#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r27 h ASP 30 N 0.00 0.21 -0.49 6.15 3.32 -2.10 -1.92 116.42 121.60 1r27 h ASP 30 Ca 0.00 0.02 0.14 0.00 0.02 0.00 0.00 57.03 57.21 1r27 h ASP 30 Cb 0.00 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1r27 h ASP 30 CO 0.00 0.09 0.38 4.11 -1.72 0.00 0.00 179.24 182.10 1r27 h TRP 31 N 0.21 0.00 -0.25 4.55 5.08 -2.09 -1.31 115.95 122.14 1r27 h TRP 31 Ca 0.41 0.00 0.07 0.00 1.08 0.00 0.00 58.89 60.46 1r27 h TRP 31 Cb 1.29 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.44 1r27 h TRP 31 CO -0.00 0.00 0.29 0.93 -1.28 0.00 0.00 178.44 178.38 1r27 h GLU 32 N 0.00 0.00 0.00 0.12 5.08 -1.83 -1.39 114.58 116.56 1r27 h GLU 32 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1r27 h GLU 32 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1r27 h GLU 32 CO -0.00 0.00 0.00 -0.44 -1.00 0.00 0.00 179.01 177.57 1r27 h ASP 33 N 0.00 0.00 0.48 1.42 3.32 -1.46 -3.08 116.42 117.10 1r27 h ASP 33 Ca 0.12 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1r27 h ASP 33 Cb 0.69 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 1r27 h ASP 33 CO -0.00 0.00 -0.28 1.23 -1.72 0.00 0.00 179.24 178.47 1r27 h GLY 34 N 0.25 -0.76 1.86 2.75 0.00 -1.47 -0.28 103.07 105.42 1r27 h GLY 34 Ca 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.57 1r27 h GLY 34 CO 0.00 -0.28 -0.28 -0.97 0.00 0.00 0.00 176.54 175.01 1r27 h TYR 35 N -0.72 0.19 -0.56 5.60 0.05 -1.77 -2.69 116.97 117.08 1r27 h TYR 35 Ca -0.06 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 1r27 h TYR 35 Cb 0.58 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 1r27 h TYR 35 CO -0.09 0.44 0.28 0.00 -1.05 0.00 0.00 178.16 177.74 1r27 h ARG 36 N 0.15 0.79 -0.44 4.88 3.08 -1.48 -2.58 114.38 118.78 1r27 h ARG 36 Ca 0.02 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1r27 h ARG 36 Cb 0.58 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.47 1r27 h ARG 36 CO 0.04 0.64 0.12 0.37 -1.07 0.00 0.00 179.97 180.07 1r27 h GLN 37 N 0.75 0.66 -0.88 0.04 4.15 -0.74 -2.72 115.11 116.36 1r27 h GLN 37 Ca 0.19 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.49 1r27 h GLN 37 Cb 0.10 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 1r27 h GLN 37 CO -0.03 0.59 0.50 -0.09 -1.93 0.00 0.00 178.83 177.88 1r27 h ARG 38 N 0.64 1.22 -0.11 1.69 9.65 -1.18 -2.97 114.38 123.32 1r27 h ARG 38 Ca 0.15 -0.13 -0.15 0.00 -1.10 0.00 0.00 59.98 58.75 1r27 h ARG 38 Cb 0.23 -0.25 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 1r27 h ARG 38 CO -0.00 0.88 -0.58 2.35 2.80 0.00 0.00 179.97 185.41 1r27 h TRP 39 N 1.23 0.45 -3.64 2.20 2.91 -1.32 -3.45 115.95 114.32 1r27 h TRP 39 Ca 0.31 -0.17 -0.56 0.00 1.13 0.00 0.00 58.89 59.61 1r27 h TRP 39 Cb -0.01 -0.08 0.12 0.00 -0.51 0.00 0.00 29.16 28.68 1r27 h TRP 39 CO 0.01 0.85 0.58 1.04 -1.03 0.00 0.00 178.44 179.89 1r27 n GLN 40 N -3.91 2.16 -4.12 2.65 6.02 -1.11 -5.01 117.38 114.07 1r27 n GLN 40 Ca -0.03 0.76 -0.12 0.00 -0.01 0.00 0.00 57.00 57.61 1r27 n GLN 40 Cb 0.61 -2.47 -0.07 0.00 1.02 0.00 0.00 30.24 29.33 1r27 n GLN 40 CO 0.00 0.00 0.00 -3.38 -1.01 0.00 0.00 177.06 172.67 1r27 s HIS 41 N -1.16 0.89 0.01 1.08 -3.43 -1.26 -4.97 115.29 106.43 1r27 s HIS 41 Ca 0.59 -1.14 -0.10 0.00 -0.80 0.00 0.00 55.06 53.61 1r27 s HIS 41 Cb -0.50 -0.23 -0.31 0.00 -1.43 0.00 0.00 32.58 30.10 1r27 s HIS 41 CO 0.60 -0.84 0.89 -0.44 -2.00 0.00 0.00 174.74 172.94 1r27 h ASP 42 N 2.39 0.61 -4.56 7.38 3.32 -1.38 -3.49 116.42 120.70 1r27 h ASP 42 Ca -0.31 -0.77 0.25 0.00 0.02 0.00 0.00 57.03 56.22 1r27 h ASP 42 Cb 1.25 -0.20 -0.17 0.00 0.22 0.00 0.00 39.33 40.43 1r27 h ASP 42 CO 0.44 1.62 0.77 -1.59 -1.72 0.00 0.00 179.24 178.76 1r27 s LYS 43 N -2.61 0.40 -0.04 3.56 -2.85 -1.14 -5.02 119.74 112.05 1r27 s LYS 43 Ca -0.10 -0.17 0.07 0.00 -1.00 0.00 0.00 55.97 54.77 1r27 s LYS 43 Cb 0.06 0.17 -0.02 0.00 -2.06 0.00 0.00 37.83 35.98 1r27 s LYS 43 CO 0.89 -0.18 -0.25 0.42 0.10 0.00 0.00 175.35 176.33 1r27 s ILE 44 N -2.52 2.04 0.08 3.79 1.01 -1.26 -1.36 121.20 122.98 1r27 s ILE 44 Ca 0.10 -1.09 0.07 0.00 0.00 0.00 0.00 60.65 59.73 1r27 s ILE 44 Cb -0.00 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.73 1r27 s ILE 44 CO -0.05 0.57 -0.20 -0.69 0.00 0.00 0.00 174.94 174.58 1r27 s VAL 45 N -0.41 1.60 -0.08 2.92 1.01 -0.26 -4.91 120.40 120.27 1r27 s VAL 45 Ca 0.04 -1.37 -0.18 0.00 0.00 0.00 0.00 61.98 60.47 1r27 s VAL 45 Cb -0.12 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 1r27 s VAL 45 CO 0.01 0.01 0.48 -0.60 0.00 0.00 0.00 175.10 175.01 1r27 s ARG 46 N -1.61 4.27 0.35 2.72 3.52 -1.26 -0.18 118.95 126.76 1r27 s ARG 46 Ca 0.06 0.49 -0.11 0.00 -0.13 0.00 0.00 55.73 56.03 1r27 s ARG 46 Cb -0.09 -3.38 0.03 0.00 -1.56 0.00 0.00 34.95 29.94 1r27 s ARG 46 CO 0.03 0.28 0.65 0.45 -0.81 0.00 0.00 175.30 175.90 1r27 s SER 47 N 0.20 0.29 0.00 -2.12 0.15 -1.02 -3.54 113.70 107.66 1r27 s SER 47 Ca 0.26 -1.20 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1r27 s SER 47 Cb -0.16 0.76 0.00 0.00 -1.71 0.00 0.00 66.02 64.91 1r27 s SER 47 CO 0.12 -1.48 0.00 1.07 1.20 0.00 0.00 173.24 174.15 1r27 n THR 48 N -0.52 0.00 -4.09 6.45 5.66 -1.19 -0.53 114.28 120.07 1r27 n THR 48 Ca -0.04 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.62 1r27 n THR 48 Cb 0.61 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.23 1r27 n THR 48 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1r27 s HIS 49 N -2.33 2.82 -1.41 1.09 3.76 -1.26 -4.78 115.29 113.17 1r27 s HIS 49 Ca 0.00 -1.55 -0.08 0.00 -0.15 0.00 0.00 55.06 53.28 1r27 s HIS 49 Cb 0.00 -1.95 -0.02 0.00 1.11 0.00 0.00 32.58 31.72 1r27 s HIS 49 CO 0.00 -0.77 2.79 0.41 -0.85 0.00 0.00 174.74 176.32 1r27 n GLY 50 N 4.65 4.53 3.24 -2.22 0.00 -1.26 -4.84 105.19 109.29 1r27 n GLY 50 Ca -0.20 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 43.90 1r27 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 s VAL 51 N 0.84 1.51 -1.32 1.61 0.11 -1.26 -4.88 120.40 117.02 1r27 s VAL 51 Ca 0.64 -1.37 -0.17 0.00 -2.93 0.00 0.00 61.98 58.15 1r27 s VAL 51 Cb 0.19 -1.38 0.07 0.00 -1.53 0.00 0.00 36.38 33.74 1r27 s VAL 51 CO -0.07 -0.03 1.79 -3.20 -3.33 0.00 0.00 175.10 170.25 1r27 n ASN 52 N 1.36 4.81 0.00 3.54 5.15 -1.26 -4.46 115.26 124.41 1r27 n ASN 52 Ca -0.19 -2.92 0.00 0.00 -0.60 0.00 0.00 54.58 50.87 1r27 n ASN 52 Cb 0.54 -1.72 0.00 0.00 -0.53 0.00 0.00 39.78 38.06 1r27 n ASN 52 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r27 n THR 54 N -1.48 0.00 0.17 0.00 -2.24 -1.26 -4.80 114.28 104.67 1r27 n THR 54 Ca 0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1r27 n THR 54 Cb 0.04 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.20 1r27 n THR 54 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1r27 h GLY 55 N 0.00 -0.40 -6.26 3.38 0.00 -1.95 -3.41 103.07 94.43 1r27 h GLY 55 Ca 0.00 0.16 -0.44 0.00 0.00 0.00 0.00 47.33 47.05 1r27 h GLY 55 CO 0.00 -0.15 -0.90 -1.26 0.00 0.00 0.00 176.54 174.22 1r27 n SER 56 N -5.27 -3.21 -4.81 0.19 2.88 -1.26 -4.95 113.62 97.20 1r27 n SER 56 Ca -0.09 -0.97 -0.36 0.00 -1.33 0.00 0.00 58.87 56.11 1r27 n SER 56 Cb 0.18 -3.45 -0.07 0.00 -0.75 0.00 0.00 64.21 60.12 1r27 n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1r27 s SER 58 N -0.38 6.94 0.25 0.00 0.15 -1.26 -4.22 113.70 115.18 1r27 s SER 58 Ca 0.12 1.12 0.09 0.00 0.70 0.00 0.00 55.95 57.98 1r27 s SER 58 Cb -0.12 -2.35 -0.05 0.00 -1.71 0.00 0.00 66.02 61.79 1r27 s SER 58 CO 0.01 0.10 -0.14 0.26 1.20 0.00 0.00 173.24 174.67 1r27 s TRP 59 N -0.13 1.95 -0.27 3.44 0.52 0.31 -1.62 118.94 123.14 1r27 s TRP 59 Ca 0.30 -0.53 -0.12 0.00 0.02 0.00 0.00 56.10 55.78 1r27 s TRP 59 Cb -0.18 -0.94 -0.05 0.00 -1.15 0.00 0.00 33.47 31.15 1r27 s TRP 59 CO 0.16 0.45 0.24 0.15 0.02 0.00 0.00 176.95 177.98 1r27 s LYS 60 N -3.62 3.98 -0.31 4.98 1.02 0.15 -2.42 119.74 123.52 1r27 s LYS 60 Ca 0.26 -0.21 -0.10 0.00 0.02 0.00 0.00 55.97 55.95 1r27 s LYS 60 Cb -0.01 -3.65 -0.01 0.00 -0.52 0.00 0.00 37.83 33.64 1r27 s LYS 60 CO 0.11 -0.19 0.15 0.42 -0.92 0.00 0.00 175.35 174.92 1r27 s ILE 61 N 1.78 4.65 -0.07 2.17 1.09 0.75 -2.14 121.20 129.43 1r27 s ILE 61 Ca 0.09 -0.36 -0.22 0.00 -1.10 0.00 0.00 60.65 59.06 1r27 s ILE 61 Cb -0.16 -3.35 -0.04 0.00 -1.06 0.00 0.00 42.46 37.85 1r27 s ILE 61 CO 0.10 0.09 0.62 -0.31 -0.10 0.00 0.00 174.94 175.35 1r27 s TYR 62 N 1.63 3.58 -0.11 3.97 2.02 -0.55 -1.11 117.35 126.79 1r27 s TYR 62 Ca 0.05 1.15 0.03 0.00 -0.37 0.00 0.00 57.07 57.93 1r27 s TYR 62 Cb -0.17 -2.70 -0.00 0.00 -0.40 0.00 0.00 41.96 38.68 1r27 s TYR 62 CO 0.06 0.16 -0.21 0.08 -1.57 0.00 0.00 175.55 174.07 1r27 s VAL 63 N 0.55 2.30 -0.07 0.71 1.01 -0.46 -0.92 120.40 123.52 1r27 s VAL 63 Ca 0.33 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1r27 s VAL 63 Cb -0.17 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.33 1r27 s VAL 63 CO 0.16 0.55 -0.08 -0.54 0.00 0.00 0.00 175.10 175.19 1r27 s LYS 64 N 0.32 1.30 -1.52 2.72 1.02 -0.06 -0.85 119.74 122.68 1r27 s LYS 64 Ca -0.16 -0.24 -0.13 0.00 0.02 0.00 0.00 55.97 55.45 1r27 s LYS 64 Cb -0.17 -1.22 0.08 0.00 -0.52 0.00 0.00 37.83 35.99 1r27 s LYS 64 CO 0.08 -0.09 0.97 0.09 -0.92 0.00 0.00 175.35 175.48 1r27 n ASN 65 N 4.20 -4.55 0.00 2.83 5.03 -1.26 -1.45 115.26 120.06 1r27 n ASN 65 Ca -0.20 -0.78 0.00 0.00 0.87 0.00 0.00 54.58 54.46 1r27 n ASN 65 Cb 0.51 -3.90 0.00 0.00 -1.02 0.00 0.00 39.78 35.37 1r27 n ASN 65 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1r27 n GLY 66 N -1.69 0.34 3.20 7.41 0.00 -1.26 -5.01 105.19 108.18 1r27 n GLY 66 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1r27 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r27 s LEU 67 N 0.00 2.16 0.09 0.99 1.43 -0.53 -4.98 118.68 117.84 1r27 s LEU 67 Ca 0.00 -0.48 -0.31 0.00 -1.03 0.00 0.00 54.13 52.31 1r27 s LEU 67 Cb 0.00 -0.83 -0.06 0.00 0.03 0.00 0.00 46.19 45.33 1r27 s LEU 67 CO 0.00 0.12 1.22 -0.69 0.23 0.00 0.00 176.35 177.22 1r27 s VAL 68 N -0.78 3.86 -0.10 -1.59 1.01 -1.26 -0.88 120.40 120.67 1r27 s VAL 68 Ca 0.05 1.38 0.06 0.00 0.00 0.00 0.00 61.98 63.48 1r27 s VAL 68 Cb -0.08 -3.88 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1r27 s VAL 68 CO 0.01 0.13 -0.00 0.35 0.00 0.00 0.00 175.10 175.59 1r27 n THR 69 N 3.63 0.64 -3.84 3.92 -2.24 -0.10 -4.92 114.28 111.37 1r27 n THR 69 Ca 0.08 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1r27 n THR 69 Cb 0.46 -0.80 0.01 0.00 -2.10 0.00 0.00 70.33 67.89 1r27 n THR 69 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1r27 s TRP 70 N -2.22 0.00 0.02 4.78 -2.14 -1.25 -5.02 118.94 113.10 1r27 s TRP 70 Ca -0.07 -0.20 -0.04 0.00 2.66 0.00 0.00 56.10 58.45 1r27 s TRP 70 Cb 0.03 0.60 -0.01 0.00 -3.10 0.00 0.00 33.47 30.99 1r27 s TRP 70 CO 0.35 -0.47 0.05 -1.83 -2.66 0.00 0.00 176.95 172.38 1r27 s GLU 71 N -2.27 0.42 0.03 3.25 1.03 -1.26 -1.49 118.70 118.41 1r27 s GLU 71 Ca 0.22 -0.56 0.00 0.00 0.03 0.00 0.00 54.97 54.66 1r27 s GLU 71 Cb 0.00 0.16 -0.02 0.00 -0.80 0.00 0.00 34.13 33.47 1r27 s GLU 71 CO 0.00 -0.09 -0.04 0.95 -1.33 0.00 0.00 175.26 174.75 1r27 s THR 72 N -1.63 0.23 0.55 1.83 -4.23 -0.91 -4.97 115.64 106.51 1r27 s THR 72 Ca -0.14 -1.13 -0.20 0.00 -1.18 0.00 0.00 61.69 59.04 1r27 s THR 72 Cb -0.08 -0.59 -0.05 0.00 1.34 0.00 0.00 72.50 73.12 1r27 s THR 72 CO -0.01 -0.58 1.23 -1.10 -0.54 0.00 0.00 174.62 173.63 1r27 s GLN 73 N -1.99 3.22 0.44 3.99 1.11 -1.26 0.33 119.66 125.50 1r27 s GLN 73 Ca -0.10 1.90 -0.21 0.00 0.01 0.00 0.00 55.36 56.96 1r27 s GLN 73 Cb -0.06 -2.12 -0.11 0.00 -1.01 0.00 0.00 33.01 29.70 1r27 s GLN 73 CO -0.02 -1.03 0.96 -0.65 0.01 0.00 0.00 175.29 174.56 1r27 s GLN 74 N -3.07 4.18 0.00 2.91 -1.52 -0.64 -4.61 119.66 116.90 1r27 s GLN 74 Ca 0.73 1.14 0.00 0.00 -1.95 0.00 0.00 55.36 55.27 1r27 s GLN 74 Cb -0.32 -2.17 0.00 0.00 -0.22 0.00 0.00 33.01 30.30 1r27 s GLN 74 CO 0.36 -0.08 0.70 0.25 -0.25 0.00 0.00 175.29 176.27 1r27 n THR 75 N -0.70 0.49 -0.17 -0.19 -2.24 -1.26 -4.77 114.28 105.44 1r27 n THR 75 Ca 0.07 -0.58 -0.11 0.00 -2.27 0.00 0.00 64.05 61.15 1r27 n THR 75 Cb 0.54 0.85 0.10 0.00 -2.10 0.00 0.00 70.33 69.72 1r27 n THR 75 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1r27 n ASP 76 N -0.24 3.41 -4.76 3.42 5.75 -1.26 -4.80 116.55 118.06 1r27 n ASP 76 Ca 0.00 -2.82 -0.37 0.00 -0.01 0.00 0.00 54.79 51.58 1r27 n ASP 76 Cb 0.26 -0.67 0.01 0.00 -1.03 0.00 0.00 41.12 39.69 1r27 n ASP 76 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1r27 s TYR 77 N -1.76 2.60 0.22 2.11 2.02 -1.26 -4.72 117.35 116.56 1r27 s TYR 77 Ca 0.30 1.47 -0.32 0.00 -0.37 0.00 0.00 57.07 58.16 1r27 s TYR 77 Cb 0.25 -3.55 -0.12 0.00 -0.40 0.00 0.00 41.96 38.14 1r27 s TYR 77 CO 0.06 -2.10 1.70 -2.30 -1.57 0.00 0.00 175.55 171.34 1r27 n PRO 78 N -0.82 2.77 -2.23 -1.71 -0.02 -1.26 -4.90 135.00 126.83 1r27 n PRO 78 Ca 0.09 1.00 -0.36 0.00 -2.02 0.00 0.00 63.50 62.20 1r27 n PRO 78 Cb 0.47 -2.83 -0.00 0.00 -0.02 0.00 0.00 33.50 31.12 1r27 n PRO 78 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1r27 s ARG 79 N 0.85 3.58 0.91 -0.52 0.52 -1.26 -4.88 118.95 118.14 1r27 s ARG 79 Ca 0.73 1.75 -0.14 0.00 -0.52 0.00 0.00 55.73 57.55 1r27 s ARG 79 Cb -0.50 -2.27 0.16 0.00 0.52 0.00 0.00 34.95 32.86 1r27 s ARG 79 CO 0.35 -0.69 1.27 0.95 0.02 0.00 0.00 175.30 177.20 1r27 s THR 80 N -1.60 2.00 0.58 0.02 -4.23 -1.26 -4.99 115.64 106.16 1r27 s THR 80 Ca 0.67 -0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 61.00 1r27 s THR 80 Cb -0.28 -3.00 -0.08 0.00 1.34 0.00 0.00 72.50 70.48 1r27 s THR 80 CO 0.33 0.00 0.53 0.54 -0.54 0.00 0.00 174.62 175.48 1r27 n ARG 81 N -3.60 0.50 -0.12 3.99 1.74 -1.26 -4.82 116.66 113.09 1r27 n ARG 81 Ca 0.13 0.20 0.20 0.00 -0.77 0.00 0.00 57.85 57.60 1r27 n ARG 81 Cb 0.60 -1.71 0.61 0.00 -1.02 0.00 0.00 32.46 30.93 1r27 n ARG 81 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1r27 h PRO 82 N 0.21 0.20 -0.03 5.56 0.11 -1.98 -0.48 132.00 135.59 1r27 h PRO 82 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1r27 h PRO 82 Cb 1.40 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.46 1r27 h PRO 82 CO 0.47 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 1r27 n ASP 83 N -4.41 0.31 -4.30 -2.05 5.75 -1.26 -4.82 116.55 105.77 1r27 n ASP 83 Ca 0.14 -1.46 -0.25 0.00 -0.01 0.00 0.00 54.79 53.22 1r27 n ASP 83 Cb 0.65 -0.02 -0.13 0.00 -1.03 0.00 0.00 41.12 40.59 1r27 n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1r27 s LEU 84 N -1.60 2.29 0.64 -2.12 1.43 -0.19 -5.10 118.68 114.03 1r27 s LEU 84 Ca 0.30 -0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 1r27 s LEU 84 Cb 0.14 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.40 1r27 s LEU 84 CO 0.23 0.09 1.16 -2.84 0.23 0.00 0.00 176.35 175.22 1r27 s PRO 85 N -1.86 2.78 0.69 1.29 0.02 -1.26 -4.67 135.00 131.98 1r27 s PRO 85 Ca 0.08 1.62 -0.07 0.00 0.02 0.00 0.00 61.00 62.65 1r27 s PRO 85 Cb -0.10 -1.93 0.05 0.00 0.02 0.00 0.00 34.50 32.54 1r27 s PRO 85 CO 0.04 -1.31 1.00 -0.80 -0.33 0.00 0.00 177.00 175.61 1r27 s ASN 86 N -2.08 4.98 0.11 2.53 0.01 -1.26 -4.70 114.94 114.53 1r27 s ASN 86 Ca 0.72 0.55 -0.02 0.00 -0.71 0.00 0.00 52.86 53.40 1r27 s ASN 86 Cb -0.25 -1.26 -0.17 0.00 0.41 0.00 0.00 41.25 39.97 1r27 s ASN 86 CO 0.38 -1.49 1.24 0.45 -1.51 0.00 0.00 177.10 176.17 1r27 h HIS 87 N -0.53 0.44 -3.22 2.20 3.86 -1.94 -3.47 115.15 112.48 1r27 h HIS 87 Ca -0.45 -0.28 -0.58 0.00 -1.16 0.00 0.00 60.37 57.90 1r27 h HIS 87 Cb 1.30 -0.03 0.14 0.00 1.06 0.00 0.00 27.41 29.88 1r27 h HIS 87 CO 0.37 1.16 0.17 -0.85 0.86 0.00 0.00 177.93 179.64 1r27 n GLU 88 N -3.59 1.29 0.00 2.45 -0.00 -1.26 -2.78 120.64 116.74 1r27 n GLU 88 Ca -0.06 0.47 0.12 0.00 -0.00 0.00 0.00 57.16 57.69 1r27 n GLU 88 Cb 0.93 -2.09 0.17 0.00 -0.00 0.00 0.00 31.44 30.45 1r27 n GLU 88 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.13 176.78 1r27 n PRO 89 N -0.11 1.32 0.00 3.44 -0.04 -1.26 -5.13 135.00 133.22 1r27 n PRO 89 Ca 0.10 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.57 1r27 n PRO 89 Cb 0.41 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1r27 n PRO 89 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1r27 n ARG 90 N 0.02 0.00 0.00 0.54 1.74 -1.12 -4.58 116.66 113.26 1r27 n ARG 90 Ca 0.12 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1r27 n ARG 90 Cb 0.44 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.88 1r27 n ARG 90 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r27 n GLY 91 N 0.00 -0.11 3.71 -0.13 0.00 -1.26 -4.92 105.19 102.48 1r27 n GLY 91 Ca 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 46.02 44.12 1r27 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r27 h PRO 93 N 2.00 0.28 0.27 0.00 0.13 -1.99 -2.16 132.00 130.52 1r27 h PRO 93 Ca -0.24 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.81 1r27 h PRO 93 Cb 1.23 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1r27 h PRO 93 CO 0.26 0.40 -0.13 0.00 -0.23 0.00 0.00 178.00 178.30 1r27 h ARG 94 N 0.26 -0.34 -0.69 0.86 -0.00 -1.96 -2.99 114.38 109.51 1r27 h ARG 94 Ca 0.05 0.02 0.08 0.00 -0.50 0.00 0.00 59.98 59.64 1r27 h ARG 94 Cb 0.36 0.08 -0.04 0.00 0.00 0.00 0.00 29.97 30.37 1r27 h ARG 94 CO 0.02 -0.03 0.46 0.78 0.00 0.00 0.00 179.97 181.20 1r27 h GLY 95 N -0.69 0.86 2.00 0.04 0.00 -1.95 0.26 103.07 103.59 1r27 h GLY 95 Ca -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1r27 h GLY 95 CO 0.06 0.18 -0.04 0.00 0.00 0.00 0.00 176.54 176.74 1r27 h ALA 96 N 1.64 1.13 -0.10 3.60 0.00 -1.31 -2.45 119.26 121.77 1r27 h ALA 96 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1r27 h ALA 96 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1r27 h ALA 96 CO -0.10 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.06 1r27 n SER 97 N -3.32 2.84 -0.31 0.00 3.41 0.07 -4.55 113.62 111.76 1r27 n SER 97 Ca -0.02 -1.92 0.04 0.00 -0.26 0.00 0.00 58.87 56.71 1r27 n SER 97 Cb 0.18 -0.05 0.18 0.00 -0.26 0.00 0.00 64.21 64.26 1r27 n SER 97 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1r27 h TYR 98 N 4.26 0.92 -1.06 7.33 3.20 -1.31 -1.83 116.97 128.48 1r27 h TYR 98 Ca 0.00 0.03 0.31 0.00 3.14 0.00 0.00 58.73 62.21 1r27 h TYR 98 Cb 0.91 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 1r27 h TYR 98 CO 0.05 0.37 0.83 0.66 -1.64 0.00 0.00 178.16 178.43 1r27 h SER 99 N 0.84 0.00 -0.91 -2.11 4.64 -1.82 0.83 113.55 115.02 1r27 h SER 99 Ca 0.42 0.00 0.13 0.00 -0.47 0.00 0.00 61.79 61.87 1r27 h SER 99 Cb 0.39 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.41 1r27 h SER 99 CO -0.25 0.00 0.58 -0.25 -0.87 0.00 0.00 176.83 176.04 1r27 h TRP 100 N 0.00 0.91 -0.19 4.77 7.01 -1.68 -2.56 115.95 124.22 1r27 h TRP 100 Ca 0.50 0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.49 1r27 h TRP 100 Cb 2.15 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 28.91 1r27 h TRP 100 CO 0.00 0.36 -0.07 1.88 -2.79 0.00 0.00 178.44 177.82 1r27 h TYR 101 N 0.80 0.30 -0.72 2.65 0.05 -1.01 -3.13 116.97 115.91 1r27 h TYR 101 Ca 0.45 -0.03 0.13 0.00 0.05 0.00 0.00 58.73 59.33 1r27 h TYR 101 Cb 0.60 -0.09 -0.09 0.00 1.01 0.00 0.00 36.73 38.15 1r27 h TYR 101 CO -0.00 0.37 0.27 -0.07 -1.05 0.00 0.00 178.16 177.68 1r27 h LEU 102 N 0.29 0.24 -2.81 3.88 4.07 -1.60 -3.12 115.31 116.26 1r27 h LEU 102 Ca 0.06 0.11 -0.02 0.00 0.08 0.00 0.00 57.88 58.11 1r27 h LEU 102 Cb 0.31 0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.10 1r27 h LEU 102 CO 0.01 0.10 -0.31 -1.22 -1.08 0.00 0.00 178.44 175.94 1r27 n TYR 103 N -5.02 0.00 -1.16 1.13 4.01 -1.25 -4.97 117.16 109.90 1r27 n TYR 103 Ca 0.13 -0.88 -0.29 0.00 -0.16 0.00 0.00 57.90 56.70 1r27 n TYR 103 Cb 0.39 -0.15 0.16 0.00 -0.31 0.00 0.00 39.34 39.42 1r27 n TYR 103 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 1r27 s SER 104 N -2.52 3.09 0.00 7.72 1.04 -1.18 -4.92 113.70 116.92 1r27 s SER 104 Ca 0.27 1.40 0.19 0.00 0.48 0.00 0.00 55.95 58.29 1r27 s SER 104 Cb 0.26 -2.07 0.93 0.00 0.10 0.00 0.00 66.02 65.24 1r27 s SER 104 CO -0.02 -2.87 1.61 0.00 0.98 0.00 0.00 173.24 172.94 1r27 n ALA 105 N -4.02 1.98 -0.17 5.32 0.00 -1.26 -2.49 120.51 119.87 1r27 n ALA 105 Ca 0.06 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1r27 n ALA 105 Cb 0.56 -1.31 0.21 0.00 0.00 0.00 0.00 19.45 18.90 1r27 n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1r27 n ASN 106 N -1.35 3.26 -4.76 0.00 4.05 -1.26 -5.00 115.26 110.20 1r27 n ASN 106 Ca 0.08 -1.97 -0.41 0.00 0.45 0.00 0.00 54.58 52.73 1r27 n ASN 106 Cb 0.18 -0.31 -0.03 0.00 1.23 0.00 0.00 39.78 40.85 1r27 n ASN 106 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 177.26 173.61 1r27 s ARG 107 N -1.03 4.47 -0.29 1.20 6.06 -1.04 -2.03 118.95 126.28 1r27 s ARG 107 Ca 0.32 2.05 -0.21 0.00 -2.50 0.00 0.00 55.73 55.39 1r27 s ARG 107 Cb 0.17 -3.12 -0.01 0.00 0.06 0.00 0.00 34.95 32.05 1r27 s ARG 107 CO 0.23 -0.03 0.69 -0.51 -2.50 0.00 0.00 175.30 173.17 1r27 s LEU 108 N -1.60 4.11 -0.15 -0.88 1.43 -0.39 -4.86 118.68 116.34 1r27 s LEU 108 Ca 0.47 0.57 0.15 0.00 -1.03 0.00 0.00 54.13 54.29 1r27 s LEU 108 Cb -0.37 -2.92 -0.21 0.00 0.03 0.00 0.00 46.19 42.73 1r27 s LEU 108 CO 0.48 -0.51 0.09 0.29 0.23 0.00 0.00 176.35 176.93 1r27 n LYS 109 N 5.96 1.26 -4.11 1.70 5.02 -1.26 -4.73 118.16 122.01 1r27 n LYS 109 Ca 0.01 -0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.19 1r27 n LYS 109 Cb 0.49 -1.42 -0.10 0.00 -0.02 0.00 0.00 35.03 33.98 1r27 n LYS 109 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1r27 s TYR 110 N -2.48 0.62 0.32 2.13 2.02 -1.26 -1.72 117.35 116.97 1r27 s TYR 110 Ca -0.08 -0.97 -0.29 0.00 -0.37 0.00 0.00 57.07 55.36 1r27 s TYR 110 Cb 0.06 -0.41 -0.11 0.00 -0.40 0.00 0.00 41.96 41.09 1r27 s TYR 110 CO 0.67 -0.29 1.49 -2.14 -1.57 0.00 0.00 175.55 173.71 1r27 s PRO 111 N -3.64 4.18 0.10 -1.71 0.02 -1.26 -4.47 135.00 128.22 1r27 s PRO 111 Ca 0.06 2.47 0.09 0.00 0.02 0.00 0.00 61.00 63.65 1r27 s PRO 111 Cb 0.05 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.51 1r27 s PRO 111 CO -0.07 -0.50 -0.24 -1.64 -0.33 0.00 0.00 177.00 174.22 1r27 s MET 112 N -1.17 1.34 0.02 5.54 -1.94 0.02 -0.71 119.30 122.40 1r27 s MET 112 Ca 0.57 -1.22 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 1r27 s MET 112 Cb -0.45 -1.68 -0.02 0.00 2.01 0.00 0.00 34.83 34.68 1r27 s MET 112 CO 0.53 0.40 -0.04 1.41 -0.01 0.00 0.00 175.02 177.31 1r27 s MET 113 N -1.84 0.34 0.20 2.03 1.75 -0.11 -1.22 119.30 120.45 1r27 s MET 113 Ca 0.10 -0.61 -0.31 0.00 -1.25 0.00 0.00 55.69 53.62 1r27 s MET 113 Cb -0.10 0.03 -0.10 0.00 2.84 0.00 0.00 34.83 37.50 1r27 s MET 113 CO 0.05 -0.03 1.51 0.50 -0.65 0.00 0.00 175.02 176.40 1r27 s ARG 114 N -1.43 4.24 0.16 4.11 6.06 -0.63 -0.74 118.95 130.72 1r27 s ARG 114 Ca -0.14 2.33 -0.22 0.00 -2.50 0.00 0.00 55.73 55.20 1r27 s ARG 114 Cb -0.10 -3.14 0.06 0.00 0.06 0.00 0.00 34.95 31.83 1r27 s ARG 114 CO -0.01 -0.53 1.62 -0.22 -2.50 0.00 0.00 175.30 173.66 1r27 h LYS 115 N 6.07 -0.22 -0.94 5.12 3.64 -1.14 -0.37 116.57 128.73 1r27 h LYS 115 Ca -0.44 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.01 1r27 h LYS 115 Cb 1.21 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.02 1r27 h LYS 115 CO 0.86 -0.15 0.60 -0.09 -2.27 0.00 0.00 179.45 178.40 1r27 h ARG 116 N -0.23 1.07 -0.56 1.90 9.65 -1.91 -0.62 114.38 123.69 1r27 h ARG 116 Ca 0.16 -0.06 -0.10 0.00 -1.10 0.00 0.00 59.98 58.88 1r27 h ARG 116 Cb 0.49 -0.24 -0.02 0.00 -1.39 0.00 0.00 29.97 28.80 1r27 h ARG 116 CO -0.46 0.71 -0.04 1.25 2.80 0.00 0.00 179.97 184.23 1r27 h LEU 117 N 1.11 0.99 -0.59 3.80 5.85 -1.68 -2.20 115.31 122.58 1r27 h LEU 117 Ca 0.40 -0.29 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1r27 h LEU 117 Cb 0.14 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1r27 h LEU 117 CO -0.16 1.07 -0.01 -0.03 -0.34 0.00 0.00 178.44 178.96 1r27 h MET 118 N 0.91 1.05 0.21 1.25 4.05 -0.45 0.59 114.93 122.55 1r27 h MET 118 Ca 0.16 -0.34 -0.00 0.00 -0.28 0.00 0.00 59.70 59.23 1r27 h MET 118 Cb 0.59 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1r27 h MET 118 CO 0.04 1.04 -0.17 -0.22 0.23 0.00 0.00 176.91 177.83 1r27 h LYS 119 N 0.94 -0.38 -0.75 0.39 3.64 -0.94 -0.57 116.57 118.91 1r27 h LYS 119 Ca 0.17 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1r27 h LYS 119 Cb 0.57 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.45 1r27 h LYS 119 CO 0.03 -0.25 0.24 0.52 -2.27 0.00 0.00 179.45 177.72 1r27 h MET 120 N -0.39 1.17 -0.64 1.90 2.86 -1.33 -0.97 114.93 117.53 1r27 h MET 120 Ca -0.01 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.39 1r27 h MET 120 Cb 0.35 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 1r27 h MET 120 CO -0.01 0.99 0.42 2.35 1.06 0.00 0.00 176.91 181.72 1r27 h TRP 121 N 1.12 0.81 -0.13 -0.22 2.91 -0.62 0.15 115.95 119.98 1r27 h TRP 121 Ca 0.24 0.02 -0.19 0.00 1.13 0.00 0.00 58.89 60.09 1r27 h TRP 121 Cb 0.30 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 1r27 h TRP 121 CO 0.03 0.51 -0.71 0.00 -1.03 0.00 0.00 178.44 177.24 1r27 h ARG 122 N 0.87 0.58 -0.23 2.65 3.08 -0.89 -0.87 114.38 119.57 1r27 h ARG 122 Ca 0.23 -0.45 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 1r27 h ARG 122 Cb -0.09 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1r27 h ARG 122 CO -0.05 1.08 0.03 0.93 -1.07 0.00 0.00 179.97 180.89 1r27 h GLU 123 N 0.40 0.39 -0.72 0.04 5.08 -0.93 -2.46 114.58 116.39 1r27 h GLU 123 Ca -0.03 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1r27 h GLU 123 Cb 1.31 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 1r27 h GLU 123 CO 0.13 0.54 0.47 0.00 -1.00 0.00 0.00 179.01 179.15 1r27 h ALA 124 N 0.84 0.92 -0.09 3.43 0.00 -0.67 -2.03 119.26 121.66 1r27 h ALA 124 Ca 0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1r27 h ALA 124 Cb 0.34 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1r27 h ALA 124 CO 0.01 0.31 0.05 0.87 0.00 0.00 0.00 179.25 180.49 1r27 h LYS 125 N 0.96 0.11 0.00 0.00 1.79 -0.97 0.15 116.57 118.61 1r27 h LYS 125 Ca 0.27 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 1r27 h LYS 125 Cb -0.09 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1r27 h LYS 125 CO -0.07 0.08 0.00 0.00 -1.08 0.00 0.00 179.45 178.38 1r27 h ALA 126 N 1.94 1.00 0.04 3.86 0.00 -0.89 -3.17 119.26 122.04 1r27 h ALA 126 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.60 1r27 h ALA 126 Cb -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1r27 h ALA 126 CO -0.01 0.00 -2.05 1.28 0.00 0.00 0.00 179.25 178.47 1r27 n LEU 127 N -3.07 1.60 -3.92 0.00 4.32 0.18 -4.89 117.00 111.22 1r27 n LEU 127 Ca 0.02 0.18 -0.27 0.00 -0.02 0.00 0.00 56.01 55.92 1r27 n LEU 127 Cb 0.37 -0.34 -0.17 0.00 -1.62 0.00 0.00 43.42 41.67 1r27 n LEU 127 CO 0.29 0.64 -0.45 -1.00 -1.22 0.00 0.00 177.39 175.66 1r27 s HIS 128 N -2.55 1.60 0.01 -1.77 3.76 0.28 -5.00 115.29 111.62 1r27 s HIS 128 Ca -0.16 -0.84 0.29 0.00 -0.15 0.00 0.00 55.06 54.20 1r27 s HIS 128 Cb 0.07 -1.29 1.05 0.00 1.11 0.00 0.00 32.58 33.52 1r27 s HIS 128 CO 0.77 -0.55 1.87 0.66 -0.85 0.00 0.00 174.74 176.65 1r27 h SER 129 N 8.15 0.00 -3.55 1.40 4.64 -1.87 -3.40 113.55 118.92 1r27 h SER 129 Ca -0.31 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.39 1r27 h SER 129 Cb 1.13 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.09 1r27 h SER 129 CO 0.42 0.06 0.12 -0.62 -0.87 0.00 0.00 176.83 175.95 1r27 s ASP 130 N -5.92 6.46 0.45 4.97 -1.08 -1.26 -4.95 116.67 115.33 1r27 s ASP 130 Ca 0.02 0.32 0.16 0.00 -0.52 0.00 0.00 52.55 52.54 1r27 s ASP 130 Cb 0.08 -2.32 1.10 0.00 -1.46 0.00 0.00 42.92 40.33 1r27 s ASP 130 CO 0.59 -0.49 1.96 1.55 0.52 0.00 0.00 175.17 179.30 1r27 h PRO 131 N 8.27 0.33 -0.50 4.34 0.13 -1.96 0.08 132.00 142.69 1r27 h PRO 131 Ca -0.27 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 1r27 h PRO 131 Cb 1.12 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1r27 h PRO 131 CO 0.80 0.22 0.16 0.28 -0.23 0.00 0.00 178.00 179.23 1r27 h VAL 132 N 0.34 1.23 -0.58 1.56 2.07 -1.90 0.16 116.25 119.12 1r27 h VAL 132 Ca 0.30 -0.75 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 1r27 h VAL 132 Cb 0.72 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1r27 h VAL 132 CO -0.08 0.28 0.01 -0.33 0.02 0.00 0.00 177.57 177.47 1r27 h GLU 133 N 0.68 1.01 -0.02 1.57 4.39 -1.64 -1.12 114.58 119.44 1r27 h GLU 133 Ca 0.16 -0.32 0.03 0.00 0.34 0.00 0.00 59.36 59.57 1r27 h GLU 133 Cb 0.26 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1r27 h GLU 133 CO -0.01 1.00 -0.14 0.00 -1.16 0.00 0.00 179.01 178.70 1r27 h ALA 134 N 0.98 -0.15 -0.57 3.43 0.00 -0.44 -0.81 119.26 121.71 1r27 h ALA 134 Ca 0.17 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.10 1r27 h ALA 134 Cb 0.53 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1r27 h ALA 134 CO 0.03 -0.63 0.38 2.35 0.00 0.00 0.00 179.25 181.38 1r27 h TRP 135 N -0.23 0.71 -0.31 0.00 2.91 -0.52 -2.81 115.95 115.70 1r27 h TRP 135 Ca 0.06 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.16 1r27 h TRP 135 Cb 0.30 -0.24 -0.06 0.00 -0.51 0.00 0.00 29.16 28.65 1r27 h TRP 135 CO -0.21 0.45 -0.11 0.00 -1.03 0.00 0.00 178.44 177.54 1r27 h ALA 136 N 1.21 0.17 -0.11 2.65 0.00 -0.63 -0.33 119.26 122.22 1r27 h ALA 136 Ca 0.21 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.27 1r27 h ALA 136 Cb -0.09 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1r27 h ALA 136 CO -0.05 -0.49 0.16 0.66 0.00 0.00 0.00 179.25 179.54 1r27 h SER 137 N -0.04 0.00 0.00 0.00 4.64 -0.90 -1.60 113.55 115.65 1r27 h SER 137 Ca 0.16 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.38 1r27 h SER 137 Cb 0.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 1r27 h SER 137 CO -0.35 0.00 -0.78 0.40 -0.87 0.00 0.00 176.83 175.24 1r27 h ILE 138 N 0.00 0.43 0.00 0.95 2.04 -1.02 -3.37 117.51 116.53 1r27 h ILE 138 Ca 0.05 -1.52 0.00 0.00 1.00 0.00 0.00 64.86 64.39 1r27 h ILE 138 Cb 0.38 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1r27 h ILE 138 CO -0.00 0.14 0.00 -0.29 0.00 0.00 0.00 178.15 178.00 1r27 h ILE 139 N -1.00 0.00 -0.01 -0.67 6.09 -1.06 -2.48 117.51 118.37 1r27 h ILE 139 Ca -0.14 -0.30 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1r27 h ILE 139 Cb 0.82 1.10 0.00 0.00 0.47 0.00 0.00 36.82 39.21 1r27 h ILE 139 CO -0.09 0.00 -0.14 -0.62 -3.07 0.00 0.00 178.15 174.24 1r27 n GLU 140 N -2.44 1.38 -3.45 2.19 1.02 -0.61 -4.70 120.64 114.04 1r27 n GLU 140 Ca 0.02 -0.89 -0.43 0.00 -0.02 0.00 0.00 57.16 55.84 1r27 n GLU 140 Cb 0.25 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.10 1r27 n GLU 140 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1r27 s ASP 141 N -2.23 6.02 0.28 1.62 -1.08 -0.93 -4.97 116.67 115.38 1r27 s ASP 141 Ca 0.30 -1.33 0.02 0.00 -0.52 0.00 0.00 52.55 51.02 1r27 s ASP 141 Cb 0.20 -2.13 0.69 0.00 -1.46 0.00 0.00 42.92 40.22 1r27 s ASP 141 CO 0.42 -0.60 1.66 0.00 0.52 0.00 0.00 175.17 177.17 1r27 h ALA 142 N 8.66 1.28 -0.33 3.66 0.00 -1.84 -0.41 119.26 130.28 1r27 h ALA 142 Ca -0.27 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1r27 h ALA 142 Cb 1.10 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1r27 h ALA 142 CO 0.84 -0.43 -0.20 -0.44 0.00 0.00 0.00 179.25 179.01 1r27 h ASP 143 N 0.25 0.75 -0.10 0.00 3.32 -1.93 -1.57 116.42 117.15 1r27 h ASP 143 Ca 0.54 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1r27 h ASP 143 Cb 1.06 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.40 1r27 h ASP 143 CO -0.61 1.02 0.02 0.11 -1.72 0.00 0.00 179.24 178.05 1r27 h LYS 144 N 0.49 0.15 0.28 3.56 1.57 -1.60 -1.66 116.57 119.37 1r27 h LYS 144 Ca 0.07 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1r27 h LYS 144 Cb 0.75 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 1r27 h LYS 144 CO 0.06 0.34 -0.36 0.00 -0.57 0.00 0.00 179.45 178.92 1r27 h ALA 145 N 0.81 -0.72 -0.63 3.86 0.00 -1.12 -1.59 119.26 119.85 1r27 h ALA 145 Ca 0.03 -0.10 0.14 0.00 0.00 0.00 0.00 54.91 54.98 1r27 h ALA 145 Cb 0.25 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 1r27 h ALA 145 CO 0.00 -0.95 0.44 -0.22 0.00 0.00 0.00 179.25 178.51 1r27 h LYS 146 N -0.69 0.24 0.04 0.00 3.64 -1.29 -2.65 116.57 115.86 1r27 h LYS 146 Ca -0.01 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1r27 h LYS 146 Cb 0.65 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.38 1r27 h LYS 146 CO -0.11 0.16 -0.23 1.03 -2.27 0.00 0.00 179.45 178.02 1r27 h SER 147 N 0.24 -0.68 1.13 4.20 0.87 -0.28 -2.16 113.55 116.87 1r27 h SER 147 Ca 0.31 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 1r27 h SER 147 Cb 0.86 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1r27 h SER 147 CO -0.06 -0.31 -0.58 2.19 -0.53 0.00 0.00 176.83 177.54 1r27 h PHE 148 N -0.39 0.00 -0.01 2.24 -5.15 -1.44 -3.30 116.94 108.89 1r27 h PHE 148 Ca 0.05 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.64 1r27 h PHE 148 Cb 0.45 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.61 1r27 h PHE 148 CO -0.25 0.00 -0.81 0.87 -2.00 0.00 0.00 178.31 176.12 1r27 h LYS 149 N 0.00 0.16 0.00 6.09 1.57 -1.36 -2.91 116.57 120.12 1r27 h LYS 149 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1r27 h LYS 149 Cb 0.86 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1r27 h LYS 149 CO 0.00 0.89 0.00 1.04 -0.57 0.00 0.00 179.45 180.81 1r27 n GLN 150 N -3.69 0.02 0.00 3.15 6.02 -0.82 -2.68 117.38 119.38 1r27 n GLN 150 Ca -0.03 0.03 0.14 0.00 -0.01 0.00 0.00 57.00 57.13 1r27 n GLN 150 Cb 0.76 -1.53 0.64 0.00 1.02 0.00 0.00 30.24 31.14 1r27 n GLN 150 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1r27 n ALA 151 N -1.53 2.70 -2.05 -1.58 0.00 -1.10 -4.82 120.51 112.14 1r27 n ALA 151 Ca 0.07 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.75 1r27 n ALA 151 Cb 0.34 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 1r27 n ALA 151 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1r27 s ARG 152 N -2.17 4.20 -0.15 0.00 0.52 -1.09 -1.94 118.95 118.32 1r27 s ARG 152 Ca 0.37 2.16 0.00 0.00 -0.52 0.00 0.00 55.73 57.73 1r27 s ARG 152 Cb 0.21 -3.84 0.00 0.00 0.52 0.00 0.00 34.95 31.83 1r27 s ARG 152 CO 0.40 -0.78 0.00 0.41 0.02 0.00 0.00 175.30 175.35 1r27 n GLY 153 N 4.01 0.50 2.11 -3.53 0.00 -1.00 -4.87 105.19 102.41 1r27 n GLY 153 Ca 0.16 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 1r27 n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 n ARG 154 N -2.91 2.55 -0.39 1.61 5.12 -0.82 -4.99 116.66 116.83 1r27 n ARG 154 Ca -0.01 -3.72 0.05 0.00 -1.93 0.00 0.00 57.85 52.24 1r27 n ARG 154 Cb 0.05 -1.84 -0.01 0.00 -1.16 0.00 0.00 32.46 29.50 1r27 n ARG 154 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1r27 n GLY 155 N -0.63 -1.58 0.85 -0.13 0.00 -1.26 -4.99 105.19 97.44 1r27 n GLY 155 Ca 0.27 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.10 1r27 n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r27 n GLY 156 N -1.25 0.74 3.76 -0.02 0.00 -1.26 -4.87 105.19 102.28 1r27 n GLY 156 Ca 0.00 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1r27 n GLY 156 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1r27 s PHE 157 N -2.00 3.49 0.05 1.61 0.08 -1.26 -0.54 117.98 119.42 1r27 s PHE 157 Ca 0.00 1.63 0.05 0.00 0.12 0.00 0.00 56.93 58.73 1r27 s PHE 157 Cb 0.00 -3.35 -0.02 0.00 -0.57 0.00 0.00 43.02 39.07 1r27 s PHE 157 CO 0.00 -0.79 -0.14 0.08 -0.10 0.00 0.00 175.22 174.27 1r27 s VAL 158 N -1.00 1.10 0.11 -0.44 1.01 0.08 -4.85 120.40 116.40 1r27 s VAL 158 Ca 0.46 -1.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.01 1r27 s VAL 158 Cb -0.33 -1.02 -0.08 0.00 0.00 0.00 0.00 36.38 34.95 1r27 s VAL 158 CO 0.42 -0.10 1.40 -0.60 0.00 0.00 0.00 175.10 176.22 1r27 s ARG 159 N -1.39 4.31 0.00 2.72 3.52 -1.26 -0.93 118.95 125.91 1r27 s ARG 159 Ca -0.00 2.08 0.00 0.00 -0.13 0.00 0.00 55.73 57.68 1r27 s ARG 159 Cb -0.09 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 1r27 s ARG 159 CO 0.02 -0.46 0.00 0.45 -0.81 0.00 0.00 175.30 174.50 1r27 n SER 160 N 4.07 0.38 -3.94 -2.12 2.88 0.11 -4.88 113.62 110.11 1r27 n SER 160 Ca 0.12 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.57 1r27 n SER 160 Cb 0.42 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.80 1r27 n SER 160 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1r27 s SER 161 N 0.61 0.24 0.17 -3.46 1.04 -1.26 -4.58 113.70 106.47 1r27 s SER 161 Ca 0.00 -0.73 -0.14 0.00 0.48 0.00 0.00 55.95 55.56 1r27 s SER 161 Cb 0.00 0.27 0.11 0.00 0.10 0.00 0.00 66.02 66.50 1r27 s SER 161 CO 0.00 -0.64 1.76 -0.50 0.98 0.00 0.00 173.24 174.84 1r27 h TRP 162 N 3.08 0.32 -0.78 5.02 4.06 -1.98 -1.74 115.95 123.93 1r27 h TRP 162 Ca -0.34 0.02 0.07 0.00 2.06 0.00 0.00 58.89 60.70 1r27 h TRP 162 Cb 1.18 -0.08 -0.06 0.00 -1.00 0.00 0.00 29.16 29.20 1r27 h TRP 162 CO 0.48 0.14 0.46 1.96 -3.56 0.00 0.00 178.44 177.92 1r27 h GLN 163 N 0.36 0.80 -0.08 0.49 7.50 -1.99 0.59 115.11 122.79 1r27 h GLN 163 Ca 0.20 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.28 1r27 h GLN 163 Cb 0.16 -0.18 -0.00 0.00 0.05 0.00 0.00 27.48 27.51 1r27 h GLN 163 CO -0.18 0.53 -0.04 1.49 -1.50 0.00 0.00 178.83 179.13 1r27 h GLU 164 N 0.83 0.17 -0.16 1.46 4.81 -1.84 -2.65 114.58 117.19 1r27 h GLU 164 Ca 0.35 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.40 1r27 h GLU 164 Cb 0.22 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1r27 h GLU 164 CO -0.19 0.54 -0.37 -0.39 -0.73 0.00 0.00 179.01 177.86 1r27 h VAL 165 N -0.21 1.30 -0.38 0.32 -1.51 -1.16 -2.39 116.25 112.21 1r27 h VAL 165 Ca 0.02 -1.46 -0.10 0.00 -1.23 0.00 0.00 66.70 63.93 1r27 h VAL 165 Cb 0.49 1.58 -0.02 0.00 -2.13 0.00 0.00 31.29 31.21 1r27 h VAL 165 CO 0.01 0.45 -0.16 0.78 -1.23 0.00 0.00 177.57 177.42 1r27 h ASN 166 N 0.30 0.69 -0.10 4.19 2.35 -0.89 -0.14 115.58 121.98 1r27 h ASN 166 Ca 0.03 -0.22 -0.06 0.00 -0.55 0.00 0.00 56.30 55.51 1r27 h ASN 166 Cb 0.79 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 1r27 h ASN 166 CO 0.06 0.86 -0.15 -0.08 -1.65 0.00 0.00 177.43 176.47 1r27 h GLU 167 N 0.63 0.29 -0.08 0.81 4.81 -1.34 -1.47 114.58 118.22 1r27 h GLU 167 Ca 0.10 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1r27 h GLU 167 Cb 0.62 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1r27 h GLU 167 CO 0.04 0.74 0.05 1.25 -0.73 0.00 0.00 179.01 180.36 1r27 h LEU 168 N -0.14 0.09 -0.38 1.64 6.46 -1.35 0.13 115.31 121.76 1r27 h LEU 168 Ca 0.01 -0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1r27 h LEU 168 Cb 0.71 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.59 1r27 h LEU 168 CO 0.04 0.07 0.22 0.40 -0.62 0.00 0.00 178.44 178.55 1r27 h ILE 169 N 0.10 1.03 -0.42 4.05 2.04 -1.06 -0.65 117.51 122.59 1r27 h ILE 169 Ca 0.03 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1r27 h ILE 169 Cb -0.00 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1r27 h ILE 169 CO -0.01 0.08 0.20 0.00 0.00 0.00 0.00 178.15 178.42 1r27 h ALA 170 N 1.17 0.54 -0.64 1.87 0.00 -1.00 -1.62 119.26 119.59 1r27 h ALA 170 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1r27 h ALA 170 Cb 0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1r27 h ALA 170 CO -0.07 0.12 0.40 0.00 0.00 0.00 0.00 179.25 179.70 1r27 h ALA 171 N 1.04 0.81 -0.45 0.00 0.00 -0.46 -0.99 119.26 119.21 1r27 h ALA 171 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1r27 h ALA 171 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1r27 h ALA 171 CO -0.02 0.27 0.27 1.03 0.00 0.00 0.00 179.25 180.80 1r27 h SER 172 N 0.87 0.54 -0.22 0.00 0.87 -0.91 -0.45 113.55 114.25 1r27 h SER 172 Ca 0.23 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.75 1r27 h SER 172 Cb -0.06 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1r27 h SER 172 CO -0.05 0.45 0.09 0.78 -0.53 0.00 0.00 176.83 177.57 1r27 h ASN 173 N 0.60 0.12 -0.16 6.23 -0.26 -0.84 -0.55 115.58 120.71 1r27 h ASN 173 Ca 0.16 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1r27 h ASN 173 Cb 0.01 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1r27 h ASN 173 CO -0.03 0.10 0.11 0.58 -1.06 0.00 0.00 177.43 177.13 1r27 h VAL 174 N 0.20 1.05 -0.72 2.81 2.07 -0.93 -0.71 116.25 120.02 1r27 h VAL 174 Ca 0.09 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.57 1r27 h VAL 174 Cb 0.04 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.58 1r27 h VAL 174 CO -0.08 0.05 0.42 0.22 0.02 0.00 0.00 177.57 178.20 1r27 h TYR 175 N 0.21 0.77 -0.29 1.57 3.20 -0.86 -0.73 116.97 120.85 1r27 h TYR 175 Ca 0.06 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 1r27 h TYR 175 Cb -0.01 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 1r27 h TYR 175 CO -0.06 0.38 -0.16 1.15 -1.64 0.00 0.00 178.16 177.83 1r27 h THR 176 N 0.77 1.30 -0.57 1.81 2.02 -0.80 -1.49 112.91 115.95 1r27 h THR 176 Ca 0.32 -1.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.19 1r27 h THR 176 Cb 0.17 1.51 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1r27 h THR 176 CO -0.17 0.41 0.22 0.40 0.37 0.00 0.00 175.52 176.74 1r27 h ILE 177 N 0.36 1.23 -0.21 3.11 2.04 -0.91 0.44 117.51 123.57 1r27 h ILE 177 Ca 0.06 -0.72 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 1r27 h ILE 177 Cb 0.69 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1r27 h ILE 177 CO 0.05 0.28 -0.11 0.50 0.00 0.00 0.00 178.15 178.86 1r27 h LYS 178 N 0.79 0.45 0.00 2.37 3.64 -1.12 -2.48 116.57 120.22 1r27 h LYS 178 Ca 0.19 -0.20 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 1r27 h LYS 178 Cb 0.21 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1r27 h LYS 178 CO -0.01 0.74 -1.65 0.09 -2.27 0.00 0.00 179.45 176.34 1r27 n ASN 179 N -4.53 0.65 -0.01 4.20 4.13 -0.57 -4.70 115.26 114.44 1r27 n ASN 179 Ca -0.05 0.29 -0.01 0.00 1.68 0.00 0.00 54.58 56.49 1r27 n ASN 179 Cb 0.34 0.43 -0.01 0.00 -1.54 0.00 0.00 39.78 39.00 1r27 n ASN 179 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1r27 n TYR 180 N -2.83 0.00 0.00 3.10 4.01 -0.18 -4.94 117.16 116.32 1r27 n TYR 180 Ca -0.14 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.60 1r27 n TYR 180 Cb 0.89 -0.07 0.00 0.00 -0.31 0.00 0.00 39.34 39.85 1r27 n TYR 180 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1r27 n GLY 181 N 3.38 4.46 0.31 2.72 0.00 -0.03 -3.94 105.19 112.09 1r27 n GLY 181 Ca -0.03 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1r27 n GLY 181 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1r27 h PRO 182 N 0.00 0.90 -0.25 1.61 0.11 -1.82 -2.40 132.00 130.15 1r27 h PRO 182 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1r27 h PRO 182 Cb 0.00 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 30.91 1r27 h PRO 182 CO 0.00 0.59 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 1r27 n ASP 183 N -4.64 0.25 -0.92 -2.05 5.75 -1.22 -1.67 116.55 112.04 1r27 n ASP 183 Ca 0.11 -1.39 0.11 0.00 -0.01 0.00 0.00 54.79 53.62 1r27 n ASP 183 Cb 0.17 -0.12 0.10 0.00 -1.03 0.00 0.00 41.12 40.24 1r27 n ASP 183 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1r27 n ARG 184 N -0.27 2.15 -4.54 0.11 3.00 -0.90 -4.22 116.66 111.99 1r27 n ARG 184 Ca 0.00 -1.88 -0.34 0.00 -0.01 0.00 0.00 57.85 55.62 1r27 n ARG 184 Cb 0.06 -1.44 -0.12 0.00 0.00 0.00 0.00 32.46 30.97 1r27 n ARG 184 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1r27 s VAL 185 N -1.82 3.77 0.16 1.55 1.01 -0.67 -0.09 120.40 124.31 1r27 s VAL 185 Ca 0.27 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 1r27 s VAL 185 Cb 0.19 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1r27 s VAL 185 CO 0.28 0.56 0.27 0.00 0.00 0.00 0.00 175.10 176.20 1r27 s ALA 186 N -0.31 0.08 -0.03 5.51 0.00 0.08 -0.80 121.76 126.30 1r27 s ALA 186 Ca 0.05 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.03 1r27 s ALA 186 Cb -0.13 0.87 0.01 0.00 0.00 0.00 0.00 23.12 23.87 1r27 s ALA 186 CO 0.02 -0.64 0.10 0.20 0.00 0.00 0.00 175.76 175.45 1r27 s GLY 187 N -2.98 -0.04 -0.13 0.00 0.00 -0.70 -0.72 107.32 102.75 1r27 s GLY 187 Ca 0.18 0.18 0.01 0.00 0.00 0.00 0.00 44.72 45.09 1r27 s GLY 187 CO 0.00 0.12 -0.17 -0.12 0.00 0.00 0.00 173.10 172.94 1r27 s PHE 188 N -0.25 2.23 -0.23 1.90 5.36 0.92 -2.70 117.98 125.21 1r27 s PHE 188 Ca -0.03 -1.15 -0.15 0.00 -0.96 0.00 0.00 56.93 54.65 1r27 s PHE 188 Cb -0.02 -1.59 0.07 0.00 -0.34 0.00 0.00 43.02 41.14 1r27 s PHE 188 CO 0.00 -0.58 0.58 0.45 -1.46 0.00 0.00 175.22 174.21 1r27 s SER 189 N 1.11 -0.74 0.24 6.13 0.15 -1.26 -2.68 113.70 116.65 1r27 s SER 189 Ca -0.03 1.25 0.03 0.00 0.70 0.00 0.00 55.95 57.90 1r27 s SER 189 Cb -0.14 1.15 0.03 0.00 -1.71 0.00 0.00 66.02 65.34 1r27 s SER 189 CO -0.05 -0.22 0.24 -0.81 1.20 0.00 0.00 173.24 173.60 1r27 n PRO 190 N 4.01 1.03 -1.70 5.44 -0.04 -1.26 -4.86 135.00 137.61 1r27 n PRO 190 Ca -0.20 -1.42 -0.11 0.00 -0.04 0.00 0.00 63.50 61.73 1r27 n PRO 190 Cb 0.57 0.06 0.01 0.00 -0.04 0.00 0.00 33.50 34.10 1r27 n PRO 190 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1r27 n ILE 191 N -1.24 -1.06 0.29 0.52 2.08 -1.26 -4.81 119.36 113.88 1r27 n ILE 191 Ca 0.02 0.02 0.18 0.00 0.56 0.00 0.00 62.75 63.53 1r27 n ILE 191 Cb 0.26 -0.97 0.81 0.00 -0.75 0.00 0.00 39.64 38.99 1r27 n ILE 191 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1r27 h PRO 192 N 0.59 0.00 0.00 0.38 0.13 -1.90 -3.07 132.00 128.12 1r27 h PRO 192 Ca -0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 1r27 h PRO 192 Cb 0.39 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.52 1r27 h PRO 192 CO 0.06 0.02 -0.08 0.00 -0.23 0.00 0.00 178.00 177.78 1r27 h ALA 193 N 1.98 1.43 0.00 -0.56 0.00 -1.88 -0.02 119.26 120.21 1r27 h ALA 193 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1r27 h ALA 193 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1r27 h ALA 193 CO 0.00 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1r27 h MET 194 N 0.00 0.00 -0.28 0.00 -0.00 -1.77 -2.04 114.93 110.84 1r27 h MET 194 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.67 1r27 h MET 194 Cb 0.19 0.00 -0.15 0.00 -0.00 0.00 0.00 31.60 31.64 1r27 h MET 194 CO 0.01 0.00 -0.18 -1.13 -0.00 0.00 0.00 176.91 175.61 1r27 n SER 195 N -2.55 -1.77 -0.18 -0.10 3.41 -0.96 -4.00 113.62 107.47 1r27 n SER 195 Ca 0.04 -1.38 -0.05 0.00 -0.26 0.00 0.00 58.87 57.23 1r27 n SER 195 Cb 0.43 0.91 0.01 0.00 -0.26 0.00 0.00 64.21 65.30 1r27 n SER 195 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1r27 h MET 196 N 4.20 -0.15 -0.16 4.33 0.00 -0.72 -1.83 114.93 120.60 1r27 h MET 196 Ca -0.02 0.01 -0.14 0.00 0.00 0.00 0.00 59.70 59.54 1r27 h MET 196 Cb 1.16 0.03 -0.01 0.00 0.00 0.00 0.00 31.60 32.78 1r27 h MET 196 CO -0.09 -0.10 -0.51 0.28 0.00 0.00 0.00 176.91 176.49 1r27 h VAL 197 N -0.15 1.33 -0.51 -2.22 2.07 -1.85 -1.38 116.25 113.53 1r27 h VAL 197 Ca 0.23 -1.76 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 1r27 h VAL 197 Cb 0.53 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1r27 h VAL 197 CO -0.63 0.54 0.10 0.28 0.02 0.00 0.00 177.57 177.88 1r27 h SER 198 N 0.34 0.74 0.02 0.57 0.02 -1.80 -0.01 113.55 113.42 1r27 h SER 198 Ca 0.01 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1r27 h SER 198 Cb 1.02 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1r27 h SER 198 CO 0.09 0.74 -0.01 0.22 -1.14 0.00 0.00 176.83 176.73 1r27 h TYR 199 N 0.76 -0.03 -0.55 3.45 3.20 -1.18 -3.25 116.97 119.37 1r27 h TYR 199 Ca 0.16 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.15 1r27 h TYR 199 Cb 0.31 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 1r27 h TYR 199 CO 0.02 0.46 0.38 0.00 -1.64 0.00 0.00 178.16 177.38 1r27 h ALA 200 N 0.42 2.15 -0.03 1.82 0.00 -0.93 -3.00 119.26 119.70 1r27 h ALA 200 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1r27 h ALA 200 Cb 0.50 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1r27 h ALA 200 CO 0.01 -0.29 -0.48 0.66 0.00 0.00 0.00 179.25 179.14 1r27 h SER 201 N 0.27 -1.50 -0.26 0.00 4.64 -1.03 0.24 113.55 115.91 1r27 h SER 201 Ca 0.26 0.17 -0.17 0.00 -0.47 0.00 0.00 61.79 61.58 1r27 h SER 201 Cb 0.66 0.57 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1r27 h SER 201 CO -0.06 -0.46 -0.48 1.23 -0.87 0.00 0.00 176.83 176.19 1r27 h GLY 202 N -0.58 0.91 1.37 -0.77 0.00 -1.72 -2.89 103.07 99.37 1r27 h GLY 202 Ca 0.01 -1.01 -0.01 0.00 0.00 0.00 0.00 47.33 46.33 1r27 h GLY 202 CO -0.34 0.91 0.36 0.00 0.00 0.00 0.00 176.54 177.47 1r27 h ALA 203 N 0.79 1.47 -0.35 3.60 0.00 -1.36 -1.31 119.26 122.09 1r27 h ALA 203 Ca 0.03 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1r27 h ALA 203 Cb 1.07 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1r27 h ALA 203 CO 0.11 0.45 -0.44 -0.09 0.00 0.00 0.00 179.25 179.29 1r27 h ARG 204 N 0.85 0.90 0.08 0.00 2.43 0.15 -0.51 114.38 118.27 1r27 h ARG 204 Ca 0.22 -0.50 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1r27 h ARG 204 Cb -0.01 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 1r27 h ARG 204 CO -0.04 1.15 -0.04 -0.92 -1.51 0.00 0.00 179.97 178.61 1r27 h TYR 205 N 0.72 -0.10 -0.57 2.20 3.20 -1.23 -2.21 116.97 118.99 1r27 h TYR 205 Ca 0.05 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.91 1r27 h TYR 205 Cb 1.03 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 1r27 h TYR 205 CO 0.06 0.10 0.33 -0.07 -1.64 0.00 0.00 178.16 176.94 1r27 h LEU 206 N -0.28 0.69 -1.19 2.82 3.38 -1.24 -2.60 115.31 116.89 1r27 h LEU 206 Ca -0.01 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1r27 h LEU 206 Cb 0.24 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1r27 h LEU 206 CO 0.02 0.56 0.01 0.28 0.09 0.00 0.00 178.44 179.40 1r27 h SER 207 N 0.76 0.53 -0.48 -0.43 0.02 -1.07 0.61 113.55 113.50 1r27 h SER 207 Ca 0.20 -0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 1r27 h SER 207 Cb 0.01 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1r27 h SER 207 CO -0.04 0.60 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.01 1r27 h LEU 208 N 0.55 0.99 -0.20 5.07 3.38 -1.13 -3.01 115.31 120.96 1r27 h LEU 208 Ca 0.12 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1r27 h LEU 208 Cb 0.33 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1r27 h LEU 208 CO 0.01 1.14 -0.32 2.30 0.09 0.00 0.00 178.44 181.66 1r27 n ILE 209 N -4.12 0.00 -0.28 1.22 -5.35 -1.00 -4.88 119.36 104.95 1r27 n ILE 209 Ca 0.01 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 1r27 n ILE 209 Cb 0.43 0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 1r27 n ILE 209 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r27 n GLY 210 N 1.41 0.85 3.72 3.28 0.00 0.12 -4.77 105.19 109.81 1r27 n GLY 210 Ca 0.09 -0.06 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1r27 n GLY 210 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r27 s GLY 211 N -2.05 1.57 -0.06 -0.02 0.00 0.19 -3.42 107.32 103.54 1r27 s GLY 211 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 44.72 44.10 1r27 s GLY 211 CO 0.00 0.17 0.60 -1.59 0.00 0.00 0.00 173.10 172.28 1r27 s THR 212 N -3.09 5.03 -0.32 0.90 2.01 0.02 -4.43 115.64 115.76 1r27 s THR 212 Ca 0.64 1.23 -0.09 0.00 0.31 0.00 0.00 61.69 63.78 1r27 s THR 212 Cb -0.17 -3.93 0.01 0.00 0.01 0.00 0.00 72.50 68.42 1r27 s THR 212 CO 0.56 0.34 0.14 0.00 -0.69 0.00 0.00 174.62 174.97 1r27 s LEU 214 N 1.55 4.35 0.88 0.00 1.43 -1.10 -1.89 118.68 123.91 1r27 s LEU 214 Ca 0.03 1.54 -0.14 0.00 -1.03 0.00 0.00 54.13 54.54 1r27 s LEU 214 Cb -0.18 -3.69 0.14 0.00 0.03 0.00 0.00 46.19 42.50 1r27 s LEU 214 CO 0.05 0.01 1.24 -0.94 0.23 0.00 0.00 176.35 176.95 1r27 s SER 215 N -1.61 3.82 0.00 2.29 1.04 -0.41 -4.63 113.70 114.21 1r27 s SER 215 Ca 0.45 0.49 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1r27 s SER 215 Cb -0.17 -0.76 0.00 0.00 0.10 0.00 0.00 66.02 65.18 1r27 s SER 215 CO 0.22 -2.30 0.00 2.22 0.98 0.00 0.00 173.24 174.36 1r27 n PHE 216 N -3.52 0.00 -0.20 5.02 1.16 -1.26 -4.40 117.46 114.26 1r27 n PHE 216 Ca 0.12 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.66 1r27 n PHE 216 Cb 0.60 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.54 1r27 n PHE 216 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 1r27 h TYR 217 N 0.00 0.60 0.01 2.97 -0.00 -1.96 0.13 116.97 118.71 1r27 h TYR 217 Ca 0.00 0.02 -0.15 0.00 -0.00 0.00 0.00 58.73 58.60 1r27 h TYR 217 Cb 0.00 -0.19 0.01 0.00 -0.00 0.00 0.00 36.73 36.56 1r27 h TYR 217 CO 0.00 0.31 -0.60 0.38 -0.00 0.00 0.00 178.16 178.25 1r27 h ASP 218 N 0.62 0.51 -0.76 -2.11 3.04 -1.87 -1.12 116.42 114.74 1r27 h ASP 218 Ca 0.25 -0.78 0.11 0.00 -3.24 0.00 0.00 57.03 53.37 1r27 h ASP 218 Cb 0.11 -0.16 -0.08 0.00 -1.04 0.00 0.00 39.33 38.16 1r27 h ASP 218 CO -0.14 1.22 0.38 -0.25 -2.04 0.00 0.00 179.24 178.41 1r27 h TRP 219 N -0.15 0.67 -0.00 4.15 -0.00 -1.69 -0.24 115.95 118.68 1r27 h TRP 219 Ca -0.08 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 58.84 1r27 h TRP 219 Cb 1.32 -0.18 0.00 0.00 -0.00 0.00 0.00 29.16 30.30 1r27 h TRP 219 CO 0.15 0.21 -0.05 0.66 -0.00 0.00 0.00 178.44 179.41 1r27 n TYR 220 N -4.87 0.00 -2.06 2.65 4.01 0.43 -2.98 117.16 114.34 1r27 n TYR 220 Ca 0.13 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.76 1r27 n TYR 220 Cb 0.32 -0.35 -0.01 0.00 -0.31 0.00 0.00 39.34 38.99 1r27 n TYR 220 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1r27 n ASP 222 N 0.05 0.49 -4.70 0.00 8.00 -0.68 -4.58 116.55 115.14 1r27 n ASP 222 Ca -0.12 0.21 -0.42 0.00 0.71 0.00 0.00 54.79 55.17 1r27 n ASP 222 Cb 0.56 0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 42.46 1r27 n ASP 222 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1r27 s LEU 223 N -5.32 4.35 -0.47 0.64 2.96 -0.51 -4.96 118.68 115.37 1r27 s LEU 223 Ca -0.05 2.33 -0.13 0.00 -0.22 0.00 0.00 54.13 56.06 1r27 s LEU 223 Cb 0.10 -3.57 0.09 0.00 0.50 0.00 0.00 46.19 43.31 1r27 s LEU 223 CO 0.84 -0.75 0.38 -2.16 -1.32 0.00 0.00 176.35 173.33 1r27 s PRO 224 N 1.89 2.81 0.60 0.98 0.04 -1.26 -4.92 135.00 135.14 1r27 s PRO 224 Ca 0.67 -1.52 0.28 0.00 0.04 0.00 0.00 61.00 60.47 1r27 s PRO 224 Cb -0.37 -4.05 1.27 0.00 0.04 0.00 0.00 34.50 31.40 1r27 s PRO 224 CO 0.30 -1.10 1.68 -1.35 0.04 0.00 0.00 177.00 176.57 1r27 h PRO 225 N 8.65 0.00 0.00 0.56 0.11 -1.93 0.39 132.00 139.77 1r27 h PRO 225 Ca -0.26 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1r27 h PRO 225 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1r27 h PRO 225 CO 0.88 0.00 -0.09 0.00 -0.21 0.00 0.00 178.00 178.58 1r27 h ALA 226 N 1.11 1.34 0.12 -0.75 0.00 -1.90 -1.63 119.26 117.54 1r27 h ALA 226 Ca 0.29 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1r27 h ALA 226 Cb 1.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.52 1r27 h ALA 226 CO -0.00 0.11 -0.06 1.03 0.00 0.00 0.00 179.25 180.33 1r27 h SER 227 N 0.00 -0.13 -0.82 0.00 0.87 -0.50 -0.11 113.55 112.86 1r27 h SER 227 Ca -0.00 -0.42 -0.01 0.00 -1.23 0.00 0.00 61.79 60.12 1r27 h SER 227 Cb 0.25 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 1r27 h SER 227 CO 0.01 0.41 0.46 -0.65 -0.53 0.00 0.00 176.83 176.53 1r27 h PRO 228 N -0.74 1.14 -0.79 2.24 0.11 -1.38 0.35 132.00 132.92 1r27 h PRO 228 Ca -0.02 -0.13 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1r27 h PRO 228 Cb 0.54 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.39 1r27 h PRO 228 CO 0.03 0.83 0.45 1.96 -0.21 0.00 0.00 178.00 181.06 1r27 h GLN 229 N 1.15 1.09 0.06 1.05 4.20 -1.29 -0.17 115.11 121.20 1r27 h GLN 229 Ca 0.29 -0.12 -0.32 0.00 0.06 0.00 0.00 58.65 58.56 1r27 h GLN 229 Cb 0.02 -0.22 -0.04 0.00 0.30 0.00 0.00 27.48 27.54 1r27 h GLN 229 CO -0.05 0.79 -1.84 2.41 -0.67 0.00 0.00 178.83 179.48 1r27 n THR 230 N -4.44 1.69 -0.06 -0.54 -1.04 -0.06 -4.59 114.28 105.24 1r27 n THR 230 Ca 0.08 -0.73 0.00 0.00 -2.04 0.00 0.00 64.05 61.35 1r27 n THR 230 Cb 0.08 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 1r27 n THR 230 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1r27 n TRP 231 N -3.24 0.00 -1.85 -1.42 8.01 0.12 -1.25 117.44 117.82 1r27 n TRP 231 Ca -0.24 0.00 -0.12 0.00 -1.31 0.00 0.00 57.50 55.83 1r27 n TRP 231 Cb 1.05 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 30.32 1r27 n TRP 231 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1r27 n GLY 232 N 0.53 0.52 3.07 6.99 0.00 -0.08 -2.86 105.19 113.36 1r27 n GLY 232 Ca 0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 1r27 n GLY 232 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r27 s GLU 233 N -3.92 0.94 0.10 1.61 2.56 -1.25 -4.56 118.70 114.17 1r27 s GLU 233 Ca 0.00 -0.45 -0.27 0.00 0.00 0.00 0.00 54.97 54.25 1r27 s GLU 233 Cb 0.00 -0.91 -0.11 0.00 2.00 0.00 0.00 34.13 35.11 1r27 s GLU 233 CO 0.00 0.25 1.66 0.37 -0.56 0.00 0.00 175.26 176.97 1r27 h GLN 234 N 5.75 -0.42 0.00 4.30 4.15 -1.89 -3.02 115.11 123.97 1r27 h GLN 234 Ca -0.33 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1r27 h GLN 234 Cb 1.17 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.96 1r27 h GLN 234 CO 0.49 -0.28 0.00 2.41 -1.93 0.00 0.00 178.83 179.51 1r27 n THR 235 N -5.34 0.00 -3.65 2.39 -1.04 -1.26 -4.63 114.28 100.75 1r27 n THR 235 Ca -0.08 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.75 1r27 n THR 235 Cb 0.25 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.60 1r27 n THR 235 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1r27 s ASP 236 N 0.00 1.04 0.17 8.00 -1.08 -1.26 -4.98 116.67 118.56 1r27 s ASP 236 Ca 0.00 0.14 0.03 0.00 -0.52 0.00 0.00 52.55 52.20 1r27 s ASP 236 Cb 0.00 0.13 -0.05 0.00 -1.46 0.00 0.00 42.92 41.55 1r27 s ASP 236 CO 0.00 -0.26 -0.03 0.68 0.52 0.00 0.00 175.17 176.08 1r27 s VAL 237 N 2.25 0.86 0.73 1.11 -7.23 -1.26 -4.72 120.40 112.14 1r27 s VAL 237 Ca 0.04 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.06 1r27 s VAL 237 Cb -0.13 -2.04 0.04 0.00 0.56 0.00 0.00 36.38 34.81 1r27 s VAL 237 CO -0.06 -0.56 1.16 -2.84 -0.31 0.00 0.00 175.10 172.49 1r27 s PRO 238 N -3.86 2.23 0.60 4.82 0.02 -1.26 -4.25 135.00 133.30 1r27 s PRO 238 Ca 0.22 1.58 -0.10 0.00 0.02 0.00 0.00 61.00 62.72 1r27 s PRO 238 Cb 0.05 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 1r27 s PRO 238 CO 0.03 -1.73 0.99 -1.83 -0.33 0.00 0.00 177.00 174.13 1r27 s GLU 239 N -4.12 3.54 0.37 5.54 -1.05 -0.72 -4.85 118.70 117.41 1r27 s GLU 239 Ca 0.70 0.62 0.06 0.00 -0.15 0.00 0.00 54.97 56.20 1r27 s GLU 239 Cb -0.25 -2.14 0.75 0.00 -0.44 0.00 0.00 34.13 32.06 1r27 s GLU 239 CO 0.46 -0.53 1.98 0.66 0.95 0.00 0.00 175.26 178.78 1r27 h SER 240 N -0.23 0.64 0.04 0.83 4.64 -1.46 -0.79 113.55 117.22 1r27 h SER 240 Ca -0.45 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1r27 h SER 240 Cb 1.20 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1r27 h SER 240 CO 0.62 0.43 -0.01 0.00 -0.87 0.00 0.00 176.83 177.00 1r27 h ALA 241 N 1.62 1.39 0.00 5.18 0.00 -1.93 0.44 119.26 125.96 1r27 h ALA 241 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1r27 h ALA 241 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1r27 h ALA 241 CO -0.09 0.01 0.00 0.22 0.00 0.00 0.00 179.25 179.40 1r27 h ASP 242 N 0.00 0.00 0.27 0.00 3.58 -1.43 -2.23 116.42 116.60 1r27 h ASP 242 Ca -0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1r27 h ASP 242 Cb 0.03 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 1r27 h ASP 242 CO 0.00 0.00 -0.20 -0.50 -2.88 0.00 0.00 179.24 175.66 1r27 h TRP 243 N 0.00 0.00 0.00 0.28 6.55 -0.99 -1.54 115.95 120.25 1r27 h TRP 243 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1r27 h TRP 243 Cb 0.53 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.83 1r27 h TRP 243 CO 0.00 0.20 0.00 -0.92 -1.05 0.00 0.00 178.44 176.67 1r27 h TYR 244 N 0.00 0.00 -0.01 0.49 3.20 -1.53 -1.79 116.97 117.33 1r27 h TYR 244 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1r27 h TYR 244 Cb 0.39 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1r27 h TYR 244 CO 0.00 0.00 -0.13 0.09 -1.64 0.00 0.00 178.16 176.48 1r27 n ASN 245 N -3.03 0.92 -4.85 -2.11 3.02 -0.58 -4.89 115.26 103.74 1r27 n ASN 245 Ca -0.00 -0.96 -0.34 0.00 -0.03 0.00 0.00 54.58 53.25 1r27 n ASN 245 Cb 0.24 0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.39 1r27 n ASN 245 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1r27 s SER 246 N -2.34 6.76 0.00 6.41 0.15 -0.68 -4.37 113.70 119.63 1r27 s SER 246 Ca 0.31 1.03 0.11 0.00 0.70 0.00 0.00 55.95 58.09 1r27 s SER 246 Cb 0.20 -2.27 0.09 0.00 -1.71 0.00 0.00 66.02 62.33 1r27 s SER 246 CO 0.45 0.04 0.84 -1.54 1.20 0.00 0.00 173.24 174.24 1r27 n SER 247 N 0.49 1.90 -3.55 5.45 3.41 -0.74 -4.79 113.62 115.81 1r27 n SER 247 Ca -0.03 -1.45 -0.05 0.00 -0.26 0.00 0.00 58.87 57.07 1r27 n SER 247 Cb 0.52 -0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.40 1r27 n SER 247 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1r27 s TYR 248 N -0.90 -1.04 -0.03 7.33 5.04 -1.20 -3.14 117.35 123.41 1r27 s TYR 248 Ca 0.13 1.64 0.03 0.00 -2.44 0.00 0.00 57.07 56.43 1r27 s TYR 248 Cb 0.09 0.42 0.00 0.00 0.35 0.00 0.00 41.96 42.82 1r27 s TYR 248 CO 0.13 -0.62 -0.13 0.42 -1.34 0.00 0.00 175.55 174.02 1r27 s ILE 249 N 2.71 1.10 -0.17 3.14 1.01 -0.54 -0.40 121.20 128.04 1r27 s ILE 249 Ca 0.02 -0.53 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1r27 s ILE 249 Cb -0.13 -0.96 0.01 0.00 0.01 0.00 0.00 42.46 41.39 1r27 s ILE 249 CO -0.16 0.33 -0.17 -0.63 0.00 0.00 0.00 174.94 174.31 1r27 s ILE 250 N 0.12 2.39 -0.49 2.92 1.01 -0.64 -0.87 121.20 125.63 1r27 s ILE 250 Ca -0.03 -0.85 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 1r27 s ILE 250 Cb -0.10 -2.01 0.06 0.00 0.01 0.00 0.00 42.46 40.42 1r27 s ILE 250 CO 0.01 0.52 0.56 0.00 0.00 0.00 0.00 174.94 176.03 1r27 s ALA 251 N 1.06 3.43 -0.41 9.38 0.00 0.15 -0.95 121.76 134.42 1r27 s ALA 251 Ca -0.01 -1.81 -0.06 0.00 0.00 0.00 0.00 51.96 50.08 1r27 s ALA 251 Cb -0.14 -3.27 0.09 0.00 0.00 0.00 0.00 23.12 19.80 1r27 s ALA 251 CO -0.05 -1.92 0.23 -0.46 0.00 0.00 0.00 175.76 173.56 1r27 s TRP 252 N 2.37 3.43 -1.27 0.00 -0.11 0.48 -0.90 118.94 122.93 1r27 s TRP 252 Ca 0.12 -1.94 -0.03 0.00 1.22 0.00 0.00 56.10 55.47 1r27 s TRP 252 Cb -0.20 -3.05 0.00 0.00 -1.50 0.00 0.00 33.47 28.72 1r27 s TRP 252 CO 0.11 -0.91 0.45 0.41 -4.62 0.00 0.00 176.95 172.39 1r27 n GLY 253 N 4.77 -0.29 2.69 5.86 0.00 -0.97 -3.43 105.19 113.82 1r27 n GLY 253 Ca -0.07 -0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 1r27 n GLY 253 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r27 s SER 254 N -2.72 2.47 -1.42 1.61 0.15 -1.26 -2.10 113.70 110.43 1r27 s SER 254 Ca 0.22 -0.62 -0.08 0.00 0.70 0.00 0.00 55.95 56.18 1r27 s SER 254 Cb -0.10 -0.42 0.06 0.00 -1.71 0.00 0.00 66.02 63.85 1r27 s SER 254 CO 0.28 -0.31 2.47 -3.20 1.20 0.00 0.00 173.24 173.68 1r27 n ASN 255 N 5.16 7.53 -0.27 5.45 5.15 -1.26 -4.87 115.26 132.16 1r27 n ASN 255 Ca -0.08 -2.95 -0.02 0.00 -0.60 0.00 0.00 54.58 50.93 1r27 n ASN 255 Cb 0.48 -1.46 0.01 0.00 -0.53 0.00 0.00 39.78 38.28 1r27 n ASN 255 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 1r27 n VAL 256 N 2.75 -0.38 0.25 3.44 0.31 -1.26 -0.83 118.33 122.60 1r27 n VAL 256 Ca 0.63 1.60 0.08 0.00 -0.01 0.00 0.00 64.34 66.64 1r27 n VAL 256 Cb 0.27 -2.08 0.60 0.00 -0.91 0.00 0.00 33.84 31.72 1r27 n VAL 256 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1r27 h PRO 257 N 0.00 0.00 0.07 5.55 0.13 -1.89 0.55 132.00 136.42 1r27 h PRO 257 Ca 0.21 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.97 1r27 h PRO 257 Cb 0.38 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.47 1r27 h PRO 257 CO -0.66 0.09 -2.12 0.94 -0.23 0.00 0.00 178.00 176.02 1r27 n GLN 258 N -4.33 0.71 -0.07 0.86 7.27 -0.01 -3.84 117.38 117.97 1r27 n GLN 258 Ca -0.03 0.25 0.10 0.00 0.07 0.00 0.00 57.00 57.39 1r27 n GLN 258 Cb 0.17 -1.64 0.13 0.00 2.41 0.00 0.00 30.24 31.31 1r27 n GLN 258 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1r27 n THR 259 N -3.50 0.23 -2.59 1.69 -2.24 -0.06 -4.35 114.28 103.46 1r27 n THR 259 Ca -0.37 -0.61 0.01 0.00 -2.27 0.00 0.00 64.05 60.81 1r27 n THR 259 Cb 1.00 1.22 0.03 0.00 -2.10 0.00 0.00 70.33 70.48 1r27 n THR 259 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1r27 n ARG 260 N 1.21 0.69 -0.40 -0.78 3.00 0.18 -4.96 116.66 115.59 1r27 n ARG 260 Ca 0.14 -2.39 -0.07 0.00 -0.00 0.00 0.00 57.85 55.53 1r27 n ARG 260 Cb 0.53 -0.49 -0.04 0.00 0.00 0.00 0.00 32.46 32.46 1r27 n ARG 260 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1r27 h THR 261 N 6.15 0.00 0.00 5.15 2.02 -1.64 -0.52 112.91 124.07 1r27 h THR 261 Ca -0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1r27 h THR 261 Cb 1.60 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.01 1r27 h THR 261 CO 0.08 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.16 1r27 n PRO 262 N -5.35 0.13 -0.00 6.66 -0.04 -1.22 -2.07 135.00 133.11 1r27 n PRO 262 Ca 0.06 0.56 0.06 0.00 -0.04 0.00 0.00 63.50 64.14 1r27 n PRO 262 Cb 0.32 -1.88 -0.07 0.00 -0.04 0.00 0.00 33.50 31.83 1r27 n PRO 262 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1r27 n ASP 263 N -2.15 0.82 -0.26 3.54 8.00 -0.32 -4.53 116.55 121.66 1r27 n ASP 263 Ca -0.00 -0.65 0.29 0.00 0.71 0.00 0.00 54.79 55.13 1r27 n ASP 263 Cb 0.08 1.09 0.68 0.00 -0.02 0.00 0.00 41.12 42.95 1r27 n ASP 263 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r27 h ALA 264 N 1.59 2.78 -0.14 2.24 0.00 -0.68 -1.56 119.26 123.50 1r27 h ALA 264 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1r27 h ALA 264 Cb 0.33 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1r27 h ALA 264 CO 0.00 -1.10 0.06 1.12 0.00 0.00 0.00 179.25 179.33 1r27 h HIS 265 N 0.10 0.18 -0.36 0.00 2.07 -1.82 -0.85 115.15 114.48 1r27 h HIS 265 Ca 0.51 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 58.01 1r27 h HIS 265 Cb 1.82 -0.06 -0.02 0.00 2.57 0.00 0.00 27.41 31.72 1r27 h HIS 265 CO -0.00 0.15 0.15 0.74 -3.07 0.00 0.00 177.93 175.90 1r27 h PHE 266 N 0.19 0.49 -0.02 6.12 0.04 -1.64 0.19 116.94 122.32 1r27 h PHE 266 Ca 0.05 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.72 1r27 h PHE 266 Cb 0.04 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.04 1r27 h PHE 266 CO 0.00 0.38 -0.34 0.35 -0.60 0.00 0.00 178.31 178.11 1r27 h PHE 267 N 0.50 0.37 -0.35 -0.55 3.57 -1.33 -2.34 116.94 116.82 1r27 h PHE 267 Ca 0.13 -0.19 -0.11 0.00 3.53 0.00 0.00 57.97 61.32 1r27 h PHE 267 Cb 0.09 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1r27 h PHE 267 CO 0.00 0.98 -0.25 1.79 -2.23 0.00 0.00 178.31 178.61 1r27 h THR 268 N -0.34 1.27 -0.07 4.41 1.35 -1.01 -3.23 112.91 115.29 1r27 h THR 268 Ca -0.04 -1.34 -0.20 0.00 -0.55 0.00 0.00 66.41 64.27 1r27 h THR 268 Cb 1.06 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1r27 h THR 268 CO 0.07 0.44 -0.80 -0.33 -0.25 0.00 0.00 175.52 174.65 1r27 h GLU 269 N 0.61 0.49 0.00 4.72 5.08 -0.72 -3.20 114.58 121.57 1r27 h GLU 269 Ca 0.08 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 1r27 h GLU 269 Cb 0.74 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1r27 h GLU 269 CO 0.06 1.07 -0.02 -0.24 -1.00 0.00 0.00 179.01 178.87 1r27 h VAL 270 N 0.32 0.18 -0.18 3.13 3.04 -1.43 -0.30 116.25 121.02 1r27 h VAL 270 Ca -0.05 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 65.41 1r27 h VAL 270 Cb 1.40 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 31.84 1r27 h VAL 270 CO 0.14 0.02 0.01 0.03 -1.01 0.00 0.00 177.57 176.77 1r27 h ARG 271 N 0.00 0.25 0.00 4.17 3.08 -1.62 -0.75 114.38 119.51 1r27 h ARG 271 Ca -0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1r27 h ARG 271 Cb 0.16 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1r27 h ARG 271 CO 0.00 0.27 0.00 0.66 -1.07 0.00 0.00 179.97 179.83 1r27 n TYR 272 N -4.40 0.75 1.42 3.04 4.01 -0.12 -1.81 117.16 120.05 1r27 n TYR 272 Ca -0.00 0.26 0.12 0.00 -0.16 0.00 0.00 57.90 58.12 1r27 n TYR 272 Cb 0.16 -0.92 0.48 0.00 -0.31 0.00 0.00 39.34 38.75 1r27 n TYR 272 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1r27 n LYS 273 N -2.15 1.64 -0.03 -0.72 4.81 -0.30 -4.90 118.16 116.51 1r27 n LYS 273 Ca 0.04 -0.95 0.00 0.00 -0.87 0.00 0.00 58.31 56.53 1r27 n LYS 273 Cb 0.31 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 33.92 1r27 n LYS 273 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r27 n GLY 274 N 1.14 0.58 3.72 3.14 0.00 -0.75 -5.06 105.19 107.95 1r27 n GLY 274 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1r27 n GLY 274 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r27 s THR 275 N -2.06 3.84 0.08 2.61 2.01 -1.13 -5.00 115.64 115.99 1r27 s THR 275 Ca 0.00 1.33 -0.20 0.00 0.31 0.00 0.00 61.69 63.13 1r27 s THR 275 Cb 0.00 -3.85 -0.07 0.00 0.01 0.00 0.00 72.50 68.59 1r27 s THR 275 CO 0.00 0.11 0.59 -0.75 -0.69 0.00 0.00 174.62 173.88 1r27 s LYS 276 N 0.99 4.25 0.04 4.92 2.20 -1.19 -4.40 119.74 126.55 1r27 s LYS 276 Ca 0.60 0.79 0.07 0.00 -0.36 0.00 0.00 55.97 57.06 1r27 s LYS 276 Cb -0.31 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 1r27 s LYS 276 CO 0.30 0.62 -0.19 0.95 -0.36 0.00 0.00 175.35 176.67 1r27 s THR 277 N -1.08 1.50 -0.03 3.43 -4.23 -1.26 -1.46 115.64 112.50 1r27 s THR 277 Ca 0.30 -1.12 0.03 0.00 -1.18 0.00 0.00 61.69 59.71 1r27 s THR 277 Cb -0.20 -1.32 0.00 0.00 1.34 0.00 0.00 72.50 72.33 1r27 s THR 277 CO 0.20 0.16 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.64 1r27 s VAL 278 N -0.79 0.92 -0.14 2.29 1.01 -0.05 -1.39 120.40 122.24 1r27 s VAL 278 Ca 0.06 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.58 1r27 s VAL 278 Cb -0.08 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 1r27 s VAL 278 CO 0.02 0.28 -0.05 0.00 0.00 0.00 0.00 175.10 175.34 1r27 s ALA 279 N 0.20 2.95 -0.38 5.51 0.00 -0.36 0.35 121.76 130.03 1r27 s ALA 279 Ca -0.04 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.12 1r27 s ALA 279 Cb -0.10 -1.47 0.11 0.00 0.00 0.00 0.00 23.12 21.66 1r27 s ALA 279 CO 0.01 0.27 0.11 0.08 0.00 0.00 0.00 175.76 176.23 1r27 s VAL 280 N 0.20 2.16 -0.05 0.00 1.01 -0.08 -1.47 120.40 122.18 1r27 s VAL 280 Ca -0.03 -2.48 -0.10 0.00 0.00 0.00 0.00 61.98 59.37 1r27 s VAL 280 Cb -0.14 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.68 1r27 s VAL 280 CO 0.03 -0.67 0.24 0.42 0.00 0.00 0.00 175.10 175.12 1r27 s THR 281 N 0.68 0.04 0.35 3.92 -4.23 -0.89 -2.29 115.64 113.22 1r27 s THR 281 Ca 0.12 -0.31 0.09 0.00 -1.18 0.00 0.00 61.69 60.41 1r27 s THR 281 Cb -0.21 -0.45 0.10 0.00 1.34 0.00 0.00 72.50 73.29 1r27 s THR 281 CO -0.08 -0.17 1.82 1.55 -0.54 0.00 0.00 174.62 177.20 1r27 h PRO 282 N 4.85 0.19 -6.22 3.99 0.13 -1.82 -3.35 132.00 129.77 1r27 h PRO 282 Ca -0.28 -0.07 -0.48 0.00 -0.87 0.00 0.00 66.00 64.30 1r27 h PRO 282 Cb 1.19 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1r27 h PRO 282 CO 0.38 0.47 -0.40 0.16 -0.23 0.00 0.00 178.00 178.37 1r27 s ASP 283 N -6.89 5.32 -0.83 1.44 -4.77 -1.26 -4.62 116.67 105.06 1r27 s ASP 283 Ca -0.05 -0.53 -0.23 0.00 -3.30 0.00 0.00 52.55 48.44 1r27 s ASP 283 Cb 0.14 -0.87 0.06 0.00 -1.09 0.00 0.00 42.92 41.17 1r27 s ASP 283 CO 0.75 -0.47 1.21 -0.47 0.70 0.00 0.00 175.17 176.89 1r27 s TYR 284 N -2.34 2.60 0.61 2.11 5.04 -0.93 -4.98 117.35 119.47 1r27 s TYR 284 Ca 0.44 -0.63 -0.01 0.00 -2.44 0.00 0.00 57.07 54.43 1r27 s TYR 284 Cb -0.06 -4.50 0.05 0.00 0.35 0.00 0.00 41.96 37.81 1r27 s TYR 284 CO 0.28 -1.82 0.87 0.00 -1.34 0.00 0.00 175.55 173.53 1r27 s ALA 285 N 4.55 3.65 0.49 3.97 0.00 -1.26 -4.92 121.76 128.24 1r27 s ALA 285 Ca 0.34 -1.24 0.16 0.00 0.00 0.00 0.00 51.96 51.23 1r27 s ALA 285 Cb -0.08 -2.23 1.19 0.00 0.00 0.00 0.00 23.12 22.00 1r27 s ALA 285 CO 0.03 -0.99 2.07 0.93 0.00 0.00 0.00 175.76 177.81 1r27 h GLU 286 N -0.19 0.15 -0.31 0.00 5.08 -1.94 -1.26 114.58 116.10 1r27 h GLU 286 Ca -0.42 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.89 1r27 h GLU 286 Cb 1.30 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 1r27 h GLU 286 CO 0.53 0.10 0.02 0.97 -1.00 0.00 0.00 179.01 179.63 1r27 h ILE 287 N 0.16 1.18 -0.82 3.13 6.09 -1.89 -2.64 117.51 122.71 1r27 h ILE 287 Ca 0.12 -0.69 0.06 0.00 -1.37 0.00 0.00 64.86 62.99 1r27 h ILE 287 Cb 0.30 0.92 -0.06 0.00 0.47 0.00 0.00 36.82 38.45 1r27 h ILE 287 CO -0.02 0.24 0.50 0.00 -3.07 0.00 0.00 178.15 175.80 1r27 h ALA 288 N 1.57 1.12 -0.93 0.18 0.00 -1.60 -1.65 119.26 117.95 1r27 h ALA 288 Ca 0.10 -0.00 0.25 0.00 0.00 0.00 0.00 54.91 55.27 1r27 h ALA 288 Cb 0.28 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1r27 h ALA 288 CO 0.01 0.23 0.65 -0.22 0.00 0.00 0.00 179.25 179.91 1r27 h LYS 289 N 0.91 0.12 -0.01 0.00 3.11 -1.54 -1.22 116.57 117.93 1r27 h LYS 289 Ca 0.36 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 58.19 1r27 h LYS 289 Cb 0.18 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1r27 h LYS 289 CO -0.18 0.08 -0.25 1.28 -2.81 0.00 0.00 179.45 177.57 1r27 n LEU 290 N -4.34 1.31 -4.93 5.20 4.77 -0.62 -4.99 117.00 113.40 1r27 n LEU 290 Ca 0.20 -0.40 -0.20 0.00 -0.03 0.00 0.00 56.01 55.59 1r27 n LEU 290 Cb 0.92 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.91 1r27 n LEU 290 CO 0.36 0.24 0.03 0.00 -1.33 0.00 0.00 177.39 176.69 1r27 h ASP 292 N 0.96 0.00 -4.07 0.00 3.32 -1.54 -3.47 116.42 111.63 1r27 h ASP 292 Ca -0.43 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.48 1r27 h ASP 292 Cb 1.26 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.57 1r27 h ASP 292 CO 0.54 0.00 -0.34 -0.22 -1.72 0.00 0.00 179.24 177.50 1r27 s LEU 293 N -5.75 0.82 -0.18 1.55 2.96 -1.21 -5.05 118.68 111.82 1r27 s LEU 293 Ca 0.03 0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 1r27 s LEU 293 Cb 0.07 1.10 0.02 0.00 0.50 0.00 0.00 46.19 47.89 1r27 s LEU 293 CO 0.73 -0.17 -0.17 0.86 -1.32 0.00 0.00 176.35 176.27 1r27 s TRP 294 N -0.13 2.60 -0.12 5.38 -0.00 -1.26 -1.23 118.94 124.18 1r27 s TRP 294 Ca -0.03 -1.56 -0.01 0.00 -0.00 0.00 0.00 56.10 54.51 1r27 s TRP 294 Cb -0.03 -1.80 -0.02 0.00 -0.00 0.00 0.00 33.47 31.62 1r27 s TRP 294 CO 0.01 -0.77 -0.10 -0.51 -0.00 0.00 0.00 176.95 175.59 1r27 s LEU 295 N 1.35 2.93 -0.69 5.86 1.43 -0.54 -5.01 118.68 124.01 1r27 s LEU 295 Ca 0.04 -0.21 0.05 0.00 -1.03 0.00 0.00 54.13 52.98 1r27 s LEU 295 Cb -0.14 -1.66 0.20 0.00 0.03 0.00 0.00 46.19 44.62 1r27 s LEU 295 CO -0.12 0.21 0.60 0.00 0.23 0.00 0.00 176.35 177.28 1r27 n ALA 296 N 3.20 3.68 -1.35 4.21 0.00 -1.26 -2.10 120.51 126.89 1r27 n ALA 296 Ca -0.18 -4.63 -0.30 0.00 0.00 0.00 0.00 53.44 48.33 1r27 n ALA 296 Cb 0.53 -1.00 0.10 0.00 0.00 0.00 0.00 19.45 19.07 1r27 n ALA 296 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1r27 s PRO 297 N -1.86 2.05 0.23 0.00 0.04 -1.26 -4.77 135.00 129.43 1r27 s PRO 297 Ca 0.31 0.93 -0.30 0.00 0.04 0.00 0.00 61.00 61.97 1r27 s PRO 297 Cb 0.03 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.57 1r27 s PRO 297 CO -0.11 -1.72 1.50 0.21 0.04 0.00 0.00 177.00 176.93 1r27 s LYS 298 N -4.99 4.23 0.45 4.56 2.47 -0.68 -4.00 119.74 121.79 1r27 s LYS 298 Ca 0.61 2.37 -0.24 0.00 -1.56 0.00 0.00 55.97 57.15 1r27 s LYS 298 Cb -0.16 -3.11 -0.09 0.00 -1.46 0.00 0.00 37.83 33.01 1r27 s LYS 298 CO 0.56 -0.51 1.24 0.00 0.16 0.00 0.00 175.35 176.79 1r27 n GLN 299 N 2.81 1.76 -0.54 4.03 0.00 -1.26 -2.35 117.38 121.83 1r27 n GLN 299 Ca 0.09 0.63 0.00 0.00 0.00 0.00 0.00 57.00 57.72 1r27 n GLN 299 Cb 0.39 -2.36 0.00 0.00 0.00 0.00 0.00 30.24 28.27 1r27 n GLN 299 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1r27 n GLY 300 N 0.87 1.56 0.71 2.61 0.00 -1.26 -4.86 105.19 104.82 1r27 n GLY 300 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.16 1r27 n GLY 300 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1r27 n THR 301 N -2.00 1.34 -0.17 2.61 -2.24 -0.99 -4.58 114.28 108.25 1r27 n THR 301 Ca 0.00 -1.23 0.17 0.00 -2.27 0.00 0.00 64.05 60.72 1r27 n THR 301 Cb 0.00 0.30 0.53 0.00 -2.10 0.00 0.00 70.33 69.06 1r27 n THR 301 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1r27 h ASP 302 N 1.96 0.34 -0.31 3.42 3.32 -1.89 -1.25 116.42 122.02 1r27 h ASP 302 Ca 0.00 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1r27 h ASP 302 Cb 0.92 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 1r27 h ASP 302 CO 0.06 0.17 0.19 0.00 -1.72 0.00 0.00 179.24 177.94 1r27 h ALA 303 N 1.64 1.75 -0.58 3.45 0.00 -1.85 -1.53 119.26 122.12 1r27 h ALA 303 Ca 0.39 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 1r27 h ALA 303 Cb 0.98 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1r27 h ALA 303 CO -0.12 0.23 0.17 0.00 0.00 0.00 0.00 179.25 179.53 1r27 h ALA 304 N 1.78 0.76 -0.50 0.00 0.00 -1.60 -0.90 119.26 118.81 1r27 h ALA 304 Ca 0.12 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1r27 h ALA 304 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1r27 h ALA 304 CO -0.02 0.44 -0.02 1.98 0.00 0.00 0.00 179.25 181.62 1r27 h MET 305 N 0.83 0.89 -0.62 0.00 -1.53 -1.38 -2.50 114.93 110.63 1r27 h MET 305 Ca 0.19 -0.30 -0.03 0.00 -3.44 0.00 0.00 59.70 56.12 1r27 h MET 305 Cb 0.30 -0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 31.25 1r27 h MET 305 CO -0.00 0.94 0.26 0.00 0.14 0.00 0.00 176.91 178.25 1r27 h ALA 306 N 0.92 1.30 -0.17 0.39 0.00 -1.05 -1.47 119.26 119.18 1r27 h ALA 306 Ca 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1r27 h ALA 306 Cb 0.55 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1r27 h ALA 306 CO 0.03 0.53 0.02 -0.07 0.00 0.00 0.00 179.25 179.76 1r27 h LEU 307 N 0.88 0.28 -1.29 0.00 3.38 -0.99 -0.79 115.31 116.79 1r27 h LEU 307 Ca 0.21 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1r27 h LEU 307 Cb 0.14 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1r27 h LEU 307 CO -0.02 0.48 0.10 0.00 0.09 0.00 0.00 178.44 179.09 1r27 h ALA 308 N 0.81 1.43 -0.31 1.53 0.00 -1.22 0.29 119.26 121.80 1r27 h ALA 308 Ca 0.05 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1r27 h ALA 308 Cb 0.33 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1r27 h ALA 308 CO 0.00 0.42 -0.37 0.52 0.00 0.00 0.00 179.25 179.83 1r27 h MET 309 N 0.58 0.79 -0.42 0.00 2.86 -1.07 -2.40 114.93 115.26 1r27 h MET 309 Ca 0.13 -0.44 -0.07 0.00 -2.06 0.00 0.00 59.70 57.27 1r27 h MET 309 Cb 0.22 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1r27 h MET 309 CO -0.00 1.07 -0.01 0.78 1.06 0.00 0.00 176.91 179.81 1r27 h GLY 310 N 0.56 0.75 0.71 8.32 0.00 -0.73 -1.59 103.07 111.09 1r27 h GLY 310 Ca 0.04 -0.48 0.03 0.00 0.00 0.00 0.00 47.33 46.92 1r27 h GLY 310 CO 0.09 0.45 0.06 0.84 0.00 0.00 0.00 176.54 177.97 1r27 h HIS 311 N 0.65 0.10 -0.47 5.60 6.17 -0.72 0.42 115.15 126.89 1r27 h HIS 311 Ca 0.13 0.02 -0.08 0.00 0.71 0.00 0.00 60.37 61.15 1r27 h HIS 311 Cb 0.42 -0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.33 1r27 h HIS 311 CO 0.02 0.03 -0.02 0.28 0.71 0.00 0.00 177.93 178.95 1r27 h VAL 312 N 0.16 1.25 -0.50 5.26 2.07 -1.14 -1.72 116.25 121.62 1r27 h VAL 312 Ca 0.12 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 1r27 h VAL 312 Cb 0.12 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1r27 h VAL 312 CO -0.15 0.36 0.05 0.24 0.02 0.00 0.00 177.57 178.09 1r27 h MET 313 N 0.74 0.86 -0.34 1.57 2.86 -0.66 -1.94 114.93 118.02 1r27 h MET 313 Ca 0.14 -0.25 -0.08 0.00 -2.06 0.00 0.00 59.70 57.45 1r27 h MET 313 Cb 0.48 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1r27 h MET 313 CO 0.02 0.87 -0.11 -0.07 1.06 0.00 0.00 176.91 178.68 1r27 h LEU 314 N 0.73 0.69 -0.32 1.22 3.38 -0.79 -0.60 115.31 119.62 1r27 h LEU 314 Ca 0.15 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1r27 h LEU 314 Cb 0.45 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1r27 h LEU 314 CO 0.02 0.91 0.21 -0.09 0.09 0.00 0.00 178.44 179.58 1r27 h ARG 315 N 0.47 0.43 0.00 1.13 9.65 -1.22 -1.04 114.38 123.79 1r27 h ARG 315 Ca 0.08 -0.03 -0.22 0.00 -1.10 0.00 0.00 59.98 58.71 1r27 h ARG 315 Cb 0.62 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.07 1r27 h ARG 315 CO 0.04 0.30 -1.75 0.39 2.80 0.00 0.00 179.97 181.75 1r27 n GLU 316 N -4.85 0.64 0.00 0.20 1.02 -0.74 -0.53 120.64 116.39 1r27 n GLU 316 Ca -0.01 0.14 0.06 0.00 -0.02 0.00 0.00 57.16 57.33 1r27 n GLU 316 Cb 0.03 -1.71 -0.04 0.00 -0.02 0.00 0.00 31.44 29.70 1r27 n GLU 316 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1r27 n PHE 317 N -2.83 0.00 -0.01 -0.32 3.72 -0.24 -2.40 117.46 115.39 1r27 n PHE 317 Ca -0.16 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.23 1r27 n PHE 317 Cb 0.93 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.46 1r27 n PHE 317 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1r27 n HIS 318 N -0.85 0.00 0.00 1.38 8.25 -1.03 -0.70 115.22 122.27 1r27 n HIS 318 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1r27 n HIS 318 Cb 0.22 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.25 1r27 n HIS 318 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1r27 n LEU 319 N -2.68 0.35 0.08 2.41 4.32 -0.42 -4.14 117.00 116.91 1r27 n LEU 319 Ca -0.04 0.15 -0.12 0.00 -0.02 0.00 0.00 56.01 55.99 1r27 n LEU 319 Cb 0.53 -0.36 -0.06 0.00 -1.62 0.00 0.00 43.42 41.91 1r27 n LEU 319 CO 0.01 -0.36 0.80 0.44 -1.22 0.00 0.00 177.39 177.06 1r27 h ASP 320 N 0.00 -0.27 -2.53 -1.43 5.19 -1.03 -3.35 116.42 113.00 1r27 h ASP 320 Ca 0.00 0.03 -0.60 0.00 -0.62 0.00 0.00 57.03 55.85 1r27 h ASP 320 Cb 0.00 0.10 -0.40 0.00 0.18 0.00 0.00 39.33 39.21 1r27 h ASP 320 CO 0.00 -0.15 -0.81 0.59 -3.12 0.00 0.00 179.24 175.75 1r27 n ASN 321 N -5.22 1.37 -4.73 6.45 4.13 -1.01 -5.05 115.26 111.21 1r27 n ASN 321 Ca -0.07 -2.85 -0.63 0.00 1.68 0.00 0.00 54.58 52.72 1r27 n ASN 321 Cb 0.14 -0.65 -0.09 0.00 -1.54 0.00 0.00 39.78 37.65 1r27 n ASN 321 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1r27 n PRO 322 N 2.07 0.54 -2.82 3.52 -0.02 -1.26 -4.39 135.00 132.63 1r27 n PRO 322 Ca 0.25 0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1r27 n PRO 322 Cb 0.43 -1.78 -0.04 0.00 -0.02 0.00 0.00 33.50 32.10 1r27 n PRO 322 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1r27 s SER 323 N 3.18 7.09 0.12 2.55 0.15 0.12 -4.95 113.70 121.96 1r27 s SER 323 Ca 1.02 1.33 -0.20 0.00 0.70 0.00 0.00 55.95 58.80 1r27 s SER 323 Cb -1.30 -2.49 -0.06 0.00 -1.71 0.00 0.00 66.02 60.46 1r27 s SER 323 CO 0.74 -0.37 1.74 1.56 1.20 0.00 0.00 173.24 178.11 1r27 h GLN 324 N 7.15 0.11 0.15 5.44 4.20 -1.91 -1.27 115.11 128.97 1r27 h GLN 324 Ca -0.32 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 1r27 h GLN 324 Cb 1.15 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1r27 h GLN 324 CO 0.83 0.07 -0.07 -0.92 -0.67 0.00 0.00 178.83 178.07 1r27 h TYR 325 N 0.11 -0.18 -0.74 2.96 3.20 -1.93 -2.39 116.97 118.00 1r27 h TYR 325 Ca 0.07 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1r27 h TYR 325 Cb 0.06 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 1r27 h TYR 325 CO -0.12 -0.11 0.47 0.74 -1.64 0.00 0.00 178.16 177.49 1r27 h PHE 326 N -0.20 0.96 -0.00 -3.82 0.04 -1.84 -1.66 116.94 110.41 1r27 h PHE 326 Ca -0.02 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1r27 h PHE 326 Cb 0.15 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 37.98 1r27 h PHE 326 CO -0.07 0.63 0.00 1.15 -0.60 0.00 0.00 178.31 179.42 1r27 h THR 327 N 1.01 1.17 -0.89 -1.55 2.02 -1.18 -1.75 112.91 111.74 1r27 h THR 327 Ca 0.27 -0.50 0.02 0.00 0.77 0.00 0.00 66.41 66.97 1r27 h THR 327 Cb -0.07 1.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.79 1r27 h THR 327 CO -0.05 0.13 0.59 -0.78 0.37 0.00 0.00 175.52 175.77 1r27 h ASP 328 N -0.20 1.00 0.26 4.18 3.58 -1.37 -2.32 116.42 121.54 1r27 h ASP 328 Ca 0.00 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 1r27 h ASP 328 Cb 0.21 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1r27 h ASP 328 CO -0.00 0.71 -0.13 0.22 -2.88 0.00 0.00 179.24 177.16 1r27 h TYR 329 N 1.17 -0.34 0.00 0.28 3.20 -1.09 -2.54 116.97 117.65 1r27 h TYR 329 Ca 0.34 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 1r27 h TYR 329 Cb -0.08 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 1r27 h TYR 329 CO -0.01 -0.21 -0.16 -0.39 -1.64 0.00 0.00 178.16 175.75 1r27 h VAL 330 N -0.36 0.54 -0.18 1.81 -1.51 -1.22 -0.28 116.25 115.06 1r27 h VAL 330 Ca -0.03 -0.77 -0.18 0.00 -1.23 0.00 0.00 66.70 64.49 1r27 h VAL 330 Cb 0.28 1.51 -0.00 0.00 -2.13 0.00 0.00 31.29 30.95 1r27 h VAL 330 CO 0.05 0.16 -0.62 -0.09 -1.23 0.00 0.00 177.57 175.84 1r27 h ARG 331 N 0.00 0.63 0.00 5.19 2.43 -1.16 -2.99 114.38 118.47 1r27 h ARG 331 Ca -0.00 -0.44 -0.22 0.00 -0.81 0.00 0.00 59.98 58.51 1r27 h ARG 331 Cb 0.50 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 1r27 h ARG 331 CO 0.02 1.05 -1.96 0.54 -1.51 0.00 0.00 179.97 178.11 1r27 n ARG 332 N -3.94 0.66 -0.04 0.20 1.74 -0.98 -4.59 116.66 109.71 1r27 n ARG 332 Ca -0.04 0.04 0.06 0.00 -0.77 0.00 0.00 57.85 57.13 1r27 n ARG 332 Cb 0.65 -1.62 0.07 0.00 -1.02 0.00 0.00 32.46 30.54 1r27 n ARG 332 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1r27 n TYR 333 N -2.70 0.11 -4.49 -1.55 4.01 -0.13 -4.99 117.16 107.41 1r27 n TYR 333 Ca -0.18 -0.11 -0.23 0.00 -0.16 0.00 0.00 57.90 57.22 1r27 n TYR 333 Cb 0.92 -0.01 -0.11 0.00 -0.31 0.00 0.00 39.34 39.84 1r27 n TYR 333 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1r27 s THR 334 N -0.98 1.41 -1.47 -0.72 -4.23 -1.13 -1.19 115.64 107.34 1r27 s THR 334 Ca 0.16 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 58.77 1r27 s THR 334 Cb 0.10 -2.83 0.39 0.00 1.34 0.00 0.00 72.50 71.50 1r27 s THR 334 CO 0.15 -0.01 1.25 -0.90 -0.54 0.00 0.00 174.62 174.57 1r27 n ASP 335 N -0.75 2.68 0.01 3.99 5.75 -1.07 -4.39 116.55 122.78 1r27 n ASP 335 Ca -0.03 -2.19 0.11 0.00 -0.01 0.00 0.00 54.79 52.67 1r27 n ASP 335 Cb 0.67 -0.39 0.54 0.00 -1.03 0.00 0.00 41.12 40.90 1r27 n ASP 335 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 1r27 h MET 336 N 2.27 0.29 -0.00 0.11 2.86 -1.86 -0.88 114.93 117.72 1r27 h MET 336 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1r27 h MET 336 Cb 0.83 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1r27 h MET 336 CO 0.10 0.19 -0.02 -2.30 1.06 0.00 0.00 176.91 175.95 1r27 n PRO 337 N -4.47 0.03 -2.18 -0.22 -0.02 -1.26 -0.74 135.00 126.14 1r27 n PRO 337 Ca 0.06 -0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.16 1r27 n PRO 337 Cb 0.28 -1.50 -0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1r27 n PRO 337 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1r27 s MET 338 N -2.97 3.69 0.02 -0.52 -1.94 -0.34 -4.36 119.30 112.88 1r27 s MET 338 Ca 0.15 1.87 -0.18 0.00 -1.71 0.00 0.00 55.69 55.82 1r27 s MET 338 Cb 0.19 -2.42 -0.06 0.00 2.01 0.00 0.00 34.83 34.55 1r27 s MET 338 CO 0.53 -0.63 0.51 -0.51 -0.01 0.00 0.00 175.02 174.91 1r27 s LEU 339 N -3.04 4.47 -0.10 -0.03 1.43 0.21 -1.10 118.68 120.52 1r27 s LEU 339 Ca 0.64 1.10 0.03 0.00 -1.03 0.00 0.00 54.13 54.87 1r27 s LEU 339 Cb -0.31 -2.77 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 1r27 s LEU 339 CO 0.38 0.24 -0.18 -0.69 0.23 0.00 0.00 176.35 176.32 1r27 s VAL 340 N -0.81 2.60 0.03 -1.59 1.01 0.17 -1.02 120.40 120.80 1r27 s VAL 340 Ca 0.27 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 1r27 s VAL 340 Cb -0.18 -2.03 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1r27 s VAL 340 CO 0.16 0.55 0.86 -0.04 0.00 0.00 0.00 175.10 176.63 1r27 s MET 341 N 0.11 4.55 0.13 2.72 1.00 -0.42 -2.09 119.30 125.29 1r27 s MET 341 Ca -0.09 1.23 -0.18 0.00 0.00 0.00 0.00 55.69 56.65 1r27 s MET 341 Cb -0.15 -3.41 -0.07 0.00 0.00 0.00 0.00 34.83 31.20 1r27 s MET 341 CO 0.06 0.13 0.60 -0.51 0.00 0.00 0.00 175.02 175.30 1r27 s LEU 342 N 0.40 4.44 -0.20 -0.03 1.43 -0.68 0.09 118.68 124.14 1r27 s LEU 342 Ca 0.44 1.26 -0.08 0.00 -1.03 0.00 0.00 54.13 54.72 1r27 s LEU 342 Cb -0.21 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 1r27 s LEU 342 CO 0.25 0.18 0.08 -1.61 0.23 0.00 0.00 176.35 175.47 1r27 s GLU 343 N -1.52 3.94 -0.04 1.70 2.02 0.20 -4.68 118.70 120.33 1r27 s GLU 343 Ca 0.34 -0.35 -0.30 0.00 0.02 0.00 0.00 54.97 54.68 1r27 s GLU 343 Cb -0.18 -3.27 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 1r27 s GLU 343 CO 0.20 0.18 1.30 -2.00 0.02 0.00 0.00 175.26 174.96 1r27 s GLU 344 N 0.64 4.31 0.00 1.61 2.12 -1.26 -0.89 118.70 125.22 1r27 s GLU 344 Ca 0.04 1.82 0.00 0.00 0.36 0.00 0.00 54.97 57.18 1r27 s GLU 344 Cb -0.13 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.68 1r27 s GLU 344 CO 0.01 -0.53 0.00 0.54 -0.54 0.00 0.00 175.26 174.75 1r27 n ARG 345 N 5.38 2.83 -2.65 4.30 5.12 -0.03 -4.94 116.66 126.67 1r27 n ARG 345 Ca 0.12 0.00 -0.42 0.00 -1.93 0.00 0.00 57.85 55.62 1r27 n ARG 345 Cb 0.45 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.72 1r27 n ARG 345 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1r27 s ASP 346 N -0.17 6.51 0.00 0.55 2.15 -1.26 -3.98 116.67 120.46 1r27 s ASP 346 Ca 0.00 -1.53 0.00 0.00 0.43 0.00 0.00 52.55 51.45 1r27 s ASP 346 Cb 0.00 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.09 1r27 s ASP 346 CO 0.00 -1.42 0.00 0.61 -0.17 0.00 0.00 175.17 174.19 1r27 n GLY 347 N 6.45 3.29 3.42 2.66 0.00 -1.26 -5.01 105.19 114.73 1r27 n GLY 347 Ca 0.29 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 1r27 n GLY 347 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1r27 s TYR 348 N -2.71 1.07 0.15 1.61 -0.85 -1.26 -4.92 117.35 110.44 1r27 s TYR 348 Ca 0.00 -1.27 0.06 0.00 -0.52 0.00 0.00 57.07 55.35 1r27 s TYR 348 Cb 0.00 -0.23 -0.04 0.00 0.38 0.00 0.00 41.96 42.07 1r27 s TYR 348 CO 0.00 -0.97 0.02 0.71 -1.52 0.00 0.00 175.55 173.79 1r27 s TYR 349 N -3.52 2.92 -0.01 -3.49 2.02 -0.10 -0.85 117.35 114.33 1r27 s TYR 349 Ca 0.32 -0.10 0.06 0.00 -0.37 0.00 0.00 57.07 56.99 1r27 s TYR 349 Cb 0.02 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 1r27 s TYR 349 CO 0.18 0.51 -0.20 0.00 -1.57 0.00 0.00 175.55 174.46 1r27 s ALA 350 N -1.63 2.45 -0.01 3.71 0.00 -0.07 -0.73 121.76 125.48 1r27 s ALA 350 Ca 0.27 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 1r27 s ALA 350 Cb -0.10 -0.73 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 1r27 s ALA 350 CO 0.19 0.55 1.31 0.00 0.00 0.00 0.00 175.76 177.81 1r27 s ALA 351 N -0.75 3.54 0.00 0.00 0.00 -1.26 0.59 121.76 123.88 1r27 s ALA 351 Ca 0.12 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.87 1r27 s ALA 351 Cb -0.10 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.46 1r27 s ALA 351 CO 0.01 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1r27 n GLY 352 N 3.51 2.84 3.81 0.00 0.00 0.11 -4.84 105.19 110.61 1r27 n GLY 352 Ca 0.12 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 1r27 n GLY 352 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1r27 s ARG 353 N 4.08 2.31 0.36 1.61 1.70 -1.26 -4.59 118.95 123.16 1r27 s ARG 353 Ca 0.00 0.72 -0.26 0.00 -0.47 0.00 0.00 55.73 55.72 1r27 s ARG 353 Cb 0.00 -1.94 -0.09 0.00 -0.57 0.00 0.00 34.95 32.35 1r27 s ARG 353 CO 0.00 -1.48 1.07 -1.64 -1.08 0.00 0.00 175.30 172.16 1r27 s MET 354 N -5.13 4.33 0.40 3.89 -1.94 -1.26 -1.30 119.30 118.30 1r27 s MET 354 Ca 0.60 1.62 -0.27 0.00 -1.71 0.00 0.00 55.69 55.93 1r27 s MET 354 Cb -0.14 -2.77 -0.09 0.00 2.01 0.00 0.00 34.83 33.83 1r27 s MET 354 CO 0.54 -0.02 1.39 -1.17 -0.01 0.00 0.00 175.02 175.75 1r27 s LEU 355 N -2.21 4.23 0.20 -0.03 2.96 -0.19 -4.82 118.68 118.82 1r27 s LEU 355 Ca 0.53 2.84 0.11 0.00 -0.22 0.00 0.00 54.13 57.39 1r27 s LEU 355 Cb -0.26 -3.83 -0.04 0.00 0.50 0.00 0.00 46.19 42.56 1r27 s LEU 355 CO 0.32 -0.92 -0.23 -0.13 -1.32 0.00 0.00 176.35 174.06 1r27 s ARG 356 N -2.22 1.52 0.41 1.98 1.81 -1.26 -3.19 118.95 118.00 1r27 s ARG 356 Ca 0.56 -1.54 0.13 0.00 -1.72 0.00 0.00 55.73 53.16 1r27 s ARG 356 Cb -0.42 -1.82 0.96 0.00 -0.45 0.00 0.00 34.95 33.23 1r27 s ARG 356 CO 0.55 0.39 1.94 0.00 -0.68 0.00 0.00 175.30 177.49 1r27 h ALA 357 N 3.12 1.98 0.00 2.13 0.00 -0.92 -0.36 119.26 125.21 1r27 h ALA 357 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1r27 h ALA 357 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1r27 h ALA 357 CO 0.49 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.58 1r27 n ALA 358 N -2.50 1.35 0.21 0.00 0.00 -0.56 -2.14 120.51 116.87 1r27 n ALA 358 Ca 0.13 0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.77 1r27 n ALA 358 Cb 0.43 -1.30 0.20 0.00 0.00 0.00 0.00 19.45 18.78 1r27 n ALA 358 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1r27 h ASP 359 N 0.00 0.00 -2.25 0.00 3.32 -1.36 -3.45 116.42 112.69 1r27 h ASP 359 Ca 0.00 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.60 1r27 h ASP 359 Cb 0.17 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.74 1r27 h ASP 359 CO 0.00 0.14 -0.23 -0.76 -1.72 0.00 0.00 179.24 176.66 1r27 s LEU 360 N -6.30 3.84 0.22 1.55 1.43 -0.91 0.29 118.68 118.79 1r27 s LEU 360 Ca 0.05 0.04 -0.31 0.00 -1.03 0.00 0.00 54.13 52.89 1r27 s LEU 360 Cb 0.06 -2.94 -0.10 0.00 0.03 0.00 0.00 46.19 43.24 1r27 s LEU 360 CO 0.68 -0.54 1.50 0.68 0.23 0.00 0.00 176.35 178.89 1r27 s VAL 361 N -2.34 2.61 -1.53 -1.59 -7.23 -1.26 -1.42 120.40 107.64 1r27 s VAL 361 Ca 0.46 0.48 0.00 0.00 -1.81 0.00 0.00 61.98 61.11 1r27 s VAL 361 Cb -0.10 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.53 1r27 s VAL 361 CO 0.34 0.06 0.00 0.47 -0.31 0.00 0.00 175.10 175.66 1r27 n ASP 362 N 2.93 -4.74 -3.95 4.85 8.00 -1.26 -3.29 116.55 119.09 1r27 n ASP 362 Ca 0.09 0.33 -0.31 0.00 0.71 0.00 0.00 54.79 55.61 1r27 n ASP 362 Cb 0.39 -3.57 -0.06 0.00 -0.02 0.00 0.00 41.12 37.87 1r27 n ASP 362 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r27 n ALA 363 N 0.98 -1.14 -1.88 2.24 0.00 -0.51 0.12 120.51 120.32 1r27 n ALA 363 Ca -0.15 -0.15 -0.18 0.00 0.00 0.00 0.00 53.44 52.96 1r27 n ALA 363 Cb 0.50 -1.94 -0.05 0.00 0.00 0.00 0.00 19.45 17.96 1r27 n ALA 363 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1r27 n LEU 364 N -3.59 -1.44 -0.31 0.00 7.94 -1.21 -1.26 117.00 117.13 1r27 n LEU 364 Ca 0.09 0.28 -0.04 0.00 -1.11 0.00 0.00 56.01 55.23 1r27 n LEU 364 Cb 0.46 -2.57 -0.02 0.00 0.53 0.00 0.00 43.42 41.82 1r27 n LEU 364 CO 0.69 -0.62 -0.04 0.61 -1.11 0.00 0.00 177.39 176.92 1r27 n GLY 365 N -0.58 0.69 3.37 -3.96 0.00 0.32 -4.81 105.19 100.22 1r27 n GLY 365 Ca -0.19 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1r27 n GLY 365 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r27 s GLN 366 N -2.30 2.84 0.08 1.61 -1.52 -0.39 -4.93 119.66 115.05 1r27 s GLN 366 Ca 0.00 -1.23 0.07 0.00 -1.95 0.00 0.00 55.36 52.25 1r27 s GLN 366 Cb 0.00 -3.89 -0.22 0.00 -0.22 0.00 0.00 33.01 28.68 1r27 s GLN 366 CO 0.00 -0.85 1.13 1.05 -0.25 0.00 0.00 175.29 176.36 1r27 h GLU 367 N 8.55 0.02 -5.35 2.91 9.09 -1.93 -3.39 114.58 124.48 1r27 h GLU 367 Ca -0.26 -0.04 -0.60 0.00 0.05 0.00 0.00 59.36 58.51 1r27 h GLU 367 Cb 1.10 0.01 -0.12 0.00 -1.65 0.00 0.00 28.75 28.10 1r27 h GLU 367 CO 0.75 0.91 -0.35 1.21 0.05 0.00 0.00 179.01 181.58 1r27 s ASN 368 N -6.61 6.34 -1.55 3.06 2.47 -1.26 -4.58 114.94 112.80 1r27 s ASN 368 Ca -0.01 0.39 -0.07 0.00 0.42 0.00 0.00 52.86 53.59 1r27 s ASN 368 Cb 0.09 -2.17 0.07 0.00 -1.45 0.00 0.00 41.25 37.80 1r27 s ASN 368 CO 0.83 0.06 0.17 0.59 -3.72 0.00 0.00 177.10 175.02 1r27 n ASN 369 N 3.96 0.11 0.33 -4.21 3.02 -1.26 -4.81 115.26 112.41 1r27 n ASN 369 Ca -0.12 -1.20 0.21 0.00 -0.03 0.00 0.00 54.58 53.45 1r27 n ASN 369 Cb 0.52 -1.50 1.15 0.00 -0.61 0.00 0.00 39.78 39.33 1r27 n ASN 369 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1r27 h PRO 370 N -1.38 0.00 -0.00 3.52 0.13 -1.81 -0.16 132.00 132.30 1r27 h PRO 370 Ca -0.60 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1r27 h PRO 370 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1r27 h PRO 370 CO 0.72 0.00 -0.02 -0.85 -0.23 0.00 0.00 178.00 177.62 1r27 n GLU 371 N -3.14 0.17 -0.52 0.86 0.00 -1.26 -1.49 120.64 115.26 1r27 n GLU 371 Ca -0.03 -0.01 0.05 0.00 0.00 0.00 0.00 57.16 57.18 1r27 n GLU 371 Cb 0.11 -1.50 0.20 0.00 0.00 0.00 0.00 31.44 30.25 1r27 n GLU 371 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.13 178.04 1r27 n TRP 372 N -1.41 0.19 -3.98 -1.84 7.02 -0.07 -4.87 117.44 112.48 1r27 n TRP 372 Ca 0.10 -1.40 -0.30 0.00 -1.02 0.00 0.00 57.50 54.88 1r27 n TRP 372 Cb 0.30 -0.27 -0.16 0.00 -2.42 0.00 0.00 31.31 28.76 1r27 n TRP 372 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1r27 s LYS 373 N -3.16 2.00 0.86 -0.99 1.02 -1.23 -1.41 119.74 116.83 1r27 s LYS 373 Ca 0.38 -0.63 -0.12 0.00 0.02 0.00 0.00 55.97 55.62 1r27 s LYS 373 Cb 0.36 -2.16 0.10 0.00 -0.52 0.00 0.00 37.83 35.61 1r27 s LYS 373 CO -0.04 -0.34 1.10 0.95 -0.92 0.00 0.00 175.35 176.10 1r27 s THR 374 N 1.49 2.78 0.06 2.17 -4.23 -1.26 -1.47 115.64 115.18 1r27 s THR 374 Ca 0.02 0.25 0.05 0.00 -1.18 0.00 0.00 61.69 60.83 1r27 s THR 374 Cb -0.14 -2.87 -0.03 0.00 1.34 0.00 0.00 72.50 70.80 1r27 s THR 374 CO -0.09 -0.33 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.83 1r27 s VAL 375 N -3.06 1.12 0.21 2.29 1.01 -1.19 -4.17 120.40 116.61 1r27 s VAL 375 Ca 0.62 -1.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 1r27 s VAL 375 Cb -0.16 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 1r27 s VAL 375 CO 0.55 -0.16 0.29 0.00 0.00 0.00 0.00 175.10 175.79 1r27 s ALA 376 N -1.15 0.41 -0.14 5.51 0.00 -0.77 -0.62 121.76 125.01 1r27 s ALA 376 Ca -0.01 -1.24 -0.09 0.00 0.00 0.00 0.00 51.96 50.63 1r27 s ALA 376 Cb -0.09 1.16 -0.04 0.00 0.00 0.00 0.00 23.12 24.15 1r27 s ALA 376 CO 0.02 -0.71 0.16 -0.06 0.00 0.00 0.00 175.76 175.17 1r27 s PHE 377 N -4.07 3.55 0.71 0.00 0.08 -1.26 -1.02 117.98 115.97 1r27 s PHE 377 Ca 0.29 0.51 -0.12 0.00 0.12 0.00 0.00 56.93 57.72 1r27 s PHE 377 Cb 0.03 -2.03 0.16 0.00 -0.57 0.00 0.00 43.02 40.61 1r27 s PHE 377 CO 0.09 0.59 0.95 0.27 -0.10 0.00 0.00 175.22 177.03 1r27 n ASN 378 N 2.45 -0.00 0.00 1.36 0.23 0.71 -0.27 115.26 119.73 1r27 n ASN 378 Ca -0.18 -1.33 0.08 0.00 -0.53 0.00 0.00 54.58 52.62 1r27 n ASN 378 Cb 0.54 -0.73 0.48 0.00 -2.08 0.00 0.00 39.78 37.99 1r27 n ASN 378 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1r27 n THR 379 N -3.36 0.00 -0.60 5.53 5.66 0.18 -2.57 114.28 119.12 1r27 n THR 379 Ca 0.12 0.00 0.07 0.00 -3.05 0.00 0.00 64.05 61.19 1r27 n THR 379 Cb 0.42 -0.45 0.18 0.00 -1.55 0.00 0.00 70.33 68.92 1r27 n THR 379 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1r27 n ASN 380 N -0.83 3.18 0.00 1.09 3.02 -1.26 -4.97 115.26 115.49 1r27 n ASN 380 Ca 0.12 -2.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.12 1r27 n ASN 380 Cb 0.06 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 1r27 n ASN 380 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r27 n GLY 381 N -0.24 0.54 3.88 7.41 0.00 -1.06 -5.02 105.19 110.70 1r27 n GLY 381 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1r27 n GLY 381 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r27 s GLU 382 N -0.27 3.67 0.19 1.61 2.02 -1.26 -4.84 118.70 119.82 1r27 s GLU 382 Ca 0.00 0.03 -0.23 0.00 0.02 0.00 0.00 54.97 54.79 1r27 s GLU 382 Cb 0.00 -2.97 -0.08 0.00 0.10 0.00 0.00 34.13 31.18 1r27 s GLU 382 CO 0.00 0.55 0.76 -1.64 0.02 0.00 0.00 175.26 174.96 1r27 s MET 383 N -2.10 4.46 -0.03 1.61 -1.94 -1.26 -0.21 119.30 119.83 1r27 s MET 383 Ca 0.34 1.06 -0.13 0.00 -1.71 0.00 0.00 55.69 55.25 1r27 s MET 383 Cb -0.13 -3.11 0.02 0.00 2.01 0.00 0.00 34.83 33.62 1r27 s MET 383 CO 0.20 0.50 0.29 0.14 -0.01 0.00 0.00 175.02 176.14 1r27 s VAL 384 N -1.30 0.05 -0.51 -6.03 -7.23 -0.19 -4.91 120.40 100.28 1r27 s VAL 384 Ca 0.39 -0.42 -0.15 0.00 -1.81 0.00 0.00 61.98 59.98 1r27 s VAL 384 Cb -0.21 -0.57 0.11 0.00 0.56 0.00 0.00 36.38 36.27 1r27 s VAL 384 CO 0.24 -0.23 0.45 0.00 -0.31 0.00 0.00 175.10 175.25 1r27 s ALA 385 N -1.10 3.60 0.67 1.32 0.00 -1.26 -1.84 121.76 123.15 1r27 s ALA 385 Ca -0.12 -2.40 -0.17 0.00 0.00 0.00 0.00 51.96 49.28 1r27 s ALA 385 Cb -0.05 -3.17 0.01 0.00 0.00 0.00 0.00 23.12 19.91 1r27 s ALA 385 CO 0.03 -1.91 1.22 -2.14 0.00 0.00 0.00 175.76 172.96 1r27 s PRO 386 N 1.59 2.49 0.77 0.00 0.02 -1.26 -0.05 135.00 138.57 1r27 s PRO 386 Ca 0.03 1.82 -0.15 0.00 0.02 0.00 0.00 61.00 62.73 1r27 s PRO 386 Cb -0.28 -1.87 0.06 0.00 0.02 0.00 0.00 34.50 32.43 1r27 s PRO 386 CO 0.04 -1.58 1.22 0.09 -0.33 0.00 0.00 177.00 176.44 1r27 n ASN 387 N -2.22 1.26 0.00 2.53 5.03 -0.71 -3.99 115.26 117.16 1r27 n ASN 387 Ca 0.14 0.65 0.00 0.00 0.87 0.00 0.00 54.58 56.24 1r27 n ASN 387 Cb 0.50 -1.52 0.00 0.00 -1.02 0.00 0.00 39.78 37.74 1r27 n ASN 387 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1r27 n GLY 388 N 0.66 3.43 3.74 7.41 0.00 -0.81 -4.76 105.19 114.85 1r27 n GLY 388 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1r27 n GLY 388 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r27 s SER 389 N -1.02 4.47 0.62 1.61 1.04 -1.19 -3.67 113.70 115.56 1r27 s SER 389 Ca 0.00 2.21 0.29 0.00 0.48 0.00 0.00 55.95 58.93 1r27 s SER 389 Cb 0.00 -2.57 1.53 0.00 0.10 0.00 0.00 66.02 65.08 1r27 s SER 389 CO 0.00 -2.07 1.91 -0.29 0.98 0.00 0.00 173.24 173.77 1r27 h ILE 390 N -0.26 0.21 0.00 -1.02 6.09 -0.91 -1.62 117.51 120.01 1r27 h ILE 390 Ca -0.47 0.00 -0.05 0.00 -1.37 0.00 0.00 64.86 62.97 1r27 h ILE 390 Cb 1.28 0.65 -0.01 0.00 0.47 0.00 0.00 36.82 39.20 1r27 h ILE 390 CO 0.51 0.00 -0.24 1.23 -3.07 0.00 0.00 178.15 176.58 1r27 h GLY 391 N 0.00 0.00 1.92 8.18 0.00 -1.48 -2.02 103.07 109.67 1r27 h GLY 391 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1r27 h GLY 391 CO -0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 1r27 n PHE 392 N -4.12 0.00 0.09 5.60 3.01 -0.61 -3.79 117.46 117.64 1r27 n PHE 392 Ca -0.02 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.39 1r27 n PHE 392 Cb 0.30 -0.46 0.11 0.00 -0.01 0.00 0.00 39.48 39.43 1r27 n PHE 392 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1r27 h ARG 393 N 0.00 0.19 -5.82 -1.08 2.43 -1.49 -3.39 114.38 105.22 1r27 h ARG 393 Ca 0.00 -0.14 -0.50 0.00 -0.81 0.00 0.00 59.98 58.53 1r27 h ARG 393 Cb 0.46 0.02 -0.20 0.00 -0.42 0.00 0.00 29.97 29.83 1r27 h ARG 393 CO 0.00 0.76 -0.79 -1.58 -1.51 0.00 0.00 179.97 176.85 1r27 s TRP 394 N -3.67 1.62 0.00 2.20 0.52 -1.25 -4.75 118.94 113.61 1r27 s TRP 394 Ca -0.03 -0.47 0.00 0.00 0.02 0.00 0.00 56.10 55.62 1r27 s TRP 394 Cb 0.12 -0.86 0.00 0.00 -1.15 0.00 0.00 33.47 31.58 1r27 s TRP 394 CO 0.79 0.20 0.00 0.41 0.02 0.00 0.00 176.95 178.37 1r27 n GLY 395 N 0.82 1.94 3.77 0.98 0.00 -1.26 -4.88 105.19 106.56 1r27 n GLY 395 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1r27 n GLY 395 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r27 s GLU 396 N -0.24 2.23 0.04 1.61 -1.05 -1.26 -5.03 118.70 115.01 1r27 s GLU 396 Ca 0.00 -1.50 -0.01 0.00 -0.15 0.00 0.00 54.97 53.30 1r27 s GLU 396 Cb 0.00 0.61 -0.03 0.00 -0.44 0.00 0.00 34.13 34.27 1r27 s GLU 396 CO 0.00 -1.04 -0.01 0.15 0.95 0.00 0.00 175.26 175.31 1r27 s LYS 397 N -2.29 0.51 0.00 -4.83 1.02 -1.26 -4.84 119.74 108.05 1r27 s LYS 397 Ca 0.17 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1r27 s LYS 397 Cb -0.05 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.45 1r27 s LYS 397 CO 0.13 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 1r27 n GLY 398 N 0.65 0.99 0.00 -3.33 0.00 -0.76 -4.88 105.19 97.87 1r27 n GLY 398 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1r27 n GLY 398 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r27 n LYS 399 N -2.00 0.76 -2.62 1.61 4.76 -1.22 -4.28 118.16 115.17 1r27 n LYS 399 Ca 0.00 -0.87 -0.43 0.00 -2.87 0.00 0.00 58.31 54.14 1r27 n LYS 399 Cb 0.00 -0.93 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 1r27 n LYS 399 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 1r27 n TRP 400 N -0.20 3.90 -3.94 2.13 -0.00 -1.15 -1.92 117.44 116.25 1r27 n TRP 400 Ca 0.00 -3.05 -0.09 0.00 -0.00 0.00 0.00 57.50 54.35 1r27 n TRP 400 Cb 0.15 -2.07 -0.06 0.00 -0.00 0.00 0.00 31.31 29.33 1r27 n TRP 400 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1r27 s ASN 401 N 1.82 -0.05 -0.36 5.87 2.20 -1.26 -3.90 114.94 119.25 1r27 s ASN 401 Ca 0.41 -0.84 0.04 0.00 -0.94 0.00 0.00 52.86 51.53 1r27 s ASN 401 Cb 0.04 0.51 0.57 0.00 -2.00 0.00 0.00 41.25 40.37 1r27 s ASN 401 CO 0.00 -1.00 1.75 0.18 -2.94 0.00 0.00 177.10 175.09 1r27 n LEU 402 N -0.30 6.02 -4.76 3.54 4.77 0.66 -2.45 117.00 124.48 1r27 n LEU 402 Ca -0.05 -3.19 -0.40 0.00 -0.03 0.00 0.00 56.01 52.34 1r27 n LEU 402 Cb 0.63 -0.77 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 1r27 n LEU 402 CO 0.23 0.92 0.83 -1.61 -1.33 0.00 0.00 177.39 176.43 1r27 s GLU 403 N -2.73 4.45 -1.28 3.23 2.02 -1.26 -4.89 118.70 118.23 1r27 s GLU 403 Ca 0.47 1.86 -0.18 0.00 0.02 0.00 0.00 54.97 57.15 1r27 s GLU 403 Cb 0.40 -3.02 0.08 0.00 0.10 0.00 0.00 34.13 31.68 1r27 s GLU 403 CO 0.10 0.02 1.70 -0.65 0.02 0.00 0.00 175.26 176.44 1r27 s GLN 404 N -1.75 4.00 0.08 1.61 -1.52 -1.26 -4.46 119.66 116.36 1r27 s GLN 404 Ca 0.49 -2.06 0.05 0.00 -1.95 0.00 0.00 55.36 51.89 1r27 s GLN 404 Cb -0.32 -5.48 -0.03 0.00 -0.22 0.00 0.00 33.01 26.96 1r27 s GLN 404 CO 0.42 -2.20 -0.13 1.03 -0.25 0.00 0.00 175.29 174.15 1r27 s ARG 405 N 3.92 0.84 -0.02 2.91 0.52 -1.26 -1.57 118.95 124.28 1r27 s ARG 405 Ca 0.53 -1.02 -0.30 0.00 -0.52 0.00 0.00 55.73 54.41 1r27 s ARG 405 Cb 0.03 -0.77 -0.05 0.00 0.52 0.00 0.00 34.95 34.68 1r27 s ARG 405 CO 0.07 0.16 1.43 0.34 0.02 0.00 0.00 175.30 177.32 1r27 s ASP 406 N -1.95 6.83 0.00 0.23 -1.08 0.13 -1.74 116.67 119.08 1r27 s ASP 406 Ca 0.00 2.09 0.14 0.00 -0.52 0.00 0.00 52.55 54.27 1r27 s ASP 406 Cb -0.08 -2.55 0.77 0.00 -1.46 0.00 0.00 42.92 39.60 1r27 s ASP 406 CO 0.02 -0.76 1.34 0.61 0.52 0.00 0.00 175.17 176.90 1r27 n GLY 407 N 3.72 -0.62 0.48 2.66 0.00 0.93 -1.04 105.19 111.32 1r27 n GLY 407 Ca 0.14 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1r27 n GLY 407 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r27 n LYS 408 N -1.17 0.33 0.13 1.61 3.00 -1.26 -4.75 118.16 116.06 1r27 n LYS 408 Ca 0.08 0.14 0.05 0.00 -0.00 0.00 0.00 58.31 58.58 1r27 n LYS 408 Cb 0.09 -1.07 0.03 0.00 0.00 0.00 0.00 35.03 34.07 1r27 n LYS 408 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1r27 h THR 409 N -0.60 0.54 0.00 3.15 1.35 -1.96 -3.47 112.91 111.92 1r27 h THR 409 Ca -0.20 -1.81 0.00 0.00 -0.55 0.00 0.00 66.41 63.85 1r27 h THR 409 Cb 0.96 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 1r27 h THR 409 CO -0.12 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.07 1r27 n GLY 410 N 1.23 1.06 3.84 5.82 0.00 -0.20 -5.01 105.19 111.93 1r27 n GLY 410 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1r27 n GLY 410 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r27 s GLU 411 N -0.12 4.04 0.42 1.61 0.41 -1.26 -4.67 118.70 119.12 1r27 s GLU 411 Ca 0.00 0.93 -0.25 0.00 -0.41 0.00 0.00 54.97 55.24 1r27 s GLU 411 Cb 0.00 -2.21 -0.08 0.00 -1.78 0.00 0.00 34.13 30.06 1r27 s GLU 411 CO 0.00 -0.11 1.27 -1.21 -0.49 0.00 0.00 175.26 174.72 1r27 s GLU 412 N -3.61 3.91 0.09 1.61 2.02 -1.26 -0.70 118.70 120.77 1r27 s GLU 412 Ca 0.59 2.07 -0.04 0.00 0.02 0.00 0.00 54.97 57.60 1r27 s GLU 412 Cb -0.10 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.43 1r27 s GLU 412 CO 0.23 -0.51 0.10 0.95 0.02 0.00 0.00 175.26 176.05 1r27 s THR 413 N -1.32 0.15 -0.19 3.63 -4.23 -0.61 -4.81 115.64 108.27 1r27 s THR 413 Ca 0.58 -1.58 0.01 0.00 -1.18 0.00 0.00 61.69 59.53 1r27 s THR 413 Cb -0.36 -1.62 0.03 0.00 1.34 0.00 0.00 72.50 71.89 1r27 s THR 413 CO 0.46 -0.68 -0.16 -0.70 -0.54 0.00 0.00 174.62 172.99 1r27 s GLU 414 N -3.93 2.61 0.35 3.99 2.12 -1.26 -4.60 118.70 117.97 1r27 s GLU 414 Ca 0.11 -0.86 -0.26 0.00 0.36 0.00 0.00 54.97 54.32 1r27 s GLU 414 Cb 0.06 -2.51 -0.09 0.00 0.26 0.00 0.00 34.13 31.85 1r27 s GLU 414 CO -0.06 -0.30 1.09 -0.51 -0.54 0.00 0.00 175.26 174.93 1r27 s LEU 415 N 1.31 4.32 0.00 2.70 1.43 -1.26 0.51 118.68 127.69 1r27 s LEU 415 Ca 0.02 2.18 -0.23 0.00 -1.03 0.00 0.00 54.13 55.08 1r27 s LEU 415 Cb -0.15 -3.93 -0.05 0.00 0.03 0.00 0.00 46.19 42.10 1r27 s LEU 415 CO -0.11 -0.38 0.68 -1.58 0.23 0.00 0.00 176.35 175.19 1r27 s GLN 416 N -2.03 4.41 -0.04 1.70 2.00 0.62 -4.69 119.66 121.62 1r27 s GLN 416 Ca 0.52 0.88 -0.01 0.00 -2.00 0.00 0.00 55.36 54.75 1r27 s GLN 416 Cb -0.27 -3.37 -0.00 0.00 0.80 0.00 0.00 33.01 30.16 1r27 s GLN 416 CO 0.35 0.27 -0.03 -0.07 -0.50 0.00 0.00 175.29 175.32 1r27 h LEU 417 N 5.88 0.00 -9.68 3.68 3.38 -1.91 -3.42 115.31 113.24 1r27 h LEU 417 Ca -0.44 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 56.89 1r27 h LEU 417 Cb 1.20 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.87 1r27 h LEU 417 CO 0.71 0.23 -0.55 -0.55 0.09 0.00 0.00 178.44 178.37 1r27 s SER 418 N -4.12 5.94 0.15 -0.43 0.15 -1.26 -4.61 113.70 109.51 1r27 s SER 418 Ca -0.02 0.20 0.23 0.00 0.70 0.00 0.00 55.95 57.05 1r27 s SER 418 Cb 0.00 -1.75 0.12 0.00 -1.71 0.00 0.00 66.02 62.68 1r27 s SER 418 CO 0.03 0.24 1.13 0.18 1.20 0.00 0.00 173.24 176.03 1r27 n LEU 419 N 0.91 0.76 -4.65 3.45 4.77 -1.26 -4.89 117.00 116.08 1r27 n LEU 419 Ca -0.11 0.24 -0.50 0.00 -0.03 0.00 0.00 56.01 55.61 1r27 n LEU 419 Cb 0.52 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1r27 n LEU 419 CO 0.42 -0.11 1.53 -0.11 -1.33 0.00 0.00 177.39 177.79 1r27 n LEU 420 N -2.38 3.06 0.00 2.23 7.94 -1.26 -0.45 117.00 126.14 1r27 n LEU 420 Ca 0.01 0.87 0.00 0.00 -1.11 0.00 0.00 56.01 55.78 1r27 n LEU 420 Cb 0.50 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.12 1r27 n LEU 420 CO 0.39 -0.25 0.00 0.61 -1.11 0.00 0.00 177.39 177.03 1r27 n GLY 421 N 4.77 1.11 0.60 -3.96 0.00 -1.26 -4.87 105.19 101.58 1r27 n GLY 421 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1r27 n GLY 421 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r27 n SER 422 N 0.00 0.07 -4.83 1.61 3.41 0.40 -5.11 113.62 109.17 1r27 n SER 422 Ca 0.00 -1.84 -0.32 0.00 -0.26 0.00 0.00 58.87 56.45 1r27 n SER 422 Cb 0.00 -0.17 -0.01 0.00 -0.26 0.00 0.00 64.21 63.77 1r27 n SER 422 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1r27 s GLN 423 N 0.00 3.64 0.23 4.33 0.00 -1.01 -4.95 119.66 121.90 1r27 s GLN 423 Ca 0.03 1.00 0.22 0.00 -0.00 0.00 0.00 55.36 56.61 1r27 s GLN 423 Cb 0.04 -2.09 0.04 0.00 0.00 0.00 0.00 33.01 31.00 1r27 s GLN 423 CO -0.02 -0.53 1.11 -0.44 0.00 0.00 0.00 175.29 175.41 1r27 h ASP 424 N 0.48 0.00 -0.24 12.60 3.32 -0.79 -3.48 116.42 128.31 1r27 h ASP 424 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1r27 h ASP 424 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1r27 h ASP 424 CO 0.60 0.03 0.00 -1.84 -1.72 0.00 0.00 179.24 176.31 1r27 n GLU 425 N -2.75 0.00 -4.18 3.56 0.28 -1.18 -5.02 120.64 111.36 1r27 n GLU 425 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.78 1r27 n GLU 425 Cb 0.56 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 33.27 1r27 n GLU 425 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1r27 s ILE 426 N -2.33 0.72 0.22 3.84 1.01 -1.26 -2.22 121.20 121.18 1r27 s ILE 426 Ca 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 60.65 60.55 1r27 s ILE 426 Cb 0.00 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.69 1r27 s ILE 426 CO 0.00 0.28 -0.09 0.00 0.00 0.00 0.00 174.94 175.12 1r27 s ALA 427 N 1.09 2.95 -0.33 9.38 0.00 -0.79 -4.93 121.76 129.13 1r27 s ALA 427 Ca -0.08 -1.58 -0.11 0.00 0.00 0.00 0.00 51.96 50.18 1r27 s ALA 427 Cb -0.14 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.31 1r27 s ALA 427 CO -0.01 0.39 0.20 -1.83 0.00 0.00 0.00 175.76 174.51 1r27 s GLU 428 N -3.12 3.40 -0.10 0.00 -1.05 -1.26 -1.05 118.70 115.52 1r27 s GLU 428 Ca 0.27 -0.70 -0.03 0.00 -0.15 0.00 0.00 54.97 54.36 1r27 s GLU 428 Cb -0.08 -3.71 -0.03 0.00 -0.44 0.00 0.00 34.13 29.87 1r27 s GLU 428 CO 0.16 -0.45 0.02 0.08 0.95 0.00 0.00 175.26 176.02 1r27 s VAL 429 N 1.67 4.46 -0.08 1.83 1.01 0.15 -0.92 120.40 128.52 1r27 s VAL 429 Ca 0.05 -0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.68 1r27 s VAL 429 Cb -0.17 -2.89 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 1r27 s VAL 429 CO 0.09 0.60 0.44 -0.83 0.00 0.00 0.00 175.10 175.39 1r27 s GLY 430 N -0.80 2.41 -0.09 4.51 0.00 0.09 -0.43 107.32 113.01 1r27 s GLY 430 Ca 0.12 -0.22 0.04 0.00 0.00 0.00 0.00 44.72 44.67 1r27 s GLY 430 CO 0.02 0.54 -0.24 -1.36 0.00 0.00 0.00 173.10 172.06 1r27 s PHE 431 N 0.03 2.54 0.37 1.90 0.40 0.09 -4.61 117.98 118.70 1r27 s PHE 431 Ca 0.24 -1.01 -0.27 0.00 -0.60 0.00 0.00 56.93 55.30 1r27 s PHE 431 Cb -0.16 -1.69 -0.09 0.00 0.51 0.00 0.00 43.02 41.59 1r27 s PHE 431 CO 0.11 -0.39 1.20 -1.25 0.70 0.00 0.00 175.22 175.58 1r27 s PRO 432 N 0.28 4.20 -0.08 0.24 0.04 -1.26 -0.42 135.00 137.99 1r27 s PRO 432 Ca -0.17 1.94 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1r27 s PRO 432 Cb -0.17 -2.84 0.02 0.00 0.04 0.00 0.00 34.50 31.55 1r27 s PRO 432 CO 0.08 -0.23 -0.06 -0.47 0.04 0.00 0.00 177.00 176.37 1r27 s TYR 433 N -1.31 1.16 -0.88 0.56 5.04 -0.35 -4.87 117.35 116.71 1r27 s TYR 433 Ca 0.53 -0.48 0.08 0.00 -2.44 0.00 0.00 57.07 54.76 1r27 s TYR 433 Cb -0.33 -1.00 0.04 0.00 0.35 0.00 0.00 41.96 41.01 1r27 s TYR 433 CO 0.43 -0.37 0.68 1.19 -1.34 0.00 0.00 175.55 176.13 1r27 n PHE 434 N 4.64 0.00 0.00 4.97 3.01 -1.26 -4.47 117.46 124.35 1r27 n PHE 434 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.31 1r27 n PHE 434 Cb 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 1r27 n PHE 434 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1r27 n GLY 435 N 0.56 -0.18 0.16 1.37 0.00 -1.26 -0.91 105.19 104.92 1r27 n GLY 435 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 1r27 n GLY 435 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r27 n GLY 436 N -1.13 0.76 1.85 -0.02 0.00 -1.23 -1.78 105.19 103.65 1r27 n GLY 436 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 46.02 45.98 1r27 n GLY 436 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1r27 n ASP 437 N 0.00 5.55 -3.40 1.61 8.00 -0.09 -4.85 116.55 123.37 1r27 n ASP 437 Ca 0.03 -2.98 -0.30 0.00 0.71 0.00 0.00 54.79 52.25 1r27 n ASP 437 Cb 0.18 -0.69 0.29 0.00 -0.02 0.00 0.00 41.12 40.89 1r27 n ASP 437 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r27 n GLY 438 N 0.46 -3.68 3.99 0.44 0.00 -1.26 -4.97 105.19 100.18 1r27 n GLY 438 Ca 0.29 -1.61 -0.21 0.00 0.00 0.00 0.00 46.02 44.48 1r27 n GLY 438 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1r27 s THR 439 N -2.14 2.50 -0.38 2.61 -1.32 -1.26 -4.98 115.64 110.66 1r27 s THR 439 Ca 0.66 -0.70 0.24 0.00 -1.21 0.00 0.00 61.69 60.68 1r27 s THR 439 Cb -0.13 -2.79 0.26 0.00 -1.51 0.00 0.00 72.50 68.32 1r27 s THR 439 CO 0.57 0.00 1.73 1.05 -2.21 0.00 0.00 174.62 175.76 1r27 h GLU 440 N -0.04 0.00 0.00 7.08 4.11 -1.99 -2.89 114.58 120.85 1r27 h GLU 440 Ca -0.39 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1r27 h GLU 440 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1r27 h GLU 440 CO 0.47 0.00 -0.30 0.72 0.07 0.00 0.00 179.01 179.97 1r27 n HIS 441 N -2.32 0.08 -4.37 2.06 8.25 -1.26 -4.88 115.22 112.79 1r27 n HIS 441 Ca 0.01 0.02 -0.24 0.00 -0.26 0.00 0.00 57.72 57.26 1r27 n HIS 441 Cb 0.20 -0.41 -0.12 0.00 1.12 0.00 0.00 29.99 30.79 1r27 n HIS 441 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1r27 s PHE 442 N -3.02 2.02 0.39 4.41 0.40 -1.09 -5.12 117.98 115.97 1r27 s PHE 442 Ca 0.12 -0.42 -0.24 0.00 -0.60 0.00 0.00 56.93 55.79 1r27 s PHE 442 Cb 0.18 -1.01 -0.09 0.00 0.51 0.00 0.00 43.02 42.60 1r27 s PHE 442 CO 0.63 0.39 1.03 -0.80 0.70 0.00 0.00 175.22 177.18 1r27 s ASN 443 N -2.61 6.83 0.16 1.36 0.01 -1.26 -4.64 114.94 114.79 1r27 s ASN 443 Ca 0.17 1.99 0.02 0.00 -0.71 0.00 0.00 52.86 54.33 1r27 s ASN 443 Cb -0.07 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 38.96 1r27 s ASN 443 CO 0.08 -0.44 -0.01 -1.59 -1.51 0.00 0.00 177.10 173.63 1r27 s LYS 444 N -2.50 1.06 -0.20 -0.60 -2.85 -1.26 -4.78 119.74 108.62 1r27 s LYS 444 Ca 0.57 -1.50 -0.01 0.00 -1.00 0.00 0.00 55.97 54.03 1r27 s LYS 444 Cb -0.21 -0.23 0.06 0.00 -2.06 0.00 0.00 37.83 35.39 1r27 s LYS 444 CO 0.26 -0.12 -0.01 0.08 0.10 0.00 0.00 175.35 175.66 1r27 s VAL 445 N -3.67 0.93 -0.09 1.79 1.01 -0.73 -4.92 120.40 114.71 1r27 s VAL 445 Ca 0.22 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 1r27 s VAL 445 Cb 0.06 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.13 1r27 s VAL 445 CO 0.03 -0.10 1.02 -1.61 0.00 0.00 0.00 175.10 174.43 1r27 s GLU 446 N 1.68 4.44 0.00 2.72 2.02 -1.26 -3.49 118.70 124.80 1r27 s GLU 446 Ca -0.02 1.41 0.00 0.00 0.02 0.00 0.00 54.97 56.38 1r27 s GLU 446 Cb -0.17 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.53 1r27 s GLU 446 CO -0.07 -0.29 0.00 1.28 0.02 0.00 0.00 175.26 176.20 1r27 n LEU 447 N 4.88 0.00 -3.76 1.80 4.77 -1.26 -5.06 117.00 118.36 1r27 n LEU 447 Ca 0.09 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1r27 n LEU 447 Cb 0.49 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.45 1r27 n LEU 447 CO 0.52 0.00 -0.13 -1.61 -1.33 0.00 0.00 177.39 174.84 1r27 s GLU 448 N 1.37 0.21 0.58 3.23 2.02 -1.26 -5.02 118.70 119.84 1r27 s GLU 448 Ca 0.00 0.41 0.29 0.00 0.02 0.00 0.00 54.97 55.69 1r27 s GLU 448 Cb 0.00 -0.02 1.45 0.00 0.10 0.00 0.00 34.13 35.67 1r27 s GLU 448 CO 0.00 -0.10 1.87 -0.91 0.02 0.00 0.00 175.26 176.14 1r27 h ASN 449 N 6.57 0.00 -3.31 -0.19 2.35 -1.95 -3.37 115.58 115.69 1r27 h ASN 449 Ca -0.34 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 54.97 1r27 h ASN 449 Cb 1.17 0.00 -0.37 0.00 0.05 0.00 0.00 38.32 39.18 1r27 h ASN 449 CO 0.38 0.00 -0.77 -0.69 -1.65 0.00 0.00 177.43 174.70 1r27 s VAL 450 N -4.68 0.50 -0.24 2.81 1.01 -1.26 -1.21 120.40 117.33 1r27 s VAL 450 Ca -0.04 -0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 1r27 s VAL 450 Cb 0.17 -0.60 -0.03 0.00 0.00 0.00 0.00 36.38 35.91 1r27 s VAL 450 CO 0.59 0.26 0.08 -0.76 0.00 0.00 0.00 175.10 175.27 1r27 s LEU 451 N 1.62 3.57 0.07 3.92 1.43 0.44 -4.87 118.68 124.84 1r27 s LEU 451 Ca 0.00 -0.13 -0.24 0.00 -1.03 0.00 0.00 54.13 52.73 1r27 s LEU 451 Cb -0.13 -1.95 -0.06 0.00 0.03 0.00 0.00 46.19 44.08 1r27 s LEU 451 CO -0.04 0.00 0.72 -0.76 0.23 0.00 0.00 176.35 176.50 1r27 s LEU 452 N 1.39 4.48 0.09 1.79 1.43 -1.26 -0.73 118.68 125.88 1r27 s LEU 452 Ca 0.05 1.42 0.06 0.00 -1.03 0.00 0.00 54.13 54.64 1r27 s LEU 452 Cb -0.15 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 1r27 s LEU 452 CO 0.04 0.10 -0.16 -1.00 0.23 0.00 0.00 176.35 175.57 1r27 s HIS 453 N -0.43 1.39 -0.27 0.29 3.76 0.43 -4.59 115.29 115.87 1r27 s HIS 453 Ca 0.36 -0.48 -0.24 0.00 -0.15 0.00 0.00 55.06 54.55 1r27 s HIS 453 Cb -0.21 -0.76 -0.00 0.00 1.11 0.00 0.00 32.58 32.72 1r27 s HIS 453 CO 0.22 0.12 0.81 0.15 -0.85 0.00 0.00 174.74 175.19 1r27 s LYS 454 N -2.06 4.09 -0.04 1.40 1.02 -1.26 -0.67 119.74 122.21 1r27 s LYS 454 Ca 0.03 0.78 0.05 0.00 0.02 0.00 0.00 55.97 56.84 1r27 s LYS 454 Cb -0.08 -3.68 -0.00 0.00 -0.52 0.00 0.00 37.83 33.54 1r27 s LYS 454 CO 0.03 -0.59 -0.18 -0.51 -0.92 0.00 0.00 175.35 173.18 1r27 s LEU 455 N 2.90 1.94 0.18 3.17 2.01 -0.22 -4.98 118.68 123.68 1r27 s LEU 455 Ca 0.34 -0.36 -0.30 0.00 0.01 0.00 0.00 54.13 53.82 1r27 s LEU 455 Cb -0.15 -1.00 -0.08 0.00 0.01 0.00 0.00 46.19 44.98 1r27 s LEU 455 CO 0.10 0.16 1.16 -2.16 1.01 0.00 0.00 176.35 176.62 1r27 s PRO 456 N -0.01 4.53 0.11 1.29 0.04 -1.26 -1.89 135.00 137.81 1r27 s PRO 456 Ca -0.03 1.81 0.02 0.00 0.04 0.00 0.00 61.00 62.85 1r27 s PRO 456 Cb -0.11 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 1r27 s PRO 456 CO 0.02 -0.02 -0.07 0.08 0.04 0.00 0.00 177.00 177.05 1r27 s VAL 457 N -0.15 0.82 0.02 -0.36 1.01 -0.94 -4.65 120.40 116.15 1r27 s VAL 457 Ca 0.51 -1.97 0.08 0.00 0.00 0.00 0.00 61.98 60.60 1r27 s VAL 457 Cb -0.31 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 1r27 s VAL 457 CO 0.36 -0.83 -0.24 -0.54 0.00 0.00 0.00 175.10 173.85 1r27 s LYS 458 N -3.81 1.76 -0.20 2.72 -0.14 -0.77 0.01 119.74 119.31 1r27 s LYS 458 Ca 0.13 -0.99 -0.15 0.00 -1.36 0.00 0.00 55.97 53.61 1r27 s LYS 458 Cb 0.05 -1.84 -0.04 0.00 -1.68 0.00 0.00 37.83 34.31 1r27 s LYS 458 CO -0.03 0.49 0.34 1.03 -0.76 0.00 0.00 175.35 176.42 1r27 s ARG 459 N -0.99 4.16 0.07 1.68 0.52 -1.26 -1.71 118.95 121.42 1r27 s ARG 459 Ca 0.10 0.10 0.09 0.00 -0.52 0.00 0.00 55.73 55.50 1r27 s ARG 459 Cb -0.09 -3.53 -0.03 0.00 0.52 0.00 0.00 34.95 31.82 1r27 s ARG 459 CO 0.01 0.01 -0.23 -0.51 0.02 0.00 0.00 175.30 174.59 1r27 s LEU 460 N 1.17 2.21 -0.34 2.53 1.43 0.36 -4.96 118.68 121.08 1r27 s LEU 460 Ca 0.17 -0.61 -0.12 0.00 -1.03 0.00 0.00 54.13 52.54 1r27 s LEU 460 Cb -0.14 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.97 1r27 s LEU 460 CO 0.07 0.18 0.22 -1.58 0.23 0.00 0.00 176.35 175.47 1r27 s GLN 461 N -1.45 3.38 1.09 1.70 0.74 -1.26 -0.89 119.66 122.97 1r27 s GLN 461 Ca 0.10 -0.72 -0.17 0.00 0.05 0.00 0.00 55.36 54.62 1r27 s GLN 461 Cb -0.10 -3.76 0.24 0.00 1.10 0.00 0.00 33.01 30.49 1r27 s GLN 461 CO 0.03 -0.48 1.16 -0.51 -0.55 0.00 0.00 175.29 174.94 1r27 s LEU 462 N 1.68 1.40 0.56 3.68 1.43 0.72 -4.74 118.68 123.42 1r27 s LEU 462 Ca 0.05 0.64 0.30 0.00 -1.03 0.00 0.00 54.13 54.09 1r27 s LEU 462 Cb -0.18 -2.57 1.65 0.00 0.03 0.00 0.00 46.19 45.13 1r27 s LEU 462 CO 0.09 -3.52 2.16 0.00 0.23 0.00 0.00 176.35 175.31 1r27 h ALA 463 N -2.17 1.33 -0.10 4.21 0.00 -0.39 -1.48 119.26 120.68 1r27 h ALA 463 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1r27 h ALA 463 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1r27 h ALA 463 CO 0.41 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.34 1r27 n ASP 464 N -3.65 1.41 0.00 0.00 5.75 -1.26 -4.85 116.55 113.94 1r27 n ASP 464 Ca -0.02 -1.58 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 1r27 n ASP 464 Cb 0.17 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1r27 n ASP 464 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1r27 n GLY 465 N 1.11 2.19 3.80 6.12 0.00 -0.56 -5.05 105.19 112.80 1r27 n GLY 465 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1r27 n GLY 465 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r27 s SER 466 N -1.94 4.15 0.01 1.61 1.04 -1.26 -4.69 113.70 112.62 1r27 s SER 466 Ca 0.00 1.20 0.03 0.00 0.48 0.00 0.00 55.95 57.66 1r27 s SER 466 Cb 0.00 -1.88 -0.03 0.00 0.10 0.00 0.00 66.02 64.20 1r27 s SER 466 CO 0.00 -2.18 -0.05 -0.89 0.98 0.00 0.00 173.24 171.11 1r27 s THR 467 N -3.19 3.78 0.01 2.02 2.01 -1.26 -0.20 115.64 118.81 1r27 s THR 467 Ca 0.62 -0.76 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 1r27 s THR 467 Cb -0.15 -2.67 -0.01 0.00 0.01 0.00 0.00 72.50 69.69 1r27 s THR 467 CO 0.54 0.37 0.04 0.00 -0.69 0.00 0.00 174.62 174.88 1r27 s ALA 468 N -1.04 -0.06 -0.11 7.40 0.00 -0.07 -4.95 121.76 122.94 1r27 s ALA 468 Ca 0.18 -0.41 -0.05 0.00 0.00 0.00 0.00 51.96 51.68 1r27 s ALA 468 Cb -0.11 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.11 1r27 s ALA 468 CO 0.09 -0.18 0.09 -0.51 0.00 0.00 0.00 175.76 175.24 1r27 s LEU 469 N -1.45 4.07 0.10 0.00 1.43 -1.26 -0.49 118.68 121.08 1r27 s LEU 469 Ca -0.15 0.34 0.04 0.00 -1.03 0.00 0.00 54.13 53.32 1r27 s LEU 469 Cb -0.09 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 1r27 s LEU 469 CO -0.00 0.40 -0.10 0.68 0.23 0.00 0.00 176.35 177.56 1r27 s VAL 470 N -0.96 0.94 0.09 -1.59 -7.23 -0.69 -1.69 120.40 109.26 1r27 s VAL 470 Ca 0.14 -1.72 -0.12 0.00 -1.81 0.00 0.00 61.98 58.48 1r27 s VAL 470 Cb -0.12 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.39 1r27 s VAL 470 CO 0.03 -0.61 0.28 0.28 -0.31 0.00 0.00 175.10 174.77 1r27 s THR 471 N -2.67 0.11 0.48 5.32 -1.32 -0.89 -1.84 115.64 114.83 1r27 s THR 471 Ca 0.07 -0.88 -0.10 0.00 -1.21 0.00 0.00 61.69 59.57 1r27 s THR 471 Cb -0.01 -1.20 -0.05 0.00 -1.51 0.00 0.00 72.50 69.72 1r27 s THR 471 CO -0.00 -0.49 0.85 0.42 -2.21 0.00 0.00 174.62 173.19 1r27 s THR 472 N -3.59 4.78 0.43 5.08 -4.23 -1.26 0.46 115.64 117.32 1r27 s THR 472 Ca 0.02 0.62 0.11 0.00 -1.18 0.00 0.00 61.69 61.26 1r27 s THR 472 Cb 0.03 -3.80 0.29 0.00 1.34 0.00 0.00 72.50 70.36 1r27 s THR 472 CO -0.10 -0.76 2.04 0.58 -0.54 0.00 0.00 174.62 175.84 1r27 h VAL 473 N 0.53 1.02 0.11 2.29 2.07 -0.92 -2.52 116.25 118.84 1r27 h VAL 473 Ca -0.46 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1r27 h VAL 473 Cb 1.19 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1r27 h VAL 473 CO 0.62 0.08 -0.25 0.22 0.02 0.00 0.00 177.57 178.26 1r27 h TYR 474 N 0.43 -0.68 0.00 1.57 3.20 -1.19 -0.20 116.97 120.10 1r27 h TYR 474 Ca 0.17 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.96 1r27 h TYR 474 Cb 0.16 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 1r27 h TYR 474 CO -0.00 -0.36 -0.45 -0.44 -1.64 0.00 0.00 178.16 175.28 1r27 h ASP 475 N -0.46 0.00 -0.22 -2.11 5.19 -1.76 -1.82 116.42 115.24 1r27 h ASP 475 Ca 0.03 0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.37 1r27 h ASP 475 Cb 0.49 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1r27 h ASP 475 CO -0.15 0.45 -0.07 -0.07 -3.12 0.00 0.00 179.24 176.27 1r27 h LEU 476 N 0.00 0.55 0.01 1.55 3.38 -1.17 0.63 115.31 120.26 1r27 h LEU 476 Ca -0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1r27 h LEU 476 Cb 1.11 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1r27 h LEU 476 CO 0.06 0.67 -0.00 0.74 0.09 0.00 0.00 178.44 180.00 1r27 h THR 477 N 0.54 1.40 -0.64 0.22 2.02 -0.75 -0.15 112.91 115.55 1r27 h THR 477 Ca 0.10 -1.25 0.04 0.00 0.77 0.00 0.00 66.41 66.08 1r27 h THR 477 Cb 0.46 2.24 -0.04 0.00 -1.74 0.00 0.00 68.15 69.07 1r27 h THR 477 CO 0.02 0.32 0.42 -0.07 0.37 0.00 0.00 175.52 176.59 1r27 h LEU 478 N -0.55 0.62 0.10 2.58 4.07 -1.17 -1.55 115.31 119.41 1r27 h LEU 478 Ca -0.00 -0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 1r27 h LEU 478 Cb 0.54 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.14 1r27 h LEU 478 CO 0.00 0.42 -0.05 0.00 -1.08 0.00 0.00 178.44 177.73 1r27 h ALA 479 N 1.64 -0.14 -0.81 1.53 0.00 -0.80 -2.19 119.26 118.49 1r27 h ALA 479 Ca 0.26 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 55.17 1r27 h ALA 479 Cb 0.14 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1r27 h ALA 479 CO -0.08 -0.37 0.56 -0.97 0.00 0.00 0.00 179.25 178.39 1r27 h ASN 480 N -0.56 0.25 0.77 0.00 -1.24 -0.41 0.54 115.58 114.94 1r27 h ASN 480 Ca -0.01 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1r27 h ASN 480 Cb 0.45 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1r27 h ASN 480 CO 0.02 0.11 -0.04 -1.22 -1.29 0.00 0.00 177.43 175.01 1r27 n TYR 481 N -4.43 0.00 -2.42 0.67 4.02 -0.64 -4.88 117.16 109.48 1r27 n TYR 481 Ca 0.17 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 58.04 1r27 n TYR 481 Cb 0.71 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 1r27 n TYR 481 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1r27 n GLY 482 N 1.41 0.72 3.69 2.72 0.00 0.19 -4.56 105.19 109.35 1r27 n GLY 482 Ca 0.10 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.06 1r27 n GLY 482 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r27 s LEU 483 N -1.11 4.20 0.05 0.99 1.43 -0.84 -1.46 118.68 121.94 1r27 s LEU 483 Ca 0.03 0.65 -0.30 0.00 -1.03 0.00 0.00 54.13 53.47 1r27 s LEU 483 Cb -0.01 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.55 1r27 s LEU 483 CO 0.03 -0.06 1.07 -0.70 0.23 0.00 0.00 176.35 176.92 1r27 s GLU 484 N 1.11 4.53 -0.10 1.70 2.56 -1.26 -4.73 118.70 122.51 1r27 s GLU 484 Ca 0.22 1.59 0.15 0.00 0.00 0.00 0.00 54.97 56.93 1r27 s GLU 484 Cb -0.15 -3.39 0.23 0.00 2.00 0.00 0.00 34.13 32.82 1r27 s GLU 484 CO 0.09 -0.09 1.12 0.54 -0.56 0.00 0.00 175.26 176.36 1r27 n ARG 485 N 3.62 0.99 0.00 4.30 1.74 -1.26 -4.96 116.66 121.09 1r27 n ARG 485 Ca 0.06 -2.23 0.00 0.00 -0.77 0.00 0.00 57.85 54.91 1r27 n ARG 485 Cb 0.49 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.65 1r27 n ARG 485 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r27 n GLY 486 N -1.12 0.74 1.73 -0.13 0.00 -1.26 -5.09 105.19 100.06 1r27 n GLY 486 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.05 1r27 n GLY 486 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1r27 n LEU 487 N 0.00 0.00 -3.36 0.99 4.77 -1.26 -5.02 117.00 113.11 1r27 n LEU 487 Ca 0.00 -1.06 -0.33 0.00 -0.03 0.00 0.00 56.01 54.59 1r27 n LEU 487 Cb 0.00 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 40.85 1r27 n LEU 487 CO 0.00 -0.63 0.64 -3.20 -1.33 0.00 0.00 177.39 172.87 1r27 n ASN 488 N -2.78 5.45 -4.56 -1.43 5.15 -1.26 -5.00 115.26 110.83 1r27 n ASN 488 Ca 0.07 -3.61 -0.43 0.00 -0.60 0.00 0.00 54.58 50.01 1r27 n ASN 488 Cb 0.26 -0.85 -0.04 0.00 -0.53 0.00 0.00 39.78 38.63 1r27 n ASN 488 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1r27 s ASP 489 N -2.47 6.47 0.22 1.20 -1.08 -1.26 -4.89 116.67 114.85 1r27 s ASP 489 Ca 0.42 0.03 0.23 0.00 -0.52 0.00 0.00 52.55 52.71 1r27 s ASP 489 Cb 0.20 -2.46 0.93 0.00 -1.46 0.00 0.00 42.92 40.13 1r27 s ASP 489 CO -0.08 -1.13 1.69 1.33 0.52 0.00 0.00 175.17 177.50 1r27 n VAL 490 N 6.41 0.83 1.28 1.11 0.24 -1.26 -2.21 118.33 124.73 1r27 n VAL 490 Ca 0.06 0.20 0.13 0.00 -2.04 0.00 0.00 64.34 62.69 1r27 n VAL 490 Cb 0.48 -1.10 0.38 0.00 -1.47 0.00 0.00 33.84 32.13 1r27 n VAL 490 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1r27 n ASN 491 N -2.14 2.03 -4.95 -1.34 3.02 -1.26 -4.91 115.26 105.70 1r27 n ASN 491 Ca 0.02 -1.68 -0.23 0.00 -0.03 0.00 0.00 54.58 52.67 1r27 n ASN 491 Cb 0.23 -0.02 -0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1r27 n ASN 491 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r27 s ALA 493 N -2.38 3.45 -0.98 0.00 0.00 -0.54 -4.92 121.76 116.39 1r27 s ALA 493 Ca 0.44 0.20 0.23 0.00 0.00 0.00 0.00 51.96 52.83 1r27 s ALA 493 Cb -0.10 -2.87 0.08 0.00 0.00 0.00 0.00 23.12 20.23 1r27 s ALA 493 CO 0.36 0.19 1.11 0.25 0.00 0.00 0.00 175.76 177.67 1r27 n THR 494 N 2.37 0.01 -3.64 0.00 -2.24 -1.26 -4.24 114.28 105.27 1r27 n THR 494 Ca -0.05 -0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 1r27 n THR 494 Cb 0.50 0.66 -0.01 0.00 -2.10 0.00 0.00 70.33 69.38 1r27 n THR 494 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1r27 s SER 495 N -3.04 -0.21 0.53 3.42 0.15 -1.26 -4.98 113.70 108.31 1r27 s SER 495 Ca 0.09 -0.19 0.32 0.00 0.70 0.00 0.00 55.95 56.87 1r27 s SER 495 Cb 0.17 0.36 1.27 0.00 -1.71 0.00 0.00 66.02 66.11 1r27 s SER 495 CO 0.80 -0.64 1.94 1.88 1.20 0.00 0.00 173.24 178.42 1r27 h TYR 496 N 2.00 0.00 0.00 3.44 0.05 -2.00 -2.24 116.97 118.22 1r27 h TYR 496 Ca -0.23 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.55 1r27 h TYR 496 Cb 1.22 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.96 1r27 h TYR 496 CO 0.32 0.00 -0.08 -0.44 -1.05 0.00 0.00 178.16 176.91 1r27 h ASP 497 N 0.00 0.00 -2.82 3.88 3.32 -1.98 -2.33 116.42 116.49 1r27 h ASP 497 Ca 0.00 -0.01 -0.55 0.00 0.02 0.00 0.00 57.03 56.49 1r27 h ASP 497 Cb 0.54 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1r27 h ASP 497 CO 0.00 0.01 0.92 -0.62 -1.72 0.00 0.00 179.24 177.83 1r27 s ASP 498 N -5.26 6.82 -1.09 6.45 2.15 -0.85 -4.79 116.67 120.10 1r27 s ASP 498 Ca 0.08 2.05 -0.22 0.00 0.43 0.00 0.00 52.55 54.89 1r27 s ASP 498 Cb 0.09 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.18 1r27 s ASP 498 CO 0.64 -0.79 1.70 -0.69 -0.17 0.00 0.00 175.17 175.86 1r27 s VAL 499 N 3.14 3.81 0.27 1.11 1.01 -1.26 -4.59 120.40 123.89 1r27 s VAL 499 Ca 0.64 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.69 1r27 s VAL 499 Cb -0.30 -4.79 -0.06 0.00 0.00 0.00 0.00 36.38 31.23 1r27 s VAL 499 CO 0.24 -1.61 -0.02 -0.54 0.00 0.00 0.00 175.10 173.17 1r27 s LYS 500 N 5.45 1.48 -0.58 2.72 3.01 -1.26 -4.97 119.74 125.59 1r27 s LYS 500 Ca 0.56 -1.76 -0.31 0.00 -1.01 0.00 0.00 55.97 53.46 1r27 s LYS 500 Cb -0.01 -0.91 -0.13 0.00 -1.01 0.00 0.00 37.83 35.78 1r27 s LYS 500 CO -0.00 -0.04 2.41 0.00 0.51 0.00 0.00 175.35 178.23 1r27 n ALA 501 N -0.53 0.76 -2.33 5.17 0.00 -1.26 -2.69 120.51 119.63 1r27 n ALA 501 Ca -0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 53.44 52.94 1r27 n ALA 501 Cb 0.64 -2.71 0.01 0.00 0.00 0.00 0.00 19.45 17.39 1r27 n ALA 501 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1r27 n TYR 502 N 12.17 -0.25 -4.15 0.00 4.01 -1.26 -4.01 117.16 123.68 1r27 n TYR 502 Ca 0.47 0.10 -0.22 0.00 -0.16 0.00 0.00 57.90 58.08 1r27 n TYR 502 Cb 0.29 -1.96 -0.06 0.00 -0.31 0.00 0.00 39.34 37.30 1r27 n TYR 502 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1r27 s THR 503 N -3.03 3.76 0.23 -0.72 -4.23 -1.09 -4.15 115.64 106.39 1r27 s THR 503 Ca 0.02 -1.64 -0.07 0.00 -1.18 0.00 0.00 61.69 58.83 1r27 s THR 503 Cb -0.01 -3.10 0.18 0.00 1.34 0.00 0.00 72.50 70.91 1r27 s THR 503 CO 0.07 -0.32 1.77 -0.65 -0.54 0.00 0.00 174.62 174.95 1r27 h PRO 504 N 1.63 0.53 -0.81 3.99 0.11 -1.80 -0.36 132.00 135.30 1r27 h PRO 504 Ca -0.46 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.67 1r27 h PRO 504 Cb 1.25 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.19 1r27 h PRO 504 CO 0.61 0.35 0.53 0.00 -0.21 0.00 0.00 178.00 179.28 1r27 h ALA 505 N 1.45 1.55 -0.09 -0.75 0.00 -1.71 0.32 119.26 120.03 1r27 h ALA 505 Ca 0.36 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1r27 h ALA 505 Cb 0.41 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1r27 h ALA 505 CO -0.30 0.35 -0.03 2.35 0.00 0.00 0.00 179.25 181.63 1r27 h TRP 506 N 0.95 0.21 -0.26 0.00 7.01 -1.44 -3.06 115.95 119.35 1r27 h TRP 506 Ca 0.33 -0.05 -0.04 0.00 2.11 0.00 0.00 58.89 61.24 1r27 h TRP 506 Cb 0.11 -0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.11 1r27 h TRP 506 CO -0.00 0.52 -0.01 0.00 -2.79 0.00 0.00 178.44 176.16 1r27 h ALA 507 N 0.66 1.50 -0.91 2.65 0.00 -0.35 -2.44 119.26 120.37 1r27 h ALA 507 Ca 0.02 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1r27 h ALA 507 Cb 0.45 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1r27 h ALA 507 CO 0.01 0.36 0.59 1.49 0.00 0.00 0.00 179.25 181.70 1r27 h GLU 508 N 0.38 1.11 -0.32 0.00 4.81 -0.30 0.16 114.58 120.42 1r27 h GLU 508 Ca 0.09 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 1r27 h GLU 508 Cb 0.27 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1r27 h GLU 508 CO 0.01 0.73 -0.43 1.96 -0.73 0.00 0.00 179.01 180.55 1r27 h GLN 509 N 1.14 0.82 -0.07 1.92 4.20 -1.37 0.19 115.11 121.94 1r27 h GLN 509 Ca 0.36 -0.45 -0.09 0.00 0.06 0.00 0.00 58.65 58.53 1r27 h GLN 509 Cb 0.01 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1r27 h GLN 509 CO -0.12 1.08 -0.32 0.82 -0.67 0.00 0.00 178.83 179.62 1r27 h ILE 510 N 0.66 1.42 0.01 2.54 1.08 -1.15 -3.39 117.51 118.68 1r27 h ILE 510 Ca 0.04 -1.73 -0.32 0.00 -0.39 0.00 0.00 64.86 62.47 1r27 h ILE 510 Cb 1.01 2.33 -0.05 0.00 -3.07 0.00 0.00 36.82 37.03 1r27 h ILE 510 CO 0.10 0.50 -1.92 0.35 -0.69 0.00 0.00 178.15 176.48 1r27 n THR 511 N -4.42 1.56 -0.17 -0.27 -2.24 0.52 -4.56 114.28 104.69 1r27 n THR 511 Ca -0.08 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 1r27 n THR 511 Cb 0.50 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1r27 n THR 511 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r27 n GLY 512 N 1.65 0.72 3.72 3.38 0.00 0.05 -1.69 105.19 113.02 1r27 n GLY 512 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 1r27 n GLY 512 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r27 s VAL 513 N -2.46 5.02 0.14 1.61 1.01 -1.25 -4.98 120.40 119.49 1r27 s VAL 513 Ca 0.00 1.45 -0.34 0.00 0.00 0.00 0.00 61.98 63.09 1r27 s VAL 513 Cb 0.00 -4.04 -0.16 0.00 0.00 0.00 0.00 36.38 32.18 1r27 s VAL 513 CO 0.00 0.26 1.20 -0.24 0.00 0.00 0.00 175.10 176.32 1r27 n SER 514 N 3.68 1.34 -0.08 3.32 2.88 -1.26 -4.16 113.62 119.33 1r27 n SER 514 Ca -0.01 1.14 0.03 0.00 -1.33 0.00 0.00 58.87 58.70 1r27 n SER 514 Cb 0.51 -1.19 0.37 0.00 -0.75 0.00 0.00 64.21 63.15 1r27 n SER 514 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1r27 h ARG 515 N 3.66 0.68 0.00 -1.46 0.11 -1.94 -1.70 114.38 113.74 1r27 h ARG 515 Ca -0.45 -0.04 -0.09 0.00 0.10 0.00 0.00 59.98 59.50 1r27 h ARG 515 Cb 1.35 -0.15 -0.01 0.00 1.11 0.00 0.00 29.97 32.26 1r27 h ARG 515 CO 0.72 0.45 -0.42 0.66 0.10 0.00 0.00 179.97 181.48 1r27 h SER 516 N 0.70 0.00 -0.16 0.08 4.64 -1.94 -1.41 113.55 115.46 1r27 h SER 516 Ca 0.21 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.44 1r27 h SER 516 Cb -0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1r27 h SER 516 CO -0.05 0.42 -0.24 1.56 -0.87 0.00 0.00 176.83 177.66 1r27 h GLN 517 N 0.00 0.45 -0.46 4.77 1.08 -1.69 0.03 115.11 119.30 1r27 h GLN 517 Ca -0.00 -0.27 0.05 0.00 -1.45 0.00 0.00 58.65 56.98 1r27 h GLN 517 Cb 0.77 0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.18 1r27 h GLN 517 CO 0.05 0.85 0.21 0.82 -0.95 0.00 0.00 178.83 179.82 1r27 h ILE 518 N 0.09 0.92 -0.20 2.54 2.04 -1.20 -1.44 117.51 120.26 1r27 h ILE 518 Ca 0.02 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 1r27 h ILE 518 Cb 0.81 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1r27 h ILE 518 CO 0.06 0.08 -0.03 0.40 0.00 0.00 0.00 178.15 178.65 1r27 h ILE 519 N 0.42 1.28 -0.37 -0.67 2.04 -1.20 -2.19 117.51 116.81 1r27 h ILE 519 Ca 0.21 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1r27 h ILE 519 Cb 0.15 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 1r27 h ILE 519 CO -0.17 0.30 0.21 -0.09 0.00 0.00 0.00 178.15 178.40 1r27 h ARG 520 N 0.11 0.51 -0.31 2.37 2.43 -0.77 -2.21 114.38 116.51 1r27 h ARG 520 Ca 0.05 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1r27 h ARG 520 Cb 0.46 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1r27 h ARG 520 CO 0.02 0.40 -0.35 0.82 -1.51 0.00 0.00 179.97 179.35 1r27 h ILE 521 N 0.48 1.29 -0.77 1.20 1.08 -1.30 -1.54 117.51 117.94 1r27 h ILE 521 Ca 0.13 -1.49 -0.03 0.00 -0.39 0.00 0.00 64.86 63.07 1r27 h ILE 521 Cb 0.03 1.42 -0.03 0.00 -3.07 0.00 0.00 36.82 35.16 1r27 h ILE 521 CO -0.02 0.48 0.35 0.00 -0.69 0.00 0.00 178.15 178.27 1r27 h ALA 522 N 1.04 1.00 -0.07 1.87 0.00 -1.28 -0.73 119.26 121.09 1r27 h ALA 522 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1r27 h ALA 522 Cb 0.86 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1r27 h ALA 522 CO 0.07 0.58 -0.01 0.00 0.00 0.00 0.00 179.25 179.90 1r27 h ARG 523 N 1.10 0.12 -0.76 0.00 3.08 -1.18 -1.65 114.38 115.08 1r27 h ARG 523 Ca 0.26 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 1r27 h ARG 523 Cb 0.15 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 1r27 h ARG 523 CO -0.03 0.42 0.45 0.93 -1.07 0.00 0.00 179.97 180.66 1r27 h GLU 524 N -0.18 1.04 0.19 0.04 5.08 -1.18 0.37 114.58 119.94 1r27 h GLU 524 Ca 0.02 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1r27 h GLU 524 Cb 0.36 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1r27 h GLU 524 CO 0.00 0.75 -0.09 0.35 -1.00 0.00 0.00 179.01 179.03 1r27 h PHE 525 N 1.05 -0.23 -0.33 4.33 3.57 -1.09 0.67 116.94 124.90 1r27 h PHE 525 Ca 0.27 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.67 1r27 h PHE 525 Cb -0.01 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1r27 h PHE 525 CO -0.01 -0.13 -0.17 0.00 -2.23 0.00 0.00 178.31 175.78 1r27 h ALA 526 N 0.54 0.46 -0.98 2.41 0.00 -1.14 -1.81 119.26 118.74 1r27 h ALA 526 Ca -0.03 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1r27 h ALA 526 Cb 0.21 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 1r27 h ALA 526 CO 0.04 0.38 0.65 0.22 0.00 0.00 0.00 179.25 180.54 1r27 h ASP 527 N 0.46 1.13 -0.52 0.00 3.58 -0.16 0.15 116.42 121.05 1r27 h ASP 527 Ca 0.07 -0.03 -0.07 0.00 0.42 0.00 0.00 57.03 57.42 1r27 h ASP 527 Cb 0.70 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1r27 h ASP 527 CO 0.05 0.82 0.06 -1.13 -2.88 0.00 0.00 179.24 176.16 1r27 h ASN 528 N 1.33 0.86 -0.52 2.28 -0.73 -0.72 -1.66 115.58 116.41 1r27 h ASN 528 Ca 0.36 -0.28 -0.07 0.00 1.87 0.00 0.00 56.30 58.19 1r27 h ASN 528 Cb -0.15 -0.23 -0.02 0.00 0.27 0.00 0.00 38.32 38.19 1r27 h ASN 528 CO -0.08 0.92 0.08 0.00 -0.37 0.00 0.00 177.43 177.98 1r27 h ALA 529 N 0.97 1.07 -0.40 1.57 0.00 -0.45 -1.88 119.26 120.14 1r27 h ALA 529 Ca 0.16 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1r27 h ALA 529 Cb 0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1r27 h ALA 529 CO 0.02 0.60 -0.21 0.22 0.00 0.00 0.00 179.25 179.87 1r27 h ASP 530 N 0.86 0.89 0.88 0.00 3.58 -0.56 0.50 116.42 122.57 1r27 h ASP 530 Ca 0.18 -0.41 -0.06 0.00 0.42 0.00 0.00 57.03 57.15 1r27 h ASP 530 Cb 0.40 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 1r27 h ASP 530 CO 0.01 1.10 -0.31 0.11 -2.88 0.00 0.00 179.24 177.28 1r27 h LYS 531 N 0.67 0.00 -0.07 0.28 1.57 -1.11 -3.23 116.57 114.67 1r27 h LYS 531 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1r27 h LYS 531 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1r27 h LYS 531 CO 0.06 0.31 0.00 0.25 -0.57 0.00 0.00 179.45 179.50 1r27 n THR 532 N -3.48 0.21 -3.21 -0.16 -2.24 -0.72 -5.01 114.28 99.67 1r27 n THR 532 Ca -0.00 -0.61 -0.15 0.00 -2.27 0.00 0.00 64.05 61.03 1r27 n THR 532 Cb 0.47 1.05 0.07 0.00 -2.10 0.00 0.00 70.33 69.82 1r27 n THR 532 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1r27 n HIS 533 N 0.50 -2.33 -0.52 4.78 8.25 0.61 -4.18 115.22 122.34 1r27 n HIS 533 Ca 0.06 0.84 0.00 0.00 -0.26 0.00 0.00 57.72 58.36 1r27 n HIS 533 Cb 0.27 -4.22 0.00 0.00 1.12 0.00 0.00 29.99 27.17 1r27 n HIS 533 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1r27 n GLY 534 N -1.22 0.68 2.63 -1.41 0.00 0.14 -4.91 105.19 101.10 1r27 n GLY 534 Ca -0.10 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.04 1r27 n GLY 534 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 n ARG 535 N -2.52 2.65 -5.10 1.61 1.74 -1.26 -3.65 116.66 110.13 1r27 n ARG 535 Ca 0.00 -2.81 -0.32 0.00 -0.77 0.00 0.00 57.85 53.95 1r27 n ARG 535 Cb 0.00 -2.21 -0.16 0.00 -1.02 0.00 0.00 32.46 29.08 1r27 n ARG 535 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1r27 s SER 536 N -0.14 3.41 0.07 0.55 0.01 -1.22 -1.78 113.70 114.59 1r27 s SER 536 Ca 0.56 -0.44 0.05 0.00 1.31 0.00 0.00 55.95 57.43 1r27 s SER 536 Cb 0.39 -1.14 -0.03 0.00 0.21 0.00 0.00 66.02 65.46 1r27 s SER 536 CO -0.28 0.22 -0.13 -0.32 0.41 0.00 0.00 173.24 173.14 1r27 s MET 537 N -0.02 0.79 -0.17 12.44 0.00 0.46 -2.13 119.30 130.67 1r27 s MET 537 Ca -0.07 -0.92 0.00 0.00 0.00 0.00 0.00 55.69 54.71 1r27 s MET 537 Cb -0.15 -0.76 0.03 0.00 0.00 0.00 0.00 34.83 33.95 1r27 s MET 537 CO 0.05 0.17 -0.12 0.42 0.00 0.00 0.00 175.02 175.53 1r27 s ILE 538 N -1.27 1.58 -0.25 10.11 1.01 -0.86 -1.63 121.20 129.89 1r27 s ILE 538 Ca -0.03 -0.77 -0.15 0.00 0.00 0.00 0.00 60.65 59.70 1r27 s ILE 538 Cb -0.10 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1r27 s ILE 538 CO 0.02 0.34 0.39 -0.63 0.00 0.00 0.00 174.94 175.05 1r27 s ILE 539 N 1.46 5.18 0.07 2.92 1.01 -0.13 -1.12 121.20 130.58 1r27 s ILE 539 Ca 0.02 0.63 0.04 0.00 0.00 0.00 0.00 60.65 61.35 1r27 s ILE 539 Cb -0.14 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1r27 s ILE 539 CO -0.10 0.19 -0.12 0.54 0.00 0.00 0.00 174.94 175.45 1r27 s VAL 540 N 1.82 0.92 0.00 2.92 0.11 -0.65 -0.39 120.40 125.13 1r27 s VAL 540 Ca 0.17 -1.27 0.00 0.00 -2.93 0.00 0.00 61.98 57.95 1r27 s VAL 540 Cb -0.15 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.74 1r27 s VAL 540 CO 0.09 -0.30 0.00 0.61 -3.33 0.00 0.00 175.10 172.17 1r27 n GLY 541 N 1.26 5.01 0.31 6.54 0.00 -1.14 -2.13 105.19 115.04 1r27 n GLY 541 Ca -0.21 -1.19 0.21 0.00 0.00 0.00 0.00 46.02 44.83 1r27 n GLY 541 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r27 h ALA 542 N 1.14 1.00 -0.42 4.61 0.00 -1.78 -1.39 119.26 122.42 1r27 h ALA 542 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1r27 h ALA 542 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1r27 h ALA 542 CO 0.00 -0.00 0.28 0.78 0.00 0.00 0.00 179.25 180.31 1r27 h GLY 543 N 0.00 0.44 0.00 0.00 0.00 -1.76 -1.77 103.07 99.99 1r27 h GLY 543 Ca 0.00 -0.15 -0.27 0.00 0.00 0.00 0.00 47.33 46.91 1r27 h GLY 543 CO 0.00 0.12 -2.02 1.04 0.00 0.00 0.00 176.54 175.68 1r27 n LEU 544 N -4.48 0.53 0.01 3.11 4.32 -0.78 -4.60 117.00 115.13 1r27 n LEU 544 Ca 0.05 -0.02 0.13 0.00 -0.02 0.00 0.00 56.01 56.16 1r27 n LEU 544 Cb 0.22 0.18 0.57 0.00 -1.62 0.00 0.00 43.42 42.77 1r27 n LEU 544 CO 0.35 0.44 0.94 -3.20 -1.22 0.00 0.00 177.39 174.69 1r27 n ASN 545 N -2.63 0.10 -1.38 -1.43 5.15 -0.60 -3.56 115.26 110.91 1r27 n ASN 545 Ca -0.26 0.51 0.08 0.00 -0.60 0.00 0.00 54.58 54.31 1r27 n ASN 545 Cb 0.95 -0.54 0.30 0.00 -0.53 0.00 0.00 39.78 39.97 1r27 n ASN 545 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1r27 n HIS 546 N -1.59 1.25 -3.39 1.20 8.25 -0.68 -4.75 115.22 115.51 1r27 n HIS 546 Ca 0.07 -0.50 -0.29 0.00 -0.26 0.00 0.00 57.72 56.74 1r27 n HIS 546 Cb 0.34 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 1r27 n HIS 546 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1r27 s TRP 547 N -1.78 3.47 0.34 4.41 0.52 -1.23 -1.07 118.94 123.60 1r27 s TRP 547 Ca 0.43 0.62 0.06 0.00 0.02 0.00 0.00 56.10 57.23 1r27 s TRP 547 Cb 0.27 -2.08 0.73 0.00 -1.15 0.00 0.00 33.47 31.24 1r27 s TRP 547 CO 0.21 0.21 1.90 -0.92 0.02 0.00 0.00 176.95 178.36 1r27 h TYR 548 N 1.79 0.86 -1.59 -1.98 3.20 -1.92 -1.46 116.97 115.87 1r27 h TYR 548 Ca -0.48 0.02 -0.72 0.00 3.14 0.00 0.00 58.73 60.70 1r27 h TYR 548 Cb 1.19 -0.28 -0.29 0.00 1.54 0.00 0.00 36.73 38.89 1r27 h TYR 548 CO 0.58 0.38 0.84 0.72 -1.64 0.00 0.00 178.16 179.05 1r27 n HIS 549 N -4.53 3.09 0.20 -3.82 8.25 -1.26 -4.63 115.22 112.52 1r27 n HIS 549 Ca 0.15 -2.61 0.13 0.00 -0.26 0.00 0.00 57.72 55.13 1r27 n HIS 549 Cb 0.34 -1.20 0.73 0.00 1.12 0.00 0.00 29.99 30.99 1r27 n HIS 549 CO 0.00 0.00 0.00 1.37 0.64 0.00 0.00 176.34 178.35 1r27 h LEU 550 N 2.60 0.00 -0.56 2.41 -0.00 -1.50 -1.63 115.31 116.63 1r27 h LEU 550 Ca 0.56 0.00 0.05 0.00 -0.00 0.00 0.00 57.88 58.50 1r27 h LEU 550 Cb 0.39 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.00 1r27 h LEU 550 CO 1.44 0.00 0.28 0.44 -0.00 0.00 0.00 178.44 180.61 1r27 h ASP 551 N 0.00 0.40 0.30 0.17 3.32 -1.86 -1.25 116.42 117.51 1r27 h ASP 551 Ca 0.07 0.03 -0.25 0.00 0.02 0.00 0.00 57.03 56.91 1r27 h ASP 551 Cb 0.30 -0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.82 1r27 h ASP 551 CO -0.00 0.27 -1.04 0.24 -1.72 0.00 0.00 179.24 176.99 1r27 h MET 552 N 0.54 0.46 -0.18 3.56 2.86 -1.63 -1.59 114.93 118.94 1r27 h MET 552 Ca 0.25 -0.54 0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1r27 h MET 552 Cb 0.18 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1r27 h MET 552 CO -0.18 1.19 0.03 -0.91 1.06 0.00 0.00 176.91 178.10 1r27 h ASN 553 N 0.24 0.00 -0.09 1.22 2.35 -1.21 -1.74 115.58 116.35 1r27 h ASN 553 Ca -0.11 0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 1r27 h ASN 553 Cb 1.69 0.04 -0.00 0.00 0.05 0.00 0.00 38.32 40.10 1r27 h ASN 553 CO 0.18 0.03 -0.10 1.88 -1.65 0.00 0.00 177.43 177.77 1r27 h TYR 554 N 0.10 0.28 -0.07 1.19 -1.99 -1.27 -2.95 116.97 112.26 1r27 h TYR 554 Ca 0.08 -0.09 0.02 0.00 2.00 0.00 0.00 58.73 60.74 1r27 h TYR 554 Cb 0.08 -0.06 -0.00 0.00 2.00 0.00 0.00 36.73 38.74 1r27 h TYR 554 CO -0.14 0.66 0.09 0.00 -0.00 0.00 0.00 178.16 178.77 1r27 h ARG 555 N -0.18 0.00 -0.08 4.88 3.08 -1.25 0.24 114.38 121.06 1r27 h ARG 555 Ca 0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1r27 h ARG 555 Cb 0.62 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.67 1r27 h ARG 555 CO 0.02 0.00 -0.04 0.78 -1.07 0.00 0.00 179.97 179.66 1r27 h GLY 556 N 0.00 0.19 1.20 0.04 0.00 -1.15 -1.14 103.07 102.20 1r27 h GLY 556 Ca 0.03 -0.17 -0.16 0.00 0.00 0.00 0.00 47.33 47.03 1r27 h GLY 556 CO -0.00 0.15 -0.42 1.41 0.00 0.00 0.00 176.54 177.68 1r27 h LEU 557 N -0.20 0.93 -0.77 3.11 3.38 -0.99 -3.05 115.31 117.72 1r27 h LEU 557 Ca 0.02 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 1r27 h LEU 557 Cb 0.49 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1r27 h LEU 557 CO 0.01 1.22 0.47 0.40 0.09 0.00 0.00 178.44 180.63 1r27 h ILE 558 N 0.70 1.21 -0.85 1.22 2.04 -0.61 -2.36 117.51 118.86 1r27 h ILE 558 Ca 0.05 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1r27 h ILE 558 Cb 1.01 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 1r27 h ILE 558 CO 0.10 0.22 0.50 0.78 0.00 0.00 0.00 178.15 179.75 1r27 h ASN 559 N 1.05 1.03 -0.74 1.72 4.21 -1.16 -0.53 115.58 121.16 1r27 h ASN 559 Ca 0.28 -0.07 -0.00 0.00 1.21 0.00 0.00 56.30 57.71 1r27 h ASN 559 Cb -0.05 -0.26 -0.04 0.00 -1.12 0.00 0.00 38.32 36.86 1r27 h ASN 559 CO -0.05 0.80 0.46 0.24 -1.29 0.00 0.00 177.43 177.58 1r27 h MET 560 N 1.17 0.99 -0.18 0.81 2.86 -1.36 0.13 114.93 119.35 1r27 h MET 560 Ca 0.30 -0.08 -0.13 0.00 -2.06 0.00 0.00 59.70 57.73 1r27 h MET 560 Cb -0.03 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 1r27 h MET 560 CO -0.06 0.69 -0.44 -0.07 1.06 0.00 0.00 176.91 178.10 1r27 h LEU 561 N 1.01 0.47 -0.05 1.22 3.38 -1.01 -2.68 115.31 117.66 1r27 h LEU 561 Ca 0.27 -0.22 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 1r27 h LEU 561 Cb -0.06 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.58 1r27 h LEU 561 CO -0.05 0.85 -0.80 0.40 0.09 0.00 0.00 178.44 178.93 1r27 h ILE 562 N 0.36 1.33 0.00 1.22 2.04 -0.76 0.61 117.51 122.31 1r27 h ILE 562 Ca 0.03 -2.08 -0.01 0.00 1.00 0.00 0.00 64.86 63.80 1r27 h ILE 562 Cb 0.92 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 39.31 1r27 h ILE 562 CO 0.08 0.64 -0.04 -0.26 0.00 0.00 0.00 178.15 178.56 1r27 h PHE 563 N 0.27 0.00 -0.58 1.37 0.04 -0.71 -1.56 116.94 115.76 1r27 h PHE 563 Ca -0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.68 1r27 h PHE 563 Cb 1.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.61 1r27 h PHE 563 CO 0.11 0.04 0.00 0.00 -0.60 0.00 0.00 178.31 177.86 1r27 n GLY 565 N 1.32 -0.43 0.09 0.00 0.00 -0.59 -4.21 105.19 101.37 1r27 n GLY 565 Ca 0.20 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.33 1r27 n GLY 565 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r27 s VAL 567 N -2.67 3.72 0.00 0.00 1.01 -1.25 -2.66 120.40 118.54 1r27 s VAL 567 Ca -0.06 0.97 0.00 0.00 0.00 0.00 0.00 61.98 62.89 1r27 s VAL 567 Cb 0.08 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1r27 s VAL 567 CO 0.83 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.48 1r27 n GLY 568 N 3.87 0.77 3.30 4.51 0.00 -1.16 -4.92 105.19 111.55 1r27 n GLY 568 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 1r27 n GLY 568 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r27 s GLN 569 N -0.79 3.01 0.20 1.61 -1.52 -1.12 -4.24 119.66 116.80 1r27 s GLN 569 Ca 0.00 -0.80 -0.32 0.00 -1.95 0.00 0.00 55.36 52.28 1r27 s GLN 569 Cb 0.00 -2.39 -0.12 0.00 -0.22 0.00 0.00 33.01 30.28 1r27 s GLN 569 CO 0.00 0.27 1.69 0.45 -0.25 0.00 0.00 175.29 177.45 1r27 n SER 570 N 3.29 3.79 0.00 5.90 2.88 -1.26 -1.04 113.62 127.18 1r27 n SER 570 Ca -0.18 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 1r27 n SER 570 Cb 0.53 -1.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1r27 n SER 570 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r27 n GLY 571 N 3.82 0.69 3.22 0.46 0.00 -1.26 -4.73 105.19 107.39 1r27 n GLY 571 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 1r27 n GLY 571 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1r27 s GLY 572 N -1.37 1.39 0.00 -0.02 0.00 -0.20 -3.43 107.32 103.69 1r27 s GLY 572 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1r27 s GLY 572 CO 0.00 -1.45 0.00 0.61 0.00 0.00 0.00 173.10 172.26 1r27 n GLY 573 N -0.27 0.47 3.45 0.20 0.00 -0.91 -4.55 105.19 103.59 1r27 n GLY 573 Ca -0.01 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.29 1r27 n GLY 573 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1r27 s TRP 574 N -0.43 2.90 -1.04 1.61 -0.00 -1.26 -2.03 118.94 118.69 1r27 s TRP 574 Ca 0.00 -0.48 -0.06 0.00 -0.00 0.00 0.00 56.10 55.56 1r27 s TRP 574 Cb 0.00 -3.91 0.26 0.00 -0.00 0.00 0.00 33.47 29.82 1r27 s TRP 574 CO 0.00 -1.29 1.04 0.00 -0.00 0.00 0.00 176.95 176.70 1r27 n ALA 575 N 6.84 4.18 -2.61 5.86 0.00 -0.28 -4.50 120.51 130.00 1r27 n ALA 575 Ca -0.04 -4.66 -0.42 0.00 0.00 0.00 0.00 53.44 48.32 1r27 n ALA 575 Cb 0.45 -2.19 -0.05 0.00 0.00 0.00 0.00 19.45 17.66 1r27 n ALA 575 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1r27 s HIS 576 N -1.47 3.20 -0.05 0.00 5.04 -1.26 -1.64 115.29 119.11 1r27 s HIS 576 Ca 0.30 0.76 0.04 0.00 -1.54 0.00 0.00 55.06 54.62 1r27 s HIS 576 Cb -0.07 -3.20 0.00 0.00 0.04 0.00 0.00 32.58 29.35 1r27 s HIS 576 CO -0.08 -0.56 -0.17 0.71 -2.34 0.00 0.00 174.74 172.30 1r27 s TYR 577 N 2.92 1.71 0.00 3.88 2.02 -0.90 -4.87 117.35 122.11 1r27 s TYR 577 Ca 0.31 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.47 1r27 s TYR 577 Cb -0.14 -1.17 0.00 0.00 -0.40 0.00 0.00 41.96 40.25 1r27 s TYR 577 CO 0.13 -0.21 0.00 1.33 -1.57 0.00 0.00 175.55 175.23 1r27 n VAL 578 N 3.31 0.00 -2.40 0.71 0.24 -1.26 -4.42 118.33 114.51 1r27 n VAL 578 Ca -0.19 0.00 -0.25 0.00 -2.04 0.00 0.00 64.34 61.86 1r27 n VAL 578 Cb 0.53 0.00 0.13 0.00 -1.47 0.00 0.00 33.84 33.03 1r27 n VAL 578 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1r27 s GLY 579 N 0.00 1.77 -1.43 7.63 0.00 -1.26 -4.77 107.32 109.25 1r27 s GLY 579 Ca 0.00 -1.60 -0.09 0.00 0.00 0.00 0.00 44.72 43.03 1r27 s GLY 579 CO 0.00 -0.96 2.71 -0.18 0.00 0.00 0.00 173.10 174.67 1r27 n GLN 580 N -3.11 3.24 0.16 2.90 7.27 -1.26 -4.64 117.38 121.93 1r27 n GLN 580 Ca 0.15 -2.02 0.01 0.00 0.07 0.00 0.00 57.00 55.22 1r27 n GLN 580 Cb 0.60 -2.73 0.30 0.00 2.41 0.00 0.00 30.24 30.83 1r27 n GLN 580 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1r27 h GLU 581 N 5.40 0.06 -5.78 3.69 4.22 -1.94 -3.39 114.58 116.83 1r27 h GLU 581 Ca 0.77 -0.03 -0.60 0.00 0.08 0.00 0.00 59.36 59.58 1r27 h GLU 581 Cb 0.26 -0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.39 1r27 h GLU 581 CO 1.71 0.46 0.80 0.21 -2.18 0.00 0.00 179.01 180.00 1r27 s LYS 582 N -4.13 3.19 -0.59 1.92 2.20 -1.26 -4.87 119.74 116.21 1r27 s LYS 582 Ca -0.03 -0.69 -0.19 0.00 -0.36 0.00 0.00 55.97 54.70 1r27 s LYS 582 Cb 0.14 -4.31 0.10 0.00 -1.51 0.00 0.00 37.83 32.24 1r27 s LYS 582 CO 0.74 -1.96 0.71 -1.17 -0.36 0.00 0.00 175.35 173.32 1r27 s LEU 583 N 4.64 5.28 0.11 5.43 0.20 -1.26 -3.80 118.68 129.28 1r27 s LEU 583 Ca 0.29 -1.35 -0.24 0.00 0.69 0.00 0.00 54.13 53.51 1r27 s LEU 583 Cb -0.12 -2.33 -0.09 0.00 -0.43 0.00 0.00 46.19 43.23 1r27 s LEU 583 CO 0.10 -1.11 1.68 0.03 -0.29 0.00 0.00 176.35 176.75 1r27 h ARG 584 N 9.19 -0.25 -2.21 1.98 3.08 -1.91 -3.03 114.38 121.23 1r27 h ARG 584 Ca -0.29 0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.57 1r27 h ARG 584 Cb 1.09 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 31.14 1r27 h ARG 584 CO 1.09 -0.17 0.08 -0.35 -1.07 0.00 0.00 179.97 179.55 1r27 n PRO 585 N -5.27 1.91 -0.12 0.04 -0.04 -1.26 -4.71 135.00 125.54 1r27 n PRO 585 Ca -0.06 -0.99 -0.11 0.00 -0.04 0.00 0.00 63.50 62.30 1r27 n PRO 585 Cb 0.19 -2.01 -0.06 0.00 -0.04 0.00 0.00 33.50 31.58 1r27 n PRO 585 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1r27 h GLN 586 N 3.55 -0.35 0.00 0.54 4.15 -1.94 -1.91 115.11 119.15 1r27 h GLN 586 Ca 0.23 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.67 1r27 h GLN 586 Cb 1.24 0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.01 1r27 h GLN 586 CO 0.40 -0.23 0.00 0.25 -1.93 0.00 0.00 178.83 177.32 1r27 n THR 587 N -5.41 0.95 -0.02 2.39 -2.24 -1.26 -1.13 114.28 107.55 1r27 n THR 587 Ca -0.02 0.24 -0.12 0.00 -2.27 0.00 0.00 64.05 61.88 1r27 n THR 587 Cb 0.35 -1.01 -0.14 0.00 -2.10 0.00 0.00 70.33 67.43 1r27 n THR 587 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r27 n GLY 588 N -0.13 -0.88 0.11 3.38 0.00 -0.77 -4.36 105.19 102.54 1r27 n GLY 588 Ca 0.04 -0.12 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 1r27 n GLY 588 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1r27 h TRP 589 N 0.02 0.47 -0.21 1.61 7.01 -0.89 -3.39 115.95 120.57 1r27 h TRP 589 Ca -0.35 -0.34 0.06 0.00 2.11 0.00 0.00 58.89 60.37 1r27 h TRP 589 Cb 2.04 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 29.01 1r27 h TRP 589 CO 0.02 1.39 -0.22 1.96 -2.79 0.00 0.00 178.44 178.80 1r27 h GLN 590 N 0.07 -0.23 -0.22 2.65 4.20 -1.33 -0.84 115.11 119.42 1r27 h GLN 590 Ca -0.25 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1r27 h GLN 590 Cb 2.02 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 29.84 1r27 h GLN 590 CO 0.16 -0.16 0.12 -1.00 -0.67 0.00 0.00 178.83 177.28 1r27 h PRO 591 N -0.24 0.29 0.20 1.46 0.13 -1.77 -1.57 132.00 130.50 1r27 h PRO 591 Ca 0.13 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.22 1r27 h PRO 591 Cb 0.43 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.50 1r27 h PRO 591 CO -0.35 0.22 -0.10 1.25 -0.23 0.00 0.00 178.00 178.80 1r27 h LEU 592 N 0.30 -0.23 -0.70 1.56 5.85 -1.58 -1.07 115.31 119.44 1r27 h LEU 592 Ca 0.08 -0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.52 1r27 h LEU 592 Cb 0.02 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1r27 h LEU 592 CO -0.01 0.23 0.45 0.00 -0.34 0.00 0.00 178.44 178.77 1r27 h ALA 593 N -0.14 0.90 -0.36 1.25 0.00 -0.98 -3.12 119.26 116.82 1r27 h ALA 593 Ca -0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1r27 h ALA 593 Cb 0.51 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1r27 h ALA 593 CO 0.05 0.27 0.00 1.19 0.00 0.00 0.00 179.25 180.75 1r27 n PHE 594 N -4.63 1.30 -3.11 0.00 3.72 -0.61 -0.87 117.46 113.26 1r27 n PHE 594 Ca 0.07 -0.84 -0.21 0.00 -0.05 0.00 0.00 57.45 56.43 1r27 n PHE 594 Cb 0.05 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 1r27 n PHE 594 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r27 n ALA 595 N -0.17 -0.99 0.89 4.37 0.00 -0.78 -4.74 120.51 119.10 1r27 n ALA 595 Ca 0.23 0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.87 1r27 n ALA 595 Cb 0.99 -2.67 0.43 0.00 0.00 0.00 0.00 19.45 18.21 1r27 n ALA 595 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1r27 n LEU 596 N -3.57 0.00 0.07 0.00 4.77 -0.48 -1.26 117.00 116.54 1r27 n LEU 596 Ca -0.06 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.14 1r27 n LEU 596 Cb 0.57 -0.09 0.23 0.00 -2.33 0.00 0.00 43.42 41.80 1r27 n LEU 596 CO 0.43 -0.05 0.49 -0.90 -1.33 0.00 0.00 177.39 176.03 1r27 n ASP 597 N -1.09 0.74 -0.01 -1.43 5.75 -1.24 -4.35 116.55 114.91 1r27 n ASP 597 Ca 0.10 0.25 -0.02 0.00 -0.01 0.00 0.00 54.79 55.11 1r27 n ASP 597 Cb 0.07 -0.10 -0.01 0.00 -1.03 0.00 0.00 41.12 40.05 1r27 n ASP 597 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1r27 n TRP 598 N -2.17 0.00 -3.82 2.11 7.02 -0.39 -1.38 117.44 118.81 1r27 n TRP 598 Ca 0.04 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.40 1r27 n TRP 598 Cb 0.44 -0.11 -0.11 0.00 -2.42 0.00 0.00 31.31 29.11 1r27 n TRP 598 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1r27 s GLN 599 N -2.06 0.38 -0.02 -0.99 -0.21 -0.54 -4.87 119.66 111.35 1r27 s GLN 599 Ca -0.03 -0.00 -0.01 0.00 0.02 0.00 0.00 55.36 55.33 1r27 s GLN 599 Cb 0.01 0.17 0.02 0.00 1.00 0.00 0.00 33.01 34.21 1r27 s GLN 599 CO 0.07 -0.08 0.05 1.03 -2.12 0.00 0.00 175.29 174.25 1r27 s ARG 600 N -0.57 0.03 0.71 2.91 0.52 -1.26 -3.92 118.95 117.36 1r27 s ARG 600 Ca -0.07 0.15 0.01 0.00 -0.52 0.00 0.00 55.73 55.31 1r27 s ARG 600 Cb -0.04 -0.10 0.14 0.00 0.52 0.00 0.00 34.95 35.47 1r27 s ARG 600 CO 0.01 -0.08 0.97 -0.35 0.02 0.00 0.00 175.30 175.87 1r27 n PRO 601 N 3.60 -0.00 -1.06 3.54 -0.04 -1.26 -4.86 135.00 134.91 1r27 n PRO 601 Ca -0.19 -2.80 -0.01 0.00 -0.04 0.00 0.00 63.50 60.45 1r27 n PRO 601 Cb 0.55 -0.60 0.01 0.00 -0.04 0.00 0.00 33.50 33.42 1r27 n PRO 601 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r27 n ALA 602 N -2.81 0.07 -3.85 0.55 0.00 -1.26 -5.04 120.51 108.17 1r27 n ALA 602 Ca -0.16 -0.14 -0.32 0.00 0.00 0.00 0.00 53.44 52.82 1r27 n ALA 602 Cb 0.60 0.04 -0.12 0.00 0.00 0.00 0.00 19.45 19.97 1r27 n ALA 602 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1r27 s ARG 603 N -2.26 2.38 0.36 0.00 0.52 -1.26 -5.02 118.95 113.66 1r27 s ARG 603 Ca 0.04 -2.84 -0.11 0.00 -0.52 0.00 0.00 55.73 52.30 1r27 s ARG 603 Cb -0.00 -3.51 -0.07 0.00 0.52 0.00 0.00 34.95 31.88 1r27 s ARG 603 CO 0.03 -1.18 0.73 -1.01 0.02 0.00 0.00 175.30 173.88 1r27 s HIS 604 N -0.63 3.43 -0.09 -0.53 3.76 -1.26 -1.22 115.29 118.76 1r27 s HIS 604 Ca 0.20 1.06 -0.09 0.00 -0.15 0.00 0.00 55.06 56.08 1r27 s HIS 604 Cb -0.18 -2.44 0.02 0.00 1.11 0.00 0.00 32.58 31.10 1r27 s HIS 604 CO -0.06 0.00 0.24 1.41 -0.85 0.00 0.00 174.74 175.49 1r27 s MET 605 N -3.47 0.29 -0.40 1.40 0.00 -0.79 -4.69 119.30 111.64 1r27 s MET 605 Ca 0.51 0.33 -0.25 0.00 0.00 0.00 0.00 55.69 56.29 1r27 s MET 605 Cb -0.10 0.14 0.02 0.00 0.00 0.00 0.00 34.83 34.88 1r27 s MET 605 CO 0.26 -0.04 0.89 0.54 0.00 0.00 0.00 175.02 176.67 1r27 s ASN 606 N 0.11 6.59 0.40 1.11 4.22 -1.26 -1.28 114.94 124.82 1r27 s ASN 606 Ca -0.00 0.37 0.12 0.00 -2.14 0.00 0.00 52.86 51.21 1r27 s ASN 606 Cb -0.02 -2.44 0.93 0.00 1.28 0.00 0.00 41.25 41.00 1r27 s ASN 606 CO 0.00 -0.89 1.93 0.28 -2.04 0.00 0.00 177.10 176.38 1r27 h SER 607 N 8.67 0.51 -0.54 3.54 0.02 -1.92 -2.78 113.55 121.05 1r27 h SER 607 Ca -0.24 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1r27 h SER 607 Cb 1.08 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.51 1r27 h SER 607 CO 0.98 0.28 0.30 0.74 -1.14 0.00 0.00 176.83 177.99 1r27 h THR 608 N 0.55 1.18 -0.48 -2.27 2.02 -1.91 -0.36 112.91 111.64 1r27 h THR 608 Ca 0.36 -0.44 -0.13 0.00 0.77 0.00 0.00 66.41 66.96 1r27 h THR 608 Cb 0.63 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1r27 h THR 608 CO -0.13 0.19 -0.23 0.28 0.37 0.00 0.00 175.52 176.01 1r27 h SER 609 N 0.72 1.02 -0.15 4.18 0.02 -1.80 -0.97 113.55 116.57 1r27 h SER 609 Ca 0.19 -0.39 0.03 0.00 -0.84 0.00 0.00 61.79 60.78 1r27 h SER 609 Cb 0.03 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 1r27 h SER 609 CO -0.03 1.20 -0.06 0.22 -1.14 0.00 0.00 176.83 177.01 1r27 h TYR 610 N 0.86 -0.14 0.00 3.45 3.20 -1.19 -1.83 116.97 121.32 1r27 h TYR 610 Ca 0.11 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.81 1r27 h TYR 610 Cb 0.81 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 1r27 h TYR 610 CO 0.05 -0.10 -0.84 0.74 -1.64 0.00 0.00 178.16 176.37 1r27 h PHE 611 N -0.04 0.06 -0.91 -3.82 0.04 -1.03 -0.86 116.94 110.39 1r27 h PHE 611 Ca 0.08 -0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1r27 h PHE 611 Cb 0.16 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.26 1r27 h PHE 611 CO -0.20 0.86 0.58 -0.92 -0.60 0.00 0.00 178.31 178.03 1r27 h TYR 612 N 0.02 1.16 0.08 -0.55 3.20 -0.99 -1.70 116.97 118.19 1r27 h TYR 612 Ca -0.02 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1r27 h TYR 612 Cb 1.48 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.37 1r27 h TYR 612 CO 0.01 0.75 -0.04 -0.97 -1.64 0.00 0.00 178.16 176.27 1r27 h ASN 613 N 1.24 -0.09 0.67 -2.11 -1.24 -1.23 -2.26 115.58 110.56 1r27 h ASN 613 Ca 0.33 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.30 1r27 h ASN 613 Cb -0.11 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 38.96 1r27 h ASN 613 CO -0.07 0.05 -0.19 0.45 -1.29 0.00 0.00 177.43 176.38 1r27 h HIS 614 N -0.32 0.00 -0.31 0.67 3.86 -1.23 -1.70 115.15 116.13 1r27 h HIS 614 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1r27 h HIS 614 Cb 0.08 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1r27 h HIS 614 CO 0.04 0.19 0.00 -1.13 0.86 0.00 0.00 177.93 177.89 1r27 n SER 615 N -3.51 2.34 -3.31 2.45 3.41 -0.64 -4.54 113.62 109.83 1r27 n SER 615 Ca -0.01 -1.86 -0.24 0.00 -0.26 0.00 0.00 58.87 56.50 1r27 n SER 615 Cb 0.35 -0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.12 1r27 n SER 615 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1r27 n SER 616 N 0.77 -4.66 0.01 4.04 7.64 -0.64 -4.55 113.62 116.23 1r27 n SER 616 Ca 0.17 -0.40 0.11 0.00 1.01 0.00 0.00 58.87 59.76 1r27 n SER 616 Cb 0.42 -3.80 0.46 0.00 -1.01 0.00 0.00 64.21 60.28 1r27 n SER 616 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r27 n GLN 617 N -3.95 0.02 0.16 1.43 6.02 -0.86 -2.42 117.38 117.78 1r27 n GLN 617 Ca -0.04 0.14 0.03 0.00 -0.01 0.00 0.00 57.00 57.12 1r27 n GLN 617 Cb 0.57 -1.53 0.23 0.00 1.02 0.00 0.00 30.24 30.52 1r27 n GLN 617 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1r27 h TRP 618 N 0.00 0.00 0.00 1.08 5.08 -1.85 -2.86 115.95 117.40 1r27 h TRP 618 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1r27 h TRP 618 Cb 0.39 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.55 1r27 h TRP 618 CO 0.00 0.49 0.00 0.54 -1.28 0.00 0.00 178.44 178.19 1r27 n ARG 619 N -3.57 0.02 -0.03 0.12 1.74 -1.02 -1.90 116.66 112.02 1r27 n ARG 619 Ca -0.00 0.29 0.04 0.00 -0.77 0.00 0.00 57.85 57.41 1r27 n ARG 619 Cb 0.59 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.58 1r27 n ARG 619 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1r27 n TYR 620 N -1.47 0.00 -1.80 -1.55 4.01 -1.08 -0.33 117.16 114.94 1r27 n TYR 620 Ca 0.03 -0.70 -0.41 0.00 -0.16 0.00 0.00 57.90 56.66 1r27 n TYR 620 Cb 0.12 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.05 1r27 n TYR 620 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1r27 s GLU 621 N -1.76 4.13 -0.00 -0.72 2.56 -0.80 -4.90 118.70 117.21 1r27 s GLU 621 Ca 0.13 2.56 0.03 0.00 0.00 0.00 0.00 54.97 57.69 1r27 s GLU 621 Cb 0.12 -3.03 -0.03 0.00 2.00 0.00 0.00 34.13 33.18 1r27 s GLU 621 CO 0.01 -0.62 0.09 0.25 -0.56 0.00 0.00 175.26 174.43 1r27 n THR 622 N 2.19 0.00 -3.50 -1.70 -2.24 -1.26 -4.93 114.28 102.84 1r27 n THR 622 Ca 0.08 -0.26 -0.38 0.00 -2.27 0.00 0.00 64.05 61.22 1r27 n THR 622 Cb 0.38 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 1r27 n THR 622 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1r27 s VAL 623 N -1.68 5.16 0.05 2.28 1.01 -1.26 -5.00 120.40 120.96 1r27 s VAL 623 Ca 0.00 0.75 0.04 0.00 0.00 0.00 0.00 61.98 62.77 1r27 s VAL 623 Cb 0.02 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 1r27 s VAL 623 CO 0.11 0.49 -0.05 0.42 0.00 0.00 0.00 175.10 176.07 1r27 s THR 624 N -0.39 3.73 0.35 3.92 -4.23 -1.26 -4.73 115.64 113.03 1r27 s THR 624 Ca 0.22 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 59.83 1r27 s THR 624 Cb -0.15 -2.69 0.24 0.00 1.34 0.00 0.00 72.50 71.23 1r27 s THR 624 CO 0.10 0.26 1.98 0.00 -0.54 0.00 0.00 174.62 176.41 1r27 h ALA 625 N 4.02 1.51 -0.96 3.99 0.00 -1.91 -2.66 119.26 123.24 1r27 h ALA 625 Ca -0.48 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 54.47 1r27 h ALA 625 Cb 1.17 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.66 1r27 h ALA 625 CO 0.55 0.41 0.61 1.49 0.00 0.00 0.00 179.25 182.31 1r27 h GLU 626 N 0.75 0.85 0.00 0.00 4.81 -1.90 0.44 114.58 119.53 1r27 h GLU 626 Ca 0.19 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 1r27 h GLU 626 Cb 0.02 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1r27 h GLU 626 CO -0.03 0.56 0.00 -0.85 -0.73 0.00 0.00 179.01 177.96 1r27 n GLU 627 N -4.60 0.22 0.00 1.92 0.28 -1.00 -2.84 120.64 114.62 1r27 n GLU 627 Ca 0.18 0.07 0.11 0.00 -0.16 0.00 0.00 57.16 57.36 1r27 n GLU 627 Cb 0.40 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 31.67 1r27 n GLU 627 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1r27 n LEU 628 N -1.36 0.59 -4.75 -1.84 4.77 0.12 -4.99 117.00 109.54 1r27 n LEU 628 Ca 0.09 -0.23 -0.34 0.00 -0.03 0.00 0.00 56.01 55.51 1r27 n LEU 628 Cb 0.22 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.35 1r27 n LEU 628 CO 0.20 0.12 0.77 -0.76 -1.33 0.00 0.00 177.39 176.39 1r27 s LEU 629 N -3.69 3.39 0.40 2.23 1.43 -1.07 -4.60 118.68 116.78 1r27 s LEU 629 Ca 0.02 2.19 -0.24 0.00 -1.03 0.00 0.00 54.13 55.06 1r27 s LEU 629 Cb 0.15 -4.57 -0.09 0.00 0.03 0.00 0.00 46.19 41.71 1r27 s LEU 629 CO 0.87 -1.88 1.09 -0.55 0.23 0.00 0.00 176.35 176.11 1r27 s SER 630 N -2.24 6.64 0.62 2.29 0.15 0.68 -4.83 113.70 117.00 1r27 s SER 630 Ca 0.71 2.15 0.33 0.00 0.70 0.00 0.00 55.95 59.84 1r27 s SER 630 Cb -0.25 -2.60 1.89 0.00 -1.71 0.00 0.00 66.02 63.35 1r27 s SER 630 CO 0.42 -0.58 2.19 1.55 1.20 0.00 0.00 173.24 178.02 1r27 h PRO 631 N 2.51 0.00 -0.52 5.44 0.13 -1.89 -0.99 132.00 136.69 1r27 h PRO 631 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1r27 h PRO 631 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1r27 h PRO 631 CO 0.62 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.06 1r27 n MET 632 N -3.56 2.28 -3.44 0.86 2.81 -1.26 -4.92 117.12 109.89 1r27 n MET 632 Ca -0.01 -1.47 -0.29 0.00 -1.81 0.00 0.00 57.70 54.12 1r27 n MET 632 Cb 0.20 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.17 1r27 n MET 632 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1r27 s ALA 633 N -1.63 3.67 -0.97 3.04 0.00 -0.38 -5.02 121.76 120.48 1r27 s ALA 633 Ca 0.27 -0.59 -0.21 0.00 0.00 0.00 0.00 51.96 51.43 1r27 s ALA 633 Cb 0.16 -2.23 0.09 0.00 0.00 0.00 0.00 23.12 21.14 1r27 s ALA 633 CO 0.14 0.34 1.27 0.34 0.00 0.00 0.00 175.76 177.85 1r27 s ASP 634 N -3.04 6.56 0.33 0.00 2.15 -1.26 -4.89 116.67 116.53 1r27 s ASP 634 Ca 0.43 -1.76 0.10 0.00 0.43 0.00 0.00 52.55 51.75 1r27 s ASP 634 Cb -0.11 -2.48 1.00 0.00 -0.30 0.00 0.00 42.92 41.03 1r27 s ASP 634 CO 0.29 -1.27 1.58 0.11 -0.17 0.00 0.00 175.17 175.71 1r27 h LYS 635 N 9.28 0.03 0.00 4.34 1.57 -1.94 0.22 116.57 130.06 1r27 h LYS 635 Ca 0.17 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1r27 h LYS 635 Cb 1.02 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1r27 h LYS 635 CO 1.25 0.02 0.00 0.66 -0.57 0.00 0.00 179.45 180.81 1r27 h SER 636 N 0.03 0.00 0.21 0.86 4.64 -2.02 -0.68 113.55 116.59 1r27 h SER 636 Ca 0.70 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 1r27 h SER 636 Cb 1.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1r27 h SER 636 CO -0.84 0.00 -0.24 0.54 -0.87 0.00 0.00 176.83 175.43 1r27 n ARG 637 N -2.83 0.92 -2.79 4.77 5.12 0.77 -4.33 116.66 118.28 1r27 n ARG 637 Ca -0.02 -0.54 -0.20 0.00 -1.93 0.00 0.00 57.85 55.16 1r27 n ARG 637 Cb 0.08 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 29.89 1r27 n ARG 637 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1r27 n TYR 638 N -0.57 2.18 -3.88 -1.55 4.01 -0.26 -5.09 117.16 112.00 1r27 n TYR 638 Ca 0.13 -3.38 -0.24 0.00 -0.16 0.00 0.00 57.90 54.25 1r27 n TYR 638 Cb 0.35 -0.33 -0.02 0.00 -0.31 0.00 0.00 39.34 39.02 1r27 n TYR 638 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1r27 s THR 639 N -3.91 5.26 0.00 -0.72 -4.23 -1.25 -4.58 115.64 106.21 1r27 s THR 639 Ca 0.40 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 60.13 1r27 s THR 639 Cb 0.38 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.41 1r27 s THR 639 CO -0.09 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1r27 n GLY 640 N -1.09 2.05 3.80 3.99 0.00 -1.26 -4.96 105.19 107.72 1r27 n GLY 640 Ca -0.08 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.46 1r27 n GLY 640 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1r27 s HIS 641 N -1.82 2.97 0.41 1.61 5.65 -1.26 -4.59 115.29 118.26 1r27 s HIS 641 Ca 0.00 1.52 0.13 0.00 0.25 0.00 0.00 55.06 56.96 1r27 s HIS 641 Cb 0.00 -3.02 0.98 0.00 -1.18 0.00 0.00 32.58 29.35 1r27 s HIS 641 CO 0.00 -1.11 1.91 -0.07 -0.65 0.00 0.00 174.74 174.82 1r27 h LEU 642 N 0.55 0.47 -1.85 8.88 3.38 -1.97 0.23 115.31 125.00 1r27 h LEU 642 Ca -0.47 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1r27 h LEU 642 Cb 1.22 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1r27 h LEU 642 CO 0.57 0.25 -0.02 -0.29 0.09 0.00 0.00 178.44 179.04 1r27 h ILE 643 N 0.50 0.08 -0.22 1.22 2.10 -1.96 -2.31 117.51 116.92 1r27 h ILE 643 Ca 0.38 -0.43 -0.15 0.00 1.08 0.00 0.00 64.86 65.75 1r27 h ILE 643 Cb 0.78 1.39 -0.01 0.00 -1.09 0.00 0.00 36.82 37.89 1r27 h ILE 643 CO -0.14 0.02 -0.47 0.44 -1.08 0.00 0.00 178.15 176.92 1r27 h ASP 644 N 0.00 0.63 -0.56 2.19 3.32 -0.88 -1.56 116.42 119.56 1r27 h ASP 644 Ca -0.00 -0.31 -0.05 0.00 0.02 0.00 0.00 57.03 56.70 1r27 h ASP 644 Cb 0.39 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1r27 h ASP 644 CO 0.00 1.00 0.19 -0.26 -1.72 0.00 0.00 179.24 178.46 1r27 h PHE 645 N 0.46 0.93 -0.15 4.55 0.04 -1.40 -0.13 116.94 121.24 1r27 h PHE 645 Ca 0.03 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 1r27 h PHE 645 Cb 0.99 -0.28 -0.00 0.00 2.20 0.00 0.00 35.95 38.86 1r27 h PHE 645 CO 0.04 0.74 -0.02 -0.97 -0.60 0.00 0.00 178.31 177.50 1r27 h ASN 646 N 0.88 0.27 -0.93 2.17 -0.73 -1.42 0.04 115.58 115.87 1r27 h ASN 646 Ca 0.20 -0.35 0.02 0.00 1.87 0.00 0.00 56.30 58.04 1r27 h ASN 646 Cb 0.25 -0.07 -0.05 0.00 0.27 0.00 0.00 38.32 38.71 1r27 h ASN 646 CO -0.01 0.56 0.61 0.58 -0.37 0.00 0.00 177.43 178.80 1r27 h VAL 647 N -0.02 1.20 -0.42 2.57 2.07 -1.02 -0.24 116.25 120.39 1r27 h VAL 647 Ca 0.04 -0.42 -0.10 0.00 0.82 0.00 0.00 66.70 67.05 1r27 h VAL 647 Cb 0.44 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1r27 h VAL 647 CO 0.01 0.22 -0.11 0.03 0.02 0.00 0.00 177.57 177.75 1r27 h ARG 648 N 1.21 0.82 -0.81 1.57 3.08 -0.80 -2.08 114.38 117.37 1r27 h ARG 648 Ca 0.35 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1r27 h ARG 648 Cb -0.07 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1r27 h ARG 648 CO -0.09 0.94 0.45 0.00 -1.07 0.00 0.00 179.97 180.20 1r27 h ALA 649 N 0.85 1.04 -0.13 0.04 0.00 -0.33 -2.17 119.26 118.57 1r27 h ALA 649 Ca 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r27 h ALA 649 Cb 0.64 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1r27 h ALA 649 CO 0.04 0.55 0.07 0.93 0.00 0.00 0.00 179.25 180.84 1r27 h GLU 650 N 1.13 0.18 0.00 0.00 5.08 -0.84 0.92 114.58 121.04 1r27 h GLU 650 Ca 0.29 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1r27 h GLU 650 Cb 0.02 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 1r27 h GLU 650 CO -0.05 0.19 -0.12 0.00 -1.00 0.00 0.00 179.01 178.03 1r27 h ARG 651 N 0.12 0.00 -0.06 2.33 3.08 -1.20 -1.20 114.38 117.45 1r27 h ARG 651 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1r27 h ARG 651 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1r27 h ARG 651 CO -0.01 0.12 0.00 -1.33 -1.07 0.00 0.00 179.97 177.69 1r27 n MET 652 N -4.01 1.54 -1.08 0.04 2.81 -0.83 -4.13 117.12 111.45 1r27 n MET 652 Ca -0.02 -0.79 -0.03 0.00 -1.81 0.00 0.00 57.70 55.04 1r27 n MET 652 Cb 0.21 -1.44 -0.01 0.00 -0.71 0.00 0.00 33.22 31.26 1r27 n MET 652 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r27 n GLY 653 N 1.11 0.60 0.12 3.03 0.00 -0.45 -3.18 105.19 106.42 1r27 n GLY 653 Ca 0.18 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 45.14 1r27 n GLY 653 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1r27 h TRP 654 N 0.00 0.61 -2.75 1.61 4.06 -1.03 0.10 115.95 118.55 1r27 h TRP 654 Ca -0.06 -0.41 -0.48 0.00 2.06 0.00 0.00 58.89 60.00 1r27 h TRP 654 Cb 0.20 -0.04 -0.14 0.00 -1.00 0.00 0.00 29.16 28.18 1r27 h TRP 654 CO 0.09 1.30 -0.72 -0.51 -3.56 0.00 0.00 178.44 175.03 1r27 s LEU 655 N -7.96 2.54 0.81 -4.49 1.43 -1.22 -4.02 118.68 105.77 1r27 s LEU 655 Ca -0.13 -1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 51.79 1r27 s LEU 655 Cb 0.02 -0.71 0.08 0.00 0.03 0.00 0.00 46.19 45.61 1r27 s LEU 655 CO 0.84 -0.19 1.16 -2.16 0.23 0.00 0.00 176.35 176.24 1r27 s PRO 656 N -3.65 1.98 0.08 1.29 0.04 -1.26 -4.39 135.00 129.08 1r27 s PRO 656 Ca 0.25 0.18 0.05 0.00 0.04 0.00 0.00 61.00 61.52 1r27 s PRO 656 Cb -0.00 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 1r27 s PRO 656 CO 0.09 -1.60 -0.14 -1.12 0.04 0.00 0.00 177.00 174.27 1r27 s SER 657 N -4.49 1.72 -0.30 6.66 0.01 -1.26 -4.80 113.70 111.25 1r27 s SER 657 Ca 0.62 -0.64 -0.09 0.00 1.31 0.00 0.00 55.95 57.14 1r27 s SER 657 Cb -0.11 -0.05 0.17 0.00 0.21 0.00 0.00 66.02 66.24 1r27 s SER 657 CO 0.50 -0.09 0.84 0.00 0.41 0.00 0.00 173.24 174.91 1r27 s ALA 658 N -1.39 -2.72 0.84 1.44 0.00 -1.26 -4.05 121.76 114.62 1r27 s ALA 658 Ca -0.01 1.83 -0.12 0.00 0.00 0.00 0.00 51.96 53.66 1r27 s ALA 658 Cb -0.09 -2.20 0.10 0.00 0.00 0.00 0.00 23.12 20.93 1r27 s ALA 658 CO 0.02 -1.23 1.18 -2.14 0.00 0.00 0.00 175.76 173.59 1r27 s PRO 659 N 2.79 1.43 -0.10 0.00 0.02 -1.26 -4.90 135.00 132.99 1r27 s PRO 659 Ca 0.05 1.67 -0.02 0.00 0.02 0.00 0.00 61.00 62.72 1r27 s PRO 659 Cb -0.11 -1.76 -0.01 0.00 0.02 0.00 0.00 34.50 32.64 1r27 s PRO 659 CO -0.17 -2.35 -0.03 1.96 -0.33 0.00 0.00 177.00 176.08 1r27 h GLN 660 N -1.25 0.00 -6.28 5.54 4.20 -1.87 -3.41 115.11 112.04 1r27 h GLN 660 Ca -0.45 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 57.65 1r27 h GLN 660 Cb 1.28 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.97 1r27 h GLN 660 CO 0.45 0.00 -0.62 -0.51 -0.67 0.00 0.00 178.83 177.47 1r27 s LEU 661 N -7.99 3.58 0.00 1.46 1.43 -1.26 -1.60 118.68 114.29 1r27 s LEU 661 Ca -0.02 -0.19 0.09 0.00 -1.03 0.00 0.00 54.13 52.97 1r27 s LEU 661 Cb 0.00 -2.25 0.52 0.00 0.03 0.00 0.00 46.19 44.49 1r27 s LEU 661 CO 0.04 0.12 0.94 0.61 0.23 0.00 0.00 176.35 178.29 1r27 n GLY 662 N 0.10 -0.44 3.18 -3.19 0.00 0.27 -4.41 105.19 100.70 1r27 n GLY 662 Ca -0.09 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 1r27 n GLY 662 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1r27 s THR 663 N -2.00 0.91 -0.26 2.61 -1.32 -1.26 -4.94 115.64 109.38 1r27 s THR 663 Ca 0.13 -1.72 -0.28 0.00 -1.21 0.00 0.00 61.69 58.60 1r27 s THR 663 Cb 0.06 -1.45 -0.04 0.00 -1.51 0.00 0.00 72.50 69.56 1r27 s THR 663 CO 0.10 -0.63 2.06 0.21 -2.21 0.00 0.00 174.62 174.15 1r27 s ASN 664 N -2.61 5.63 0.20 8.08 3.04 -1.25 -4.84 114.94 123.18 1r27 s ASN 664 Ca 0.07 1.68 0.11 0.00 0.04 0.00 0.00 52.86 54.76 1r27 s ASN 664 Cb -0.01 -2.52 0.62 0.00 -1.54 0.00 0.00 41.25 37.80 1r27 s ASN 664 CO -0.01 -1.86 1.29 -0.81 -3.04 0.00 0.00 177.10 172.67 1r27 n PRO 665 N 8.62 0.07 0.00 0.43 -0.04 -1.26 -1.02 135.00 141.81 1r27 n PRO 665 Ca 0.27 0.54 0.13 0.00 -0.04 0.00 0.00 63.50 64.40 1r27 n PRO 665 Cb 0.46 -1.85 0.43 0.00 -0.04 0.00 0.00 33.50 32.49 1r27 n PRO 665 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1r27 n LEU 666 N -1.89 0.34 -0.33 1.53 4.77 -1.26 -2.50 117.00 117.65 1r27 n LEU 666 Ca -0.01 0.17 0.09 0.00 -0.03 0.00 0.00 56.01 56.23 1r27 n LEU 666 Cb 0.13 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1r27 n LEU 666 CO 0.05 0.08 0.22 0.35 -1.33 0.00 0.00 177.39 176.76 1r27 n THR 667 N -1.41 0.00 -0.17 -5.08 -2.24 -0.19 -4.55 114.28 100.65 1r27 n THR 667 Ca 0.07 -0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 61.47 1r27 n THR 667 Cb 0.33 1.17 0.01 0.00 -2.10 0.00 0.00 70.33 69.74 1r27 n THR 667 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1r27 h ILE 668 N 1.64 1.27 -0.92 2.28 2.04 -1.65 -3.20 117.51 118.97 1r27 h ILE 668 Ca 0.00 -1.35 -0.01 0.00 1.00 0.00 0.00 64.86 64.50 1r27 h ILE 668 Cb 0.57 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1r27 h ILE 668 CO 0.00 0.47 0.55 0.00 0.00 0.00 0.00 178.15 179.17 1r27 h ALA 669 N 0.89 1.24 0.00 1.87 0.00 -1.81 -1.59 119.26 119.87 1r27 h ALA 669 Ca 0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1r27 h ALA 669 Cb 0.77 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1r27 h ALA 669 CO 0.06 0.65 -0.24 0.78 0.00 0.00 0.00 179.25 180.50 1r27 h GLY 670 N 1.27 0.00 1.23 0.00 0.00 -1.84 -2.15 103.07 101.58 1r27 h GLY 670 Ca 0.33 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.32 1r27 h GLY 670 CO -0.06 0.00 -1.52 0.83 0.00 0.00 0.00 176.54 175.79 1r27 h GLU 671 N 0.00 0.51 -0.79 4.80 5.08 -1.46 -2.68 114.58 120.04 1r27 h GLU 671 Ca -0.00 -0.87 0.07 0.00 -1.00 0.00 0.00 59.36 57.55 1r27 h GLU 671 Cb 0.43 0.32 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 1r27 h GLU 671 CO 0.03 1.42 0.52 0.00 -1.00 0.00 0.00 179.01 179.98 1r27 h ALA 672 N 0.17 1.64 0.08 3.43 0.00 -1.09 -0.37 119.26 123.13 1r27 h ALA 672 Ca -0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1r27 h ALA 672 Cb 2.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1r27 h ALA 672 CO 0.26 0.24 -0.04 1.49 0.00 0.00 0.00 179.25 181.20 1r27 h GLU 673 N 0.85 -0.11 -0.28 0.00 4.81 -1.41 0.48 114.58 118.93 1r27 h GLU 673 Ca 0.34 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.66 1r27 h GLU 673 Cb 0.25 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1r27 h GLU 673 CO -0.12 0.26 0.23 0.87 -0.73 0.00 0.00 179.01 179.52 1r27 h LYS 674 N -0.49 0.00 -0.65 1.92 1.57 -1.03 0.23 116.57 118.12 1r27 h LYS 674 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1r27 h LYS 674 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1r27 h LYS 674 CO 0.02 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.90 1r27 n ALA 675 N -2.49 3.46 -3.60 3.86 0.00 -0.21 -4.93 120.51 116.59 1r27 n ALA 675 Ca 0.04 -1.48 -0.27 0.00 0.00 0.00 0.00 53.44 51.73 1r27 n ALA 675 Cb 0.38 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 1r27 n ALA 675 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r27 n GLY 676 N 0.64 -0.48 3.27 0.00 0.00 0.82 -4.96 105.19 104.47 1r27 n GLY 676 Ca 0.22 0.12 -0.16 0.00 0.00 0.00 0.00 46.02 46.20 1r27 n GLY 676 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1r27 s MET 677 N -6.27 1.11 0.40 1.61 -1.94 0.17 -5.01 119.30 109.36 1r27 s MET 677 Ca 0.51 -1.42 -0.18 0.00 -1.71 0.00 0.00 55.69 52.89 1r27 s MET 677 Cb -0.27 -0.81 -0.10 0.00 2.01 0.00 0.00 34.83 35.67 1r27 s MET 677 CO 0.63 0.13 0.88 0.54 -0.01 0.00 0.00 175.02 177.18 1r27 s ASN 678 N -3.00 6.82 0.31 3.03 2.20 -1.26 -3.59 114.94 119.46 1r27 s ASN 678 Ca 0.16 1.51 0.04 0.00 -0.94 0.00 0.00 52.86 53.63 1r27 s ASN 678 Cb -0.00 -2.47 0.81 0.00 -2.00 0.00 0.00 41.25 37.59 1r27 s ASN 678 CO 0.03 -0.34 1.59 -0.65 -2.94 0.00 0.00 177.10 174.79 1r27 h PRO 679 N 1.86 0.06 0.02 3.55 0.11 -1.89 -1.82 132.00 133.89 1r27 h PRO 679 Ca -0.48 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1r27 h PRO 679 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1r27 h PRO 679 CO 0.63 0.04 -0.01 0.28 -0.21 0.00 0.00 178.00 178.72 1r27 h VAL 680 N 0.06 1.26 -0.44 3.15 2.07 -1.92 -1.78 116.25 118.66 1r27 h VAL 680 Ca 0.61 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1r27 h VAL 680 Cb 1.32 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 1r27 h VAL 680 CO -0.82 0.23 0.10 0.44 0.02 0.00 0.00 177.57 177.53 1r27 h ASP 681 N -0.41 0.61 -0.56 0.57 3.32 -1.86 -0.54 116.42 117.54 1r27 h ASP 681 Ca -0.00 -0.10 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 1r27 h ASP 681 Cb 0.39 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 1r27 h ASP 681 CO 0.00 0.61 0.08 0.22 -1.72 0.00 0.00 179.24 178.43 1r27 h TYR 682 N 0.64 1.00 -0.37 4.55 3.20 -1.33 -0.69 116.97 123.97 1r27 h TYR 682 Ca 0.14 -0.14 -0.07 0.00 3.14 0.00 0.00 58.73 61.80 1r27 h TYR 682 Cb 0.25 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1r27 h TYR 682 CO 0.01 0.88 -0.05 1.15 -1.64 0.00 0.00 178.16 178.51 1r27 h THR 683 N 0.83 1.27 -0.56 1.81 2.02 -0.79 -0.84 112.91 116.65 1r27 h THR 683 Ca 0.17 -1.10 -0.05 0.00 0.77 0.00 0.00 66.41 66.20 1r27 h THR 683 Cb 0.43 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 1r27 h THR 683 CO 0.01 0.36 0.13 0.58 0.37 0.00 0.00 175.52 176.97 1r27 h VAL 684 N 0.48 1.23 -0.03 3.16 2.07 -1.00 -0.60 116.25 121.57 1r27 h VAL 684 Ca 0.10 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1r27 h VAL 684 Cb 0.55 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 1r27 h VAL 684 CO 0.03 0.31 -0.01 0.50 0.02 0.00 0.00 177.57 178.42 1r27 h LYS 685 N 0.83 0.06 -0.85 1.57 3.64 -0.99 -2.39 116.57 118.44 1r27 h LYS 685 Ca 0.18 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1r27 h LYS 685 Cb 0.31 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 1r27 h LYS 685 CO -0.00 0.42 0.56 0.77 -2.27 0.00 0.00 179.45 178.93 1r27 h SER 686 N -0.31 0.95 -0.45 4.20 0.02 -0.95 -1.37 113.55 115.64 1r27 h SER 686 Ca 0.01 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 1r27 h SER 686 Cb 0.40 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1r27 h SER 686 CO 0.00 0.68 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.17 1r27 h LEU 687 N 1.12 0.89 -0.54 5.07 3.38 -1.09 0.30 115.31 124.44 1r27 h LEU 687 Ca 0.32 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1r27 h LEU 687 Cb -0.08 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 1r27 h LEU 687 CO -0.08 1.06 0.28 0.11 0.09 0.00 0.00 178.44 179.89 1r27 h LYS 688 N 0.72 0.77 0.00 1.13 1.57 -0.88 -3.02 116.57 116.86 1r27 h LYS 688 Ca 0.11 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1r27 h LYS 688 Cb 0.68 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1r27 h LYS 688 CO 0.05 0.61 -0.47 1.05 -0.57 0.00 0.00 179.45 180.12 1r27 h GLU 689 N 0.72 0.00 0.00 3.15 4.11 -1.20 -3.48 114.58 117.89 1r27 h GLU 689 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1r27 h GLU 689 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1r27 h GLU 689 CO -0.03 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.46 1r27 n GLY 690 N 1.20 0.87 0.23 1.06 0.00 0.88 -4.95 105.19 104.49 1r27 n GLY 690 Ca 0.03 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.15 1r27 n GLY 690 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r27 h SER 691 N 0.00 0.00 -3.42 1.61 4.64 -1.40 -3.41 113.55 111.57 1r27 h SER 691 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1r27 h SER 691 Cb 0.00 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 61.75 1r27 h SER 691 CO 0.00 0.04 -0.81 -0.63 -0.87 0.00 0.00 176.83 174.57 1r27 s ILE 692 N -3.35 1.03 0.20 0.95 1.01 -1.09 -5.02 121.20 114.94 1r27 s ILE 692 Ca 0.05 -0.41 0.10 0.00 0.00 0.00 0.00 60.65 60.38 1r27 s ILE 692 Cb 0.07 -0.96 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 1r27 s ILE 692 CO 0.64 0.33 -0.19 -0.13 0.00 0.00 0.00 174.94 175.59 1r27 s ARG 693 N 0.74 1.42 0.16 2.79 0.52 -1.26 -4.00 118.95 119.32 1r27 s ARG 693 Ca -0.13 -1.55 -0.30 0.00 -0.52 0.00 0.00 55.73 53.22 1r27 s ARG 693 Cb -0.15 -1.48 -0.08 0.00 0.52 0.00 0.00 34.95 33.76 1r27 s ARG 693 CO 0.03 0.29 1.26 -0.06 0.02 0.00 0.00 175.30 176.84 1r27 s PHE 694 N -2.29 3.34 0.56 -0.53 0.08 -1.26 0.94 117.98 118.82 1r27 s PHE 694 Ca 0.21 1.27 0.25 0.00 0.12 0.00 0.00 56.93 58.78 1r27 s PHE 694 Cb -0.05 -3.52 1.54 0.00 -0.57 0.00 0.00 43.02 40.42 1r27 s PHE 694 CO 0.09 -1.62 2.12 0.00 -0.10 0.00 0.00 175.22 175.71 1r27 h ALA 695 N 5.75 1.94 0.00 5.36 0.00 -1.51 -2.44 119.26 128.37 1r27 h ALA 695 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1r27 h ALA 695 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1r27 h ALA 695 CO 0.78 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.78 1r27 h ALA 696 N 1.85 1.00 -0.01 0.00 0.00 -1.80 -2.29 119.26 118.01 1r27 h ALA 696 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1r27 h ALA 696 Cb 0.40 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1r27 h ALA 696 CO -0.00 0.00 -0.75 0.93 0.00 0.00 0.00 179.25 179.42 1r27 h GLU 697 N 0.00 0.10 -2.17 0.00 5.08 -1.69 -3.37 114.58 112.53 1r27 h GLU 697 Ca 0.00 -0.09 -0.58 0.00 -1.00 0.00 0.00 59.36 57.69 1r27 h GLU 697 Cb 0.18 0.02 -0.40 0.00 0.50 0.00 0.00 28.75 29.05 1r27 h GLU 697 CO 0.00 0.81 -0.92 1.04 -1.00 0.00 0.00 179.01 178.93 1r27 n GLN 698 N -3.70 1.18 0.22 2.33 6.02 -0.87 -1.81 117.38 120.75 1r27 n GLN 698 Ca -0.02 -3.67 0.07 0.00 -0.01 0.00 0.00 57.00 53.37 1r27 n GLN 698 Cb 0.72 -1.61 0.51 0.00 1.02 0.00 0.00 30.24 30.88 1r27 n GLN 698 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1r27 h PRO 699 N 4.36 0.00 -0.51 -1.09 0.13 -1.72 -3.14 132.00 130.02 1r27 h PRO 699 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1r27 h PRO 699 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1r27 h PRO 699 CO 0.56 0.24 0.00 0.39 -0.23 0.00 0.00 178.00 178.96 1r27 n GLU 700 N -3.98 3.32 0.00 0.86 1.02 -1.26 -4.31 120.64 116.29 1r27 n GLU 700 Ca -0.02 -2.66 0.09 0.00 -0.02 0.00 0.00 57.16 54.55 1r27 n GLU 700 Cb 0.32 -1.71 0.53 0.00 -0.02 0.00 0.00 31.44 30.56 1r27 n GLU 700 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1r27 n ASN 701 N 0.73 0.00 0.00 1.62 6.94 -1.19 -4.84 115.26 118.52 1r27 n ASN 701 Ca 0.21 -0.58 0.00 0.00 -0.02 0.00 0.00 54.58 54.20 1r27 n ASN 701 Cb 0.76 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.18 1r27 n ASN 701 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r27 n GLY 702 N 0.13 1.14 0.00 4.83 0.00 -1.26 -4.82 105.19 105.20 1r27 n GLY 702 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1r27 n GLY 702 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r27 n LYS 703 N -2.00 3.42 -1.09 1.61 5.02 -1.26 -4.83 118.16 119.03 1r27 n LYS 703 Ca 0.00 -0.07 -0.16 0.00 -2.02 0.00 0.00 58.31 56.06 1r27 n LYS 703 Cb 0.00 -0.44 0.17 0.00 -0.02 0.00 0.00 35.03 34.74 1r27 n LYS 703 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1r27 n ASN 704 N -0.51 3.56 -4.24 4.39 3.02 -1.26 -4.98 115.26 115.24 1r27 n ASN 704 Ca 0.00 -3.72 -0.18 0.00 -0.03 0.00 0.00 54.58 50.64 1r27 n ASN 704 Cb 0.02 -0.74 -0.11 0.00 -0.61 0.00 0.00 39.78 38.34 1r27 n ASN 704 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1r27 s HIS 705 N -3.34 1.42 0.40 3.10 -3.43 -1.26 -4.47 115.29 107.70 1r27 s HIS 705 Ca 0.52 -0.54 -0.27 0.00 -0.80 0.00 0.00 55.06 53.97 1r27 s HIS 705 Cb 0.45 -0.75 -0.09 0.00 -1.43 0.00 0.00 32.58 30.76 1r27 s HIS 705 CO 0.04 0.15 1.36 -1.25 -2.00 0.00 0.00 174.74 173.04 1r27 s PRO 706 N -2.58 4.00 -0.04 -0.38 0.04 -1.26 -4.87 135.00 129.91 1r27 s PRO 706 Ca 0.08 2.28 0.05 0.00 0.04 0.00 0.00 61.00 63.46 1r27 s PRO 706 Cb -0.05 -2.82 -0.07 0.00 0.04 0.00 0.00 34.50 31.60 1r27 s PRO 706 CO 0.03 -0.51 0.05 0.54 0.04 0.00 0.00 177.00 177.15 1r27 n ARG 707 N 0.22 2.25 -4.97 4.56 1.74 0.87 -4.15 116.66 117.19 1r27 n ARG 707 Ca 0.03 -0.02 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 1r27 n ARG 707 Cb 0.42 -1.13 -0.17 0.00 -1.02 0.00 0.00 32.46 30.57 1r27 n ARG 707 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1r27 s ASN 708 N -3.31 2.54 -0.06 0.55 0.02 -1.04 0.95 114.94 114.59 1r27 s ASN 708 Ca -0.02 -0.45 0.01 0.00 -1.02 0.00 0.00 52.86 51.38 1r27 s ASN 708 Cb 0.02 -1.09 0.02 0.00 0.02 0.00 0.00 41.25 40.22 1r27 s ASN 708 CO 0.21 0.12 -0.05 -0.22 0.02 0.00 0.00 177.10 177.18 1r27 s LEU 709 N 0.39 1.23 -0.17 0.60 2.96 -0.66 -0.74 118.68 122.30 1r27 s LEU 709 Ca -0.15 -0.17 -0.07 0.00 -0.22 0.00 0.00 54.13 53.51 1r27 s LEU 709 Cb -0.16 -0.56 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 1r27 s LEU 709 CO 0.06 -0.07 0.08 -0.36 -1.32 0.00 0.00 176.35 174.74 1r27 s PHE 710 N 1.16 3.33 -0.10 5.38 0.08 0.10 -1.50 117.98 126.44 1r27 s PHE 710 Ca -0.07 0.22 0.01 0.00 0.12 0.00 0.00 56.93 57.20 1r27 s PHE 710 Cb -0.14 -2.05 0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1r27 s PHE 710 CO -0.01 0.31 -0.10 0.42 -0.10 0.00 0.00 175.22 175.73 1r27 s ILE 711 N 0.04 1.12 -0.08 0.64 1.01 0.45 -0.05 121.20 124.33 1r27 s ILE 711 Ca 0.07 -0.39 -0.19 0.00 0.00 0.00 0.00 60.65 60.14 1r27 s ILE 711 Cb -0.12 -1.09 0.04 0.00 0.01 0.00 0.00 42.46 41.31 1r27 s ILE 711 CO 0.00 0.37 0.45 -1.66 0.00 0.00 0.00 174.94 174.10 1r27 s TRP 712 N 1.31 -0.40 -1.65 3.97 -2.14 -1.09 -1.50 118.94 117.43 1r27 s TRP 712 Ca -0.02 0.80 -0.00 0.00 2.66 0.00 0.00 56.10 59.54 1r27 s TRP 712 Cb -0.14 0.19 0.00 0.00 -3.10 0.00 0.00 33.47 30.43 1r27 s TRP 712 CO -0.04 -0.39 0.05 0.54 -2.66 0.00 0.00 176.95 174.46 1r27 n ARG 713 N 1.74 -1.85 -3.64 3.25 1.74 -1.26 -4.33 116.66 112.32 1r27 n ARG 713 Ca -0.18 0.94 -0.15 0.00 -0.77 0.00 0.00 57.85 57.68 1r27 n ARG 713 Cb 0.56 -5.54 -0.08 0.00 -1.02 0.00 0.00 32.46 26.39 1r27 n ARG 713 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1r27 s SER 714 N -2.18 -0.49 -0.37 0.55 0.15 -1.26 -4.33 113.70 105.78 1r27 s SER 714 Ca 0.03 0.62 0.08 0.00 0.70 0.00 0.00 55.95 57.38 1r27 s SER 714 Cb -0.01 0.62 0.44 0.00 -1.71 0.00 0.00 66.02 65.36 1r27 s SER 714 CO 0.03 -0.45 1.12 -3.20 1.20 0.00 0.00 173.24 171.94 1r27 n ASN 715 N 1.51 4.20 0.03 5.45 4.05 -1.26 -4.94 115.26 124.30 1r27 n ASN 715 Ca -0.18 -3.51 -0.06 0.00 0.45 0.00 0.00 54.58 51.28 1r27 n ASN 715 Cb 0.56 -0.43 -0.04 0.00 1.23 0.00 0.00 39.78 41.10 1r27 n ASN 715 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1r27 h LEU 716 N 2.51 -0.65 0.00 1.20 5.85 -1.96 -1.92 115.31 120.34 1r27 h LEU 716 Ca 0.25 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.04 1r27 h LEU 716 Cb 1.15 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.43 1r27 h LEU 716 CO 0.74 -0.21 0.00 0.18 -0.34 0.00 0.00 178.44 178.81 1r27 n LEU 717 N -3.66 0.00 -0.43 2.25 4.77 -1.26 -1.51 117.00 117.16 1r27 n LEU 717 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1r27 n LEU 717 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1r27 n LEU 717 CO 0.05 0.00 0.25 0.61 -1.33 0.00 0.00 177.39 176.97 1r27 n GLY 718 N -0.81 0.12 0.00 -0.72 0.00 -0.92 -4.67 105.19 98.18 1r27 n GLY 718 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1r27 n GLY 718 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r27 n SER 719 N 0.00 0.00 -0.03 1.61 7.64 -0.77 -4.43 113.62 117.65 1r27 n SER 719 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1r27 n SER 719 Cb 0.66 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.75 1r27 n SER 719 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1r27 h SER 720 N 0.00 0.01 -2.22 6.43 0.87 -1.49 -3.45 113.55 113.70 1r27 h SER 720 Ca 0.00 -0.60 -0.57 0.00 -1.23 0.00 0.00 61.79 59.39 1r27 h SER 720 Cb 0.00 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1r27 h SER 720 CO 0.00 0.60 1.37 -0.83 -0.53 0.00 0.00 176.83 177.44 1r27 s GLY 721 N -3.40 0.85 0.41 5.77 0.00 -0.57 -4.98 107.32 105.40 1r27 s GLY 721 Ca -0.17 0.85 -0.25 0.00 0.00 0.00 0.00 44.72 45.16 1r27 s GLY 721 CO 0.68 3.60 1.14 0.54 0.00 0.00 0.00 173.10 179.06 1r27 s LYS 722 N 5.64 4.03 -0.16 2.90 3.01 -1.26 -3.49 119.74 130.40 1r27 s LYS 722 Ca 0.93 1.76 -0.00 0.00 -1.01 0.00 0.00 55.97 57.64 1r27 s LYS 722 Cb -0.34 -2.61 0.00 0.00 -1.01 0.00 0.00 37.83 33.88 1r27 s LYS 722 CO 0.36 -0.32 0.14 0.41 0.51 0.00 0.00 175.35 176.45 1r27 n GLY 723 N 0.55 0.50 0.23 -3.33 0.00 -1.07 -4.68 105.19 97.39 1r27 n GLY 723 Ca 0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 46.02 45.59 1r27 n GLY 723 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1r27 h HIS 724 N -0.29 -0.27 -0.46 1.61 2.76 -1.17 -1.80 115.15 115.54 1r27 h HIS 724 Ca -0.08 0.05 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 1r27 h HIS 724 Cb 1.05 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 30.19 1r27 h HIS 724 CO 0.06 -0.24 0.11 0.93 -1.30 0.00 0.00 177.93 177.50 1r27 h GLU 725 N 0.02 0.68 -0.42 5.26 4.39 -1.82 -2.02 114.58 120.67 1r27 h GLU 725 Ca 0.28 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 1r27 h GLU 725 Cb 0.44 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1r27 h GLU 725 CO -0.58 0.62 -0.15 0.74 -1.16 0.00 0.00 179.01 178.48 1r27 h PHE 726 N 0.67 0.86 -0.41 4.33 -1.00 -1.65 -1.18 116.94 118.55 1r27 h PHE 726 Ca 0.15 -0.17 -0.09 0.00 2.81 0.00 0.00 57.97 60.67 1r27 h PHE 726 Cb 0.24 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.57 1r27 h PHE 726 CO 0.01 0.87 -0.12 0.52 -1.61 0.00 0.00 178.31 177.98 1r27 h MET 727 N 0.69 0.73 -0.25 1.51 2.86 -0.98 0.10 114.93 119.60 1r27 h MET 727 Ca 0.11 -0.24 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1r27 h MET 727 Cb 0.63 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1r27 h MET 727 CO 0.04 0.82 -0.05 -0.07 1.06 0.00 0.00 176.91 178.71 1r27 h LEU 728 N 0.66 0.49 0.39 1.22 3.38 -1.00 -1.45 115.31 119.00 1r27 h LEU 728 Ca 0.11 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1r27 h LEU 728 Cb 0.58 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1r27 h LEU 728 CO 0.04 0.73 -0.19 0.50 0.09 0.00 0.00 178.44 179.61 1r27 h LYS 729 N 0.24 -0.51 0.04 1.13 3.64 -0.98 0.24 116.57 120.37 1r27 h LYS 729 Ca 0.07 0.03 -0.29 0.00 -1.27 0.00 0.00 60.65 59.19 1r27 h LYS 729 Cb 0.52 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 1r27 h LYS 729 CO 0.02 -0.19 -1.57 1.88 -2.27 0.00 0.00 179.45 177.32 1r27 h TYR 730 N -0.89 0.16 0.12 1.91 -1.99 -0.91 -2.79 116.97 112.58 1r27 h TYR 730 Ca -0.05 -0.12 -0.31 0.00 2.00 0.00 0.00 58.73 60.24 1r27 h TYR 730 Cb 0.55 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.26 1r27 h TYR 730 CO 0.02 1.18 -1.65 -0.07 -0.00 0.00 0.00 178.16 177.64 1r27 h LEU 731 N 0.02 0.40 0.00 3.88 3.38 -1.42 -1.94 115.31 119.63 1r27 h LEU 731 Ca -0.24 -0.87 -0.26 0.00 0.09 0.00 0.00 57.88 56.60 1r27 h LEU 731 Cb 1.97 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.55 1r27 h LEU 731 CO 0.11 1.72 -1.93 0.18 0.09 0.00 0.00 178.44 178.60 1r27 n LEU 732 N -3.77 0.43 -1.93 1.67 4.77 -0.80 -1.35 117.00 116.02 1r27 n LEU 732 Ca -0.28 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 55.81 1r27 n LEU 732 Cb 0.96 0.25 0.04 0.00 -2.33 0.00 0.00 43.42 42.34 1r27 n LEU 732 CO 0.41 0.32 0.08 0.61 -1.33 0.00 0.00 177.39 177.49 1r27 n GLY 733 N 1.56 0.22 3.60 -0.72 0.00 -0.02 -4.57 105.19 105.26 1r27 n GLY 733 Ca -0.20 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 1r27 n GLY 733 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1r27 s THR 734 N -3.15 1.25 0.64 2.61 -1.32 -0.66 -4.23 115.64 110.79 1r27 s THR 734 Ca 0.14 -2.00 -0.18 0.00 -1.21 0.00 0.00 61.69 58.45 1r27 s THR 734 Cb -0.06 -2.55 -0.02 0.00 -1.51 0.00 0.00 72.50 68.35 1r27 s THR 734 CO 0.31 0.00 1.10 -0.62 -2.21 0.00 0.00 174.62 173.20 1r27 n GLU 735 N -0.99 0.91 -4.14 7.08 1.02 -1.26 -4.15 120.64 119.11 1r27 n GLU 735 Ca -0.09 0.36 -0.12 0.00 -0.02 0.00 0.00 57.16 57.29 1r27 n GLU 735 Cb 0.66 -2.32 -0.08 0.00 -0.02 0.00 0.00 31.44 29.68 1r27 n GLU 735 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1r27 s HIS 736 N -1.51 0.96 -0.19 -0.32 -3.43 -1.26 -4.68 115.29 104.86 1r27 s HIS 736 Ca 0.79 -1.20 0.15 0.00 -0.80 0.00 0.00 55.06 54.00 1r27 s HIS 736 Cb -0.39 -0.31 0.40 0.00 -1.43 0.00 0.00 32.58 30.85 1r27 s HIS 736 CO 0.44 -0.81 1.26 0.41 -2.00 0.00 0.00 174.74 174.05 1r27 n GLY 737 N -0.35 4.83 3.73 -1.38 0.00 -1.26 -5.04 105.19 105.71 1r27 n GLY 737 Ca 0.01 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.43 1r27 n GLY 737 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r27 s ILE 738 N -3.03 2.08 -0.22 -0.61 1.01 -1.26 -4.00 121.20 115.17 1r27 s ILE 738 Ca 0.37 0.06 0.09 0.00 0.00 0.00 0.00 60.65 61.17 1r27 s ILE 738 Cb 0.33 -3.04 -0.20 0.00 0.01 0.00 0.00 42.46 39.57 1r27 s ILE 738 CO 0.01 0.01 -0.09 0.00 0.00 0.00 0.00 174.94 174.86 1r27 n GLN 739 N 3.41 0.71 -2.04 2.79 1.13 -0.50 -4.93 117.38 117.94 1r27 n GLN 739 Ca 0.13 0.08 -0.29 0.00 -1.94 0.00 0.00 57.00 54.98 1r27 n GLN 739 Cb 0.36 -1.50 0.16 0.00 0.11 0.00 0.00 30.24 29.37 1r27 n GLN 739 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1r27 s GLY 740 N -5.97 1.76 0.16 1.08 0.00 -0.33 -4.98 107.32 99.05 1r27 s GLY 740 Ca -0.23 -1.24 0.05 0.00 0.00 0.00 0.00 44.72 43.30 1r27 s GLY 740 CO 0.68 -0.53 0.12 0.54 0.00 0.00 0.00 173.10 173.91 1r27 s LYS 741 N -5.73 2.87 0.00 2.90 1.02 -1.26 -5.05 119.74 114.48 1r27 s LYS 741 Ca 0.72 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.83 1r27 s LYS 741 Cb -0.05 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 1r27 s LYS 741 CO 0.51 0.49 0.00 -0.40 -0.92 0.00 0.00 175.35 175.03 1r27 n ASP 742 N -0.30 -0.32 0.01 2.83 5.68 -1.26 -4.87 116.55 118.33 1r27 n ASP 742 Ca -0.08 -0.79 -0.12 0.00 -0.50 0.00 0.00 54.79 53.30 1r27 n ASP 742 Cb 0.55 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.46 1r27 n ASP 742 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1r27 h LEU 743 N 0.00 0.06 -0.24 -2.12 5.85 -1.04 -3.01 115.31 114.83 1r27 h LEU 743 Ca 0.00 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1r27 h LEU 743 Cb 0.00 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1r27 h LEU 743 CO 0.00 0.08 0.15 1.23 -0.34 0.00 0.00 178.44 179.56 1r27 h GLY 744 N 0.05 0.34 2.00 3.75 0.00 -1.85 -1.96 103.07 105.40 1r27 h GLY 744 Ca 0.02 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1r27 h GLY 744 CO -0.00 0.13 -0.00 1.46 0.00 0.00 0.00 176.54 178.12 1r27 h GLN 745 N 0.32 0.00 -0.46 4.80 4.20 -1.91 -0.84 115.11 121.22 1r27 h GLN 745 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1r27 h GLN 745 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1r27 h GLN 745 CO -0.02 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.18 1r27 n GLN 746 N -3.12 3.46 -0.92 1.46 6.02 -1.04 -4.92 117.38 118.32 1r27 n GLN 746 Ca -0.03 -2.75 -0.00 0.00 -0.01 0.00 0.00 57.00 54.21 1r27 n GLN 746 Cb 0.09 -1.80 -0.00 0.00 1.02 0.00 0.00 30.24 29.54 1r27 n GLN 746 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r27 n GLY 747 N 0.42 0.03 3.52 1.08 0.00 -0.32 -4.92 105.19 105.00 1r27 n GLY 747 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1r27 n GLY 747 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r27 n GLY 748 N 0.88 -1.45 3.79 -0.02 0.00 -0.76 -4.97 105.19 102.66 1r27 n GLY 748 Ca -0.00 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.74 1r27 n GLY 748 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r27 s VAL 749 N -2.47 4.29 0.52 1.61 1.01 -1.26 -4.75 120.40 119.34 1r27 s VAL 749 Ca 0.65 1.69 0.04 0.00 0.00 0.00 0.00 61.98 64.36 1r27 s VAL 749 Cb -0.23 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.28 1r27 s VAL 749 CO 0.63 0.05 0.72 -0.54 0.00 0.00 0.00 175.10 175.96 1r27 s LYS 750 N -2.29 2.56 0.50 2.72 1.02 -1.26 -4.97 119.74 118.01 1r27 s LYS 750 Ca 0.52 -1.03 -0.22 0.00 0.02 0.00 0.00 55.97 55.26 1r27 s LYS 750 Cb -0.16 -2.58 -0.06 0.00 -0.52 0.00 0.00 37.83 34.50 1r27 s LYS 750 CO 0.21 -0.62 1.27 -2.14 -0.92 0.00 0.00 175.35 173.14 1r27 s PRO 751 N -4.64 3.46 0.04 -1.68 0.02 -1.26 -4.57 135.00 126.37 1r27 s PRO 751 Ca 0.58 2.02 0.24 0.00 0.02 0.00 0.00 61.00 63.85 1r27 s PRO 751 Cb -0.10 -2.35 0.22 0.00 0.02 0.00 0.00 34.50 32.30 1r27 s PRO 751 CO 0.37 -0.86 1.19 0.39 -0.33 0.00 0.00 177.00 177.76 1r27 n GLU 752 N -0.73 0.16 -0.00 5.54 1.02 -1.26 -4.32 120.64 121.05 1r27 n GLU 752 Ca 0.09 0.01 0.02 0.00 -0.02 0.00 0.00 57.16 57.26 1r27 n GLU 752 Cb 0.46 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 1r27 n GLU 752 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1r27 n GLU 753 N -1.77 1.70 -5.23 3.49 -0.58 -1.26 -5.03 120.64 111.96 1r27 n GLU 753 Ca 0.04 -0.03 -0.31 0.00 -0.42 0.00 0.00 57.16 56.43 1r27 n GLU 753 Cb 0.39 -1.00 -0.16 0.00 -0.57 0.00 0.00 31.44 30.10 1r27 n GLU 753 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1r27 s VAL 754 N -2.08 2.22 0.96 2.62 1.01 -1.26 -4.60 120.40 119.26 1r27 s VAL 754 Ca -0.01 -1.04 -0.11 0.00 0.00 0.00 0.00 61.98 60.83 1r27 s VAL 754 Cb 0.03 -1.79 0.17 0.00 0.00 0.00 0.00 36.38 34.79 1r27 s VAL 754 CO 0.20 0.58 1.11 -1.81 0.00 0.00 0.00 175.10 175.18 1r27 s ASP 755 N -0.51 2.63 0.06 3.32 1.01 -0.75 -4.55 116.67 117.89 1r27 s ASP 755 Ca 0.07 1.97 0.05 0.00 0.71 0.00 0.00 52.55 55.35 1r27 s ASP 755 Cb -0.11 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 1r27 s ASP 755 CO 0.00 -3.25 -0.15 0.86 0.21 0.00 0.00 175.17 172.85 1r27 s TRP 756 N -2.64 1.26 -0.01 4.23 -0.11 -1.26 -4.96 118.94 115.45 1r27 s TRP 756 Ca 0.66 -0.43 -0.00 0.00 1.22 0.00 0.00 56.10 57.56 1r27 s TRP 756 Cb -0.23 -0.72 0.02 0.00 -1.50 0.00 0.00 33.47 31.04 1r27 s TRP 756 CO 0.59 0.06 0.02 -0.65 -4.62 0.00 0.00 176.95 172.35 1r27 s GLN 757 N -1.57 -0.02 0.42 5.86 -0.21 -1.26 -5.03 119.66 117.85 1r27 s GLN 757 Ca -0.00 0.10 0.18 0.00 0.02 0.00 0.00 55.36 55.66 1r27 s GLN 757 Cb -0.09 -0.12 0.92 0.00 1.00 0.00 0.00 33.01 34.72 1r27 s GLN 757 CO 0.02 -0.08 1.88 -0.44 -2.12 0.00 0.00 175.29 174.55 1r27 h ASP 758 N 6.72 0.00 -3.88 5.90 3.32 -2.02 -3.36 116.42 123.10 1r27 h ASP 758 Ca -0.35 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.04 1r27 h ASP 758 Cb 1.17 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.32 1r27 h ASP 758 CO 0.49 0.29 -0.66 0.20 -1.72 0.00 0.00 179.24 177.84 1r27 s ASN 759 N -6.61 4.71 0.57 6.45 0.01 -1.26 -4.99 114.94 113.81 1r27 s ASN 759 Ca -0.02 -2.42 -0.20 0.00 -0.71 0.00 0.00 52.86 49.51 1r27 s ASN 759 Cb 0.13 -1.66 -0.04 0.00 0.41 0.00 0.00 41.25 40.09 1r27 s ASN 759 CO 0.68 -0.35 1.28 -0.83 -1.51 0.00 0.00 177.10 176.37 1r27 s GLY 760 N 0.64 2.83 0.11 0.66 0.00 -1.26 -4.94 107.32 105.37 1r27 s GLY 760 Ca 0.13 1.18 -0.31 0.00 0.00 0.00 0.00 44.72 45.72 1r27 s GLY 760 CO -0.05 1.64 1.58 -2.27 0.00 0.00 0.00 173.10 174.00 1r27 s LEU 761 N -3.80 4.37 0.27 0.66 2.96 -1.26 -5.02 118.68 116.86 1r27 s LEU 761 Ca 0.75 2.52 0.11 0.00 -0.22 0.00 0.00 54.13 57.28 1r27 s LEU 761 Cb -0.36 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.71 1r27 s LEU 761 CO 0.41 -0.83 -0.11 -1.61 -1.32 0.00 0.00 176.35 172.88 1r27 s GLU 762 N 1.83 1.96 -0.99 1.98 2.02 -1.26 -4.77 118.70 119.47 1r27 s GLU 762 Ca 0.71 -1.60 -0.06 0.00 0.02 0.00 0.00 54.97 54.04 1r27 s GLU 762 Cb -0.41 -1.95 0.01 0.00 0.10 0.00 0.00 34.13 31.87 1r27 s GLU 762 CO 0.31 0.35 0.86 0.41 0.02 0.00 0.00 175.26 177.22 1r27 n GLY 763 N -0.73 -0.16 0.34 -1.39 0.00 -0.85 -4.84 105.19 97.56 1r27 n GLY 763 Ca -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.97 1r27 n GLY 763 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r27 h LYS 764 N -1.94 0.95 -6.21 1.61 1.57 -1.27 -3.43 116.57 107.84 1r27 h LYS 764 Ca -0.42 -0.08 -0.56 0.00 -1.87 0.00 0.00 60.65 57.71 1r27 h LYS 764 Cb 1.27 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 33.35 1r27 h LYS 764 CO 0.41 0.67 0.81 -0.51 -0.57 0.00 0.00 179.45 180.26 1r27 s LEU 765 N -9.73 4.21 0.10 2.94 1.43 -0.45 -4.51 118.68 112.66 1r27 s LEU 765 Ca -0.11 1.71 -0.01 0.00 -1.03 0.00 0.00 54.13 54.69 1r27 s LEU 765 Cb 0.17 -3.55 -0.23 0.00 0.03 0.00 0.00 46.19 42.62 1r27 s LEU 765 CO 0.78 -0.68 1.21 0.44 0.23 0.00 0.00 176.35 178.33 1r27 h ASP 766 N 7.84 0.32 -3.60 2.29 3.32 0.32 -3.46 116.42 123.44 1r27 h ASP 766 Ca -0.29 -0.33 -0.19 0.00 0.02 0.00 0.00 57.03 56.25 1r27 h ASP 766 Cb 1.12 -0.10 -0.28 0.00 0.22 0.00 0.00 39.33 40.29 1r27 h ASP 766 CO 0.93 1.23 -0.49 -0.22 -1.72 0.00 0.00 179.24 178.98 1r27 s LEU 767 N -7.11 0.86 -0.20 1.55 2.96 -0.81 -5.03 118.68 110.89 1r27 s LEU 767 Ca -0.03 0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1r27 s LEU 767 Cb 0.08 0.69 0.04 0.00 0.50 0.00 0.00 46.19 47.50 1r27 s LEU 767 CO 0.86 -0.12 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.97 1r27 s VAL 768 N 0.65 1.72 -0.18 1.68 1.01 -1.26 -1.65 120.40 122.37 1r27 s VAL 768 Ca -0.04 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 1r27 s VAL 768 Cb -0.06 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1r27 s VAL 768 CO -0.04 0.23 -0.09 -0.69 0.00 0.00 0.00 175.10 174.51 1r27 s VAL 769 N 1.37 3.13 -0.07 2.92 1.01 -0.56 -1.61 120.40 126.59 1r27 s VAL 769 Ca -0.00 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.42 1r27 s VAL 769 Cb -0.16 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1r27 s VAL 769 CO -0.09 0.47 -0.19 -0.89 0.00 0.00 0.00 175.10 174.41 1r27 s THR 770 N 1.02 1.63 -0.21 3.92 2.01 -0.76 -0.41 115.64 122.84 1r27 s THR 770 Ca -0.00 -0.79 -0.05 0.00 0.31 0.00 0.00 61.69 61.16 1r27 s THR 770 Cb -0.15 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.93 1r27 s THR 770 CO -0.01 0.46 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.62 1r27 s LEU 771 N 0.31 3.19 0.31 4.42 1.02 -0.57 -0.47 118.68 126.90 1r27 s LEU 771 Ca -0.12 -0.24 -0.15 0.00 0.02 0.00 0.00 54.13 53.64 1r27 s LEU 771 Cb -0.15 -1.81 0.02 0.00 0.02 0.00 0.00 46.19 44.27 1r27 s LEU 771 CO 0.05 0.05 0.65 -0.62 0.02 0.00 0.00 176.35 176.49 1r27 s ASP 772 N 1.11 0.00 0.00 2.29 -1.08 -0.76 -4.08 116.67 114.15 1r27 s ASP 772 Ca 0.02 -0.95 0.10 0.00 -0.52 0.00 0.00 52.55 51.20 1r27 s ASP 772 Cb -0.14 0.72 -0.10 0.00 -1.46 0.00 0.00 42.92 41.93 1r27 s ASP 772 CO 0.01 -1.39 0.41 2.22 0.52 0.00 0.00 175.17 176.95 1r27 n PHE 773 N -0.47 0.00 -4.18 -5.34 1.16 -1.26 -1.07 117.46 106.30 1r27 n PHE 773 Ca -0.04 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.36 1r27 n PHE 773 Cb 0.60 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.35 1r27 n PHE 773 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 1r27 s ARG 774 N -1.90 0.82 -0.88 3.97 1.70 -1.26 -1.27 118.95 120.13 1r27 s ARG 774 Ca 0.04 -0.94 -0.25 0.00 -0.47 0.00 0.00 55.73 54.11 1r27 s ARG 774 Cb 0.07 -0.82 0.04 0.00 -0.57 0.00 0.00 34.95 33.68 1r27 s ARG 774 CO 0.39 0.18 1.35 -1.17 -1.08 0.00 0.00 175.30 174.97 1r27 s LEU 775 N -1.70 3.41 0.91 -1.89 0.20 -0.86 -4.84 118.68 113.91 1r27 s LEU 775 Ca -0.02 -0.99 -0.11 0.00 0.69 0.00 0.00 54.13 53.70 1r27 s LEU 775 Cb -0.10 -2.56 0.20 0.00 -0.43 0.00 0.00 46.19 43.30 1r27 s LEU 775 CO 0.02 -1.65 1.24 -0.94 -0.29 0.00 0.00 176.35 174.73 1r27 s SER 776 N 4.32 3.30 0.19 3.68 1.04 -1.26 -4.88 113.70 120.09 1r27 s SER 776 Ca 0.40 -0.07 -0.11 0.00 0.48 0.00 0.00 55.95 56.65 1r27 s SER 776 Cb -0.04 0.01 0.11 0.00 0.10 0.00 0.00 66.02 66.19 1r27 s SER 776 CO 0.02 -2.59 1.77 0.28 0.98 0.00 0.00 173.24 173.71 1r27 h SER 777 N -1.36 0.88 -0.45 7.02 0.02 -1.93 -1.44 113.55 116.28 1r27 h SER 777 Ca -0.41 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.40 1r27 h SER 777 Cb 1.23 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 1r27 h SER 777 CO 0.34 0.77 0.25 0.74 -1.14 0.00 0.00 176.83 177.79 1r27 h THR 778 N 0.92 1.16 -0.79 -2.27 2.02 -1.86 -2.30 112.91 109.78 1r27 h THR 778 Ca 0.23 -0.40 0.08 0.00 0.77 0.00 0.00 66.41 67.08 1r27 h THR 778 Cb 0.14 0.60 -0.07 0.00 -1.74 0.00 0.00 68.15 67.08 1r27 h THR 778 CO -0.03 0.17 0.46 0.00 0.37 0.00 0.00 175.52 176.49 1r27 h LEU 780 N 0.80 0.00 -2.88 0.00 5.85 -0.69 -1.82 115.31 116.58 1r27 h LEU 780 Ca 0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1r27 h LEU 780 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1r27 h LEU 780 CO -0.22 0.00 0.00 -1.22 -0.34 0.00 0.00 178.44 176.66 1r27 n TYR 781 N -3.61 0.53 -2.47 1.25 4.01 -0.45 -2.37 117.16 114.04 1r27 n TYR 781 Ca 0.00 -0.50 -0.23 0.00 -0.16 0.00 0.00 57.90 57.00 1r27 n TYR 781 Cb 0.28 -0.03 0.07 0.00 -0.31 0.00 0.00 39.34 39.35 1r27 n TYR 781 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1r27 s SER 782 N -1.01 4.81 -0.16 7.72 0.01 -0.68 -4.53 113.70 119.85 1r27 s SER 782 Ca 0.26 0.03 0.10 0.00 1.31 0.00 0.00 55.95 57.65 1r27 s SER 782 Cb 0.14 -0.69 -0.23 0.00 0.21 0.00 0.00 66.02 65.45 1r27 s SER 782 CO 0.18 -1.52 0.19 0.47 0.41 0.00 0.00 173.24 172.96 1r27 n ASP 783 N -2.69 0.94 -3.90 2.44 8.00 -0.63 -4.81 116.55 115.89 1r27 n ASP 783 Ca 0.10 0.10 -0.17 0.00 0.71 0.00 0.00 54.79 55.53 1r27 n ASP 783 Cb 0.60 0.18 -0.15 0.00 -0.02 0.00 0.00 41.12 41.72 1r27 n ASP 783 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1r27 s ILE 784 N -2.53 0.36 -0.16 0.53 1.01 -1.04 -1.61 121.20 117.76 1r27 s ILE 784 Ca -0.16 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.40 1r27 s ILE 784 Cb 0.07 -0.37 0.01 0.00 0.01 0.00 0.00 42.46 42.18 1r27 s ILE 784 CO 0.77 0.15 -0.18 -0.63 0.00 0.00 0.00 174.94 175.05 1r27 s ILE 785 N 0.49 2.40 -0.17 2.92 1.01 -0.36 -1.83 121.20 125.66 1r27 s ILE 785 Ca -0.05 -0.85 -0.04 0.00 0.00 0.00 0.00 60.65 59.70 1r27 s ILE 785 Cb -0.09 -2.00 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 1r27 s ILE 785 CO -0.01 0.53 -0.03 -0.76 0.00 0.00 0.00 174.94 174.67 1r27 s LEU 786 N 0.94 3.21 -0.11 2.97 1.43 0.38 -0.80 118.68 126.71 1r27 s LEU 786 Ca -0.03 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.59 1r27 s LEU 786 Cb -0.15 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1r27 s LEU 786 CO -0.03 0.12 1.22 -2.16 0.23 0.00 0.00 176.35 175.73 1r27 s PRO 787 N 0.65 4.30 0.20 1.29 0.04 -1.26 -1.83 135.00 138.40 1r27 s PRO 787 Ca -0.02 1.66 0.07 0.00 0.04 0.00 0.00 61.00 62.76 1r27 s PRO 787 Cb -0.14 -3.65 -0.04 0.00 0.04 0.00 0.00 34.50 30.70 1r27 s PRO 787 CO 0.02 -0.57 0.05 -0.08 0.04 0.00 0.00 177.00 176.46 1r27 s THR 788 N 2.82 3.89 0.32 1.26 -1.32 -0.23 -2.41 115.64 119.96 1r27 s THR 788 Ca 0.55 -1.48 -0.28 0.00 -1.21 0.00 0.00 61.69 59.27 1r27 s THR 788 Cb -0.23 -3.01 -0.09 0.00 -1.51 0.00 0.00 72.50 67.66 1r27 s THR 788 CO 0.18 -0.21 1.15 0.00 -2.21 0.00 0.00 174.62 173.53 1r27 s ALA 789 N -1.93 3.35 1.06 11.08 0.00 0.07 -4.38 121.76 131.01 1r27 s ALA 789 Ca 0.30 0.96 -0.15 0.00 0.00 0.00 0.00 51.96 53.07 1r27 s ALA 789 Cb -0.09 -3.36 0.22 0.00 0.00 0.00 0.00 23.12 19.89 1r27 s ALA 789 CO 0.21 -0.33 1.13 0.95 0.00 0.00 0.00 175.76 177.72 1r27 s THR 790 N -1.25 1.85 -0.12 0.00 -4.23 -1.26 -4.87 115.64 105.76 1r27 s THR 790 Ca 0.49 0.00 0.27 0.00 -1.18 0.00 0.00 61.69 61.27 1r27 s THR 790 Cb -0.32 -2.58 0.28 0.00 1.34 0.00 0.00 72.50 71.22 1r27 s THR 790 CO 0.42 0.00 1.82 -0.50 -0.54 0.00 0.00 174.62 175.82 1r27 h TRP 791 N -2.08 0.00 -0.57 3.99 6.55 -1.93 -1.35 115.95 120.56 1r27 h TRP 791 Ca -0.50 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.34 1r27 h TRP 791 Cb 1.31 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.61 1r27 h TRP 791 CO -0.75 0.00 0.00 0.66 -1.05 0.00 0.00 178.44 177.30 1r27 n TYR 792 N -2.47 0.75 -1.00 0.49 4.01 -1.26 -4.09 117.16 113.58 1r27 n TYR 792 Ca -0.00 -0.37 0.05 0.00 -0.16 0.00 0.00 57.90 57.41 1r27 n TYR 792 Cb 0.13 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.23 1r27 n TYR 792 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1r27 n GLU 793 N 1.58 1.31 -3.72 -0.72 1.02 -0.51 -0.36 120.64 119.24 1r27 n GLU 793 Ca 0.22 -1.85 -0.10 0.00 -0.02 0.00 0.00 57.16 55.41 1r27 n GLU 793 Cb 0.62 -1.11 -0.04 0.00 -0.02 0.00 0.00 31.44 30.88 1r27 n GLU 793 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1r27 s LYS 794 N -1.65 1.25 -0.12 3.49 -2.85 -1.23 -4.04 119.74 114.59 1r27 s LYS 794 Ca 0.16 -0.83 -0.09 0.00 -1.00 0.00 0.00 55.97 54.20 1r27 s LYS 794 Cb 0.14 0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 36.35 1r27 s LYS 794 CO 0.01 -0.51 0.20 -0.51 0.10 0.00 0.00 175.35 174.64 1r27 s ASP 795 N -2.86 6.43 0.11 0.03 1.01 -1.26 -2.29 116.67 117.84 1r27 s ASP 795 Ca 0.08 0.51 -0.24 0.00 0.71 0.00 0.00 52.55 53.60 1r27 s ASP 795 Cb 0.00 -2.11 0.08 0.00 1.01 0.00 0.00 42.92 41.90 1r27 s ASP 795 CO -0.06 0.32 1.13 -0.67 0.21 0.00 0.00 175.17 176.11 1r27 n ASP 796 N 2.39 -1.55 -4.32 0.27 -0.08 -0.75 -4.84 116.55 107.66 1r27 n ASP 796 Ca -0.18 -1.68 -0.17 0.00 -1.51 0.00 0.00 54.79 51.26 1r27 n ASP 796 Cb 0.54 2.49 -0.10 0.00 2.34 0.00 0.00 41.12 46.39 1r27 n ASP 796 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 1r27 s MET 797 N -2.04 1.25 -0.12 -0.67 -1.94 -1.26 -0.69 119.30 113.83 1r27 s MET 797 Ca 0.26 -1.55 -0.10 0.00 -1.71 0.00 0.00 55.69 52.59 1r27 s MET 797 Cb -0.02 -0.93 0.03 0.00 2.01 0.00 0.00 34.83 35.92 1r27 s MET 797 CO 0.03 0.13 0.30 1.21 -0.01 0.00 0.00 175.02 176.68 1r27 s ASN 798 N -3.27 -0.32 0.19 3.03 3.84 -0.57 -2.55 114.94 115.29 1r27 s ASN 798 Ca 0.21 0.62 -0.01 0.00 0.21 0.00 0.00 52.86 53.89 1r27 s ASN 798 Cb 0.01 0.60 -0.04 0.00 -0.55 0.00 0.00 41.25 41.27 1r27 s ASN 798 CO 0.05 -0.12 0.11 0.42 -2.79 0.00 0.00 177.10 174.77 1r27 s THR 799 N 0.39 0.08 0.23 -5.21 -4.23 -0.77 -2.62 115.64 103.51 1r27 s THR 799 Ca -0.02 -1.98 -0.14 0.00 -1.18 0.00 0.00 61.69 58.37 1r27 s THR 799 Cb -0.04 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.39 1r27 s THR 799 CO -0.02 -0.10 0.47 -0.55 -0.54 0.00 0.00 174.62 173.89 1r27 s SER 800 N -3.15 -0.11 0.32 3.99 0.15 -1.25 -4.52 113.70 109.13 1r27 s SER 800 Ca 0.36 -0.82 0.17 0.00 0.70 0.00 0.00 55.95 56.36 1r27 s SER 800 Cb 0.07 0.57 0.41 0.00 -1.71 0.00 0.00 66.02 65.36 1r27 s SER 800 CO 0.10 -1.10 1.60 0.44 1.20 0.00 0.00 173.24 175.49 1r27 h ASP 801 N 2.27 0.00 0.31 5.45 5.19 -1.84 -3.33 116.42 124.47 1r27 h ASP 801 Ca -0.27 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.00 1r27 h ASP 801 Cb 1.25 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 1r27 h ASP 801 CO 0.37 0.46 -0.58 0.24 -3.12 0.00 0.00 179.24 176.61 1r27 h MET 802 N 0.00 0.28 -4.30 3.56 2.86 -1.89 -3.40 114.93 112.04 1r27 h MET 802 Ca -0.00 -0.18 -0.18 0.00 -2.06 0.00 0.00 59.70 57.28 1r27 h MET 802 Cb 1.13 0.02 -0.14 0.00 0.06 0.00 0.00 31.60 32.67 1r27 h MET 802 CO 0.06 0.78 -0.51 -3.38 1.06 0.00 0.00 176.91 174.92 1r27 s HIS 803 N -3.82 0.84 -0.92 -0.22 -3.43 -1.25 -1.33 115.29 105.16 1r27 s HIS 803 Ca -0.04 -1.15 0.12 0.00 -0.80 0.00 0.00 55.06 53.18 1r27 s HIS 803 Cb 0.12 -0.35 0.55 0.00 -1.43 0.00 0.00 32.58 31.46 1r27 s HIS 803 CO 0.80 -0.67 1.38 -0.35 -2.00 0.00 0.00 174.74 173.91 1r27 n PRO 804 N -0.23 3.31 -3.80 -0.38 -0.04 -1.26 -4.39 135.00 128.21 1r27 n PRO 804 Ca -0.02 -2.13 -0.34 0.00 -0.04 0.00 0.00 63.50 60.97 1r27 n PRO 804 Cb 0.64 -1.86 -0.05 0.00 -0.04 0.00 0.00 33.50 32.20 1r27 n PRO 804 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1r27 s PHE 805 N -1.97 3.57 -0.14 0.54 0.08 -1.26 -1.39 117.98 117.41 1r27 s PHE 805 Ca 0.37 0.51 -0.00 0.00 0.12 0.00 0.00 56.93 57.93 1r27 s PHE 805 Cb 0.26 -1.94 -0.01 0.00 -0.57 0.00 0.00 43.02 40.76 1r27 s PHE 805 CO 0.15 0.62 -0.13 -1.50 -0.10 0.00 0.00 175.22 174.26 1r27 s ILE 806 N -1.31 2.96 0.19 0.64 2.07 -0.46 -4.52 121.20 120.76 1r27 s ILE 806 Ca 0.27 -0.68 -0.01 0.00 -1.41 0.00 0.00 60.65 58.82 1r27 s ILE 806 Cb -0.13 -2.25 -0.04 0.00 0.13 0.00 0.00 42.46 40.17 1r27 s ILE 806 CO 0.17 0.51 0.13 -1.38 -1.91 0.00 0.00 174.94 172.46 1r27 s HIS 807 N 0.56 1.09 0.30 3.50 -3.43 -1.08 -2.94 115.29 113.29 1r27 s HIS 807 Ca -0.08 -1.34 0.07 0.00 -0.80 0.00 0.00 55.06 52.91 1r27 s HIS 807 Cb -0.16 -0.53 -0.03 0.00 -1.43 0.00 0.00 32.58 30.44 1r27 s HIS 807 CO 0.04 -0.63 0.26 -1.25 -2.00 0.00 0.00 174.74 171.16 1r27 s PRO 808 N -4.14 2.85 -0.12 -0.38 0.04 -1.26 -1.51 135.00 130.48 1r27 s PRO 808 Ca 0.36 -1.16 -0.06 0.00 0.04 0.00 0.00 61.00 60.18 1r27 s PRO 808 Cb 0.07 -2.54 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 1r27 s PRO 808 CO 0.10 0.23 0.11 -0.51 0.04 0.00 0.00 177.00 176.97 1r27 s LEU 809 N -3.94 4.19 0.12 -3.56 1.02 0.13 -3.14 118.68 113.49 1r27 s LEU 809 Ca 0.38 0.38 0.02 0.00 0.02 0.00 0.00 54.13 54.93 1r27 s LEU 809 Cb -0.07 -2.01 -0.04 0.00 0.02 0.00 0.00 46.19 44.09 1r27 s LEU 809 CO 0.26 0.39 -0.06 -0.44 0.02 0.00 0.00 176.35 176.52 1r27 s SER 810 N -0.92 1.27 -0.62 2.29 0.01 -0.97 -1.82 113.70 112.94 1r27 s SER 810 Ca 0.14 -1.03 -0.21 0.00 1.31 0.00 0.00 55.95 56.16 1r27 s SER 810 Cb -0.12 0.08 0.09 0.00 0.21 0.00 0.00 66.02 66.28 1r27 s SER 810 CO 0.03 -0.45 0.82 0.00 0.41 0.00 0.00 173.24 174.05 1r27 s ALA 811 N -3.57 3.28 0.28 1.44 0.00 -1.15 -3.83 121.76 118.20 1r27 s ALA 811 Ca 0.14 -2.04 0.09 0.00 0.00 0.00 0.00 51.96 50.15 1r27 s ALA 811 Cb 0.05 -3.68 0.40 0.00 0.00 0.00 0.00 23.12 19.90 1r27 s ALA 811 CO -0.03 -2.54 1.65 0.00 0.00 0.00 0.00 175.76 174.84 1r27 h ALA 812 N 9.36 1.03 -2.73 0.00 0.00 -1.05 -3.44 119.26 122.43 1r27 h ALA 812 Ca -0.29 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 53.98 1r27 h ALA 812 Cb 1.08 -0.09 -0.19 0.00 0.00 0.00 0.00 17.79 18.59 1r27 h ALA 812 CO 1.14 0.68 -0.61 0.14 0.00 0.00 0.00 179.25 180.60 1r27 s VAL 813 N -3.83 0.13 0.57 0.00 -7.23 -1.20 -5.03 120.40 103.79 1r27 s VAL 813 Ca -0.03 -1.04 -0.19 0.00 -1.81 0.00 0.00 61.98 58.91 1r27 s VAL 813 Cb 0.13 -0.64 -0.05 0.00 0.56 0.00 0.00 36.38 36.38 1r27 s VAL 813 CO 0.77 -0.58 1.14 -1.81 -0.31 0.00 0.00 175.10 174.32 1r27 s ASP 814 N -1.83 5.53 0.08 4.85 1.01 -1.26 -4.29 116.67 120.75 1r27 s ASP 814 Ca -0.10 2.20 -0.36 0.00 0.71 0.00 0.00 52.55 55.01 1r27 s ASP 814 Cb -0.05 -2.58 -0.18 0.00 1.01 0.00 0.00 42.92 41.12 1r27 s ASP 814 CO -0.03 -1.35 1.00 -2.65 0.21 0.00 0.00 175.17 172.35 1r27 n PRO 815 N -1.49 0.30 -2.16 8.23 -0.02 -1.26 -4.91 135.00 133.69 1r27 n PRO 815 Ca 0.12 0.11 -0.33 0.00 -2.02 0.00 0.00 63.50 61.38 1r27 n PRO 815 Cb 0.51 -1.52 -0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1r27 n PRO 815 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r27 s ALA 816 N -0.19 2.84 0.00 3.55 0.00 -1.26 -4.73 121.76 121.96 1r27 s ALA 816 Ca 0.82 0.34 0.00 0.00 0.00 0.00 0.00 51.96 53.12 1r27 s ALA 816 Cb -1.10 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 18.82 1r27 s ALA 816 CO 0.55 -0.63 0.00 0.91 0.00 0.00 0.00 175.76 176.59 1r27 n TRP 817 N -1.87 0.00 -0.77 0.00 8.01 -1.26 -1.23 117.44 120.31 1r27 n TRP 817 Ca 0.08 0.00 0.08 0.00 -1.31 0.00 0.00 57.50 56.35 1r27 n TRP 817 Cb 0.53 0.00 0.29 0.00 -2.01 0.00 0.00 31.31 30.13 1r27 n TRP 817 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 1r27 n GLU 818 N 14.00 3.49 -2.05 -0.99 1.02 -0.70 -5.01 120.64 130.40 1r27 n GLU 818 Ca 0.00 -2.80 -0.34 0.00 -0.02 0.00 0.00 57.16 54.00 1r27 n GLU 818 Cb 0.00 -1.85 0.02 0.00 -0.02 0.00 0.00 31.44 29.59 1r27 n GLU 818 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r27 s ALA 819 N -2.33 2.61 0.05 0.62 0.00 -0.37 -4.87 121.76 117.47 1r27 s ALA 819 Ca 0.44 0.69 -0.00 0.00 0.00 0.00 0.00 51.96 53.08 1r27 s ALA 819 Cb 0.32 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 1r27 s ALA 819 CO 0.15 -0.97 -0.04 0.15 0.00 0.00 0.00 175.76 175.05 1r27 s LYS 820 N -3.65 0.54 0.70 0.00 1.02 -1.01 -4.68 119.74 112.66 1r27 s LYS 820 Ca 0.70 -1.03 -0.13 0.00 0.02 0.00 0.00 55.97 55.53 1r27 s LYS 820 Cb -0.22 0.12 0.02 0.00 -0.52 0.00 0.00 37.83 37.23 1r27 s LYS 820 CO 0.33 -0.08 1.09 -1.54 -0.92 0.00 0.00 175.35 174.24 1r27 s SER 821 N -2.45 4.93 0.21 2.83 1.04 -1.26 -0.75 113.70 118.26 1r27 s SER 821 Ca -0.00 1.87 -0.09 0.00 0.48 0.00 0.00 55.95 58.22 1r27 s SER 821 Cb 0.02 -2.53 0.28 0.00 0.10 0.00 0.00 66.02 63.88 1r27 s SER 821 CO -0.06 -1.75 1.78 0.44 0.98 0.00 0.00 173.24 174.63 1r27 h ASP 822 N -0.49 0.41 -0.52 7.02 3.32 -1.91 -0.12 116.42 124.13 1r27 h ASP 822 Ca -0.45 0.05 0.06 0.00 0.02 0.00 0.00 57.03 56.71 1r27 h ASP 822 Cb 1.23 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 1r27 h ASP 822 CO 0.53 0.25 0.23 -0.25 -1.72 0.00 0.00 179.24 178.28 1r27 h TRP 823 N 0.56 0.41 -0.06 4.55 2.91 -1.85 -1.30 115.95 121.17 1r27 h TRP 823 Ca 0.31 0.02 -0.13 0.00 1.13 0.00 0.00 58.89 60.22 1r27 h TRP 823 Cb 0.30 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.83 1r27 h TRP 823 CO -0.12 0.17 -0.57 0.93 -1.03 0.00 0.00 178.44 177.82 1r27 h GLU 824 N 0.44 0.18 -0.02 2.65 4.39 -1.75 -1.82 114.58 118.65 1r27 h GLU 824 Ca 0.24 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1r27 h GLU 824 Cb 0.20 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1r27 h GLU 824 CO -0.20 0.70 0.00 0.82 -1.16 0.00 0.00 179.01 179.17 1r27 h ILE 825 N 0.13 1.21 0.00 3.13 2.04 -0.43 -1.88 117.51 121.72 1r27 h ILE 825 Ca -0.00 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.13 1r27 h ILE 825 Cb 1.05 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1r27 h ILE 825 CO 0.09 0.17 -0.42 1.88 0.00 0.00 0.00 178.15 179.87 1r27 h TYR 826 N -0.23 0.00 -0.47 1.37 0.05 -1.28 -2.31 116.97 114.09 1r27 h TYR 826 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 1r27 h TYR 826 Cb 0.27 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 1r27 h TYR 826 CO 0.02 0.42 -0.15 -0.22 -1.05 0.00 0.00 178.16 177.17 1r27 h LYS 827 N 0.00 0.94 -0.45 4.88 3.64 -1.23 -0.93 116.57 123.42 1r27 h LYS 827 Ca -0.00 -0.38 -0.09 0.00 -1.27 0.00 0.00 60.65 58.91 1r27 h LYS 827 Cb 0.90 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 1r27 h LYS 827 CO 0.05 1.04 -0.10 0.00 -2.27 0.00 0.00 179.45 178.17 1r27 h ALA 828 N 0.87 0.99 -0.54 5.00 0.00 -1.12 -0.86 119.26 123.60 1r27 h ALA 828 Ca 0.12 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1r27 h ALA 828 Cb 0.71 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1r27 h ALA 828 CO 0.05 0.60 -0.10 0.82 0.00 0.00 0.00 179.25 180.63 1r27 h ILE 829 N 0.72 1.27 -0.78 0.00 2.04 -1.25 -1.85 117.51 117.66 1r27 h ILE 829 Ca 0.12 -1.25 -0.05 0.00 1.00 0.00 0.00 64.86 64.68 1r27 h ILE 829 Cb 0.58 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 1r27 h ILE 829 CO 0.04 0.44 0.29 0.00 0.00 0.00 0.00 178.15 178.92 1r27 h ALA 830 N 0.93 1.01 -0.53 1.87 0.00 -0.86 0.39 119.26 122.07 1r27 h ALA 830 Ca 0.14 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1r27 h ALA 830 Cb 0.66 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1r27 h ALA 830 CO 0.05 0.66 0.02 -0.22 0.00 0.00 0.00 179.25 179.76 1r27 h LYS 831 N 1.14 0.92 -0.21 0.00 3.64 -0.95 -1.70 116.57 119.41 1r27 h LYS 831 Ca 0.26 -0.28 -0.16 0.00 -1.27 0.00 0.00 60.65 59.20 1r27 h LYS 831 Cb 0.25 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1r27 h LYS 831 CO -0.02 0.93 -0.52 -0.22 -2.27 0.00 0.00 179.45 177.35 1r27 h LYS 832 N 0.80 0.59 -0.29 1.90 1.63 -1.08 -3.12 116.57 117.01 1r27 h LYS 832 Ca 0.15 -0.36 -0.00 0.00 -0.85 0.00 0.00 60.65 59.59 1r27 h LYS 832 Cb 0.50 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.15 1r27 h LYS 832 CO 0.02 0.97 0.17 0.35 -3.45 0.00 0.00 179.45 177.51 1r27 h PHE 833 N 0.46 0.38 -0.03 1.91 3.57 -0.77 -0.48 116.94 121.99 1r27 h PHE 833 Ca 0.02 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.52 1r27 h PHE 833 Cb 1.06 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 1r27 h PHE 833 CO 0.05 0.30 0.14 0.77 -2.23 0.00 0.00 178.31 177.33 1r27 h SER 834 N 0.36 0.00 0.02 0.41 0.02 -1.25 -0.68 113.55 112.43 1r27 h SER 834 Ca 0.10 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.71 1r27 h SER 834 Cb 0.03 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 1r27 h SER 834 CO -0.02 0.00 -1.91 1.21 -1.14 0.00 0.00 176.83 174.98 1r27 n GLU 835 N -3.15 0.61 0.26 3.45 2.13 -0.83 -4.38 120.64 118.73 1r27 n GLU 835 Ca -0.02 0.38 0.14 0.00 0.66 0.00 0.00 57.16 58.32 1r27 n GLU 835 Cb 0.21 -1.64 0.69 0.00 0.27 0.00 0.00 31.44 30.97 1r27 n GLU 835 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1r27 h VAL 836 N -0.71 0.41 0.00 6.31 2.07 -0.68 -3.05 116.25 120.59 1r27 h VAL 836 Ca -0.49 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1r27 h VAL 836 Cb 1.59 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1r27 h VAL 836 CO -0.21 0.12 -0.22 0.00 0.02 0.00 0.00 177.57 177.27 1r27 n VAL 838 N -2.44 0.37 0.00 0.00 0.31 -1.16 -0.25 118.33 115.16 1r27 n VAL 838 Ca 0.04 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1r27 n VAL 838 Cb 0.46 -1.96 0.00 0.00 -0.91 0.00 0.00 33.84 31.43 1r27 n VAL 838 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1r27 n GLY 839 N 4.13 1.23 0.02 2.92 0.00 -1.26 -4.80 105.19 107.43 1r27 n GLY 839 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 1r27 n GLY 839 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1r27 n HIS 840 N -2.00 0.00 -3.74 1.61 8.25 0.65 -5.02 115.22 114.97 1r27 n HIS 840 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1r27 n HIS 840 Cb 0.00 -0.21 -0.14 0.00 1.12 0.00 0.00 29.99 30.76 1r27 n HIS 840 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1r27 s LEU 841 N -4.70 0.65 0.00 2.41 1.43 0.22 -4.96 118.68 113.73 1r27 s LEU 841 Ca -0.04 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1r27 s LEU 841 Cb 0.01 0.52 0.00 0.00 0.03 0.00 0.00 46.19 46.76 1r27 s LEU 841 CO 0.15 -0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1r27 n GLY 842 N 4.13 2.48 3.44 -3.19 0.00 -1.26 -4.41 105.19 106.38 1r27 n GLY 842 Ca -0.25 -0.11 -0.44 0.00 0.00 0.00 0.00 46.02 45.22 1r27 n GLY 842 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 s LYS 843 N 3.83 3.34 0.51 1.61 1.02 -1.26 -2.33 119.74 126.47 1r27 s LYS 843 Ca 0.00 -1.34 0.03 0.00 0.02 0.00 0.00 55.97 54.68 1r27 s LYS 843 Cb 0.00 -4.57 0.03 0.00 -0.52 0.00 0.00 37.83 32.76 1r27 s LYS 843 CO 0.00 -1.77 0.72 -1.21 -0.92 0.00 0.00 175.35 172.17 1r27 s GLU 844 N 3.25 2.64 -0.09 1.68 0.41 -0.01 -4.93 118.70 121.66 1r27 s GLU 844 Ca 0.26 -0.88 0.04 0.00 -0.41 0.00 0.00 54.97 53.98 1r27 s GLU 844 Cb -0.12 -2.56 0.00 0.00 -1.78 0.00 0.00 34.13 29.68 1r27 s GLU 844 CO 0.00 -0.58 -0.21 0.99 -0.49 0.00 0.00 175.26 174.97 1r27 s THR 845 N -2.65 1.81 0.01 3.63 2.01 -1.26 -1.66 115.64 117.53 1r27 s THR 845 Ca 0.56 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.76 1r27 s THR 845 Cb -0.10 -1.58 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1r27 s THR 845 CO 0.37 0.51 -0.24 -0.62 -0.69 0.00 0.00 174.62 173.95 1r27 s ASP 846 N 0.36 3.32 -0.30 3.53 -1.08 0.45 -4.42 116.67 118.53 1r27 s ASP 846 Ca -0.16 -0.48 -0.09 0.00 -0.52 0.00 0.00 52.55 51.30 1r27 s ASP 846 Cb -0.17 -0.42 -0.01 0.00 -1.46 0.00 0.00 42.92 40.87 1r27 s ASP 846 CO 0.07 0.29 0.13 -0.63 0.52 0.00 0.00 175.17 175.55 1r27 s ILE 847 N -0.75 4.46 -0.13 4.11 -1.09 -1.04 -0.63 121.20 126.13 1r27 s ILE 847 Ca 0.12 -0.41 0.01 0.00 -2.23 0.00 0.00 60.65 58.13 1r27 s ILE 847 Cb -0.10 -3.24 -0.01 0.00 -1.58 0.00 0.00 42.46 37.53 1r27 s ILE 847 CO 0.01 0.12 -0.16 -0.69 -1.23 0.00 0.00 174.94 172.99 1r27 s VAL 848 N 1.60 2.72 0.14 2.92 1.01 0.95 -4.83 120.40 124.91 1r27 s VAL 848 Ca 0.05 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 1r27 s VAL 848 Cb -0.17 -2.12 -0.07 0.00 0.00 0.00 0.00 36.38 34.02 1r27 s VAL 848 CO 0.05 0.53 0.59 0.42 0.00 0.00 0.00 175.10 176.69 1r27 s THR 849 N 0.50 4.76 -0.07 3.92 -4.23 -1.26 0.23 115.64 119.49 1r27 s THR 849 Ca -0.11 1.03 -0.02 0.00 -1.18 0.00 0.00 61.69 61.41 1r27 s THR 849 Cb -0.16 -3.81 0.04 0.00 1.34 0.00 0.00 72.50 69.91 1r27 s THR 849 CO 0.05 0.32 0.05 -0.22 -0.54 0.00 0.00 174.62 174.28 1r27 s LEU 850 N -1.72 0.30 0.96 4.79 2.96 -0.03 -4.94 118.68 120.99 1r27 s LEU 850 Ca 0.36 -0.10 -0.11 0.00 -0.22 0.00 0.00 54.13 54.07 1r27 s LEU 850 Cb -0.17 -0.23 0.17 0.00 0.50 0.00 0.00 46.19 46.46 1r27 s LEU 850 CO 0.20 -0.26 1.11 -2.16 -1.32 0.00 0.00 176.35 173.91 1r27 s PRO 851 N 2.12 0.70 -0.00 0.98 0.04 -1.26 0.82 135.00 138.39 1r27 s PRO 851 Ca 0.04 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 1r27 s PRO 851 Cb -0.13 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.63 1r27 s PRO 851 CO -0.05 -2.76 1.75 0.42 0.04 0.00 0.00 177.00 176.40 1r27 s ILE 852 N -2.66 3.31 -0.00 0.56 1.01 0.36 -4.70 121.20 119.08 1r27 s ILE 852 Ca 0.66 0.46 -0.20 0.00 0.00 0.00 0.00 60.65 61.58 1r27 s ILE 852 Cb -0.22 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.89 1r27 s ILE 852 CO 0.59 -0.03 0.58 -1.10 0.00 0.00 0.00 174.94 174.98 1r27 s GLN 853 N 3.89 4.28 0.54 2.79 -1.52 -1.26 -2.47 119.66 125.92 1r27 s GLN 853 Ca 0.78 0.70 -0.20 0.00 -1.95 0.00 0.00 55.36 54.70 1r27 s GLN 853 Cb -0.37 -3.33 -0.06 0.00 -0.22 0.00 0.00 33.01 29.03 1r27 s GLN 853 CO 0.34 0.41 1.15 -1.58 -0.25 0.00 0.00 175.29 175.35 1r27 s HIS 854 N -0.31 2.63 -0.95 0.91 5.65 0.39 -3.13 115.29 120.48 1r27 s HIS 854 Ca 0.30 1.53 0.00 0.00 0.25 0.00 0.00 55.06 57.15 1r27 s HIS 854 Cb -0.18 -3.35 0.00 0.00 -1.18 0.00 0.00 32.58 27.87 1r27 s HIS 854 CO 0.17 -1.72 0.00 -0.25 -0.65 0.00 0.00 174.74 172.29 1r27 n ASP 855 N -1.27 -3.62 -4.08 9.88 8.00 -1.26 -4.89 116.55 119.32 1r27 n ASP 855 Ca 0.12 0.01 -0.10 0.00 0.71 0.00 0.00 54.79 55.53 1r27 n ASP 855 Cb 0.50 -2.80 -0.11 0.00 -0.02 0.00 0.00 41.12 38.69 1r27 n ASP 855 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1r27 s SER 856 N -2.53 0.66 0.50 -2.24 1.04 -1.19 -3.31 113.70 106.63 1r27 s SER 856 Ca 0.00 -0.78 0.18 0.00 0.48 0.00 0.00 55.95 55.83 1r27 s SER 856 Cb 0.00 0.12 1.24 0.00 0.10 0.00 0.00 66.02 67.48 1r27 s SER 856 CO 0.00 -0.41 2.06 0.00 0.98 0.00 0.00 173.24 175.87 1r27 h ALA 857 N 3.76 2.15 0.00 5.32 0.00 -1.96 -0.78 119.26 127.75 1r27 h ALA 857 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1r27 h ALA 857 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1r27 h ALA 857 CO 0.54 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.56 1r27 n ALA 858 N -2.57 1.19 0.20 0.00 0.00 -1.26 -2.25 120.51 115.82 1r27 n ALA 858 Ca 0.04 0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.68 1r27 n ALA 858 Cb 0.31 -1.24 0.44 0.00 0.00 0.00 0.00 19.45 18.96 1r27 n ALA 858 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1r27 n GLU 859 N -2.00 0.11 -2.41 0.00 0.28 -0.30 -2.77 120.64 113.56 1r27 n GLU 859 Ca -0.00 0.54 -0.41 0.00 -0.16 0.00 0.00 57.16 57.13 1r27 n GLU 859 Cb 0.07 -1.82 0.01 0.00 1.43 0.00 0.00 31.44 31.13 1r27 n GLU 859 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1r27 n LEU 860 N -2.06 7.53 0.00 -1.84 4.77 -0.95 -1.30 117.00 123.15 1r27 n LEU 860 Ca -0.00 -5.15 0.00 0.00 -0.03 0.00 0.00 56.01 50.83 1r27 n LEU 860 Cb 0.08 -1.26 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 1r27 n LEU 860 CO 0.10 2.00 0.00 0.00 -1.33 0.00 0.00 177.39 178.16 1r27 n ALA 861 N 0.90 0.00 -3.74 -1.18 0.00 -1.11 -4.83 120.51 110.56 1r27 n ALA 861 Ca 0.51 -0.01 -0.37 0.00 0.00 0.00 0.00 53.44 53.57 1r27 n ALA 861 Cb 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.60 1r27 n ALA 861 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1r27 s GLN 862 N -0.49 2.08 0.07 0.00 -0.21 -1.05 -4.95 119.66 115.11 1r27 s GLN 862 Ca 0.00 -1.80 -0.18 0.00 0.02 0.00 0.00 55.36 53.40 1r27 s GLN 862 Cb 0.00 -3.63 -0.12 0.00 1.00 0.00 0.00 33.01 30.26 1r27 s GLN 862 CO 0.00 -1.08 1.36 -1.00 -2.12 0.00 0.00 175.29 172.45 1r27 h PRO 863 N 8.11 0.53 0.00 2.91 0.13 -1.88 -3.41 132.00 138.40 1r27 h PRO 863 Ca -0.14 -0.30 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 1r27 h PRO 863 Cb 1.05 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1r27 h PRO 863 CO 0.72 0.89 -1.89 1.28 -0.23 0.00 0.00 178.00 178.77 1r27 n LEU 864 N -4.38 0.00 0.00 1.56 4.77 -1.26 -5.03 117.00 112.65 1r27 n LEU 864 Ca -0.05 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1r27 n LEU 864 Cb 0.44 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1r27 n LEU 864 CO 0.43 0.17 0.01 -0.90 -1.33 0.00 0.00 177.39 175.77 1r27 n ASP 865 N -2.30 -0.04 -4.34 -1.43 5.75 -1.26 -4.90 116.55 108.02 1r27 n ASP 865 Ca -0.13 -1.03 -0.34 0.00 -0.01 0.00 0.00 54.79 53.28 1r27 n ASP 865 Cb 0.69 0.07 -0.14 0.00 -1.03 0.00 0.00 41.12 40.71 1r27 n ASP 865 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1r27 s VAL 866 N -2.76 3.37 -0.09 2.12 1.01 -1.26 -4.83 120.40 117.97 1r27 s VAL 866 Ca 0.00 -0.51 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1r27 s VAL 866 Cb -0.00 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1r27 s VAL 866 CO 0.00 0.45 -0.21 -0.54 0.00 0.00 0.00 175.10 174.81 1r27 s LYS 867 N 1.13 2.64 -0.33 2.72 1.02 -1.26 -5.11 119.74 120.55 1r27 s LYS 867 Ca 0.01 -0.75 -0.10 0.00 0.02 0.00 0.00 55.97 55.15 1r27 s LYS 867 Cb -0.15 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 1r27 s LYS 867 CO -0.01 0.15 0.17 0.34 -0.92 0.00 0.00 175.35 175.08 1r27 s ASP 868 N 0.41 5.63 0.41 2.83 -1.08 -1.26 -4.89 116.67 118.71 1r27 s ASP 868 Ca -0.17 -0.67 0.09 0.00 -0.52 0.00 0.00 52.55 51.27 1r27 s ASP 868 Cb -0.17 -2.01 0.86 0.00 -1.46 0.00 0.00 42.92 40.13 1r27 s ASP 868 CO 0.07 -0.26 2.00 4.11 0.52 0.00 0.00 175.17 181.62 1r27 h TRP 869 N 8.38 0.37 0.00 -5.34 5.08 -1.83 -1.59 115.95 121.03 1r27 h TRP 869 Ca -0.30 -0.01 -0.02 0.00 1.08 0.00 0.00 58.89 59.64 1r27 h TRP 869 Cb 1.13 -0.12 -0.00 0.00 -3.00 0.00 0.00 29.16 27.17 1r27 h TRP 869 CO 0.62 0.32 -0.08 -0.22 -1.28 0.00 0.00 178.44 177.80 1r27 h LYS 870 N 0.37 0.00 -0.37 0.12 3.64 -1.93 -0.74 116.57 117.65 1r27 h LYS 870 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1r27 h LYS 870 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1r27 h LYS 870 CO -0.01 0.08 0.00 1.63 -2.27 0.00 0.00 179.45 178.89 1r27 n LYS 871 N -3.25 2.12 -2.19 1.90 5.02 -0.66 -4.92 118.16 116.17 1r27 n LYS 871 Ca -0.00 -1.72 -0.11 0.00 -2.02 0.00 0.00 58.31 54.46 1r27 n LYS 871 Cb 0.31 -1.43 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 1r27 n LYS 871 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r27 n GLY 872 N 1.30 -0.06 0.03 0.72 0.00 -0.28 -4.92 105.19 101.98 1r27 n GLY 872 Ca 0.17 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.89 1r27 n GLY 872 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r27 n GLU 873 N -2.09 0.10 -3.76 1.61 1.02 -0.82 -4.97 120.64 111.73 1r27 n GLU 873 Ca -0.13 -0.06 -0.01 0.00 -0.02 0.00 0.00 57.16 56.94 1r27 n GLU 873 Cb 0.60 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1r27 n GLU 873 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r27 s ASP 875 N -3.17 6.14 -0.73 0.00 2.15 -1.26 -4.30 116.67 115.51 1r27 s ASP 875 Ca 0.17 0.91 -0.27 0.00 0.43 0.00 0.00 52.55 53.79 1r27 s ASP 875 Cb 0.01 -2.16 0.03 0.00 -0.30 0.00 0.00 42.92 40.51 1r27 s ASP 875 CO 0.00 -0.68 1.24 -0.22 -0.17 0.00 0.00 175.17 175.35 1r27 s LEU 876 N -4.80 3.30 -0.37 -1.34 0.20 -1.26 -4.76 118.68 109.64 1r27 s LEU 876 Ca 0.49 -0.50 -0.04 0.00 0.69 0.00 0.00 54.13 54.76 1r27 s LEU 876 Cb -0.10 -2.55 0.08 0.00 -0.43 0.00 0.00 46.19 43.18 1r27 s LEU 876 CO 0.45 -1.79 0.14 -0.63 -0.29 0.00 0.00 176.35 174.23 1r27 s ILE 877 N 5.55 3.44 0.12 6.68 1.01 -1.26 -4.98 121.20 131.76 1r27 s ILE 877 Ca 0.34 -1.62 -0.35 0.00 0.00 0.00 0.00 60.65 59.02 1r27 s ILE 877 Cb -0.09 -3.15 -0.15 0.00 0.01 0.00 0.00 42.46 39.09 1r27 s ILE 877 CO 0.15 -0.42 1.52 -2.65 0.00 0.00 0.00 174.94 173.53 1r27 n PRO 878 N 4.69 1.81 -0.66 2.79 -0.02 -1.26 -1.21 135.00 141.13 1r27 n PRO 878 Ca -0.08 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 1r27 n PRO 878 Cb 0.43 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1r27 n PRO 878 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r27 n GLY 879 N 3.18 0.79 1.51 -1.23 0.00 0.12 -4.80 105.19 104.76 1r27 n GLY 879 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1r27 n GLY 879 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r27 n LYS 880 N -2.15 0.00 0.00 1.61 4.81 -0.35 -4.86 118.16 117.22 1r27 n LYS 880 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1r27 n LYS 880 Cb 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 35.03 34.92 1r27 n LYS 880 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1r27 n THR 881 N -2.28 0.38 -3.65 3.15 -2.24 -0.47 -4.43 114.28 104.75 1r27 n THR 881 Ca 0.00 -0.59 -0.10 0.00 -2.27 0.00 0.00 64.05 61.09 1r27 n THR 881 Cb 0.01 0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 69.12 1r27 n THR 881 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r27 s ALA 882 N -0.38 -1.09 0.96 6.98 0.00 -1.07 -4.29 121.76 122.87 1r27 s ALA 882 Ca 0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.83 1r27 s ALA 882 Cb 0.00 0.82 0.17 0.00 0.00 0.00 0.00 23.12 24.11 1r27 s ALA 882 CO 0.00 -0.76 1.11 -1.25 0.00 0.00 0.00 175.76 174.85 1r27 s PRO 883 N -3.83 0.70 0.52 0.00 0.04 -1.26 0.16 135.00 131.34 1r27 s PRO 883 Ca 0.06 1.26 -0.20 0.00 0.04 0.00 0.00 61.00 62.16 1r27 s PRO 883 Cb -0.00 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.76 1r27 s PRO 883 CO -0.07 -2.75 1.11 -1.01 0.04 0.00 0.00 177.00 174.32 1r27 s HIS 884 N -2.66 2.78 -0.25 0.56 3.76 0.24 -2.92 115.29 116.81 1r27 s HIS 884 Ca 0.66 1.55 0.01 0.00 -0.15 0.00 0.00 55.06 57.14 1r27 s HIS 884 Cb -0.22 -3.24 0.04 0.00 1.11 0.00 0.00 32.58 30.27 1r27 s HIS 884 CO 0.59 -1.37 -0.11 0.42 -0.85 0.00 0.00 174.74 173.43 1r27 s ILE 885 N -1.80 2.37 0.19 0.60 1.01 -1.26 -0.85 121.20 121.46 1r27 s ILE 885 Ca 0.70 -1.35 0.09 0.00 0.00 0.00 0.00 60.65 60.09 1r27 s ILE 885 Cb -0.22 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 1r27 s ILE 885 CO 0.26 0.12 -0.07 -0.04 0.00 0.00 0.00 174.94 175.21 1r27 s MET 886 N 1.20 2.14 -0.21 2.79 -1.94 0.14 -4.95 119.30 118.46 1r27 s MET 886 Ca -0.04 -1.25 -0.05 0.00 -1.71 0.00 0.00 55.69 52.64 1r27 s MET 886 Cb -0.18 -2.20 -0.02 0.00 2.01 0.00 0.00 34.83 34.45 1r27 s MET 886 CO -0.06 0.43 -0.01 0.08 -0.01 0.00 0.00 175.02 175.45 1r27 s VAL 887 N -1.75 3.72 -0.12 -6.03 1.01 -1.26 -0.03 120.40 115.92 1r27 s VAL 887 Ca 0.26 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1r27 s VAL 887 Cb -0.09 -2.69 0.02 0.00 0.00 0.00 0.00 36.38 33.62 1r27 s VAL 887 CO 0.16 0.42 -0.16 -0.69 0.00 0.00 0.00 175.10 174.83 1r27 s VAL 888 N 1.25 1.62 -0.07 2.92 1.01 0.20 -4.95 120.40 122.39 1r27 s VAL 888 Ca 0.03 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 1r27 s VAL 888 Cb -0.15 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 1r27 s VAL 888 CO 0.00 0.47 0.69 -1.61 0.00 0.00 0.00 175.10 174.64 1r27 s GLU 889 N 1.08 4.43 -0.11 2.72 0.41 -1.26 -0.41 118.70 125.56 1r27 s GLU 889 Ca -0.04 0.85 0.02 0.00 -0.41 0.00 0.00 54.97 55.40 1r27 s GLU 889 Cb -0.14 -3.45 0.01 0.00 -1.78 0.00 0.00 34.13 28.77 1r27 s GLU 889 CO -0.04 0.07 -0.18 1.03 -0.49 0.00 0.00 175.26 175.65 1r27 s ARG 890 N 0.78 2.47 -0.93 1.61 0.52 -0.66 -4.98 118.95 117.75 1r27 s ARG 890 Ca 0.37 -0.66 -0.09 0.00 -0.52 0.00 0.00 55.73 54.83 1r27 s ARG 890 Cb -0.18 -2.02 0.24 0.00 0.52 0.00 0.00 34.95 33.52 1r27 s ARG 890 CO 0.18 0.00 0.87 0.34 0.02 0.00 0.00 175.30 176.71 1r27 s ASP 891 N 0.79 6.70 0.23 0.23 -1.08 -1.26 -0.83 116.67 121.45 1r27 s ASP 891 Ca -0.10 -3.24 -0.07 0.00 -0.52 0.00 0.00 52.55 48.62 1r27 s ASP 891 Cb -0.16 -2.12 0.35 0.00 -1.46 0.00 0.00 42.92 39.53 1r27 s ASP 891 CO 0.01 -0.37 1.76 1.88 0.52 0.00 0.00 175.17 178.97 1r27 h TYR 892 N 6.97 0.56 0.00 -5.34 -1.99 -1.76 -0.29 116.97 115.12 1r27 h TYR 892 Ca 0.13 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.89 1r27 h TYR 892 Cb 0.93 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.51 1r27 h TYR 892 CO 0.84 0.17 0.00 -1.35 -0.00 0.00 0.00 178.16 177.82 1r27 h PRO 893 N 0.53 0.00 -0.54 4.88 0.11 -1.78 -2.03 132.00 133.17 1r27 h PRO 893 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1r27 h PRO 893 Cb 0.43 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.54 1r27 h PRO 893 CO -0.31 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.48 1r27 n ALA 894 N -1.83 2.41 -0.19 -0.75 0.00 -0.13 -4.58 120.51 115.44 1r27 n ALA 894 Ca 0.00 -1.08 -0.00 0.00 0.00 0.00 0.00 53.44 52.37 1r27 n ALA 894 Cb 0.15 -0.93 0.09 0.00 0.00 0.00 0.00 19.45 18.76 1r27 n ALA 894 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1r27 h THR 895 N 4.06 0.55 -0.31 0.00 2.02 -1.23 -0.67 112.91 117.33 1r27 h THR 895 Ca 0.00 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 1r27 h THR 895 Cb 0.91 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1r27 h THR 895 CO 0.00 0.02 0.02 0.22 0.37 0.00 0.00 175.52 176.15 1r27 h TYR 896 N 0.13 0.58 -0.10 3.16 3.20 -1.81 -0.66 116.97 121.46 1r27 h TYR 896 Ca 0.30 -0.09 -0.04 0.00 3.14 0.00 0.00 58.73 62.03 1r27 h TYR 896 Cb 0.46 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1r27 h TYR 896 CO -0.33 0.65 -0.13 0.93 -1.64 0.00 0.00 178.16 177.64 1r27 h GLU 897 N 0.34 0.16 0.06 1.82 4.39 -1.76 -1.44 114.58 118.14 1r27 h GLU 897 Ca 0.09 -0.03 -0.28 0.00 0.34 0.00 0.00 59.36 59.48 1r27 h GLU 897 Cb 0.41 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1r27 h GLU 897 CO 0.01 0.30 -1.13 0.00 -1.16 0.00 0.00 179.01 177.03 1r27 h ARG 898 N 0.15 0.62 -0.39 2.33 3.08 -0.98 -3.23 114.38 115.96 1r27 h ARG 898 Ca 0.03 -0.75 0.04 0.00 0.07 0.00 0.00 59.98 59.37 1r27 h ARG 898 Cb 0.33 0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.57 1r27 h ARG 898 CO 0.02 1.32 0.18 0.35 -1.07 0.00 0.00 179.97 180.77 1r27 h PHE 899 N 0.32 0.32 -0.33 3.04 3.57 -0.73 -2.71 116.94 120.42 1r27 h PHE 899 Ca -0.15 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.23 1r27 h PHE 899 Cb 1.79 -0.09 -0.08 0.00 2.79 0.00 0.00 35.95 40.36 1r27 h PHE 899 CO 0.10 0.16 0.17 0.25 -2.23 0.00 0.00 178.31 176.76 1r27 n THR 900 N -4.95 1.59 -3.61 4.41 -2.24 -0.58 -4.83 114.28 104.07 1r27 n THR 900 Ca 0.02 -0.66 -0.16 0.00 -2.27 0.00 0.00 64.05 60.98 1r27 n THR 900 Cb 0.11 -0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 67.58 1r27 n THR 900 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1r27 s SER 901 N 0.03 -0.47 -0.21 3.42 1.04 -1.02 -0.74 113.70 115.74 1r27 s SER 901 Ca 0.21 0.45 -0.26 0.00 0.48 0.00 0.00 55.95 56.83 1r27 s SER 901 Cb 0.17 0.45 -0.00 0.00 0.10 0.00 0.00 66.02 66.74 1r27 s SER 901 CO 0.05 -0.56 0.88 -0.63 0.98 0.00 0.00 173.24 173.96 1r27 s ILE 902 N -1.32 4.81 0.90 -1.02 1.01 -0.19 -4.84 121.20 120.55 1r27 s ILE 902 Ca -0.12 1.70 -0.11 0.00 0.00 0.00 0.00 60.65 62.13 1r27 s ILE 902 Cb -0.02 -4.17 0.13 0.00 0.01 0.00 0.00 42.46 38.41 1r27 s ILE 902 CO 0.07 -0.06 1.10 -0.83 0.00 0.00 0.00 174.94 175.22 1r27 s GLY 903 N 1.25 1.65 0.33 6.18 0.00 -1.24 -4.25 107.32 111.24 1r27 s GLY 903 Ca 0.38 0.24 0.26 0.00 0.00 0.00 0.00 44.72 45.61 1r27 s GLY 903 CO 0.09 0.70 1.79 -0.56 0.00 0.00 0.00 173.10 175.11 1r27 h PRO 904 N -1.67 0.00 0.00 2.90 0.13 -1.86 -3.28 132.00 128.22 1r27 h PRO 904 Ca -0.47 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.61 1r27 h PRO 904 Cb 1.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1r27 h PRO 904 CO 0.49 0.00 -0.23 -0.07 -0.23 0.00 0.00 178.00 177.96 1r27 h LEU 905 N 0.00 0.00 -1.29 1.56 3.38 -1.53 -0.47 115.31 116.95 1r27 h LEU 905 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1r27 h LEU 905 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1r27 h LEU 905 CO 0.00 0.23 0.07 0.24 0.09 0.00 0.00 178.44 179.07 1r27 h MET 906 N 0.00 0.55 0.06 1.13 2.86 -1.73 0.16 114.93 117.96 1r27 h MET 906 Ca -0.00 -0.10 -0.30 0.00 -2.06 0.00 0.00 59.70 57.24 1r27 h MET 906 Cb 0.46 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1r27 h MET 906 CO 0.03 0.52 -1.64 0.93 1.06 0.00 0.00 176.91 177.82 1r27 h GLU 907 N 0.54 0.13 0.01 1.72 5.08 -1.67 -2.90 114.58 117.48 1r27 h GLU 907 Ca 0.12 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1r27 h GLU 907 Cb 0.24 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1r27 h GLU 907 CO -0.00 0.89 -0.10 -0.22 -1.00 0.00 0.00 179.01 178.57 1r27 h LYS 908 N 0.04 0.06 0.00 2.33 3.64 -0.92 -3.42 116.57 118.30 1r27 h LYS 908 Ca -0.27 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 58.95 1r27 h LYS 908 Cb 2.00 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.82 1r27 h LYS 908 CO 0.11 0.89 -1.10 -0.89 -2.27 0.00 0.00 179.45 176.19 1r27 n ILE 909 N -4.61 1.48 0.00 2.00 5.41 0.51 -5.07 119.36 119.08 1r27 n ILE 909 Ca -0.10 0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.72 1r27 n ILE 909 Cb 0.46 -2.27 0.00 0.00 -0.71 0.00 0.00 39.64 37.12 1r27 n ILE 909 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1r27 n GLY 910 N 1.47 0.76 3.25 7.39 0.00 -0.95 -4.91 105.19 112.19 1r27 n GLY 910 Ca -0.19 -1.96 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 1r27 n GLY 910 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r27 s ASN 911 N -4.00 0.72 0.00 1.61 3.04 -0.96 -4.45 114.94 110.89 1r27 s ASN 911 Ca 0.00 -1.47 0.00 0.00 0.04 0.00 0.00 52.86 51.43 1r27 s ASN 911 Cb 0.00 0.38 0.00 0.00 -1.54 0.00 0.00 41.25 40.09 1r27 s ASN 911 CO 0.00 -0.87 0.00 0.61 -3.04 0.00 0.00 177.10 173.80 1r27 n GLY 912 N -0.39 -2.50 0.00 1.21 0.00 -1.26 -1.32 105.19 100.93 1r27 n GLY 912 Ca 0.03 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1r27 n GLY 912 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r27 n GLY 913 N -0.78 1.35 2.51 -0.02 0.00 -0.16 -4.87 105.19 103.22 1r27 n GLY 913 Ca 0.00 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 1r27 n GLY 913 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r27 n LYS 914 N -0.41 -1.54 -0.16 1.61 3.00 -1.26 -2.23 118.16 117.17 1r27 n LYS 914 Ca 0.00 1.13 0.00 0.00 -0.00 0.00 0.00 58.31 59.44 1r27 n LYS 914 Cb 0.00 -5.61 0.00 0.00 0.00 0.00 0.00 35.03 29.42 1r27 n LYS 914 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1r27 n GLY 915 N -0.60 0.59 3.39 3.14 0.00 -1.21 -4.94 105.19 105.56 1r27 n GLY 915 Ca -0.22 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.60 1r27 n GLY 915 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1r27 s ILE 916 N -2.35 1.82 0.11 -0.61 -4.36 -0.95 -4.98 121.20 109.88 1r27 s ILE 916 Ca 0.00 -2.21 -0.10 0.00 -0.26 0.00 0.00 60.65 58.07 1r27 s ILE 916 Cb 0.00 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.50 1r27 s ILE 916 CO 0.00 -0.47 0.25 0.00 0.24 0.00 0.00 174.94 174.96 1r27 s ALA 917 N -2.92 -0.34 0.24 2.27 0.00 -1.26 -0.99 121.76 118.76 1r27 s ALA 917 Ca 0.26 -0.54 -0.16 0.00 0.00 0.00 0.00 51.96 51.51 1r27 s ALA 917 Cb 0.00 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.73 1r27 s ALA 917 CO 0.10 -0.57 0.56 1.67 0.00 0.00 0.00 175.76 177.52 1r27 s TRP 918 N -3.87 0.07 0.13 0.00 -2.14 -0.43 -4.80 118.94 107.89 1r27 s TRP 918 Ca 0.07 -0.46 -0.27 0.00 2.66 0.00 0.00 56.10 58.11 1r27 s TRP 918 Cb 0.04 0.39 -0.07 0.00 -3.10 0.00 0.00 33.47 30.73 1r27 s TRP 918 CO -0.09 -1.04 0.83 1.21 -2.66 0.00 0.00 176.95 175.19 1r27 s ASN 919 N -2.95 7.39 -0.14 -2.66 3.84 -1.26 -2.28 114.94 116.88 1r27 s ASN 919 Ca 0.15 1.65 0.18 0.00 0.21 0.00 0.00 52.86 55.05 1r27 s ASN 919 Cb -0.02 -2.52 0.44 0.00 -0.55 0.00 0.00 41.25 38.60 1r27 s ASN 919 CO 0.05 0.09 1.18 1.07 -2.79 0.00 0.00 177.10 176.71 1r27 n THR 920 N 2.17 1.20 -0.27 -5.21 5.66 -1.26 -4.83 114.28 111.74 1r27 n THR 920 Ca -0.03 -2.37 -0.03 0.00 -3.05 0.00 0.00 64.05 58.58 1r27 n THR 920 Cb 0.49 0.37 0.14 0.00 -1.55 0.00 0.00 70.33 69.78 1r27 n THR 920 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 1r27 h GLN 921 N 1.32 1.12 -0.28 1.09 5.75 -1.91 -2.54 115.11 119.66 1r27 h GLN 921 Ca -0.08 -0.14 -0.06 0.00 -0.15 0.00 0.00 58.65 58.22 1r27 h GLN 921 Cb 1.47 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.79 1r27 h GLN 921 CO 0.14 0.84 -0.08 0.66 -2.65 0.00 0.00 178.83 177.74 1r27 h SER 922 N 1.12 0.43 0.37 -0.69 4.64 -2.00 -1.51 113.55 115.91 1r27 h SER 922 Ca 0.28 -0.10 -0.15 0.00 -0.47 0.00 0.00 61.79 61.36 1r27 h SER 922 Cb 0.06 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1r27 h SER 922 CO -0.04 0.56 -0.61 -0.33 -0.87 0.00 0.00 176.83 175.54 1r27 h GLU 923 N 0.43 0.24 -0.18 4.77 3.07 -1.81 -2.59 114.58 118.49 1r27 h GLU 923 Ca 0.09 -0.16 -0.18 0.00 -0.50 0.00 0.00 59.36 58.60 1r27 h GLU 923 Cb 0.41 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1r27 h GLU 923 CO 0.02 0.77 -0.62 0.52 -1.40 0.00 0.00 179.01 178.30 1r27 h MET 924 N 0.17 0.63 -0.62 2.33 2.86 -1.10 -1.19 114.93 118.01 1r27 h MET 924 Ca -0.01 -0.44 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 1r27 h MET 924 Cb 1.12 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 1r27 h MET 924 CO 0.09 1.06 0.36 -0.44 1.06 0.00 0.00 176.91 179.03 1r27 h ASP 925 N 0.47 0.77 -0.59 1.22 3.32 -1.19 -2.06 116.42 118.35 1r27 h ASP 925 Ca -0.01 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 56.91 1r27 h ASP 925 Cb 1.20 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 1r27 h ASP 925 CO 0.12 0.62 0.15 0.25 -1.72 0.00 0.00 179.24 178.66 1r27 h LEU 926 N 0.84 0.88 -1.62 1.55 5.85 -1.34 -2.84 115.31 118.63 1r27 h LEU 926 Ca 0.22 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1r27 h LEU 926 Cb 0.02 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1r27 h LEU 926 CO -0.04 0.88 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.74 1r27 h LEU 927 N 0.84 0.06 -1.32 2.25 3.38 -0.88 -1.45 115.31 118.20 1r27 h LEU 927 Ca 0.18 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1r27 h LEU 927 Cb 0.34 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1r27 h LEU 927 CO 0.00 0.21 -0.30 0.03 0.09 0.00 0.00 178.44 178.47 1r27 h ARG 928 N 0.07 0.06 0.10 1.13 3.08 -1.13 -0.56 114.38 117.13 1r27 h ARG 928 Ca 0.01 -0.02 -0.28 0.00 0.07 0.00 0.00 59.98 59.76 1r27 h ARG 928 Cb 0.29 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 1r27 h ARG 928 CO 0.02 0.36 -1.34 0.87 -1.07 0.00 0.00 179.97 178.81 1r27 h LYS 929 N 0.06 0.22 0.06 0.04 1.57 -1.28 -2.06 116.57 115.18 1r27 h LYS 929 Ca 0.01 -0.37 -0.18 0.00 -1.87 0.00 0.00 60.65 58.23 1r27 h LYS 929 Cb 0.56 0.14 0.02 0.00 0.08 0.00 0.00 32.23 33.03 1r27 h LYS 929 CO 0.04 1.12 -0.76 -0.07 -0.57 0.00 0.00 179.45 179.21 1r27 h LEU 930 N 0.06 0.56 -0.21 2.94 3.38 -1.17 -3.36 115.31 117.51 1r27 h LEU 930 Ca -0.17 -0.84 0.00 0.00 0.09 0.00 0.00 57.88 56.97 1r27 h LEU 930 Cb 1.97 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1r27 h LEU 930 CO 0.17 1.33 -0.84 0.59 0.09 0.00 0.00 178.44 179.79 1r27 n ASN 931 N -4.13 1.16 -0.38 -0.43 4.13 -0.23 -5.09 115.26 110.28 1r27 n ASN 931 Ca -0.12 -1.03 0.05 0.00 1.68 0.00 0.00 54.58 55.16 1r27 n ASN 931 Cb 0.77 0.81 -0.02 0.00 -1.54 0.00 0.00 39.78 39.80 1r27 n ASN 931 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1r27 n TYR 932 N -1.19 -0.98 -4.35 3.10 4.01 -0.77 -4.21 117.16 112.77 1r27 n TYR 932 Ca 0.05 0.50 -0.18 0.00 -0.16 0.00 0.00 57.90 58.11 1r27 n TYR 932 Cb 0.36 -0.89 -0.10 0.00 -0.31 0.00 0.00 39.34 38.40 1r27 n TYR 932 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1r27 s THR 933 N -1.77 1.66 0.27 -0.72 -4.23 -1.26 -1.14 115.64 108.46 1r27 s THR 933 Ca 0.00 -2.19 -0.30 0.00 -1.18 0.00 0.00 61.69 58.03 1r27 s THR 933 Cb 0.00 -2.08 -0.10 0.00 1.34 0.00 0.00 72.50 71.66 1r27 s THR 933 CO 0.00 -0.57 1.41 -0.54 -0.54 0.00 0.00 174.62 174.38 1r27 s LYS 934 N -3.67 4.28 0.23 3.99 -0.14 -0.69 -4.85 119.74 118.88 1r27 s LYS 934 Ca 0.23 2.30 0.23 0.00 -1.36 0.00 0.00 55.97 57.36 1r27 s LYS 934 Cb 0.00 -3.09 0.04 0.00 -1.68 0.00 0.00 37.83 33.10 1r27 s LYS 934 CO 0.07 -0.38 1.11 0.00 -0.76 0.00 0.00 175.35 175.39 1r27 h ALA 935 N 4.56 0.56 -2.37 5.17 0.00 -1.93 -1.49 119.26 123.76 1r27 h ALA 935 Ca -0.47 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1r27 h ALA 935 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1r27 h ALA 935 CO 0.74 0.00 0.09 -0.85 0.00 0.00 0.00 179.25 179.23 1r27 n GLU 936 N -2.71 0.38 -0.00 0.00 0.28 -1.26 -4.86 120.64 112.47 1r27 n GLU 936 Ca 0.00 -0.77 0.00 0.00 -0.16 0.00 0.00 57.16 56.24 1r27 n GLU 936 Cb 0.55 0.94 -0.00 0.00 1.43 0.00 0.00 31.44 34.36 1r27 n GLU 936 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1r27 n GLY 937 N -0.18 -2.08 0.36 -1.84 0.00 -1.26 -3.55 105.19 96.64 1r27 n GLY 937 Ca -0.03 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 44.70 1r27 n GLY 937 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1r27 h PRO 938 N 0.00 0.37 -0.50 1.61 0.11 -1.98 -2.63 132.00 128.98 1r27 h PRO 938 Ca 0.00 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 1r27 h PRO 938 Cb 0.00 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 30.97 1r27 h PRO 938 CO 0.00 0.25 0.08 0.00 -0.21 0.00 0.00 178.00 178.12 1r27 n ALA 939 N -2.53 3.85 -1.57 -0.75 0.00 -1.26 -5.02 120.51 113.23 1r27 n ALA 939 Ca 0.10 -2.30 -0.55 0.00 0.00 0.00 0.00 53.44 50.69 1r27 n ALA 939 Cb 0.40 -0.99 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 1r27 n ALA 939 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1r27 n LYS 940 N -0.17 0.78 -0.07 0.00 4.81 -0.99 -1.19 118.16 121.33 1r27 n LYS 940 Ca 0.30 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1r27 n LYS 940 Cb 1.15 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 34.32 1r27 n LYS 940 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1r27 n GLY 941 N 2.30 1.72 3.87 3.14 0.00 -0.56 -4.94 105.19 110.72 1r27 n GLY 941 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1r27 n GLY 941 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r27 s GLN 942 N -0.39 3.81 0.54 1.61 -1.52 -0.33 -4.76 119.66 118.63 1r27 s GLN 942 Ca 0.00 0.37 -0.22 0.00 -1.95 0.00 0.00 55.36 53.55 1r27 s GLN 942 Cb 0.00 -2.54 -0.05 0.00 -0.22 0.00 0.00 33.01 30.20 1r27 s GLN 942 CO 0.00 0.18 1.38 -2.30 -0.25 0.00 0.00 175.29 174.30 1r27 n PRO 943 N -0.60 1.77 -3.03 2.91 -0.02 -1.26 -1.71 135.00 133.07 1r27 n PRO 943 Ca 0.01 0.65 -0.30 0.00 -2.02 0.00 0.00 63.50 61.84 1r27 n PRO 943 Cb 0.53 -2.60 -0.03 0.00 -0.02 0.00 0.00 33.50 31.38 1r27 n PRO 943 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1r27 s MET 944 N -2.85 3.74 -0.43 -0.52 -1.94 -0.29 -1.03 119.30 115.97 1r27 s MET 944 Ca 0.71 0.33 0.09 0.00 -1.71 0.00 0.00 55.69 55.10 1r27 s MET 944 Cb -0.42 -2.48 0.31 0.00 2.01 0.00 0.00 34.83 34.25 1r27 s MET 944 CO 0.50 0.06 0.70 1.28 -0.01 0.00 0.00 175.02 177.54 1r27 n LEU 945 N -1.13 1.46 -0.02 -0.03 4.77 0.09 -4.74 117.00 117.39 1r27 n LEU 945 Ca 0.01 -5.05 -0.19 0.00 -0.03 0.00 0.00 56.01 50.74 1r27 n LEU 945 Cb 0.54 0.37 -0.13 0.00 -2.33 0.00 0.00 43.42 41.86 1r27 n LEU 945 CO 0.47 2.21 -0.13 0.78 -1.33 0.00 0.00 177.39 179.39 1r27 h ASN 946 N 3.43 0.25 -1.74 -1.43 -0.26 -1.93 -3.39 115.58 110.50 1r27 h ASN 946 Ca 0.11 -0.86 -0.50 0.00 -0.56 0.00 0.00 56.30 54.48 1r27 h ASN 946 Cb 0.84 -0.08 -0.04 0.00 -1.06 0.00 0.00 38.32 37.98 1r27 h ASN 946 CO 0.57 1.39 -0.44 0.42 -1.06 0.00 0.00 177.43 178.31 1r27 s THR 947 N -2.38 3.13 0.43 2.81 -4.23 -1.26 -5.00 115.64 109.14 1r27 s THR 947 Ca -0.20 -1.42 0.11 0.00 -1.18 0.00 0.00 61.69 59.00 1r27 s THR 947 Cb 0.02 -3.09 0.23 0.00 1.34 0.00 0.00 72.50 71.00 1r27 s THR 947 CO 0.73 -0.11 2.03 0.00 -0.54 0.00 0.00 174.62 176.73 1r27 h ALA 948 N 1.23 1.72 -0.09 3.99 0.00 -1.93 -1.13 119.26 123.05 1r27 h ALA 948 Ca -0.43 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.27 1r27 h ALA 948 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1r27 h ALA 948 CO 0.59 0.22 -0.46 0.82 0.00 0.00 0.00 179.25 180.42 1r27 h ILE 949 N 0.27 1.33 -0.55 0.00 2.04 -1.95 -0.41 117.51 118.24 1r27 h ILE 949 Ca 0.07 -1.65 -0.06 0.00 1.00 0.00 0.00 64.86 64.22 1r27 h ILE 949 Cb 0.12 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1r27 h ILE 949 CO -0.00 0.49 0.13 0.44 0.00 0.00 0.00 178.15 179.20 1r27 h ASP 950 N 0.17 0.85 -0.25 1.72 3.32 -1.58 -0.65 116.42 119.99 1r27 h ASP 950 Ca 0.01 -0.24 -0.10 0.00 0.02 0.00 0.00 57.03 56.72 1r27 h ASP 950 Cb 0.89 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1r27 h ASP 950 CO 0.07 0.87 -0.17 0.00 -1.72 0.00 0.00 179.24 178.29 1r27 h ALA 951 N 1.01 1.00 -0.41 3.45 0.00 -1.10 -1.86 119.26 121.35 1r27 h ALA 951 Ca 0.17 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1r27 h ALA 951 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1r27 h ALA 951 CO 0.00 0.59 -0.11 0.00 0.00 0.00 0.00 179.25 179.74 1r27 h ALA 952 N 1.19 0.57 0.00 0.00 0.00 -0.75 -2.28 119.26 117.98 1r27 h ALA 952 Ca 0.10 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 1r27 h ALA 952 Cb 0.64 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1r27 h ALA 952 CO 0.05 0.45 -0.26 0.93 0.00 0.00 0.00 179.25 180.42 1r27 h GLU 953 N 0.62 0.00 -0.20 0.00 4.39 -0.93 -1.15 114.58 117.32 1r27 h GLU 953 Ca 0.10 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 1r27 h GLU 953 Cb 0.64 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1r27 h GLU 953 CO 0.04 0.26 -0.06 1.98 -1.16 0.00 0.00 179.01 180.07 1r27 h MET 954 N 0.00 0.39 -0.27 2.33 1.85 -1.05 -1.37 114.93 116.80 1r27 h MET 954 Ca -0.00 -0.16 0.01 0.00 -0.61 0.00 0.00 59.70 58.94 1r27 h MET 954 Cb 0.50 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.50 1r27 h MET 954 CO 0.03 0.66 0.18 0.82 -0.40 0.00 0.00 176.91 178.19 1r27 h ILE 955 N 0.10 1.06 -0.74 1.77 2.04 -0.92 -1.53 117.51 119.29 1r27 h ILE 955 Ca 0.05 -0.12 -0.06 0.00 1.00 0.00 0.00 64.86 65.73 1r27 h ILE 955 Cb 0.52 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1r27 h ILE 955 CO 0.02 0.07 0.24 -0.07 0.00 0.00 0.00 178.15 178.40 1r27 h LEU 956 N 0.36 1.07 -0.43 1.44 3.38 -1.20 -2.11 115.31 117.82 1r27 h LEU 956 Ca 0.10 -0.21 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 1r27 h LEU 956 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1r27 h LEU 956 CO -0.03 0.99 -0.72 0.74 0.09 0.00 0.00 178.44 179.51 1r27 h THR 957 N 1.09 1.38 0.02 0.22 2.02 -1.12 -3.33 112.91 113.20 1r27 h THR 957 Ca 0.24 -2.14 -0.22 0.00 0.77 0.00 0.00 66.41 65.06 1r27 h THR 957 Cb 0.30 2.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 1r27 h THR 957 CO -0.01 0.64 -1.08 -0.07 0.37 0.00 0.00 175.52 175.38 1r27 h LEU 958 N 0.26 0.06 -9.68 2.58 3.38 -1.20 -3.44 115.31 107.27 1r27 h LEU 958 Ca -0.03 -0.06 -0.51 0.00 0.09 0.00 0.00 57.88 57.37 1r27 h LEU 958 Cb 1.29 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 1r27 h LEU 958 CO 0.12 1.05 0.40 0.00 0.09 0.00 0.00 178.44 180.10 1r27 s ALA 959 N -2.70 3.33 0.39 1.53 0.00 -0.80 -4.55 121.76 118.95 1r27 s ALA 959 Ca -0.00 0.69 0.26 0.00 0.00 0.00 0.00 51.96 52.91 1r27 s ALA 959 Cb 0.09 -3.28 1.36 0.00 0.00 0.00 0.00 23.12 21.29 1r27 s ALA 959 CO 0.83 -0.02 2.04 -1.00 0.00 0.00 0.00 175.76 177.61 1r27 h PRO 960 N 4.80 0.00 -0.00 0.00 0.13 -1.87 -0.89 132.00 134.17 1r27 h PRO 960 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1r27 h PRO 960 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1r27 h PRO 960 CO 0.70 0.14 -0.06 -0.85 -0.23 0.00 0.00 178.00 177.70 1r27 n GLU 961 N -3.66 0.50 0.00 0.86 0.00 -1.26 -3.64 120.64 113.43 1r27 n GLU 961 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.05 1r27 n GLU 961 Cb 0.26 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.20 1r27 n GLU 961 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1r27 n THR 962 N -1.17 0.00 -3.71 3.84 -2.24 -0.96 -0.05 114.28 109.98 1r27 n THR 962 Ca 0.14 -0.35 -0.28 0.00 -2.27 0.00 0.00 64.05 61.28 1r27 n THR 962 Cb 0.26 1.13 -0.16 0.00 -2.10 0.00 0.00 70.33 69.46 1r27 n THR 962 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1r27 s ASN 963 N -0.39 3.24 0.53 3.42 3.84 -0.38 -0.99 114.94 124.22 1r27 s ASN 963 Ca 0.00 -1.06 0.19 0.00 0.21 0.00 0.00 52.86 52.19 1r27 s ASN 963 Cb 0.00 -0.63 1.37 0.00 -0.55 0.00 0.00 41.25 41.44 1r27 s ASN 963 CO 0.00 -0.35 2.16 1.23 -2.79 0.00 0.00 177.10 177.36 1r27 h GLY 964 N 8.23 0.00 1.21 1.21 0.00 -0.97 -1.39 103.07 111.35 1r27 h GLY 964 Ca -0.16 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 1r27 h GLY 964 CO 0.38 0.00 0.01 -1.61 0.00 0.00 0.00 176.54 175.32 1r27 h GLN 965 N 0.00 0.96 -0.01 4.80 4.15 -1.85 -2.31 115.11 120.85 1r27 h GLN 965 Ca 0.01 -0.28 -0.22 0.00 0.77 0.00 0.00 58.65 58.93 1r27 h GLN 965 Cb 0.03 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1r27 h GLN 965 CO -0.00 0.94 -0.91 0.28 -1.93 0.00 0.00 178.83 177.21 1r27 h VAL 966 N 0.88 1.40 -0.70 2.39 2.07 -1.68 -3.17 116.25 117.44 1r27 h VAL 966 Ca 0.16 -2.40 0.06 0.00 0.82 0.00 0.00 66.70 65.34 1r27 h VAL 966 Cb 0.51 2.37 -0.05 0.00 -1.52 0.00 0.00 31.29 32.60 1r27 h VAL 966 CO 0.02 0.72 0.41 0.00 0.02 0.00 0.00 177.57 178.74 1r27 h ALA 967 N 0.76 0.95 -0.49 1.67 0.00 -0.95 0.38 119.26 121.58 1r27 h ALA 967 Ca -0.07 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1r27 h ALA 967 Cb 1.54 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1r27 h ALA 967 CO 0.16 0.11 0.05 0.28 0.00 0.00 0.00 179.25 179.85 1r27 h VAL 968 N 0.76 1.25 -0.65 0.00 2.07 -1.48 -0.97 116.25 117.23 1r27 h VAL 968 Ca 0.31 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 1r27 h VAL 968 Cb 0.16 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1r27 h VAL 968 CO -0.17 0.34 0.21 0.11 0.02 0.00 0.00 177.57 178.08 1r27 h LYS 969 N 0.70 0.98 0.05 1.57 1.57 -1.40 -0.52 116.57 119.51 1r27 h LYS 969 Ca 0.15 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1r27 h LYS 969 Cb 0.44 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1r27 h LYS 969 CO 0.01 0.84 -0.02 0.00 -0.57 0.00 0.00 179.45 179.71 1r27 h ALA 970 N 1.27 -0.06 -0.14 3.86 0.00 -0.71 -1.56 119.26 121.92 1r27 h ALA 970 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1r27 h ALA 970 Cb 0.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1r27 h ALA 970 CO -0.01 -0.41 0.04 -1.49 0.00 0.00 0.00 179.25 177.38 1r27 h TRP 971 N -0.31 0.18 -0.34 0.00 4.06 -1.00 -1.95 115.95 116.59 1r27 h TRP 971 Ca -0.01 -0.00 -0.16 0.00 2.06 0.00 0.00 58.89 60.79 1r27 h TRP 971 Cb 0.28 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 1r27 h TRP 971 CO 0.01 0.17 -0.41 0.00 -3.56 0.00 0.00 178.44 174.65 1r27 h ALA 972 N 1.86 0.63 -0.75 1.49 0.00 -0.84 -1.32 119.26 120.33 1r27 h ALA 972 Ca 0.05 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 1r27 h ALA 972 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1r27 h ALA 972 CO -0.00 0.67 0.27 0.00 0.00 0.00 0.00 179.25 180.19 1r27 h ALA 973 N 0.85 1.07 -0.32 0.00 0.00 -0.56 -2.49 119.26 117.81 1r27 h ALA 973 Ca 0.05 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 1r27 h ALA 973 Cb 0.98 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1r27 h ALA 973 CO 0.09 0.65 -0.29 1.25 0.00 0.00 0.00 179.25 180.95 1r27 h LEU 974 N 1.10 0.70 -2.42 0.00 5.85 -1.24 -2.79 115.31 116.51 1r27 h LEU 974 Ca 0.25 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.71 1r27 h LEU 974 Cb 0.25 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.08 1r27 h LEU 974 CO -0.02 0.96 0.06 0.28 -0.34 0.00 0.00 178.44 179.38 1r27 h SER 975 N 0.58 0.00 -0.52 1.25 0.02 -0.78 -1.00 113.55 113.10 1r27 h SER 975 Ca 0.07 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.92 1r27 h SER 975 Cb 0.80 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 1r27 h SER 975 CO 0.07 0.00 -0.08 -0.33 -1.14 0.00 0.00 176.83 175.34 1r27 h GLU 976 N 0.00 0.98 0.18 3.45 4.39 -1.35 0.71 114.58 122.94 1r27 h GLU 976 Ca 0.02 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.36 1r27 h GLU 976 Cb 0.15 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1r27 h GLU 976 CO -0.00 1.03 -0.09 0.74 -1.16 0.00 0.00 179.01 179.53 1r27 h PHE 977 N 0.85 -0.23 0.00 4.33 0.04 -1.30 -2.75 116.94 117.88 1r27 h PHE 977 Ca 0.14 -0.01 -0.06 0.00 2.80 0.00 0.00 57.97 60.84 1r27 h PHE 977 Cb 0.64 0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1r27 h PHE 977 CO 0.05 0.12 -0.29 1.79 -0.60 0.00 0.00 178.31 179.37 1r27 h THR 978 N -0.61 0.56 0.00 -1.55 1.35 -1.47 -1.99 112.91 109.21 1r27 h THR 978 Ca -0.03 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 1r27 h THR 978 Cb 0.45 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1r27 h THR 978 CO 0.04 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 1r27 n GLY 979 N 0.77 0.58 3.36 5.82 0.00 0.24 -4.34 105.19 111.63 1r27 n GLY 979 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 1r27 n GLY 979 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r27 s ARG 980 N -0.24 2.03 -0.10 1.61 0.52 -1.23 -5.02 118.95 116.52 1r27 s ARG 980 Ca 0.00 -0.98 -0.30 0.00 -0.52 0.00 0.00 55.73 53.93 1r27 s ARG 980 Cb 0.00 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.37 1r27 s ARG 980 CO 0.00 0.55 1.19 0.34 0.02 0.00 0.00 175.30 177.40 1r27 s ASP 981 N -0.98 7.04 0.00 0.23 -1.08 -1.26 -4.43 116.67 116.20 1r27 s ASP 981 Ca 0.11 1.73 0.03 0.00 -0.52 0.00 0.00 52.55 53.91 1r27 s ASP 981 Cb -0.10 -2.55 -0.00 0.00 -1.46 0.00 0.00 42.92 38.81 1r27 s ASP 981 CO 0.01 -0.63 0.39 1.41 0.52 0.00 0.00 175.17 176.88 1r27 n HIS 982 N 5.62 0.00 0.33 -5.34 8.25 -1.26 -4.67 115.22 118.15 1r27 n HIS 982 Ca 0.12 0.00 0.21 0.00 -0.26 0.00 0.00 57.72 57.79 1r27 n HIS 982 Cb 0.46 0.00 1.13 0.00 1.12 0.00 0.00 29.99 32.70 1r27 n HIS 982 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1r27 h THR 983 N 0.37 0.09 0.00 1.59 1.35 -1.89 -1.38 112.91 113.05 1r27 h THR 983 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1r27 h THR 983 Cb 0.11 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1r27 h THR 983 CO 0.00 0.00 0.00 1.12 -0.25 0.00 0.00 175.52 176.39 1r27 h HIS 984 N 0.00 0.00 0.00 4.73 2.07 -1.98 -0.41 115.15 119.56 1r27 h HIS 984 Ca -0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 1r27 h HIS 984 Cb 0.05 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.02 1r27 h HIS 984 CO 0.00 0.00 -0.03 -0.07 -3.07 0.00 0.00 177.93 174.76 1r27 h LEU 985 N 0.00 0.00 -0.18 6.12 3.38 -1.62 -3.33 115.31 119.68 1r27 h LEU 985 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r27 h LEU 985 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1r27 h LEU 985 CO 0.00 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1r27 n ALA 986 N -2.11 1.25 -0.31 1.53 0.00 -0.62 -4.66 120.51 115.59 1r27 n ALA 986 Ca 0.01 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.43 1r27 n ALA 986 Cb 0.38 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.10 1r27 n ALA 986 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1r27 h LEU 987 N 0.00 0.85 0.00 0.00 3.38 -1.23 0.15 115.31 118.45 1r27 h LEU 987 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1r27 h LEU 987 Cb 0.06 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1r27 h LEU 987 CO 0.00 0.49 0.00 0.59 0.09 0.00 0.00 178.44 179.61 1r27 n ASN 988 N -4.54 0.00 0.00 -0.43 3.02 -1.26 -2.46 115.26 109.59 1r27 n ASN 988 Ca 0.16 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.61 1r27 n ASN 988 Cb 0.31 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1r27 n ASN 988 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1r27 n LYS 989 N -1.26 2.24 -1.08 3.52 5.02 -0.09 -5.01 118.16 121.50 1r27 n LYS 989 Ca 0.11 -1.29 -0.32 0.00 -2.02 0.00 0.00 58.31 54.79 1r27 n LYS 989 Cb 0.17 -0.97 0.12 0.00 -0.02 0.00 0.00 35.03 34.34 1r27 n LYS 989 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1r27 s GLU 990 N -0.80 1.72 0.00 1.97 2.12 -0.44 -1.95 118.70 121.32 1r27 s GLU 990 Ca 0.00 1.47 0.00 0.00 0.36 0.00 0.00 54.97 56.80 1r27 s GLU 990 Cb 0.00 -1.81 0.00 0.00 0.26 0.00 0.00 34.13 32.58 1r27 s GLU 990 CO 0.00 -2.10 0.00 -0.25 -0.54 0.00 0.00 175.26 172.37 1r27 n ASP 991 N -3.60 0.00 -4.72 -1.70 9.92 -1.26 -4.93 116.55 110.26 1r27 n ASP 991 Ca 0.11 0.00 -0.41 0.00 -0.53 0.00 0.00 54.79 53.96 1r27 n ASP 991 Cb 0.52 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.96 1r27 n ASP 991 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1r27 s GLU 992 N -0.21 4.60 -0.15 -1.24 2.02 -0.82 -4.93 118.70 117.96 1r27 s GLU 992 Ca 0.00 1.37 -0.04 0.00 0.02 0.00 0.00 54.97 56.31 1r27 s GLU 992 Cb 0.00 -3.42 0.05 0.00 0.10 0.00 0.00 34.13 30.86 1r27 s GLU 992 CO 0.00 0.08 0.07 0.15 0.02 0.00 0.00 175.26 175.58 1r27 s LYS 993 N 0.54 0.17 -0.02 1.61 1.02 -1.26 -0.49 119.74 121.32 1r27 s LYS 993 Ca 0.48 -0.08 -0.30 0.00 0.02 0.00 0.00 55.97 56.09 1r27 s LYS 993 Cb -0.22 -1.69 -0.03 0.00 -0.52 0.00 0.00 37.83 35.38 1r27 s LYS 993 CO 0.28 -0.61 1.09 0.42 -0.92 0.00 0.00 175.35 175.60 1r27 s ILE 994 N 2.09 4.52 0.06 2.17 1.01 -0.16 -5.03 121.20 125.85 1r27 s ILE 994 Ca 0.02 1.81 0.05 0.00 0.00 0.00 0.00 60.65 62.53 1r27 s ILE 994 Cb -0.16 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1r27 s ILE 994 CO -0.08 0.08 -0.06 -0.13 0.00 0.00 0.00 174.94 174.75 1r27 s ARG 995 N 1.50 2.42 0.19 2.79 1.81 -1.26 -4.71 118.95 121.70 1r27 s ARG 995 Ca 0.54 -0.85 -0.11 0.00 -1.72 0.00 0.00 55.73 53.59 1r27 s ARG 995 Cb -0.23 -2.46 0.21 0.00 -0.45 0.00 0.00 34.95 32.02 1r27 s ARG 995 CO 0.25 0.56 1.77 0.35 -0.68 0.00 0.00 175.30 177.54 1r27 h PHE 996 N 3.91 0.47 0.00 -0.53 3.57 -1.95 -1.96 116.94 120.45 1r27 h PHE 996 Ca -0.48 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 1r27 h PHE 996 Cb 1.17 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1r27 h PHE 996 CO 0.59 0.19 -0.17 0.00 -2.23 0.00 0.00 178.31 176.69 1r27 h ARG 997 N 0.48 0.00 -0.10 1.11 3.08 -2.00 -2.81 114.38 114.15 1r27 h ARG 997 Ca 0.27 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.09 1r27 h ARG 997 Cb 0.24 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.30 1r27 h ARG 997 CO -0.22 0.17 -0.83 -0.44 -1.07 0.00 0.00 179.97 177.58 1r27 h ASP 998 N 0.00 0.80 0.99 7.04 3.32 -1.74 -3.05 116.42 123.79 1r27 h ASP 998 Ca -0.00 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.49 1r27 h ASP 998 Cb 0.48 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1r27 h ASP 998 CO 0.02 1.34 0.00 0.16 -1.72 0.00 0.00 179.24 179.04 1r27 h ILE 999 N 0.43 0.00 -0.03 0.35 3.07 -1.23 -0.63 117.51 119.47 1r27 h ILE 999 Ca -0.06 -0.45 -0.14 0.00 1.55 0.00 0.00 64.86 65.76 1r27 h ILE 999 Cb 1.45 1.36 -0.01 0.00 -0.27 0.00 0.00 36.82 39.34 1r27 h ILE 999 CO 0.16 0.00 -0.64 1.56 -1.05 0.00 0.00 178.15 178.18 1r27 h GLN 1000N 0.00 0.13 0.02 0.16 4.20 -1.41 -3.19 115.11 115.03 1r27 h GLN 1000Ca 0.00 -0.10 -0.18 0.00 0.06 0.00 0.00 58.65 58.43 1r27 h GLN 1000Cb 0.50 0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.31 1r27 h GLN 1000CO 0.00 0.72 -0.72 0.00 -0.67 0.00 0.00 178.83 178.17 1r27 h ALA 1001N 1.25 0.06 -1.96 3.87 0.00 -1.16 -3.46 119.26 117.85 1r27 h ALA 1001Ca -0.01 -0.61 0.01 0.00 0.00 0.00 0.00 54.91 54.30 1r27 h ALA 1001Cb 1.14 0.05 -0.21 0.00 0.00 0.00 0.00 17.79 18.77 1r27 h ALA 1001CO 0.09 0.41 0.08 -1.14 0.00 0.00 0.00 179.25 178.70 1r27 s GLN 1002N -3.11 0.72 0.34 0.00 0.74 -0.37 -5.12 119.66 112.87 1r27 s GLN 1002Ca -0.13 1.12 -0.28 0.00 0.05 0.00 0.00 55.36 56.12 1r27 s GLN 1002Cb 0.04 0.22 -0.12 0.00 1.10 0.00 0.00 33.01 34.24 1r27 s GLN 1002CO 0.84 -0.13 1.32 -2.30 -0.55 0.00 0.00 175.29 174.47 1r27 n PRO 1003N 3.77 2.19 -4.41 1.67 -0.02 -1.24 -4.02 135.00 132.94 1r27 n PRO 1003Ca -0.18 0.77 -0.30 0.00 -2.02 0.00 0.00 63.50 61.77 1r27 n PRO 1003Cb 0.58 -2.37 -0.11 0.00 -0.02 0.00 0.00 33.50 31.58 1r27 n PRO 1003CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1r27 s ARG 1004N -1.86 2.09 0.29 -0.52 1.81 -1.15 -4.49 118.95 115.11 1r27 s ARG 1004Ca 0.55 -1.00 -0.28 0.00 -1.72 0.00 0.00 55.73 53.28 1r27 s ARG 1004Cb -0.56 -2.25 -0.09 0.00 -0.45 0.00 0.00 34.95 31.59 1r27 s ARG 1004CO 0.62 0.52 0.96 0.15 -0.68 0.00 0.00 175.30 176.87 1r27 s LYS 1005N -1.84 4.70 0.98 3.54 1.02 -1.26 -1.36 119.74 125.52 1r27 s LYS 1005Ca 0.18 1.44 -0.16 0.00 0.02 0.00 0.00 55.97 57.45 1r27 s LYS 1005Cb -0.11 -3.03 0.19 0.00 -0.52 0.00 0.00 37.83 34.37 1r27 s LYS 1005CO 0.09 0.37 1.24 0.96 -0.92 0.00 0.00 175.35 177.10 1r27 s ILE 1006N -1.40 1.92 0.01 2.17 -5.25 -0.48 -4.94 121.20 113.23 1r27 s ILE 1006Ca 0.46 0.00 -0.01 0.00 -0.99 0.00 0.00 60.65 60.11 1r27 s ILE 1006Cb -0.23 -2.87 -0.04 0.00 2.95 0.00 0.00 42.46 42.27 1r27 s ILE 1006CO 0.29 0.00 0.12 -0.63 -1.79 0.00 0.00 174.94 172.92 1r27 s ILE 1007N -3.61 4.95 0.13 8.37 1.01 0.93 -4.88 121.20 128.09 1r27 s ILE 1007Ca 0.71 -0.38 -0.32 0.00 0.00 0.00 0.00 60.65 60.66 1r27 s ILE 1007Cb -0.07 -3.30 -0.11 0.00 0.01 0.00 0.00 42.46 38.99 1r27 s ILE 1007CO 0.53 0.30 1.82 -1.20 0.00 0.00 0.00 174.94 176.39 1r27 n SER 1008N 0.97 3.98 -4.00 3.58 7.64 -1.26 -4.43 113.62 120.10 1r27 n SER 1008Ca -0.11 1.00 -0.11 0.00 1.01 0.00 0.00 58.87 60.66 1r27 n SER 1008Cb 0.52 -1.54 -0.11 0.00 -1.01 0.00 0.00 64.21 62.07 1r27 n SER 1008CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1r27 s SER 1009N 2.54 0.44 0.03 6.43 0.15 -1.26 -4.68 113.70 117.34 1r27 s SER 1009Ca 0.81 -0.47 0.04 0.00 0.70 0.00 0.00 55.95 57.03 1r27 s SER 1009Cb -0.50 0.07 0.18 0.00 -1.71 0.00 0.00 66.02 64.05 1r27 s SER 1009CO 0.37 -0.24 1.11 -0.81 1.20 0.00 0.00 173.24 174.88 1r27 n PRO 1010N 1.70 0.02 0.26 5.44 -0.04 -1.26 -1.45 135.00 139.66 1r27 n PRO 1010Ca -0.22 0.49 0.15 0.00 -0.04 0.00 0.00 63.50 63.88 1r27 n PRO 1010Cb 0.55 -1.55 0.50 0.00 -0.04 0.00 0.00 33.50 32.97 1r27 n PRO 1010CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1r27 h THR 1011N 0.00 0.00 -3.40 0.52 2.02 -1.96 -3.45 112.91 106.64 1r27 h THR 1011Ca 0.00 -0.69 -0.43 0.00 0.77 0.00 0.00 66.41 66.06 1r27 h THR 1011Cb 0.03 1.69 -0.17 0.00 -1.74 0.00 0.00 68.15 67.95 1r27 h THR 1011CO 0.00 0.00 -0.75 0.26 0.37 0.00 0.00 175.52 175.40 1r27 s TRP 1012N -3.51 1.50 -2.73 3.16 0.52 -0.53 -5.06 118.94 112.29 1r27 s TRP 1012Ca 0.03 -0.57 0.25 0.00 0.02 0.00 0.00 56.10 55.84 1r27 s TRP 1012Cb 0.08 -0.76 0.47 0.00 -1.15 0.00 0.00 33.47 32.10 1r27 s TRP 1012CO 0.59 0.20 1.41 -1.13 0.02 0.00 0.00 176.95 178.04 1r27 n SER 1013N 0.27 2.40 -4.94 2.95 3.41 -1.26 -4.74 113.62 111.70 1r27 n SER 1013Ca -0.13 -1.77 -0.20 0.00 -0.26 0.00 0.00 58.87 56.50 1r27 n SER 1013Cb 0.58 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.55 1r27 n SER 1013CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1r27 s GLY 1014N -2.05 1.53 0.16 5.00 0.00 -1.25 -1.62 107.32 109.09 1r27 s GLY 1014Ca 0.30 -1.45 0.10 0.00 0.00 0.00 0.00 44.72 43.67 1r27 s GLY 1014CO 0.34 -1.40 -0.17 1.08 0.00 0.00 0.00 173.10 172.94 1r27 s LEU 1015N -4.05 2.70 -0.63 0.66 1.43 -1.26 -4.72 118.68 112.80 1r27 s LEU 1015Ca 0.40 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 1r27 s LEU 1015Cb -0.08 -1.46 0.16 0.00 0.03 0.00 0.00 46.19 44.84 1r27 s LEU 1015CO 0.29 0.14 0.53 -1.61 0.23 0.00 0.00 176.35 175.93 1r27 s GLU 1016N -2.51 2.96 0.11 1.70 0.41 -1.26 -3.52 118.70 116.59 1r27 s GLU 1016Ca 0.21 -2.13 0.05 0.00 -0.41 0.00 0.00 54.97 52.68 1r27 s GLU 1016Cb -0.09 -4.12 -0.04 0.00 -1.78 0.00 0.00 34.13 28.10 1r27 s GLU 1016CO 0.11 -1.25 -0.12 0.34 -0.49 0.00 0.00 175.26 173.86 1r27 s ASP 1017N 2.29 1.68 0.31 -0.19 2.15 -1.24 -4.64 116.67 117.04 1r27 s ASP 1017Ca 0.11 -0.81 0.11 0.00 0.43 0.00 0.00 52.55 52.39 1r27 s ASP 1017Cb -0.20 -0.02 0.50 0.00 -0.30 0.00 0.00 42.92 42.89 1r27 s ASP 1017CO -0.03 -0.21 1.70 -0.08 -0.17 0.00 0.00 175.17 176.37 1r27 h GLU 1018N 3.54 0.04 0.00 4.34 4.81 -2.00 -3.33 114.58 121.98 1r27 h GLU 1018Ca -0.38 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1r27 h GLU 1018Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1r27 h GLU 1018CO 0.52 0.53 -1.57 0.72 -0.73 0.00 0.00 179.01 178.48 1r27 n HIS 1019N -3.94 0.00 -4.52 0.92 8.25 -1.26 -4.88 115.22 109.79 1r27 n HIS 1019Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.23 1r27 n HIS 1019Cb 0.52 -0.31 -0.16 0.00 1.12 0.00 0.00 29.99 31.17 1r27 n HIS 1019CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1r27 s VAL 1020N -3.02 0.96 1.04 1.59 0.11 -1.25 -5.14 120.40 114.68 1r27 s VAL 1020Ca -0.04 -0.47 -0.14 0.00 -2.93 0.00 0.00 61.98 58.40 1r27 s VAL 1020Cb 0.11 -0.84 0.21 0.00 -1.53 0.00 0.00 36.38 34.33 1r27 s VAL 1020CO 0.67 0.29 1.11 -0.44 -3.33 0.00 0.00 175.10 173.40 1r27 s SER 1021N 0.08 2.34 -0.27 3.54 0.01 -1.26 -3.66 113.70 114.48 1r27 s SER 1021Ca -0.02 1.00 -0.29 0.00 1.31 0.00 0.00 55.95 57.95 1r27 s SER 1021Cb -0.09 -1.54 0.00 0.00 0.21 0.00 0.00 66.02 64.60 1r27 s SER 1021CO 0.01 -3.29 1.24 -0.47 0.41 0.00 0.00 173.24 171.15 1r27 s TYR 1022N -3.05 2.83 -0.08 2.43 5.04 -1.23 -4.57 117.35 118.72 1r27 s TYR 1022Ca 0.67 0.98 -0.01 0.00 -2.44 0.00 0.00 57.07 56.27 1r27 s TYR 1022Cb -0.16 -3.75 0.03 0.00 0.35 0.00 0.00 41.96 38.43 1r27 s TYR 1022CO 0.57 -1.51 -0.02 1.21 -1.34 0.00 0.00 175.55 174.46 1r27 s ASN 1023N 2.34 1.68 0.42 4.32 3.84 -1.26 -1.76 114.94 124.52 1r27 s ASN 1023Ca 0.54 -0.15 -0.26 0.00 0.21 0.00 0.00 52.86 53.20 1r27 s ASN 1023Cb -0.17 -0.55 -0.08 0.00 -0.55 0.00 0.00 41.25 39.90 1r27 s ASN 1023CO 0.19 -0.16 1.34 0.00 -2.79 0.00 0.00 177.10 175.68 1r27 s ALA 1024N 1.78 3.24 0.00 1.71 0.00 -1.26 -2.51 121.76 124.72 1r27 s ALA 1024Ca 0.03 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1r27 s ALA 1024Cb -0.13 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1r27 s ALA 1024CO -0.05 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.18 1r27 n GLY 1025N 0.64 0.87 0.23 0.00 0.00 -1.22 -3.01 105.19 102.69 1r27 n GLY 1025Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1r27 n GLY 1025CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1r27 h TYR 1026N 0.00 0.75 -0.01 1.61 3.20 -1.10 -2.26 116.97 119.16 1r27 h TYR 1026Ca 0.00 -0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.69 1r27 h TYR 1026Cb 0.00 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.02 1r27 h TYR 1026CO 0.00 0.60 -0.61 1.79 -1.64 0.00 0.00 178.16 178.30 1r27 h THR 1027N 0.68 1.43 -0.10 1.81 1.35 -1.59 0.14 112.91 116.64 1r27 h THR 1027Ca 0.17 -2.07 -0.01 0.00 -0.55 0.00 0.00 66.41 63.96 1r27 h THR 1027Cb 0.15 2.10 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1r27 h THR 1027CO -0.02 0.60 0.03 0.78 -0.25 0.00 0.00 175.52 176.66 1r27 h ASN 1028N 0.04 0.13 -0.20 5.36 2.35 -1.69 0.43 115.58 122.00 1r27 h ASN 1028Ca -0.01 -0.18 -0.17 0.00 -0.55 0.00 0.00 56.30 55.40 1r27 h ASN 1028Cb 1.09 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1r27 h ASN 1028CO 0.08 0.28 -0.52 0.58 -1.65 0.00 0.00 177.43 176.20 1r27 h VAL 1029N -0.02 1.31 0.00 2.81 2.07 -1.32 -2.24 116.25 118.87 1r27 h VAL 1029Ca 0.03 -1.75 -0.16 0.00 0.82 0.00 0.00 66.70 65.64 1r27 h VAL 1029Cb 0.19 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1r27 h VAL 1029CO -0.00 0.55 -1.83 1.41 0.02 0.00 0.00 177.57 177.72 1r27 n HIS 1030N -4.13 0.42 0.75 1.57 8.25 0.49 -4.24 115.22 118.34 1r27 n HIS 1030Ca -0.06 0.14 0.08 0.00 -0.26 0.00 0.00 57.72 57.62 1r27 n HIS 1030Cb 0.61 -0.88 -0.00 0.00 1.12 0.00 0.00 29.99 30.83 1r27 n HIS 1030CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1r27 n GLU 1031N -2.65 1.62 -3.02 -0.41 -0.58 0.15 -4.99 120.64 110.76 1r27 n GLU 1031Ca -0.14 -0.83 -0.22 0.00 -0.42 0.00 0.00 57.16 55.56 1r27 n GLU 1031Cb 0.83 -1.30 0.04 0.00 -0.57 0.00 0.00 31.44 30.44 1r27 n GLU 1031CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1r27 n LEU 1032N -0.11 -2.69 -4.72 -4.62 4.77 -0.85 -4.91 117.00 103.86 1r27 n LEU 1032Ca 0.07 -0.29 -0.40 0.00 -0.03 0.00 0.00 56.01 55.36 1r27 n LEU 1032Cb 0.35 -2.89 -0.05 0.00 -2.33 0.00 0.00 43.42 38.51 1r27 n LEU 1032CO 0.21 0.25 0.40 -0.63 -1.33 0.00 0.00 177.39 176.29 1r27 s ILE 1033N -3.17 5.01 0.66 -0.08 1.01 -1.18 -0.25 121.20 123.21 1r27 s ILE 1033Ca 0.31 1.47 -0.15 0.00 0.00 0.00 0.00 60.65 62.27 1r27 s ILE 1033Cb -0.13 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.29 1r27 s ILE 1033CO 0.38 0.27 1.13 -2.84 0.00 0.00 0.00 174.94 173.88 1r27 s PRO 1034N 0.68 2.71 0.44 2.79 0.02 -1.26 -4.23 135.00 136.16 1r27 s PRO 1034Ca 0.38 1.49 -0.21 0.00 0.02 0.00 0.00 61.00 62.67 1r27 s PRO 1034Cb -0.18 -1.93 -0.10 0.00 0.02 0.00 0.00 34.50 32.31 1r27 s PRO 1034CO 0.19 -1.34 0.98 -1.58 -0.33 0.00 0.00 177.00 174.92 1r27 s TRP 1035N -2.21 3.23 -1.34 6.54 0.51 -0.34 -4.91 118.94 120.42 1r27 s TRP 1035Ca 0.69 1.61 -0.09 0.00 -2.12 0.00 0.00 56.10 56.19 1r27 s TRP 1035Cb -0.23 -2.93 -0.11 0.00 -0.81 0.00 0.00 33.47 29.39 1r27 s TRP 1035CO 0.41 -0.34 3.02 0.54 -0.51 0.00 0.00 176.95 180.07 1r27 n ARG 1036N -0.65 3.36 -4.47 4.98 1.74 -1.14 -4.19 116.66 116.29 1r27 n ARG 1036Ca 0.07 -1.97 -0.26 0.00 -0.77 0.00 0.00 57.85 54.91 1r27 n ARG 1036Cb 0.53 -2.66 -0.10 0.00 -1.02 0.00 0.00 32.46 29.22 1r27 n ARG 1036CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1r27 s THR 1037N 2.06 2.21 0.21 0.55 -4.23 -1.26 -3.85 115.64 111.32 1r27 s THR 1037Ca 0.68 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 1r27 s THR 1037Cb 0.20 -2.90 0.22 0.00 1.34 0.00 0.00 72.50 71.36 1r27 s THR 1037CO -0.05 -0.07 1.64 0.25 -0.54 0.00 0.00 174.62 175.85 1r27 h LEU 1038N 1.76 -0.42 0.00 4.79 5.85 -1.91 -1.69 115.31 123.71 1r27 h LEU 1038Ca -0.43 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1r27 h LEU 1038Cb 1.25 0.33 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1r27 h LEU 1038CO 0.75 -0.16 -0.51 0.77 -0.34 0.00 0.00 178.44 178.94 1r27 h SER 1039N 0.06 0.00 0.00 1.25 4.64 -1.92 0.68 113.55 118.26 1r27 h SER 1039Ca 0.32 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1r27 h SER 1039Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1r27 h SER 1039CO -0.59 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.00 1r27 n GLY 1040N 1.19 1.42 3.90 -0.77 0.00 -0.63 -3.15 105.19 107.14 1r27 n GLY 1040Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1r27 n GLY 1040CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r27 s ARG 1041N -0.52 2.23 -0.26 1.61 3.00 -1.26 -1.20 118.95 122.56 1r27 s ARG 1041Ca 0.00 -2.12 -0.29 0.00 0.00 0.00 0.00 55.73 53.33 1r27 s ARG 1041Cb 0.00 -2.02 -0.02 0.00 0.00 0.00 0.00 34.95 32.91 1r27 s ARG 1041CO 0.00 -0.66 1.66 -0.65 0.00 0.00 0.00 175.30 175.65 1r27 s GLN 1042N -4.28 3.66 -0.84 3.54 -0.21 -0.33 -4.73 119.66 116.47 1r27 s GLN 1042Ca 0.29 1.57 -0.25 0.00 0.02 0.00 0.00 55.36 56.98 1r27 s GLN 1042Cb -0.02 -4.08 0.02 0.00 1.00 0.00 0.00 33.01 29.92 1r27 s GLN 1042CO 0.18 -1.46 1.51 -1.14 -2.12 0.00 0.00 175.29 172.26 1r27 s GLN 1043N 4.97 3.16 0.16 2.91 2.00 -0.38 -2.61 119.66 129.87 1r27 s GLN 1043Ca 0.73 -0.42 0.08 0.00 -2.00 0.00 0.00 55.36 53.76 1r27 s GLN 1043Cb -0.24 -4.73 -0.05 0.00 0.80 0.00 0.00 33.01 28.79 1r27 s GLN 1043CO 0.31 -2.42 1.37 -0.07 -0.50 0.00 0.00 175.29 173.98 1r27 h LEU 1044N 14.11 0.00 -8.50 3.68 4.07 -1.90 -3.40 115.31 123.37 1r27 h LEU 1044Ca -0.06 0.00 -0.66 0.00 0.08 0.00 0.00 57.88 57.24 1r27 h LEU 1044Cb 1.05 0.00 -0.25 0.00 1.08 0.00 0.00 40.66 42.54 1r27 h LEU 1044CO 1.31 0.89 -0.66 -0.47 -1.08 0.00 0.00 178.44 178.44 1r27 s TYR 1045N -2.95 3.06 -0.43 1.13 5.04 -1.26 -4.66 117.35 117.28 1r27 s TYR 1045Ca 0.00 -0.73 -0.17 0.00 -2.44 0.00 0.00 57.07 53.74 1r27 s TYR 1045Cb 0.11 -2.20 0.03 0.00 0.35 0.00 0.00 41.96 40.25 1r27 s TYR 1045CO 0.80 -0.47 0.42 -0.65 -1.34 0.00 0.00 175.55 174.31 1r27 s GLN 1046N 1.54 3.05 0.00 4.97 -1.52 -0.13 -4.95 119.66 122.63 1r27 s GLN 1046Ca 0.05 -0.91 0.22 0.00 -1.95 0.00 0.00 55.36 52.77 1r27 s GLN 1046Cb -0.15 -4.01 0.62 0.00 -0.22 0.00 0.00 33.01 29.25 1r27 s GLN 1046CO 0.01 -0.89 1.52 -0.40 -0.25 0.00 0.00 175.29 175.28 1r27 n ASP 1047N 5.50 3.83 -4.77 5.90 5.75 -1.26 -4.15 116.55 127.36 1r27 n ASP 1047Ca -0.09 -2.00 -0.40 0.00 -0.01 0.00 0.00 54.79 52.30 1r27 n ASP 1047Cb 0.47 -0.46 -0.01 0.00 -1.03 0.00 0.00 41.12 40.09 1r27 n ASP 1047CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1r27 s HIS 1048N -1.07 2.85 0.23 2.11 2.46 -1.26 -4.56 115.29 116.05 1r27 s HIS 1048Ca 0.48 1.41 -0.13 0.00 0.47 0.00 0.00 55.06 57.29 1r27 s HIS 1048Cb 0.25 -3.67 0.29 0.00 -0.13 0.00 0.00 32.58 29.32 1r27 s HIS 1048CO 0.33 -2.06 1.60 0.37 -2.47 0.00 0.00 174.74 172.51 1r27 h GLN 1049N 2.77 -0.02 -0.58 2.88 5.75 -1.93 -0.05 115.11 123.92 1r27 h GLN 1049Ca -0.50 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 57.93 1r27 h GLN 1049Cb 1.24 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.77 1r27 h GLN 1049CO 0.63 -0.01 0.07 -1.49 -2.65 0.00 0.00 178.83 175.37 1r27 h TRP 1050N -0.02 1.02 -0.67 3.99 4.06 -1.98 -0.12 115.95 122.23 1r27 h TRP 1050Ca 0.35 -0.14 -0.07 0.00 2.06 0.00 0.00 58.89 61.09 1r27 h TRP 1050Cb 0.55 -0.28 -0.03 0.00 -1.00 0.00 0.00 29.16 28.41 1r27 h TRP 1050CO -0.61 0.88 0.14 0.52 -3.56 0.00 0.00 178.44 175.81 1r27 h MET 1051N 0.90 1.08 -0.06 0.49 2.86 -1.41 -0.88 114.93 117.91 1r27 h MET 1051Ca 0.18 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1r27 h MET 1051Cb 0.44 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1r27 h MET 1051CO 0.01 0.96 -0.02 0.00 1.06 0.00 0.00 176.91 178.93 1r27 h ARG 1052N 1.02 0.11 0.00 1.72 3.08 -0.78 0.43 114.38 119.95 1r27 h ARG 1052Ca 0.21 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1r27 h ARG 1052Cb 0.38 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1r27 h ARG 1052CO 0.01 0.47 0.00 -0.44 -1.07 0.00 0.00 179.97 178.93 1r27 h ASP 1053N -0.25 0.00 -0.55 7.04 3.32 -0.93 -2.19 116.42 122.86 1r27 h ASP 1053Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1r27 h ASP 1053Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1r27 h ASP 1053CO 0.01 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.02 1r27 n PHE 1054N -3.07 1.44 -1.95 4.55 3.72 -0.34 -0.23 117.46 121.58 1r27 n PHE 1054Ca 0.01 -0.55 -0.15 0.00 -0.05 0.00 0.00 57.45 56.71 1r27 n PHE 1054Cb 0.34 -0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.56 1r27 n PHE 1054CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r27 n GLY 1055N 0.90 0.48 0.66 1.37 0.00 -0.82 -4.43 105.19 103.34 1r27 n GLY 1055Ca 0.23 -0.27 0.05 0.00 0.00 0.00 0.00 46.02 46.03 1r27 n GLY 1055CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r27 n GLU 1056N -2.50 1.77 0.12 1.61 1.02 0.15 -4.61 120.64 118.19 1r27 n GLU 1056Ca -0.17 -3.02 0.02 0.00 -0.02 0.00 0.00 57.16 53.97 1r27 n GLU 1056Cb 0.58 -1.68 0.38 0.00 -0.02 0.00 0.00 31.44 30.71 1r27 n GLU 1056CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1r27 h SER 1057N 0.86 0.22 -4.00 1.62 4.64 -1.68 -3.42 113.55 111.79 1r27 h SER 1057Ca 0.06 -0.05 -0.34 0.00 -0.47 0.00 0.00 61.79 60.99 1r27 h SER 1057Cb 1.24 -0.06 -0.15 0.00 -0.31 0.00 0.00 62.40 63.12 1r27 h SER 1057CO 0.14 0.40 -0.72 -0.76 -0.87 0.00 0.00 176.83 175.01 1r27 s LEU 1058N -8.73 2.50 0.20 5.97 1.43 -1.26 -0.95 118.68 117.84 1r27 s LEU 1058Ca -0.05 -0.96 -0.31 0.00 -1.03 0.00 0.00 54.13 51.77 1r27 s LEU 1058Cb 0.15 -0.38 -0.11 0.00 0.03 0.00 0.00 46.19 45.88 1r27 s LEU 1058CO 0.73 -0.29 1.63 -0.22 0.23 0.00 0.00 176.35 178.43 1r27 s LEU 1059N -2.99 4.37 -0.03 1.79 2.96 -1.26 -5.00 118.68 118.52 1r27 s LEU 1059Ca 0.14 2.77 -0.15 0.00 -0.22 0.00 0.00 54.13 56.67 1r27 s LEU 1059Cb 0.01 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 43.12 1r27 s LEU 1059CO 0.01 -0.89 0.32 0.68 -1.32 0.00 0.00 176.35 175.15 1r27 s VAL 1060N 0.94 0.05 0.14 1.68 -7.23 -1.26 -4.99 120.40 109.73 1r27 s VAL 1060Ca 0.71 -0.39 -0.30 0.00 -1.81 0.00 0.00 61.98 60.19 1r27 s VAL 1060Cb -0.47 -0.60 -0.07 0.00 0.56 0.00 0.00 36.38 35.80 1r27 s VAL 1060CO 0.34 -0.21 1.20 -0.47 -0.31 0.00 0.00 175.10 175.65 1r27 s TYR 1061N -1.07 3.43 -0.11 2.82 5.04 -1.26 -4.86 117.35 121.34 1r27 s TYR 1061Ca -0.11 1.37 -0.01 0.00 -2.44 0.00 0.00 57.07 55.87 1r27 s TYR 1061Cb -0.05 -3.43 0.03 0.00 0.35 0.00 0.00 41.96 38.87 1r27 s TYR 1061CO 0.04 -1.25 -0.01 1.03 -1.34 0.00 0.00 175.55 174.01 1r27 s ARG 1062N 0.26 0.85 0.75 4.97 0.52 -1.26 -4.00 118.95 121.04 1r27 s ARG 1062Ca 0.55 -0.11 -0.13 0.00 -0.52 0.00 0.00 55.73 55.52 1r27 s ARG 1062Cb -0.32 -1.40 0.05 0.00 0.52 0.00 0.00 34.95 33.81 1r27 s ARG 1062CO 0.34 -0.38 1.13 -1.25 0.02 0.00 0.00 175.30 175.16 1r27 s PRO 1063N 1.88 2.20 0.37 3.54 0.04 -1.26 -4.90 135.00 136.87 1r27 s PRO 1063Ca 0.03 1.43 -0.26 0.00 0.04 0.00 0.00 61.00 62.24 1r27 s PRO 1063Cb -0.13 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.41 1r27 s PRO 1063CO -0.07 -1.72 0.99 -2.30 0.04 0.00 0.00 177.00 173.94 1r27 n PRO 1064N -3.12 1.34 -1.99 0.56 -0.02 -1.26 -4.95 135.00 125.55 1r27 n PRO 1064Ca 0.11 0.47 -0.30 0.00 -2.02 0.00 0.00 63.50 61.76 1r27 n PRO 1064Cb 0.52 -1.95 0.02 0.00 -0.02 0.00 0.00 33.50 32.06 1r27 n PRO 1064CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1r27 s ILE 1065N -1.21 4.49 -0.48 4.25 -4.36 -1.26 -4.56 121.20 118.07 1r27 s ILE 1065Ca 0.61 0.70 -0.16 0.00 -0.26 0.00 0.00 60.65 61.54 1r27 s ILE 1065Cb -0.61 -3.79 0.07 0.00 1.25 0.00 0.00 42.46 39.38 1r27 s ILE 1065CO 0.58 -1.00 0.45 -0.62 0.24 0.00 0.00 174.94 174.59 1r27 s ASP 1066N -4.21 6.17 0.00 4.36 -1.08 -1.26 -4.87 116.67 115.78 1r27 s ASP 1066Ca 0.55 -1.20 0.24 0.00 -0.52 0.00 0.00 52.55 51.61 1r27 s ASP 1066Cb -0.11 -2.21 1.11 0.00 -1.46 0.00 0.00 42.92 40.26 1r27 s ASP 1066CO 0.52 -0.70 1.79 0.35 0.52 0.00 0.00 175.17 177.66 1r27 n THR 1067N 5.30 0.29 -3.99 1.71 -2.24 -1.26 -4.83 114.28 109.27 1r27 n THR 1067Ca -0.11 0.07 -0.28 0.00 -2.27 0.00 0.00 64.05 61.47 1r27 n THR 1067Cb 0.44 -0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 67.99 1r27 n THR 1067CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1r27 n ARG 1068N -1.41 -3.52 -0.00 -0.78 1.74 -1.26 -4.80 116.66 106.62 1r27 n ARG 1068Ca 0.08 0.42 0.10 0.00 -0.77 0.00 0.00 57.85 57.68 1r27 n ARG 1068Cb 0.25 -4.75 -0.12 0.00 -1.02 0.00 0.00 32.46 26.82 1r27 n ARG 1068CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1r27 n SER 1069N -2.91 0.88 -0.08 0.55 3.41 -1.26 -4.71 113.62 109.50 1r27 n SER 1069Ca -0.21 -0.89 -0.07 0.00 -0.26 0.00 0.00 58.87 57.45 1r27 n SER 1069Cb 0.64 1.08 -0.02 0.00 -0.26 0.00 0.00 64.21 65.65 1r27 n SER 1069CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1r27 n VAL 1070N -1.54 1.37 -0.12 -3.33 0.31 -1.26 -0.79 118.33 112.97 1r27 n VAL 1070Ca 0.03 0.19 -0.01 0.00 -0.01 0.00 0.00 64.34 64.55 1r27 n VAL 1070Cb 0.33 -2.31 0.01 0.00 -0.91 0.00 0.00 33.84 30.96 1r27 n VAL 1070CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1r27 n LYS 1071N -4.38 -0.08 0.18 5.55 4.81 -1.26 -0.43 118.16 122.55 1r27 n LYS 1071Ca -0.11 0.49 0.14 0.00 -0.87 0.00 0.00 58.31 57.97 1r27 n LYS 1071Cb 0.39 -0.73 0.55 0.00 0.02 0.00 0.00 35.03 35.27 1r27 n LYS 1071CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1r27 h GLU 1072N 0.00 0.00 0.00 1.64 4.39 -1.86 -3.34 114.58 115.41 1r27 h GLU 1072Ca 0.11 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1r27 h GLU 1072Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1r27 h GLU 1072CO -0.32 0.00 -0.44 1.33 -1.16 0.00 0.00 179.01 178.43 1r27 n VAL 1073N -2.55 0.00 -1.82 3.13 0.24 0.43 -4.92 118.33 112.85 1r27 n VAL 1073Ca 0.02 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.34 61.63 1r27 n VAL 1073Cb 0.27 0.77 -0.03 0.00 -1.47 0.00 0.00 33.84 33.38 1r27 n VAL 1073CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1r27 s ILE 1074N -1.42 2.27 0.00 1.34 2.07 -0.89 -2.01 121.20 122.57 1r27 s ILE 1074Ca 0.00 0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.44 1r27 s ILE 1074Cb 0.00 -3.13 0.00 0.00 0.13 0.00 0.00 42.46 39.46 1r27 s ILE 1074CO 0.00 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.66 1r27 n GLY 1075N 3.64 1.48 0.18 1.50 0.00 -1.26 -4.89 105.19 105.84 1r27 n GLY 1075Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1r27 n GLY 1075CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1r27 h GLN 1076N 2.39 0.00 -1.44 1.61 1.08 -1.76 -3.33 115.11 113.66 1r27 h GLN 1076Ca 0.00 0.00 -0.46 0.00 -1.45 0.00 0.00 58.65 56.74 1r27 h GLN 1076Cb 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.02 1r27 h GLN 1076CO 0.00 0.38 -1.04 1.63 -0.95 0.00 0.00 178.83 178.85 1r27 n LYS 1077N -3.39 1.82 -1.60 1.46 5.02 -1.26 -5.11 118.16 115.10 1r27 n LYS 1077Ca 0.01 -3.71 -0.40 0.00 -2.02 0.00 0.00 58.31 52.18 1r27 n LYS 1077Cb 0.57 -1.66 0.02 0.00 -0.02 0.00 0.00 35.03 33.94 1r27 n LYS 1077CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1r27 n SER 1078N -0.10 0.92 -0.12 4.39 2.88 -1.25 -4.90 113.62 115.43 1r27 n SER 1078Ca 0.21 0.95 0.02 0.00 -1.33 0.00 0.00 58.87 58.72 1r27 n SER 1078Cb 0.71 -1.35 0.04 0.00 -0.75 0.00 0.00 64.21 62.87 1r27 n SER 1078CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1r27 n ASN 1079N 0.19 2.22 0.00 -3.46 6.94 -1.26 -4.96 115.26 114.93 1r27 n ASN 1079Ca 0.11 -2.15 0.00 0.00 -0.02 0.00 0.00 54.58 52.52 1r27 n ASN 1079Cb 0.42 -0.10 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 1r27 n ASN 1079CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r27 n GLY 1080N -0.46 2.88 3.90 4.83 0.00 -1.26 -4.88 105.19 110.20 1r27 n GLY 1080Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1r27 n GLY 1080CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r27 s ASN 1081N -1.24 6.49 0.30 1.61 0.01 -1.26 -4.84 114.94 116.01 1r27 s ASN 1081Ca 0.00 0.58 -0.29 0.00 -0.71 0.00 0.00 52.86 52.44 1r27 s ASN 1081Cb 0.00 -2.09 -0.13 0.00 0.41 0.00 0.00 41.25 39.44 1r27 s ASN 1081CO 0.00 0.07 1.30 1.67 -1.51 0.00 0.00 177.10 178.63 1r27 n GLN 1082N 0.15 2.00 -4.40 -0.60 -0.06 -1.26 -4.91 117.38 108.30 1r27 n GLN 1082Ca -0.03 0.71 -0.24 0.00 -2.00 0.00 0.00 57.00 55.44 1r27 n GLN 1082Cb 0.52 -2.29 -0.09 0.00 -4.06 0.00 0.00 30.24 24.32 1r27 n GLN 1082CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 1r27 s GLU 1083N -1.33 1.91 -0.19 3.69 2.02 -1.26 -4.42 118.70 119.12 1r27 s GLU 1083Ca 0.60 -1.63 -0.27 0.00 0.02 0.00 0.00 54.97 53.70 1r27 s GLU 1083Cb -0.61 -1.92 0.07 0.00 0.10 0.00 0.00 34.13 31.76 1r27 s GLU 1083CO 0.58 0.35 0.69 0.21 0.02 0.00 0.00 175.26 177.10 1r27 s LYS 1084N -3.55 0.90 -0.14 1.61 2.20 -1.01 -4.97 119.74 114.79 1r27 s LYS 1084Ca 0.30 0.72 -0.17 0.00 -0.36 0.00 0.00 55.97 56.47 1r27 s LYS 1084Cb -0.06 0.43 -0.04 0.00 -1.51 0.00 0.00 37.83 36.66 1r27 s LYS 1084CO 0.17 -0.18 0.42 0.00 -0.36 0.00 0.00 175.35 175.39 1r27 s ALA 1085N -0.19 3.52 0.08 3.13 0.00 -1.26 -0.21 121.76 126.84 1r27 s ALA 1085Ca -0.04 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1r27 s ALA 1085Cb -0.03 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 1r27 s ALA 1085CO 0.04 -0.02 -0.07 -0.51 0.00 0.00 0.00 175.76 175.20 1r27 s LEU 1086N 0.70 2.45 -0.06 0.00 1.43 0.66 -4.94 118.68 118.91 1r27 s LEU 1086Ca 0.22 -0.89 -0.30 0.00 -1.03 0.00 0.00 54.13 52.13 1r27 s LEU 1086Cb -0.14 -0.08 -0.03 0.00 0.03 0.00 0.00 46.19 45.96 1r27 s LEU 1086CO 0.08 -0.41 1.27 0.21 0.23 0.00 0.00 176.35 177.74 1r27 s ASN 1087N -2.67 6.97 -0.59 2.29 3.04 -0.82 -0.70 114.94 122.46 1r27 s ASN 1087Ca 0.06 1.87 -0.17 0.00 0.04 0.00 0.00 52.86 54.66 1r27 s ASN 1087Cb 0.02 -2.55 0.12 0.00 -1.54 0.00 0.00 41.25 37.30 1r27 s ASN 1087CO -0.04 -0.66 0.61 0.12 -3.04 0.00 0.00 177.10 174.09 1r27 s PHE 1088N 2.57 3.18 0.07 0.43 5.36 -0.12 -0.83 117.98 128.62 1r27 s PHE 1088Ca 0.58 -1.20 -0.03 0.00 -0.96 0.00 0.00 56.93 55.31 1r27 s PHE 1088Cb -0.26 -3.90 -0.05 0.00 -0.34 0.00 0.00 43.02 38.48 1r27 s PHE 1088CO 0.22 -1.14 0.28 -0.51 -1.46 0.00 0.00 175.22 172.61 1r27 s LEU 1089N 1.97 4.33 -0.46 6.12 1.43 -0.55 -4.58 118.68 126.95 1r27 s LEU 1089Ca 0.08 0.46 0.09 0.00 -1.03 0.00 0.00 54.13 53.73 1r27 s LEU 1089Cb -0.26 -2.98 0.36 0.00 0.03 0.00 0.00 46.19 43.34 1r27 s LEU 1089CO 0.03 0.16 0.86 0.35 0.23 0.00 0.00 176.35 177.98 1r27 n THR 1090N 0.48 1.39 -1.40 5.49 -2.24 -1.26 -2.10 114.28 114.64 1r27 n THR 1090Ca -0.06 -4.93 -0.34 0.00 -2.27 0.00 0.00 64.05 56.45 1r27 n THR 1090Cb 0.52 -0.73 0.09 0.00 -2.10 0.00 0.00 70.33 68.11 1r27 n THR 1090CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1r27 s PRO 1091N -2.97 2.12 0.25 -0.78 0.04 -1.26 -3.70 135.00 128.70 1r27 s PRO 1091Ca 0.43 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.87 1r27 s PRO 1091Cb 0.33 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.94 1r27 s PRO 1091CO -0.10 -1.83 1.24 -1.01 0.04 0.00 0.00 177.00 175.33 1r27 s HIS 1092N -2.09 3.31 0.82 0.56 3.76 -1.26 0.33 115.29 120.72 1r27 s HIS 1092Ca 0.73 1.43 -0.11 0.00 -0.15 0.00 0.00 55.06 56.96 1r27 s HIS 1092Cb -0.27 -3.51 0.08 0.00 1.11 0.00 0.00 32.58 29.98 1r27 s HIS 1092CO 0.46 -1.42 1.09 1.14 -0.85 0.00 0.00 174.74 175.16 1r27 s GLN 1093N -0.95 1.90 0.17 1.40 -2.07 -1.12 -4.76 119.66 114.23 1r27 s GLN 1093Ca 0.51 0.92 0.22 0.00 -1.82 0.00 0.00 55.36 55.19 1r27 s GLN 1093Cb -0.36 -1.87 -0.04 0.00 -1.09 0.00 0.00 33.01 29.65 1r27 s GLN 1093CO 0.43 -1.82 0.98 1.17 -1.32 0.00 0.00 175.29 174.73 1r27 n LYS 1094N -3.61 0.61 -1.55 9.60 4.81 -1.26 -4.33 118.16 122.42 1r27 n LYS 1094Ca 0.08 0.11 -0.26 0.00 -0.87 0.00 0.00 58.31 57.37 1r27 n LYS 1094Cb 0.54 -1.81 0.07 0.00 0.02 0.00 0.00 35.03 33.86 1r27 n LYS 1094CO 0.00 0.00 0.00 0.91 1.17 0.00 0.00 177.40 179.48 1r27 n TRP 1095N -2.67 2.74 0.00 5.64 7.02 -1.26 -4.89 117.44 124.02 1r27 n TRP 1095Ca -0.01 -2.46 0.00 0.00 -1.02 0.00 0.00 57.50 54.01 1r27 n TRP 1095Cb 0.58 -0.84 0.00 0.00 -2.42 0.00 0.00 31.31 28.63 1r27 n TRP 1095CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1r27 n GLY 1096N -0.87 0.52 3.03 6.99 0.00 -1.26 -4.28 105.19 109.32 1r27 n GLY 1096Ca 0.51 -1.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 1r27 n GLY 1096CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r27 s ILE 1097N -2.00 2.08 0.00 -0.61 -1.09 -0.64 -4.69 121.20 114.25 1r27 s ILE 1097Ca 0.00 -1.79 0.00 0.00 -2.23 0.00 0.00 60.65 56.63 1r27 s ILE 1097Cb 0.00 -2.32 0.00 0.00 -1.58 0.00 0.00 42.46 38.56 1r27 s ILE 1097CO 0.00 -0.22 0.00 1.41 -1.23 0.00 0.00 174.94 174.90 1r27 n HIS 1098N 4.42 0.00 1.03 3.97 8.25 -1.26 -1.22 115.22 130.41 1r27 n HIS 1098Ca -0.08 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.51 1r27 n HIS 1098Cb 0.42 0.05 0.54 0.00 1.12 0.00 0.00 29.99 32.12 1r27 n HIS 1098CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1r27 n SER 1099N -0.53 0.14 -4.76 0.41 3.41 -1.24 -4.46 113.62 106.59 1r27 n SER 1099Ca 0.00 0.25 -0.41 0.00 -0.26 0.00 0.00 58.87 58.45 1r27 n SER 1099Cb 0.00 -0.29 -0.02 0.00 -0.26 0.00 0.00 64.21 63.63 1r27 n SER 1099CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1r27 s THR 1100N -2.96 2.83 0.00 6.66 2.01 -0.36 -1.68 115.64 122.14 1r27 s THR 1100Ca 0.14 0.77 0.00 0.00 0.31 0.00 0.00 61.69 62.91 1r27 s THR 1100Cb 0.19 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.21 1r27 s THR 1100CO 0.57 0.15 0.00 -1.22 -0.69 0.00 0.00 174.62 173.43 1r27 n TYR 1101N 1.57 0.00 0.25 4.92 4.01 -1.26 -1.61 117.16 125.03 1r27 n TYR 1101Ca 0.03 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.85 1r27 n TYR 1101Cb 0.42 -0.05 0.62 0.00 -0.31 0.00 0.00 39.34 40.02 1r27 n TYR 1101CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1r27 h SER 1102N 0.00 0.00 -0.08 7.72 4.64 -1.51 -1.35 113.55 122.98 1r27 h SER 1102Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r27 h SER 1102Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1r27 h SER 1102CO 0.00 0.12 0.00 -0.90 -0.87 0.00 0.00 176.83 175.18 1r27 n ASP 1103N -4.16 3.07 -4.67 4.97 5.75 -1.26 -4.69 116.55 115.56 1r27 n ASP 1103Ca -0.02 -2.00 -0.42 0.00 -0.01 0.00 0.00 54.79 52.33 1r27 n ASP 1103Cb 0.20 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.23 1r27 n ASP 1103CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1r27 s ASN 1104N -1.93 6.85 0.38 -1.12 3.84 -0.51 -4.92 114.94 117.53 1r27 s ASN 1104Ca 0.29 1.97 0.11 0.00 0.21 0.00 0.00 52.86 55.45 1r27 s ASN 1104Cb 0.20 -2.54 0.90 0.00 -0.55 0.00 0.00 41.25 39.26 1r27 s ASN 1104CO 0.30 -0.78 1.88 0.25 -2.79 0.00 0.00 177.10 175.96 1r27 h LEU 1105N 9.37 0.57 -0.57 3.21 5.85 -1.91 -0.71 115.31 131.12 1r27 h LEU 1105Ca -0.34 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 1r27 h LEU 1105Cb 1.15 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1r27 h LEU 1105CO 0.94 0.28 0.24 -0.07 -0.34 0.00 0.00 178.44 179.49 1r27 h LEU 1106N 0.60 0.78 -0.41 2.25 3.38 -1.93 0.50 115.31 120.48 1r27 h LEU 1106Ca 0.43 -0.16 -0.17 0.00 0.09 0.00 0.00 57.88 58.07 1r27 h LEU 1106Cb 0.80 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1r27 h LEU 1106CO -0.19 0.73 -0.53 0.24 0.09 0.00 0.00 178.44 178.78 1r27 h MET 1107N 0.78 0.74 -0.30 1.13 2.86 -1.58 -2.23 114.93 116.34 1r27 h MET 1107Ca 0.19 -0.46 -0.08 0.00 -2.06 0.00 0.00 59.70 57.29 1r27 h MET 1107Cb 0.19 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1r27 h MET 1107CO -0.02 1.08 -0.17 -0.07 1.06 0.00 0.00 176.91 178.80 1r27 h LEU 1108N 0.57 0.52 -0.44 1.22 3.38 -0.93 -1.49 115.31 118.14 1r27 h LEU 1108Ca 0.02 -0.15 -0.18 0.00 0.09 0.00 0.00 57.88 57.66 1r27 h LEU 1108Cb 1.11 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1r27 h LEU 1108CO 0.11 0.71 -0.74 0.74 0.09 0.00 0.00 178.44 179.35 1r27 h THR 1109N 0.48 1.41 0.00 0.22 2.02 -0.82 0.58 112.91 116.80 1r27 h THR 1109Ca 0.08 -2.22 0.00 0.00 0.77 0.00 0.00 66.41 65.04 1r27 h THR 1109Cb 0.57 2.18 0.00 0.00 -1.74 0.00 0.00 68.15 69.16 1r27 h THR 1109CO 0.04 0.66 -0.18 -0.07 0.37 0.00 0.00 175.52 176.33 1r27 h LEU 1110N 0.20 0.00 0.00 2.58 3.38 -1.23 -3.44 115.31 116.80 1r27 h LEU 1110Ca -0.03 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1r27 h LEU 1110Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1r27 h LEU 1110CO 0.12 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.28 1r27 n GLY 1111N 1.26 0.59 1.02 0.83 0.00 -0.58 -5.00 105.19 103.32 1r27 n GLY 1111Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1r27 n GLY 1111CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 n ARG 1112N 0.00 1.80 -2.34 1.61 1.74 -1.24 -4.99 116.66 113.23 1r27 n ARG 1112Ca 0.00 -3.34 -0.17 0.00 -0.77 0.00 0.00 57.85 53.57 1r27 n ARG 1112Cb 0.00 -1.57 -0.01 0.00 -1.02 0.00 0.00 32.46 29.86 1r27 n ARG 1112CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1r27 n GLY 1113N -0.86 -0.33 0.00 -0.13 0.00 0.19 -4.88 105.19 99.17 1r27 n GLY 1113Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1r27 n GLY 1113CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r27 n GLY 1114N -1.03 0.93 3.63 -0.02 0.00 -1.26 -4.84 105.19 102.61 1r27 n GLY 1114Ca -0.20 -1.93 -0.53 0.00 0.00 0.00 0.00 46.02 43.36 1r27 n GLY 1114CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1r27 n PRO 1115N -1.82 1.39 -4.23 1.61 -0.02 -1.26 -4.95 135.00 125.72 1r27 n PRO 1115Ca 0.00 0.48 -0.13 0.00 -2.02 0.00 0.00 63.50 61.83 1r27 n PRO 1115Cb 0.00 -2.33 -0.10 0.00 -0.02 0.00 0.00 33.50 31.05 1r27 n PRO 1115CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1r27 s VAL 1116N 4.68 0.70 -0.01 -1.45 -7.23 -1.26 -1.78 120.40 114.04 1r27 s VAL 1116Ca 1.00 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 1r27 s VAL 1116Cb -0.92 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 33.96 1r27 s VAL 1116CO 0.58 -0.53 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.10 1r27 s VAL 1117N -3.64 0.44 -0.06 1.32 1.01 0.29 -4.58 120.40 115.18 1r27 s VAL 1117Ca 0.22 -0.19 -0.18 0.00 0.00 0.00 0.00 61.98 61.83 1r27 s VAL 1117Cb 0.06 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 1r27 s VAL 1117CO 0.03 0.15 0.49 0.26 0.00 0.00 0.00 175.10 176.02 1r27 s TRP 1118N 0.19 3.61 0.04 5.22 0.52 0.16 -0.53 118.94 128.14 1r27 s TRP 1118Ca -0.02 0.99 0.04 0.00 0.02 0.00 0.00 56.10 57.12 1r27 s TRP 1118Cb -0.06 -2.50 -0.02 0.00 -1.15 0.00 0.00 33.47 29.74 1r27 s TRP 1118CO -0.00 0.33 -0.11 -0.51 0.02 0.00 0.00 176.95 176.67 1r27 s LEU 1119N 0.01 2.18 0.80 2.99 1.43 -0.45 -1.55 118.68 124.09 1r27 s LEU 1119Ca 0.26 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1r27 s LEU 1119Cb -0.16 -0.43 0.07 0.00 0.03 0.00 0.00 46.19 45.70 1r27 s LEU 1119CO 0.13 -0.03 1.09 -0.94 0.23 0.00 0.00 176.35 176.82 1r27 s SER 1120N -1.16 4.27 0.21 2.29 1.04 -1.26 -1.27 113.70 117.83 1r27 s SER 1120Ca -0.02 1.78 -0.06 0.00 0.48 0.00 0.00 55.95 58.13 1r27 s SER 1120Cb -0.08 -2.46 0.18 0.00 0.10 0.00 0.00 66.02 63.76 1r27 s SER 1120CO 0.01 -2.18 1.69 -0.33 0.98 0.00 0.00 173.24 173.42 1r27 h GLU 1121N -1.23 0.97 0.71 4.02 5.08 -1.74 -2.08 114.58 120.30 1r27 h GLU 1121Ca -0.45 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 57.60 1r27 h GLU 1121Cb 1.24 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.39 1r27 h GLU 1121CO 0.52 0.95 -0.44 0.00 -1.00 0.00 0.00 179.01 179.04 1r27 h ALA 1122N 1.11 -1.11 -0.89 3.43 0.00 -1.92 -0.52 119.26 119.36 1r27 h ALA 1122Ca 0.17 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1r27 h ALA 1122Cb 0.51 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1r27 h ALA 1122CO 0.03 -1.14 0.57 -0.44 0.00 0.00 0.00 179.25 178.27 1r27 h ASP 1123N -1.08 0.95 -0.23 0.00 3.32 -1.94 -1.24 116.42 116.20 1r27 h ASP 1123Ca -0.09 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.97 1r27 h ASP 1123Cb 0.87 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1r27 h ASP 1123CO 0.09 0.65 0.11 0.00 -1.72 0.00 0.00 179.24 178.37 1r27 h ALA 1124N 1.37 0.28 -0.70 3.45 0.00 -1.21 -1.39 119.26 121.06 1r27 h ALA 1124Ca 0.36 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1r27 h ALA 1124Cb 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1r27 h ALA 1124CO -0.12 -0.29 0.47 -0.22 0.00 0.00 0.00 179.25 179.08 1r27 h LYS 1125N 0.24 0.93 -0.63 0.00 3.64 -0.62 0.11 116.57 120.23 1r27 h LYS 1125Ca 0.09 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1r27 h LYS 1125Cb 0.03 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 1r27 h LYS 1125CO -0.07 0.61 0.42 -0.44 -2.27 0.00 0.00 179.45 177.71 1r27 h ASP 1126N 0.95 0.70 0.12 4.20 3.32 -0.73 -2.12 116.42 122.87 1r27 h ASP 1126Ca 0.26 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1r27 h ASP 1126Cb -0.11 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.27 1r27 h ASP 1126CO -0.06 0.50 -0.19 0.18 -1.72 0.00 0.00 179.24 177.95 1r27 n LEU 1127N -4.45 1.37 -2.26 1.55 4.77 -0.57 -4.94 117.00 112.46 1r27 n LEU 1127Ca 0.07 -0.42 -0.14 0.00 -0.03 0.00 0.00 56.01 55.49 1r27 n LEU 1127Cb 0.07 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1r27 n LEU 1127CO 0.35 0.24 0.13 0.61 -1.33 0.00 0.00 177.39 177.40 1r27 n GLY 1128N 1.30 0.06 3.55 -0.72 0.00 -0.11 -4.61 105.19 104.66 1r27 n GLY 1128Ca 0.14 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1r27 n GLY 1128CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r27 s ILE 1129N -3.15 4.24 0.19 -0.61 1.01 0.20 -4.92 121.20 118.17 1r27 s ILE 1129Ca 0.32 -0.23 0.05 0.00 0.00 0.00 0.00 60.65 60.79 1r27 s ILE 1129Cb -0.14 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 1r27 s ILE 1129CO 0.40 0.48 0.20 0.00 0.00 0.00 0.00 174.94 176.02 1r27 s ALA 1130N 0.39 3.69 0.19 9.38 0.00 -1.26 -4.44 121.76 129.70 1r27 s ALA 1130Ca -0.01 -1.24 -0.33 0.00 0.00 0.00 0.00 51.96 50.38 1r27 s ALA 1130Cb -0.13 -1.46 -0.14 0.00 0.00 0.00 0.00 23.12 21.38 1r27 s ALA 1130CO 0.02 0.41 1.35 -3.47 0.00 0.00 0.00 175.76 174.07 1r27 n ASP 1131N -0.73 2.27 -0.14 0.00 2.03 -1.26 -1.51 116.55 117.21 1r27 n ASP 1131Ca -0.08 1.13 -0.02 0.00 0.52 0.00 0.00 54.79 56.34 1r27 n ASP 1131Cb 0.56 -1.34 -0.01 0.00 -0.72 0.00 0.00 41.12 39.61 1r27 n ASP 1131CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1r27 n ASN 1132N 2.34 -4.01 -4.81 1.67 5.15 0.16 -4.96 115.26 110.81 1r27 n ASN 1132Ca 0.14 0.05 -0.33 0.00 -0.60 0.00 0.00 54.58 53.83 1r27 n ASN 1132Cb 0.28 -1.67 -0.03 0.00 -0.53 0.00 0.00 39.78 37.83 1r27 n ASN 1132CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1r27 s ASP 1133N -2.23 6.33 0.08 1.20 1.01 -0.57 -4.51 116.67 117.98 1r27 s ASP 1133Ca 0.00 1.82 -0.30 0.00 0.71 0.00 0.00 52.55 54.78 1r27 s ASP 1133Cb 0.00 -2.54 -0.06 0.00 1.01 0.00 0.00 42.92 41.33 1r27 s ASP 1133CO 0.00 -0.79 1.10 0.26 0.21 0.00 0.00 175.17 175.95 1r27 s TRP 1134N -2.21 3.56 0.24 4.23 0.52 -1.26 -0.92 118.94 123.10 1r27 s TRP 1134Ca 0.65 1.51 0.03 0.00 0.02 0.00 0.00 56.10 58.31 1r27 s TRP 1134Cb -0.14 -3.28 -0.05 0.00 -1.15 0.00 0.00 33.47 28.84 1r27 s TRP 1134CO 0.24 -0.69 0.01 0.96 0.02 0.00 0.00 176.95 177.49 1r27 s ILE 1135N 0.61 0.99 -0.03 2.03 -4.36 0.88 -1.00 121.20 120.32 1r27 s ILE 1135Ca 0.54 -2.03 0.04 0.00 -0.26 0.00 0.00 60.65 58.94 1r27 s ILE 1135Cb -0.27 -2.40 -0.00 0.00 1.25 0.00 0.00 42.46 41.04 1r27 s ILE 1135CO 0.31 -0.27 -0.13 -0.70 0.24 0.00 0.00 174.94 174.38 1r27 s GLU 1136N -3.88 1.35 -0.08 0.37 2.12 -0.46 -2.06 118.70 116.06 1r27 s GLU 1136Ca 0.30 -0.47 0.03 0.00 0.36 0.00 0.00 54.97 55.19 1r27 s GLU 1136Cb 0.06 -1.22 0.01 0.00 0.26 0.00 0.00 34.13 33.24 1r27 s GLU 1136CO 0.10 0.20 -0.18 0.08 -0.54 0.00 0.00 175.26 174.91 1r27 s VAL 1137N 0.05 1.56 0.29 3.70 1.01 -0.47 -2.12 120.40 124.43 1r27 s VAL 1137Ca -0.02 -0.74 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 1r27 s VAL 1137Cb -0.09 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.93 1r27 s VAL 1137CO 0.01 0.45 0.70 0.72 0.00 0.00 0.00 175.10 176.98 1r27 s PHE 1138N 0.45 -0.11 0.00 5.22 -0.12 -0.48 -0.66 117.98 122.28 1r27 s PHE 1138Ca -0.15 -0.36 0.00 0.00 -0.05 0.00 0.00 56.93 56.37 1r27 s PHE 1138Cb -0.16 0.67 0.00 0.00 -0.63 0.00 0.00 43.02 42.90 1r27 s PHE 1138CO 0.06 -1.25 0.00 0.27 -0.05 0.00 0.00 175.22 174.25 1r27 n ASN 1139N -0.55 0.00 0.25 1.98 0.23 -0.84 0.04 115.26 116.37 1r27 n ASN 1139Ca -0.04 -0.52 0.17 0.00 -0.53 0.00 0.00 54.58 53.65 1r27 n ASN 1139Cb 0.59 0.00 0.83 0.00 -2.08 0.00 0.00 39.78 39.13 1r27 n ASN 1139CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1r27 h SER 1140N 0.00 0.00 1.00 0.53 4.64 -1.30 -2.90 113.55 115.52 1r27 h SER 1140Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1r27 h SER 1140Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 1r27 h SER 1140CO 0.00 0.00 -1.05 0.78 -0.87 0.00 0.00 176.83 175.69 1r27 h ASN 1141N 0.00 0.00 -0.02 4.97 -0.26 -1.84 -0.53 115.58 117.90 1r27 h ASN 1141Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1r27 h ASN 1141Cb 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1r27 h ASN 1141CO 0.00 0.85 0.00 0.61 -1.06 0.00 0.00 177.43 177.83 1r27 n GLY 1142N 1.36 -0.86 3.17 2.83 0.00 -0.82 -4.16 105.19 106.72 1r27 n GLY 1142Ca -0.03 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 1r27 n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r27 s ALA 1143N -1.00 -0.30 0.04 4.61 0.00 -1.26 -1.99 121.76 121.86 1r27 s ALA 1143Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.60 1r27 s ALA 1143Cb 0.00 0.30 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1r27 s ALA 1143CO 0.00 -0.37 -0.04 -0.48 0.00 0.00 0.00 175.76 174.87 1r27 s LEU 1144N -2.18 2.34 0.08 0.00 0.05 0.16 -1.51 118.68 117.63 1r27 s LEU 1144Ca -0.04 -0.71 0.09 0.00 0.05 0.00 0.00 54.13 53.52 1r27 s LEU 1144Cb -0.00 0.06 -0.03 0.00 -2.05 0.00 0.00 46.19 44.17 1r27 s LEU 1144CO -0.05 -0.39 -0.22 0.42 -0.55 0.00 0.00 176.35 175.57 1r27 s THR 1145N -2.38 2.55 0.04 5.48 -4.23 -1.26 -1.37 115.64 114.48 1r27 s THR 1145Ca -0.05 -1.42 -0.29 0.00 -1.18 0.00 0.00 61.69 58.75 1r27 s THR 1145Cb -0.03 -2.09 0.10 0.00 1.34 0.00 0.00 72.50 71.81 1r27 s THR 1145CO -0.04 0.24 1.16 0.00 -0.54 0.00 0.00 174.62 175.44 1r27 s ALA 1146N -0.98 -2.01 0.13 3.99 0.00 -0.87 -4.84 121.76 117.17 1r27 s ALA 1146Ca 0.15 0.52 -0.01 0.00 0.00 0.00 0.00 51.96 52.61 1r27 s ALA 1146Cb -0.10 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1r27 s ALA 1146CO 0.06 -1.03 0.31 1.03 0.00 0.00 0.00 175.76 176.13 1r27 s ARG 1147N -2.75 3.51 0.26 0.00 0.52 -0.74 -0.08 118.95 119.67 1r27 s ARG 1147Ca 0.13 -0.33 -0.10 0.00 -0.52 0.00 0.00 55.73 54.91 1r27 s ARG 1147Cb 0.02 -2.92 -0.07 0.00 0.52 0.00 0.00 34.95 32.50 1r27 s ARG 1147CO -0.02 0.50 0.59 0.00 0.02 0.00 0.00 175.30 176.40 1r27 s ALA 1148N -1.67 3.52 -0.25 2.13 0.00 -0.10 -0.55 121.76 124.84 1r27 s ALA 1148Ca 0.38 -0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.09 1r27 s ALA 1148Cb -0.12 -2.49 0.07 0.00 0.00 0.00 0.00 23.12 20.58 1r27 s ALA 1148CO 0.27 0.42 -0.01 0.08 0.00 0.00 0.00 175.76 176.52 1r27 s VAL 1149N -1.90 1.43 -0.21 0.00 1.01 0.31 0.40 120.40 121.43 1r27 s VAL 1149Ca 0.48 -1.31 -0.19 0.00 0.00 0.00 0.00 61.98 60.97 1r27 s VAL 1149Cb -0.11 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 1r27 s VAL 1149CO 0.22 -0.24 0.55 -0.69 0.00 0.00 0.00 175.10 174.94 1r27 s VAL 1150N 1.41 5.07 0.03 2.92 1.01 -1.26 -1.34 120.40 128.24 1r27 s VAL 1150Ca -0.02 1.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.97 1r27 s VAL 1150Cb -0.19 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 1r27 s VAL 1150CO -0.09 0.14 -0.02 -0.55 0.00 0.00 0.00 175.10 174.57 1r27 s SER 1151N 1.24 0.32 0.24 3.32 0.15 -0.40 -4.95 113.70 113.62 1r27 s SER 1151Ca 0.25 -0.66 0.12 0.00 0.70 0.00 0.00 55.95 56.36 1r27 s SER 1151Cb -0.16 0.14 0.10 0.00 -1.71 0.00 0.00 66.02 64.40 1r27 s SER 1151CO 0.10 -0.41 1.45 -0.61 1.20 0.00 0.00 173.24 174.97 1r27 h GLN 1152N 4.12 0.00 0.00 5.44 4.15 -1.95 -2.92 115.11 123.95 1r27 h GLN 1152Ca -0.33 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.09 1r27 h GLN 1152Cb 1.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.88 1r27 h GLN 1152CO 0.50 0.67 0.00 0.07 -1.93 0.00 0.00 178.83 178.13 1r27 h ARG 1153N 0.00 0.00 -5.49 1.69 0.11 -1.94 -3.42 114.38 105.33 1r27 h ARG 1153Ca -0.01 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.47 1r27 h ARG 1153Cb 1.41 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 32.38 1r27 h ARG 1153CO 0.09 0.00 -0.14 0.08 0.10 0.00 0.00 179.97 180.09 1r27 s VAL 1154N -3.57 5.17 0.44 0.08 1.01 -1.23 -2.18 120.40 120.12 1r27 s VAL 1154Ca 0.00 0.81 -0.22 0.00 0.00 0.00 0.00 61.98 62.57 1r27 s VAL 1154Cb 0.09 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 1r27 s VAL 1154CO 0.37 0.24 1.05 -2.16 0.00 0.00 0.00 175.10 174.59 1r27 s PRO 1155N 1.34 3.98 0.57 2.72 0.04 -1.26 -4.30 135.00 138.09 1r27 s PRO 1155Ca 0.21 1.44 -0.21 0.00 0.04 0.00 0.00 61.00 62.48 1r27 s PRO 1155Cb -0.15 -2.31 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1r27 s PRO 1155CO 0.09 -0.29 1.33 0.00 0.04 0.00 0.00 177.00 178.17 1r27 n ALA 1156N -0.53 1.44 0.00 8.56 0.00 -1.26 -3.05 120.51 125.67 1r27 n ALA 1156Ca 0.07 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1r27 n ALA 1156Cb 0.51 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1r27 n ALA 1156CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r27 n GLY 1157N 0.81 3.45 3.27 0.00 0.00 -1.26 -5.04 105.19 106.42 1r27 n GLY 1157Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1r27 n GLY 1157CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1r27 s MET 1158N -0.90 1.09 0.06 1.61 0.23 -1.17 -1.95 119.30 118.27 1r27 s MET 1158Ca 0.00 -1.21 0.06 0.00 -1.03 0.00 0.00 55.69 53.51 1r27 s MET 1158Cb 0.00 -1.18 -0.03 0.00 -1.53 0.00 0.00 34.83 32.09 1r27 s MET 1158CO 0.00 0.26 -0.16 -0.08 -2.03 0.00 0.00 175.02 173.00 1r27 s THR 1159N -1.62 1.29 -0.14 3.16 -1.32 -0.01 -4.42 115.64 112.58 1r27 s THR 1159Ca 0.08 -1.24 -0.00 0.00 -1.21 0.00 0.00 61.69 59.32 1r27 s THR 1159Cb -0.08 -1.18 0.03 0.00 -1.51 0.00 0.00 72.50 69.75 1r27 s THR 1159CO 0.04 -0.07 -0.09 -0.04 -2.21 0.00 0.00 174.62 172.25 1r27 s MET 1160N -1.51 1.78 -0.49 7.08 -1.94 -0.60 -1.48 119.30 122.13 1r27 s MET 1160Ca 0.02 -0.41 -0.00 0.00 -1.71 0.00 0.00 55.69 53.58 1r27 s MET 1160Cb -0.09 -1.84 0.13 0.00 2.01 0.00 0.00 34.83 35.04 1r27 s MET 1160CO 0.02 -0.29 0.27 1.41 -0.01 0.00 0.00 175.02 176.43 1r27 s MET 1161N 1.62 2.11 0.01 2.03 1.75 -0.89 0.35 119.30 126.27 1r27 s MET 1161Ca 0.04 -2.24 -0.38 0.00 -1.25 0.00 0.00 55.69 51.87 1r27 s MET 1161Cb -0.13 -3.52 -0.17 0.00 2.84 0.00 0.00 34.83 33.85 1r27 s MET 1161CO -0.09 -1.09 1.40 0.66 -0.65 0.00 0.00 175.02 175.24 1r27 n TYR 1162N 3.86 1.56 -1.76 4.11 4.01 -1.26 -4.44 117.16 123.24 1r27 n TYR 1162Ca 0.04 0.65 -0.42 0.00 -0.16 0.00 0.00 57.90 58.01 1r27 n TYR 1162Cb 0.38 -2.34 -0.03 0.00 -0.31 0.00 0.00 39.34 37.04 1r27 n TYR 1162CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1r27 s HIS 1163N 1.02 2.59 0.00 -0.72 5.65 0.15 -4.13 115.29 119.84 1r27 s HIS 1163Ca 0.87 0.22 0.00 0.00 0.25 0.00 0.00 55.06 56.41 1r27 s HIS 1163Cb -1.00 -4.12 0.00 0.00 -1.18 0.00 0.00 32.58 26.28 1r27 s HIS 1163CO 0.51 -4.41 0.00 0.00 -0.65 0.00 0.00 174.74 170.19 1r27 n ALA 1164N 4.77 0.00 0.92 1.58 0.00 -1.26 -2.80 120.51 123.72 1r27 n ALA 1164Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.74 1r27 n ALA 1164Cb 0.37 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.27 1r27 n ALA 1164CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1r27 n GLN 1165N -0.24 0.06 -0.98 0.00 6.02 -1.26 -3.69 117.38 117.29 1r27 n GLN 1165Ca 0.00 0.03 0.13 0.00 -0.01 0.00 0.00 57.00 57.16 1r27 n GLN 1165Cb 0.00 -1.55 -0.03 0.00 1.02 0.00 0.00 30.24 29.67 1r27 n GLN 1165CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1r27 n GLU 1166N -1.64 -1.97 -0.43 -1.09 1.02 -1.26 -4.74 120.64 110.52 1r27 n GLU 1166Ca 0.06 1.30 0.07 0.00 -0.02 0.00 0.00 57.16 58.57 1r27 n GLU 1166Cb 0.36 -2.40 0.14 0.00 -0.02 0.00 0.00 31.44 29.52 1r27 n GLU 1166CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1r27 n ARG 1167N -3.43 1.18 -0.00 3.49 0.63 -1.26 -4.76 116.66 112.50 1r27 n ARG 1167Ca 0.01 -2.67 0.03 0.00 -0.92 0.00 0.00 57.85 54.29 1r27 n ARG 1167Cb 0.45 -1.33 -0.04 0.00 0.45 0.00 0.00 32.46 31.99 1r27 n ARG 1167CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 1r27 n ILE 1168N -1.02 0.00 -4.68 5.15 -5.35 -1.26 -4.98 119.36 107.21 1r27 n ILE 1168Ca 0.15 -0.34 -0.25 0.00 -0.27 0.00 0.00 62.75 62.04 1r27 n ILE 1168Cb 0.71 0.95 -0.16 0.00 -1.74 0.00 0.00 39.64 39.40 1r27 n ILE 1168CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1r27 s VAL 1169N -1.64 1.26 -1.37 7.28 1.01 -1.26 -4.89 120.40 120.78 1r27 s VAL 1169Ca 0.02 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 1r27 s VAL 1169Cb 0.05 -1.13 0.00 0.00 0.00 0.00 0.00 36.38 35.30 1r27 s VAL 1169CO 0.26 0.38 0.47 -3.20 0.00 0.00 0.00 175.10 173.00 1r27 n ASN 1170N 3.65 -0.98 -4.10 3.32 5.15 -1.26 -4.41 115.26 116.62 1r27 n ASN 1170Ca -0.21 -1.02 -0.31 0.00 -0.60 0.00 0.00 54.58 52.44 1r27 n ASN 1170Cb 0.52 -3.06 -0.16 0.00 -0.53 0.00 0.00 39.78 36.55 1r27 n ASN 1170CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1r27 s LEU 1171N -6.92 1.93 0.00 1.20 1.43 -1.26 -4.60 118.68 110.47 1r27 s LEU 1171Ca 0.07 -0.55 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 1r27 s LEU 1171Cb -0.03 -1.32 0.18 0.00 0.03 0.00 0.00 46.19 45.05 1r27 s LEU 1171CO 0.89 0.02 1.14 -0.81 0.23 0.00 0.00 176.35 177.81 1r27 n PRO 1172N 4.37 -0.53 -1.53 1.29 -0.04 -1.26 -4.70 135.00 132.60 1r27 n PRO 1172Ca -0.19 -2.56 -0.32 0.00 -0.04 0.00 0.00 63.50 60.39 1r27 n PRO 1172Cb 0.51 -0.92 0.07 0.00 -0.04 0.00 0.00 33.50 33.11 1r27 n PRO 1172CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1r27 s GLY 1173N -5.44 1.91 -0.04 0.55 0.00 0.31 -1.46 107.32 103.14 1r27 s GLY 1173Ca 0.71 0.38 -0.15 0.00 0.00 0.00 0.00 44.72 45.67 1r27 s GLY 1173CO 0.48 0.73 0.40 -0.45 0.00 0.00 0.00 173.10 174.26 1r27 s SER 1174N -3.03 6.73 0.21 1.64 0.15 0.76 -4.64 113.70 115.53 1r27 s SER 1174Ca 0.64 0.87 0.25 0.00 0.70 0.00 0.00 55.95 58.41 1r27 s SER 1174Cb -0.18 -2.24 0.52 0.00 -1.71 0.00 0.00 66.02 62.40 1r27 s SER 1174CO 0.49 0.25 1.54 -0.33 1.20 0.00 0.00 173.24 176.39 1r27 h GLU 1175N 5.26 0.00 0.13 5.44 5.08 -1.89 -0.35 114.58 128.26 1r27 h GLU 1175Ca -0.49 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 57.53 1r27 h GLU 1175Cb 1.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 1r27 h GLU 1175CO 0.65 0.00 -1.76 0.82 -1.00 0.00 0.00 179.01 177.72 1r27 h ILE 1176N 0.00 0.90 0.00 3.13 1.08 -1.93 -3.40 117.51 117.28 1r27 h ILE 1176Ca 0.00 -2.56 0.00 0.00 -0.39 0.00 0.00 64.86 61.91 1r27 h ILE 1176Cb 0.80 2.66 0.00 0.00 -3.07 0.00 0.00 36.82 37.21 1r27 h ILE 1176CO 0.00 0.83 -0.86 0.35 -0.69 0.00 0.00 178.15 177.78 1r27 n THR 1177N -3.47 0.00 -1.64 -0.27 -2.24 -1.25 -4.99 114.28 100.42 1r27 n THR 1177Ca -0.24 -0.25 -0.16 0.00 -2.27 0.00 0.00 64.05 61.13 1r27 n THR 1177Cb 1.06 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.94 1r27 n THR 1177CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r27 n GLN 1178N -1.48 -1.15 -4.56 -0.78 6.02 -0.14 -4.98 117.38 110.32 1r27 n GLN 1178Ca 0.00 1.01 -0.26 0.00 -0.01 0.00 0.00 57.00 57.74 1r27 n GLN 1178Cb 0.19 -5.23 -0.09 0.00 1.02 0.00 0.00 30.24 26.13 1r27 n GLN 1178CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1r27 s GLN 1179N -3.66 1.91 0.38 -1.09 -0.21 -1.26 -4.86 119.66 110.88 1r27 s GLN 1179Ca 0.00 -2.14 -0.26 0.00 0.02 0.00 0.00 55.36 52.98 1r27 s GLN 1179Cb 0.00 -0.99 -0.11 0.00 1.00 0.00 0.00 33.01 32.91 1r27 s GLN 1179CO 0.00 -0.33 1.10 -2.13 -2.12 0.00 0.00 175.29 171.81 1r27 n ARG 1180N -0.93 1.58 -1.30 2.91 3.00 -1.26 -0.17 116.66 120.49 1r27 n ARG 1180Ca -0.08 0.56 -0.36 0.00 -0.00 0.00 0.00 57.85 57.98 1r27 n ARG 1180Cb 0.66 -2.10 0.09 0.00 0.00 0.00 0.00 32.46 31.10 1r27 n ARG 1180CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1r27 n GLY 1181N 1.06 -0.73 0.00 5.14 0.00 -0.53 -4.58 105.19 105.55 1r27 n GLY 1181Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1r27 n GLY 1181CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r27 n GLY 1182N 1.21 0.66 3.79 -0.02 0.00 -0.57 -4.79 105.19 105.47 1r27 n GLY 1182Ca 0.12 -1.91 -0.28 0.00 0.00 0.00 0.00 46.02 43.95 1r27 n GLY 1182CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1r27 s ILE 1183N 0.43 1.73 0.52 -0.61 -4.36 -1.26 -4.04 121.20 113.60 1r27 s ILE 1183Ca 0.00 -1.74 0.23 0.00 -0.26 0.00 0.00 60.65 58.88 1r27 s ILE 1183Cb 0.00 -2.46 0.37 0.00 1.25 0.00 0.00 42.46 41.61 1r27 s ILE 1183CO 0.00 0.00 2.02 1.12 0.24 0.00 0.00 174.94 178.32 1r27 h HIS 1184N 1.20 0.04 -0.23 1.37 2.07 -1.95 0.20 115.15 117.86 1r27 h HIS 1184Ca -0.41 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.11 1r27 h HIS 1184Cb 1.29 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.25 1r27 h HIS 1184CO 1.03 0.02 0.00 0.09 -3.07 0.00 0.00 177.93 176.00 1r27 n ASN 1185N -4.42 1.30 0.13 3.10 3.02 -1.26 -3.17 115.26 113.95 1r27 n ASN 1185Ca 0.08 -2.01 0.03 0.00 -0.03 0.00 0.00 54.58 52.64 1r27 n ASN 1185Cb 0.49 -0.17 0.02 0.00 -0.61 0.00 0.00 39.78 39.51 1r27 n ASN 1185CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1r27 h SER 1186N 1.35 0.00 -0.70 6.41 0.02 -0.93 -0.73 113.55 118.97 1r27 h SER 1186Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1r27 h SER 1186Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1r27 h SER 1186CO 0.01 0.46 0.00 1.33 -1.14 0.00 0.00 176.83 177.49 1r27 n VAL 1187N -3.15 1.11 -4.31 2.27 0.24 -1.19 -1.94 118.33 111.36 1r27 n VAL 1187Ca 0.00 -0.99 -0.25 0.00 -2.04 0.00 0.00 64.34 61.07 1r27 n VAL 1187Cb 0.73 0.41 -0.08 0.00 -1.47 0.00 0.00 33.84 33.42 1r27 n VAL 1187CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1r27 s THR 1188N -1.20 2.45 -0.13 3.34 -4.23 -1.24 -4.74 115.64 109.90 1r27 s THR 1188Ca 0.48 -1.89 -0.23 0.00 -1.18 0.00 0.00 61.69 58.87 1r27 s THR 1188Cb 0.26 -2.89 0.06 0.00 1.34 0.00 0.00 72.50 71.27 1r27 s THR 1188CO 0.31 -0.11 0.58 -0.60 -0.54 0.00 0.00 174.62 174.26 1r27 s ARG 1189N -3.77 0.82 0.18 3.99 3.52 -1.26 -2.68 118.95 119.74 1r27 s ARG 1189Ca 0.37 0.49 -0.30 0.00 -0.13 0.00 0.00 55.73 56.15 1r27 s ARG 1189Cb 0.02 0.39 -0.08 0.00 -1.56 0.00 0.00 34.95 33.72 1r27 s ARG 1189CO 0.20 -0.18 1.31 0.42 -0.81 0.00 0.00 175.30 176.24 1r27 s ILE 1190N -0.44 3.28 -0.24 4.11 1.01 -1.26 -4.89 121.20 122.77 1r27 s ILE 1190Ca -0.06 1.03 -0.04 0.00 0.00 0.00 0.00 60.65 61.58 1r27 s ILE 1190Cb -0.03 -3.66 0.09 0.00 0.01 0.00 0.00 42.46 38.88 1r27 s ILE 1190CO 0.04 0.14 0.16 -0.89 0.00 0.00 0.00 174.94 174.40 1r27 s THR 1191N 0.28 -0.17 0.94 2.92 2.01 -1.26 -4.84 115.64 115.51 1r27 s THR 1191Ca 0.58 -0.43 -0.13 0.00 0.31 0.00 0.00 61.69 62.01 1r27 s THR 1191Cb -0.36 -0.81 0.15 0.00 0.01 0.00 0.00 72.50 71.49 1r27 s THR 1191CO 0.37 -0.47 1.15 -2.16 -0.69 0.00 0.00 174.62 172.81 1r27 s PRO 1192N 2.19 0.93 -0.09 4.92 0.04 -1.26 -4.83 135.00 136.89 1r27 s PRO 1192Ca 0.07 0.23 0.01 0.00 0.04 0.00 0.00 61.00 61.34 1r27 s PRO 1192Cb -0.16 -1.82 0.02 0.00 0.04 0.00 0.00 34.50 32.58 1r27 s PRO 1192CO -0.24 -2.33 -0.10 0.21 0.04 0.00 0.00 177.00 174.58 1r27 s LYS 1193N -5.32 1.65 0.35 4.56 2.20 -1.26 -5.05 119.74 116.87 1r27 s LYS 1193Ca 0.65 -0.34 0.13 0.00 -0.36 0.00 0.00 55.97 56.04 1r27 s LYS 1193Cb -0.14 -1.54 0.96 0.00 -1.51 0.00 0.00 37.83 35.60 1r27 s LYS 1193CO 0.54 -0.13 1.75 -1.35 -0.36 0.00 0.00 175.35 175.79 1r27 h PRO 1194N 7.62 0.51 0.00 4.03 0.11 -1.98 -1.32 132.00 140.97 1r27 h PRO 1194Ca -0.31 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1r27 h PRO 1194Cb 1.16 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1r27 h PRO 1194CO 0.45 0.34 0.00 1.79 -0.21 0.00 0.00 178.00 180.36 1r27 h THR 1195N 0.52 0.00 -0.25 -1.15 1.35 -1.97 -0.05 112.91 111.36 1r27 h THR 1195Ca 0.63 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 66.37 1r27 h THR 1195Cb 1.31 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 1r27 h THR 1195CO -0.41 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.27 1r27 n HIS 1196N -2.54 0.32 0.62 4.73 8.25 -0.50 -3.73 115.22 122.38 1r27 n HIS 1196Ca -0.01 -0.16 0.07 0.00 -0.26 0.00 0.00 57.72 57.36 1r27 n HIS 1196Cb 0.12 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.21 1r27 n HIS 1196CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1r27 n MET 1197N 0.69 2.02 -1.96 -0.41 2.81 -0.03 -2.97 117.12 117.26 1r27 n MET 1197Ca 0.17 -0.55 -0.41 0.00 -1.81 0.00 0.00 57.70 55.09 1r27 n MET 1197Cb 0.41 -1.19 -0.02 0.00 -0.71 0.00 0.00 33.22 31.72 1r27 n MET 1197CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1r27 s ILE 1198N -1.85 2.43 0.18 2.02 1.01 -1.23 -4.56 121.20 119.20 1r27 s ILE 1198Ca 0.10 0.40 -0.00 0.00 0.00 0.00 0.00 60.65 61.15 1r27 s ILE 1198Cb 0.11 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1r27 s ILE 1198CO 0.40 0.08 0.23 0.61 0.00 0.00 0.00 174.94 176.27 1r27 n GLY 1199N 1.25 2.77 2.79 6.18 0.00 -1.24 -4.37 105.19 112.58 1r27 n GLY 1199Ca 0.03 -1.55 -0.18 0.00 0.00 0.00 0.00 46.02 44.32 1r27 n GLY 1199CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r27 n GLY 1200N -0.30 -0.50 2.30 -0.02 0.00 -1.15 -4.78 105.19 100.73 1r27 n GLY 1200Ca 0.01 0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1r27 n GLY 1200CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1r27 n TYR 1201N -3.83 -0.87 0.00 1.61 9.36 0.03 -2.51 117.16 120.95 1r27 n TYR 1201Ca -0.12 -3.27 0.00 0.00 3.32 0.00 0.00 57.90 57.84 1r27 n TYR 1201Cb 0.60 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.32 1r27 n TYR 1201CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1r27 n ALA 1202N 1.69 0.00 0.25 2.98 0.00 -0.42 -0.38 120.51 124.65 1r27 n ALA 1202Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.78 1r27 n ALA 1202Cb 0.53 0.00 0.65 0.00 0.00 0.00 0.00 19.45 20.64 1r27 n ALA 1202CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1r27 h HIS 1203N 0.00 0.00 -3.40 0.00 2.07 -1.89 -3.27 115.15 108.66 1r27 h HIS 1203Ca 0.00 0.00 -0.79 0.00 -2.85 0.00 0.00 60.37 56.73 1r27 h HIS 1203Cb 0.00 0.00 -0.29 0.00 2.57 0.00 0.00 27.41 29.69 1r27 h HIS 1203CO 0.00 0.14 0.42 1.28 -3.07 0.00 0.00 177.93 176.70 1r27 n LEU 1204N -3.45 5.47 -3.91 6.12 4.77 0.49 -4.74 117.00 121.75 1r27 n LEU 1204Ca -0.01 -5.09 -0.09 0.00 -0.03 0.00 0.00 56.01 50.80 1r27 n LEU 1204Cb 0.31 -1.38 -0.08 0.00 -2.33 0.00 0.00 43.42 39.93 1r27 n LEU 1204CO 0.30 1.45 -0.16 0.00 -1.33 0.00 0.00 177.39 177.65 1r27 s ALA 1205N -1.57 -0.10 0.66 -1.18 0.00 -1.24 -0.79 121.76 117.55 1r27 s ALA 1205Ca 0.31 -0.66 -0.15 0.00 0.00 0.00 0.00 51.96 51.46 1r27 s ALA 1205Cb -0.07 0.38 -0.00 0.00 0.00 0.00 0.00 23.12 23.43 1r27 s ALA 1205CO -0.06 -0.43 1.12 -0.47 0.00 0.00 0.00 175.76 175.92 1r27 s TYR 1206N -3.48 2.56 -0.28 0.00 5.04 -1.03 -4.37 117.35 115.78 1r27 s TYR 1206Ca 0.02 1.56 -0.20 0.00 -2.44 0.00 0.00 57.07 56.01 1r27 s TYR 1206Cb 0.04 -3.22 0.11 0.00 0.35 0.00 0.00 41.96 39.24 1r27 s TYR 1206CO -0.09 -1.79 0.90 0.20 -1.34 0.00 0.00 175.55 173.43 1r27 s GLY 1207N -2.43 -0.25 -0.13 8.97 0.00 -1.26 -0.46 107.32 111.76 1r27 s GLY 1207Ca 0.68 2.71 -0.33 0.00 0.00 0.00 0.00 44.72 47.79 1r27 s GLY 1207CO 0.40 2.22 2.00 0.33 0.00 0.00 0.00 173.10 178.06 1r27 n PHE 1208N 3.27 2.21 -0.85 1.90 7.35 -1.26 0.31 117.46 130.38 1r27 n PHE 1208Ca -0.16 -0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.47 1r27 n PHE 1208Cb 0.57 -2.69 0.00 0.00 0.35 0.00 0.00 39.48 37.72 1r27 n PHE 1208CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 1r27 n ASN 1209N 8.12 -1.72 -0.02 -2.13 5.03 -1.26 -4.84 115.26 118.45 1r27 n ASN 1209Ca 0.26 0.00 -0.20 0.00 0.87 0.00 0.00 54.58 55.51 1r27 n ASN 1209Cb 0.33 -1.49 -0.14 0.00 -1.02 0.00 0.00 39.78 37.46 1r27 n ASN 1209CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1r27 n TYR 1210N -2.20 1.07 -3.93 3.10 9.36 0.15 -4.67 117.16 120.04 1r27 n TYR 1210Ca 0.00 0.23 -0.09 0.00 3.32 0.00 0.00 57.90 61.36 1r27 n TYR 1210Cb 0.09 -1.14 -0.06 0.00 -0.63 0.00 0.00 39.34 37.60 1r27 n TYR 1210CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1r27 s TYR 1211N -2.56 0.29 0.00 2.98 5.04 -1.14 -4.78 117.35 117.18 1r27 s TYR 1211Ca -0.23 -0.64 0.00 0.00 -2.44 0.00 0.00 57.07 53.76 1r27 s TYR 1211Cb 0.07 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.48 1r27 s TYR 1211CO 0.75 -0.83 0.00 0.41 -1.34 0.00 0.00 175.55 174.54 1r27 n GLY 1212N -0.29 3.29 3.76 8.97 0.00 -1.19 -4.65 105.19 115.08 1r27 n GLY 1212Ca -0.06 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 1r27 n GLY 1212CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r27 s THR 1213N -2.03 2.51 0.20 2.61 -4.23 -1.16 -4.83 115.64 108.72 1r27 s THR 1213Ca 0.00 0.41 0.08 0.00 -1.18 0.00 0.00 61.69 60.99 1r27 s THR 1213Cb 0.00 -3.22 -0.04 0.00 1.34 0.00 0.00 72.50 70.58 1r27 s THR 1213CO 0.00 0.02 0.02 0.68 -0.54 0.00 0.00 174.62 174.80 1r27 s VAL 1214N -1.35 3.77 -1.23 2.29 -7.23 -1.26 -4.26 120.40 111.13 1r27 s VAL 1214Ca 0.64 -1.49 -0.06 0.00 -1.81 0.00 0.00 61.98 59.27 1r27 s VAL 1214Cb -0.37 -2.93 0.09 0.00 0.56 0.00 0.00 36.38 33.73 1r27 s VAL 1214CO 0.45 -0.17 2.51 0.61 -0.31 0.00 0.00 175.10 178.18 1r27 n GLY 1215N -0.35 5.00 3.61 2.32 0.00 -0.90 -4.79 105.19 110.07 1r27 n GLY 1215Ca -0.09 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 1r27 n GLY 1215CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r27 n SER 1216N 1.80 0.27 0.00 1.61 3.41 -1.26 -4.59 113.62 114.86 1r27 n SER 1216Ca 0.62 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 1r27 n SER 1216Cb 0.29 -1.40 0.00 0.00 -0.26 0.00 0.00 64.21 62.84 1r27 n SER 1216CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1r27 n ASN 1217N -2.06 0.00 0.06 4.04 6.94 -0.23 -4.84 115.26 119.17 1r27 n ASN 1217Ca 0.12 0.00 0.11 0.00 -0.02 0.00 0.00 54.58 54.80 1r27 n ASN 1217Cb 0.50 0.00 0.46 0.00 -2.36 0.00 0.00 39.78 38.38 1r27 n ASN 1217CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1r27 n ARG 1218N 0.00 0.12 0.19 -3.83 5.12 -0.36 -3.24 116.66 114.65 1r27 n ARG 1218Ca 0.00 0.23 0.14 0.00 -1.93 0.00 0.00 57.85 56.29 1r27 n ARG 1218Cb 0.00 -1.68 0.46 0.00 -1.16 0.00 0.00 32.46 30.08 1r27 n ARG 1218CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1r27 h ASP 1219N 0.00 0.00 -3.11 0.55 3.32 -1.87 -3.43 116.42 111.88 1r27 h ASP 1219Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1r27 h ASP 1219Cb 0.46 0.00 0.12 0.00 0.22 0.00 0.00 39.33 40.13 1r27 h ASP 1219CO 0.00 0.00 0.28 1.21 -1.72 0.00 0.00 179.24 179.01 1r27 n GLU 1220N -2.67 1.60 -4.46 3.56 4.07 -1.20 -4.80 120.64 116.75 1r27 n GLU 1220Ca 0.03 0.57 -0.25 0.00 -0.06 0.00 0.00 57.16 57.45 1r27 n GLU 1220Cb 0.36 -2.13 -0.13 0.00 -0.06 0.00 0.00 31.44 29.48 1r27 n GLU 1220CO 0.00 0.00 0.00 -0.06 -0.06 0.00 0.00 177.13 177.01 1r27 s PHE 1221N -1.19 1.84 0.17 4.31 0.40 -1.26 -0.95 117.98 121.30 1r27 s PHE 1221Ca 0.61 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.53 1r27 s PHE 1221Cb -0.57 -1.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 1r27 s PHE 1221CO 0.58 0.16 0.09 0.14 0.70 0.00 0.00 175.22 176.90 1r27 s VAL 1222N -0.99 0.06 -0.20 -0.44 -7.23 0.12 -4.67 120.40 107.05 1r27 s VAL 1222Ca 0.07 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.20 1r27 s VAL 1222Cb -0.09 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 1r27 s VAL 1222CO 0.03 -0.24 0.11 -0.69 -0.31 0.00 0.00 175.10 174.00 1r27 s VAL 1223N -4.09 5.15 -0.02 1.32 1.01 0.11 -0.25 120.40 123.62 1r27 s VAL 1223Ca 0.31 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.47 1r27 s VAL 1223Cb 0.07 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1r27 s VAL 1223CO 0.07 0.43 -0.25 -0.69 0.00 0.00 0.00 175.10 174.66 1r27 s VAL 1224N 0.47 2.11 0.14 2.92 1.01 0.71 -1.38 120.40 126.38 1r27 s VAL 1224Ca 0.06 -1.09 -0.21 0.00 0.00 0.00 0.00 61.98 60.74 1r27 s VAL 1224Cb -0.12 -1.73 0.06 0.00 0.00 0.00 0.00 36.38 34.59 1r27 s VAL 1224CO -0.00 0.58 0.54 0.00 0.00 0.00 0.00 175.10 176.22 1r27 s ARG 1225N -0.58 1.20 0.28 2.72 1.70 -0.90 -2.39 118.95 120.98 1r27 s ARG 1225Ca 0.09 -0.51 -0.29 0.00 -0.47 0.00 0.00 55.73 54.55 1r27 s ARG 1225Cb -0.10 0.55 -0.09 0.00 -0.57 0.00 0.00 34.95 34.73 1r27 s ARG 1225CO -0.01 -0.50 1.07 0.21 -1.08 0.00 0.00 175.30 174.99 1r27 s LYS 1226N -3.63 4.64 0.57 3.89 2.20 -1.26 -1.36 119.74 124.80 1r27 s LYS 1226Ca 0.01 1.73 -0.14 0.00 -0.36 0.00 0.00 55.97 57.21 1r27 s LYS 1226Cb -0.00 -3.15 -0.06 0.00 -1.51 0.00 0.00 37.83 33.11 1r27 s LYS 1226CO -0.12 0.24 1.01 -1.64 -0.36 0.00 0.00 175.35 174.49 1r27 s MET 1227N -1.48 3.72 0.00 4.03 -1.94 -0.17 -4.79 119.30 118.67 1r27 s MET 1227Ca 0.45 0.88 0.00 0.00 -1.71 0.00 0.00 55.69 55.31 1r27 s MET 1227Cb -0.30 -2.10 0.00 0.00 2.01 0.00 0.00 34.83 34.44 1r27 s MET 1227CO 0.38 -0.46 0.00 1.17 -0.01 0.00 0.00 175.02 176.10 1r27 n LYS 1228N -2.17 0.00 -3.12 2.03 3.00 -1.26 -4.59 118.16 112.05 1r27 n LYS 1228Ca 0.06 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.98 1r27 n LYS 1228Cb 0.54 -0.21 -0.05 0.00 0.00 0.00 0.00 35.03 35.31 1r27 n LYS 1228CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1r27 s ASN 1229N -3.29 6.77 -0.71 3.14 -0.87 -1.26 -0.73 114.94 117.98 1r27 s ASN 1229Ca 0.00 0.93 -0.08 0.00 -1.57 0.00 0.00 52.86 52.14 1r27 s ASN 1229Cb 0.00 -2.36 0.19 0.00 -0.02 0.00 0.00 41.25 39.06 1r27 s ASN 1229CO 0.00 -0.20 0.59 -0.63 -2.57 0.00 0.00 177.10 174.29 1r27 s ILE 1230N 1.47 4.60 -0.16 0.60 -1.09 0.07 -4.86 121.20 121.83 1r27 s ILE 1230Ca 0.31 -2.70 -0.05 0.00 -2.23 0.00 0.00 60.65 55.97 1r27 s ILE 1230Cb -0.16 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1r27 s ILE 1230CO 0.12 -0.94 0.01 -1.81 -1.23 0.00 0.00 174.94 171.08 1r27 s ASP 1231N 1.42 5.17 0.00 3.58 1.01 -1.26 -1.25 116.67 125.33 1r27 s ASP 1231Ca 0.17 -0.03 0.25 0.00 0.71 0.00 0.00 52.55 53.65 1r27 s ASP 1231Cb -0.16 -1.85 0.51 0.00 1.01 0.00 0.00 42.92 42.44 1r27 s ASP 1231CO -0.06 0.18 1.42 0.79 0.21 0.00 0.00 175.17 177.71 1r27 n TRP 1232N 3.47 0.00 -4.05 4.23 7.02 -1.26 0.11 117.44 126.95 1r27 n TRP 1232Ca -0.17 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 55.98 1r27 n TRP 1232Cb 0.52 -0.25 0.00 0.00 -2.42 0.00 0.00 31.31 29.17 1r27 n TRP 1232CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1r27 n LEU 1233N -1.48 -2.17 -0.02 -0.99 4.77 -1.26 -4.62 117.00 111.23 1r27 n LEU 1233Ca 0.06 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1r27 n LEU 1233Cb 0.34 -2.35 -0.00 0.00 -2.33 0.00 0.00 43.42 39.08 1r27 n LEU 1233CO 0.35 0.39 0.13 -0.90 -1.33 0.00 0.00 177.39 176.03 1r27 n ASP 1234N -2.75 0.55 0.00 -1.43 5.68 -1.26 -5.03 116.55 112.30 1r27 n ASP 1234Ca 0.06 -0.77 0.00 0.00 -0.50 0.00 0.00 54.79 53.57 1r27 n ASP 1234Cb 0.51 0.52 0.00 0.00 -1.14 0.00 0.00 41.12 41.01 1r27 n ASP 1234CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r27 n GLY 1235N 0.56 1.89 3.92 6.12 0.00 -1.26 -5.07 105.19 111.35 1r27 n GLY 1235Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1r27 n GLY 1235CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1r27 s GLU 1236N -0.97 2.43 -0.55 1.61 2.56 -1.26 -4.95 118.70 117.56 1r27 s GLU 1236Ca 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 54.97 54.83 1r27 s GLU 1236Cb 0.00 -2.18 0.42 0.00 2.00 0.00 0.00 34.13 34.36 1r27 s GLU 1236CO 0.00 -1.08 2.00 0.41 -0.56 0.00 0.00 175.26 176.03 1r27 n GLY 1237N -2.84 5.25 2.81 -1.50 0.00 -1.26 -4.69 105.19 102.96 1r27 n GLY 1237Ca 0.07 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 1r27 n GLY 1237CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1r27 n ASN 1238N -0.65 6.99 -4.89 1.61 4.13 -1.26 -5.02 115.26 116.17 1r27 n ASN 1238Ca 0.54 -3.79 -0.25 0.00 1.68 0.00 0.00 54.58 52.76 1r27 n ASN 1238Cb 0.76 -0.98 -0.04 0.00 -1.54 0.00 0.00 39.78 37.99 1r27 n ASN 1238CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1r27 s ASP 1239N -1.57 6.01 0.40 6.41 1.01 -1.26 -4.79 116.67 122.88 1r27 s ASP 1239Ca 0.49 0.04 0.05 0.00 0.71 0.00 0.00 52.55 53.84 1r27 s ASP 1239Cb 0.38 -1.72 -0.06 0.00 1.01 0.00 0.00 42.92 42.53 1r27 s ASP 1239CO -0.33 0.04 0.03 -1.10 0.21 0.00 0.00 175.17 174.02 1r27 s GLN 1240N -3.28 1.92 -0.05 8.23 1.11 -0.38 -5.01 119.66 122.20 1r27 s GLN 1240Ca 0.33 -2.11 -0.02 0.00 0.01 0.00 0.00 55.36 53.58 1r27 s GLN 1240Cb -0.10 -1.39 0.03 0.00 -1.01 0.00 0.00 33.01 30.54 1r27 s GLN 1240CO 0.27 -0.14 0.08 0.08 0.01 0.00 0.00 175.29 175.58 1r27 s VAL 1241N -2.90 -0.12 0.00 1.09 1.01 -1.26 -0.75 120.40 117.47 1r27 s VAL 1241Ca 0.31 0.36 -0.21 0.00 0.00 0.00 0.00 61.98 62.44 1r27 s VAL 1241Cb 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 36.38 36.24 1r27 s VAL 1241CO 0.15 0.15 0.63 -1.10 0.00 0.00 0.00 175.10 174.93 1r27 s GLN 1242N 1.92 4.35 0.39 2.72 -0.21 0.09 -5.00 119.66 123.92 1r27 s GLN 1242Ca 0.01 0.79 -0.27 0.00 0.02 0.00 0.00 55.36 55.91 1r27 s GLN 1242Cb -0.12 -3.35 -0.11 0.00 1.00 0.00 0.00 33.01 30.43 1r27 s GLN 1242CO -0.04 0.34 1.43 0.39 -2.12 0.00 0.00 175.29 175.29 1r27 n GLU 1243N 2.79 2.46 -0.72 2.91 1.02 -1.26 -4.77 120.64 123.07 1r27 n GLU 1243Ca -0.06 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 1r27 n GLU 1243Cb 0.51 -2.59 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 1r27 n GLU 1243CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1r27 n SER 1244N 0.35 -1.93 -0.11 1.62 3.41 -1.26 -5.00 113.62 110.70 1r27 n SER 1244Ca 0.03 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.44 1r27 n SER 1244Cb 0.39 -0.48 -0.09 0.00 -0.26 0.00 0.00 64.21 63.77 1r27 n SER 1244CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1r27 n VAL 1245N -2.93 1.21 -0.67 -3.33 0.31 -1.26 -5.12 118.33 106.55 1r27 n VAL 1245Ca 0.00 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.96 1r27 n VAL 1245Cb 0.00 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 1r27 n VAL 1245CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80