#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r27 s LYS 2 N 0.00 0.02 -0.07 3.17 2.47 -1.26 -4.97 119.74 119.10 1r27 s LYS 2 Ca 0.00 0.09 -0.26 0.00 -1.56 0.00 0.00 55.97 54.24 1r27 s LYS 2 Cb 0.00 -1.35 -0.03 0.00 -1.46 0.00 0.00 37.83 34.99 1r27 s LYS 2 CO 0.00 -0.56 0.84 0.42 0.16 0.00 0.00 175.35 176.21 1r27 s ILE 3 N 2.16 4.94 0.10 5.43 -1.09 -1.26 0.00 121.20 131.48 1r27 s ILE 3 Ca 0.03 1.72 0.03 0.00 -2.23 0.00 0.00 60.65 60.20 1r27 s ILE 3 Cb -0.15 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 1r27 s ILE 3 CO -0.07 0.16 -0.10 -0.13 -1.23 0.00 0.00 174.94 173.58 1r27 s ARG 4 N 1.19 0.84 0.16 2.79 0.52 -0.40 -4.89 118.95 119.17 1r27 s ARG 4 Ca 0.43 -1.18 0.10 0.00 -0.52 0.00 0.00 55.73 54.56 1r27 s ARG 4 Cb -0.19 -0.49 -0.04 0.00 0.52 0.00 0.00 34.95 34.75 1r27 s ARG 4 CO 0.20 0.07 -0.18 -1.54 0.02 0.00 0.00 175.30 173.87 1r27 s SER 5 N -2.52 3.83 -0.16 0.23 1.04 -1.26 -1.12 113.70 113.73 1r27 s SER 5 Ca 0.06 -0.66 -0.21 0.00 0.48 0.00 0.00 55.95 55.61 1r27 s SER 5 Cb -0.02 -0.49 0.05 0.00 0.10 0.00 0.00 66.02 65.66 1r27 s SER 5 CO -0.00 0.14 0.56 -1.58 0.98 0.00 0.00 173.24 173.34 1r27 s GLN 6 N -2.48 0.74 -0.45 4.02 0.74 -0.89 -3.73 119.66 117.60 1r27 s GLN 6 Ca 0.20 0.59 -0.26 0.00 0.05 0.00 0.00 55.36 55.95 1r27 s GLN 6 Cb -0.09 0.35 0.03 0.00 1.10 0.00 0.00 33.01 34.40 1r27 s GLN 6 CO 0.11 -0.14 0.95 0.08 -0.55 0.00 0.00 175.29 175.75 1r27 s VAL 7 N -0.14 4.46 0.53 1.34 1.01 -1.25 -0.85 120.40 125.49 1r27 s VAL 7 Ca -0.03 0.86 -0.05 0.00 0.00 0.00 0.00 61.98 62.76 1r27 s VAL 7 Cb -0.03 -4.44 -0.01 0.00 0.00 0.00 0.00 36.38 31.90 1r27 s VAL 7 CO 0.03 -0.82 0.83 -0.83 0.00 0.00 0.00 175.10 174.31 1r27 s GLY 8 N 2.24 1.57 -0.01 4.51 0.00 0.94 -4.86 107.32 111.70 1r27 s GLY 8 Ca 0.38 -0.71 0.03 0.00 0.00 0.00 0.00 44.72 44.43 1r27 s GLY 8 CO 0.26 -0.48 -0.10 -0.29 0.00 0.00 0.00 173.10 172.49 1r27 s MET 9 N -4.84 0.81 -0.05 2.90 0.00 -1.08 -2.33 119.30 114.71 1r27 s MET 9 Ca 0.51 -0.35 0.03 0.00 0.00 0.00 0.00 55.69 55.89 1r27 s MET 9 Cb -0.10 -0.78 0.00 0.00 0.00 0.00 0.00 34.83 33.95 1r27 s MET 9 CO 0.44 0.20 -0.15 0.08 0.00 0.00 0.00 175.02 175.59 1r27 s VAL 10 N -0.20 1.28 -0.19 10.11 1.01 -0.58 -0.79 120.40 131.04 1r27 s VAL 10 Ca 0.03 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 1r27 s VAL 10 Cb -0.04 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 1r27 s VAL 10 CO -0.00 0.38 -0.07 -0.76 0.00 0.00 0.00 175.10 174.65 1r27 s LEU 11 N 0.25 2.87 -0.81 3.92 2.01 0.12 -0.80 118.68 126.23 1r27 s LEU 11 Ca -0.07 -0.36 -0.21 0.00 0.01 0.00 0.00 54.13 53.50 1r27 s LEU 11 Cb -0.12 -1.71 0.09 0.00 0.01 0.00 0.00 46.19 44.46 1r27 s LEU 11 CO 0.03 0.04 1.08 0.21 1.01 0.00 0.00 176.35 178.72 1r27 s ASN 12 N 1.10 6.40 0.63 2.29 3.84 -0.27 -1.19 114.94 127.74 1r27 s ASN 12 Ca 0.01 -1.49 0.40 0.00 0.21 0.00 0.00 52.86 51.99 1r27 s ASN 12 Cb -0.15 -2.43 2.09 0.00 -0.55 0.00 0.00 41.25 40.22 1r27 s ASN 12 CO -0.01 -1.29 2.27 -0.07 -2.79 0.00 0.00 177.10 175.21 1r27 h LEU 13 N 11.09 0.00 -1.48 3.21 3.38 -1.62 -1.32 115.31 128.57 1r27 h LEU 13 Ca -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1r27 h LEU 13 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1r27 h LEU 13 CO 1.17 0.01 -0.24 -0.78 0.09 0.00 0.00 178.44 178.70 1r27 h ASP 14 N 0.00 0.03 0.06 -0.43 3.58 -1.71 -2.85 116.42 115.09 1r27 h ASP 14 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1r27 h ASP 14 Cb 0.13 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1r27 h ASP 14 CO 0.00 0.27 -0.86 0.29 -2.88 0.00 0.00 179.24 176.06 1r27 n LYS 15 N -4.24 0.18 -2.01 0.28 5.02 -0.52 -4.79 118.16 112.08 1r27 n LYS 15 Ca -0.02 -0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 55.71 1r27 n LYS 15 Cb 0.30 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1r27 n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1r27 n ILE 17 N 2.91 0.92 -3.68 0.00 -5.35 -1.26 -4.88 119.36 108.02 1r27 n ILE 17 Ca 0.09 -0.96 -0.25 0.00 -0.27 0.00 0.00 62.75 61.35 1r27 n ILE 17 Cb 0.40 0.56 0.06 0.00 -1.74 0.00 0.00 39.64 38.92 1r27 n ILE 17 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1r27 n GLY 18 N 0.62 -0.52 0.15 3.28 0.00 -1.26 -4.93 105.19 102.52 1r27 n GLY 18 Ca 0.12 0.23 0.07 0.00 0.00 0.00 0.00 46.02 46.44 1r27 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r27 n HIS 20 N -3.00 0.00 -0.20 0.00 8.25 -1.26 -4.87 115.22 114.14 1r27 n HIS 20 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 1r27 n HIS 20 Cb 0.65 -0.83 0.37 0.00 1.12 0.00 0.00 29.99 31.30 1r27 n HIS 20 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1r27 h THR 21 N 0.00 0.96 -0.43 1.59 2.02 -1.93 0.59 112.91 115.71 1r27 h THR 21 Ca 0.00 -0.24 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 1r27 h THR 21 Cb 0.37 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.95 1r27 h THR 21 CO 0.00 0.13 0.21 0.00 0.37 0.00 0.00 175.52 176.23 1r27 h SER 23 N 0.60 0.71 -0.40 0.00 0.02 -1.13 -2.96 113.55 110.38 1r27 h SER 23 Ca 0.15 -0.64 -0.05 0.00 -0.84 0.00 0.00 61.79 60.41 1r27 h SER 23 Cb 0.06 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1r27 h SER 23 CO -0.02 1.23 0.05 0.58 -1.14 0.00 0.00 176.83 177.53 1r27 h VAL 24 N 0.23 1.25 -0.42 2.27 2.07 -1.18 -1.76 116.25 118.69 1r27 h VAL 24 Ca -0.04 -0.90 -0.10 0.00 0.82 0.00 0.00 66.70 66.49 1r27 h VAL 24 Cb 1.22 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1r27 h VAL 24 CO 0.12 0.31 -0.13 0.71 0.02 0.00 0.00 177.57 178.60 1r27 h THR 25 N 0.51 1.26 -0.42 2.57 1.35 -1.46 -1.19 112.91 115.53 1r27 h THR 25 Ca 0.12 -1.20 -0.08 0.00 -0.55 0.00 0.00 66.41 64.70 1r27 h THR 25 Cb 0.39 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1r27 h THR 25 CO 0.01 0.41 -0.06 0.00 -0.25 0.00 0.00 175.52 175.63 1r27 h LYS 27 N 0.62 -0.23 -1.00 0.00 3.64 -1.11 0.72 116.57 119.20 1r27 h LYS 27 Ca 0.11 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.63 1r27 h LYS 27 Cb 0.58 0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.36 1r27 h LYS 27 CO 0.03 -0.15 0.63 -0.91 -2.27 0.00 0.00 179.45 176.78 1r27 h ASN 28 N -0.24 0.91 0.00 4.20 2.35 -1.22 -1.17 115.58 120.42 1r27 h ASN 28 Ca -0.02 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1r27 h ASN 28 Cb 0.18 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 1r27 h ASN 28 CO 0.04 0.47 -0.16 0.58 -1.65 0.00 0.00 177.43 176.72 1r27 h VAL 29 N 0.98 0.92 0.00 2.81 2.07 -1.27 -3.42 116.25 118.33 1r27 h VAL 29 Ca 0.50 -1.73 -0.20 0.00 0.82 0.00 0.00 66.70 66.09 1r27 h VAL 29 Cb 0.51 1.78 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1r27 h VAL 29 CO -0.27 0.31 -2.07 0.79 0.02 0.00 0.00 177.57 176.35 1r27 n TRP 30 N -4.66 0.18 -2.21 1.57 7.02 0.23 -4.72 117.44 114.86 1r27 n TRP 30 Ca -0.08 0.06 -0.07 0.00 -1.02 0.00 0.00 57.50 56.39 1r27 n TRP 30 Cb 0.30 -0.84 0.07 0.00 -2.42 0.00 0.00 31.31 28.43 1r27 n TRP 30 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1r27 n THR 31 N -2.60 1.73 -2.47 -0.99 -2.24 -0.49 -4.85 114.28 102.37 1r27 n THR 31 Ca -0.18 -3.15 -0.41 0.00 -2.27 0.00 0.00 64.05 58.04 1r27 n THR 31 Cb 0.89 0.03 0.01 0.00 -2.10 0.00 0.00 70.33 69.16 1r27 n THR 31 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1r27 n SER 32 N -0.58 7.50 -3.96 3.42 7.64 -0.89 -4.22 113.62 122.53 1r27 n SER 32 Ca 0.23 -3.52 -0.09 0.00 1.01 0.00 0.00 58.87 56.49 1r27 n SER 32 Cb 0.89 -1.23 -0.11 0.00 -1.01 0.00 0.00 64.21 62.75 1r27 n SER 32 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1r27 s ARG 33 N -3.37 0.28 0.20 1.43 0.52 -1.26 -5.05 118.95 111.70 1r27 s ARG 33 Ca 0.43 -0.53 -0.31 0.00 -0.52 0.00 0.00 55.73 54.80 1r27 s ARG 33 Cb 0.18 0.10 -0.10 0.00 0.52 0.00 0.00 34.95 35.65 1r27 s ARG 33 CO -0.11 -0.05 1.55 -2.00 0.02 0.00 0.00 175.30 174.71 1r27 s GLU 34 N -1.29 4.21 0.00 3.54 2.12 -1.26 -2.00 118.70 124.03 1r27 s GLU 34 Ca -0.14 2.38 0.00 0.00 0.36 0.00 0.00 54.97 57.57 1r27 s GLU 34 Cb -0.09 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.17 1r27 s GLU 34 CO -0.01 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.55 1r27 n GLY 35 N 3.24 1.87 0.19 -1.50 0.00 -1.26 -4.66 105.19 103.07 1r27 n GLY 35 Ca 0.12 -0.34 0.04 0.00 0.00 0.00 0.00 46.02 45.84 1r27 n GLY 35 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1r27 n VAL 36 N 0.00 0.91 0.25 1.61 0.24 -0.91 -2.71 118.33 117.72 1r27 n VAL 36 Ca 0.00 -1.06 0.08 0.00 -2.04 0.00 0.00 64.34 61.31 1r27 n VAL 36 Cb 0.00 0.26 0.62 0.00 -1.47 0.00 0.00 33.84 33.25 1r27 n VAL 36 CO 0.00 0.00 0.00 1.05 -2.14 0.00 0.00 176.83 175.74 1r27 h GLU 37 N 0.00 0.02 -0.00 7.34 9.09 -1.57 -0.40 114.58 129.06 1r27 h GLU 37 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1r27 h GLU 37 Cb 1.05 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.15 1r27 h GLU 37 CO 0.00 0.03 -0.28 2.48 0.05 0.00 0.00 179.01 181.29 1r27 n TYR 38 N -4.52 0.00 -3.26 2.06 0.18 -1.26 -4.86 117.16 105.50 1r27 n TYR 38 Ca -0.03 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.37 1r27 n TYR 38 Cb 0.10 -0.32 -0.06 0.00 -0.38 0.00 0.00 39.34 38.69 1r27 n TYR 38 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1r27 s ALA 39 N -2.92 3.47 -0.47 -3.48 0.00 -0.16 -4.96 121.76 113.24 1r27 s ALA 39 Ca 0.14 -0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.05 1r27 s ALA 39 Cb 0.18 -2.70 0.13 0.00 0.00 0.00 0.00 23.12 20.73 1r27 s ALA 39 CO 0.61 0.06 0.23 -1.58 0.00 0.00 0.00 175.76 175.08 1r27 s TRP 40 N 0.31 2.91 0.36 0.00 0.52 -1.26 -4.93 118.94 116.85 1r27 s TRP 40 Ca 0.29 -2.93 0.17 0.00 0.02 0.00 0.00 56.10 53.64 1r27 s TRP 40 Cb -0.16 -2.58 1.12 0.00 -1.15 0.00 0.00 33.47 30.70 1r27 s TRP 40 CO 0.13 -0.78 1.67 0.74 0.02 0.00 0.00 176.95 178.74 1r27 h PHE 41 N 6.73 0.86 -3.23 -1.98 0.05 -1.93 -3.30 116.94 114.13 1r27 h PHE 41 Ca -0.06 0.03 -0.67 0.00 3.82 0.00 0.00 57.97 61.09 1r27 h PHE 41 Cb 0.92 -0.23 -0.33 0.00 2.00 0.00 0.00 35.95 38.31 1r27 h PHE 41 CO 0.50 -0.14 -0.86 1.21 -0.18 0.00 0.00 178.31 178.83 1r27 s ASN 42 N -4.90 3.19 0.03 2.17 2.47 -1.26 -4.27 114.94 112.38 1r27 s ASN 42 Ca -0.10 -0.58 0.01 0.00 0.42 0.00 0.00 52.86 52.61 1r27 s ASN 42 Cb 0.29 -1.46 -0.02 0.00 -1.45 0.00 0.00 41.25 38.61 1r27 s ASN 42 CO 0.79 0.09 -0.05 0.54 -3.72 0.00 0.00 177.10 174.76 1r27 s ASN 43 N 0.75 0.51 -0.13 -4.21 4.22 -0.62 -4.52 114.94 110.94 1r27 s ASN 43 Ca -0.08 -0.58 0.00 0.00 -2.14 0.00 0.00 52.86 50.06 1r27 s ASN 43 Cb -0.16 0.09 -0.01 0.00 1.28 0.00 0.00 41.25 42.44 1r27 s ASN 43 CO -0.00 -0.30 -0.14 -0.69 -2.04 0.00 0.00 177.10 173.93 1r27 s VAL 44 N -1.73 2.98 -0.05 3.54 1.01 -1.26 -0.97 120.40 123.91 1r27 s VAL 44 Ca -0.11 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1r27 s VAL 44 Cb -0.08 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1r27 s VAL 44 CO -0.01 0.53 -0.19 -1.61 0.00 0.00 0.00 175.10 173.82 1r27 s GLU 45 N 0.36 2.54 -0.09 2.72 2.02 -0.48 -4.89 118.70 120.87 1r27 s GLU 45 Ca -0.11 -0.78 -0.18 0.00 0.02 0.00 0.00 54.97 53.92 1r27 s GLU 45 Cb -0.16 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 1r27 s GLU 45 CO 0.06 0.52 0.47 0.99 0.02 0.00 0.00 175.26 177.32 1r27 s THR 46 N -0.47 5.15 0.03 3.63 2.01 -1.26 0.29 115.64 125.02 1r27 s THR 46 Ca 0.06 0.95 0.05 0.00 0.31 0.00 0.00 61.69 63.06 1r27 s THR 46 Cb -0.12 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 1r27 s THR 46 CO 0.01 0.37 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.68 1r27 s LYS 47 N 0.34 2.37 0.52 4.92 -0.14 -0.25 -3.84 119.74 123.65 1r27 s LYS 47 Ca 0.26 -0.84 -0.22 0.00 -1.36 0.00 0.00 55.97 53.81 1r27 s LYS 47 Cb -0.15 -2.40 -0.06 0.00 -1.68 0.00 0.00 37.83 33.54 1r27 s LYS 47 CO 0.11 0.57 1.31 -2.14 -0.76 0.00 0.00 175.35 174.44 1r27 s PRO 48 N -1.61 3.32 0.00 -1.68 0.02 -1.26 -1.86 135.00 131.93 1r27 s PRO 48 Ca 0.18 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1r27 s PRO 48 Cb -0.11 -2.31 0.00 0.00 0.02 0.00 0.00 34.50 32.10 1r27 s PRO 48 CO 0.09 -1.01 0.00 0.41 -0.33 0.00 0.00 177.00 176.16 1r27 n GLY 49 N 0.65 0.99 0.02 0.52 0.00 -1.18 -4.84 105.19 101.34 1r27 n GLY 49 Ca 0.09 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.30 1r27 n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1r27 n GLN 50 N -0.38 0.44 0.00 1.61 6.02 -1.26 -4.40 117.38 119.41 1r27 n GLN 50 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.90 1r27 n GLN 50 Cb 0.00 -1.56 0.00 0.00 1.02 0.00 0.00 30.24 29.70 1r27 n GLN 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1r27 n GLY 51 N 1.32 -1.52 2.91 1.08 0.00 -1.26 -0.53 105.19 107.20 1r27 n GLY 51 Ca -0.01 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 1r27 n GLY 51 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1r27 s PHE 52 N 0.00 2.05 0.79 1.61 5.36 -1.26 -2.33 117.98 124.20 1r27 s PHE 52 Ca 0.00 -1.43 -0.11 0.00 -0.96 0.00 0.00 56.93 54.42 1r27 s PHE 52 Cb 0.00 -1.45 0.06 0.00 -0.34 0.00 0.00 43.02 41.29 1r27 s PHE 52 CO 0.00 -0.71 1.09 -1.25 -1.46 0.00 0.00 175.22 172.90 1r27 s PRO 53 N 1.51 2.18 -0.29 10.12 0.04 -1.26 -4.90 135.00 142.40 1r27 s PRO 53 Ca -0.03 0.70 -0.37 0.00 0.04 0.00 0.00 61.00 61.34 1r27 s PRO 53 Cb -0.17 -1.92 -0.13 0.00 0.04 0.00 0.00 34.50 32.31 1r27 s PRO 53 CO -0.07 -1.57 1.97 2.41 0.04 0.00 0.00 177.00 179.78 1r27 n THR 54 N -3.41 0.29 -2.48 1.26 -1.04 0.09 -1.83 114.28 107.15 1r27 n THR 54 Ca 0.07 -0.14 -0.10 0.00 -2.04 0.00 0.00 64.05 61.84 1r27 n THR 54 Cb 0.56 -1.46 0.01 0.00 -1.82 0.00 0.00 70.33 67.62 1r27 n THR 54 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1r27 n ASP 55 N 7.55 -3.50 0.14 8.00 2.03 0.31 -4.92 116.55 126.16 1r27 n ASP 55 Ca 0.33 -0.10 0.18 0.00 0.52 0.00 0.00 54.79 55.73 1r27 n ASP 55 Cb 0.19 -2.51 0.77 0.00 -0.72 0.00 0.00 41.12 38.85 1r27 n ASP 55 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 1r27 h TRP 56 N -0.45 0.00 0.00 -0.67 5.08 -1.44 -1.00 115.95 117.46 1r27 h TRP 56 Ca -0.24 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.73 1r27 h TRP 56 Cb 1.17 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.33 1r27 h TRP 56 CO 0.24 0.00 0.00 0.39 -1.28 0.00 0.00 178.44 177.79 1r27 n GLU 57 N -3.97 0.18 -2.72 0.12 1.02 -1.26 -4.49 120.64 109.52 1r27 n GLU 57 Ca 0.04 0.33 -0.42 0.00 -0.02 0.00 0.00 57.16 57.09 1r27 n GLU 57 Cb 0.42 -1.80 -0.03 0.00 -0.02 0.00 0.00 31.44 30.02 1r27 n GLU 57 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1r27 s ASN 58 N -4.13 6.45 0.27 1.62 3.04 -0.38 -4.83 114.94 116.99 1r27 s ASN 58 Ca 0.07 -1.45 0.25 0.00 0.04 0.00 0.00 52.86 51.76 1r27 s ASN 58 Cb 0.11 -2.49 0.95 0.00 -1.54 0.00 0.00 41.25 38.27 1r27 s ASN 58 CO 0.44 -1.40 1.75 1.56 -3.04 0.00 0.00 177.10 176.41 1r27 h GLN 59 N 9.48 0.00 0.00 0.43 1.08 -1.86 -1.88 115.11 122.36 1r27 h GLN 59 Ca 0.06 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.17 1r27 h GLN 59 Cb 1.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.45 1r27 h GLN 59 CO 1.27 0.00 -0.40 0.93 -0.95 0.00 0.00 178.83 179.68 1r27 h GLU 60 N 0.00 0.00 0.02 1.46 3.07 -1.94 0.42 114.58 117.60 1r27 h GLU 60 Ca 0.00 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.66 1r27 h GLU 60 Cb 0.50 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 1r27 h GLU 60 CO 0.00 0.40 -1.11 -0.22 -1.40 0.00 0.00 179.01 176.69 1r27 h LYS 61 N 0.00 0.03 0.00 2.33 3.64 -1.80 -3.40 116.57 117.37 1r27 h LYS 61 Ca -0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1r27 h LYS 61 Cb 0.91 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1r27 h LYS 61 CO 0.05 1.03 -1.02 0.66 -2.27 0.00 0.00 179.45 177.90 1r27 n TYR 62 N -4.37 0.22 -3.00 1.91 4.02 -0.76 -4.94 117.16 110.24 1r27 n TYR 62 Ca -0.28 0.07 -0.19 0.00 -0.01 0.00 0.00 57.90 57.49 1r27 n TYR 62 Cb 0.69 -0.39 0.04 0.00 -0.02 0.00 0.00 39.34 39.65 1r27 n TYR 62 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1r27 n LYS 63 N -1.91 -4.63 -2.70 -0.72 4.76 0.15 -4.82 118.16 108.29 1r27 n LYS 63 Ca 0.02 0.73 -0.23 0.00 -2.87 0.00 0.00 58.31 55.96 1r27 n LYS 63 Cb 0.43 -5.26 0.03 0.00 -1.84 0.00 0.00 35.03 28.39 1r27 n LYS 63 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1r27 s GLY 64 N -2.89 1.69 0.00 0.72 0.00 -1.22 -3.35 107.32 102.28 1r27 s GLY 64 Ca 0.30 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.92 1r27 s GLY 64 CO 0.38 -0.86 0.00 0.61 0.00 0.00 0.00 173.10 173.23 1r27 n GLY 65 N -2.33 -1.98 3.68 0.20 0.00 0.74 -4.66 105.19 100.86 1r27 n GLY 65 Ca 0.05 -1.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 1r27 n GLY 65 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1r27 s TRP 66 N 0.00 2.71 0.07 1.61 0.52 -0.98 -0.97 118.94 121.89 1r27 s TRP 66 Ca 0.00 -0.28 0.06 0.00 0.02 0.00 0.00 56.10 55.89 1r27 s TRP 66 Cb 0.00 -1.37 -0.03 0.00 -1.15 0.00 0.00 33.47 30.92 1r27 s TRP 66 CO 0.00 0.51 -0.16 0.96 0.02 0.00 0.00 176.95 178.29 1r27 s ILE 67 N -2.36 1.23 -0.27 2.03 -5.25 -0.06 -4.67 121.20 111.85 1r27 s ILE 67 Ca 0.34 -1.26 -0.12 0.00 -0.99 0.00 0.00 60.65 58.61 1r27 s ILE 67 Cb -0.05 -1.15 -0.05 0.00 2.95 0.00 0.00 42.46 44.17 1r27 s ILE 67 CO 0.21 -0.12 0.26 -0.60 -1.79 0.00 0.00 174.94 172.89 1r27 s ARG 68 N -1.59 3.99 0.69 0.37 3.52 -1.26 -1.82 118.95 122.84 1r27 s ARG 68 Ca 0.01 -0.18 -0.11 0.00 -0.13 0.00 0.00 55.73 55.32 1r27 s ARG 68 Cb -0.09 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.65 1r27 s ARG 68 CO 0.02 -0.20 1.06 0.15 -0.81 0.00 0.00 175.30 175.53 1r27 s LYS 69 N 1.81 2.99 0.50 5.12 1.02 0.60 -4.90 119.74 126.89 1r27 s LYS 69 Ca 0.10 0.86 0.22 0.00 0.02 0.00 0.00 55.97 57.17 1r27 s LYS 69 Cb -0.16 -2.00 1.28 0.00 -0.52 0.00 0.00 37.83 36.43 1r27 s LYS 69 CO 0.10 -1.04 1.98 0.82 -0.92 0.00 0.00 175.35 176.29 1r27 h ILE 70 N -0.67 0.76 0.00 2.17 1.08 -1.98 0.56 117.51 119.44 1r27 h ILE 70 Ca -0.44 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1r27 h ILE 70 Cb 1.21 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 35.58 1r27 h ILE 70 CO 0.58 0.02 0.00 -0.46 -0.69 0.00 0.00 178.15 177.61 1r27 n ASN 71 N -4.41 0.00 0.00 1.72 6.94 -1.26 -4.87 115.26 113.38 1r27 n ASN 71 Ca 0.11 -1.16 0.00 0.00 -0.02 0.00 0.00 54.58 53.51 1r27 n ASN 71 Cb 0.56 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 1r27 n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1r27 n GLY 72 N 0.85 0.76 3.90 4.83 0.00 0.20 -5.04 105.19 110.69 1r27 n GLY 72 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 1r27 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 s LYS 73 N -0.20 3.54 0.35 1.61 -0.14 -1.25 -4.78 119.74 118.87 1r27 s LYS 73 Ca 0.00 -0.22 -0.12 0.00 -1.36 0.00 0.00 55.97 54.26 1r27 s LYS 73 Cb 0.00 -2.97 -0.08 0.00 -1.68 0.00 0.00 37.83 33.11 1r27 s LYS 73 CO 0.00 0.56 0.73 -0.51 -0.76 0.00 0.00 175.35 175.37 1r27 s LEU 74 N -2.43 3.97 -0.12 3.17 1.43 -1.26 -0.29 118.68 123.14 1r27 s LEU 74 Ca 0.36 1.17 -0.16 0.00 -1.03 0.00 0.00 54.13 54.47 1r27 s LEU 74 Cb -0.13 -4.01 0.04 0.00 0.03 0.00 0.00 46.19 42.13 1r27 s LEU 74 CO 0.24 -0.28 0.43 -1.58 0.23 0.00 0.00 176.35 175.39 1r27 s GLN 75 N -3.38 0.59 0.42 1.70 0.74 -0.76 -4.91 119.66 114.06 1r27 s GLN 75 Ca 0.52 0.40 -0.26 0.00 0.05 0.00 0.00 55.36 56.06 1r27 s GLN 75 Cb -0.10 0.28 -0.10 0.00 1.10 0.00 0.00 33.01 34.19 1r27 s GLN 75 CO 0.24 -0.11 1.43 -2.30 -0.55 0.00 0.00 175.29 174.00 1r27 n PRO 76 N 2.33 2.37 0.31 1.67 -0.02 -1.26 -0.89 135.00 139.50 1r27 n PRO 76 Ca -0.16 0.84 0.18 0.00 -2.02 0.00 0.00 63.50 62.34 1r27 n PRO 76 Cb 0.57 -2.61 0.99 0.00 -0.02 0.00 0.00 33.50 32.43 1r27 n PRO 76 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1r27 h ARG 77 N 2.51 0.00 -0.06 -0.52 2.43 -1.29 -1.51 114.38 115.94 1r27 h ARG 77 Ca -0.50 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1r27 h ARG 77 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1r27 h ARG 77 CO 0.62 0.02 0.00 0.00 -1.51 0.00 0.00 179.97 179.10 1r27 n MET 78 N -3.43 1.25 0.00 0.20 0.00 -1.21 -4.95 117.12 108.98 1r27 n MET 78 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 57.70 57.29 1r27 n MET 78 Cb 0.12 -1.32 0.00 0.00 0.00 0.00 0.00 33.22 32.03 1r27 n MET 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1r27 n GLY 79 N 0.90 2.73 3.89 3.17 0.00 -0.57 -4.73 105.19 110.57 1r27 n GLY 79 Ca 0.14 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 1r27 n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 s ASN 80 N 0.00 2.80 0.49 1.61 6.03 -1.26 -4.15 114.94 120.45 1r27 s ASN 80 Ca 0.00 0.31 0.22 0.00 -1.03 0.00 0.00 52.86 52.36 1r27 s ASN 80 Cb 0.00 -0.38 1.26 0.00 -3.03 0.00 0.00 41.25 39.10 1r27 s ASN 80 CO 0.00 -2.93 1.95 -0.09 -2.03 0.00 0.00 177.10 174.00 1r27 h ARG 81 N -1.78 0.18 -0.37 3.55 9.65 -1.98 0.06 114.38 123.68 1r27 h ARG 81 Ca -0.44 -0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.34 1r27 h ARG 81 Cb 1.24 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.77 1r27 h ARG 81 CO 0.37 0.12 -0.11 0.00 2.80 0.00 0.00 179.97 183.15 1r27 h ALA 82 N 1.68 0.51 -0.02 2.80 0.00 -2.00 -2.81 119.26 119.42 1r27 h ALA 82 Ca 0.32 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1r27 h ALA 82 Cb 1.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1r27 h ALA 82 CO -0.06 0.39 -0.67 1.98 0.00 0.00 0.00 179.25 180.89 1r27 h MET 83 N 0.53 0.09 0.62 0.00 1.85 -1.46 -3.02 114.93 113.54 1r27 h MET 83 Ca 0.09 -0.07 -0.03 0.00 -0.61 0.00 0.00 59.70 59.08 1r27 h MET 83 Cb 0.62 0.01 0.01 0.00 0.43 0.00 0.00 31.60 32.67 1r27 h MET 83 CO 0.04 0.73 -0.30 -0.07 -0.40 0.00 0.00 176.91 176.91 1r27 h LEU 84 N 0.06 -0.71 -2.72 3.39 3.38 -0.93 -1.47 115.31 116.31 1r27 h LEU 84 Ca -0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1r27 h LEU 84 Cb 1.20 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 1r27 h LEU 84 CO 0.09 -0.47 -0.01 -0.07 0.09 0.00 0.00 178.44 178.08 1r27 h LEU 85 N -0.91 0.00 -0.43 1.67 3.38 -1.63 0.12 115.31 117.51 1r27 h LEU 85 Ca -0.09 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.71 1r27 h LEU 85 Cb 0.64 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1r27 h LEU 85 CO 0.14 0.01 -0.69 1.23 0.09 0.00 0.00 178.44 179.21 1r27 h GLY 86 N 0.10 0.48 0.95 0.83 0.00 -1.38 -2.92 103.07 101.14 1r27 h GLY 86 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1r27 h GLY 86 CO 0.00 0.58 0.00 0.28 0.00 0.00 0.00 176.54 177.40 1r27 n LYS 87 N -3.86 0.66 0.18 4.80 5.02 0.41 -2.26 118.16 123.10 1r27 n LYS 87 Ca -0.04 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1r27 n LYS 87 Cb 0.69 -1.48 0.33 0.00 -0.02 0.00 0.00 35.03 34.55 1r27 n LYS 87 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1r27 h ILE 88 N 0.00 1.24 0.03 -0.18 2.04 -1.45 -3.25 117.51 115.94 1r27 h ILE 88 Ca 0.00 -1.45 -0.37 0.00 1.00 0.00 0.00 64.86 64.04 1r27 h ILE 88 Cb 0.00 1.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 1r27 h ILE 88 CO 0.00 0.41 -2.27 0.49 0.00 0.00 0.00 178.15 176.77 1r27 n PHE 89 N -3.96 0.39 -3.52 1.37 3.72 -0.96 -4.92 117.46 109.59 1r27 n PHE 89 Ca -0.02 0.10 -0.18 0.00 -0.05 0.00 0.00 57.45 57.30 1r27 n PHE 89 Cb 0.45 -1.06 -0.13 0.00 -0.94 0.00 0.00 39.48 37.80 1r27 n PHE 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1r27 s ALA 90 N -2.53 -0.26 -0.32 4.37 0.00 -1.19 -5.09 121.76 116.74 1r27 s ALA 90 Ca -0.24 0.30 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1r27 s ALA 90 Cb 0.08 -1.26 0.09 0.00 0.00 0.00 0.00 23.12 22.03 1r27 s ALA 90 CO 0.71 -1.12 0.05 1.21 0.00 0.00 0.00 175.76 176.60 1r27 s ASN 91 N 2.32 4.43 0.00 0.00 3.84 -1.25 -4.22 114.94 120.06 1r27 s ASN 91 Ca 0.06 -1.86 0.22 0.00 0.21 0.00 0.00 52.86 51.49 1r27 s ASN 91 Cb -0.15 -1.34 1.17 0.00 -0.55 0.00 0.00 41.25 40.38 1r27 s ASN 91 CO -0.11 -0.37 1.70 -0.81 -2.79 0.00 0.00 177.10 174.72 1r27 n PRO 92 N 4.49 0.43 0.00 0.43 -0.04 -1.26 -3.70 135.00 135.35 1r27 n PRO 92 Ca -0.00 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.59 1r27 n PRO 92 Cb 0.42 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.41 1r27 n PRO 92 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1r27 n HIS 93 N -1.20 0.00 -1.69 0.54 8.25 -1.26 -5.01 115.22 114.85 1r27 n HIS 93 Ca 0.12 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.14 1r27 n HIS 93 Cb 0.14 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.22 1r27 n HIS 93 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1r27 n LEU 94 N 0.26 3.48 -4.75 2.41 4.77 -1.24 -4.84 117.00 117.09 1r27 n LEU 94 Ca 0.08 1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 56.75 1r27 n LEU 94 Cb 0.36 -1.48 -0.02 0.00 -2.33 0.00 0.00 43.42 39.95 1r27 n LEU 94 CO 0.16 -0.19 1.13 -2.84 -1.33 0.00 0.00 177.39 174.32 1r27 s PRO 95 N 0.28 4.23 0.69 3.23 0.02 -1.26 -5.01 135.00 137.19 1r27 s PRO 95 Ca 0.72 2.37 -0.05 0.00 0.02 0.00 0.00 61.00 64.05 1r27 s PRO 95 Cb -0.61 -3.08 0.06 0.00 0.02 0.00 0.00 34.50 30.89 1r27 s PRO 95 CO 0.43 -0.46 0.99 0.20 -0.33 0.00 0.00 177.00 177.82 1r27 s GLY 96 N 0.33 1.71 0.53 0.52 0.00 -1.26 -4.93 107.32 104.22 1r27 s GLY 96 Ca 0.59 -1.02 0.23 0.00 0.00 0.00 0.00 44.72 44.53 1r27 s GLY 96 CO 0.45 -0.62 2.14 1.19 0.00 0.00 0.00 173.10 176.27 1r27 h ILE 97 N -0.52 0.76 0.00 0.90 6.09 -1.94 -0.89 117.51 121.90 1r27 h ILE 97 Ca -0.44 -0.25 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 1r27 h ILE 97 Cb 1.31 1.15 0.00 0.00 0.47 0.00 0.00 36.82 39.75 1r27 h ILE 97 CO 0.58 0.06 0.00 0.47 -3.07 0.00 0.00 178.15 176.19 1r27 n ASP 98 N -4.04 0.60 0.16 2.19 8.00 -1.26 -0.30 116.55 121.91 1r27 n ASP 98 Ca -0.03 0.58 0.03 0.00 0.71 0.00 0.00 54.79 56.09 1r27 n ASP 98 Cb 0.15 -0.74 0.18 0.00 -0.02 0.00 0.00 41.12 40.70 1r27 n ASP 98 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1r27 h ASP 99 N 0.00 0.00 0.00 -2.24 3.32 -1.52 -3.39 116.42 112.60 1r27 h ASP 99 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1r27 h ASP 99 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1r27 h ASP 99 CO 0.00 0.47 0.00 -1.22 -1.72 0.00 0.00 179.24 176.77 1r27 n TYR 100 N -3.40 0.00 0.00 4.55 4.01 -0.99 -0.73 117.16 120.61 1r27 n TYR 100 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1r27 n TYR 100 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 1r27 n TYR 100 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1r27 n TYR 101 N -0.10 0.00 -2.81 -0.72 0.18 0.59 -4.65 117.16 109.65 1r27 n TYR 101 Ca 0.00 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.35 1r27 n TYR 101 Cb 0.00 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 38.92 1r27 n TYR 101 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 1r27 s GLU 102 N -2.00 3.67 0.38 -3.48 2.12 -1.26 -4.77 118.70 113.37 1r27 s GLU 102 Ca 0.00 0.35 -0.27 0.00 0.36 0.00 0.00 54.97 55.41 1r27 s GLU 102 Cb 0.00 -3.87 -0.11 0.00 0.26 0.00 0.00 34.13 30.41 1r27 s GLU 102 CO 0.00 -1.11 1.39 -0.35 -0.54 0.00 0.00 175.26 174.65 1r27 n PRO 103 N 7.02 2.38 -4.33 4.30 -0.04 -1.26 -4.90 135.00 138.17 1r27 n PRO 103 Ca 0.07 0.84 -0.17 0.00 -0.04 0.00 0.00 63.50 64.19 1r27 n PRO 103 Cb 0.48 -2.52 -0.10 0.00 -0.04 0.00 0.00 33.50 31.32 1r27 n PRO 103 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1r27 s PHE 104 N -1.13 1.57 0.33 0.54 -0.12 -1.26 -0.91 117.98 117.00 1r27 s PHE 104 Ca 0.55 -1.07 0.05 0.00 -0.05 0.00 0.00 56.93 56.41 1r27 s PHE 104 Cb -0.51 -0.93 -0.02 0.00 -0.63 0.00 0.00 43.02 40.93 1r27 s PHE 104 CO 0.62 -0.20 0.33 -3.47 -0.05 0.00 0.00 175.22 172.45 1r27 n ASP 105 N -0.46 -0.86 -4.06 1.98 -0.08 0.28 -4.77 116.55 108.57 1r27 n ASP 105 Ca -0.02 -3.04 -0.14 0.00 -1.51 0.00 0.00 54.79 50.08 1r27 n ASP 105 Cb 0.65 1.86 -0.12 0.00 2.34 0.00 0.00 41.12 45.85 1r27 n ASP 105 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1r27 s PHE 106 N -3.21 0.70 -1.44 -0.67 0.08 -1.26 -0.89 117.98 111.30 1r27 s PHE 106 Ca 0.36 -0.45 -0.13 0.00 0.12 0.00 0.00 56.93 56.83 1r27 s PHE 106 Cb 0.01 -0.42 0.06 0.00 -0.57 0.00 0.00 43.02 42.10 1r27 s PHE 106 CO 0.25 -0.06 2.20 -0.25 -0.10 0.00 0.00 175.22 177.26 1r27 n ASP 107 N 1.63 4.22 -0.36 1.36 8.00 -0.46 -4.74 116.55 126.19 1r27 n ASP 107 Ca -0.21 -2.87 0.03 0.00 0.71 0.00 0.00 54.79 52.44 1r27 n ASP 107 Cb 0.55 -1.63 0.19 0.00 -0.02 0.00 0.00 41.12 40.21 1r27 n ASP 107 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 1r27 h TYR 108 N 5.92 1.19 -0.25 1.24 0.05 -1.92 -2.37 116.97 120.83 1r27 h TYR 108 Ca 0.55 0.03 0.07 0.00 0.05 0.00 0.00 58.73 59.44 1r27 h TYR 108 Cb 0.63 -0.39 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 1r27 h TYR 108 CO 1.44 0.61 0.28 1.96 -1.05 0.00 0.00 178.16 181.40 1r27 h GLN 109 N 1.15 0.00 0.00 4.88 1.08 -1.98 0.39 115.11 120.63 1r27 h GLN 109 Ca 0.43 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.61 1r27 h GLN 109 Cb 0.19 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.62 1r27 h GLN 109 CO -0.18 0.00 -0.10 -0.97 -0.95 0.00 0.00 178.83 176.63 1r27 h ASN 110 N 0.00 0.00 0.28 1.46 -1.24 -1.75 0.18 115.58 114.51 1r27 h ASN 110 Ca 0.12 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.04 1r27 h ASN 110 Cb 0.67 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 1r27 h ASN 110 CO -0.00 0.10 -0.39 -0.07 -1.29 0.00 0.00 177.43 175.78 1r27 h LEU 111 N 0.00 0.16 0.19 0.34 3.38 -1.08 -1.33 115.31 116.97 1r27 h LEU 111 Ca -0.00 -0.06 -0.34 0.00 0.09 0.00 0.00 57.88 57.57 1r27 h LEU 111 Cb 0.20 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1r27 h LEU 111 CO 0.01 0.54 -1.65 0.45 0.09 0.00 0.00 178.44 177.88 1r27 h HIS 112 N 0.13 0.75 -0.03 1.13 3.86 -1.00 -3.39 115.15 116.60 1r27 h HIS 112 Ca 0.01 -0.55 0.00 0.00 -1.16 0.00 0.00 60.37 58.68 1r27 h HIS 112 Cb 0.75 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.19 1r27 h HIS 112 CO 0.01 1.64 -0.08 0.25 0.86 0.00 0.00 177.93 180.61 1r27 n THR 113 N -3.66 0.00 -1.56 2.45 -2.24 0.40 -4.99 114.28 104.68 1r27 n THR 113 Ca -0.23 -0.42 -0.50 0.00 -2.27 0.00 0.00 64.05 60.63 1r27 n THR 113 Cb 1.06 1.29 -0.04 0.00 -2.10 0.00 0.00 70.33 70.53 1r27 n THR 113 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r27 n ALA 114 N 0.92 -1.12 -1.47 6.98 0.00 -0.51 -4.88 120.51 120.43 1r27 n ALA 114 Ca 0.14 0.48 -0.32 0.00 0.00 0.00 0.00 53.44 53.74 1r27 n ALA 114 Cb 0.54 -1.99 0.05 0.00 0.00 0.00 0.00 19.45 18.05 1r27 n ALA 114 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1r27 s PRO 115 N -0.29 2.74 0.48 0.00 0.04 -1.26 -5.00 135.00 131.72 1r27 s PRO 115 Ca 0.75 1.23 -0.23 0.00 0.04 0.00 0.00 61.00 62.79 1r27 s PRO 115 Cb -0.90 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 31.61 1r27 s PRO 115 CO 0.52 -1.27 1.26 -1.91 0.04 0.00 0.00 177.00 175.64 1r27 n GLU 116 N -2.78 1.74 -1.69 4.56 2.13 -1.26 -2.74 120.64 120.60 1r27 n GLU 116 Ca 0.09 0.63 -0.08 0.00 0.66 0.00 0.00 57.16 58.46 1r27 n GLU 116 Cb 0.53 -2.42 -0.02 0.00 0.27 0.00 0.00 31.44 29.79 1r27 n GLU 116 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r27 n GLY 117 N 0.85 0.54 3.77 8.31 0.00 -1.26 -4.98 105.19 112.42 1r27 n GLY 117 Ca 0.09 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 1r27 n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1r27 s SER 118 N -2.77 6.47 0.52 1.61 0.01 -1.11 -4.89 113.70 113.55 1r27 s SER 118 Ca 0.00 2.92 0.31 0.00 1.31 0.00 0.00 55.95 60.49 1r27 s SER 118 Cb 0.00 -2.66 1.15 0.00 0.21 0.00 0.00 66.02 64.72 1r27 s SER 118 CO 0.00 -0.79 1.90 0.11 0.41 0.00 0.00 173.24 174.88 1r27 h LYS 119 N 3.50 0.00 -4.34 12.44 1.79 -1.93 -3.45 116.57 124.57 1r27 h LYS 119 Ca -0.49 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 57.79 1r27 h LYS 119 Cb 1.23 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.74 1r27 h LYS 119 CO 0.68 0.02 -0.54 -1.54 -1.08 0.00 0.00 179.45 176.99 1r27 s SER 120 N -5.83 0.16 0.16 0.86 1.04 -1.26 -5.12 113.70 103.71 1r27 s SER 120 Ca 0.02 -1.21 -0.31 0.00 0.48 0.00 0.00 55.95 54.93 1r27 s SER 120 Cb 0.08 0.38 -0.10 0.00 0.10 0.00 0.00 66.02 66.48 1r27 s SER 120 CO 0.57 -0.84 1.64 -1.58 0.98 0.00 0.00 173.24 174.01 1r27 s GLN 121 N -4.08 4.18 0.58 4.02 0.74 -1.26 -4.95 119.66 118.89 1r27 s GLN 121 Ca 0.29 2.43 -0.20 0.00 0.05 0.00 0.00 55.36 57.93 1r27 s GLN 121 Cb 0.06 -3.23 -0.04 0.00 1.10 0.00 0.00 33.01 30.90 1r27 s GLN 121 CO 0.07 -0.68 1.33 -2.14 -0.55 0.00 0.00 175.29 173.32 1r27 s PRO 122 N 1.49 2.95 0.10 1.67 0.02 -1.26 -5.03 135.00 134.95 1r27 s PRO 122 Ca 0.73 2.17 -0.03 0.00 0.02 0.00 0.00 61.00 63.88 1r27 s PRO 122 Cb -0.45 -2.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.93 1r27 s PRO 122 CO 0.32 -1.32 0.08 -1.50 -0.33 0.00 0.00 177.00 174.25 1r27 s ILE 123 N -1.34 0.14 -0.38 2.83 1.10 -1.26 -4.94 121.20 117.34 1r27 s ILE 123 Ca 0.75 -1.70 -0.07 0.00 -0.51 0.00 0.00 60.65 59.13 1r27 s ILE 123 Cb -0.39 -1.73 0.07 0.00 0.15 0.00 0.00 42.46 40.56 1r27 s ILE 123 CO 0.45 -0.66 0.18 0.00 -2.11 0.00 0.00 174.94 172.80 1r27 s ALA 124 N -3.97 3.15 0.43 1.50 0.00 -1.26 -4.66 121.76 116.96 1r27 s ALA 124 Ca 0.14 -2.07 -0.07 0.00 0.00 0.00 0.00 51.96 49.97 1r27 s ALA 124 Cb 0.07 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 1r27 s ALA 124 CO -0.04 -1.55 0.76 1.03 0.00 0.00 0.00 175.76 175.95 1r27 s ARG 125 N 1.35 3.64 0.56 0.00 0.52 -1.26 -4.61 118.95 119.15 1r27 s ARG 125 Ca 0.02 0.28 -0.18 0.00 -0.52 0.00 0.00 55.73 55.33 1r27 s ARG 125 Cb -0.22 -2.41 -0.05 0.00 0.52 0.00 0.00 34.95 32.79 1r27 s ARG 125 CO 0.01 -0.10 1.08 -1.25 0.02 0.00 0.00 175.30 175.06 1r27 s PRO 126 N -4.29 3.39 -0.03 3.54 0.04 -1.26 -1.36 135.00 135.04 1r27 s PRO 126 Ca 0.48 1.40 -0.03 0.00 0.04 0.00 0.00 61.00 62.89 1r27 s PRO 126 Cb -0.10 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.41 1r27 s PRO 126 CO 0.38 -0.78 0.08 0.50 0.04 0.00 0.00 177.00 177.22 1r27 s ARG 127 N -3.60 0.14 0.16 4.56 3.52 -0.06 -1.83 118.95 121.84 1r27 s ARG 127 Ca 0.68 0.03 -0.30 0.00 -0.13 0.00 0.00 55.73 56.01 1r27 s ARG 127 Cb -0.19 0.06 -0.08 0.00 -1.56 0.00 0.00 34.95 33.19 1r27 s ARG 127 CO 0.30 -0.02 1.20 0.45 -0.81 0.00 0.00 175.30 176.42 1r27 s SER 128 N -0.16 7.08 0.00 -2.12 0.15 -0.07 -0.56 113.70 118.03 1r27 s SER 128 Ca -0.02 2.20 0.29 0.00 0.70 0.00 0.00 55.95 59.12 1r27 s SER 128 Cb -0.02 -2.60 1.30 0.00 -1.71 0.00 0.00 66.02 62.99 1r27 s SER 128 CO 0.00 -0.39 1.93 0.18 1.20 0.00 0.00 173.24 176.16 1r27 n LEU 129 N 2.77 0.12 -0.10 3.45 4.77 -0.09 -0.94 117.00 126.99 1r27 n LEU 129 Ca 0.05 0.29 -0.14 0.00 -0.03 0.00 0.00 56.01 56.18 1r27 n LEU 129 Cb 0.45 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1r27 n LEU 129 CO 0.56 0.02 -0.74 -0.38 -1.33 0.00 0.00 177.39 175.53 1r27 n ILE 130 N -1.31 1.49 0.58 -0.08 2.08 -1.26 -4.63 119.36 116.23 1r27 n ILE 130 Ca 0.11 0.03 0.12 0.00 0.56 0.00 0.00 62.75 63.57 1r27 n ILE 130 Cb 0.29 -2.23 0.13 0.00 -0.75 0.00 0.00 39.64 37.08 1r27 n ILE 130 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1r27 n THR 131 N -4.45 0.29 -0.89 1.39 -2.24 -1.26 -4.95 114.28 102.17 1r27 n THR 131 Ca -0.23 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.29 1r27 n THR 131 Cb 0.55 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1r27 n THR 131 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1r27 n GLY 132 N 1.35 0.43 3.93 3.38 0.00 -0.12 -4.99 105.19 109.18 1r27 n GLY 132 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1r27 n GLY 132 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r27 s GLU 133 N -0.64 3.51 0.31 1.61 2.02 -1.26 -4.71 118.70 119.54 1r27 s GLU 133 Ca 0.00 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 1r27 s GLU 133 Cb 0.00 -2.78 -0.12 0.00 0.10 0.00 0.00 34.13 31.33 1r27 s GLU 133 CO 0.00 0.32 1.51 -2.13 0.02 0.00 0.00 175.26 174.98 1r27 n ARG 134 N -1.09 2.51 -4.02 1.61 3.00 -1.26 -0.89 116.66 116.52 1r27 n ARG 134 Ca -0.05 0.89 -0.35 0.00 -0.00 0.00 0.00 57.85 58.34 1r27 n ARG 134 Cb 0.55 -2.62 -0.11 0.00 0.00 0.00 0.00 32.46 30.28 1r27 n ARG 134 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1r27 s MET 135 N -0.96 3.82 0.22 -0.14 -1.94 -0.76 -4.82 119.30 114.73 1r27 s MET 135 Ca 0.62 -0.42 -0.03 0.00 -1.71 0.00 0.00 55.69 54.14 1r27 s MET 135 Cb -0.53 -3.18 0.22 0.00 2.01 0.00 0.00 34.83 33.35 1r27 s MET 135 CO 0.53 0.13 1.65 0.00 -0.01 0.00 0.00 175.02 177.32 1r27 h ALA 136 N 7.15 0.92 -2.15 3.03 0.00 -1.94 -3.41 119.26 122.87 1r27 h ALA 136 Ca -0.36 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.13 1r27 h ALA 136 Cb 1.18 -0.15 -0.21 0.00 0.00 0.00 0.00 17.79 18.60 1r27 h ALA 136 CO 0.65 0.62 0.06 0.21 0.00 0.00 0.00 179.25 180.79 1r27 s LYS 137 N -4.64 0.82 -0.21 0.00 2.20 -1.26 -5.03 119.74 111.62 1r27 s LYS 137 Ca -0.09 0.70 -0.21 0.00 -0.36 0.00 0.00 55.97 56.01 1r27 s LYS 137 Cb 0.13 0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 36.82 1r27 s LYS 137 CO 0.83 -0.15 0.65 0.42 -0.36 0.00 0.00 175.35 176.74 1r27 s ILE 138 N -0.09 5.00 -0.52 5.43 1.01 -1.26 -4.91 121.20 125.86 1r27 s ILE 138 Ca -0.03 1.21 0.04 0.00 0.00 0.00 0.00 60.65 61.88 1r27 s ILE 138 Cb -0.04 -3.96 0.04 0.00 0.01 0.00 0.00 42.46 38.51 1r27 s ILE 138 CO 0.03 0.08 0.67 -0.62 0.00 0.00 0.00 174.94 175.10 1r27 n GLU 139 N 5.22 -0.19 -3.50 2.79 1.02 -1.26 -5.05 120.64 119.67 1r27 n GLU 139 Ca -0.01 -0.82 -0.14 0.00 -0.02 0.00 0.00 57.16 56.18 1r27 n GLU 139 Cb 0.49 -1.08 -0.04 0.00 -0.02 0.00 0.00 31.44 30.79 1r27 n GLU 139 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1r27 s LYS 140 N -0.40 1.01 0.25 3.49 2.20 -1.26 -5.14 119.74 119.90 1r27 s LYS 140 Ca 0.05 -0.06 -0.12 0.00 -0.36 0.00 0.00 55.97 55.49 1r27 s LYS 140 Cb 0.04 0.47 -0.00 0.00 -1.51 0.00 0.00 37.83 36.82 1r27 s LYS 140 CO 0.05 -0.38 0.47 0.20 -0.36 0.00 0.00 175.35 175.34 1r27 s GLY 141 N -1.82 0.61 0.16 5.54 0.00 -1.26 -4.68 107.32 105.86 1r27 s GLY 141 Ca -0.04 -0.93 0.22 0.00 0.00 0.00 0.00 44.72 43.97 1r27 s GLY 141 CO -0.01 -0.66 1.68 -1.55 0.00 0.00 0.00 173.10 172.56 1r27 n PRO 142 N -0.39 0.14 -1.92 2.90 -0.04 -1.26 -3.26 135.00 131.17 1r27 n PRO 142 Ca -0.01 0.30 -0.02 0.00 -0.04 0.00 0.00 63.50 63.73 1r27 n PRO 142 Cb 0.62 -1.73 0.06 0.00 -0.04 0.00 0.00 33.50 32.41 1r27 n PRO 142 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1r27 n ASN 143 N -1.98 2.03 -0.22 3.54 4.05 -1.26 -4.70 115.26 116.72 1r27 n ASN 143 Ca 0.04 -2.63 0.11 0.00 0.45 0.00 0.00 54.58 52.54 1r27 n ASN 143 Cb 0.26 -0.41 0.40 0.00 1.23 0.00 0.00 39.78 41.26 1r27 n ASN 143 CO 0.00 0.00 0.00 -0.25 -3.05 0.00 0.00 177.26 173.96 1r27 h TRP 144 N 1.78 0.72 -0.09 1.20 2.91 -1.95 -2.16 115.95 118.35 1r27 h TRP 144 Ca -0.05 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.99 1r27 h TRP 144 Cb 1.47 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 29.89 1r27 h TRP 144 CO 0.51 0.30 0.00 0.39 -1.03 0.00 0.00 178.44 178.61 1r27 n GLU 145 N -4.52 1.33 -1.51 2.65 1.02 -1.26 -4.67 120.64 113.68 1r27 n GLU 145 Ca 0.15 -0.50 -0.57 0.00 -0.02 0.00 0.00 57.16 56.21 1r27 n GLU 145 Cb 0.41 -1.28 -0.07 0.00 -0.02 0.00 0.00 31.44 30.47 1r27 n GLU 145 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1r27 n ASP 146 N -0.24 0.21 -3.89 1.62 2.03 -0.82 -2.10 116.55 113.36 1r27 n ASP 146 Ca 0.12 1.15 -0.25 0.00 0.52 0.00 0.00 54.79 56.34 1r27 n ASP 146 Cb 0.17 -0.96 -0.01 0.00 -0.72 0.00 0.00 41.12 39.60 1r27 n ASP 146 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1r27 n ASP 147 N 1.67 -0.78 -3.67 1.67 8.00 -1.26 -2.34 116.55 119.84 1r27 n ASP 147 Ca 0.20 -0.98 -0.25 0.00 0.71 0.00 0.00 54.79 54.47 1r27 n ASP 147 Cb 0.10 -3.25 0.07 0.00 -0.02 0.00 0.00 41.12 38.02 1r27 n ASP 147 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1r27 n LEU 148 N -4.36 -3.21 -4.65 0.64 4.77 -0.89 -4.94 117.00 104.36 1r27 n LEU 148 Ca -0.30 -0.60 -0.43 0.00 -0.03 0.00 0.00 56.01 54.65 1r27 n LEU 148 Cb 0.68 -2.92 -0.02 0.00 -2.33 0.00 0.00 43.42 38.83 1r27 n LEU 148 CO 0.73 0.61 1.01 -0.83 -1.33 0.00 0.00 177.39 177.58 1r27 s GLY 149 N -3.33 1.58 0.00 -0.72 0.00 -0.96 -4.82 107.32 99.06 1r27 s GLY 149 Ca 0.60 0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.45 1r27 s GLY 149 CO 0.75 2.35 0.00 0.61 0.00 0.00 0.00 173.10 176.82 1r27 n GLY 150 N 3.76 3.29 3.70 0.20 0.00 -1.26 -4.53 105.19 110.35 1r27 n GLY 150 Ca 0.13 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 1r27 n GLY 150 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r27 n GLU 151 N -0.94 2.26 -0.06 1.61 4.71 -1.26 -4.83 120.64 122.12 1r27 n GLU 151 Ca 0.00 0.80 -0.07 0.00 -0.01 0.00 0.00 57.16 57.88 1r27 n GLU 151 Cb 0.00 -2.47 -0.01 0.00 -1.01 0.00 0.00 31.44 27.95 1r27 n GLU 151 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1r27 h PHE 152 N 3.79 -0.27 0.00 -0.32 3.57 -1.96 -0.92 116.94 120.83 1r27 h PHE 152 Ca -0.46 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1r27 h PHE 152 Cb 1.26 0.16 0.00 0.00 2.79 0.00 0.00 35.95 40.16 1r27 h PHE 152 CO 0.55 -0.18 0.24 -0.44 -2.23 0.00 0.00 178.31 176.25 1r27 h ASP 153 N -0.07 0.00 0.09 0.41 3.32 -1.97 0.41 116.42 118.61 1r27 h ASP 153 Ca 0.14 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.93 1r27 h ASP 153 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1r27 h ASP 153 CO -0.32 0.00 -1.36 0.50 -1.72 0.00 0.00 179.24 176.34 1r27 h LYS 154 N 0.00 0.20 -0.18 3.56 3.64 -1.54 -3.35 116.57 118.90 1r27 h LYS 154 Ca 0.00 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 58.97 1r27 h LYS 154 Cb 0.47 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1r27 h LYS 154 CO 0.00 1.16 -0.21 -0.07 -2.27 0.00 0.00 179.45 178.06 1r27 h LEU 155 N -0.41 0.30 0.00 5.20 3.38 -0.27 -2.88 115.31 120.62 1r27 h LEU 155 Ca -0.30 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1r27 h LEU 155 Cb 1.67 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1r27 h LEU 155 CO 0.02 0.52 0.00 0.00 0.09 0.00 0.00 178.44 179.07 1r27 n ALA 156 N -2.48 2.04 1.37 1.53 0.00 0.12 -2.11 120.51 120.98 1r27 n ALA 156 Ca -0.01 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1r27 n ALA 156 Cb 0.34 -1.24 0.68 0.00 0.00 0.00 0.00 19.45 19.23 1r27 n ALA 156 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1r27 n LYS 157 N -1.02 0.59 -1.60 0.00 5.02 -1.09 -4.77 118.16 115.28 1r27 n LYS 157 Ca 0.11 0.03 -0.59 0.00 -2.02 0.00 0.00 58.31 55.83 1r27 n LYS 157 Cb 0.06 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 1r27 n LYS 157 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1r27 n ASP 158 N -1.13 0.93 0.29 4.39 -0.08 -0.90 -4.80 116.55 115.25 1r27 n ASP 158 Ca 0.15 1.15 0.15 0.00 -1.51 0.00 0.00 54.79 54.73 1r27 n ASP 158 Cb 0.13 -1.00 0.86 0.00 2.34 0.00 0.00 41.12 43.45 1r27 n ASP 158 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1r27 h LYS 159 N 4.31 0.00 0.00 -0.67 3.64 -1.87 -1.52 116.57 120.46 1r27 h LYS 159 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1r27 h LYS 159 Cb 1.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 1r27 h LYS 159 CO 0.79 0.05 0.00 0.09 -2.27 0.00 0.00 179.45 178.11 1r27 n ASN 160 N -3.69 0.00 -1.20 4.20 4.13 -1.26 -2.42 115.26 115.02 1r27 n ASN 160 Ca -0.02 0.32 0.04 0.00 1.68 0.00 0.00 54.58 56.60 1r27 n ASN 160 Cb 0.15 -0.42 0.22 0.00 -1.54 0.00 0.00 39.78 38.19 1r27 n ASN 160 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1r27 n PHE 161 N -1.42 1.07 -2.44 3.10 0.99 -0.57 -4.60 117.46 113.59 1r27 n PHE 161 Ca 0.06 -0.38 -0.38 0.00 -0.00 0.00 0.00 57.45 56.76 1r27 n PHE 161 Cb 0.20 -0.28 -0.03 0.00 -1.00 0.00 0.00 39.48 38.37 1r27 n PHE 161 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 1r27 s ASP 162 N -0.50 6.70 -2.00 4.37 1.01 -1.02 -3.19 116.67 122.04 1r27 s ASP 162 Ca 0.30 2.18 0.00 0.00 0.71 0.00 0.00 52.55 55.74 1r27 s ASP 162 Cb 0.22 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.55 1r27 s ASP 162 CO 0.10 -0.54 0.00 0.59 0.21 0.00 0.00 175.17 175.53 1r27 n ASN 163 N 0.09 -5.58 -3.96 0.27 3.02 -1.26 -4.97 115.26 102.86 1r27 n ASN 163 Ca 0.04 0.30 -0.24 0.00 -0.03 0.00 0.00 54.58 54.65 1r27 n ASN 163 Cb 0.48 -4.77 -0.17 0.00 -0.61 0.00 0.00 39.78 34.72 1r27 n ASN 163 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1r27 s ILE 164 N -2.86 0.97 -0.52 2.41 1.01 -1.19 -5.08 121.20 115.94 1r27 s ILE 164 Ca 0.00 -0.35 -0.27 0.00 0.00 0.00 0.00 60.65 60.04 1r27 s ILE 164 Cb 0.00 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 1r27 s ILE 164 CO 0.00 0.33 2.02 -1.10 0.00 0.00 0.00 174.94 176.19 1r27 s GLN 165 N 0.98 2.59 0.15 2.79 1.11 -1.26 -4.85 119.66 121.17 1r27 s GLN 165 Ca -0.09 1.00 -0.11 0.00 0.01 0.00 0.00 55.36 56.17 1r27 s GLN 165 Cb -0.15 -4.42 -0.00 0.00 -1.01 0.00 0.00 33.01 27.43 1r27 s GLN 165 CO 0.00 -2.75 1.54 0.87 0.01 0.00 0.00 175.29 174.97 1r27 h LYS 166 N 16.00 0.93 -0.01 2.91 1.57 -1.98 -3.38 116.57 132.61 1r27 h LYS 166 Ca -0.27 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 1r27 h LYS 166 Cb 1.20 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.47 1r27 h LYS 166 CO 1.17 1.04 -0.01 0.00 -0.57 0.00 0.00 179.45 181.08 1r27 n ALA 167 N -2.50 -0.01 -0.21 3.86 0.00 -1.26 -0.11 120.51 120.29 1r27 n ALA 167 Ca -0.00 0.01 0.05 0.00 0.00 0.00 0.00 53.44 53.50 1r27 n ALA 167 Cb 0.42 -0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.18 1r27 n ALA 167 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r27 h MET 168 N 0.00 0.83 0.00 0.00 -0.00 -2.00 -2.04 114.93 111.72 1r27 h MET 168 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 1r27 h MET 168 Cb 0.01 -0.19 0.00 0.00 -0.00 0.00 0.00 31.60 31.42 1r27 h MET 168 CO -0.01 0.55 0.00 0.66 -0.00 0.00 0.00 176.91 178.11 1r27 n TYR 169 N -4.47 0.00 1.65 -0.10 4.02 0.85 -2.40 117.16 116.71 1r27 n TYR 169 Ca 0.10 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.13 1r27 n TYR 169 Cb 0.17 -0.16 0.64 0.00 -0.02 0.00 0.00 39.34 39.97 1r27 n TYR 169 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1r27 n SER 170 N -1.16 0.99 -4.77 7.72 2.88 -0.77 -4.57 113.62 113.95 1r27 n SER 170 Ca 0.14 -1.36 -0.36 0.00 -1.33 0.00 0.00 58.87 55.96 1r27 n SER 170 Cb 0.14 -0.01 -0.07 0.00 -0.75 0.00 0.00 64.21 63.51 1r27 n SER 170 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1r27 s GLN 171 N -1.98 4.01 0.24 -1.46 -0.21 -1.01 -5.00 119.66 114.25 1r27 s GLN 171 Ca 0.40 -0.11 -0.14 0.00 0.02 0.00 0.00 55.36 55.53 1r27 s GLN 171 Cb 0.21 -3.36 0.31 0.00 1.00 0.00 0.00 33.01 31.16 1r27 s GLN 171 CO 0.33 0.42 1.54 0.34 -2.12 0.00 0.00 175.29 175.80 1r27 n PHE 172 N 3.09 0.13 0.28 0.91 7.35 -1.26 -0.07 117.46 127.88 1r27 n PHE 172 Ca -0.16 1.22 0.18 0.00 -0.76 0.00 0.00 57.45 57.93 1r27 n PHE 172 Cb 0.53 -0.93 0.95 0.00 0.35 0.00 0.00 39.48 40.37 1r27 n PHE 172 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1r27 h GLU 173 N 0.00 0.00 -0.49 -4.13 9.09 -1.94 -1.64 114.58 115.47 1r27 h GLU 173 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.79 1r27 h GLU 173 Cb 0.63 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.73 1r27 h GLU 173 CO -0.99 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.16 1r27 n ASN 174 N -3.48 3.47 -4.59 3.06 5.03 0.90 -4.45 115.26 115.20 1r27 n ASN 174 Ca -0.01 -1.96 -0.41 0.00 0.87 0.00 0.00 54.58 53.07 1r27 n ASN 174 Cb 0.23 -0.32 0.02 0.00 -1.02 0.00 0.00 39.78 38.69 1r27 n ASN 174 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1r27 n THR 175 N 1.33 2.54 -3.58 3.41 -1.04 -0.62 -4.83 114.28 111.49 1r27 n THR 175 Ca 0.19 -0.50 -0.16 0.00 -2.04 0.00 0.00 64.05 61.54 1r27 n THR 175 Cb 0.56 -1.07 -0.07 0.00 -1.82 0.00 0.00 70.33 67.94 1r27 n THR 175 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1r27 s PHE 176 N -1.35 -0.65 -0.11 -1.42 -0.12 -1.26 -5.03 117.98 108.03 1r27 s PHE 176 Ca 0.65 1.31 -0.21 0.00 -0.05 0.00 0.00 56.93 58.64 1r27 s PHE 176 Cb -0.53 0.33 0.05 0.00 -0.63 0.00 0.00 43.02 42.23 1r27 s PHE 176 CO 0.55 -0.50 0.51 0.00 -0.05 0.00 0.00 175.22 175.74 1r27 s MET 177 N -0.63 0.75 0.26 1.99 0.23 -1.26 -4.53 119.30 116.12 1r27 s MET 177 Ca -0.07 0.36 0.03 0.00 -1.03 0.00 0.00 55.69 54.97 1r27 s MET 177 Cb -0.02 0.35 -0.04 0.00 -1.53 0.00 0.00 34.83 33.60 1r27 s MET 177 CO 0.06 -0.17 0.19 0.00 -2.03 0.00 0.00 175.02 173.07 1r27 s MET 178 N -0.55 1.46 0.02 3.16 0.23 -0.78 -4.99 119.30 117.85 1r27 s MET 178 Ca -0.07 -1.81 0.09 0.00 -1.03 0.00 0.00 55.69 52.87 1r27 s MET 178 Cb -0.03 0.26 -0.03 0.00 -1.53 0.00 0.00 34.83 33.50 1r27 s MET 178 CO 0.04 -0.50 -0.26 0.71 -2.03 0.00 0.00 175.02 172.98 1r27 s TYR 179 N -3.82 2.33 -0.41 3.16 1.51 -1.26 -1.09 117.35 117.76 1r27 s TYR 179 Ca 0.39 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 56.06 1r27 s TYR 179 Cb 0.05 -1.43 0.12 0.00 -0.11 0.00 0.00 41.96 40.58 1r27 s TYR 179 CO 0.19 0.07 0.17 -1.17 -1.11 0.00 0.00 175.55 173.69 1r27 s LEU 180 N -1.01 3.69 0.20 -1.29 2.96 0.15 -4.96 118.68 118.42 1r27 s LEU 180 Ca 0.11 -2.44 -0.28 0.00 -0.22 0.00 0.00 54.13 51.30 1r27 s LEU 180 Cb -0.10 -1.36 -0.08 0.00 0.50 0.00 0.00 46.19 45.15 1r27 s LEU 180 CO 0.01 -0.31 0.89 -2.84 -1.32 0.00 0.00 176.35 172.77 1r27 s PRO 181 N 0.54 4.75 -0.07 0.98 0.02 -1.26 -1.38 135.00 138.57 1r27 s PRO 181 Ca 0.14 1.38 -0.21 0.00 0.02 0.00 0.00 61.00 62.33 1r27 s PRO 181 Cb -0.22 -3.29 0.05 0.00 0.02 0.00 0.00 34.50 31.06 1r27 s PRO 181 CO -0.07 0.50 0.49 -0.98 -0.33 0.00 0.00 177.00 176.61 1r27 s ARG 182 N -1.03 0.78 0.00 5.54 1.70 -0.14 -4.99 118.95 120.81 1r27 s ARG 182 Ca 0.40 0.20 0.00 0.00 -0.47 0.00 0.00 55.73 55.86 1r27 s ARG 182 Cb -0.25 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.49 1r27 s ARG 182 CO 0.30 -0.20 0.00 1.47 -1.08 0.00 0.00 175.30 175.79 1r27 n LEU 183 N 1.57 0.00 -4.77 -1.89 -0.00 -1.26 -1.59 117.00 109.06 1r27 n LEU 183 Ca -0.19 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.44 1r27 n LEU 183 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.95 1r27 n LEU 183 CO 0.19 0.00 0.81 0.00 -0.00 0.00 0.00 177.39 178.40 1r27 n GLU 185 N 0.57 0.36 -4.20 0.00 -0.58 -1.26 -4.85 120.64 110.69 1r27 n GLU 185 Ca 0.02 -0.12 -0.33 0.00 -0.42 0.00 0.00 57.16 56.31 1r27 n GLU 185 Cb 0.46 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.77 1r27 n GLU 185 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1r27 n HIS 186 N -1.22 -1.36 -1.16 -0.32 8.25 -1.26 -0.85 115.22 117.29 1r27 n HIS 186 Ca 0.11 0.52 -0.36 0.00 -0.26 0.00 0.00 57.72 57.73 1r27 n HIS 186 Cb 0.30 -2.97 0.07 0.00 1.12 0.00 0.00 29.99 28.52 1r27 n HIS 186 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r27 h LEU 188 N -0.60 0.00 -5.66 0.00 3.38 -0.77 -3.35 115.31 108.32 1r27 h LEU 188 Ca -0.45 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.96 1r27 h LEU 188 Cb 1.34 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.68 1r27 h LEU 188 CO 0.40 0.74 -0.80 -3.20 0.09 0.00 0.00 178.44 175.67 1r27 n ASN 189 N -3.13 3.20 -4.68 -0.43 5.15 0.83 -5.02 115.26 111.19 1r27 n ASN 189 Ca -0.05 -3.42 -0.46 0.00 -0.60 0.00 0.00 54.58 50.06 1r27 n ASN 189 Cb 0.87 -0.60 -0.04 0.00 -0.53 0.00 0.00 39.78 39.49 1r27 n ASN 189 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1r27 n PRO 190 N 0.18 2.33 0.11 1.20 -0.04 -1.26 -4.31 135.00 133.21 1r27 n PRO 190 Ca 0.29 0.84 -0.02 0.00 -0.04 0.00 0.00 63.50 64.57 1r27 n PRO 190 Cb 0.47 -2.66 0.05 0.00 -0.04 0.00 0.00 33.50 31.31 1r27 n PRO 190 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r27 h ALA 191 N 7.38 0.67 -0.30 0.55 0.00 -1.92 -3.21 119.26 122.42 1r27 h ALA 191 Ca -0.46 -0.64 -0.02 0.00 0.00 0.00 0.00 54.91 53.78 1r27 h ALA 191 Cb 1.25 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1r27 h ALA 191 CO 0.92 0.88 0.10 0.00 0.00 0.00 0.00 179.25 181.15 1r27 h VAL 193 N 0.33 1.15 0.00 0.00 2.07 -1.85 -2.10 116.25 115.85 1r27 h VAL 193 Ca 0.10 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.15 1r27 h VAL 193 Cb 0.23 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1r27 h VAL 193 CO -0.00 0.17 -0.42 0.00 0.02 0.00 0.00 177.57 177.33 1r27 h ALA 194 N 1.62 1.02 -0.30 1.67 0.00 -1.47 -3.24 119.26 118.57 1r27 h ALA 194 Ca 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1r27 h ALA 194 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1r27 h ALA 194 CO -0.03 0.52 0.00 0.25 0.00 0.00 0.00 179.25 179.99 1r27 n THR 195 N -3.63 0.39 -3.85 0.00 -2.24 -0.79 -4.71 114.28 99.45 1r27 n THR 195 Ca -0.01 -0.55 -0.35 0.00 -2.27 0.00 0.00 64.05 60.88 1r27 n THR 195 Cb 0.52 0.60 -0.13 0.00 -2.10 0.00 0.00 70.33 69.23 1r27 n THR 195 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r27 h PRO 197 N 7.92 0.00 0.00 0.00 0.11 -1.86 -2.62 132.00 135.55 1r27 h PRO 197 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1r27 h PRO 197 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1r27 h PRO 197 CO 0.64 0.00 -0.19 0.66 -0.21 0.00 0.00 178.00 178.90 1r27 h SER 198 N 0.00 0.00 -0.04 -2.05 4.64 -1.95 -3.47 113.55 110.68 1r27 h SER 198 Ca 0.09 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1r27 h SER 198 Cb 0.58 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 1r27 h SER 198 CO -0.00 0.03 -0.01 0.61 -0.87 0.00 0.00 176.83 176.59 1r27 n GLY 199 N 1.31 0.38 0.17 -0.77 0.00 -0.99 -4.93 105.19 100.36 1r27 n GLY 199 Ca 0.05 -0.97 -0.03 0.00 0.00 0.00 0.00 46.02 45.07 1r27 n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r27 h ALA 200 N 0.01 0.99 -3.03 4.61 0.00 -1.89 -3.42 119.26 116.53 1r27 h ALA 200 Ca -0.01 -0.50 -0.60 0.00 0.00 0.00 0.00 54.91 53.80 1r27 h ALA 200 Cb 0.56 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.15 1r27 h ALA 200 CO 0.01 0.68 -0.33 0.42 0.00 0.00 0.00 179.25 180.03 1r27 s ILE 201 N -3.85 5.29 0.04 0.00 1.01 -1.26 -0.03 121.20 122.39 1r27 s ILE 201 Ca -0.03 0.50 -0.01 0.00 0.00 0.00 0.00 60.65 61.11 1r27 s ILE 201 Cb 0.13 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.94 1r27 s ILE 201 CO 0.78 0.34 -0.02 -0.72 0.00 0.00 0.00 174.94 175.31 1r27 s TYR 202 N 0.86 0.38 -0.31 3.97 -0.85 -0.40 -4.75 117.35 116.26 1r27 s TYR 202 Ca 0.15 -0.79 -0.08 0.00 -0.52 0.00 0.00 57.07 55.82 1r27 s TYR 202 Cb -0.13 -0.29 0.01 0.00 0.38 0.00 0.00 41.96 41.93 1r27 s TYR 202 CO 0.05 -0.29 0.12 0.21 -1.52 0.00 0.00 175.55 174.12 1r27 s LYS 203 N -2.72 3.08 0.29 -3.49 2.20 -1.26 -0.90 119.74 116.94 1r27 s LYS 203 Ca -0.04 -0.88 -0.30 0.00 -0.36 0.00 0.00 55.97 54.39 1r27 s LYS 203 Cb -0.01 -3.48 -0.12 0.00 -1.51 0.00 0.00 37.83 32.72 1r27 s LYS 203 CO -0.06 -0.49 1.61 0.54 -0.36 0.00 0.00 175.35 176.60 1r27 n ARG 204 N 4.91 2.75 0.07 4.03 1.74 -0.38 -4.86 116.66 124.91 1r27 n ARG 204 Ca -0.14 0.98 -0.06 0.00 -0.77 0.00 0.00 57.85 57.86 1r27 n ARG 204 Cb 0.48 -2.77 0.10 0.00 -1.02 0.00 0.00 32.46 29.25 1r27 n ARG 204 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1r27 h GLU 205 N 4.90 0.29 -0.63 5.56 5.08 -1.96 0.35 114.58 128.17 1r27 h GLU 205 Ca -0.47 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 57.63 1r27 h GLU 205 Cb 1.22 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1r27 h GLU 205 CO 0.80 0.81 0.17 1.05 -1.00 0.00 0.00 179.01 180.84 1r27 h GLU 206 N 0.21 1.00 0.00 2.33 4.11 -1.91 -3.39 114.58 116.94 1r27 h GLU 206 Ca -0.01 -0.23 0.00 0.00 0.07 0.00 0.00 59.36 59.19 1r27 h GLU 206 Cb 1.13 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1r27 h GLU 206 CO 0.10 0.90 0.00 -0.40 0.07 0.00 0.00 179.01 179.68 1r27 n ASP 207 N -4.34 0.32 0.00 3.06 5.68 -1.24 -4.50 116.55 115.54 1r27 n ASP 207 Ca 0.04 -1.10 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 1r27 n ASP 207 Cb 0.24 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 1r27 n ASP 207 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1r27 n GLY 208 N -0.05 0.32 3.70 6.12 0.00 0.12 -3.97 105.19 111.42 1r27 n GLY 208 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1r27 n GLY 208 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r27 s ILE 209 N -1.75 3.86 -0.20 -0.61 1.01 -1.26 -4.57 121.20 117.68 1r27 s ILE 209 Ca 0.00 1.26 -0.19 0.00 0.00 0.00 0.00 60.65 61.72 1r27 s ILE 209 Cb 0.00 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 1r27 s ILE 209 CO 0.00 0.03 0.57 -0.69 0.00 0.00 0.00 174.94 174.84 1r27 s VAL 210 N 1.98 5.07 0.15 2.92 1.01 -1.26 -1.25 120.40 129.01 1r27 s VAL 210 Ca 0.61 1.06 0.05 0.00 0.00 0.00 0.00 61.98 63.70 1r27 s VAL 210 Cb -0.30 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1r27 s VAL 210 CO 0.26 0.15 -0.10 -0.76 0.00 0.00 0.00 175.10 174.65 1r27 s LEU 211 N 1.74 2.53 -0.30 3.92 1.43 -0.08 -4.79 118.68 123.12 1r27 s LEU 211 Ca 0.26 -1.01 -0.05 0.00 -1.03 0.00 0.00 54.13 52.30 1r27 s LEU 211 Cb -0.16 -0.37 0.03 0.00 0.03 0.00 0.00 46.19 45.73 1r27 s LEU 211 CO 0.10 -0.32 0.05 -0.63 0.23 0.00 0.00 176.35 175.78 1r27 s ILE 212 N -3.30 3.55 -0.17 -0.59 1.01 -1.26 -1.27 121.20 119.17 1r27 s ILE 212 Ca 0.17 -1.02 -0.29 0.00 0.00 0.00 0.00 60.65 59.51 1r27 s ILE 212 Cb 0.02 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 1r27 s ILE 212 CO 0.01 -0.02 2.04 -0.62 0.00 0.00 0.00 174.94 176.35 1r27 s ASP 213 N 1.39 5.86 0.39 3.58 -1.08 0.95 -4.86 116.67 122.91 1r27 s ASP 213 Ca -0.01 1.99 0.11 0.00 -0.52 0.00 0.00 52.55 54.12 1r27 s ASP 213 Cb -0.18 -2.52 0.79 0.00 -1.46 0.00 0.00 42.92 39.54 1r27 s ASP 213 CO 0.01 -1.63 1.90 1.56 0.52 0.00 0.00 175.17 177.53 1r27 h GLN 214 N 13.21 0.16 -0.16 4.34 1.08 -1.93 -1.85 115.11 129.97 1r27 h GLN 214 Ca -0.41 -0.04 -0.17 0.00 -1.45 0.00 0.00 58.65 56.57 1r27 h GLN 214 Cb 1.22 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 28.63 1r27 h GLN 214 CO 0.97 0.36 -0.62 -0.44 -0.95 0.00 0.00 178.83 178.15 1r27 h ASP 215 N 0.15 0.62 1.26 1.46 3.32 -1.98 -3.28 116.42 117.98 1r27 h ASP 215 Ca 0.03 -0.36 -0.06 0.00 0.02 0.00 0.00 57.03 56.66 1r27 h ASP 215 Cb 0.44 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1r27 h ASP 215 CO 0.03 1.09 -0.76 0.11 -1.72 0.00 0.00 179.24 177.98 1r27 h LYS 216 N 0.40 0.00 -6.88 3.56 1.57 -1.90 -3.47 116.57 109.87 1r27 h LYS 216 Ca -0.01 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.24 1r27 h LYS 216 Cb 1.18 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.57 1r27 h LYS 216 CO 0.11 0.16 0.75 0.00 -0.57 0.00 0.00 179.45 179.91 1r27 n ARG 218 N 1.10 2.33 -1.87 0.00 5.12 -1.26 -4.97 116.66 117.10 1r27 n ARG 218 Ca 0.03 -1.57 -0.11 0.00 -1.93 0.00 0.00 57.85 54.27 1r27 n ARG 218 Cb 0.40 -1.02 -0.02 0.00 -1.16 0.00 0.00 32.46 30.66 1r27 n ARG 218 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1r27 n GLY 219 N -0.59 0.42 0.25 -0.13 0.00 -1.23 -4.90 105.19 99.01 1r27 n GLY 219 Ca 0.03 -0.45 -0.00 0.00 0.00 0.00 0.00 46.02 45.60 1r27 n GLY 219 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1r27 h TRP 220 N 0.00 0.41 -0.54 1.61 6.55 -1.92 -3.48 115.95 118.59 1r27 h TRP 220 Ca -0.25 -0.06 -0.23 0.00 0.95 0.00 0.00 58.89 59.30 1r27 h TRP 220 Cb 1.02 -0.11 -0.09 0.00 -0.86 0.00 0.00 29.16 29.12 1r27 h TRP 220 CO 0.31 0.52 -0.21 0.54 -1.05 0.00 0.00 178.44 178.54 1r27 n ARG 221 N -4.22 -1.15 0.20 0.49 1.74 -1.26 -4.76 116.66 107.70 1r27 n ARG 221 Ca 0.00 0.86 0.06 0.00 -0.77 0.00 0.00 57.85 58.00 1r27 n ARG 221 Cb 0.31 -4.99 0.43 0.00 -1.02 0.00 0.00 32.46 27.18 1r27 n ARG 221 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 1r27 h MET 222 N 0.07 0.00 -0.51 5.56 2.86 -1.89 -2.87 114.93 118.14 1r27 h MET 222 Ca -0.23 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1r27 h MET 222 Cb 0.92 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1r27 h MET 222 CO 0.34 0.32 0.31 0.00 1.06 0.00 0.00 176.91 178.95 1r27 h ILE 224 N 0.71 1.24 -0.08 0.00 2.04 -1.81 -1.62 117.51 117.98 1r27 h ILE 224 Ca 0.19 -0.74 -0.09 0.00 1.00 0.00 0.00 64.86 65.21 1r27 h ILE 224 Cb -0.03 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1r27 h ILE 224 CO -0.04 0.30 -0.31 0.74 0.00 0.00 0.00 178.15 178.85 1r27 h THR 225 N 1.02 1.41 -0.86 -0.27 2.02 -1.46 -3.32 112.91 111.45 1r27 h THR 225 Ca 0.24 -1.69 0.09 0.00 0.77 0.00 0.00 66.41 65.82 1r27 h THR 225 Cb 0.19 2.27 -0.07 0.00 -1.74 0.00 0.00 68.15 68.80 1r27 h THR 225 CO -0.02 0.49 0.50 1.23 0.37 0.00 0.00 175.52 178.09 1r27 h GLY 226 N -0.13 1.33 -6.24 2.16 0.00 -0.66 -3.22 103.07 96.32 1r27 h GLY 226 Ca -0.02 -0.34 -0.57 0.00 0.00 0.00 0.00 47.33 46.41 1r27 h GLY 226 CO 0.07 0.15 1.19 0.00 0.00 0.00 0.00 176.54 177.95 1r27 n PRO 228 N 7.89 0.04 0.00 0.00 -0.04 -1.26 -1.99 135.00 139.64 1r27 n PRO 228 Ca 0.21 0.22 0.11 0.00 -0.04 0.00 0.00 63.50 63.99 1r27 n PRO 228 Cb 0.45 -1.57 -0.01 0.00 -0.04 0.00 0.00 33.50 32.33 1r27 n PRO 228 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1r27 n TYR 229 N -1.65 0.00 -3.87 0.54 4.01 -1.26 -4.65 117.16 110.28 1r27 n TYR 229 Ca 0.04 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.51 1r27 n TYR 229 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.26 1r27 n TYR 229 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1r27 n LYS 230 N -0.06 -2.94 -0.48 -0.72 4.76 -0.84 -4.89 118.16 112.99 1r27 n LYS 230 Ca 0.09 0.43 0.08 0.00 -2.87 0.00 0.00 58.31 56.04 1r27 n LYS 230 Cb 0.46 -4.46 0.28 0.00 -1.84 0.00 0.00 35.03 29.47 1r27 n LYS 230 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1r27 n LYS 231 N -4.35 3.35 -4.35 1.97 4.76 -1.26 -4.74 118.16 113.53 1r27 n LYS 231 Ca -0.26 -2.72 -0.34 0.00 -2.87 0.00 0.00 58.31 52.12 1r27 n LYS 231 Cb 0.66 -1.78 -0.14 0.00 -1.84 0.00 0.00 35.03 31.93 1r27 n LYS 231 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1r27 s ILE 232 N -2.19 3.33 -0.00 -0.18 1.01 -1.26 -4.29 121.20 117.61 1r27 s ILE 232 Ca 0.42 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.60 1r27 s ILE 232 Cb 0.30 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 1r27 s ILE 232 CO 0.15 0.48 -0.22 -0.31 0.00 0.00 0.00 174.94 175.03 1r27 s TYR 233 N 0.81 2.44 0.04 3.97 1.51 0.27 -4.79 117.35 121.59 1r27 s TYR 233 Ca -0.03 -0.35 -0.30 0.00 -1.01 0.00 0.00 57.07 55.38 1r27 s TYR 233 Cb -0.15 -1.50 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1r27 s TYR 233 CO 0.01 0.09 1.04 0.12 -1.11 0.00 0.00 175.55 175.70 1r27 s PHE 234 N -0.72 3.61 -0.58 2.71 5.36 -1.26 -0.15 117.98 126.95 1r27 s PHE 234 Ca 0.11 1.60 -0.19 0.00 -0.96 0.00 0.00 56.93 57.49 1r27 s PHE 234 Cb -0.10 -3.20 0.09 0.00 -0.34 0.00 0.00 43.02 39.47 1r27 s PHE 234 CO 0.01 -0.35 0.72 1.21 -1.46 0.00 0.00 175.22 175.35 1r27 s ASN 235 N 0.86 6.19 0.60 6.13 3.84 0.17 -4.81 114.94 127.93 1r27 s ASN 235 Ca 0.53 -1.26 0.40 0.00 0.21 0.00 0.00 52.86 52.73 1r27 s ASN 235 Cb -0.24 -2.32 2.01 0.00 -0.55 0.00 0.00 41.25 40.16 1r27 s ASN 235 CO 0.29 -1.11 2.20 4.11 -2.79 0.00 0.00 177.10 179.80 1r27 h TRP 236 N 9.20 0.00 0.17 0.43 5.08 -1.78 0.10 115.95 129.15 1r27 h TRP 236 Ca -0.29 0.00 -0.34 0.00 1.08 0.00 0.00 58.89 59.34 1r27 h TRP 236 Cb 1.09 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.25 1r27 h TRP 236 CO 0.84 0.00 -1.67 -0.22 -1.28 0.00 0.00 178.44 176.10 1r27 h LYS 237 N 0.00 0.35 0.00 0.12 1.63 -1.83 -3.36 116.57 113.49 1r27 h LYS 237 Ca 0.00 -0.61 0.00 0.00 -0.85 0.00 0.00 60.65 59.19 1r27 h LYS 237 Cb 0.17 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.02 1r27 h LYS 237 CO 0.00 1.25 -1.00 -1.13 -3.45 0.00 0.00 179.45 175.12 1r27 n SER 238 N -3.55 0.66 -0.46 4.20 3.41 -1.07 -4.95 113.62 111.86 1r27 n SER 238 Ca -0.22 0.07 -0.05 0.00 -0.26 0.00 0.00 58.87 58.40 1r27 n SER 238 Cb 1.07 0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 65.63 1r27 n SER 238 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r27 n GLY 239 N 1.29 0.66 3.28 5.00 0.00 0.33 -5.02 105.19 110.72 1r27 n GLY 239 Ca 0.01 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 1r27 n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 s LYS 240 N -2.84 1.16 0.03 1.61 1.02 -1.19 -3.49 119.74 116.03 1r27 s LYS 240 Ca 0.00 -1.54 -0.02 0.00 0.02 0.00 0.00 55.97 54.43 1r27 s LYS 240 Cb 0.00 -0.59 -0.04 0.00 -0.52 0.00 0.00 37.83 36.67 1r27 s LYS 240 CO 0.00 -0.00 0.22 -1.12 -0.92 0.00 0.00 175.35 173.53 1r27 s SER 241 N -3.22 6.39 0.18 2.83 0.01 -1.26 0.43 113.70 119.07 1r27 s SER 241 Ca 0.21 0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.87 1r27 s SER 241 Cb 0.04 -2.01 -0.05 0.00 0.21 0.00 0.00 66.02 64.22 1r27 s SER 241 CO 0.04 0.22 -0.04 -1.61 0.41 0.00 0.00 173.24 172.25 1r27 s GLU 242 N -2.14 1.15 0.24 12.44 2.02 0.79 -4.89 118.70 128.31 1r27 s GLU 242 Ca 0.31 -1.54 -0.22 0.00 0.02 0.00 0.00 54.97 53.54 1r27 s GLU 242 Cb -0.13 -0.52 0.04 0.00 0.10 0.00 0.00 34.13 33.62 1r27 s GLU 242 CO 0.22 -0.03 0.72 -1.59 0.02 0.00 0.00 175.26 174.60 1r27 s LYS 243 N -3.83 1.61 0.11 1.61 -2.85 -1.26 -0.57 119.74 114.57 1r27 s LYS 243 Ca 0.22 -0.84 -0.36 0.00 -1.00 0.00 0.00 55.97 53.99 1r27 s LYS 243 Cb 0.05 0.58 -0.16 0.00 -2.06 0.00 0.00 37.83 36.24 1r27 s LYS 243 CO 0.04 -0.73 1.35 0.00 0.10 0.00 0.00 175.35 176.10 1r27 n ILE 245 N 2.47 1.05 -3.16 0.00 -5.35 -1.26 -4.89 119.36 108.22 1r27 n ILE 245 Ca 0.17 -1.02 -0.21 0.00 -0.27 0.00 0.00 62.75 61.42 1r27 n ILE 245 Cb 0.22 0.48 0.00 0.00 -1.74 0.00 0.00 39.64 38.60 1r27 n ILE 245 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1r27 n PHE 246 N 1.21 -1.78 -4.29 4.28 7.35 -1.26 -2.18 117.46 120.79 1r27 n PHE 246 Ca 0.20 0.41 -0.33 0.00 -0.76 0.00 0.00 57.45 56.98 1r27 n PHE 246 Cb 0.57 -3.26 -0.09 0.00 0.35 0.00 0.00 39.48 37.04 1r27 n PHE 246 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1r27 h TYR 248 N -1.44 0.30 -0.13 0.00 -0.00 -1.87 0.23 116.97 114.06 1r27 h TYR 248 Ca -0.62 0.01 0.04 0.00 0.00 0.00 0.00 58.73 58.16 1r27 h TYR 248 Cb 1.34 -0.09 -0.01 0.00 0.00 0.00 0.00 36.73 37.97 1r27 h TYR 248 CO 0.55 0.09 0.11 -1.35 -0.00 0.00 0.00 178.16 177.55 1r27 h PRO 249 N 0.23 0.00 0.04 0.10 0.11 -1.88 -0.43 132.00 130.17 1r27 h PRO 249 Ca 0.41 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 66.28 1r27 h PRO 249 Cb 1.24 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1r27 h PRO 249 CO -0.10 0.00 -1.27 0.00 -0.21 0.00 0.00 178.00 176.43 1r27 h ARG 250 N 0.00 0.09 -0.93 1.05 3.08 -0.91 -3.33 114.38 113.43 1r27 h ARG 250 Ca 0.06 -0.16 0.11 0.00 0.07 0.00 0.00 59.98 60.07 1r27 h ARG 250 Cb 0.28 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.31 1r27 h ARG 250 CO -0.00 1.07 0.56 0.82 -1.07 0.00 0.00 179.97 181.36 1r27 h ILE 251 N -0.70 0.91 -0.03 2.04 1.08 -1.08 0.31 117.51 120.05 1r27 h ILE 251 Ca -0.31 -0.31 -0.03 0.00 -0.39 0.00 0.00 64.86 63.82 1r27 h ILE 251 Cb 1.48 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 1r27 h ILE 251 CO -0.09 0.17 -0.10 -0.33 -0.69 0.00 0.00 178.15 177.10 1r27 h GLU 252 N 0.91 0.05 -0.35 2.37 5.08 -1.25 -0.73 114.58 120.66 1r27 h GLU 252 Ca 0.46 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1r27 h GLU 252 Cb 0.43 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1r27 h GLU 252 CO -0.26 0.16 0.00 0.00 -1.00 0.00 0.00 179.01 177.91 1r27 n ALA 253 N -2.51 2.45 -1.32 3.43 0.00 -0.06 -1.08 120.51 121.42 1r27 n ALA 253 Ca -0.02 -0.67 -0.01 0.00 0.00 0.00 0.00 53.44 52.74 1r27 n ALA 253 Cb 0.19 -0.99 -0.00 0.00 0.00 0.00 0.00 19.45 18.65 1r27 n ALA 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r27 n GLY 254 N 1.14 0.42 3.75 0.00 0.00 -0.28 -4.72 105.19 105.50 1r27 n GLY 254 Ca 0.14 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 1r27 n GLY 254 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1r27 s GLN 255 N -2.67 2.60 0.74 1.61 -1.52 -0.28 -4.67 119.66 115.47 1r27 s GLN 255 Ca 0.00 -1.28 -0.11 0.00 -1.95 0.00 0.00 55.36 52.02 1r27 s GLN 255 Cb 0.00 -2.35 0.04 0.00 -0.22 0.00 0.00 33.01 30.47 1r27 s GLN 255 CO 0.00 0.31 1.08 -2.14 -0.25 0.00 0.00 175.29 174.29 1r27 s PRO 256 N -3.80 2.53 0.88 2.91 0.02 -1.26 -3.44 135.00 132.84 1r27 s PRO 256 Ca 0.34 0.92 -0.11 0.00 0.02 0.00 0.00 61.00 62.17 1r27 s PRO 256 Cb -0.06 -1.95 0.12 0.00 0.02 0.00 0.00 34.50 32.63 1r27 s PRO 256 CO 0.23 -1.38 1.09 0.95 -0.33 0.00 0.00 177.00 177.56 1r27 s THR 257 N -3.03 2.74 0.15 0.99 -4.23 -1.26 -4.70 115.64 106.29 1r27 s THR 257 Ca 0.59 0.24 -0.15 0.00 -1.18 0.00 0.00 61.69 61.20 1r27 s THR 257 Cb -0.15 -2.64 0.02 0.00 1.34 0.00 0.00 72.50 71.07 1r27 s THR 257 CO 0.55 -0.31 1.72 0.58 -0.54 0.00 0.00 174.62 176.61 1r27 h VAL 258 N -1.54 1.19 0.00 2.29 2.07 -1.94 -2.25 116.25 116.07 1r27 h VAL 258 Ca -0.48 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.49 1r27 h VAL 258 Cb 1.27 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1r27 h VAL 258 CO 0.52 0.21 0.00 0.00 0.02 0.00 0.00 177.57 178.32 1r27 h SER 260 N 0.00 0.00 -0.30 0.00 0.02 -1.81 -3.12 113.55 108.34 1r27 h SER 260 Ca 0.00 -0.64 -0.02 0.00 -0.84 0.00 0.00 61.79 60.29 1r27 h SER 260 Cb 0.33 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1r27 h SER 260 CO 0.00 1.01 0.13 -0.08 -1.14 0.00 0.00 176.83 176.75 1r27 h GLU 261 N -1.00 0.50 -0.13 3.45 4.81 -1.39 -2.37 114.58 118.45 1r27 h GLU 261 Ca -0.08 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1r27 h GLU 261 Cb 0.86 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1r27 h GLU 261 CO -0.05 0.42 0.00 0.25 -0.73 0.00 0.00 179.01 178.90 1r27 n THR 262 N -4.39 0.16 -1.88 0.32 -2.24 -0.82 -4.87 114.28 100.56 1r27 n THR 262 Ca 0.02 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 61.03 1r27 n THR 262 Cb 0.14 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1r27 n THR 262 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r27 h VAL 264 N 6.92 1.19 0.00 0.00 2.07 -1.90 -2.70 116.25 121.83 1r27 h VAL 264 Ca -0.36 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1r27 h VAL 264 Cb 1.19 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1r27 h VAL 264 CO 1.01 0.26 0.00 0.61 0.02 0.00 0.00 177.57 179.48 1r27 n GLY 265 N -0.85 -1.40 3.47 2.17 0.00 -1.26 -4.92 105.19 102.39 1r27 n GLY 265 Ca 0.00 -0.10 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 1r27 n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r27 n ARG 266 N -1.48 -7.08 -0.00 1.61 1.74 -1.02 -4.90 116.66 105.53 1r27 n ARG 266 Ca 0.07 0.83 0.07 0.00 -0.77 0.00 0.00 57.85 58.06 1r27 n ARG 266 Cb 0.30 -5.83 -0.09 0.00 -1.02 0.00 0.00 32.46 25.82 1r27 n ARG 266 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1r27 n ILE 267 N -4.44 0.00 -3.53 0.55 -5.35 -1.26 -4.98 119.36 100.34 1r27 n ILE 267 Ca -0.17 -0.16 -0.37 0.00 -0.27 0.00 0.00 62.75 61.78 1r27 n ILE 267 Cb 0.63 0.88 -0.07 0.00 -1.74 0.00 0.00 39.64 39.34 1r27 n ILE 267 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1r27 s ARG 268 N -2.56 4.15 -0.00 6.28 0.52 -1.26 -1.11 118.95 124.96 1r27 s ARG 268 Ca 0.04 0.16 0.08 0.00 -0.52 0.00 0.00 55.73 55.50 1r27 s ARG 268 Cb 0.12 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 32.19 1r27 s ARG 268 CO 0.64 0.34 -0.26 0.71 0.02 0.00 0.00 175.30 176.75 1r27 s TYR 269 N 0.14 2.34 -0.03 -0.53 2.02 0.02 -4.80 117.35 116.50 1r27 s TYR 269 Ca 0.18 -0.43 0.03 0.00 -0.37 0.00 0.00 57.07 56.49 1r27 s TYR 269 Cb -0.14 -1.48 -0.00 0.00 -0.40 0.00 0.00 41.96 39.95 1r27 s TYR 269 CO 0.06 0.00 -0.13 -0.51 -1.57 0.00 0.00 175.55 173.40 1r27 s LEU 270 N -0.76 1.86 -0.01 -1.29 1.43 0.04 -1.52 118.68 118.42 1r27 s LEU 270 Ca 0.10 -0.27 -0.28 0.00 -1.03 0.00 0.00 54.13 52.65 1r27 s LEU 270 Cb -0.10 -0.77 0.09 0.00 0.03 0.00 0.00 46.19 45.45 1r27 s LEU 270 CO -0.00 0.11 0.80 -0.83 0.23 0.00 0.00 176.35 176.66 1r27 s GLY 271 N 0.09 -0.48 0.35 -3.19 0.00 -0.98 -1.64 107.32 101.47 1r27 s GLY 271 Ca -0.03 1.19 -0.26 0.00 0.00 0.00 0.00 44.72 45.62 1r27 s GLY 271 CO 0.01 0.59 1.03 0.14 0.00 0.00 0.00 173.10 174.87 1r27 s VAL 272 N -2.39 3.79 -0.04 1.40 1.01 -1.26 -0.04 120.40 122.87 1r27 s VAL 272 Ca -0.01 1.50 0.02 0.00 0.00 0.00 0.00 61.98 63.49 1r27 s VAL 272 Cb -0.01 -3.84 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1r27 s VAL 272 CO -0.03 0.13 -0.07 -0.76 0.00 0.00 0.00 175.10 174.37 1r27 s LEU 273 N -2.20 1.56 -0.18 3.92 1.43 -0.03 -4.63 118.68 118.54 1r27 s LEU 273 Ca 0.53 -0.17 -0.09 0.00 -1.03 0.00 0.00 54.13 53.36 1r27 s LEU 273 Cb -0.23 -0.53 -0.05 0.00 0.03 0.00 0.00 46.19 45.41 1r27 s LEU 273 CO 0.30 0.00 0.13 -0.76 0.23 0.00 0.00 176.35 176.25 1r27 s LEU 274 N 0.59 4.21 0.09 1.79 1.43 -1.26 -2.10 118.68 123.44 1r27 s LEU 274 Ca -0.09 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1r27 s LEU 274 Cb -0.12 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1r27 s LEU 274 CO 0.01 0.22 -0.06 -0.72 0.23 0.00 0.00 176.35 176.03 1r27 s TYR 275 N 0.09 0.85 -0.52 0.29 -0.85 -0.28 -0.27 117.35 116.66 1r27 s TYR 275 Ca 0.09 -0.94 -0.19 0.00 -0.52 0.00 0.00 57.07 55.51 1r27 s TYR 275 Cb -0.11 -0.50 0.06 0.00 0.38 0.00 0.00 41.96 41.79 1r27 s TYR 275 CO -0.01 -0.18 0.65 0.34 -1.52 0.00 0.00 175.55 174.84 1r27 s ASP 276 N -3.03 6.23 0.42 -0.18 2.15 -0.58 -1.27 116.67 120.41 1r27 s ASP 276 Ca 0.11 -0.92 0.10 0.00 0.43 0.00 0.00 52.55 52.27 1r27 s ASP 276 Cb 0.06 -2.30 0.93 0.00 -0.30 0.00 0.00 42.92 41.31 1r27 s ASP 276 CO -0.05 -0.94 2.04 0.00 -0.17 0.00 0.00 175.17 176.05 1r27 h ALA 277 N 9.04 1.81 0.00 3.66 0.00 -0.77 -2.21 119.26 130.78 1r27 h ALA 277 Ca -0.28 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1r27 h ALA 277 Cb 1.09 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1r27 h ALA 277 CO 0.99 0.14 0.00 -0.44 0.00 0.00 0.00 179.25 179.93 1r27 h ASP 278 N 0.48 0.00 0.08 0.00 3.32 -1.92 -3.07 116.42 115.31 1r27 h ASP 278 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1r27 h ASP 278 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1r27 h ASP 278 CO -0.04 0.00 -0.50 0.00 -1.72 0.00 0.00 179.24 176.98 1r27 n ALA 279 N -1.86 3.62 -0.02 3.45 0.00 -0.83 -4.47 120.51 120.40 1r27 n ALA 279 Ca 0.02 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 52.80 1r27 n ALA 279 Cb 0.25 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 1r27 n ALA 279 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1r27 h ILE 280 N 1.63 1.00 -0.02 0.00 2.04 -1.59 -1.94 117.51 118.63 1r27 h ILE 280 Ca 0.00 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1r27 h ILE 280 Cb 0.64 0.82 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1r27 h ILE 280 CO 0.00 0.03 -0.21 -0.08 0.00 0.00 0.00 178.15 177.89 1r27 h GLU 281 N 0.17 -0.31 -0.89 2.37 4.81 -1.81 0.18 114.58 119.11 1r27 h GLU 281 Ca 0.06 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1r27 h GLU 281 Cb 0.01 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1r27 h GLU 281 CO -0.04 -0.20 0.49 -0.09 -0.73 0.00 0.00 179.01 178.44 1r27 h ARG 282 N -0.32 1.23 0.38 1.92 2.43 -1.83 -2.23 114.38 115.96 1r27 h ARG 282 Ca 0.07 -0.14 -0.02 0.00 -0.81 0.00 0.00 59.98 59.08 1r27 h ARG 282 Cb 0.41 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1r27 h ARG 282 CO -0.21 0.90 -0.18 0.00 -1.51 0.00 0.00 179.97 178.97 1r27 h ALA 283 N 1.27 -0.51 0.00 2.80 0.00 -0.72 -2.93 119.26 119.17 1r27 h ALA 283 Ca 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1r27 h ALA 283 Cb 0.02 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1r27 h ALA 283 CO -0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 179.25 178.39 1r27 h ALA 284 N 0.05 1.49 -0.53 0.00 0.00 -0.52 -2.71 119.26 117.05 1r27 h ALA 284 Ca -0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1r27 h ALA 284 Cb 0.42 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1r27 h ALA 284 CO 0.09 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.27 1r27 n SER 285 N -3.85 5.47 -4.76 0.00 3.41 -0.85 -4.86 113.62 108.17 1r27 n SER 285 Ca -0.03 -2.96 -0.39 0.00 -0.26 0.00 0.00 58.87 55.23 1r27 n SER 285 Cb 0.14 -0.67 0.02 0.00 -0.26 0.00 0.00 64.21 63.44 1r27 n SER 285 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1r27 s THR 286 N -2.79 2.17 0.10 6.66 -1.32 -1.02 -4.94 115.64 114.49 1r27 s THR 286 Ca 0.53 0.14 -0.32 0.00 -1.21 0.00 0.00 61.69 60.83 1r27 s THR 286 Cb 0.41 -3.08 -0.14 0.00 -1.51 0.00 0.00 72.50 68.18 1r27 s THR 286 CO 0.15 0.01 1.60 -0.08 -2.21 0.00 0.00 174.62 174.09 1r27 h GLU 287 N 2.02 -0.75 -5.99 7.08 4.81 -1.92 -3.42 114.58 116.41 1r27 h GLU 287 Ca -0.51 0.05 -0.57 0.00 -0.13 0.00 0.00 59.36 58.20 1r27 h GLU 287 Cb 1.28 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.77 1r27 h GLU 287 CO 0.60 -0.50 0.27 1.21 -0.73 0.00 0.00 179.01 179.85 1r27 s ASN 288 N -4.56 6.98 0.30 1.04 2.47 -1.26 -4.94 114.94 114.97 1r27 s ASN 288 Ca -0.17 1.19 0.03 0.00 0.42 0.00 0.00 52.86 54.33 1r27 s ASN 288 Cb 0.06 -2.44 0.62 0.00 -1.45 0.00 0.00 41.25 38.04 1r27 s ASN 288 CO 0.63 -0.28 1.85 -0.33 -3.72 0.00 0.00 177.10 175.24 1r27 h GLU 289 N 7.11 0.90 0.00 0.43 5.08 -1.98 -1.44 114.58 124.68 1r27 h GLU 289 Ca -0.34 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 1r27 h GLU 289 Cb 1.16 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1r27 h GLU 289 CO 0.80 0.59 0.00 1.63 -1.00 0.00 0.00 179.01 181.03 1r27 n LYS 290 N -4.59 0.04 0.00 2.33 5.02 -1.26 -1.48 118.16 118.22 1r27 n LYS 290 Ca 0.18 0.31 0.11 0.00 -2.02 0.00 0.00 58.31 56.88 1r27 n LYS 290 Cb 0.37 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1r27 n LYS 290 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1r27 n ASP 291 N -1.42 1.17 -0.31 4.39 8.00 -0.54 -4.38 116.55 123.45 1r27 n ASP 291 Ca 0.03 -1.00 0.01 0.00 0.71 0.00 0.00 54.79 54.53 1r27 n ASP 291 Cb 0.08 0.71 0.14 0.00 -0.02 0.00 0.00 41.12 42.03 1r27 n ASP 291 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1r27 h LEU 292 N 0.65 0.85 0.30 0.64 3.38 -1.34 0.13 115.31 119.91 1r27 h LEU 292 Ca 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1r27 h LEU 292 Cb 0.56 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1r27 h LEU 292 CO 0.00 0.55 -0.26 0.22 0.09 0.00 0.00 178.44 179.04 1r27 h TYR 293 N 0.99 -0.68 -0.44 1.13 3.20 -1.77 -1.20 116.97 118.20 1r27 h TYR 293 Ca 0.37 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.15 1r27 h TYR 293 Cb 0.15 0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1r27 h TYR 293 CO -0.03 -0.38 -0.12 0.37 -1.64 0.00 0.00 178.16 176.36 1r27 h GLN 294 N -0.57 0.81 0.00 1.82 5.75 -1.76 -2.33 115.11 118.83 1r27 h GLN 294 Ca -0.02 -0.28 -0.02 0.00 -0.15 0.00 0.00 58.65 58.19 1r27 h GLN 294 Cb 0.51 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.99 1r27 h GLN 294 CO -0.03 0.89 -0.09 0.00 -2.65 0.00 0.00 178.83 176.95 1r27 h ARG 295 N 0.73 0.00 0.01 1.69 2.47 -0.52 -0.71 114.38 118.04 1r27 h ARG 295 Ca 0.12 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.63 1r27 h ARG 295 Cb 0.61 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.95 1r27 h ARG 295 CO 0.04 0.09 -0.83 0.37 0.56 0.00 0.00 179.97 180.20 1r27 h GLN 296 N 0.00 0.55 -0.80 0.04 4.15 -0.71 -2.93 115.11 115.41 1r27 h GLN 296 Ca -0.00 -0.60 0.13 0.00 0.77 0.00 0.00 58.65 58.94 1r27 h GLN 296 Cb 0.16 0.17 -0.06 0.00 0.21 0.00 0.00 27.48 27.97 1r27 h GLN 296 CO 0.01 1.22 0.52 -0.07 -1.93 0.00 0.00 178.83 178.59 1r27 h LEU 297 N 0.13 0.57 -1.63 -2.39 3.38 -0.87 0.60 115.31 115.09 1r27 h LEU 297 Ca -0.11 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1r27 h LEU 297 Cb 1.51 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1r27 h LEU 297 CO 0.16 0.31 0.00 0.44 0.09 0.00 0.00 178.44 179.44 1r27 h ASP 298 N 0.61 0.00 0.61 -0.43 3.32 -0.97 -2.04 116.42 117.52 1r27 h ASP 298 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1r27 h ASP 298 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1r27 h ASP 298 CO -0.15 0.00 -0.77 1.33 -1.72 0.00 0.00 179.24 177.93 1r27 n VAL 299 N -2.63 0.21 -2.83 -1.35 0.24 0.20 -4.84 118.33 107.32 1r27 n VAL 299 Ca -0.00 -0.20 -0.41 0.00 -2.04 0.00 0.00 64.34 61.68 1r27 n VAL 299 Cb 0.15 0.10 -0.04 0.00 -1.47 0.00 0.00 33.84 32.58 1r27 n VAL 299 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1r27 s PHE 300 N -3.14 3.74 0.19 6.34 0.08 -0.77 -1.53 117.98 122.89 1r27 s PHE 300 Ca 0.06 1.64 0.05 0.00 0.12 0.00 0.00 56.93 58.81 1r27 s PHE 300 Cb 0.15 -2.97 -0.04 0.00 -0.57 0.00 0.00 43.02 39.58 1r27 s PHE 300 CO 0.75 0.18 0.15 -0.51 -0.10 0.00 0.00 175.22 175.70 1r27 s LEU 301 N 0.22 3.82 -0.39 -0.37 1.43 0.63 -4.98 118.68 119.03 1r27 s LEU 301 Ca 0.44 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 53.11 1r27 s LEU 301 Cb -0.22 -2.41 0.02 0.00 0.03 0.00 0.00 46.19 43.62 1r27 s LEU 301 CO 0.26 0.04 1.08 -0.62 0.23 0.00 0.00 176.35 177.34 1r27 s ASP 302 N -3.29 6.77 0.00 2.29 -1.08 -1.26 -4.56 116.67 115.54 1r27 s ASP 302 Ca 0.31 0.74 0.15 0.00 -0.52 0.00 0.00 52.55 53.23 1r27 s ASP 302 Cb -0.10 -2.53 0.70 0.00 -1.46 0.00 0.00 42.92 39.53 1r27 s ASP 302 CO 0.24 -1.03 1.43 -0.81 0.52 0.00 0.00 175.17 175.52 1r27 n PRO 303 N 7.26 0.14 0.00 4.34 -0.04 -1.26 -2.26 135.00 143.17 1r27 n PRO 303 Ca 0.11 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.86 1r27 n PRO 303 Cb 0.48 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 1r27 n PRO 303 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1r27 n ASN 304 N -1.36 1.82 -4.65 3.54 3.02 -1.26 -4.73 115.26 111.65 1r27 n ASN 304 Ca 0.06 -1.41 -0.43 0.00 -0.03 0.00 0.00 54.58 52.77 1r27 n ASN 304 Cb 0.14 0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 39.86 1r27 n ASN 304 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1r27 s ASP 305 N -2.52 6.99 0.43 6.41 -1.08 -0.96 -4.92 116.67 121.02 1r27 s ASP 305 Ca 0.16 1.23 0.24 0.00 -0.52 0.00 0.00 52.55 53.67 1r27 s ASP 305 Cb 0.17 -2.54 1.25 0.00 -1.46 0.00 0.00 42.92 40.34 1r27 s ASP 305 CO 0.61 -0.80 1.75 -0.65 0.52 0.00 0.00 175.17 176.59 1r27 h PRO 306 N 7.91 0.25 -0.09 4.34 0.11 -1.90 0.24 132.00 142.86 1r27 h PRO 306 Ca -0.21 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.79 1r27 h PRO 306 Cb 1.06 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1r27 h PRO 306 CO 1.01 0.17 -0.33 0.87 -0.21 0.00 0.00 178.00 179.51 1r27 h LYS 307 N 0.26 0.39 -0.50 1.05 6.56 -1.95 -2.04 116.57 120.34 1r27 h LYS 307 Ca 0.64 -0.29 0.02 0.00 -1.06 0.00 0.00 60.65 59.96 1r27 h LYS 307 Cb 1.87 0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 33.55 1r27 h LYS 307 CO -0.27 0.92 0.31 0.28 -2.06 0.00 0.00 179.45 178.63 1r27 h VAL 308 N -0.06 1.06 -0.43 0.50 2.07 -1.34 -0.18 116.25 117.86 1r27 h VAL 308 Ca -0.01 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1r27 h VAL 308 Cb 0.96 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1r27 h VAL 308 CO 0.07 0.11 0.21 0.40 0.02 0.00 0.00 177.57 178.38 1r27 h ILE 309 N 0.61 0.95 -0.35 4.57 2.04 -1.02 0.24 117.51 124.55 1r27 h ILE 309 Ca 0.20 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1r27 h ILE 309 Cb 0.00 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1r27 h ILE 309 CO -0.08 0.08 0.13 -0.08 0.00 0.00 0.00 178.15 178.19 1r27 h GLU 310 N 0.42 0.53 -0.41 2.37 4.81 -0.90 -2.15 114.58 119.25 1r27 h GLU 310 Ca 0.19 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1r27 h GLU 310 Cb 0.11 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1r27 h GLU 310 CO -0.14 0.53 0.22 0.37 -0.73 0.00 0.00 179.01 179.26 1r27 h GLN 311 N 0.41 0.57 -0.70 1.92 5.75 -0.66 -1.89 115.11 120.51 1r27 h GLN 311 Ca 0.11 -0.07 0.08 0.00 -0.15 0.00 0.00 58.65 58.63 1r27 h GLN 311 Cb 0.20 -0.11 -0.07 0.00 1.07 0.00 0.00 27.48 28.58 1r27 h GLN 311 CO -0.01 0.46 0.36 0.00 -2.65 0.00 0.00 178.83 176.99 1r27 h ALA 312 N 1.08 0.96 -0.43 3.38 0.00 -0.37 0.20 119.26 124.07 1r27 h ALA 312 Ca 0.14 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 1r27 h ALA 312 Cb 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1r27 h ALA 312 CO -0.02 -0.01 -0.08 0.82 0.00 0.00 0.00 179.25 179.96 1r27 h ILE 313 N 0.64 1.25 -0.46 0.00 2.04 -1.15 -0.67 117.51 119.16 1r27 h ILE 313 Ca 0.33 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1r27 h ILE 313 Cb 0.30 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1r27 h ILE 313 CO -0.24 0.38 0.28 0.11 0.00 0.00 0.00 178.15 178.68 1r27 h LYS 314 N 0.69 0.63 -0.10 2.37 1.57 -0.35 -1.83 116.57 119.56 1r27 h LYS 314 Ca 0.12 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1r27 h LYS 314 Cb 0.55 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1r27 h LYS 314 CO 0.03 0.47 0.00 -0.25 -0.57 0.00 0.00 179.45 179.13 1r27 n ASP 315 N -4.72 0.10 0.00 0.86 8.00 -0.08 -4.87 116.55 115.84 1r27 n ASP 315 Ca 0.02 -1.68 0.00 0.00 0.71 0.00 0.00 54.79 53.83 1r27 n ASP 315 Cb 0.06 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1r27 n ASP 315 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r27 n GLY 316 N 0.31 0.44 3.64 0.44 0.00 -0.69 -4.94 105.19 104.40 1r27 n GLY 316 Ca 0.00 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1r27 n GLY 316 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r27 s ILE 317 N -2.00 4.83 0.57 -0.61 -1.09 -0.28 -5.01 121.20 117.60 1r27 s ILE 317 Ca 0.00 1.52 -0.19 0.00 -2.23 0.00 0.00 60.65 59.75 1r27 s ILE 317 Cb 0.00 -4.12 -0.06 0.00 -1.58 0.00 0.00 42.46 36.69 1r27 s ILE 317 CO 0.00 -0.10 0.91 -2.65 -1.23 0.00 0.00 174.94 171.87 1r27 n PRO 318 N 6.04 0.92 -0.24 2.79 -0.02 -1.26 -4.35 135.00 138.88 1r27 n PRO 318 Ca 0.05 0.35 -0.05 0.00 -2.02 0.00 0.00 63.50 61.84 1r27 n PRO 318 Cb 0.48 -2.08 0.06 0.00 -0.02 0.00 0.00 33.50 31.93 1r27 n PRO 318 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1r27 h LEU 319 N 0.62 0.74 -2.22 2.45 5.85 -1.98 -1.65 115.31 119.12 1r27 h LEU 319 Ca -0.47 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.24 1r27 h LEU 319 Cb 1.36 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.22 1r27 h LEU 319 CO 0.51 0.53 0.03 0.77 -0.34 0.00 0.00 178.44 179.94 1r27 h SER 320 N 0.88 0.00 0.05 1.25 4.64 -1.98 0.10 113.55 118.49 1r27 h SER 320 Ca 0.26 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.34 1r27 h SER 320 Cb -0.06 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.05 1r27 h SER 320 CO -0.07 0.00 -0.95 0.58 -0.87 0.00 0.00 176.83 175.52 1r27 h VAL 321 N 0.00 1.35 -0.46 0.95 2.07 -1.67 -2.38 116.25 116.11 1r27 h VAL 321 Ca 0.01 -2.28 -0.03 0.00 0.82 0.00 0.00 66.70 65.22 1r27 h VAL 321 Cb 0.07 2.62 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 1r27 h VAL 321 CO -0.00 0.69 0.18 0.40 0.02 0.00 0.00 177.57 178.86 1r27 h ILE 322 N 0.13 1.21 -0.35 4.57 2.04 -0.75 -1.21 117.51 123.14 1r27 h ILE 322 Ca -0.13 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.07 1r27 h ILE 322 Cb 1.64 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 1r27 h ILE 322 CO 0.18 0.24 0.09 -0.33 0.00 0.00 0.00 178.15 178.33 1r27 h GLU 323 N 0.60 0.50 -0.30 2.37 5.08 -0.88 -1.44 114.58 120.51 1r27 h GLU 323 Ca 0.15 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 1r27 h GLU 323 Cb 0.19 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1r27 h GLU 323 CO -0.01 0.46 -0.34 0.00 -1.00 0.00 0.00 179.01 178.11 1r27 h ALA 324 N 1.61 0.84 0.00 3.43 0.00 -0.90 -2.69 119.26 121.55 1r27 h ALA 324 Ca 0.12 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 1r27 h ALA 324 Cb 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1r27 h ALA 324 CO -0.01 0.64 -0.19 0.00 0.00 0.00 0.00 179.25 179.70 1r27 h ALA 325 N 1.06 1.52 0.00 0.00 0.00 -0.17 -1.62 119.26 120.05 1r27 h ALA 325 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1r27 h ALA 325 Cb 0.85 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1r27 h ALA 325 CO 0.07 0.23 0.00 1.04 0.00 0.00 0.00 179.25 180.60 1r27 n GLN 326 N -4.07 0.21 -0.21 0.00 6.02 -0.92 -2.61 117.38 115.79 1r27 n GLN 326 Ca -0.02 0.32 0.06 0.00 -0.01 0.00 0.00 57.00 57.35 1r27 n GLN 326 Cb 0.26 -1.82 0.16 0.00 1.02 0.00 0.00 30.24 29.86 1r27 n GLN 326 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1r27 n GLN 327 N -2.19 2.64 -1.92 -1.09 1.13 -0.64 -5.03 117.38 110.27 1r27 n GLN 327 Ca 0.04 -2.30 -0.42 0.00 -1.94 0.00 0.00 57.00 52.37 1r27 n GLN 327 Cb 0.31 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 29.18 1r27 n GLN 327 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1r27 s SER 328 N -1.63 6.45 0.36 1.08 0.15 -1.02 -4.90 113.70 114.20 1r27 s SER 328 Ca 0.27 2.17 0.18 0.00 0.70 0.00 0.00 55.95 59.27 1r27 s SER 328 Cb 0.20 -2.53 0.63 0.00 -1.71 0.00 0.00 66.02 62.61 1r27 s SER 328 CO 0.08 -1.12 1.71 1.55 1.20 0.00 0.00 173.24 176.67 1r27 h PRO 329 N 10.51 0.00 -0.24 5.44 0.13 -1.84 -2.90 132.00 143.11 1r27 h PRO 329 Ca -0.40 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.58 1r27 h PRO 329 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1r27 h PRO 329 CO 0.96 0.40 -0.47 0.28 -0.23 0.00 0.00 178.00 178.94 1r27 h VAL 330 N 0.00 1.30 -0.49 1.56 2.07 -1.88 -2.11 116.25 116.71 1r27 h VAL 330 Ca -0.00 -1.67 -0.05 0.00 0.82 0.00 0.00 66.70 65.80 1r27 h VAL 330 Cb 0.93 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 1r27 h VAL 330 CO 0.05 0.53 0.12 0.22 0.02 0.00 0.00 177.57 178.51 1r27 h TYR 331 N 0.49 0.82 -0.25 1.57 3.20 -1.79 -1.56 116.97 119.45 1r27 h TYR 331 Ca 0.03 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 1r27 h TYR 331 Cb 1.00 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 1r27 h TYR 331 CO 0.04 0.74 0.15 0.87 -1.64 0.00 0.00 178.16 178.32 1r27 h LYS 332 N 0.67 0.34 0.00 1.82 1.57 -1.37 0.18 116.57 119.77 1r27 h LYS 332 Ca 0.15 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1r27 h LYS 332 Cb 0.33 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1r27 h LYS 332 CO 0.00 0.26 -0.52 0.52 -0.57 0.00 0.00 179.45 179.15 1r27 h MET 333 N 0.31 0.00 0.04 3.15 2.86 -1.29 0.16 114.93 120.17 1r27 h MET 333 Ca 0.09 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.39 1r27 h MET 333 Cb 0.01 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 1r27 h MET 333 CO -0.02 0.52 -1.93 0.00 1.06 0.00 0.00 176.91 176.55 1r27 n ALA 334 N -2.42 0.99 -0.09 6.32 0.00 -0.60 -0.41 120.51 124.30 1r27 n ALA 334 Ca -0.01 -0.72 -0.22 0.00 0.00 0.00 0.00 53.44 52.49 1r27 n ALA 334 Cb 0.54 -0.42 -0.12 0.00 0.00 0.00 0.00 19.45 19.46 1r27 n ALA 334 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1r27 h MET 335 N -0.47 0.03 0.00 0.00 2.86 -0.76 -3.36 114.93 113.23 1r27 h MET 335 Ca -0.47 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1r27 h MET 335 Cb 1.71 0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.39 1r27 h MET 335 CO -0.12 1.03 -0.04 1.49 1.06 0.00 0.00 176.91 180.33 1r27 h GLU 336 N -0.87 0.00 0.00 1.72 4.81 -1.34 -3.39 114.58 115.51 1r27 h GLU 336 Ca -0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 1r27 h GLU 336 Cb 1.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1r27 h GLU 336 CO -0.18 0.00 -0.09 0.91 -0.73 0.00 0.00 179.01 178.93 1r27 n TRP 337 N -4.10 0.50 -3.67 0.92 8.01 0.51 -4.94 117.44 114.66 1r27 n TRP 337 Ca -0.01 0.15 -0.27 0.00 -1.31 0.00 0.00 57.50 56.06 1r27 n TRP 337 Cb 0.02 -0.71 0.05 0.00 -2.01 0.00 0.00 31.31 28.65 1r27 n TRP 337 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1r27 n LYS 338 N -1.92 -6.36 -0.03 -0.99 4.76 -1.18 -4.90 118.16 107.53 1r27 n LYS 338 Ca 0.06 0.72 -0.15 0.00 -2.87 0.00 0.00 58.31 56.06 1r27 n LYS 338 Cb 0.39 -5.67 -0.14 0.00 -1.84 0.00 0.00 35.03 27.78 1r27 n LYS 338 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1r27 n LEU 339 N -4.71 1.77 -4.80 -0.35 4.77 0.46 -4.32 117.00 109.81 1r27 n LEU 339 Ca 0.01 0.21 -0.39 0.00 -0.03 0.00 0.00 56.01 55.82 1r27 n LEU 339 Cb 0.55 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 1r27 n LEU 339 CO 0.67 0.66 0.30 0.00 -1.33 0.00 0.00 177.39 177.70 1r27 s ALA 340 N -2.56 3.57 0.07 -1.18 0.00 -0.20 -4.22 121.76 117.24 1r27 s ALA 340 Ca -0.16 0.08 0.04 0.00 0.00 0.00 0.00 51.96 51.92 1r27 s ALA 340 Cb 0.07 -2.68 -0.03 0.00 0.00 0.00 0.00 23.12 20.48 1r27 s ALA 340 CO 0.77 0.38 -0.12 -0.51 0.00 0.00 0.00 175.76 176.28 1r27 s LEU 341 N -1.09 2.30 0.73 0.00 1.43 0.24 -4.67 118.68 117.61 1r27 s LEU 341 Ca 0.30 -0.64 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 1r27 s LEU 341 Cb -0.20 -0.42 0.03 0.00 0.03 0.00 0.00 46.19 45.63 1r27 s LEU 341 CO 0.20 -0.13 1.08 -2.16 0.23 0.00 0.00 176.35 175.58 1r27 s PRO 342 N -1.88 2.57 -0.20 1.29 0.04 -1.26 0.01 135.00 135.56 1r27 s PRO 342 Ca -0.02 1.13 -0.17 0.00 0.04 0.00 0.00 61.00 61.99 1r27 s PRO 342 Cb -0.09 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1r27 s PRO 342 CO 0.02 -1.40 0.43 -1.17 0.04 0.00 0.00 177.00 174.92 1r27 s LEU 343 N -5.62 4.15 -1.13 -3.56 2.96 -1.26 -4.37 118.68 109.86 1r27 s LEU 343 Ca 0.61 0.55 -0.30 0.00 -0.22 0.00 0.00 54.13 54.77 1r27 s LEU 343 Cb -0.17 -2.56 0.04 0.00 0.50 0.00 0.00 46.19 44.00 1r27 s LEU 343 CO 0.53 -0.11 0.65 1.41 -1.32 0.00 0.00 176.35 177.51 1r27 n HIS 344 N 4.60 -1.41 0.30 5.38 8.25 -0.26 -4.81 115.22 127.27 1r27 n HIS 344 Ca -0.07 0.15 0.20 0.00 -0.26 0.00 0.00 57.72 57.74 1r27 n HIS 344 Cb 0.51 -2.66 1.05 0.00 1.12 0.00 0.00 29.99 30.00 1r27 n HIS 344 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1r27 h PRO 345 N -2.18 0.00 0.00 -0.41 0.13 -1.79 -2.27 132.00 125.48 1r27 h PRO 345 Ca -0.69 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.44 1r27 h PRO 345 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1r27 h PRO 345 CO 0.48 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.30 1r27 h GLU 346 N 0.00 0.00 0.00 0.86 9.09 -1.87 -1.00 114.58 121.66 1r27 h GLU 346 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1r27 h GLU 346 Cb 0.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.17 1r27 h GLU 346 CO 0.00 0.00 0.00 1.88 0.05 0.00 0.00 179.01 180.94 1r27 h TYR 347 N 0.00 0.00 -2.23 2.06 0.05 -1.75 -3.47 116.97 111.64 1r27 h TYR 347 Ca 0.00 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.54 1r27 h TYR 347 Cb 0.21 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.96 1r27 h TYR 347 CO 0.00 0.00 -0.33 0.54 -1.05 0.00 0.00 178.16 177.32 1r27 n ARG 348 N -2.37 -1.86 0.00 4.88 1.74 -0.38 -2.33 116.66 116.34 1r27 n ARG 348 Ca 0.02 0.55 0.10 0.00 -0.77 0.00 0.00 57.85 57.75 1r27 n ARG 348 Cb 0.26 -4.67 -0.11 0.00 -1.02 0.00 0.00 32.46 26.93 1r27 n ARG 348 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1r27 n THR 349 N -3.99 0.00 -3.27 0.55 -2.24 -1.26 -4.81 114.28 99.25 1r27 n THR 349 Ca -0.11 -0.04 -0.12 0.00 -2.27 0.00 0.00 64.05 61.51 1r27 n THR 349 Cb 0.59 1.01 0.04 0.00 -2.10 0.00 0.00 70.33 69.87 1r27 n THR 349 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1r27 n LEU 350 N -1.40 -5.46 -4.65 3.22 4.32 -1.26 -0.12 117.00 111.66 1r27 n LEU 350 Ca 0.04 -0.53 -0.35 0.00 -0.02 0.00 0.00 56.01 55.15 1r27 n LEU 350 Cb 0.32 -3.04 0.10 0.00 -1.62 0.00 0.00 43.42 39.18 1r27 n LEU 350 CO 0.40 -0.30 0.63 -0.81 -1.22 0.00 0.00 177.39 176.10 1r27 n PRO 351 N -2.78 0.47 -0.08 3.23 -0.04 -1.26 -1.61 135.00 132.93 1r27 n PRO 351 Ca -0.06 0.22 0.03 0.00 -0.04 0.00 0.00 63.50 63.65 1r27 n PRO 351 Cb 0.57 -2.31 0.07 0.00 -0.04 0.00 0.00 33.50 31.79 1r27 n PRO 351 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1r27 n MET 352 N -2.27 2.79 -4.04 0.54 2.81 -0.03 -4.84 117.12 112.07 1r27 n MET 352 Ca 0.13 -1.83 -0.32 0.00 -1.81 0.00 0.00 57.70 53.87 1r27 n MET 352 Cb 0.50 -1.17 -0.15 0.00 -0.71 0.00 0.00 33.22 31.69 1r27 n MET 352 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1r27 s VAL 353 N -1.28 2.26 0.38 2.03 1.01 -1.24 -2.62 120.40 120.94 1r27 s VAL 353 Ca 0.12 -1.88 0.07 0.00 0.00 0.00 0.00 61.98 60.29 1r27 s VAL 353 Cb 0.08 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1r27 s VAL 353 CO 0.05 -0.24 0.44 0.26 0.00 0.00 0.00 175.10 175.61 1r27 s TRP 354 N 1.04 2.86 0.03 5.22 0.52 0.03 -4.29 118.94 124.35 1r27 s TRP 354 Ca -0.02 -0.37 0.02 0.00 0.02 0.00 0.00 56.10 55.76 1r27 s TRP 354 Cb -0.20 -2.12 -0.02 0.00 -1.15 0.00 0.00 33.47 29.98 1r27 s TRP 354 CO -0.06 -0.13 -0.08 0.71 0.02 0.00 0.00 176.95 177.41 1r27 s TYR 355 N -2.34 0.69 -0.25 -1.98 2.02 0.10 -0.70 117.35 114.89 1r27 s TYR 355 Ca 0.48 -0.36 -0.11 0.00 -0.37 0.00 0.00 57.07 56.71 1r27 s TYR 355 Cb -0.07 -0.42 -0.05 0.00 -0.40 0.00 0.00 41.96 41.02 1r27 s TYR 355 CO 0.30 -0.04 0.19 0.08 -1.57 0.00 0.00 175.55 174.50 1r27 s VAL 356 N -0.94 5.33 0.74 0.71 1.01 -0.33 0.82 120.40 127.74 1r27 s VAL 356 Ca -0.05 0.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.00 1r27 s VAL 356 Cb -0.07 -3.53 0.04 0.00 0.00 0.00 0.00 36.38 32.82 1r27 s VAL 356 CO 0.00 0.31 1.23 -2.16 0.00 0.00 0.00 175.10 174.48 1r27 s PRO 357 N 1.26 2.05 0.21 2.72 0.04 -1.26 -1.76 135.00 138.27 1r27 s PRO 357 Ca 0.08 1.83 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 1r27 s PRO 357 Cb -0.14 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1r27 s PRO 357 CO 0.06 -1.92 0.56 -1.25 0.04 0.00 0.00 177.00 174.50 1r27 s PRO 358 N -3.87 3.88 0.74 0.56 0.04 -1.26 -4.12 135.00 130.97 1r27 s PRO 358 Ca 0.76 0.38 -0.06 0.00 0.04 0.00 0.00 61.00 62.11 1r27 s PRO 358 Cb -0.31 -2.72 0.10 0.00 0.04 0.00 0.00 34.50 31.60 1r27 s PRO 358 CO 0.46 0.36 1.04 -0.51 0.04 0.00 0.00 177.00 178.38 1r27 s LEU 359 N -2.55 2.88 0.28 -3.56 1.43 -1.26 -4.93 118.68 110.96 1r27 s LEU 359 Ca 0.45 0.20 -0.20 0.00 -1.03 0.00 0.00 54.13 53.56 1r27 s LEU 359 Cb -0.12 -2.71 0.02 0.00 0.03 0.00 0.00 46.19 43.40 1r27 s LEU 359 CO 0.20 -1.80 0.68 -0.94 0.23 0.00 0.00 176.35 174.73 1r27 s SER 360 N -4.62 -0.23 0.85 2.29 1.04 -1.26 -4.97 113.70 106.81 1r27 s SER 360 Ca 0.63 -0.67 -0.11 0.00 0.48 0.00 0.00 55.95 56.29 1r27 s SER 360 Cb -0.08 0.71 0.11 0.00 0.10 0.00 0.00 66.02 66.86 1r27 s SER 360 CO 0.45 -1.32 1.14 -2.84 0.98 0.00 0.00 173.24 171.65 1r27 s PRO 361 N -3.91 1.47 0.77 4.02 0.02 -1.26 -4.52 135.00 131.59 1r27 s PRO 361 Ca 0.13 1.50 -0.11 0.00 0.02 0.00 0.00 61.00 62.54 1r27 s PRO 361 Cb -0.05 -1.78 0.05 0.00 0.02 0.00 0.00 34.50 32.74 1r27 s PRO 361 CO 0.07 -2.29 1.08 0.96 -0.33 0.00 0.00 177.00 176.50 1r27 s ILE 362 N -2.61 3.45 0.62 2.83 -4.36 -1.26 -0.48 121.20 119.39 1r27 s ILE 362 Ca 0.67 0.47 -0.19 0.00 -0.26 0.00 0.00 60.65 61.34 1r27 s ILE 362 Cb -0.22 -3.06 -0.02 0.00 1.25 0.00 0.00 42.46 40.40 1r27 s ILE 362 CO 0.55 -0.61 1.32 -1.10 0.24 0.00 0.00 174.94 175.34 1r27 s GLN 363 N -4.98 2.71 0.44 0.37 -0.21 -0.10 -4.52 119.66 113.37 1r27 s GLN 363 Ca 0.60 2.12 -0.22 0.00 0.02 0.00 0.00 55.36 57.89 1r27 s GLN 363 Cb -0.16 -1.96 -0.10 0.00 1.00 0.00 0.00 33.01 31.79 1r27 s GLN 363 CO 0.56 -1.49 1.00 -1.12 -2.12 0.00 0.00 175.29 172.11 1r27 s SER 364 N -1.26 6.71 0.00 5.90 0.01 -1.26 -4.96 113.70 118.83 1r27 s SER 364 Ca 0.80 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.90 1r27 s SER 364 Cb -0.39 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.29 1r27 s SER 364 CO 0.42 -0.52 0.03 0.00 0.41 0.00 0.00 173.24 173.57 1r27 n ALA 365 N -0.60 0.23 0.00 1.44 0.00 -1.26 -5.05 120.51 115.27 1r27 n ALA 365 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1r27 n ALA 365 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1r27 n ALA 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1r27 n ALA 366 N 0.00 0.00 -2.17 0.00 0.00 -1.26 -4.88 120.51 112.20 1r27 n ALA 366 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1r27 n ALA 366 Cb 0.31 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 1r27 n ALA 366 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1r27 s ASP 367 N 0.00 7.43 0.00 0.00 -4.77 -1.26 -4.93 116.67 113.14 1r27 s ASP 367 Ca 0.00 1.71 0.09 0.00 -3.30 0.00 0.00 52.55 51.05 1r27 s ASP 367 Cb 0.00 -2.55 0.42 0.00 -1.09 0.00 0.00 42.92 39.70 1r27 s ASP 367 CO 0.00 0.04 1.25 0.00 0.70 0.00 0.00 175.17 177.15 1r27 n ALA 368 N 2.39 1.49 -0.88 2.11 0.00 -1.26 -4.98 120.51 119.37 1r27 n ALA 368 Ca -0.01 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.47 1r27 n ALA 368 Cb 0.49 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 1r27 n ALA 368 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r27 n GLY 369 N -0.54 -1.64 3.44 0.00 0.00 -1.26 -4.99 105.19 100.20 1r27 n GLY 369 Ca 0.03 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.64 1r27 n GLY 369 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1r27 s GLU 370 N -0.96 1.75 0.27 1.61 -1.05 -1.26 -5.11 118.70 113.94 1r27 s GLU 370 Ca 0.00 -2.03 -0.31 0.00 -0.15 0.00 0.00 54.97 52.49 1r27 s GLU 370 Cb 0.00 -0.50 -0.13 0.00 -0.44 0.00 0.00 34.13 33.07 1r27 s GLU 370 CO 0.00 -0.40 1.50 1.28 0.95 0.00 0.00 175.26 178.58 1r27 n LEU 371 N -0.75 3.71 0.00 1.83 4.32 -1.26 -5.00 117.00 119.85 1r27 n LEU 371 Ca -0.03 1.14 0.00 0.00 -0.02 0.00 0.00 56.01 57.11 1r27 n LEU 371 Cb 0.65 -1.51 0.00 0.00 -1.62 0.00 0.00 43.42 40.94 1r27 n LEU 371 CO 0.37 -0.18 0.00 0.61 -1.22 0.00 0.00 177.39 176.97 1r27 n GLY 372 N 2.17 4.48 0.28 -0.72 0.00 -1.01 -4.91 105.19 105.49 1r27 n GLY 372 Ca 0.10 -2.00 0.02 0.00 0.00 0.00 0.00 46.02 44.14 1r27 n GLY 372 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1r27 h SER 373 N 0.00 0.57 -0.45 1.61 0.02 -1.94 -1.83 113.55 111.53 1r27 h SER 373 Ca 0.00 0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.86 1r27 h SER 373 Cb 0.00 -0.05 -0.09 0.00 0.14 0.00 0.00 62.40 62.40 1r27 h SER 373 CO 0.00 0.33 0.18 0.59 -1.14 0.00 0.00 176.83 176.79 1r27 n ASN 374 N -4.80 3.57 0.00 3.07 3.02 -1.26 -4.99 115.26 113.87 1r27 n ASN 374 Ca 0.12 -2.72 0.00 0.00 -0.03 0.00 0.00 54.58 51.95 1r27 n ASN 374 Cb 0.26 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1r27 n ASN 374 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1r27 n GLY 375 N -0.03 2.69 0.06 7.41 0.00 -0.69 -2.37 105.19 112.25 1r27 n GLY 375 Ca 0.25 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1r27 n GLY 375 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1r27 n ILE 376 N 0.00 0.36 -2.34 -0.61 -5.35 -1.26 -2.40 119.36 107.77 1r27 n ILE 376 Ca 0.00 -0.19 -0.29 0.00 -0.27 0.00 0.00 62.75 62.00 1r27 n ILE 376 Cb 0.00 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 37.47 1r27 n ILE 376 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1r27 s LEU 377 N -3.98 3.46 0.59 7.28 1.43 -1.00 -5.02 118.68 121.45 1r27 s LEU 377 Ca 0.11 1.11 -0.18 0.00 -1.03 0.00 0.00 54.13 54.14 1r27 s LEU 377 Cb 0.15 -4.10 -0.03 0.00 0.03 0.00 0.00 46.19 42.23 1r27 s LEU 377 CO 0.61 -0.70 1.12 -2.84 0.23 0.00 0.00 176.35 174.76 1r27 s PRO 378 N -4.92 3.13 -0.07 1.29 0.02 -1.26 -4.42 135.00 128.77 1r27 s PRO 378 Ca 0.50 1.51 -0.04 0.00 0.02 0.00 0.00 61.00 63.00 1r27 s PRO 378 Cb -0.11 -1.98 -0.04 0.00 0.02 0.00 0.00 34.50 32.39 1r27 s PRO 378 CO 0.48 -1.01 0.10 -0.51 -0.33 0.00 0.00 177.00 175.73 1r27 s ASP 379 N -2.12 5.94 0.43 2.53 1.01 -1.26 -4.71 116.67 118.49 1r27 s ASP 379 Ca 0.70 0.30 0.23 0.00 0.71 0.00 0.00 52.55 54.49 1r27 s ASP 379 Cb -0.22 -1.81 1.22 0.00 1.01 0.00 0.00 42.92 43.12 1r27 s ASP 379 CO 0.33 0.35 1.77 1.62 0.21 0.00 0.00 175.17 179.45 1r27 h VAL 380 N 3.68 0.47 0.00 -1.27 3.04 -1.94 -0.98 116.25 119.24 1r27 h VAL 380 Ca -0.52 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 1r27 h VAL 380 Cb 1.20 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.64 1r27 h VAL 380 CO 0.60 0.05 0.00 -0.33 -1.01 0.00 0.00 177.57 176.88 1r27 h GLU 381 N 0.28 0.00 -0.35 4.17 3.07 -2.00 -3.09 114.58 116.67 1r27 h GLU 381 Ca 0.61 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 1r27 h GLU 381 Cb 1.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.66 1r27 h GLU 381 CO -0.25 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.23 1r27 n SER 382 N -2.42 3.12 -4.77 1.42 3.41 -0.37 -4.99 113.62 109.03 1r27 n SER 382 Ca 0.01 -1.90 -0.40 0.00 -0.26 0.00 0.00 58.87 56.31 1r27 n SER 382 Cb 0.19 -0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 63.90 1r27 n SER 382 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1r27 s LEU 383 N -1.22 4.32 0.48 1.04 1.43 -1.17 -0.93 118.68 122.63 1r27 s LEU 383 Ca 0.31 2.70 0.29 0.00 -1.03 0.00 0.00 54.13 56.40 1r27 s LEU 383 Cb 0.18 -3.77 0.93 0.00 0.03 0.00 0.00 46.19 43.56 1r27 s LEU 383 CO 0.25 -0.71 1.82 0.08 0.23 0.00 0.00 176.35 178.02 1r27 h ARG 384 N 3.02 0.00 -5.99 1.70 0.11 -1.01 -3.42 114.38 108.79 1r27 h ARG 384 Ca -0.49 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.00 1r27 h ARG 384 Cb 1.24 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.23 1r27 h ARG 384 CO 0.64 0.00 0.59 0.42 0.10 0.00 0.00 179.97 181.72 1r27 s ILE 385 N -3.45 4.68 -0.10 0.08 1.01 -1.26 -4.94 121.20 117.22 1r27 s ILE 385 Ca 0.04 1.44 -0.35 0.00 0.00 0.00 0.00 60.65 61.78 1r27 s ILE 385 Cb 0.08 -4.26 -0.13 0.00 0.01 0.00 0.00 42.46 38.16 1r27 s ILE 385 CO 0.59 -0.33 1.82 -0.81 0.00 0.00 0.00 174.94 176.21 1r27 n PRO 386 N 6.46 1.97 0.28 2.79 -0.04 -1.26 -4.83 135.00 140.37 1r27 n PRO 386 Ca 0.07 0.72 0.14 0.00 -0.04 0.00 0.00 63.50 64.40 1r27 n PRO 386 Cb 0.48 -2.53 0.81 0.00 -0.04 0.00 0.00 33.50 32.22 1r27 n PRO 386 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1r27 h VAL 387 N 5.22 0.48 -0.34 0.52 3.04 -1.93 -1.43 116.25 121.81 1r27 h VAL 387 Ca -0.48 -0.37 -0.09 0.00 -1.01 0.00 0.00 66.70 64.76 1r27 h VAL 387 Cb 1.28 1.25 -0.02 0.00 -2.01 0.00 0.00 31.29 31.79 1r27 h VAL 387 CO 0.94 0.08 -0.16 -0.61 -1.01 0.00 0.00 177.57 176.81 1r27 h GLN 388 N 0.00 0.62 -0.20 4.17 5.75 -1.95 -0.60 115.11 122.89 1r27 h GLN 388 Ca -0.00 -0.20 0.01 0.00 -0.15 0.00 0.00 58.65 58.30 1r27 h GLN 388 Cb 0.24 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1r27 h GLN 388 CO 0.01 0.75 0.12 -0.92 -2.65 0.00 0.00 178.83 176.13 1r27 h TYR 389 N 0.56 0.22 -0.28 3.99 3.20 -1.51 -1.27 116.97 121.88 1r27 h TYR 389 Ca 0.09 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.91 1r27 h TYR 389 Cb 0.59 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 1r27 h TYR 389 CO 0.02 0.13 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.51 1r27 h LEU 390 N 0.24 0.43 -0.57 2.82 3.38 -1.38 -2.57 115.31 117.66 1r27 h LEU 390 Ca 0.08 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1r27 h LEU 390 Cb -0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1r27 h LEU 390 CO -0.03 0.58 -0.16 0.00 0.09 0.00 0.00 178.44 178.92 1r27 h ALA 391 N 1.47 0.77 -0.31 1.53 0.00 -0.66 0.15 119.26 122.22 1r27 h ALA 391 Ca 0.08 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1r27 h ALA 391 Cb 0.44 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1r27 h ALA 391 CO 0.02 0.67 -0.05 -0.91 0.00 0.00 0.00 179.25 178.98 1r27 h ASN 392 N 0.86 0.46 0.07 0.00 2.35 -0.95 0.63 115.58 118.99 1r27 h ASN 392 Ca 0.13 -0.10 -0.23 0.00 -0.55 0.00 0.00 56.30 55.55 1r27 h ASN 392 Cb 0.72 -0.12 0.02 0.00 0.05 0.00 0.00 38.32 38.99 1r27 h ASN 392 CO 0.06 0.56 -0.94 0.25 -1.65 0.00 0.00 177.43 175.71 1r27 h LEU 393 N 0.46 0.72 0.00 1.61 5.85 -1.12 -3.40 115.31 119.42 1r27 h LEU 393 Ca 0.10 -0.81 -0.10 0.00 0.84 0.00 0.00 57.88 57.91 1r27 h LEU 393 Cb 0.38 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1r27 h LEU 393 CO 0.02 1.45 -1.59 0.18 -0.34 0.00 0.00 178.44 178.15 1r27 n LEU 394 N -3.99 0.00 -2.57 2.25 4.77 0.50 -1.10 117.00 116.86 1r27 n LEU 394 Ca -0.12 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.77 1r27 n LEU 394 Cb 0.85 0.13 0.04 0.00 -2.33 0.00 0.00 43.42 42.11 1r27 n LEU 394 CO 0.53 0.13 0.05 0.35 -1.33 0.00 0.00 177.39 177.12 1r27 n THR 395 N -2.14 1.66 -3.40 -5.08 -2.24 0.21 -4.20 114.28 99.09 1r27 n THR 395 Ca -0.10 -3.38 -0.24 0.00 -2.27 0.00 0.00 64.05 58.07 1r27 n THR 395 Cb 0.58 0.46 -0.00 0.00 -2.10 0.00 0.00 70.33 69.27 1r27 n THR 395 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1r27 n ALA 396 N -0.60 -1.07 0.00 6.98 0.00 -0.93 -1.19 120.51 123.70 1r27 n ALA 396 Ca 0.19 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1r27 n ALA 396 Cb 0.85 -2.86 0.00 0.00 0.00 0.00 0.00 19.45 17.44 1r27 n ALA 396 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1r27 n GLY 397 N -1.20 2.13 3.60 0.00 0.00 -0.38 -4.77 105.19 104.57 1r27 n GLY 397 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 1r27 n GLY 397 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r27 s ASP 398 N -2.45 6.61 0.00 1.61 2.15 -0.33 -4.74 116.67 119.51 1r27 s ASP 398 Ca 0.00 0.52 0.19 0.00 0.43 0.00 0.00 52.55 53.68 1r27 s ASP 398 Cb 0.00 -2.55 0.80 0.00 -0.30 0.00 0.00 42.92 40.87 1r27 s ASP 398 CO 0.00 -1.27 1.60 0.35 -0.17 0.00 0.00 175.17 175.68 1r27 n THR 399 N 6.85 0.71 0.17 1.71 -2.24 -1.26 -4.01 114.28 116.22 1r27 n THR 399 Ca 0.12 0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.94 1r27 n THR 399 Cb 0.49 -0.86 -0.08 0.00 -2.10 0.00 0.00 70.33 67.78 1r27 n THR 399 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1r27 h LYS 400 N 0.00 -0.40 -0.36 -0.78 3.64 -1.97 -2.01 116.57 114.69 1r27 h LYS 400 Ca 0.00 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1r27 h LYS 400 Cb 0.32 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1r27 h LYS 400 CO 0.00 -0.16 0.20 -1.35 -2.27 0.00 0.00 179.45 175.86 1r27 h PRO 401 N -0.58 0.49 -0.22 1.90 0.11 -1.98 -2.34 132.00 129.39 1r27 h PRO 401 Ca -0.04 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.92 1r27 h PRO 401 Cb 0.42 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 1r27 h PRO 401 CO 0.07 0.37 -0.28 0.28 -0.21 0.00 0.00 178.00 178.23 1r27 h VAL 402 N 0.50 1.32 -0.79 3.15 2.07 -1.75 -2.54 116.25 118.21 1r27 h VAL 402 Ca 0.13 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.15 1r27 h VAL 402 Cb 0.02 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.51 1r27 h VAL 402 CO -0.02 0.45 0.37 -0.07 0.02 0.00 0.00 177.57 178.32 1r27 h LEU 403 N 0.27 1.05 -0.42 2.57 3.38 -1.16 -1.45 115.31 119.56 1r27 h LEU 403 Ca 0.03 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 1r27 h LEU 403 Cb 0.85 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1r27 h LEU 403 CO 0.07 0.90 0.24 -0.09 0.09 0.00 0.00 178.44 179.65 1r27 h ARG 404 N 1.13 0.57 0.10 1.13 2.43 -1.41 0.48 114.38 118.80 1r27 h ARG 404 Ca 0.27 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 1r27 h ARG 404 Cb 0.14 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1r27 h ARG 404 CO -0.03 0.43 -0.08 0.00 -1.51 0.00 0.00 179.97 178.78 1r27 h ALA 405 N 1.10 -0.17 -0.51 2.80 0.00 -1.09 -0.38 119.26 121.02 1r27 h ALA 405 Ca 0.15 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1r27 h ALA 405 Cb 0.02 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1r27 h ALA 405 CO -0.03 -0.61 0.03 -0.07 0.00 0.00 0.00 179.25 178.57 1r27 h LEU 406 N -0.19 0.79 -0.75 0.00 3.38 -1.06 -2.63 115.31 114.85 1r27 h LEU 406 Ca 0.00 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1r27 h LEU 406 Cb 0.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1r27 h LEU 406 CO -0.02 0.84 -0.06 0.50 0.09 0.00 0.00 178.44 179.79 1r27 h LYS 407 N 0.78 0.89 -0.26 1.13 3.64 0.33 -2.10 116.57 120.98 1r27 h LYS 407 Ca 0.15 -0.29 -0.13 0.00 -1.27 0.00 0.00 60.65 59.12 1r27 h LYS 407 Cb 0.43 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1r27 h LYS 407 CO 0.02 0.93 -0.38 0.00 -2.27 0.00 0.00 179.45 177.74 1r27 h ARG 408 N 0.81 0.60 -0.47 1.90 3.08 -0.89 -0.50 114.38 118.91 1r27 h ARG 408 Ca 0.14 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 1r27 h ARG 408 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1r27 h ARG 408 CO 0.03 0.89 0.02 0.52 -1.07 0.00 0.00 179.97 180.36 1r27 h MET 409 N 0.50 0.82 -0.20 0.04 2.86 -1.30 -1.13 114.93 116.51 1r27 h MET 409 Ca 0.05 -0.25 -0.08 0.00 -2.06 0.00 0.00 59.70 57.35 1r27 h MET 409 Cb 0.88 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1r27 h MET 409 CO 0.08 0.86 -0.24 -0.07 1.06 0.00 0.00 176.91 178.59 1r27 h LEU 410 N 0.67 0.36 -0.49 1.22 3.38 -1.22 -2.53 115.31 116.71 1r27 h LEU 410 Ca 0.14 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1r27 h LEU 410 Cb 0.48 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1r27 h LEU 410 CO 0.02 0.61 0.02 0.00 0.09 0.00 0.00 178.44 179.18 1r27 h ALA 411 N 1.43 0.65 -0.74 1.53 0.00 -0.70 -1.87 119.26 119.55 1r27 h ALA 411 Ca 0.05 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1r27 h ALA 411 Cb 0.61 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1r27 h ALA 411 CO 0.04 0.44 0.48 1.98 0.00 0.00 0.00 179.25 182.19 1r27 h MET 412 N 0.70 0.92 -0.58 0.00 1.85 -0.95 -0.70 114.93 116.18 1r27 h MET 412 Ca 0.14 -0.06 -0.02 0.00 -0.61 0.00 0.00 59.70 59.16 1r27 h MET 412 Cb 0.48 -0.21 -0.03 0.00 0.43 0.00 0.00 31.60 32.27 1r27 h MET 412 CO 0.02 0.61 0.29 0.00 -0.40 0.00 0.00 176.91 177.43 1r27 h ARG 413 N 0.95 0.82 -0.35 0.39 3.08 -1.13 -0.20 114.38 117.94 1r27 h ARG 413 Ca 0.29 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1r27 h ARG 413 Cb -0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 1r27 h ARG 413 CO -0.09 0.65 0.18 1.25 -1.07 0.00 0.00 179.97 180.89 1r27 h HIS 414 N 0.78 0.49 -0.30 3.04 2.76 -0.85 -0.17 115.15 120.89 1r27 h HIS 414 Ca 0.20 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1r27 h HIS 414 Cb 0.09 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 1r27 h HIS 414 CO -0.01 0.41 0.19 -0.92 -1.30 0.00 0.00 177.93 176.30 1r27 h TYR 415 N 0.43 0.39 0.00 5.26 3.20 -0.92 -2.53 116.97 122.80 1r27 h TYR 415 Ca 0.12 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.90 1r27 h TYR 415 Cb 0.09 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1r27 h TYR 415 CO -0.02 0.27 -0.46 0.87 -1.64 0.00 0.00 178.16 177.18 1r27 h LYS 416 N 0.40 0.00 -0.11 1.82 1.79 -0.84 -2.52 116.57 117.11 1r27 h LYS 416 Ca 0.11 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.54 1r27 h LYS 416 Cb -0.02 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1r27 h LYS 416 CO -0.02 0.46 -0.09 -0.09 -1.08 0.00 0.00 179.45 178.62 1r27 h ARG 417 N 0.00 0.26 -0.69 3.15 2.43 -0.82 0.11 114.38 118.82 1r27 h ARG 417 Ca -0.00 -0.13 0.10 0.00 -0.81 0.00 0.00 59.98 59.13 1r27 h ARG 417 Cb 0.83 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.30 1r27 h ARG 417 CO 0.06 0.65 0.32 0.00 -1.51 0.00 0.00 179.97 179.49 1r27 h ALA 418 N 0.61 0.94 -0.06 2.80 0.00 -1.38 0.55 119.26 122.71 1r27 h ALA 418 Ca 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1r27 h ALA 418 Cb 0.59 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1r27 h ALA 418 CO 0.02 -0.10 -0.02 1.49 0.00 0.00 0.00 179.25 180.64 1r27 h GLU 419 N 0.53 0.11 0.00 0.00 4.81 -1.18 0.13 114.58 118.99 1r27 h GLU 419 Ca 0.35 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1r27 h GLU 419 Cb 0.40 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1r27 h GLU 419 CO -0.29 0.47 -0.47 0.25 -0.73 0.00 0.00 179.01 178.24 1r27 n THR 420 N -4.81 0.17 -0.06 0.32 -2.24 0.35 -2.37 114.28 105.64 1r27 n THR 420 Ca -0.07 -0.12 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 1r27 n THR 420 Cb 0.23 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.39 1r27 n THR 420 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1r27 n VAL 421 N -1.78 0.64 0.99 2.28 0.31 0.19 -4.69 118.33 116.27 1r27 n VAL 421 Ca 0.05 -0.16 0.12 0.00 -0.01 0.00 0.00 64.34 64.33 1r27 n VAL 421 Cb 0.38 -1.63 0.26 0.00 -0.91 0.00 0.00 33.84 31.93 1r27 n VAL 421 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1r27 n ASP 422 N -3.50 0.49 -2.03 4.52 8.00 -0.63 -4.94 116.55 118.46 1r27 n ASP 422 Ca -0.23 -0.23 -0.19 0.00 0.71 0.00 0.00 54.79 54.85 1r27 n ASP 422 Cb 0.66 0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.97 1r27 n ASP 422 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r27 n GLY 423 N 1.50 0.13 3.47 0.44 0.00 0.32 -4.95 105.19 106.10 1r27 n GLY 423 Ca 0.05 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 1r27 n GLY 423 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r27 s LYS 424 N -4.64 1.66 -0.36 1.61 -2.85 -0.47 -4.93 119.74 109.75 1r27 s LYS 424 Ca 0.00 -1.88 -0.13 0.00 -1.00 0.00 0.00 55.97 52.96 1r27 s LYS 424 Cb 0.00 -1.19 -0.01 0.00 -2.06 0.00 0.00 37.83 34.58 1r27 s LYS 424 CO 0.00 -0.03 0.25 0.08 0.10 0.00 0.00 175.35 175.75 1r27 s VAL 425 N -3.02 5.22 -0.22 1.79 1.01 -1.26 -2.58 120.40 121.33 1r27 s VAL 425 Ca 0.32 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 1r27 s VAL 425 Cb 0.06 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.76 1r27 s VAL 425 CO 0.14 -0.09 0.03 -0.62 0.00 0.00 0.00 175.10 174.56 1r27 s ASP 426 N 1.70 3.29 -0.12 3.32 -1.08 -1.26 -4.99 116.67 117.53 1r27 s ASP 426 Ca 0.06 -1.04 0.15 0.00 -0.52 0.00 0.00 52.55 51.19 1r27 s ASP 426 Cb -0.18 -0.74 0.51 0.00 -1.46 0.00 0.00 42.92 41.05 1r27 s ASP 426 CO 0.10 -0.32 1.43 0.35 0.52 0.00 0.00 175.17 177.25 1r27 n THR 427 N 4.95 1.84 0.07 1.71 -2.24 -1.26 -4.48 114.28 114.88 1r27 n THR 427 Ca -0.08 -1.46 -0.12 0.00 -2.27 0.00 0.00 64.05 60.11 1r27 n THR 427 Cb 0.46 0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 1r27 n THR 427 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1r27 h ARG 428 N 2.40 -0.49 -0.64 -0.78 2.43 -1.98 -0.10 114.38 115.22 1r27 h ARG 428 Ca 0.00 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1r27 h ARG 428 Cb 1.26 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.89 1r27 h ARG 428 CO 0.17 -0.33 0.41 0.00 -1.51 0.00 0.00 179.97 178.72 1r27 h ALA 429 N 0.17 0.82 -0.47 2.80 0.00 -1.89 -2.21 119.26 118.48 1r27 h ALA 429 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1r27 h ALA 429 Cb 0.58 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1r27 h ALA 429 CO -0.26 0.20 0.29 -0.07 0.00 0.00 0.00 179.25 179.40 1r27 h LEU 430 N 0.82 0.47 -0.47 0.00 3.38 -1.72 -2.63 115.31 115.16 1r27 h LEU 430 Ca 0.24 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.26 1r27 h LEU 430 Cb -0.05 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 1r27 h LEU 430 CO -0.07 0.34 0.20 -0.33 0.09 0.00 0.00 178.44 178.67 1r27 h GLU 431 N 0.58 0.39 -0.47 1.13 5.08 -0.64 -0.47 114.58 120.18 1r27 h GLU 431 Ca 0.18 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1r27 h GLU 431 Cb -0.01 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1r27 h GLU 431 CO -0.07 0.26 0.30 1.49 -1.00 0.00 0.00 179.01 179.99 1r27 h GLU 432 N 0.40 0.62 -0.23 2.33 4.81 -1.07 -2.35 114.58 119.10 1r27 h GLU 432 Ca 0.22 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1r27 h GLU 432 Cb 0.18 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1r27 h GLU 432 CO -0.19 0.42 0.00 1.33 -0.73 0.00 0.00 179.01 179.84 1r27 n VAL 433 N -4.46 0.28 -1.60 0.32 0.24 -0.94 -4.97 118.33 107.20 1r27 n VAL 433 Ca 0.04 -0.55 -0.03 0.00 -2.04 0.00 0.00 64.34 61.77 1r27 n VAL 433 Cb 0.06 0.88 -0.01 0.00 -1.47 0.00 0.00 33.84 33.30 1r27 n VAL 433 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r27 n GLY 434 N 1.35 0.41 3.67 7.63 0.00 -0.55 -4.98 105.19 112.72 1r27 n GLY 434 Ca 0.17 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 1r27 n GLY 434 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1r27 s LEU 435 N -0.70 3.49 0.50 0.99 1.43 -0.29 -5.02 118.68 119.09 1r27 s LEU 435 Ca 0.00 -0.00 -0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1r27 s LEU 435 Cb 0.00 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.25 1r27 s LEU 435 CO 0.00 0.29 0.75 0.42 0.23 0.00 0.00 176.35 178.04 1r27 s THR 436 N -1.06 3.71 0.23 5.49 -4.23 -1.26 -4.15 115.64 114.38 1r27 s THR 436 Ca 0.19 -0.39 -0.08 0.00 -1.18 0.00 0.00 61.69 60.23 1r27 s THR 436 Cb -0.11 -3.40 0.21 0.00 1.34 0.00 0.00 72.50 70.54 1r27 s THR 436 CO 0.09 -0.32 1.90 -0.33 -0.54 0.00 0.00 174.62 175.42 1r27 h GLU 437 N 0.19 1.20 -0.81 3.99 5.08 -1.98 -1.81 114.58 120.44 1r27 h GLU 437 Ca -0.45 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1r27 h GLU 437 Cb 1.26 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.21 1r27 h GLU 437 CO 0.57 0.81 0.54 0.00 -1.00 0.00 0.00 179.01 179.93 1r27 h ALA 438 N 1.32 1.03 -0.19 3.43 0.00 -1.99 -0.17 119.26 122.69 1r27 h ALA 438 Ca 0.33 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1r27 h ALA 438 Cb -0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 1r27 h ALA 438 CO -0.07 0.44 0.05 1.96 0.00 0.00 0.00 179.25 181.63 1r27 h GLN 439 N 1.10 0.30 -0.95 0.00 4.20 -1.82 -0.71 115.11 117.24 1r27 h GLN 439 Ca 0.30 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.97 1r27 h GLN 439 Cb -0.13 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 27.56 1r27 h GLN 439 CO -0.07 0.42 0.62 0.00 -0.67 0.00 0.00 178.83 179.14 1r27 h ALA 440 N 0.86 1.40 -0.29 3.87 0.00 -1.04 0.15 119.26 124.21 1r27 h ALA 440 Ca 0.06 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1r27 h ALA 440 Cb 0.26 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1r27 h ALA 440 CO -0.00 0.51 -0.27 1.96 0.00 0.00 0.00 179.25 181.45 1r27 h GLN 441 N 1.19 0.59 -0.02 0.00 4.20 -0.72 -1.41 115.11 118.93 1r27 h GLN 441 Ca 0.38 -0.24 -0.21 0.00 0.06 0.00 0.00 58.65 58.64 1r27 h GLN 441 Cb 0.02 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 1r27 h GLN 441 CO -0.12 0.80 -0.87 1.49 -0.67 0.00 0.00 178.83 179.47 1r27 h GLU 442 N 0.51 0.35 -0.54 1.46 4.81 -0.26 -1.96 114.58 118.96 1r27 h GLU 442 Ca 0.07 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 58.94 1r27 h GLU 442 Cb 0.73 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.18 1r27 h GLU 442 CO 0.06 1.03 0.32 0.52 -0.73 0.00 0.00 179.01 180.20 1r27 h MET 443 N 0.21 0.73 -0.44 1.92 2.86 -0.55 -1.43 114.93 118.23 1r27 h MET 443 Ca -0.06 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1r27 h MET 443 Cb 1.48 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.97 1r27 h MET 443 CO 0.14 0.54 0.24 -0.92 1.06 0.00 0.00 176.91 177.98 1r27 h TYR 444 N 0.72 0.60 -0.28 -0.22 3.20 -1.18 0.24 116.97 120.04 1r27 h TYR 444 Ca 0.19 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.08 1r27 h TYR 444 Cb 0.00 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 1r27 h TYR 444 CO -0.02 0.45 0.08 -0.09 -1.64 0.00 0.00 178.16 176.93 1r27 h ARG 445 N 0.57 0.19 -0.01 1.82 2.43 -0.96 -0.71 114.38 117.71 1r27 h ARG 445 Ca 0.15 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 59.09 1r27 h ARG 445 Cb 0.05 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1r27 h ARG 445 CO -0.03 0.13 -0.93 1.88 -1.51 0.00 0.00 179.97 179.51 1r27 h TYR 446 N 0.20 0.66 0.06 2.20 -1.99 -0.98 -1.04 116.97 116.08 1r27 h TYR 446 Ca 0.13 -0.35 -0.32 0.00 2.00 0.00 0.00 58.73 60.18 1r27 h TYR 446 Cb 0.11 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 38.73 1r27 h TYR 446 CO -0.15 1.17 -1.82 -0.07 -0.00 0.00 0.00 178.16 177.29 1r27 h LEU 447 N 0.26 0.20 0.00 3.88 3.38 -0.51 -3.32 115.31 119.20 1r27 h LEU 447 Ca -0.08 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 1r27 h LEU 447 Cb 1.56 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 1r27 h LEU 447 CO 0.16 1.39 -0.80 0.00 0.09 0.00 0.00 178.44 179.29 1r27 n ALA 448 N -2.75 0.65 -0.02 1.53 0.00 -0.28 -4.59 120.51 115.05 1r27 n ALA 448 Ca -0.23 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.48 1r27 n ALA 448 Cb 1.05 -0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.41 1r27 n ALA 448 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1r27 h ILE 449 N -1.00 1.34 -6.71 0.00 1.08 -1.55 -3.48 117.51 107.20 1r27 h ILE 449 Ca -0.04 -1.08 -0.53 0.00 -0.39 0.00 0.00 64.86 62.82 1r27 h ILE 449 Cb 0.77 1.97 0.01 0.00 -3.07 0.00 0.00 36.82 36.50 1r27 h ILE 449 CO -0.02 0.29 -0.99 0.00 -0.69 0.00 0.00 178.15 176.74 1r27 n ALA 450 N -2.34 -2.62 -1.56 1.87 0.00 -0.40 -4.92 120.51 110.53 1r27 n ALA 450 Ca -0.08 -0.46 -0.35 0.00 0.00 0.00 0.00 53.44 52.55 1r27 n ALA 450 Cb 0.25 -2.79 0.07 0.00 0.00 0.00 0.00 19.45 16.98 1r27 n ALA 450 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1r27 s ASN 451 N -3.44 4.59 0.20 0.00 0.01 -1.26 -4.72 114.94 110.32 1r27 s ASN 451 Ca 0.43 2.42 -0.14 0.00 -0.71 0.00 0.00 52.86 54.87 1r27 s ASN 451 Cb -0.21 -2.60 0.22 0.00 0.41 0.00 0.00 41.25 39.07 1r27 s ASN 451 CO 0.93 -2.00 1.64 0.22 -1.51 0.00 0.00 177.10 176.38 1r27 h TYR 452 N 0.25 -0.29 0.00 2.20 3.20 -1.98 0.25 116.97 120.60 1r27 h TYR 452 Ca -0.49 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.43 1r27 h TYR 452 Cb 1.31 0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.80 1r27 h TYR 452 CO 0.46 -0.25 0.00 1.05 -1.64 0.00 0.00 178.16 177.78 1r27 h GLU 453 N 0.01 0.00 0.00 1.82 9.09 -1.91 -2.44 114.58 121.16 1r27 h GLU 453 Ca 0.29 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.57 1r27 h GLU 453 Cb 0.44 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.52 1r27 h GLU 453 CO -0.60 0.00 -1.83 -0.25 0.05 0.00 0.00 179.01 176.38 1r27 n ASP 454 N -2.47 0.31 0.11 3.06 8.00 0.78 -4.35 116.55 121.99 1r27 n ASP 454 Ca -0.00 0.13 -0.18 0.00 0.71 0.00 0.00 54.79 55.45 1r27 n ASP 454 Cb 0.13 1.14 -0.14 0.00 -0.02 0.00 0.00 41.12 42.22 1r27 n ASP 454 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1r27 h ARG 455 N 0.00 0.33 -4.69 -1.24 3.08 -0.85 -3.44 114.38 107.57 1r27 h ARG 455 Ca -0.17 -0.56 -0.62 0.00 0.07 0.00 0.00 59.98 58.71 1r27 h ARG 455 Cb 1.43 0.21 -0.36 0.00 0.08 0.00 0.00 29.97 31.32 1r27 h ARG 455 CO 0.02 1.27 -0.83 -0.06 -1.07 0.00 0.00 179.97 179.30 1r27 s PHE 456 N -2.64 2.41 -0.54 3.04 0.08 -1.02 -0.78 117.98 118.52 1r27 s PHE 456 Ca -0.05 -1.49 0.04 0.00 0.12 0.00 0.00 56.93 55.55 1r27 s PHE 456 Cb 0.06 -1.67 0.16 0.00 -0.57 0.00 0.00 43.02 41.00 1r27 s PHE 456 CO 0.90 -0.73 0.36 0.08 -0.10 0.00 0.00 175.22 175.73 1r27 s VAL 457 N 1.40 1.80 -0.19 -0.44 1.01 -0.65 -4.71 120.40 118.62 1r27 s VAL 457 Ca 0.02 -3.30 -0.01 0.00 0.00 0.00 0.00 61.98 58.69 1r27 s VAL 457 Cb -0.15 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1r27 s VAL 457 CO -0.10 -1.01 -0.15 -0.69 0.00 0.00 0.00 175.10 173.15 1r27 s VAL 458 N -0.46 2.50 0.43 2.92 1.01 -1.26 -4.08 120.40 121.47 1r27 s VAL 458 Ca 0.24 -0.79 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 1r27 s VAL 458 Cb -0.10 -2.09 -0.09 0.00 0.00 0.00 0.00 36.38 34.10 1r27 s VAL 458 CO -0.11 0.50 0.91 -2.16 0.00 0.00 0.00 175.10 174.23 1r27 s PRO 459 N 1.33 4.06 0.69 2.72 0.04 -1.26 -4.57 135.00 138.01 1r27 s PRO 459 Ca 0.05 0.93 -0.11 0.00 0.04 0.00 0.00 61.00 61.91 1r27 s PRO 459 Cb -0.13 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1r27 s PRO 459 CO -0.09 -0.07 1.06 -1.54 0.04 0.00 0.00 177.00 176.39 1r27 s SER 460 N -2.56 5.46 -0.03 6.66 1.04 -1.26 -4.09 113.70 118.92 1r27 s SER 460 Ca 0.59 1.56 0.12 0.00 0.48 0.00 0.00 55.95 58.70 1r27 s SER 460 Cb -0.10 -2.46 0.39 0.00 0.10 0.00 0.00 66.02 63.96 1r27 s SER 460 CO 0.21 -1.38 1.29 -1.54 0.98 0.00 0.00 173.24 172.79 1r27 n SER 461 N -3.09 2.54 -3.53 7.02 3.41 -0.24 -4.88 113.62 114.85 1r27 n SER 461 Ca 0.07 -2.11 -0.23 0.00 -0.26 0.00 0.00 58.87 56.35 1r27 n SER 461 Cb 0.54 -0.35 0.05 0.00 -0.26 0.00 0.00 64.21 64.19 1r27 n SER 461 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1r27 n HIS 462 N 0.66 -2.11 0.29 7.33 8.25 -1.26 -4.84 115.22 123.54 1r27 n HIS 462 Ca 0.14 0.71 0.04 0.00 -0.26 0.00 0.00 57.72 58.36 1r27 n HIS 462 Cb 0.44 -4.00 0.18 0.00 1.12 0.00 0.00 29.99 27.74 1r27 n HIS 462 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1r27 n ARG 463 N -3.89 0.00 0.19 -0.41 5.12 -1.26 -1.84 116.66 114.57 1r27 n ARG 463 Ca -0.15 0.36 0.14 0.00 -1.93 0.00 0.00 57.85 56.27 1r27 n ARG 463 Cb 0.63 -1.50 0.54 0.00 -1.16 0.00 0.00 32.46 30.96 1r27 n ARG 463 CO 0.00 0.00 0.00 1.05 -1.93 0.00 0.00 177.63 176.75 1r27 h GLU 464 N 0.00 0.00 -0.01 5.56 9.09 -2.02 -3.56 114.58 123.64 1r27 h GLU 464 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1r27 h GLU 464 Cb 0.15 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.25 1r27 h GLU 464 CO 0.00 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34