#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r56 s VAL 3 N 0.00 3.82 -0.04 0.00 1.01 -1.26 -4.88 120.40 119.05 1r56 s VAL 3 Ca 0.00 0.92 0.13 0.00 0.00 0.00 0.00 61.98 63.03 1r56 s VAL 3 Cb 0.00 -3.84 -0.22 0.00 0.00 0.00 0.00 36.38 32.32 1r56 s VAL 3 CO 0.00 -0.35 0.71 0.11 0.00 0.00 0.00 175.10 175.57 1r56 h LYS 4 N 10.34 0.00 -1.90 2.72 1.57 -2.07 -3.48 116.57 123.74 1r56 h LYS 4 Ca -0.31 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 1r56 h LYS 4 Cb 1.14 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.25 1r56 h LYS 4 CO 1.01 0.51 0.27 0.00 -0.57 0.00 0.00 179.45 180.67 1r56 s ALA 5 N -2.62 -1.81 -0.24 3.86 0.00 -1.26 -5.18 121.76 114.52 1r56 s ALA 5 Ca -0.04 1.40 -0.26 0.00 0.00 0.00 0.00 51.96 53.07 1r56 s ALA 5 Cb 0.08 -0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.07 1r56 s ALA 5 CO 0.82 -0.35 0.71 0.00 0.00 0.00 0.00 175.76 176.94 1r56 s ALA 6 N -1.11 -1.76 -0.06 0.00 0.00 -1.26 -5.17 121.76 112.39 1r56 s ALA 6 Ca -0.09 1.91 -0.29 0.00 0.00 0.00 0.00 51.96 53.49 1r56 s ALA 6 Cb -0.00 -1.00 0.07 0.00 0.00 0.00 0.00 23.12 22.18 1r56 s ALA 6 CO 0.08 -0.34 0.64 0.50 0.00 0.00 0.00 175.76 176.64 1r56 s ARG 7 N 0.16 1.01 0.06 0.00 3.52 -1.26 -4.67 118.95 117.76 1r56 s ARG 7 Ca -0.02 0.26 -0.27 0.00 -0.13 0.00 0.00 55.73 55.58 1r56 s ARG 7 Cb -0.04 0.47 0.09 0.00 -1.56 0.00 0.00 34.95 33.91 1r56 s ARG 7 CO 0.02 -0.30 0.85 1.52 -0.81 0.00 0.00 175.30 176.58 1r56 s TYR 8 N -1.10 -0.33 -1.74 5.12 1.13 -1.06 -4.91 117.35 114.45 1r56 s TYR 8 Ca -0.11 0.14 0.00 0.00 -1.41 0.00 0.00 57.07 55.70 1r56 s TYR 8 Cb -0.01 0.57 0.00 0.00 -1.10 0.00 0.00 41.96 41.42 1r56 s TYR 8 CO 0.09 -0.67 0.00 0.41 -2.51 0.00 0.00 175.55 172.87 1r56 n GLY 9 N -0.32 -0.69 3.11 5.49 0.00 -1.26 -0.13 105.19 111.40 1r56 n GLY 9 Ca -0.09 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 1r56 n GLY 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r56 s LYS 10 N -1.04 2.72 0.30 1.61 2.47 -0.38 -4.85 119.74 120.58 1r56 s LYS 10 Ca 0.00 -0.74 0.08 0.00 -1.56 0.00 0.00 55.97 53.76 1r56 s LYS 10 Cb 0.00 -2.28 -0.04 0.00 -1.46 0.00 0.00 37.83 34.05 1r56 s LYS 10 CO 0.00 -0.09 0.11 0.34 0.16 0.00 0.00 175.35 175.86 1r56 s ASP 11 N 1.04 4.82 -1.40 1.43 2.15 -1.26 -1.29 116.67 122.16 1r56 s ASP 11 Ca -0.03 -0.61 -0.09 0.00 0.43 0.00 0.00 52.55 52.25 1r56 s ASP 11 Cb -0.15 -0.91 0.04 0.00 -0.30 0.00 0.00 42.92 41.60 1r56 s ASP 11 CO -0.05 -0.14 1.03 0.59 -0.17 0.00 0.00 175.17 176.42 1r56 n ASN 12 N -1.08 -4.62 -4.53 -0.34 3.02 -1.16 -4.95 115.26 101.60 1r56 n ASN 12 Ca -0.05 -0.67 -0.43 0.00 -0.03 0.00 0.00 54.58 53.40 1r56 n ASN 12 Cb 0.60 -4.49 -0.07 0.00 -0.61 0.00 0.00 39.78 35.21 1r56 n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1r56 s VAL 13 N -3.36 4.84 -0.02 2.41 1.01 -0.64 -4.88 120.40 119.75 1r56 s VAL 13 Ca 0.47 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 62.40 1r56 s VAL 13 Cb -0.22 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 1r56 s VAL 13 CO 0.78 -0.53 0.94 -0.13 0.00 0.00 0.00 175.10 176.15 1r56 s ARG 14 N 2.81 4.53 -0.05 2.72 0.52 -1.26 -0.24 118.95 127.98 1r56 s ARG 14 Ca 0.23 1.33 0.02 0.00 -0.52 0.00 0.00 55.73 56.79 1r56 s ARG 14 Cb -0.14 -3.47 0.02 0.00 0.52 0.00 0.00 34.95 31.88 1r56 s ARG 14 CO 0.18 -0.06 -0.08 0.08 0.02 0.00 0.00 175.30 175.45 1r56 s VAL 15 N 1.07 0.77 -0.05 3.52 1.01 0.50 -4.99 120.40 122.23 1r56 s VAL 15 Ca 0.49 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.25 1r56 s VAL 15 Cb -0.20 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.43 1r56 s VAL 15 CO 0.26 0.27 -0.25 -0.47 0.00 0.00 0.00 175.10 174.91 1r56 s TYR 16 N 0.67 2.38 -0.04 5.22 6.14 -1.26 -0.82 117.35 129.65 1r56 s TYR 16 Ca -0.11 -0.66 0.02 0.00 0.64 0.00 0.00 57.07 56.96 1r56 s TYR 16 Cb -0.14 -1.56 0.01 0.00 0.42 0.00 0.00 41.96 40.70 1r56 s TYR 16 CO 0.01 -0.18 -0.07 0.21 0.64 0.00 0.00 175.55 176.16 1r56 s LYS 17 N -0.25 0.95 -0.07 4.97 2.20 0.63 -4.97 119.74 123.20 1r56 s LYS 17 Ca -0.01 -0.22 -0.01 0.00 -0.36 0.00 0.00 55.97 55.37 1r56 s LYS 17 Cb -0.13 -0.89 -0.03 0.00 -1.51 0.00 0.00 37.83 35.27 1r56 s LYS 17 CO 0.03 0.02 -0.01 0.54 -0.36 0.00 0.00 175.35 175.57 1r56 s VAL 18 N 0.51 4.21 -0.21 4.02 0.11 -1.26 -0.39 120.40 127.39 1r56 s VAL 18 Ca -0.08 -0.33 -0.02 0.00 -2.93 0.00 0.00 61.98 58.62 1r56 s VAL 18 Cb -0.11 -2.78 0.00 0.00 -1.53 0.00 0.00 36.38 31.96 1r56 s VAL 18 CO 0.01 0.57 -0.09 -2.28 -3.33 0.00 0.00 175.10 169.98 1r56 s HIS 19 N -0.90 2.91 -0.23 1.54 2.46 0.16 -4.97 115.29 116.26 1r56 s HIS 19 Ca 0.14 -1.15 -0.06 0.00 0.47 0.00 0.00 55.06 54.46 1r56 s HIS 19 Cb -0.11 -2.05 -0.02 0.00 -0.13 0.00 0.00 32.58 30.26 1r56 s HIS 19 CO 0.03 -0.62 0.03 0.15 -2.47 0.00 0.00 174.74 171.86 1r56 s LYS 20 N 1.42 3.60 -0.32 2.88 1.02 -1.26 -0.50 119.74 126.58 1r56 s LYS 20 Ca 0.05 -0.51 -0.22 0.00 0.02 0.00 0.00 55.97 55.31 1r56 s LYS 20 Cb -0.14 -3.21 -0.00 0.00 -0.52 0.00 0.00 37.83 33.96 1r56 s LYS 20 CO -0.06 -0.14 0.73 0.34 -0.92 0.00 0.00 175.35 175.30 1r56 s ASP 21 N 1.43 6.57 0.34 2.83 2.15 -0.04 -4.95 116.67 125.00 1r56 s ASP 21 Ca 0.05 0.49 0.14 0.00 0.43 0.00 0.00 52.55 53.66 1r56 s ASP 21 Cb -0.15 -2.38 0.60 0.00 -0.30 0.00 0.00 42.92 40.69 1r56 s ASP 21 CO 0.02 -0.60 1.73 -0.33 -0.17 0.00 0.00 175.17 175.82 1r56 h GLU 22 N 8.24 0.00 0.00 4.34 5.08 -1.95 -0.03 114.58 130.26 1r56 h GLU 22 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1r56 h GLU 22 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1r56 h GLU 22 CO 0.86 0.46 0.00 1.63 -1.00 0.00 0.00 179.01 180.96 1r56 n LYS 23 N -3.84 0.00 0.27 2.33 5.02 -1.26 -4.11 118.16 116.58 1r56 n LYS 23 Ca -0.01 0.09 0.11 0.00 -2.02 0.00 0.00 58.31 56.48 1r56 n LYS 23 Cb 0.51 -0.83 0.76 0.00 -0.02 0.00 0.00 35.03 35.44 1r56 n LYS 23 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1r56 h THR 24 N 0.00 0.80 -0.01 -0.18 1.35 -2.01 -3.45 112.91 109.41 1r56 h THR 24 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1r56 h THR 24 Cb 0.00 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1r56 h THR 24 CO 0.00 0.00 -0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1r56 n GLY 25 N -1.45 0.47 3.76 5.82 0.00 -0.03 -5.02 105.19 108.74 1r56 n GLY 25 Ca -0.03 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1r56 n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r56 s VAL 26 N -1.94 4.23 0.07 1.61 1.01 -1.24 -4.81 120.40 119.32 1r56 s VAL 26 Ca 0.00 1.96 0.07 0.00 0.00 0.00 0.00 61.98 64.01 1r56 s VAL 26 Cb 0.00 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.08 1r56 s VAL 26 CO 0.00 0.48 -0.14 -1.10 0.00 0.00 0.00 175.10 174.34 1r56 s GLN 27 N -1.01 2.09 -0.05 2.72 -0.21 0.84 -0.86 119.66 123.19 1r56 s GLN 27 Ca 0.40 -1.00 0.02 0.00 0.02 0.00 0.00 55.36 54.80 1r56 s GLN 27 Cb -0.25 -2.25 0.02 0.00 1.00 0.00 0.00 33.01 31.53 1r56 s GLN 27 CO 0.30 0.53 -0.08 0.99 -2.12 0.00 0.00 175.29 174.90 1r56 s THR 28 N -1.06 0.82 0.03 -0.19 2.01 0.35 -4.67 115.64 112.93 1r56 s THR 28 Ca 0.17 -0.30 0.08 0.00 0.31 0.00 0.00 61.69 61.95 1r56 s THR 28 Cb -0.11 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.59 1r56 s THR 28 CO 0.09 0.28 -0.22 0.68 -0.69 0.00 0.00 174.62 174.76 1r56 s VAL 29 N 0.72 2.44 -0.08 3.82 -7.23 -1.26 0.40 120.40 119.20 1r56 s VAL 29 Ca -0.12 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.84 1r56 s VAL 29 Cb -0.15 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.84 1r56 s VAL 29 CO 0.02 0.40 -0.14 -0.31 -0.31 0.00 0.00 175.10 174.76 1r56 s TYR 30 N -0.82 1.68 -0.05 2.82 2.02 0.47 -4.87 117.35 118.61 1r56 s TYR 30 Ca 0.13 -0.68 0.03 0.00 -0.37 0.00 0.00 57.07 56.17 1r56 s TYR 30 Cb -0.10 -1.22 0.01 0.00 -0.40 0.00 0.00 41.96 40.25 1r56 s TYR 30 CO 0.03 -0.35 -0.13 -2.00 -1.57 0.00 0.00 175.55 171.54 1r56 s GLU 31 N 0.76 1.47 0.27 -0.62 2.12 -1.26 -0.27 118.70 121.17 1r56 s GLU 31 Ca -0.12 -0.43 -0.10 0.00 0.36 0.00 0.00 54.97 54.68 1r56 s GLU 31 Cb -0.16 -1.27 -0.00 0.00 0.26 0.00 0.00 34.13 32.96 1r56 s GLU 31 CO 0.03 0.12 0.46 0.00 -0.54 0.00 0.00 175.26 175.32 1r56 s MET 32 N 0.33 1.62 -0.10 4.30 0.23 0.00 -0.85 119.30 124.84 1r56 s MET 32 Ca -0.08 -1.40 0.02 0.00 -1.03 0.00 0.00 55.69 53.20 1r56 s MET 32 Cb -0.12 0.45 0.02 0.00 -1.53 0.00 0.00 34.83 33.65 1r56 s MET 32 CO 0.02 -0.67 -0.13 0.99 -2.03 0.00 0.00 175.02 173.20 1r56 s THR 33 N -3.75 1.34 0.04 3.16 2.01 -0.05 -0.37 115.64 118.02 1r56 s THR 33 Ca 0.25 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.77 1r56 s THR 33 Cb -0.00 -1.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 1r56 s THR 33 CO 0.12 0.41 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.60 1r56 s VAL 34 N 1.01 2.88 -0.05 3.82 1.01 0.66 -1.41 120.40 128.32 1r56 s VAL 34 Ca -0.07 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.77 1r56 s VAL 34 Cb -0.15 -2.22 0.02 0.00 0.00 0.00 0.00 36.38 34.03 1r56 s VAL 34 CO -0.01 0.34 -0.08 0.00 0.00 0.00 0.00 175.10 175.34 1r56 s VAL 36 N 0.76 1.58 -0.06 0.00 1.01 -0.41 -0.44 120.40 122.83 1r56 s VAL 36 Ca -0.13 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1r56 s VAL 36 Cb -0.15 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 1r56 s VAL 36 CO 0.02 0.42 -0.15 -0.76 0.00 0.00 0.00 175.10 174.63 1r56 s LEU 37 N 1.48 2.70 0.13 3.92 1.43 -0.49 -1.25 118.68 126.59 1r56 s LEU 37 Ca 0.04 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 1r56 s LEU 37 Cb -0.13 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 1r56 s LEU 37 CO -0.10 0.31 -0.08 -0.76 0.23 0.00 0.00 176.35 175.94 1r56 s LEU 38 N -0.51 3.08 0.16 1.79 1.43 0.81 -0.86 118.68 124.59 1r56 s LEU 38 Ca 0.07 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.81 1r56 s LEU 38 Cb -0.12 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1r56 s LEU 38 CO 0.01 0.15 -0.12 -1.61 0.23 0.00 0.00 176.35 175.02 1r56 s GLU 39 N -2.42 1.15 0.00 1.70 2.02 -0.50 -2.58 118.70 118.07 1r56 s GLU 39 Ca 0.23 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.74 1r56 s GLU 39 Cb -0.10 -0.83 0.00 0.00 0.10 0.00 0.00 34.13 33.30 1r56 s GLU 39 CO 0.15 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.96 1r56 n GLY 40 N -0.19 -0.55 3.46 -1.39 0.00 -1.26 -1.69 105.19 103.57 1r56 n GLY 40 Ca -0.10 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 1r56 n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r56 n GLU 41 N 0.00 3.20 0.00 1.61 1.02 0.10 -4.49 120.64 122.08 1r56 n GLU 41 Ca 0.00 -3.31 0.00 0.00 -0.02 0.00 0.00 57.16 53.83 1r56 n GLU 41 Cb 0.00 -3.40 0.00 0.00 -0.02 0.00 0.00 31.44 28.02 1r56 n GLU 41 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1r56 n ILE 42 N 5.92 0.59 -0.26 -3.67 -5.35 -1.26 -4.82 119.36 110.51 1r56 n ILE 42 Ca 0.47 -0.64 0.07 0.00 -0.27 0.00 0.00 62.75 62.38 1r56 n ILE 42 Cb 0.45 0.75 0.21 0.00 -1.74 0.00 0.00 39.64 39.30 1r56 n ILE 42 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1r56 h GLU 43 N 0.00 0.38 0.00 6.28 4.81 -1.98 -1.42 114.58 122.65 1r56 h GLU 43 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1r56 h GLU 43 Cb 0.59 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1r56 h GLU 43 CO 0.00 0.25 0.00 1.79 -0.73 0.00 0.00 179.01 180.32 1r56 h THR 44 N 0.39 0.00 0.00 0.32 1.35 -1.89 0.87 112.91 113.95 1r56 h THR 44 Ca 0.44 -0.14 -0.09 0.00 -0.55 0.00 0.00 66.41 66.07 1r56 h THR 44 Cb 0.73 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1r56 h THR 44 CO -0.46 0.00 -0.42 0.77 -0.25 0.00 0.00 175.52 175.16 1r56 h SER 45 N 0.00 0.00 0.04 5.36 4.64 -1.26 0.47 113.55 122.79 1r56 h SER 45 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1r56 h SER 45 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1r56 h SER 45 CO 0.00 0.42 -1.06 1.88 -0.87 0.00 0.00 176.83 177.20 1r56 h TYR 46 N 0.00 0.14 0.02 4.77 -1.99 -1.01 -3.17 116.97 115.72 1r56 h TYR 46 Ca -0.00 -0.10 -0.25 0.00 2.00 0.00 0.00 58.73 60.38 1r56 h TYR 46 Cb 0.95 -0.01 -0.03 0.00 2.00 0.00 0.00 36.73 39.64 1r56 h TYR 46 CO 0.00 1.41 -1.29 1.79 -0.00 0.00 0.00 178.16 180.07 1r56 h THR 47 N -0.77 1.37 0.00 -2.88 1.35 -1.19 -3.39 112.91 107.40 1r56 h THR 47 Ca -0.26 -3.11 0.00 0.00 -0.55 0.00 0.00 66.41 62.48 1r56 h THR 47 Cb 1.39 2.71 0.00 0.00 -1.73 0.00 0.00 68.15 70.52 1r56 h THR 47 CO -0.08 0.80 0.00 0.29 -0.25 0.00 0.00 175.52 176.28 1r56 n LYS 48 N -3.28 1.58 -3.10 4.72 4.76 0.02 -4.99 118.16 117.87 1r56 n LYS 48 Ca -0.08 -1.11 -0.23 0.00 -2.87 0.00 0.00 58.31 54.03 1r56 n LYS 48 Cb 0.99 -0.96 0.04 0.00 -1.84 0.00 0.00 35.03 33.26 1r56 n LYS 48 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r56 n ALA 49 N -0.31 -1.02 -2.74 7.82 0.00 -0.78 -4.92 120.51 118.56 1r56 n ALA 49 Ca 0.00 0.30 -0.44 0.00 0.00 0.00 0.00 53.44 53.30 1r56 n ALA 49 Cb 0.19 -4.05 -0.07 0.00 0.00 0.00 0.00 19.45 15.53 1r56 n ALA 49 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1r56 s ASP 50 N -2.77 6.21 0.00 0.00 2.15 -0.40 -4.91 116.67 116.95 1r56 s ASP 50 Ca 0.34 -0.93 0.29 0.00 0.43 0.00 0.00 52.55 52.68 1r56 s ASP 50 Cb -0.15 -2.27 1.26 0.00 -0.30 0.00 0.00 42.92 41.46 1r56 s ASP 50 CO 0.42 -0.82 1.90 0.59 -0.17 0.00 0.00 175.17 177.09 1r56 n ASN 51 N 5.97 0.24 0.16 -0.34 3.02 -1.26 -3.37 115.26 119.68 1r56 n ASN 51 Ca -0.07 -0.22 0.13 0.00 -0.03 0.00 0.00 54.58 54.39 1r56 n ASN 51 Cb 0.45 -0.19 0.68 0.00 -0.61 0.00 0.00 39.78 40.12 1r56 n ASN 51 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1r56 h SER 52 N 0.24 0.00 0.18 6.41 4.64 -1.98 -0.84 113.55 122.20 1r56 h SER 52 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r56 h SER 52 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1r56 h SER 52 CO 0.00 0.00 -0.08 1.33 -0.87 0.00 0.00 176.83 177.21 1r56 n VAL 53 N -4.40 0.00 -3.08 0.95 0.24 -1.26 -4.83 118.33 105.96 1r56 n VAL 53 Ca 0.02 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.34 61.79 1r56 n VAL 53 Cb 0.29 0.04 -0.06 0.00 -1.47 0.00 0.00 33.84 32.64 1r56 n VAL 53 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1r56 s ILE 54 N -2.27 4.84 -0.28 1.34 -1.09 -0.32 -4.90 121.20 118.51 1r56 s ILE 54 Ca 0.34 0.53 -0.29 0.00 -2.23 0.00 0.00 60.65 59.00 1r56 s ILE 54 Cb 0.21 -4.14 0.01 0.00 -1.58 0.00 0.00 42.46 36.96 1r56 s ILE 54 CO 0.42 -0.41 1.04 -0.69 -1.23 0.00 0.00 174.94 174.07 1r56 s VAL 55 N 2.83 4.60 0.30 2.92 1.01 -1.26 -4.98 120.40 125.82 1r56 s VAL 55 Ca 0.25 1.81 -0.30 0.00 0.00 0.00 0.00 61.98 63.74 1r56 s VAL 55 Cb -0.14 -4.35 -0.11 0.00 0.00 0.00 0.00 36.38 31.77 1r56 s VAL 55 CO 0.16 -0.35 1.60 0.00 0.00 0.00 0.00 175.10 176.52 1r56 n ALA 56 N 6.61 2.63 -0.11 5.51 0.00 -1.26 -4.85 120.51 129.03 1r56 n ALA 56 Ca 0.11 0.37 0.24 0.00 0.00 0.00 0.00 53.44 54.16 1r56 n ALA 56 Cb 0.47 -2.47 0.68 0.00 0.00 0.00 0.00 19.45 18.12 1r56 n ALA 56 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1r56 h THR 57 N 3.34 0.65 -0.42 0.00 1.35 -1.93 0.35 112.91 116.25 1r56 h THR 57 Ca -0.47 -0.02 -0.07 0.00 -0.55 0.00 0.00 66.41 65.29 1r56 h THR 57 Cb 1.22 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 68.20 1r56 h THR 57 CO 0.79 0.01 -0.03 -0.78 -0.25 0.00 0.00 175.52 175.26 1r56 h ASP 58 N 0.07 0.67 1.19 5.36 3.58 -1.94 -1.99 116.42 123.35 1r56 h ASP 58 Ca 0.36 -0.16 -0.07 0.00 0.42 0.00 0.00 57.03 57.58 1r56 h ASP 58 Cb 1.33 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.19 1r56 h ASP 58 CO -0.03 0.76 -0.34 0.28 -2.88 0.00 0.00 179.24 177.03 1r56 h SER 59 N 0.65 0.00 -0.39 2.28 0.02 -0.67 -1.87 113.55 113.57 1r56 h SER 59 Ca 0.13 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 1r56 h SER 59 Cb 0.45 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1r56 h SER 59 CO 0.02 0.34 -0.05 0.40 -1.14 0.00 0.00 176.83 176.40 1r56 h ILE 60 N 0.00 1.27 -0.06 3.27 2.04 -0.67 -0.92 117.51 122.43 1r56 h ILE 60 Ca -0.00 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.77 1r56 h ILE 60 Cb 1.02 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 1r56 h ILE 60 CO 0.04 0.37 0.00 0.50 0.00 0.00 0.00 178.15 179.06 1r56 h LYS 61 N 0.54 0.02 -0.53 2.37 3.64 -1.18 -1.32 116.57 120.12 1r56 h LYS 61 Ca 0.10 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.55 1r56 h LYS 61 Cb 0.54 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 1r56 h LYS 61 CO 0.03 0.02 0.22 -0.91 -2.27 0.00 0.00 179.45 176.54 1r56 h ASN 62 N 0.02 0.27 -0.47 4.20 2.35 -1.16 -2.44 115.58 118.36 1r56 h ASN 62 Ca 0.03 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1r56 h ASN 62 Cb 0.03 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1r56 h ASN 62 CO -0.05 0.18 0.30 0.74 -1.65 0.00 0.00 177.43 176.95 1r56 h THR 63 N 0.43 1.13 -0.41 2.81 2.02 -0.87 -0.53 112.91 117.48 1r56 h THR 63 Ca 0.25 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 1r56 h THR 63 Cb 0.23 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1r56 h THR 63 CO -0.22 0.13 0.06 0.40 0.37 0.00 0.00 175.52 176.26 1r56 h ILE 64 N 0.65 1.24 -0.37 3.11 2.04 -0.76 -0.51 117.51 122.91 1r56 h ILE 64 Ca 0.17 -0.89 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 1r56 h ILE 64 Cb -0.05 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1r56 h ILE 64 CO -0.03 0.31 -0.12 1.88 0.00 0.00 0.00 178.15 180.18 1r56 h TYR 65 N 0.54 0.83 -0.49 1.37 0.05 -1.14 -2.14 116.97 115.99 1r56 h TYR 65 Ca 0.12 -0.19 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1r56 h TYR 65 Cb 0.38 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.90 1r56 h TYR 65 CO 0.03 0.90 0.31 0.82 -1.05 0.00 0.00 178.16 179.17 1r56 h ILE 66 N 0.53 1.14 -0.58 -2.88 2.04 -1.10 -1.46 117.51 115.20 1r56 h ILE 66 Ca 0.09 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1r56 h ILE 66 Cb 0.65 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1r56 h ILE 66 CO 0.04 0.14 0.28 0.74 0.00 0.00 0.00 178.15 179.36 1r56 h THR 67 N 0.66 1.21 -0.11 -0.27 2.02 -1.01 -2.05 112.91 113.36 1r56 h THR 67 Ca 0.18 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.72 1r56 h THR 67 Cb -0.03 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1r56 h THR 67 CO -0.04 0.24 -0.17 0.00 0.37 0.00 0.00 175.52 175.92 1r56 h ALA 68 N 1.11 1.52 -0.65 6.16 0.00 -1.21 -2.02 119.26 124.17 1r56 h ALA 68 Ca 0.20 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1r56 h ALA 68 Cb 0.12 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1r56 h ALA 68 CO -0.03 0.35 0.12 -0.22 0.00 0.00 0.00 179.25 179.47 1r56 h LYS 69 N 0.16 1.06 -0.02 0.00 1.63 -0.56 -3.31 116.57 115.54 1r56 h LYS 69 Ca 0.03 -0.27 0.00 0.00 -0.85 0.00 0.00 60.65 59.56 1r56 h LYS 69 Cb 0.41 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1r56 h LYS 69 CO 0.03 0.96 -0.16 1.04 -3.45 0.00 0.00 179.45 177.87 1r56 n GLN 70 N -4.22 1.74 -4.15 1.90 6.02 -1.01 -4.98 117.38 112.67 1r56 n GLN 70 Ca 0.04 -1.44 -0.10 0.00 -0.01 0.00 0.00 57.00 55.49 1r56 n GLN 70 Cb 0.28 -1.40 -0.10 0.00 1.02 0.00 0.00 30.24 30.03 1r56 n GLN 70 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1r56 s ASN 71 N -1.96 0.39 0.29 1.08 0.01 -0.79 -5.09 114.94 108.88 1r56 s ASN 71 Ca 0.22 -1.19 -0.29 0.00 -0.71 0.00 0.00 52.86 50.88 1r56 s ASN 71 Cb 0.17 0.28 -0.10 0.00 0.41 0.00 0.00 41.25 42.01 1r56 s ASN 71 CO 0.36 -0.71 1.26 -2.16 -1.51 0.00 0.00 177.10 174.34 1r56 s PRO 72 N -4.03 4.43 0.00 -0.60 0.04 -1.26 -4.70 135.00 128.88 1r56 s PRO 72 Ca 0.23 2.09 0.24 0.00 0.04 0.00 0.00 61.00 63.60 1r56 s PRO 72 Cb 0.07 -3.13 0.29 0.00 0.04 0.00 0.00 34.50 31.78 1r56 s PRO 72 CO 0.01 -0.12 1.27 1.33 0.04 0.00 0.00 177.00 179.54 1r56 n VAL 73 N 1.34 0.00 -4.53 -0.36 0.24 -1.26 -4.41 118.33 109.35 1r56 n VAL 73 Ca 0.01 -0.18 -0.21 0.00 -2.04 0.00 0.00 64.34 61.92 1r56 n VAL 73 Cb 0.43 0.87 -0.14 0.00 -1.47 0.00 0.00 33.84 33.53 1r56 n VAL 73 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1r56 s THR 74 N -2.54 1.12 0.57 3.34 -1.32 -1.26 -3.60 115.64 111.94 1r56 s THR 74 Ca 0.20 -0.77 -0.17 0.00 -1.21 0.00 0.00 61.69 59.74 1r56 s THR 74 Cb 0.18 -0.97 -0.05 0.00 -1.51 0.00 0.00 72.50 70.16 1r56 s THR 74 CO 0.58 0.19 1.06 -2.16 -2.21 0.00 0.00 174.62 172.08 1r56 s PRO 75 N -0.66 3.43 0.52 7.08 0.04 -1.26 -4.85 135.00 139.29 1r56 s PRO 75 Ca 0.04 1.28 0.21 0.00 0.04 0.00 0.00 61.00 62.57 1r56 s PRO 75 Cb -0.06 -2.04 1.33 0.00 0.04 0.00 0.00 34.50 33.77 1r56 s PRO 75 CO 0.00 -0.73 2.05 -1.00 0.04 0.00 0.00 177.00 177.36 1r56 h PRO 76 N 0.76 0.02 -0.76 0.56 0.13 -1.97 -0.00 132.00 130.74 1r56 h PRO 76 Ca -0.48 -0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.73 1r56 h PRO 76 Cb 1.22 -0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.28 1r56 h PRO 76 CO 0.58 0.01 0.43 0.93 -0.23 0.00 0.00 178.00 179.72 1r56 h GLU 77 N 0.02 0.73 0.18 0.86 3.07 -1.95 -0.01 114.58 117.48 1r56 h GLU 77 Ca 0.17 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1r56 h GLU 77 Cb 0.64 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1r56 h GLU 77 CO -0.01 0.48 -0.09 1.25 -1.40 0.00 0.00 179.01 179.25 1r56 h LEU 78 N 0.75 -0.20 -0.73 1.33 5.85 -1.37 -2.89 115.31 118.05 1r56 h LEU 78 Ca 0.35 -0.32 0.15 0.00 0.84 0.00 0.00 57.88 58.90 1r56 h LEU 78 Cb 0.27 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.25 1r56 h LEU 78 CO -0.22 0.28 0.23 0.15 -0.34 0.00 0.00 178.44 178.54 1r56 h PHE 79 N -0.76 0.38 -0.17 1.25 3.57 -1.33 0.56 116.94 120.44 1r56 h PHE 79 Ca -0.02 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1r56 h PHE 79 Cb 0.51 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1r56 h PHE 79 CO 0.07 -0.02 -0.20 0.78 -2.23 0.00 0.00 178.31 176.71 1r56 h GLY 80 N 0.34 0.32 1.23 2.40 0.00 -1.06 -1.31 103.07 105.00 1r56 h GLY 80 Ca 0.41 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 47.35 1r56 h GLY 80 CO -0.46 0.21 -0.46 1.76 0.00 0.00 0.00 176.54 177.59 1r56 h SER 81 N 0.27 0.90 0.26 0.19 0.02 -0.73 -0.93 113.55 113.53 1r56 h SER 81 Ca 0.05 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 1r56 h SER 81 Cb 0.51 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1r56 h SER 81 CO 0.03 1.21 -0.12 0.40 -1.14 0.00 0.00 176.83 177.21 1r56 h ILE 82 N 0.66 0.79 -0.54 3.27 2.04 -0.90 -1.73 117.51 121.10 1r56 h ILE 82 Ca 0.04 -0.39 0.05 0.00 1.00 0.00 0.00 64.86 65.56 1r56 h ILE 82 Cb 1.04 1.01 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1r56 h ILE 82 CO 0.10 0.08 0.27 0.25 0.00 0.00 0.00 178.15 178.85 1r56 h LEU 83 N -0.55 0.37 -0.41 1.44 5.85 -1.28 -1.18 115.31 119.55 1r56 h LEU 83 Ca -0.04 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1r56 h LEU 83 Cb 0.41 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1r56 h LEU 83 CO 0.06 0.25 0.06 1.23 -0.34 0.00 0.00 178.44 179.70 1r56 h GLY 84 N 0.51 0.73 1.02 3.75 0.00 -1.13 -3.05 103.07 104.90 1r56 h GLY 84 Ca 0.24 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1r56 h GLY 84 CO -0.18 0.46 0.62 -0.84 0.00 0.00 0.00 176.54 176.59 1r56 h THR 85 N 0.53 1.26 -0.82 4.70 2.02 -1.13 -3.00 112.91 116.46 1r56 h THR 85 Ca 0.12 -0.52 0.10 0.00 0.77 0.00 0.00 66.41 66.89 1r56 h THR 85 Cb 0.38 -0.15 -0.08 0.00 -1.74 0.00 0.00 68.15 66.57 1r56 h THR 85 CO 0.01 0.26 0.46 -0.74 0.37 0.00 0.00 175.52 175.88 1r56 h HIS 86 N 1.33 0.83 -0.42 3.16 6.17 -1.10 -1.83 115.15 123.30 1r56 h HIS 86 Ca 0.35 0.03 -0.15 0.00 0.71 0.00 0.00 60.37 61.31 1r56 h HIS 86 Cb -0.11 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 29.56 1r56 h HIS 86 CO 0.00 0.32 -0.33 0.74 0.71 0.00 0.00 177.93 179.37 1r56 h PHE 87 N 0.76 1.13 0.00 5.26 0.04 -1.57 0.21 116.94 122.77 1r56 h PHE 87 Ca 0.41 -0.32 -0.00 0.00 2.80 0.00 0.00 57.97 60.86 1r56 h PHE 87 Cb 0.41 -0.25 -0.00 0.00 2.20 0.00 0.00 35.95 38.32 1r56 h PHE 87 CO -0.07 1.15 -0.01 -0.84 -0.60 0.00 0.00 178.31 177.94 1r56 h ILE 88 N 0.80 0.02 0.05 -0.55 3.07 -1.41 -2.34 117.51 117.14 1r56 h ILE 88 Ca 0.08 -0.72 -0.34 0.00 1.55 0.00 0.00 64.86 65.43 1r56 h ILE 88 Cb 0.92 1.71 -0.04 0.00 -0.27 0.00 0.00 36.82 39.14 1r56 h ILE 88 CO 0.09 0.01 -1.98 -0.62 -1.05 0.00 0.00 178.15 174.60 1r56 n GLU 89 N -3.10 0.69 0.07 0.16 1.02 -0.73 -4.18 120.64 114.56 1r56 n GLU 89 Ca 0.02 0.23 -0.14 0.00 -0.02 0.00 0.00 57.16 57.25 1r56 n GLU 89 Cb 0.40 -1.70 -0.05 0.00 -0.02 0.00 0.00 31.44 30.06 1r56 n GLU 89 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1r56 h LYS 90 N 0.03 0.41 -5.25 3.49 1.63 -0.60 -3.44 116.57 112.84 1r56 h LYS 90 Ca -0.40 -0.45 -0.66 0.00 -0.85 0.00 0.00 60.65 58.29 1r56 h LYS 90 Cb 2.04 0.13 -0.30 0.00 -0.60 0.00 0.00 32.23 33.50 1r56 h LYS 90 CO 0.06 1.12 -0.80 0.71 -3.45 0.00 0.00 179.45 177.08 1r56 s TYR 91 N -3.24 2.76 0.40 1.91 2.02 -0.88 -4.99 117.35 115.32 1r56 s TYR 91 Ca -0.06 -0.91 0.10 0.00 -0.37 0.00 0.00 57.07 55.83 1r56 s TYR 91 Cb 0.09 -1.85 0.83 0.00 -0.40 0.00 0.00 41.96 40.63 1r56 s TYR 91 CO 0.87 -0.38 1.94 -0.91 -1.57 0.00 0.00 175.55 175.50 1r56 h ASN 92 N 7.03 0.20 -0.31 2.29 2.35 -1.85 -2.52 115.58 122.75 1r56 h ASN 92 Ca -0.28 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.43 1r56 h ASN 92 Cb 1.20 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1r56 h ASN 92 CO 0.55 0.34 0.00 0.00 -1.65 0.00 0.00 177.43 176.67 1r56 n HIS 93 N -4.30 0.40 -3.83 1.19 1.44 -1.26 -4.85 115.22 104.01 1r56 n HIS 93 Ca -0.01 -0.20 -0.35 0.00 -2.01 0.00 0.00 57.72 55.15 1r56 n HIS 93 Cb 0.25 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.26 1r56 n HIS 93 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1r56 s ILE 94 N -1.60 4.99 0.00 0.61 -1.09 -0.95 0.01 121.20 123.18 1r56 s ILE 94 Ca 0.37 0.05 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 1r56 s ILE 94 Cb 0.21 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 1r56 s ILE 94 CO 0.30 0.40 0.26 1.41 -1.23 0.00 0.00 174.94 176.09 1r56 n HIS 95 N 3.96 0.00 -3.74 3.97 8.25 -0.68 -4.57 115.22 122.41 1r56 n HIS 95 Ca -0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.17 1r56 n HIS 95 Cb 0.52 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 1r56 n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r56 s ALA 96 N -0.22 -0.97 -0.07 -1.41 0.00 -1.04 -1.22 121.76 116.84 1r56 s ALA 96 Ca 0.00 1.01 0.02 0.00 0.00 0.00 0.00 51.96 52.98 1r56 s ALA 96 Cb 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 23.12 22.61 1r56 s ALA 96 CO 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 175.76 175.46 1r56 s ALA 97 N -0.04 1.14 -0.29 0.00 0.00 0.01 -1.42 121.76 121.17 1r56 s ALA 97 Ca -0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 51.96 51.56 1r56 s ALA 97 Cb -0.03 -0.58 0.03 0.00 0.00 0.00 0.00 23.12 22.55 1r56 s ALA 97 CO 0.01 0.03 -0.00 -1.01 0.00 0.00 0.00 175.76 174.79 1r56 s HIS 98 N 0.84 3.18 -0.17 0.00 3.76 -0.04 -1.31 115.29 121.54 1r56 s HIS 98 Ca -0.12 -1.60 -0.03 0.00 -0.15 0.00 0.00 55.06 53.17 1r56 s HIS 98 Cb -0.15 -2.13 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 1r56 s HIS 98 CO 0.02 -0.74 -0.06 0.08 -0.85 0.00 0.00 174.74 173.19 1r56 s VAL 99 N 1.33 3.56 -0.13 -0.90 1.01 0.24 -1.40 120.40 124.10 1r56 s VAL 99 Ca -0.02 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1r56 s VAL 99 Cb -0.18 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.63 1r56 s VAL 99 CO -0.01 0.47 -0.17 0.21 0.00 0.00 0.00 175.10 175.60 1r56 s ASN 100 N 0.73 3.61 -0.08 3.32 2.47 0.41 -0.37 114.94 125.04 1r56 s ASN 100 Ca -0.03 -0.45 0.02 0.00 0.42 0.00 0.00 52.86 52.83 1r56 s ASN 100 Cb -0.15 -1.54 0.01 0.00 -1.45 0.00 0.00 41.25 38.13 1r56 s ASN 100 CO 0.02 0.13 -0.14 -0.63 -3.72 0.00 0.00 177.10 172.77 1r56 s ILE 101 N 0.54 1.28 -0.22 -5.21 1.01 0.52 -1.59 121.20 117.52 1r56 s ILE 101 Ca -0.11 -0.54 -0.04 0.00 0.00 0.00 0.00 60.65 59.95 1r56 s ILE 101 Cb -0.16 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 1r56 s ILE 101 CO 0.04 0.39 -0.02 -0.69 0.00 0.00 0.00 174.94 174.66 1r56 s VAL 102 N 0.76 3.63 -0.18 2.92 1.01 -0.50 -0.97 120.40 127.06 1r56 s VAL 102 Ca -0.12 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 1r56 s VAL 102 Cb -0.16 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1r56 s VAL 102 CO 0.03 0.41 0.10 0.00 0.00 0.00 0.00 175.10 175.64 1r56 s HIS 104 N 0.19 3.49 -0.14 0.00 3.76 -0.03 -3.01 115.29 119.55 1r56 s HIS 104 Ca 0.07 0.42 -0.25 0.00 -0.15 0.00 0.00 55.06 55.14 1r56 s HIS 104 Cb -0.12 -1.90 -0.02 0.00 1.11 0.00 0.00 32.58 31.66 1r56 s HIS 104 CO -0.00 0.49 0.83 1.03 -0.85 0.00 0.00 174.74 176.23 1r56 s ARG 105 N -2.65 4.34 -0.43 1.40 0.52 -1.26 -4.45 118.95 116.42 1r56 s ARG 105 Ca 0.39 1.03 0.02 0.00 -0.52 0.00 0.00 55.73 56.65 1r56 s ARG 105 Cb -0.12 -3.55 0.13 0.00 0.52 0.00 0.00 34.95 31.93 1r56 s ARG 105 CO 0.26 -0.25 0.23 -1.58 0.02 0.00 0.00 175.30 173.98 1r56 s TRP 106 N 1.86 1.86 -0.17 -0.53 0.23 -1.26 -4.25 118.94 116.69 1r56 s TRP 106 Ca 0.39 -2.33 -0.17 0.00 -2.03 0.00 0.00 56.10 51.96 1r56 s TRP 106 Cb -0.17 -1.80 -0.04 0.00 0.03 0.00 0.00 33.47 31.49 1r56 s TRP 106 CO 0.14 -0.79 0.45 0.99 0.96 0.00 0.00 176.95 178.70 1r56 s THR 107 N 0.47 5.18 0.16 2.01 2.01 -0.39 -4.83 115.64 120.26 1r56 s THR 107 Ca 0.17 0.85 -0.34 0.00 0.31 0.00 0.00 61.69 62.68 1r56 s THR 107 Cb -0.24 -3.78 -0.14 0.00 0.01 0.00 0.00 72.50 68.35 1r56 s THR 107 CO -0.00 0.27 1.59 -1.14 -0.69 0.00 0.00 174.62 174.65 1r56 n ARG 108 N 4.19 2.19 -2.20 4.92 0.63 -1.26 -1.02 116.66 124.10 1r56 n ARG 108 Ca -0.07 0.79 -0.34 0.00 -0.92 0.00 0.00 57.85 57.31 1r56 n ARG 108 Cb 0.51 -2.57 -0.00 0.00 0.45 0.00 0.00 32.46 30.86 1r56 n ARG 108 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1r56 s MET 109 N 0.97 3.41 -0.29 -0.14 -1.94 -0.20 -4.85 119.30 116.26 1r56 s MET 109 Ca 0.79 1.35 -0.03 0.00 -1.71 0.00 0.00 55.69 56.08 1r56 s MET 109 Cb -0.67 -2.04 0.03 0.00 2.01 0.00 0.00 34.83 34.17 1r56 s MET 109 CO 0.38 -0.76 0.01 -0.51 -0.01 0.00 0.00 175.02 174.13 1r56 s ASP 110 N -2.33 4.80 -0.28 3.03 1.01 -1.26 -0.52 116.67 121.13 1r56 s ASP 110 Ca 0.67 -1.00 -0.03 0.00 0.71 0.00 0.00 52.55 52.90 1r56 s ASP 110 Cb -0.18 -1.75 0.03 0.00 1.01 0.00 0.00 42.92 42.03 1r56 s ASP 110 CO 0.30 -0.21 -0.01 -0.63 0.21 0.00 0.00 175.17 174.83 1r56 s ILE 111 N 1.35 3.13 -0.81 0.77 -1.09 0.95 -4.63 121.20 120.87 1r56 s ILE 111 Ca -0.01 -1.10 -0.02 0.00 -2.23 0.00 0.00 60.65 57.29 1r56 s ILE 111 Cb -0.18 -2.67 0.00 0.00 -1.58 0.00 0.00 42.46 38.03 1r56 s ILE 111 CO -0.01 0.06 0.68 0.47 -1.23 0.00 0.00 174.94 174.91 1r56 n ASP 112 N 4.69 -2.86 0.00 3.58 8.00 -1.26 -2.68 116.55 126.03 1r56 n ASP 112 Ca -0.15 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1r56 n ASP 112 Cb 0.46 -3.47 0.00 0.00 -0.02 0.00 0.00 41.12 38.08 1r56 n ASP 112 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1r56 n GLY 113 N -1.20 0.41 3.28 0.44 0.00 -1.26 -4.97 105.19 101.89 1r56 n GLY 113 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1r56 n GLY 113 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r56 s LYS 114 N -0.60 2.46 -0.11 1.61 -2.85 -1.09 -5.08 119.74 114.09 1r56 s LYS 114 Ca 0.00 -0.91 -0.29 0.00 -1.00 0.00 0.00 55.97 53.77 1r56 s LYS 114 Cb 0.00 -2.14 -0.05 0.00 -2.06 0.00 0.00 37.83 33.58 1r56 s LYS 114 CO 0.00 0.42 1.74 -2.14 0.10 0.00 0.00 175.35 175.47 1r56 s PRO 115 N -0.26 3.96 0.31 1.78 0.02 -1.26 -0.04 135.00 139.51 1r56 s PRO 115 Ca -0.01 2.08 -0.29 0.00 0.02 0.00 0.00 61.00 62.80 1r56 s PRO 115 Cb -0.13 -4.06 -0.10 0.00 0.02 0.00 0.00 34.50 30.23 1r56 s PRO 115 CO 0.03 -1.12 1.29 -1.58 -0.33 0.00 0.00 177.00 175.29 1r56 s HIS 116 N 4.86 3.12 0.24 6.54 2.46 0.32 -4.91 115.29 127.92 1r56 s HIS 116 Ca 0.78 1.41 0.33 0.00 0.47 0.00 0.00 55.06 58.04 1r56 s HIS 116 Cb -0.32 -3.64 1.48 0.00 -0.13 0.00 0.00 32.58 29.96 1r56 s HIS 116 CO 0.32 -1.77 2.03 -1.00 -2.47 0.00 0.00 174.74 171.85 1r56 h PRO 117 N 3.68 0.00 0.00 2.88 0.13 -1.91 -3.39 132.00 133.39 1r56 h PRO 117 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.51 1r56 h PRO 117 Cb 1.22 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.15 1r56 h PRO 117 CO 0.67 0.06 -0.53 -2.39 -0.23 0.00 0.00 178.00 175.58 1r56 n HIS 118 N -3.22 0.00 -4.69 1.56 1.44 -1.26 -0.11 115.22 108.93 1r56 n HIS 118 Ca -0.00 -0.47 -0.24 0.00 -2.01 0.00 0.00 57.72 54.99 1r56 n HIS 118 Cb 0.28 0.27 -0.16 0.00 0.12 0.00 0.00 29.99 30.50 1r56 n HIS 118 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1r56 s SER 119 N -1.29 1.83 0.07 4.39 0.01 -1.26 -5.05 113.70 112.41 1r56 s SER 119 Ca 0.11 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.09 1r56 s SER 119 Cb 0.13 -0.44 -0.04 0.00 0.21 0.00 0.00 66.02 65.87 1r56 s SER 119 CO -0.05 0.14 -0.06 -0.36 0.41 0.00 0.00 173.24 173.32 1r56 s PHE 120 N 0.00 0.71 0.02 2.43 0.40 -1.26 -1.04 117.98 119.25 1r56 s PHE 120 Ca -0.02 -0.86 0.03 0.00 -0.60 0.00 0.00 56.93 55.48 1r56 s PHE 120 Cb -0.10 -0.44 -0.02 0.00 0.51 0.00 0.00 43.02 42.98 1r56 s PHE 120 CO 0.01 -0.20 -0.09 -1.50 0.70 0.00 0.00 175.22 174.14 1r56 s ILE 121 N -3.19 0.70 -0.87 0.64 2.07 -0.19 -4.86 121.20 115.50 1r56 s ILE 121 Ca 0.05 -0.72 -0.22 0.00 -1.41 0.00 0.00 60.65 58.34 1r56 s ILE 121 Cb 0.02 -0.65 0.07 0.00 0.13 0.00 0.00 42.46 42.03 1r56 s ILE 121 CO -0.05 -0.05 1.23 -0.60 -1.91 0.00 0.00 174.94 173.56 1r56 s ARG 122 N -0.86 3.42 0.00 3.50 6.06 -1.26 -1.26 118.95 128.55 1r56 s ARG 122 Ca -0.01 -1.09 0.21 0.00 -2.50 0.00 0.00 55.73 52.34 1r56 s ARG 122 Cb -0.06 -4.80 1.27 0.00 0.06 0.00 0.00 34.95 31.42 1r56 s ARG 122 CO 0.00 -2.00 1.81 -0.40 -2.50 0.00 0.00 175.30 172.21 1r56 n ASP 123 N 8.07 0.00 0.00 -2.12 5.75 -1.26 -4.89 116.55 122.10 1r56 n ASP 123 Ca 0.18 -1.29 0.00 0.00 -0.01 0.00 0.00 54.79 53.67 1r56 n ASP 123 Cb 0.49 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 1r56 n ASP 123 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1r56 n SER 124 N -0.84 0.00 -0.78 -1.12 2.88 -1.26 -5.00 113.62 107.50 1r56 n SER 124 Ca 0.16 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.80 1r56 n SER 124 Cb 0.07 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 63.83 1r56 n SER 124 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1r56 n GLU 125 N -0.12 2.02 -1.92 -1.46 -0.58 -1.26 -4.65 120.64 112.67 1r56 n GLU 125 Ca 0.00 -1.54 -0.41 0.00 -0.42 0.00 0.00 57.16 54.79 1r56 n GLU 125 Cb 0.00 -1.42 -0.02 0.00 -0.57 0.00 0.00 31.44 29.43 1r56 n GLU 125 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1r56 s GLU 126 N -1.64 4.21 0.22 3.49 2.12 -1.23 -4.78 118.70 121.09 1r56 s GLU 126 Ca 0.34 2.42 0.09 0.00 0.36 0.00 0.00 54.97 58.18 1r56 s GLU 126 Cb 0.19 -3.06 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 1r56 s GLU 126 CO 0.27 -0.48 -0.06 0.15 -0.54 0.00 0.00 175.26 174.60 1r56 s LYS 127 N -0.82 2.15 -0.19 4.30 -0.14 0.38 -4.49 119.74 120.92 1r56 s LYS 127 Ca 0.58 -1.35 -0.01 0.00 -1.36 0.00 0.00 55.97 53.84 1r56 s LYS 127 Cb -0.44 -2.15 0.00 0.00 -1.68 0.00 0.00 37.83 33.56 1r56 s LYS 127 CO 0.49 0.40 -0.13 0.50 -0.76 0.00 0.00 175.35 175.85 1r56 s ARG 128 N -3.20 3.19 0.27 1.68 3.52 -1.16 -1.93 118.95 121.32 1r56 s ARG 128 Ca 0.28 -0.73 0.11 0.00 -0.13 0.00 0.00 55.73 55.26 1r56 s ARG 128 Cb -0.08 -2.77 -0.05 0.00 -1.56 0.00 0.00 34.95 30.50 1r56 s ARG 128 CO 0.17 -0.17 -0.18 -0.80 -0.81 0.00 0.00 175.30 173.51 1r56 s ASN 129 N 1.30 3.41 -0.02 -2.12 -0.87 -0.47 -0.28 114.94 115.89 1r56 s ASN 129 Ca 0.04 -1.04 -0.04 0.00 -1.57 0.00 0.00 52.86 50.25 1r56 s ASN 129 Cb -0.14 -0.27 0.00 0.00 -0.02 0.00 0.00 41.25 40.82 1r56 s ASN 129 CO -0.07 -0.01 0.08 0.68 -2.57 0.00 0.00 177.10 175.21 1r56 s VAL 130 N -2.60 0.04 -0.20 1.60 -7.23 -0.14 -1.52 120.40 110.35 1r56 s VAL 130 Ca 0.29 -0.31 0.01 0.00 -1.81 0.00 0.00 61.98 60.16 1r56 s VAL 130 Cb -0.04 -0.23 0.03 0.00 0.56 0.00 0.00 36.38 36.70 1r56 s VAL 130 CO 0.14 -0.17 -0.17 -1.58 -0.31 0.00 0.00 175.10 173.00 1r56 s GLN 131 N -0.53 2.85 -0.16 4.82 0.74 -0.42 -0.36 119.66 126.60 1r56 s GLN 131 Ca -0.06 -0.93 0.01 0.00 0.05 0.00 0.00 55.36 54.43 1r56 s GLN 131 Cb -0.04 -2.65 0.01 0.00 1.10 0.00 0.00 33.01 31.42 1r56 s GLN 131 CO 0.00 -0.29 -0.18 0.08 -0.55 0.00 0.00 175.29 174.35 1r56 s VAL 132 N 1.26 2.34 -0.29 1.34 1.01 0.51 -1.31 120.40 125.26 1r56 s VAL 132 Ca 0.02 -0.87 -0.05 0.00 0.00 0.00 0.00 61.98 61.09 1r56 s VAL 132 Cb -0.15 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.29 1r56 s VAL 132 CO -0.11 0.53 0.03 -1.81 0.00 0.00 0.00 175.10 173.74 1r56 s ASP 133 N 0.97 4.90 -0.40 3.32 1.01 0.83 -0.59 116.67 126.70 1r56 s ASP 133 Ca -0.03 -0.92 -0.08 0.00 0.71 0.00 0.00 52.55 52.24 1r56 s ASP 133 Cb -0.15 -1.79 0.07 0.00 1.01 0.00 0.00 42.92 42.06 1r56 s ASP 133 CO -0.04 -0.21 0.22 -0.69 0.21 0.00 0.00 175.17 174.66 1r56 s VAL 134 N 1.40 4.05 -0.22 -1.27 1.01 -0.43 -0.65 120.40 124.28 1r56 s VAL 134 Ca -0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 61.98 60.54 1r56 s VAL 134 Cb -0.18 -3.47 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1r56 s VAL 134 CO 0.00 -0.46 -0.06 -0.69 0.00 0.00 0.00 175.10 173.89 1r56 s VAL 135 N 1.39 3.16 -0.11 2.92 1.01 -1.12 -0.81 120.40 126.84 1r56 s VAL 135 Ca 0.03 -0.62 -0.37 0.00 0.00 0.00 0.00 61.98 61.01 1r56 s VAL 135 Cb -0.22 -2.45 -0.15 0.00 0.00 0.00 0.00 36.38 33.56 1r56 s VAL 135 CO 0.02 0.40 1.68 1.21 0.00 0.00 0.00 175.10 178.41 1r56 n GLU 136 N 4.76 1.51 0.00 2.72 2.13 -0.36 -0.68 120.64 130.72 1r56 n GLU 136 Ca -0.18 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1r56 n GLU 136 Cb 0.50 -2.27 0.00 0.00 0.27 0.00 0.00 31.44 29.94 1r56 n GLU 136 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r56 n GLY 137 N 3.84 2.27 0.40 8.31 0.00 -1.26 -4.84 105.19 113.91 1r56 n GLY 137 Ca 0.23 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.32 1r56 n GLY 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1r56 n LYS 138 N -2.00 1.40 0.00 1.61 5.02 0.14 -5.11 118.16 119.23 1r56 n LYS 138 Ca 0.00 -2.94 0.00 0.00 -2.02 0.00 0.00 58.31 53.35 1r56 n LYS 138 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.49 1r56 n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r56 n GLY 139 N -1.20 -0.27 2.85 0.72 0.00 -1.19 -4.79 105.19 101.31 1r56 n GLY 139 Ca 0.17 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.90 1r56 n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r56 s ILE 140 N 0.00 0.74 -0.23 -0.61 1.01 0.41 -2.80 121.20 119.72 1r56 s ILE 140 Ca 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.46 1r56 s ILE 140 Cb 0.00 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 1r56 s ILE 140 CO 0.00 0.32 0.08 -1.81 0.00 0.00 0.00 174.94 173.53 1r56 s ASP 141 N 1.78 5.44 -0.11 3.58 1.01 0.18 -0.99 116.67 127.56 1r56 s ASP 141 Ca 0.04 -0.07 0.02 0.00 0.71 0.00 0.00 52.55 53.26 1r56 s ASP 141 Cb -0.13 -1.96 0.01 0.00 1.01 0.00 0.00 42.92 41.85 1r56 s ASP 141 CO -0.07 0.05 -0.17 -0.63 0.21 0.00 0.00 175.17 174.56 1r56 s ILE 142 N 1.12 1.65 -0.21 0.77 1.01 -1.26 -0.12 121.20 124.15 1r56 s ILE 142 Ca 0.05 -0.74 -0.04 0.00 0.00 0.00 0.00 60.65 59.91 1r56 s ILE 142 Cb -0.14 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 1r56 s ILE 142 CO 0.04 0.47 -0.03 -0.54 0.00 0.00 0.00 174.94 174.88 1r56 s LYS 143 N 0.84 3.45 0.16 2.79 1.02 -0.43 -1.24 119.74 126.33 1r56 s LYS 143 Ca -0.09 -0.59 0.05 0.00 0.02 0.00 0.00 55.97 55.36 1r56 s LYS 143 Cb -0.15 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 1r56 s LYS 143 CO 0.00 -0.13 0.09 -1.12 -0.92 0.00 0.00 175.35 173.27 1r56 s SER 144 N 1.34 5.32 0.15 2.83 0.01 0.32 -1.30 113.70 122.36 1r56 s SER 144 Ca 0.04 -0.18 -0.24 0.00 1.31 0.00 0.00 55.95 56.88 1r56 s SER 144 Cb -0.14 -1.33 0.07 0.00 0.21 0.00 0.00 66.02 64.82 1r56 s SER 144 CO -0.01 0.09 0.73 -0.94 0.41 0.00 0.00 173.24 173.52 1r56 s SER 145 N -2.96 -0.41 0.03 2.44 1.04 -0.57 -0.40 113.70 112.86 1r56 s SER 145 Ca 0.30 -0.17 0.07 0.00 0.48 0.00 0.00 55.95 56.62 1r56 s SER 145 Cb -0.10 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 1r56 s SER 145 CO 0.22 -0.96 -0.21 -1.48 0.98 0.00 0.00 173.24 171.79 1r56 s LEU 146 N -2.75 2.14 0.19 2.42 0.05 -0.22 -1.37 118.68 119.14 1r56 s LEU 146 Ca 0.05 -0.48 -0.07 0.00 0.05 0.00 0.00 54.13 53.68 1r56 s LEU 146 Cb -0.02 -0.99 -0.02 0.00 -2.05 0.00 0.00 46.19 43.11 1r56 s LEU 146 CO -0.06 0.18 0.27 -0.94 -0.55 0.00 0.00 176.35 175.25 1r56 s SER 147 N -1.00 0.07 -0.54 1.48 1.04 -0.81 -1.49 113.70 112.43 1r56 s SER 147 Ca 0.07 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1r56 s SER 147 Cb -0.09 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.48 1r56 s SER 147 CO 0.01 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 173.92 1r56 n GLY 148 N -0.25 0.77 3.58 7.32 0.00 -1.23 -0.47 105.19 114.91 1r56 n GLY 148 Ca -0.04 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 1r56 n GLY 148 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1r56 s LEU 149 N -1.16 4.23 -0.15 0.99 2.96 -1.24 -3.52 118.68 120.79 1r56 s LEU 149 Ca 0.00 0.20 -0.01 0.00 -0.22 0.00 0.00 54.13 54.10 1r56 s LEU 149 Cb 0.00 -2.71 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 1r56 s LEU 149 CO 0.00 -0.50 -0.12 -0.89 -1.32 0.00 0.00 176.35 173.52 1r56 s THR 150 N 2.54 3.06 0.18 3.68 2.01 -1.26 0.99 115.64 126.84 1r56 s THR 150 Ca 0.22 -0.65 0.05 0.00 0.31 0.00 0.00 61.69 61.63 1r56 s THR 150 Cb -0.15 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 1r56 s THR 150 CO 0.13 0.51 -0.08 0.68 -0.69 0.00 0.00 174.62 175.17 1r56 s VAL 151 N 0.59 1.25 -0.18 3.82 -7.23 -0.62 -5.01 120.40 113.03 1r56 s VAL 151 Ca -0.07 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 57.88 1r56 s VAL 151 Cb -0.15 -2.04 0.05 0.00 0.56 0.00 0.00 36.38 34.80 1r56 s VAL 151 CO 0.03 -0.59 0.45 -0.22 -0.31 0.00 0.00 175.10 174.46 1r56 s LEU 152 N -3.24 0.07 -0.08 1.32 0.20 -1.26 -1.99 118.68 113.71 1r56 s LEU 152 Ca 0.21 0.94 0.03 0.00 0.69 0.00 0.00 54.13 56.01 1r56 s LEU 152 Cb 0.03 1.53 0.01 0.00 -0.43 0.00 0.00 46.19 47.33 1r56 s LEU 152 CO 0.04 -0.17 -0.18 -1.59 -0.29 0.00 0.00 176.35 174.16 1r56 s LYS 153 N 0.71 2.26 0.16 1.98 -2.85 -0.06 -5.01 119.74 116.94 1r56 s LYS 153 Ca -0.04 -0.63 0.23 0.00 -1.00 0.00 0.00 55.97 54.54 1r56 s LYS 153 Cb -0.05 -1.79 0.90 0.00 -2.06 0.00 0.00 37.83 34.83 1r56 s LYS 153 CO -0.05 0.11 1.72 -1.13 0.10 0.00 0.00 175.35 176.10 1r56 n SER 154 N 3.62 0.50 -2.83 0.03 3.41 -1.26 -1.37 113.62 115.72 1r56 n SER 154 Ca -0.21 0.59 -0.07 0.00 -0.26 0.00 0.00 58.87 58.92 1r56 n SER 154 Cb 0.52 -0.71 0.03 0.00 -0.26 0.00 0.00 64.21 63.79 1r56 n SER 154 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1r56 n THR 155 N -2.01 0.00 -2.95 6.66 5.66 -1.25 -4.42 114.28 115.96 1r56 n THR 155 Ca 0.04 -0.84 -0.10 0.00 -3.05 0.00 0.00 64.05 60.11 1r56 n THR 155 Cb 0.29 0.89 0.03 0.00 -1.55 0.00 0.00 70.33 69.99 1r56 n THR 155 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1r56 n ASN 156 N -1.44 -3.81 -3.87 1.09 4.13 -1.26 -4.87 115.26 105.23 1r56 n ASN 156 Ca -0.07 -0.23 -0.11 0.00 1.68 0.00 0.00 54.58 55.85 1r56 n ASN 156 Cb 0.56 -2.40 -0.12 0.00 -1.54 0.00 0.00 39.78 36.29 1r56 n ASN 156 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1r56 s SER 157 N -3.14 -0.01 0.17 6.41 0.15 -1.26 -3.84 113.70 112.19 1r56 s SER 157 Ca 0.24 -0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.85 1r56 s SER 157 Cb -0.11 0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1r56 s SER 157 CO 0.30 -0.17 0.09 -1.10 1.20 0.00 0.00 173.24 173.57 1r56 s GLN 158 N -0.59 1.09 -0.30 5.44 -0.21 -0.29 -2.49 119.66 122.30 1r56 s GLN 158 Ca -0.07 -1.55 0.03 0.00 0.02 0.00 0.00 55.36 53.80 1r56 s GLN 158 Cb -0.04 0.21 0.20 0.00 1.00 0.00 0.00 33.01 34.37 1r56 s GLN 158 CO 0.00 -0.32 0.68 0.12 -2.12 0.00 0.00 175.29 173.66 1r56 s PHE 159 N -4.07 -1.59 0.27 0.91 5.36 -0.46 -3.99 117.98 114.41 1r56 s PHE 159 Ca 0.32 0.85 -0.05 0.00 -0.96 0.00 0.00 56.93 57.08 1r56 s PHE 159 Cb 0.07 0.27 -0.01 0.00 -0.34 0.00 0.00 43.02 43.02 1r56 s PHE 159 CO 0.07 -0.95 0.39 1.67 -1.46 0.00 0.00 175.22 174.94 1r56 s TRP 160 N 2.73 0.87 -0.46 10.12 1.48 -1.26 -1.93 118.94 130.49 1r56 s TRP 160 Ca 0.14 -1.13 0.00 0.00 -1.06 0.00 0.00 56.10 54.05 1r56 s TRP 160 Cb -0.08 -0.13 0.00 0.00 -1.16 0.00 0.00 33.47 32.11 1r56 s TRP 160 CO -0.23 -0.96 0.00 0.41 -4.06 0.00 0.00 176.95 172.11 1r56 n GLY 161 N -0.43 0.72 3.92 3.67 0.00 -1.26 -5.02 105.19 106.78 1r56 n GLY 161 Ca 0.01 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 1r56 n GLY 161 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r56 s PHE 162 N -2.12 3.51 -0.03 1.61 -0.71 -1.26 -5.01 117.98 113.97 1r56 s PHE 162 Ca 0.00 0.59 -0.35 0.00 -1.04 0.00 0.00 56.93 56.13 1r56 s PHE 162 Cb 0.00 -2.09 -0.13 0.00 -1.21 0.00 0.00 43.02 39.59 1r56 s PHE 162 CO 0.00 0.03 1.73 -0.11 -1.34 0.00 0.00 175.22 175.53 1r56 n LEU 163 N -1.59 3.03 -4.24 -1.99 0.00 -1.26 -4.98 117.00 105.97 1r56 n LEU 163 Ca -0.02 1.03 -0.33 0.00 0.00 0.00 0.00 56.01 56.69 1r56 n LEU 163 Cb 0.55 -1.34 -0.16 0.00 0.00 0.00 0.00 43.42 42.48 1r56 n LEU 163 CO 0.49 -0.27 -0.51 -0.13 0.00 0.00 0.00 177.39 176.97 1r56 s ARG 164 N 2.79 3.14 0.00 1.96 0.52 -1.26 -4.96 118.95 121.14 1r56 s ARG 164 Ca 0.89 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 55.29 1r56 s ARG 164 Cb -0.77 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.21 1r56 s ARG 164 CO 0.49 0.07 0.00 -0.40 0.02 0.00 0.00 175.30 175.49 1r56 n ASP 165 N 3.86 0.00 0.00 0.23 5.68 -1.26 -5.01 116.55 120.05 1r56 n ASP 165 Ca -0.19 -0.28 0.05 0.00 -0.50 0.00 0.00 54.79 53.86 1r56 n ASP 165 Cb 0.52 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.78 1r56 n ASP 165 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1r56 n GLU 166 N 0.00 0.49 -0.03 0.11 0.00 -1.26 -1.52 120.64 118.44 1r56 n GLU 166 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.20 1r56 n GLU 166 Cb 0.00 -1.30 0.05 0.00 0.00 0.00 0.00 31.44 30.19 1r56 n GLU 166 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1r56 n TYR 167 N -0.80 0.07 -3.68 -1.84 4.01 -1.26 -5.01 117.16 108.66 1r56 n TYR 167 Ca 0.07 -0.10 -0.37 0.00 -0.16 0.00 0.00 57.90 57.34 1r56 n TYR 167 Cb 0.03 -0.01 -0.06 0.00 -0.31 0.00 0.00 39.34 38.99 1r56 n TYR 167 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1r56 s THR 168 N -0.77 5.27 0.00 -0.72 2.01 -0.57 -4.94 115.64 115.93 1r56 s THR 168 Ca 0.11 0.52 0.00 0.00 0.31 0.00 0.00 61.69 62.64 1r56 s THR 168 Cb 0.07 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1r56 s THR 168 CO 0.11 0.58 0.00 0.35 -0.69 0.00 0.00 174.62 174.97 1r56 n THR 169 N 2.07 0.00 -1.69 -0.82 -2.24 -1.26 -4.88 114.28 105.46 1r56 n THR 169 Ca -0.16 0.00 -0.44 0.00 -2.27 0.00 0.00 64.05 61.17 1r56 n THR 169 Cb 0.53 0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 1r56 n THR 169 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1r56 n LEU 170 N -0.19 3.43 -4.86 3.22 7.94 -1.26 -4.97 117.00 120.32 1r56 n LEU 170 Ca 0.00 1.12 -0.36 0.00 -1.11 0.00 0.00 56.01 55.65 1r56 n LEU 170 Cb 0.00 -1.47 -0.06 0.00 0.53 0.00 0.00 43.42 42.42 1r56 n LEU 170 CO 0.00 -0.24 0.05 -0.54 -1.11 0.00 0.00 177.39 175.55 1r56 s LYS 171 N 0.14 3.77 0.60 1.96 1.02 -1.26 -5.06 119.74 120.91 1r56 s LYS 171 Ca 0.71 0.22 -0.18 0.00 0.02 0.00 0.00 55.97 56.74 1r56 s LYS 171 Cb -0.61 -3.13 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 1r56 s LYS 171 CO 0.44 0.65 1.18 -1.21 -0.92 0.00 0.00 175.35 175.50 1r56 s GLU 172 N -1.42 2.99 0.05 1.68 2.02 -1.26 -5.02 118.70 117.74 1r56 s GLU 172 Ca 0.26 1.74 -0.01 0.00 0.02 0.00 0.00 54.97 56.99 1r56 s GLU 172 Cb -0.15 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 32.10 1r56 s GLU 172 CO 0.14 -1.17 -0.03 -0.08 0.02 0.00 0.00 175.26 174.14 1r56 s THR 173 N -1.72 0.26 0.00 3.63 -1.32 -0.81 -5.01 115.64 110.68 1r56 s THR 173 Ca 0.75 -1.74 0.00 0.00 -1.21 0.00 0.00 61.69 59.49 1r56 s THR 173 Cb -0.28 -1.43 0.00 0.00 -1.51 0.00 0.00 72.50 69.28 1r56 s THR 173 CO 0.33 -0.94 0.33 0.79 -2.21 0.00 0.00 174.62 172.92 1r56 n TRP 174 N 0.23 0.00 -3.74 9.09 8.01 -1.26 -1.36 117.44 128.40 1r56 n TRP 174 Ca -0.15 0.00 -0.13 0.00 -1.31 0.00 0.00 57.50 55.91 1r56 n TRP 174 Cb 0.60 0.00 -0.14 0.00 -2.01 0.00 0.00 31.31 29.76 1r56 n TRP 174 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1r56 s ASP 175 N -0.29 -0.16 0.04 -0.99 2.15 -1.24 -4.53 116.67 111.65 1r56 s ASP 175 Ca 0.00 0.37 -0.28 0.00 0.43 0.00 0.00 52.55 53.07 1r56 s ASP 175 Cb 0.00 0.26 0.09 0.00 -0.30 0.00 0.00 42.92 42.97 1r56 s ASP 175 CO 0.00 -0.15 0.93 0.00 -0.17 0.00 0.00 175.17 175.78 1r56 s ARG 176 N 1.19 0.91 0.21 4.34 1.70 -1.04 -4.96 118.95 121.30 1r56 s ARG 176 Ca -0.09 -0.40 -0.25 0.00 -0.47 0.00 0.00 55.73 54.52 1r56 s ARG 176 Cb -0.11 0.37 -0.08 0.00 -0.57 0.00 0.00 34.95 34.56 1r56 s ARG 176 CO -0.07 -0.40 0.81 0.42 -1.08 0.00 0.00 175.30 174.98 1r56 s ILE 177 N -3.13 4.34 -0.20 4.99 1.01 -1.26 -3.90 121.20 123.05 1r56 s ILE 177 Ca 0.07 1.69 0.01 0.00 0.00 0.00 0.00 60.65 62.43 1r56 s ILE 177 Cb -0.01 -4.09 0.04 0.00 0.01 0.00 0.00 42.46 38.41 1r56 s ILE 177 CO -0.05 0.40 -0.10 -0.22 0.00 0.00 0.00 174.94 174.97 1r56 s LEU 178 N -1.45 2.25 0.03 2.97 2.96 -0.47 -4.89 118.68 120.09 1r56 s LEU 178 Ca 0.40 -0.88 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 1r56 s LEU 178 Cb -0.22 -1.22 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 1r56 s LEU 178 CO 0.26 -0.15 -0.13 -0.55 -1.32 0.00 0.00 176.35 174.46 1r56 s SER 179 N 1.40 1.56 -0.02 3.68 0.15 -1.26 -0.88 113.70 118.33 1r56 s SER 179 Ca -0.01 -0.42 -0.29 0.00 0.70 0.00 0.00 55.95 55.94 1r56 s SER 179 Cb -0.16 -0.11 0.10 0.00 -1.71 0.00 0.00 66.02 64.14 1r56 s SER 179 CO -0.08 0.04 0.87 0.28 1.20 0.00 0.00 173.24 175.55 1r56 s THR 180 N -0.77 0.00 0.09 6.45 -1.32 -0.84 -1.24 115.64 118.01 1r56 s THR 180 Ca 0.01 0.00 -0.08 0.00 -1.21 0.00 0.00 61.69 60.41 1r56 s THR 180 Cb -0.07 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.86 1r56 s THR 180 CO 0.01 0.00 0.39 -1.81 -2.21 0.00 0.00 174.62 171.00 1r56 s ASP 181 N -2.18 6.59 -0.17 8.08 1.01 -1.18 -1.59 116.67 127.24 1r56 s ASP 181 Ca 0.03 0.73 -0.03 0.00 0.71 0.00 0.00 52.55 53.99 1r56 s ASP 181 Cb -0.01 -2.15 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 1r56 s ASP 181 CO -0.06 0.15 -0.07 -0.69 0.21 0.00 0.00 175.17 174.70 1r56 s VAL 182 N -1.46 3.43 -0.25 -1.27 1.01 0.28 -3.74 120.40 118.40 1r56 s VAL 182 Ca 0.35 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 1r56 s VAL 182 Cb -0.13 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1r56 s VAL 182 CO 0.19 0.48 -0.05 -0.62 0.00 0.00 0.00 175.10 175.11 1r56 s ASP 183 N 0.74 4.39 -0.07 3.32 -1.08 -0.93 -3.51 116.67 119.54 1r56 s ASP 183 Ca -0.03 -0.84 0.03 0.00 -0.52 0.00 0.00 52.55 51.19 1r56 s ASP 183 Cb -0.15 -1.69 0.01 0.00 -1.46 0.00 0.00 42.92 39.63 1r56 s ASP 183 CO 0.02 -0.13 -0.16 0.00 0.52 0.00 0.00 175.17 175.42 1r56 s ALA 184 N 1.35 1.53 -0.07 3.66 0.00 -0.56 -0.90 121.76 126.77 1r56 s ALA 184 Ca 0.01 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.38 1r56 s ALA 184 Cb -0.17 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.36 1r56 s ALA 184 CO -0.04 0.20 -0.15 0.99 0.00 0.00 0.00 175.76 176.76 1r56 s THR 185 N 0.41 1.35 -0.16 0.00 2.01 0.14 -1.05 115.64 118.34 1r56 s THR 185 Ca -0.12 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.27 1r56 s THR 185 Cb -0.15 -1.21 0.01 0.00 0.01 0.00 0.00 72.50 71.16 1r56 s THR 185 CO 0.04 0.40 -0.19 -1.66 -0.69 0.00 0.00 174.62 172.53 1r56 s TRP 186 N 0.48 2.75 -0.30 4.92 -2.14 0.47 -0.38 118.94 124.74 1r56 s TRP 186 Ca -0.13 -1.35 -0.19 0.00 2.66 0.00 0.00 56.10 57.09 1r56 s TRP 186 Cb -0.15 -1.89 -0.02 0.00 -3.10 0.00 0.00 33.47 28.32 1r56 s TRP 186 CO 0.04 -0.64 0.55 -1.14 -2.66 0.00 0.00 176.95 173.10 1r56 s GLN 187 N 1.02 3.90 0.55 3.25 0.74 -0.52 -0.52 119.66 128.06 1r56 s GLN 187 Ca -0.02 0.18 -0.17 0.00 0.05 0.00 0.00 55.36 55.41 1r56 s GLN 187 Cb -0.15 -3.72 -0.06 0.00 1.10 0.00 0.00 33.01 30.19 1r56 s GLN 187 CO -0.05 -0.50 1.03 -1.58 -0.55 0.00 0.00 175.29 173.64 1r56 s TRP 188 N 2.43 3.13 0.59 1.67 0.52 -0.37 -0.07 118.94 126.84 1r56 s TRP 188 Ca 0.22 1.52 -0.19 0.00 0.02 0.00 0.00 56.10 57.66 1r56 s TRP 188 Cb -0.15 -2.95 -0.04 0.00 -1.15 0.00 0.00 33.47 29.18 1r56 s TRP 188 CO 0.11 -0.82 1.21 -1.59 0.02 0.00 0.00 176.95 175.88 1r56 s LYS 189 N -3.88 2.99 0.17 4.98 -2.85 0.90 -4.59 119.74 117.45 1r56 s LYS 189 Ca 0.63 1.83 -0.33 0.00 -1.00 0.00 0.00 55.97 57.10 1r56 s LYS 189 Cb -0.14 -1.94 -0.15 0.00 -2.06 0.00 0.00 37.83 33.54 1r56 s LYS 189 CO 0.31 -1.19 1.30 -1.71 0.10 0.00 0.00 175.35 174.16 1r56 n ASN 190 N -1.56 1.91 -4.68 0.03 2.85 -1.26 -4.82 115.26 107.73 1r56 n ASN 190 Ca 0.13 1.13 -0.35 0.00 -0.11 0.00 0.00 54.58 55.39 1r56 n ASN 190 Cb 0.49 -1.28 -0.09 0.00 1.24 0.00 0.00 39.78 40.14 1r56 n ASN 190 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1r56 s PHE 191 N 0.11 3.30 0.38 1.20 0.08 -0.16 -4.94 117.98 117.95 1r56 s PHE 191 Ca 0.75 0.16 0.22 0.00 0.12 0.00 0.00 56.93 58.19 1r56 s PHE 191 Cb -0.81 -2.04 1.19 0.00 -0.57 0.00 0.00 43.02 40.78 1r56 s PHE 191 CO 0.49 0.27 1.99 0.66 -0.10 0.00 0.00 175.22 178.52 1r56 h SER 192 N 6.35 0.00 -1.62 1.36 4.64 -1.92 1.19 113.55 123.54 1r56 h SER 192 Ca -0.41 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.15 1r56 h SER 192 Cb 1.17 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 1r56 h SER 192 CO 0.68 0.19 0.64 0.61 -0.87 0.00 0.00 176.83 178.08 1r56 n GLY 193 N -0.61 0.37 0.23 -0.77 0.00 -1.26 -4.29 105.19 98.86 1r56 n GLY 193 Ca -0.02 -1.00 0.07 0.00 0.00 0.00 0.00 46.02 45.08 1r56 n GLY 193 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1r56 h LEU 194 N 0.00 0.00 -0.44 0.99 6.46 -1.94 -2.08 115.31 118.30 1r56 h LEU 194 Ca -0.16 0.00 -0.15 0.00 -0.12 0.00 0.00 57.88 57.45 1r56 h LEU 194 Cb 0.85 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.77 1r56 h LEU 194 CO 0.23 0.20 -0.37 -0.61 -0.62 0.00 0.00 178.44 177.27 1r56 h GLN 195 N 0.00 0.91 -0.42 1.25 5.75 -1.98 -0.77 115.11 119.84 1r56 h GLN 195 Ca -0.00 -0.47 -0.15 0.00 -0.15 0.00 0.00 58.65 57.88 1r56 h GLN 195 Cb 0.41 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 1r56 h GLN 195 CO 0.03 1.12 -0.32 1.49 -2.65 0.00 0.00 178.83 178.49 1r56 h GLU 196 N 0.75 0.96 -0.11 1.69 4.81 -1.79 -2.14 114.58 118.74 1r56 h GLU 196 Ca 0.06 -0.47 0.01 0.00 -0.13 0.00 0.00 59.36 58.83 1r56 h GLU 196 Cb 0.95 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1r56 h GLU 196 CO 0.09 1.14 0.04 0.28 -0.73 0.00 0.00 179.01 179.83 1r56 h VAL 197 N 0.80 0.98 -0.68 0.32 2.07 -1.32 -1.72 116.25 116.70 1r56 h VAL 197 Ca 0.08 -0.03 0.17 0.00 0.82 0.00 0.00 66.70 67.74 1r56 h VAL 197 Cb 0.92 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1r56 h VAL 197 CO 0.09 0.02 0.47 0.03 0.02 0.00 0.00 177.57 178.20 1r56 h ARG 198 N 0.10 0.14 0.00 1.57 3.08 -0.95 -1.58 114.38 116.74 1r56 h ARG 198 Ca 0.05 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1r56 h ARG 198 Cb 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1r56 h ARG 198 CO -0.04 0.09 -0.04 0.66 -1.07 0.00 0.00 179.97 179.57 1r56 h SER 199 N 0.14 0.00 -0.41 7.04 4.64 -0.63 -3.24 113.55 121.09 1r56 h SER 199 Ca 0.33 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1r56 h SER 199 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1r56 h SER 199 CO -0.05 0.01 0.00 1.41 -0.87 0.00 0.00 176.83 177.33 1r56 n HIS 200 N -2.34 0.54 -0.36 4.77 8.25 -0.61 -4.74 115.22 120.73 1r56 n HIS 200 Ca 0.05 -0.41 0.31 0.00 -0.26 0.00 0.00 57.72 57.42 1r56 n HIS 200 Cb 0.44 -0.01 0.58 0.00 1.12 0.00 0.00 29.99 32.12 1r56 n HIS 200 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1r56 h VAL 201 N 2.93 0.10 0.00 1.59 2.07 -1.54 0.34 116.25 121.74 1r56 h VAL 201 Ca 0.00 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 1r56 h VAL 201 Cb 0.80 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 1r56 h VAL 201 CO 0.00 0.02 -0.44 -0.65 0.02 0.00 0.00 177.57 176.52 1r56 h PRO 202 N 0.10 0.00 -0.08 1.57 0.11 -1.89 -3.11 132.00 128.70 1r56 h PRO 202 Ca 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.93 1r56 h PRO 202 Cb 2.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 33.31 1r56 h PRO 202 CO -0.64 0.44 0.05 0.87 -0.21 0.00 0.00 178.00 178.50 1r56 h LYS 203 N 0.00 0.11 0.56 1.05 1.57 -0.68 -3.29 116.57 115.88 1r56 h LYS 203 Ca -0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1r56 h LYS 203 Cb 0.95 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.24 1r56 h LYS 203 CO 0.06 0.08 -0.27 0.74 -0.57 0.00 0.00 179.45 179.49 1r56 h PHE 204 N 0.11 -0.69 -0.55 -1.35 0.04 -1.65 -0.38 116.94 112.47 1r56 h PHE 204 Ca 0.03 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 1r56 h PHE 204 Cb -0.00 0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 1r56 h PHE 204 CO 0.00 -0.36 0.19 -0.44 -0.60 0.00 0.00 178.31 177.09 1r56 h ASP 205 N -1.00 0.75 -0.42 2.17 3.32 -1.77 -2.23 116.42 117.24 1r56 h ASP 205 Ca -0.08 -0.11 -0.15 0.00 0.02 0.00 0.00 57.03 56.71 1r56 h ASP 205 Cb 0.64 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1r56 h ASP 205 CO 0.13 0.70 -0.32 0.00 -1.72 0.00 0.00 179.24 178.03 1r56 h ALA 206 N 1.40 0.62 -0.09 3.45 0.00 -1.61 -1.78 119.26 121.26 1r56 h ALA 206 Ca 0.19 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1r56 h ALA 206 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1r56 h ALA 206 CO -0.01 0.68 -0.47 1.15 0.00 0.00 0.00 179.25 180.60 1r56 h THR 207 N 0.80 1.33 -0.27 0.00 2.02 -0.77 -1.15 112.91 114.88 1r56 h THR 207 Ca 0.08 -1.66 -0.05 0.00 0.77 0.00 0.00 66.41 65.55 1r56 h THR 207 Cb 0.91 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 69.10 1r56 h THR 207 CO 0.09 0.49 -0.04 -0.25 0.37 0.00 0.00 175.52 176.17 1r56 h TRP 208 N 0.17 0.56 -0.64 3.16 7.01 -1.30 0.26 115.95 125.17 1r56 h TRP 208 Ca 0.01 -0.11 -0.05 0.00 2.11 0.00 0.00 58.89 60.85 1r56 h TRP 208 Cb 0.90 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.79 1r56 h TRP 208 CO 0.01 0.70 0.21 0.00 -2.79 0.00 0.00 178.44 176.57 1r56 h ALA 209 N 0.79 1.16 -0.04 2.65 0.00 -1.21 0.31 119.26 122.92 1r56 h ALA 209 Ca 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1r56 h ALA 209 Cb 0.50 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1r56 h ALA 209 CO 0.02 0.59 0.01 1.15 0.00 0.00 0.00 179.25 181.02 1r56 h THR 210 N 0.94 1.16 -0.64 0.00 2.02 -0.98 -0.35 112.91 115.07 1r56 h THR 210 Ca 0.21 -0.49 0.07 0.00 0.77 0.00 0.00 66.41 66.97 1r56 h THR 210 Cb 0.25 1.41 -0.06 0.00 -1.74 0.00 0.00 68.15 68.02 1r56 h THR 210 CO -0.01 0.13 0.33 0.00 0.37 0.00 0.00 175.52 176.34 1r56 h ALA 211 N 0.82 0.85 0.20 6.16 0.00 -0.02 -0.68 119.26 126.59 1r56 h ALA 211 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1r56 h ALA 211 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1r56 h ALA 211 CO -0.00 -0.03 -0.10 -0.09 0.00 0.00 0.00 179.25 179.03 1r56 h ARG 212 N 0.60 -0.26 -0.74 0.00 2.43 -0.77 -2.26 114.38 113.37 1r56 h ARG 212 Ca 0.30 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.54 1r56 h ARG 212 Cb 0.24 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.80 1r56 h ARG 212 CO -0.21 -0.01 0.44 1.49 -1.51 0.00 0.00 179.97 180.16 1r56 h GLU 213 N -0.49 0.79 -0.70 0.20 4.81 -0.95 -2.01 114.58 116.23 1r56 h GLU 213 Ca -0.03 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1r56 h GLU 213 Cb 0.37 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1r56 h GLU 213 CO 0.05 0.52 0.29 0.28 -0.73 0.00 0.00 179.01 179.42 1r56 h VAL 214 N 0.82 1.24 0.06 0.32 2.07 -1.12 -1.78 116.25 117.85 1r56 h VAL 214 Ca 0.32 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1r56 h VAL 214 Cb 0.14 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 1r56 h VAL 214 CO -0.16 0.30 -0.03 0.74 0.02 0.00 0.00 177.57 178.44 1r56 h THR 215 N 0.99 0.97 -0.06 2.57 2.02 -0.99 -1.49 112.91 116.93 1r56 h THR 215 Ca 0.23 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1r56 h THR 215 Cb 0.19 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1r56 h THR 215 CO -0.02 0.03 -0.01 -0.07 0.37 0.00 0.00 175.52 175.82 1r56 h LEU 216 N -0.13 0.12 0.04 2.58 4.07 -1.31 -2.08 115.31 118.60 1r56 h LEU 216 Ca -0.01 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.61 1r56 h LEU 216 Cb 0.11 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 1r56 h LEU 216 CO 0.01 0.43 -0.05 0.50 -1.08 0.00 0.00 178.44 178.26 1r56 h LYS 217 N -0.20 -0.10 -0.58 1.13 3.64 -1.36 0.22 116.57 119.32 1r56 h LYS 217 Ca 0.02 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1r56 h LYS 217 Cb 0.37 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1r56 h LYS 217 CO 0.00 -0.07 0.16 1.15 -2.27 0.00 0.00 179.45 178.43 1r56 h THR 218 N -0.10 1.25 -0.11 1.00 2.02 -1.34 0.25 112.91 115.88 1r56 h THR 218 Ca 0.01 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.34 1r56 h THR 218 Cb 0.10 0.69 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 1r56 h THR 218 CO -0.02 0.32 0.02 0.15 0.37 0.00 0.00 175.52 176.36 1r56 h PHE 219 N 0.83 0.03 -0.64 3.16 3.57 -1.11 0.30 116.94 123.08 1r56 h PHE 219 Ca 0.19 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.63 1r56 h PHE 219 Cb 0.32 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1r56 h PHE 219 CO 0.02 0.01 0.15 0.00 -2.23 0.00 0.00 178.31 176.26 1r56 h ALA 220 N 1.09 0.84 0.00 2.41 0.00 -0.22 -3.33 119.26 120.05 1r56 h ALA 220 Ca 0.05 -0.24 -0.24 0.00 0.00 0.00 0.00 54.91 54.48 1r56 h ALA 220 Cb 0.05 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1r56 h ALA 220 CO -0.07 0.56 -1.41 0.93 0.00 0.00 0.00 179.25 179.26 1r56 h GLU 221 N 0.95 0.00 -6.46 0.00 5.08 -0.84 -3.46 114.58 109.84 1r56 h GLU 221 Ca 0.20 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 58.03 1r56 h GLU 221 Cb 0.37 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.63 1r56 h GLU 221 CO 0.00 0.57 0.85 0.34 -1.00 0.00 0.00 179.01 179.77 1r56 s ASP 222 N -6.20 6.76 -0.69 1.42 -1.08 0.08 -4.96 116.67 112.01 1r56 s ASP 222 Ca -0.02 2.31 -0.05 0.00 -0.52 0.00 0.00 52.55 54.27 1r56 s ASP 222 Cb 0.09 -2.57 0.18 0.00 -1.46 0.00 0.00 42.92 39.15 1r56 s ASP 222 CO 0.82 -0.75 0.53 0.21 0.52 0.00 0.00 175.17 176.50 1r56 s ASN 223 N 1.72 5.58 0.30 -0.34 3.84 -1.26 -4.83 114.94 119.95 1r56 s ASN 223 Ca 0.67 -2.90 0.09 0.00 0.21 0.00 0.00 52.86 50.94 1r56 s ASN 223 Cb -0.36 -1.93 -0.06 0.00 -0.55 0.00 0.00 41.25 38.35 1r56 s ASN 223 CO 0.29 -0.39 -0.12 -0.55 -2.79 0.00 0.00 177.10 173.54 1r56 s SER 224 N 0.90 3.37 -0.04 -4.21 0.15 -1.25 -4.98 113.70 107.64 1r56 s SER 224 Ca 0.18 -1.13 0.11 0.00 0.70 0.00 0.00 55.95 55.81 1r56 s SER 224 Cb -0.17 -0.28 0.31 0.00 -1.71 0.00 0.00 66.02 64.17 1r56 s SER 224 CO -0.05 -0.16 1.25 0.00 1.20 0.00 0.00 173.24 175.49 1r56 n ALA 225 N -0.66 2.33 -3.68 5.45 0.00 -1.26 -1.14 120.51 121.55 1r56 n ALA 225 Ca -0.05 -1.42 -0.25 0.00 0.00 0.00 0.00 53.44 51.71 1r56 n ALA 225 Cb 0.62 -0.44 -0.17 0.00 0.00 0.00 0.00 19.45 19.46 1r56 n ALA 225 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1r56 s SER 226 N -1.26 2.19 0.30 0.00 0.15 -1.26 -4.49 113.70 109.32 1r56 s SER 226 Ca 0.25 -0.48 0.07 0.00 0.70 0.00 0.00 55.95 56.49 1r56 s SER 226 Cb 0.16 -0.36 0.46 0.00 -1.71 0.00 0.00 66.02 64.56 1r56 s SER 226 CO 0.12 -0.30 1.70 0.58 1.20 0.00 0.00 173.24 176.54 1r56 h VAL 227 N 6.44 1.31 -0.43 4.45 2.07 -1.91 -2.17 116.25 126.01 1r56 h VAL 227 Ca -0.16 -1.54 0.03 0.00 0.82 0.00 0.00 66.70 65.85 1r56 h VAL 227 Cb 1.13 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 1r56 h VAL 227 CO 0.28 0.46 0.23 1.56 0.02 0.00 0.00 177.57 180.12 1r56 h GLN 228 N 0.19 0.45 -0.26 1.57 7.50 -1.99 -0.37 115.11 122.20 1r56 h GLN 228 Ca 0.02 -0.03 -0.17 0.00 0.50 0.00 0.00 58.65 58.97 1r56 h GLN 228 Cb 0.82 -0.10 -0.00 0.00 0.05 0.00 0.00 27.48 28.25 1r56 h GLN 228 CO 0.06 0.30 -0.51 0.00 -1.50 0.00 0.00 178.83 177.18 1r56 h ALA 229 N 1.21 0.60 -0.87 3.87 0.00 -1.94 -1.99 119.26 120.14 1r56 h ALA 229 Ca 0.18 -0.50 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1r56 h ALA 229 Cb 0.05 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1r56 h ALA 229 CO -0.10 0.68 0.57 1.15 0.00 0.00 0.00 179.25 181.55 1r56 h THR 230 N 0.58 1.20 0.00 0.00 2.02 -0.82 -0.79 112.91 115.09 1r56 h THR 230 Ca 0.02 -0.40 -0.11 0.00 0.77 0.00 0.00 66.41 66.70 1r56 h THR 230 Cb 1.09 -0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1r56 h THR 230 CO 0.11 0.21 -0.50 0.00 0.37 0.00 0.00 175.52 175.71 1r56 h MET 231 N 1.16 0.00 -0.32 6.66 -0.00 -0.99 -2.52 114.93 118.93 1r56 h MET 231 Ca 0.32 0.00 -0.09 0.00 -0.00 0.00 0.00 59.70 59.93 1r56 h MET 231 Cb -0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.48 1r56 h MET 231 CO -0.08 0.50 -0.20 -0.92 -0.00 0.00 0.00 176.91 176.21 1r56 h TYR 232 N 0.00 0.65 -0.00 -0.10 3.20 -0.86 -1.35 116.97 118.52 1r56 h TYR 232 Ca -0.01 -0.13 -0.11 0.00 3.14 0.00 0.00 58.73 61.62 1r56 h TYR 232 Cb 1.26 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 1r56 h TYR 232 CO 0.00 0.75 -0.52 0.87 -1.64 0.00 0.00 178.16 177.61 1r56 h LYS 233 N 0.53 0.01 -0.03 1.82 1.57 -0.99 -2.33 116.57 117.14 1r56 h LYS 233 Ca 0.08 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1r56 h LYS 233 Cb 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.95 1r56 h LYS 233 CO 0.05 0.53 -0.03 0.52 -0.57 0.00 0.00 179.45 179.94 1r56 h MET 234 N 0.00 0.08 -0.23 3.15 2.86 -0.95 -3.18 114.93 116.66 1r56 h MET 234 Ca -0.00 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1r56 h MET 234 Cb 0.93 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.56 1r56 h MET 234 CO 0.07 0.53 0.04 0.00 1.06 0.00 0.00 176.91 178.61 1r56 h ALA 235 N 0.55 0.24 -0.53 6.32 0.00 -1.11 -2.84 119.26 121.88 1r56 h ALA 235 Ca 0.01 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.07 1r56 h ALA 235 Cb 0.52 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 1r56 h ALA 235 CO 0.01 -0.38 -0.13 0.93 0.00 0.00 0.00 179.25 179.67 1r56 h GLU 236 N 0.13 -0.00 -0.30 0.00 5.08 -1.51 -0.26 114.58 117.72 1r56 h GLU 236 Ca 0.11 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1r56 h GLU 236 Cb 0.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 1r56 h GLU 236 CO -0.15 -0.00 0.03 1.96 -1.00 0.00 0.00 179.01 179.85 1r56 h GLN 237 N -0.00 0.45 -0.07 2.33 4.20 -1.51 -0.40 115.11 120.11 1r56 h GLN 237 Ca 0.26 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 1r56 h GLN 237 Cb 0.39 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.10 1r56 h GLN 237 CO -0.55 0.45 -0.20 0.82 -0.67 0.00 0.00 178.83 178.68 1r56 h ILE 238 N 0.44 1.42 -0.73 2.54 2.04 -1.09 -2.41 117.51 119.72 1r56 h ILE 238 Ca 0.10 -1.57 0.03 0.00 1.00 0.00 0.00 64.86 64.43 1r56 h ILE 238 Cb 0.24 2.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.54 1r56 h ILE 238 CO 0.00 0.44 0.48 -0.07 0.00 0.00 0.00 178.15 179.00 1r56 h LEU 239 N -0.23 0.76 -0.24 1.44 3.38 -0.90 -2.51 115.31 117.01 1r56 h LEU 239 Ca -0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1r56 h LEU 239 Cb 0.82 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1r56 h LEU 239 CO 0.04 0.52 -0.11 0.00 0.09 0.00 0.00 178.44 178.98 1r56 h ALA 240 N 1.58 0.33 0.00 1.53 0.00 -1.08 -3.20 119.26 118.42 1r56 h ALA 240 Ca 0.29 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r56 h ALA 240 Cb 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1r56 h ALA 240 CO -0.08 0.18 0.00 0.54 0.00 0.00 0.00 179.25 179.89 1r56 n ARG 241 N -4.50 0.11 -3.49 0.00 1.74 -0.91 -4.64 116.66 104.96 1r56 n ARG 241 Ca -0.04 0.14 -0.22 0.00 -0.77 0.00 0.00 57.85 56.97 1r56 n ARG 241 Cb 0.34 -1.64 -0.13 0.00 -1.02 0.00 0.00 32.46 30.01 1r56 n ARG 241 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1r56 s GLN 242 N -3.06 0.21 0.33 5.56 2.00 -0.97 -5.03 119.66 118.71 1r56 s GLN 242 Ca 0.11 -0.11 0.08 0.00 -2.00 0.00 0.00 55.36 53.45 1r56 s GLN 242 Cb 0.15 -1.12 0.59 0.00 0.80 0.00 0.00 33.01 33.43 1r56 s GLN 242 CO 0.51 -0.85 1.78 0.37 -0.50 0.00 0.00 175.29 176.60 1r56 h GLN 243 N 8.34 0.20 0.00 1.67 5.75 -1.82 -3.07 115.11 126.18 1r56 h GLN 243 Ca -0.16 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 1r56 h GLN 243 Cb 1.10 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.63 1r56 h GLN 243 CO 0.34 0.51 0.00 1.28 -2.65 0.00 0.00 178.83 178.31 1r56 n LEU 244 N -4.11 0.00 -4.74 -2.39 4.32 -1.26 -4.75 117.00 104.08 1r56 n LEU 244 Ca -0.01 0.40 -0.40 0.00 -0.02 0.00 0.00 56.01 55.98 1r56 n LEU 244 Cb 0.41 -0.40 -0.05 0.00 -1.62 0.00 0.00 43.42 41.76 1r56 n LEU 244 CO 0.40 -0.19 0.51 -0.63 -1.22 0.00 0.00 177.39 176.26 1r56 s ILE 245 N -2.81 4.75 -0.21 -0.08 -1.09 -1.16 -0.07 121.20 120.54 1r56 s ILE 245 Ca 0.11 1.71 -0.07 0.00 -2.23 0.00 0.00 60.65 60.17 1r56 s ILE 245 Cb 0.11 -4.15 -0.20 0.00 -1.58 0.00 0.00 42.46 36.63 1r56 s ILE 245 CO 0.27 0.33 0.03 -0.62 -1.23 0.00 0.00 174.94 173.71 1r56 n GLU 246 N 3.02 0.67 -3.98 2.79 1.02 0.90 -4.85 120.64 120.21 1r56 n GLU 246 Ca -0.01 0.27 -0.09 0.00 -0.02 0.00 0.00 57.16 57.31 1r56 n GLU 246 Cb 0.50 -1.62 -0.10 0.00 -0.02 0.00 0.00 31.44 30.20 1r56 n GLU 246 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1r56 s THR 247 N -2.51 0.14 -0.08 2.62 -4.23 -1.22 -3.91 115.64 106.45 1r56 s THR 247 Ca -0.30 -1.12 0.03 0.00 -1.18 0.00 0.00 61.69 59.12 1r56 s THR 247 Cb 0.09 -0.68 0.01 0.00 1.34 0.00 0.00 72.50 73.26 1r56 s THR 247 CO 0.64 -0.62 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.25 1r56 s VAL 248 N -2.22 1.50 -0.06 2.29 1.01 -0.12 -1.44 120.40 121.35 1r56 s VAL 248 Ca -0.09 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.24 1r56 s VAL 248 Cb -0.04 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1r56 s VAL 248 CO -0.03 0.43 -0.18 -0.70 0.00 0.00 0.00 175.10 174.62 1r56 s GLU 249 N 0.48 2.09 0.02 2.72 2.12 0.49 0.56 118.70 127.19 1r56 s GLU 249 Ca -0.15 -0.64 0.08 0.00 0.36 0.00 0.00 54.97 54.62 1r56 s GLU 249 Cb -0.16 -1.72 -0.03 0.00 0.26 0.00 0.00 34.13 32.48 1r56 s GLU 249 CO 0.05 0.18 -0.23 0.71 -0.54 0.00 0.00 175.26 175.44 1r56 s TYR 250 N 0.26 2.43 -0.15 5.30 2.02 -0.50 -0.68 117.35 126.02 1r56 s TYR 250 Ca -0.10 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 56.23 1r56 s TYR 250 Cb -0.14 -1.46 0.05 0.00 -0.40 0.00 0.00 41.96 40.01 1r56 s TYR 250 CO 0.04 0.13 0.02 0.45 -1.57 0.00 0.00 175.55 174.62 1r56 s SER 251 N -1.09 2.48 -0.32 2.29 0.15 -0.08 -1.98 113.70 115.15 1r56 s SER 251 Ca 0.12 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.21 1r56 s SER 251 Cb -0.10 -0.56 0.08 0.00 -1.71 0.00 0.00 66.02 63.72 1r56 s SER 251 CO 0.02 -0.26 0.01 -0.76 1.20 0.00 0.00 173.24 173.45 1r56 s LEU 252 N 1.88 4.23 -0.66 3.45 1.43 0.12 -2.20 118.68 126.94 1r56 s LEU 252 Ca 0.01 -1.72 -0.21 0.00 -1.03 0.00 0.00 54.13 51.18 1r56 s LEU 252 Cb -0.15 -1.65 0.09 0.00 0.03 0.00 0.00 46.19 44.51 1r56 s LEU 252 CO -0.07 -0.32 0.88 -2.16 0.23 0.00 0.00 176.35 174.91 1r56 s PRO 253 N 1.07 3.14 0.67 1.29 0.05 -1.25 -1.00 135.00 138.98 1r56 s PRO 253 Ca 0.01 -1.14 -0.17 0.00 0.05 0.00 0.00 61.00 59.75 1r56 s PRO 253 Cb -0.20 -4.32 -0.03 0.00 0.05 0.00 0.00 34.50 30.01 1r56 s PRO 253 CO -0.05 -1.70 0.82 0.09 0.05 0.00 0.00 177.00 176.21 1r56 n ASN 254 N 7.00 0.03 -3.83 6.66 5.03 0.17 -3.12 115.26 127.20 1r56 n ASN 254 Ca -0.03 0.69 -0.29 0.00 0.87 0.00 0.00 54.58 55.82 1r56 n ASN 254 Cb 0.45 -1.34 -0.16 0.00 -1.02 0.00 0.00 39.78 37.71 1r56 n ASN 254 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1r56 s LYS 255 N -2.93 1.11 0.26 3.52 1.02 -0.38 -4.19 119.74 118.16 1r56 s LYS 255 Ca 0.72 -0.71 -0.28 0.00 0.02 0.00 0.00 55.97 55.72 1r56 s LYS 255 Cb -0.37 -2.34 -0.09 0.00 -0.52 0.00 0.00 37.83 34.51 1r56 s LYS 255 CO 0.51 -0.63 0.91 -1.01 -0.92 0.00 0.00 175.35 174.21 1r56 s HIS 256 N 1.63 3.87 -0.25 3.18 3.76 -1.26 -4.12 115.29 122.10 1r56 s HIS 256 Ca -0.03 1.82 0.02 0.00 -0.15 0.00 0.00 55.06 56.72 1r56 s HIS 256 Cb -0.18 -2.92 0.06 0.00 1.11 0.00 0.00 32.58 30.65 1r56 s HIS 256 CO -0.08 0.38 -0.07 0.71 -0.85 0.00 0.00 174.74 174.83 1r56 s TYR 257 N -1.33 2.76 0.12 1.40 1.51 -1.26 -0.55 117.35 120.00 1r56 s TYR 257 Ca 0.43 -2.00 -0.16 0.00 -1.01 0.00 0.00 57.07 54.33 1r56 s TYR 257 Cb -0.23 -1.74 -0.07 0.00 -0.11 0.00 0.00 41.96 39.81 1r56 s TYR 257 CO 0.28 -0.82 0.56 -0.06 -1.11 0.00 0.00 175.55 174.40 1r56 s PHE 258 N 1.27 3.67 0.42 2.71 0.40 -0.37 -4.89 117.98 121.20 1r56 s PHE 258 Ca -0.07 1.13 -0.24 0.00 -0.60 0.00 0.00 56.93 57.16 1r56 s PHE 258 Cb -0.19 -2.41 -0.08 0.00 0.51 0.00 0.00 43.02 40.84 1r56 s PHE 258 CO -0.06 0.48 1.10 -1.21 0.70 0.00 0.00 175.22 176.23 1r56 s GLU 259 N -1.68 4.02 -0.28 0.44 2.02 -1.26 -1.14 118.70 120.83 1r56 s GLU 259 Ca 0.35 1.63 -0.03 0.00 0.02 0.00 0.00 54.97 56.94 1r56 s GLU 259 Cb -0.16 -2.52 0.03 0.00 0.10 0.00 0.00 34.13 31.58 1r56 s GLU 259 CO 0.19 -0.29 -0.01 0.42 0.02 0.00 0.00 175.26 175.59 1r56 s ILE 260 N -1.59 3.16 -0.22 -1.63 1.01 -1.25 -4.84 121.20 115.84 1r56 s ILE 260 Ca 0.59 -1.06 -0.29 0.00 0.00 0.00 0.00 60.65 59.89 1r56 s ILE 260 Cb -0.25 -2.68 -0.00 0.00 0.01 0.00 0.00 42.46 39.54 1r56 s ILE 260 CO 0.31 0.07 1.20 -0.62 0.00 0.00 0.00 174.94 175.91 1r56 s ASP 261 N 1.34 6.93 -0.08 3.58 2.15 -1.26 -4.58 116.67 124.76 1r56 s ASP 261 Ca -0.01 1.48 0.12 0.00 0.43 0.00 0.00 52.55 54.57 1r56 s ASP 261 Cb -0.18 -2.54 0.25 0.00 -0.30 0.00 0.00 42.92 40.15 1r56 s ASP 261 CO -0.02 -0.81 1.16 0.18 -0.17 0.00 0.00 175.17 175.52 1r56 n LEU 262 N 6.74 2.58 0.08 -1.34 4.77 -1.26 -4.74 117.00 123.84 1r56 n LEU 262 Ca 0.13 -2.61 0.10 0.00 -0.03 0.00 0.00 56.01 53.61 1r56 n LEU 262 Cb 0.46 -0.29 0.43 0.00 -2.33 0.00 0.00 43.42 41.68 1r56 n LEU 262 CO 0.56 0.64 0.82 -1.54 -1.33 0.00 0.00 177.39 176.55 1r56 n SER 263 N -0.75 0.44 0.08 -1.43 3.41 -1.09 -0.90 113.62 113.38 1r56 n SER 263 Ca 0.12 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.44 1r56 n SER 263 Cb 0.54 -0.70 0.45 0.00 -0.26 0.00 0.00 64.21 64.24 1r56 n SER 263 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1r56 n TRP 264 N -1.98 0.58 -3.73 7.33 4.27 -1.26 -2.72 117.44 119.93 1r56 n TRP 264 Ca 0.03 0.20 -0.36 0.00 -3.89 0.00 0.00 57.50 53.48 1r56 n TRP 264 Cb 0.22 -0.82 -0.10 0.00 -1.36 0.00 0.00 31.31 29.25 1r56 n TRP 264 CO 0.00 0.00 0.00 -1.58 -2.29 0.00 0.00 177.69 173.82 1r56 s HIS 265 N -3.15 3.43 -1.78 -2.67 5.04 -0.08 -4.73 115.29 111.36 1r56 s HIS 265 Ca 0.08 -2.69 0.00 0.00 -1.54 0.00 0.00 55.06 50.91 1r56 s HIS 265 Cb 0.12 -3.19 0.00 0.00 0.04 0.00 0.00 32.58 29.54 1r56 s HIS 265 CO 0.45 -0.85 0.00 1.63 -2.34 0.00 0.00 174.74 173.63 1r56 n LYS 266 N 3.61 -1.70 -1.29 2.88 5.02 -1.26 -2.22 118.16 123.20 1r56 n LYS 266 Ca 0.07 1.00 -0.10 0.00 -2.02 0.00 0.00 58.31 57.26 1r56 n LYS 266 Cb 0.38 -5.65 -0.04 0.00 -0.02 0.00 0.00 35.03 29.70 1r56 n LYS 266 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r56 n GLY 267 N -0.96 1.14 3.66 0.72 0.00 -1.10 -4.94 105.19 103.70 1r56 n GLY 267 Ca -0.24 -0.49 -0.49 0.00 0.00 0.00 0.00 46.02 44.80 1r56 n GLY 267 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1r56 n LEU 268 N -1.14 2.83 -4.46 0.99 7.94 -0.94 -4.87 117.00 117.35 1r56 n LEU 268 Ca -0.10 1.07 -0.38 0.00 -1.11 0.00 0.00 56.01 55.49 1r56 n LEU 268 Cb 0.35 -1.35 -0.12 0.00 0.53 0.00 0.00 43.42 42.83 1r56 n LEU 268 CO 0.15 -0.40 -0.23 -1.10 -1.11 0.00 0.00 177.39 174.71 1r56 s GLN 269 N 1.69 3.50 0.00 1.96 -1.52 -1.26 -2.69 119.66 121.35 1r56 s GLN 269 Ca 0.84 -0.60 0.05 0.00 -1.95 0.00 0.00 55.36 53.70 1r56 s GLN 269 Cb -0.77 -3.50 0.08 0.00 -0.22 0.00 0.00 33.01 28.61 1r56 s GLN 269 CO 0.45 -0.32 0.91 -1.71 -0.25 0.00 0.00 175.29 174.37 1r56 n ASN 270 N 4.97 0.09 -4.55 5.90 5.15 -1.26 -4.69 115.26 120.88 1r56 n ASN 270 Ca -0.15 -1.75 -0.25 0.00 -0.60 0.00 0.00 54.58 51.83 1r56 n ASN 270 Cb 0.50 -0.12 -0.10 0.00 -0.53 0.00 0.00 39.78 39.53 1r56 n ASN 270 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1r56 s THR 271 N 0.00 2.36 0.00 -0.44 -4.23 -1.26 -3.77 115.64 108.30 1r56 s THR 271 Ca 0.06 -2.20 0.00 0.00 -1.18 0.00 0.00 61.69 58.37 1r56 s THR 271 Cb 0.07 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.30 1r56 s THR 271 CO -0.03 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1r56 n GLY 272 N -0.79 2.93 0.35 3.99 0.00 -1.26 -0.38 105.19 110.03 1r56 n GLY 272 Ca -0.05 0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.16 1r56 n GLY 272 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r56 h LYS 273 N 0.00 0.00 -0.02 1.61 1.57 -1.99 -0.67 116.57 117.06 1r56 h LYS 273 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r56 h LYS 273 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1r56 h LYS 273 CO 0.00 0.00 -0.23 0.09 -0.57 0.00 0.00 179.45 178.74 1r56 n ASN 274 N -3.38 2.17 -4.68 0.86 4.13 0.49 -4.97 115.26 109.87 1r56 n ASN 274 Ca 0.01 -1.60 -0.44 0.00 1.68 0.00 0.00 54.58 54.24 1r56 n ASN 274 Cb 0.39 0.21 -0.04 0.00 -1.54 0.00 0.00 39.78 38.80 1r56 n ASN 274 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1r56 n ALA 275 N 0.39 1.63 0.00 5.41 0.00 -0.26 -4.25 120.51 123.43 1r56 n ALA 275 Ca 0.12 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1r56 n ALA 275 Cb 0.48 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.35 1r56 n ALA 275 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1r56 n GLU 276 N 6.30 0.01 -3.91 0.00 1.02 -1.26 -4.95 120.64 117.85 1r56 n GLU 276 Ca 0.20 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.98 1r56 n GLU 276 Cb 0.36 -0.80 -0.12 0.00 -0.02 0.00 0.00 31.44 30.86 1r56 n GLU 276 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1r56 s VAL 277 N -1.60 4.19 0.25 2.62 1.01 -1.26 -5.11 120.40 120.50 1r56 s VAL 277 Ca 0.00 -0.22 0.11 0.00 0.00 0.00 0.00 61.98 61.86 1r56 s VAL 277 Cb 0.00 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 1r56 s VAL 277 CO 0.00 0.39 -0.19 -0.36 0.00 0.00 0.00 175.10 174.94 1r56 s PHE 278 N 1.25 2.09 -0.34 5.22 0.40 -1.26 -3.88 117.98 121.47 1r56 s PHE 278 Ca 0.04 -0.41 -0.10 0.00 -0.60 0.00 0.00 56.93 55.86 1r56 s PHE 278 Cb -0.15 -0.94 0.01 0.00 0.51 0.00 0.00 43.02 42.46 1r56 s PHE 278 CO 0.02 0.58 0.17 0.00 0.70 0.00 0.00 175.22 176.69 1r56 s ALA 279 N -2.56 3.24 0.21 5.36 0.00 -0.29 -4.93 121.76 122.78 1r56 s ALA 279 Ca 0.26 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 50.37 1r56 s ALA 279 Cb -0.04 -2.44 -0.09 0.00 0.00 0.00 0.00 23.12 20.55 1r56 s ALA 279 CO 0.12 -1.14 1.35 -2.14 0.00 0.00 0.00 175.76 173.96 1r56 s PRO 280 N 1.56 4.35 -0.13 0.00 0.02 -1.26 -1.23 135.00 138.31 1r56 s PRO 280 Ca 0.03 2.13 -0.11 0.00 0.02 0.00 0.00 61.00 63.07 1r56 s PRO 280 Cb -0.18 -3.17 -0.05 0.00 0.02 0.00 0.00 34.50 31.12 1r56 s PRO 280 CO 0.06 -0.31 0.22 -0.65 -0.33 0.00 0.00 177.00 175.98 1r56 s GLN 281 N -0.08 3.92 0.12 5.54 -1.52 0.29 -4.92 119.66 123.00 1r56 s GLN 281 Ca 0.58 -0.01 0.09 0.00 -1.95 0.00 0.00 55.36 54.07 1r56 s GLN 281 Cb -0.38 -3.32 -0.18 0.00 -0.22 0.00 0.00 33.01 28.91 1r56 s GLN 281 CO 0.39 0.50 1.22 0.77 -0.25 0.00 0.00 175.29 177.92 1r56 h SER 282 N 5.82 0.00 -4.63 5.90 0.02 -1.95 -3.39 113.55 115.32 1r56 h SER 282 Ca -0.47 0.00 0.10 0.00 -0.84 0.00 0.00 61.79 60.58 1r56 h SER 282 Cb 1.19 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.58 1r56 h SER 282 CO 0.68 0.94 0.49 1.51 -1.14 0.00 0.00 176.83 179.30 1r56 s ASP 283 N -6.59 -0.37 1.00 3.07 1.47 -1.26 -4.85 116.67 109.13 1r56 s ASP 283 Ca 0.01 0.03 -0.00 0.00 1.18 0.00 0.00 52.55 53.76 1r56 s ASP 283 Cb 0.09 0.39 0.00 0.00 -0.34 0.00 0.00 42.92 43.06 1r56 s ASP 283 CO 0.81 -0.62 0.01 -0.81 0.68 0.00 0.00 175.17 175.24 1r56 n PRO 284 N -0.19 -0.03 -3.74 2.11 -0.04 -1.26 -5.10 135.00 126.75 1r56 n PRO 284 Ca -0.09 -0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.22 1r56 n PRO 284 Cb 0.62 -0.01 -0.10 0.00 -0.04 0.00 0.00 33.50 33.97 1r56 n PRO 284 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1r56 s ASN 285 N -1.04 -0.32 0.36 3.54 4.22 -1.26 -4.74 114.94 115.69 1r56 s ASN 285 Ca 0.00 0.50 -0.27 0.00 -2.14 0.00 0.00 52.86 50.96 1r56 s ASN 285 Cb -0.00 0.59 -0.09 0.00 1.28 0.00 0.00 41.25 43.03 1r56 s ASN 285 CO 0.00 -0.26 1.20 -0.83 -2.04 0.00 0.00 177.10 175.16 1r56 s GLY 286 N -0.41 2.95 -0.11 0.45 0.00 -1.26 -4.87 107.32 104.07 1r56 s GLY 286 Ca -0.05 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.71 1r56 s GLY 286 CO 0.02 1.61 -0.10 -2.27 0.00 0.00 0.00 173.10 172.36 1r56 s LEU 287 N -2.09 1.39 -0.08 0.66 2.96 -1.26 0.43 118.68 120.70 1r56 s LEU 287 Ca 0.52 -0.34 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1r56 s LEU 287 Cb -0.34 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.45 1r56 s LEU 287 CO 0.43 -0.07 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.61 1r56 s ILE 288 N 1.42 1.39 0.12 6.68 1.09 -0.17 -4.98 121.20 126.76 1r56 s ILE 288 Ca 0.01 -0.62 0.05 0.00 -1.10 0.00 0.00 60.65 58.99 1r56 s ILE 288 Cb -0.13 -1.26 -0.04 0.00 -1.06 0.00 0.00 42.46 39.97 1r56 s ILE 288 CO -0.06 0.41 -0.11 -0.54 -0.10 0.00 0.00 174.94 174.54 1r56 s LYS 289 N 0.71 0.96 0.02 2.79 1.02 -1.26 0.12 119.74 124.10 1r56 s LYS 289 Ca -0.13 -1.27 -0.28 0.00 0.02 0.00 0.00 55.97 54.31 1r56 s LYS 289 Cb -0.16 -0.67 0.08 0.00 -0.52 0.00 0.00 37.83 36.55 1r56 s LYS 289 CO 0.03 0.11 0.69 0.00 -0.92 0.00 0.00 175.35 175.26 1r56 s THR 291 N -2.21 2.19 -0.16 0.00 2.01 -1.26 -1.41 115.64 114.80 1r56 s THR 291 Ca -0.05 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 61.00 1r56 s THR 291 Cb -0.00 -1.89 -0.02 0.00 0.01 0.00 0.00 72.50 70.60 1r56 s THR 291 CO -0.00 0.54 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.71 1r56 s VAL 292 N 0.91 3.50 0.13 3.82 1.01 0.19 -4.96 120.40 125.00 1r56 s VAL 292 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1r56 s VAL 292 Cb -0.15 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.71 1r56 s VAL 292 CO -0.04 0.49 0.02 0.61 0.00 0.00 0.00 175.10 176.19 1r56 n GLY 293 N 3.77 3.82 3.85 4.51 0.00 -1.26 -0.95 105.19 118.94 1r56 n GLY 293 Ca -0.18 -2.24 -0.36 0.00 0.00 0.00 0.00 46.02 43.24 1r56 n GLY 293 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r56 s ARG 294 N -2.50 3.83 0.00 1.61 0.52 -1.25 -5.02 118.95 116.14 1r56 s ARG 294 Ca 0.02 0.29 0.00 0.00 -0.52 0.00 0.00 55.73 55.52 1r56 s ARG 294 Cb -0.00 -3.11 0.00 0.00 0.52 0.00 0.00 34.95 32.36 1r56 s ARG 294 CO 0.01 0.63 0.15 0.43 0.02 0.00 0.00 175.30 176.53