#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hwt s LYS 56 N 0.00 1.76 -0.09 5.56 1.02 -1.26 -5.02 119.74 121.71 1hwt s LYS 56 Ca 0.00 1.64 0.03 0.00 0.02 0.00 0.00 55.97 57.66 1hwt s LYS 56 Cb 0.00 -1.80 0.01 0.00 -0.52 0.00 0.00 37.83 35.51 1hwt s LYS 56 CO 0.00 -2.10 -0.19 1.03 -0.92 0.00 0.00 175.35 173.17 1hwt s ARG 57 N -4.25 2.56 -1.20 1.68 0.52 -1.26 -5.04 118.95 111.96 1hwt s ARG 57 Ca 0.71 -0.71 -0.20 0.00 -0.52 0.00 0.00 55.73 55.01 1hwt s ARG 57 Cb -0.26 -2.00 0.02 0.00 0.52 0.00 0.00 34.95 33.23 1hwt s ARG 57 CO 0.51 0.10 1.76 1.21 0.02 0.00 0.00 175.30 178.90 1hwt s ASN 58 N 0.53 6.20 -0.33 0.23 2.47 -1.26 -4.90 114.94 117.88 1hwt s ASN 58 Ca -0.16 -1.98 -0.07 0.00 0.42 0.00 0.00 52.86 51.07 1hwt s ASN 58 Cb -0.17 -2.58 0.03 0.00 -1.45 0.00 0.00 41.25 37.08 1hwt s ASN 58 CO 0.06 -1.83 0.12 -0.60 -3.72 0.00 0.00 177.10 171.13 1hwt s ARG 59 N 5.11 2.78 -0.16 0.43 3.52 -1.26 -5.02 118.95 124.35 1hwt s ARG 59 Ca 0.58 -1.08 -0.11 0.00 -0.13 0.00 0.00 55.73 54.99 1hwt s ARG 59 Cb 0.01 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.87 1hwt s ARG 59 CO 0.06 -0.61 0.21 0.42 -0.81 0.00 0.00 175.30 174.57 1hwt s ILE 60 N 1.46 5.36 0.34 4.11 1.01 -1.26 -5.06 121.20 127.16 1hwt s ILE 60 Ca 0.00 0.38 -0.28 0.00 0.00 0.00 0.00 60.65 60.75 1hwt s ILE 60 Cb -0.19 -3.54 -0.12 0.00 0.01 0.00 0.00 42.46 38.62 1hwt s ILE 60 CO 0.03 0.45 1.32 -0.81 0.00 0.00 0.00 174.94 175.94 1hwt n PRO 61 N 3.25 2.19 0.02 2.79 -0.04 -1.26 -4.92 135.00 137.03 1hwt n PRO 61 Ca -0.15 0.77 0.11 0.00 -0.04 0.00 0.00 63.50 64.20 1hwt n PRO 61 Cb 0.52 -2.37 0.10 0.00 -0.04 0.00 0.00 33.50 31.71 1hwt n PRO 61 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1hwt n LEU 62 N 0.83 0.63 -4.84 1.53 4.77 -1.26 -4.56 117.00 114.10 1hwt n LEU 62 Ca 0.05 -0.04 -0.31 0.00 -0.03 0.00 0.00 56.01 55.68 1hwt n LEU 62 Cb 0.36 -0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1hwt n LEU 62 CO 0.62 0.08 0.72 -0.44 -1.33 0.00 0.00 177.39 177.04 1hwt s SER 63 N -3.54 5.57 0.47 -1.43 0.01 -1.26 -4.94 113.70 108.58 1hwt s SER 63 Ca 0.07 1.51 -0.20 0.00 1.31 0.00 0.00 55.95 58.63 1hwt s SER 63 Cb 0.15 -2.42 -0.09 0.00 0.21 0.00 0.00 66.02 63.87 1hwt s SER 63 CO 0.77 -1.31 1.01 0.00 0.41 0.00 0.00 173.24 174.12 1hwt h THR 65 N 1.64 0.50 -0.09 0.00 1.35 -1.86 -1.53 112.91 112.92 1hwt h THR 65 Ca -0.49 -0.17 -0.04 0.00 -0.55 0.00 0.00 66.41 65.16 1hwt h THR 65 Cb 1.21 -0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1hwt h THR 65 CO 0.60 0.09 -0.09 0.40 -0.25 0.00 0.00 175.52 176.26 1hwt h ILE 66 N 0.49 1.37 -0.91 6.82 1.08 -1.88 0.34 117.51 124.81 1hwt h ILE 66 Ca 0.64 -1.26 0.01 0.00 -0.39 0.00 0.00 64.86 63.86 1hwt h ILE 66 Cb 1.39 2.00 -0.05 0.00 -3.07 0.00 0.00 36.82 37.10 1hwt h ILE 66 CO -0.42 0.35 0.60 0.00 -0.69 0.00 0.00 178.15 178.00 1hwt h ARG 68 N 1.23 0.67 -0.27 0.00 2.43 -1.18 1.28 114.38 118.55 1hwt h ARG 68 Ca 0.34 -0.20 -0.13 0.00 -0.81 0.00 0.00 59.98 59.18 1hwt h ARG 68 Cb -0.13 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 1hwt h ARG 68 CO -0.08 0.75 -0.36 0.87 -1.51 0.00 0.00 179.97 179.65 1hwt h LYS 69 N 0.50 0.59 0.00 0.20 1.57 -0.40 -2.86 116.57 116.18 1hwt h LYS 69 Ca 0.11 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1hwt h LYS 69 Cb 0.43 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1hwt h LYS 69 CO 0.02 0.87 -0.49 0.00 -0.57 0.00 0.00 179.45 179.27 1hwt h ARG 70 N 0.50 0.00 -4.76 3.15 -0.00 -0.36 -3.48 114.38 109.42 1hwt h ARG 70 Ca 0.05 0.00 -0.28 0.00 -0.50 0.00 0.00 59.98 59.25 1hwt h ARG 70 Cb 0.85 0.00 0.12 0.00 0.00 0.00 0.00 29.97 30.94 1hwt h ARG 70 CO 0.07 0.00 -0.56 1.63 0.00 0.00 0.00 179.97 181.12 1hwt n LYS 71 N -2.50 -5.63 -4.26 0.04 5.02 0.43 -5.03 118.16 106.22 1hwt n LYS 71 Ca 0.03 0.64 -0.29 0.00 -2.02 0.00 0.00 58.31 56.68 1hwt n LYS 71 Cb 0.49 -5.09 -0.04 0.00 -0.02 0.00 0.00 35.03 30.36 1hwt n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1hwt s VAL 72 N -3.26 1.55 -0.00 -0.18 -7.23 -0.21 -5.02 120.40 106.05 1hwt s VAL 72 Ca 0.23 -1.72 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 1hwt s VAL 72 Cb -0.10 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 1hwt s VAL 72 CO 0.56 0.00 1.11 -0.75 -0.31 0.00 0.00 175.10 175.71 1hwt s LYS 73 N -4.07 4.45 -0.19 4.82 2.20 -1.26 -4.71 119.74 120.98 1hwt s LYS 73 Ca 0.24 1.60 -0.05 0.00 -0.36 0.00 0.00 55.97 57.40 1hwt s LYS 73 Cb 0.00 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 1hwt s LYS 73 CO 0.14 -0.25 -0.00 0.00 -0.36 0.00 0.00 175.35 174.89 1hwt h ASP 75 N 7.18 0.00 0.00 0.00 2.03 -1.97 -3.48 116.42 120.19 1hwt h ASP 75 Ca -0.35 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 1hwt h ASP 75 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1hwt h ASP 75 CO 0.62 0.21 0.00 0.29 -1.03 0.00 0.00 179.24 179.33 1hwt n LYS 76 N -3.11 -0.08 -1.58 4.15 5.02 -1.26 -5.01 118.16 116.29 1hwt n LYS 76 Ca 0.03 0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 1hwt n LYS 76 Cb 0.62 -2.98 0.01 0.00 -0.02 0.00 0.00 35.03 32.66 1hwt n LYS 76 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1hwt n LEU 77 N 0.00 1.98 -4.56 -0.35 -0.00 -1.26 -4.89 117.00 107.92 1hwt n LEU 77 Ca 0.00 1.03 -0.31 0.00 -0.00 0.00 0.00 56.01 56.72 1hwt n LEU 77 Cb 0.02 -1.30 -0.11 0.00 -0.00 0.00 0.00 43.42 42.04 1hwt n LEU 77 CO 0.00 -1.76 -0.42 -0.13 -0.00 0.00 0.00 177.39 175.09 1hwt s ARG 78 N -1.87 2.37 0.22 1.96 1.81 -1.26 -2.79 118.95 119.39 1hwt s ARG 78 Ca 0.63 -0.83 0.25 0.00 -1.72 0.00 0.00 55.73 54.05 1hwt s ARG 78 Cb -0.59 -2.39 0.50 0.00 -0.45 0.00 0.00 34.95 32.02 1hwt s ARG 78 CO 0.57 0.57 1.53 -1.00 -0.68 0.00 0.00 175.30 176.30 1hwt h PRO 79 N 4.36 0.00 -5.22 3.54 0.13 -1.97 -3.48 132.00 129.37 1hwt h PRO 79 Ca -0.48 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.08 1hwt h PRO 79 Cb 1.16 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.98 1hwt h PRO 79 CO 0.52 0.00 -0.84 -1.01 -0.23 0.00 0.00 178.00 176.44 1hwt s HIS 80 N -3.17 1.75 0.57 1.56 3.76 -1.23 -4.57 115.29 113.96 1hwt s HIS 80 Ca 0.08 -0.54 -0.15 0.00 -0.15 0.00 0.00 55.06 54.30 1hwt s HIS 80 Cb 0.11 -1.19 -0.05 0.00 1.11 0.00 0.00 32.58 32.56 1hwt s HIS 80 CO 0.67 -0.20 1.02 0.00 -0.85 0.00 0.00 174.74 175.38 1hwt h GLN 82 N 0.45 0.00 -0.16 0.00 1.08 -1.96 -1.25 115.11 113.27 1hwt h GLN 82 Ca -0.46 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 56.70 1hwt h GLN 82 Cb 1.20 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.62 1hwt h GLN 82 CO 0.60 0.09 -0.06 0.37 -0.95 0.00 0.00 178.83 178.88 1hwt h GLN 83 N 0.00 0.32 -0.50 1.46 5.75 -1.93 0.15 115.11 120.36 1hwt h GLN 83 Ca -0.00 -0.13 -0.11 0.00 -0.15 0.00 0.00 58.65 58.26 1hwt h GLN 83 Cb 0.22 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1hwt h GLN 83 CO 0.01 0.62 -0.11 0.00 -2.65 0.00 0.00 178.83 176.70 1hwt h THR 85 N 0.82 1.19 0.00 0.00 2.02 -1.21 0.77 112.91 116.50 1hwt h THR 85 Ca 0.13 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1hwt h THR 85 Cb 0.67 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 1hwt h THR 85 CO 0.05 0.17 -0.03 0.11 0.37 0.00 0.00 175.52 176.19 1hwt h LYS 86 N -0.01 0.00 -0.42 6.66 6.56 -0.62 -2.42 116.57 126.32 1hwt h LYS 86 Ca 0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1hwt h LYS 86 Cb 0.24 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1hwt h LYS 86 CO -0.00 0.03 0.00 0.25 -2.06 0.00 0.00 179.45 177.67 1hwt n THR 87 N -3.99 2.03 -1.67 -0.16 -2.24 -0.64 -5.00 114.28 102.61 1hwt n THR 87 Ca -0.03 -1.49 -0.07 0.00 -2.27 0.00 0.00 64.05 60.19 1hwt n THR 87 Cb 0.12 -0.03 -0.02 0.00 -2.10 0.00 0.00 70.33 68.30 1hwt n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1hwt n GLY 88 N 0.24 0.50 1.29 3.38 0.00 -0.70 -4.93 105.19 104.97 1hwt n GLY 88 Ca 0.22 -0.66 0.04 0.00 0.00 0.00 0.00 46.02 45.62 1hwt n GLY 88 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1hwt n VAL 89 N -3.40 0.47 -0.39 1.61 0.24 0.18 -4.96 118.33 112.08 1hwt n VAL 89 Ca -0.08 -1.47 -0.08 0.00 -2.04 0.00 0.00 64.34 60.68 1hwt n VAL 89 Cb 0.40 0.73 -0.05 0.00 -1.47 0.00 0.00 33.84 33.44 1hwt n VAL 89 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1hwt n ALA 90 N 0.15 -0.46 1.40 2.33 0.00 -1.07 -0.34 120.51 122.52 1hwt n ALA 90 Ca 0.09 0.87 0.03 0.00 0.00 0.00 0.00 53.44 54.42 1hwt n ALA 90 Cb 1.05 -0.23 0.17 0.00 0.00 0.00 0.00 19.45 20.44 1hwt n ALA 90 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hwt n HIS 91 N -5.27 0.00 1.00 0.00 8.25 -1.26 -1.18 115.22 116.76 1hwt n HIS 91 Ca 0.04 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.61 1hwt n HIS 91 Cb 0.29 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.32 1hwt n HIS 91 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1hwt n LEU 92 N -0.63 1.20 -4.69 2.41 4.32 0.54 -4.94 117.00 115.22 1hwt n LEU 92 Ca 0.04 -0.54 -0.42 0.00 -0.02 0.00 0.00 56.01 55.07 1hwt n LEU 92 Cb 0.02 -0.01 -0.03 0.00 -1.62 0.00 0.00 43.42 41.79 1hwt n LEU 92 CO 0.03 0.27 0.78 0.00 -1.22 0.00 0.00 177.39 177.26 1hwt s HIS 94 N 1.83 -0.29 0.19 0.00 -3.43 -1.26 -4.67 115.29 107.65 1hwt s HIS 94 Ca 0.50 -0.04 0.11 0.00 -0.80 0.00 0.00 55.06 54.83 1hwt s HIS 94 Cb -0.19 0.55 -0.04 0.00 -1.43 0.00 0.00 32.58 31.46 1hwt s HIS 94 CO 0.20 -0.99 -0.23 0.71 -2.00 0.00 0.00 174.74 172.43 1hwt s TYR 95 N -3.84 2.23 0.38 0.38 1.51 -1.26 -2.45 117.35 114.30 1hwt s TYR 95 Ca 0.07 -0.37 -0.25 0.00 -1.01 0.00 0.00 57.07 55.50 1hwt s TYR 95 Cb -0.02 -1.11 -0.09 0.00 -0.11 0.00 0.00 41.96 40.63 1hwt s TYR 95 CO -0.04 0.47 1.10 -1.64 -1.11 0.00 0.00 175.55 174.33 1hwt s MET 96 N -2.64 4.19 0.16 -0.62 -1.94 -1.26 -4.97 119.30 112.21 1hwt s MET 96 Ca 0.19 1.67 -0.30 0.00 -1.71 0.00 0.00 55.69 55.54 1hwt s MET 96 Cb -0.08 -2.68 -0.08 0.00 2.01 0.00 0.00 34.83 34.00 1hwt s MET 96 CO 0.09 -0.16 1.30 -1.21 -0.01 0.00 0.00 175.02 175.03 1hwt s GLU 97 N -2.27 4.39 -0.10 2.03 0.41 -1.26 -5.01 118.70 116.89 1hwt s GLU 97 Ca 0.56 1.99 -0.11 0.00 -0.41 0.00 0.00 54.97 57.00 1hwt s GLU 97 Cb -0.27 -3.23 -0.05 0.00 -1.78 0.00 0.00 34.13 28.80 1hwt s GLU 97 CO 0.33 -0.27 0.25 -0.65 -0.49 0.00 0.00 175.26 174.44 1hwt s GLN 98 N 0.33 3.84 0.21 1.61 -1.52 -1.26 -5.00 119.66 117.87 1hwt s GLN 98 Ca 0.58 0.08 -0.09 0.00 -1.95 0.00 0.00 55.36 53.98 1hwt s GLN 98 Cb -0.35 -3.28 0.24 0.00 -0.22 0.00 0.00 33.01 29.41 1hwt s GLN 98 CO 0.35 0.58 1.82 1.15 -0.25 0.00 0.00 175.29 178.94 1hwt h THR 99 N 4.13 1.00 -0.04 -0.19 2.02 -1.95 -0.89 112.91 117.00 1hwt h THR 99 Ca -0.49 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.42 1hwt h THR 99 Cb 1.20 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1hwt h THR 99 CO 0.65 0.14 0.00 -2.67 0.37 0.00 0.00 175.52 174.01 1hwt n TRP 100 N -4.74 0.05 -0.01 3.16 4.27 -1.26 -3.22 117.44 115.69 1hwt n TRP 100 Ca 0.09 -0.02 0.04 0.00 -3.89 0.00 0.00 57.50 53.71 1hwt n TRP 100 Cb 0.16 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.02 1hwt n TRP 100 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1hwt n ALA 101 N -0.54 2.30 -0.36 -1.67 0.00 -0.42 -4.70 120.51 115.11 1hwt n ALA 101 Ca 0.14 -0.34 0.03 0.00 0.00 0.00 0.00 53.44 53.28 1hwt n ALA 101 Cb 0.12 -0.31 0.10 0.00 0.00 0.00 0.00 19.45 19.36 1hwt n ALA 101 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1hwt n GLU 102 N -1.97 -0.14 -0.08 0.00 0.00 -0.72 -0.65 120.64 117.08 1hwt n GLU 102 Ca -0.05 1.53 -0.11 0.00 0.00 0.00 0.00 57.16 58.53 1hwt n GLU 102 Cb 0.38 -2.27 -0.04 0.00 0.00 0.00 0.00 31.44 29.51 1hwt n GLU 102 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1hwt h GLU 103 N 0.00 0.38 0.00 5.31 3.07 -1.84 0.77 114.58 122.27 1hwt h GLU 103 Ca 0.42 -0.09 -0.04 0.00 -0.50 0.00 0.00 59.36 59.16 1hwt h GLU 103 Cb 0.67 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 1hwt h GLU 103 CO -1.00 0.47 -0.18 0.00 -1.40 0.00 0.00 179.01 176.90 1hwt h ALA 104 N 0.89 1.50 0.01 3.43 0.00 -1.42 -1.98 119.26 121.70 1hwt h ALA 104 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1hwt h ALA 104 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1hwt h ALA 104 CO -0.00 0.23 -0.01 1.49 0.00 0.00 0.00 179.25 180.96 1hwt h GLU 105 N 0.00 -0.01 -0.92 0.00 4.57 -0.51 -2.29 114.58 115.42 1hwt h GLU 105 Ca -0.00 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.37 1hwt h GLU 105 Cb 0.36 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 28.85 1hwt h GLU 105 CO 0.02 0.70 0.48 -0.22 -1.18 0.00 0.00 179.01 178.82 1hwt h LYS 106 N -0.76 0.55 0.23 1.92 3.64 -0.58 -1.05 116.57 120.52 1hwt h LYS 106 Ca -0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1hwt h LYS 106 Cb 0.73 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1hwt h LYS 106 CO 0.00 0.36 -0.11 0.93 -2.27 0.00 0.00 179.45 178.37 1hwt h GLU 107 N 0.57 -0.30 -0.49 1.90 5.08 -1.39 -1.51 114.58 118.44 1hwt h GLU 107 Ca 0.55 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 59.01 1hwt h GLU 107 Cb 0.93 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 30.18 1hwt h GLU 107 CO -0.44 0.05 0.09 1.25 -1.00 0.00 0.00 179.01 178.96 1hwt h LEU 108 N -0.72 -0.01 -0.71 1.33 5.85 -0.87 -0.07 115.31 120.11 1hwt h LEU 108 Ca -0.03 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1hwt h LEU 108 Cb 0.49 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 1hwt h LEU 108 CO 0.05 0.02 0.28 -0.07 -0.34 0.00 0.00 178.44 178.39 1hwt h LEU 109 N 0.23 0.98 -0.82 2.25 4.07 -1.26 -1.63 115.31 119.12 1hwt h LEU 109 Ca 0.24 -0.17 -0.07 0.00 0.08 0.00 0.00 57.88 57.96 1hwt h LEU 109 Cb 0.33 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.79 1hwt h LEU 109 CO -0.32 0.89 0.07 0.50 -1.08 0.00 0.00 178.44 178.49 1hwt h LYS 110 N 1.01 0.95 -0.63 1.13 3.64 -0.68 0.22 116.57 122.21 1hwt h LYS 110 Ca 0.24 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 1hwt h LYS 110 Cb 0.21 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1hwt h LYS 110 CO -0.02 0.90 0.06 -0.44 -2.27 0.00 0.00 179.45 177.67 1hwt h ASP 111 N 0.89 1.04 -0.58 4.20 3.32 -0.69 -1.73 116.42 122.87 1hwt h ASP 111 Ca 0.18 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.86 1hwt h ASP 111 Cb 0.43 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1hwt h ASP 111 CO 0.01 1.06 0.02 -1.13 -1.72 0.00 0.00 179.24 177.49 1hwt h ASN 112 N 0.98 1.00 -0.50 6.45 -0.73 -0.83 -2.18 115.58 119.76 1hwt h ASN 112 Ca 0.18 -0.27 -0.11 0.00 1.87 0.00 0.00 56.30 57.97 1hwt h ASN 112 Cb 0.49 -0.27 -0.02 0.00 0.27 0.00 0.00 38.32 38.80 1hwt h ASN 112 CO 0.02 1.04 -0.11 -0.08 -0.37 0.00 0.00 177.43 177.93 1hwt h GLU 113 N 0.95 0.99 -0.40 6.67 4.81 -0.67 -0.32 114.58 126.60 1hwt h GLU 113 Ca 0.17 -0.36 -0.08 0.00 -0.13 0.00 0.00 59.36 58.96 1hwt h GLU 113 Cb 0.52 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1hwt h GLU 113 CO 0.03 1.04 -0.06 -0.07 -0.73 0.00 0.00 179.01 179.22 1hwt h LEU 114 N 0.88 0.75 0.03 1.64 4.07 -1.23 0.17 115.31 121.61 1hwt h LEU 114 Ca 0.14 -0.34 0.02 0.00 0.08 0.00 0.00 57.88 57.77 1hwt h LEU 114 Cb 0.67 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 1hwt h LEU 114 CO 0.05 0.91 -0.13 0.50 -1.08 0.00 0.00 178.44 178.70 1hwt h LYS 115 N 0.57 -0.22 -0.14 1.13 3.11 -1.19 -0.74 116.57 119.09 1hwt h LYS 115 Ca 0.11 0.01 -0.21 0.00 -2.81 0.00 0.00 60.65 57.75 1hwt h LYS 115 Cb 0.56 0.05 0.01 0.00 -1.00 0.00 0.00 32.23 31.85 1hwt h LYS 115 CO 0.03 -0.14 -0.75 0.87 -2.81 0.00 0.00 179.45 176.65 1hwt h LYS 116 N -0.22 0.70 -0.43 1.90 1.79 -1.00 -2.51 116.57 116.79 1hwt h LYS 116 Ca 0.04 -0.56 -0.02 0.00 -2.18 0.00 0.00 60.65 57.92 1hwt h LYS 116 Cb 0.27 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 1hwt h LYS 116 CO -0.11 1.18 0.17 -0.07 -1.08 0.00 0.00 179.45 179.54 1hwt h LEU 117 N 0.48 0.56 -0.30 2.94 3.38 -0.56 -0.74 115.31 121.07 1hwt h LEU 117 Ca -0.04 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.67 1hwt h LEU 117 Cb 1.36 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1hwt h LEU 117 CO 0.15 0.51 -0.73 0.03 0.09 0.00 0.00 178.44 178.49 1hwt h ARG 118 N 0.61 0.61 0.00 1.13 3.08 -1.05 -0.82 114.38 117.94 1hwt h ARG 118 Ca 0.15 -0.48 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 1hwt h ARG 118 Cb 0.13 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1hwt h ARG 118 CO -0.01 1.10 -0.29 0.93 -1.07 0.00 0.00 179.97 180.63 1hwt h GLU 119 N 0.43 0.00 -0.13 0.04 5.08 -0.98 -1.38 114.58 117.63 1hwt h GLU 119 Ca -0.03 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.11 1hwt h GLU 119 Cb 1.32 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.59 1hwt h GLU 119 CO 0.14 0.29 -0.75 -0.09 -1.00 0.00 0.00 179.01 177.60 1hwt h ARG 120 N 0.00 0.74 -0.30 2.33 9.65 -0.85 0.78 114.38 126.73 1hwt h ARG 120 Ca -0.00 -0.62 -0.03 0.00 -1.10 0.00 0.00 59.98 58.22 1hwt h ARG 120 Cb 0.51 0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.21 1hwt h ARG 120 CO 0.04 1.23 0.06 0.28 2.80 0.00 0.00 179.97 184.37 1hwt h VAL 121 N 0.45 1.23 -0.82 0.20 2.07 -0.84 0.16 116.25 118.70 1hwt h VAL 121 Ca -0.06 -0.78 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1hwt h VAL 121 Cb 1.39 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.27 1hwt h VAL 121 CO 0.15 0.26 0.45 0.50 0.02 0.00 0.00 177.57 178.95 1hwt h LYS 122 N 0.33 1.15 -0.30 1.57 3.64 -1.25 -0.26 116.57 121.44 1hwt h LYS 122 Ca 0.09 -0.14 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1hwt h LYS 122 Cb 0.33 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1hwt h LYS 122 CO 0.00 0.85 -0.22 1.03 -2.27 0.00 0.00 179.45 178.84 1hwt h SER 123 N 1.14 0.71 0.42 4.20 0.87 -0.53 0.18 113.55 120.54 1hwt h SER 123 Ca 0.29 -0.44 -0.02 0.00 -1.23 0.00 0.00 61.79 60.39 1hwt h SER 123 Cb 0.04 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 1hwt h SER 123 CO -0.05 1.00 -0.20 -0.07 -0.53 0.00 0.00 176.83 176.98 1hwt h LEU 124 N 0.43 -0.48 -0.20 2.23 3.38 -0.51 -2.90 115.31 117.26 1hwt h LEU 124 Ca 0.06 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.00 1hwt h LEU 124 Cb 0.77 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 1hwt h LEU 124 CO 0.06 -0.19 -0.22 -0.33 0.09 0.00 0.00 178.44 177.85 1hwt h GLU 125 N -0.77 -0.23 -1.28 1.13 5.08 -1.07 0.17 114.58 117.62 1hwt h GLU 125 Ca -0.06 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1hwt h GLU 125 Cb 0.53 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.83 1hwt h GLU 125 CO 0.09 -0.15 0.00 1.63 -1.00 0.00 0.00 179.01 179.58 1hwt n LYS 126 N -5.36 0.36 0.03 2.33 4.01 0.61 -2.70 118.16 117.44 1hwt n LYS 126 Ca -0.01 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.79 1hwt n LYS 126 Cb 0.27 -1.28 0.00 0.00 -0.51 0.00 0.00 35.03 33.51 1hwt n LYS 126 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1hwt n THR 127 N 0.68 0.08 1.51 -0.18 -1.04 0.55 -4.94 114.28 110.94 1hwt n THR 127 Ca 0.00 0.03 0.14 0.00 -2.04 0.00 0.00 64.05 62.18 1hwt n THR 127 Cb 0.15 -0.78 0.54 0.00 -1.82 0.00 0.00 70.33 68.42 1hwt n THR 127 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43