#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgh s TYR 105 N 0.00 3.02 -0.07 1.12 1.51 -0.11 -4.93 117.35 117.88 2hgh s TYR 105 Ca 0.00 -0.56 0.01 0.00 -1.01 0.00 0.00 57.07 55.50 2hgh s TYR 105 Cb 0.00 -2.10 -0.03 0.00 -0.11 0.00 0.00 41.96 39.72 2hgh s TYR 105 CO 0.00 -0.32 -0.08 0.08 -1.11 0.00 0.00 175.55 174.12 2hgh s VAL 106 N 1.17 3.62 -0.01 0.71 1.01 -1.26 -0.24 120.40 125.39 2hgh s VAL 106 Ca 0.03 -0.51 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 2hgh s VAL 106 Cb -0.14 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 2hgh s VAL 106 CO 0.01 0.59 1.08 0.00 0.00 0.00 0.00 175.10 176.78 2hgh n HIS 108 N 4.32 1.21 -1.32 0.00 8.25 -1.26 -2.51 115.22 123.91 2hgh n HIS 108 Ca 0.08 -1.20 -0.34 0.00 -0.26 0.00 0.00 57.72 56.00 2hgh n HIS 108 Cb 0.49 -0.44 0.11 0.00 1.12 0.00 0.00 29.99 31.26 2hgh n HIS 108 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2hgh s PHE 109 N -3.01 1.96 -0.16 4.41 2.19 -1.26 -4.83 117.98 117.27 2hgh s PHE 109 Ca 0.45 1.62 -0.32 0.00 0.33 0.00 0.00 56.93 59.01 2hgh s PHE 109 Cb 0.38 -3.48 -0.09 0.00 -1.31 0.00 0.00 43.02 38.52 2hgh s PHE 109 CO 0.06 -2.71 2.07 0.39 1.83 0.00 0.00 175.22 176.86 2hgh n GLU 110 N -2.92 2.01 -1.16 10.12 1.02 -1.26 -1.42 120.64 127.03 2hgh n GLU 110 Ca 0.13 0.65 -0.06 0.00 -0.02 0.00 0.00 57.16 57.87 2hgh n GLU 110 Cb 0.50 -2.87 -0.02 0.00 -0.02 0.00 0.00 31.44 29.03 2hgh n GLU 110 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2hgh n ASN 111 N 9.12 -4.42 0.00 1.62 5.15 -1.26 -4.94 115.26 120.53 2hgh n ASN 111 Ca 0.28 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.40 2hgh n ASN 111 Cb 0.35 -2.41 0.00 0.00 -0.53 0.00 0.00 39.78 37.20 2hgh n ASN 111 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2hgh n GLY 113 N 2.42 0.55 3.77 0.00 0.00 -1.04 -5.01 105.19 105.87 2hgh n GLY 113 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 2hgh n GLY 113 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2hgh s LYS 114 N -1.38 4.11 -0.04 1.61 2.20 -1.25 -4.77 119.74 120.21 2hgh s LYS 114 Ca 0.00 1.92 0.06 0.00 -0.36 0.00 0.00 55.97 57.59 2hgh s LYS 114 Cb 0.00 -2.76 -0.01 0.00 -1.51 0.00 0.00 37.83 33.55 2hgh s LYS 114 CO 0.00 -0.30 -0.22 0.00 -0.36 0.00 0.00 175.35 174.47 2hgh s ALA 115 N -1.35 1.86 0.16 3.13 0.00 -1.26 -0.24 121.76 124.07 2hgh s ALA 115 Ca 0.55 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.68 2hgh s ALA 115 Cb -0.33 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.20 2hgh s ALA 115 CO 0.42 0.39 -0.17 -0.06 0.00 0.00 0.00 175.76 176.34 2hgh s PHE 116 N -0.23 1.71 0.19 0.00 0.40 0.67 -4.98 117.98 115.75 2hgh s PHE 116 Ca 0.01 -0.51 -0.09 0.00 -0.60 0.00 0.00 56.93 55.74 2hgh s PHE 116 Cb -0.11 -0.85 0.10 0.00 0.51 0.00 0.00 43.02 42.67 2hgh s PHE 116 CO 0.02 0.30 1.71 -0.22 0.70 0.00 0.00 175.22 177.72 2hgh h LYS 117 N 3.18 1.10 -4.78 0.44 3.64 -1.97 -0.27 116.57 117.92 2hgh h LYS 117 Ca -0.41 -0.27 -0.33 0.00 -1.27 0.00 0.00 60.65 58.37 2hgh h LYS 117 Cb 1.21 -0.14 -0.23 0.00 -0.41 0.00 0.00 32.23 32.66 2hgh h LYS 117 CO 0.53 0.98 -0.75 0.15 -2.27 0.00 0.00 179.45 178.09 2hgh s LYS 118 N -5.30 0.63 0.51 1.90 -0.14 -1.26 -4.50 119.74 111.57 2hgh s LYS 118 Ca -0.12 -0.72 0.19 0.00 -1.36 0.00 0.00 55.97 53.96 2hgh s LYS 118 Cb 0.14 -0.50 1.29 0.00 -1.68 0.00 0.00 37.83 37.08 2hgh s LYS 118 CO 0.84 0.11 2.10 1.12 -0.76 0.00 0.00 175.35 178.77 2hgh h HIS 119 N 4.73 0.00 -0.38 3.18 2.07 -1.92 -0.77 115.15 122.06 2hgh h HIS 119 Ca -0.36 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.11 2hgh h HIS 119 Cb 1.20 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.16 2hgh h HIS 119 CO 0.60 0.08 0.03 -0.91 -3.07 0.00 0.00 177.93 174.65 2hgh h ASN 120 N 0.00 0.55 0.07 3.10 2.35 -1.98 0.22 115.58 119.90 2hgh h ASN 120 Ca -0.00 -0.10 -0.19 0.00 -0.55 0.00 0.00 56.30 55.45 2hgh h ASN 120 Cb 0.15 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2hgh h ASN 120 CO 0.01 0.60 -0.72 1.56 -1.65 0.00 0.00 177.43 177.24 2hgh h GLN 121 N 0.57 0.57 -0.26 0.81 4.20 -1.58 -1.11 115.11 118.32 2hgh h GLN 121 Ca 0.12 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 2hgh h GLN 121 Cb 0.32 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2hgh h GLN 121 CO 0.01 1.07 0.14 1.25 -0.67 0.00 0.00 178.83 180.63 2hgh h LEU 122 N 0.40 0.32 -0.94 1.46 5.85 -0.97 -0.48 115.31 120.95 2hgh h LEU 122 Ca -0.03 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.63 2hgh h LEU 122 Cb 1.31 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 2hgh h LEU 122 CO 0.13 0.32 0.61 0.50 -0.34 0.00 0.00 178.44 179.67 2hgh h LYS 123 N 0.30 1.16 -0.88 1.25 3.64 -0.53 -0.79 116.57 120.72 2hgh h LYS 123 Ca 0.09 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2hgh h LYS 123 Cb 0.07 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 31.59 2hgh h LYS 123 CO -0.01 0.76 0.57 0.28 -2.27 0.00 0.00 179.45 178.79 2hgh h VAL 124 N 1.19 1.23 -0.21 2.00 2.07 -0.82 -2.28 116.25 119.43 2hgh h VAL 124 Ca 0.37 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 2hgh h VAL 124 Cb -0.00 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.71 2hgh h VAL 124 CO -0.12 0.22 -0.16 -0.74 0.02 0.00 0.00 177.57 176.80 2hgh h HIS 125 N 1.20 0.57 -0.11 1.57 -0.00 -0.13 -3.20 115.15 115.04 2hgh h HIS 125 Ca 0.32 -0.16 -0.07 0.00 -0.00 0.00 0.00 60.37 60.47 2hgh h HIS 125 Cb -0.12 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 2hgh h HIS 125 CO -0.01 0.80 -0.24 1.96 -0.00 0.00 0.00 177.93 180.45 2hgh h GLN 126 N 0.17 0.19 -0.45 5.26 4.20 -1.05 -1.50 115.11 121.94 2hgh h GLN 126 Ca 0.04 -0.06 0.13 0.00 0.06 0.00 0.00 58.65 58.82 2hgh h GLN 126 Cb 0.68 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 2hgh h GLN 126 CO 0.04 0.42 0.35 0.27 -0.67 0.00 0.00 178.83 179.25 2hgh h PHE 127 N 0.17 0.00 -0.16 2.96 -5.15 -1.40 -0.70 116.94 112.67 2hgh h PHE 127 Ca 0.03 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.76 2hgh h PHE 127 Cb 0.52 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.69 2hgh h PHE 127 CO 0.01 0.00 -0.06 1.03 -2.00 0.00 0.00 178.31 177.29 2hgh h SER 128 N 0.00 0.33 -0.39 -0.68 0.87 -1.35 0.26 113.55 112.59 2hgh h SER 128 Ca 0.21 -0.39 -0.06 0.00 -1.23 0.00 0.00 61.79 60.32 2hgh h SER 128 Cb 0.91 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 2hgh h SER 128 CO -0.00 0.65 0.05 0.45 -0.53 0.00 0.00 176.83 177.45 2hgh h HIS 129 N 0.01 0.77 0.00 2.24 3.86 -1.24 -2.44 115.15 118.36 2hgh h HIS 129 Ca 0.04 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2hgh h HIS 129 Cb 0.51 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2hgh h HIS 129 CO 0.06 0.69 -0.21 1.79 0.86 0.00 0.00 177.93 181.12 2hgh h THR 130 N 0.71 0.00 -3.63 2.45 1.35 -1.16 -3.48 112.91 109.15 2hgh h THR 130 Ca 0.15 -0.86 -0.34 0.00 -0.55 0.00 0.00 66.41 64.81 2hgh h THR 130 Cb 0.36 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.51 2hgh h THR 130 CO 0.01 0.00 -0.45 1.67 -0.25 0.00 0.00 175.52 176.50 2hgh n GLN 131 N -2.79 -2.32 -4.25 4.72 -0.06 0.90 -5.00 117.38 108.58 2hgh n GLN 131 Ca 0.04 0.80 -0.17 0.00 -2.00 0.00 0.00 57.00 55.66 2hgh n GLN 131 Cb 0.51 -5.46 -0.11 0.00 -4.06 0.00 0.00 30.24 21.12 2hgh n GLN 131 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 2hgh s GLN 132 N -5.16 1.06 -0.13 3.69 1.03 -1.05 -5.04 119.66 114.07 2hgh s GLN 132 Ca 0.05 -1.30 -0.14 0.00 0.04 0.00 0.00 55.36 54.01 2hgh s GLN 132 Cb -0.02 -0.88 -0.05 0.00 0.03 0.00 0.00 33.01 32.08 2hgh s GLN 132 CO 0.06 0.16 0.32 -0.51 -2.54 0.00 0.00 175.29 172.78 2hgh s LEU 133 N -2.64 4.30 0.08 2.60 1.43 -1.26 -4.60 118.68 118.59 2hgh s LEU 133 Ca 0.11 0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 53.75 2hgh s LEU 133 Cb -0.03 -2.41 -0.25 0.00 0.03 0.00 0.00 46.19 43.53 2hgh s LEU 133 CO 0.03 0.15 1.16 1.55 0.23 0.00 0.00 176.35 179.47 2hgh h PRO 134 N 6.23 0.39 -4.00 1.29 0.13 -1.87 -3.43 132.00 130.74 2hgh h PRO 134 Ca -0.44 -0.57 -0.77 0.00 -0.87 0.00 0.00 66.00 63.35 2hgh h PRO 134 Cb 1.18 0.20 -0.25 0.00 0.13 0.00 0.00 31.00 32.26 2hgh h PRO 134 CO 0.72 1.24 0.01 0.71 -0.23 0.00 0.00 178.00 180.45 2hgh s TYR 135 N -2.84 3.53 -0.07 1.56 2.02 -1.11 -4.99 117.35 115.45 2hgh s TYR 135 Ca -0.06 -1.68 -0.10 0.00 -0.37 0.00 0.00 57.07 54.86 2hgh s TYR 135 Cb 0.07 -3.84 -0.05 0.00 -0.40 0.00 0.00 41.96 37.75 2hgh s TYR 135 CO 0.90 -1.03 0.25 -2.00 -1.57 0.00 0.00 175.55 172.10 2hgh s GLU 136 N 0.87 3.67 -0.13 -0.62 2.12 -1.26 -0.09 118.70 123.26 2hgh s GLU 136 Ca 0.13 0.10 -0.29 0.00 0.36 0.00 0.00 54.97 55.26 2hgh s GLU 136 Cb -0.18 -3.21 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 2hgh s GLU 136 CO -0.04 0.72 1.31 0.00 -0.54 0.00 0.00 175.26 176.71 2hgh n PRO 138 N 6.42 1.87 -2.22 0.00 -0.04 -1.26 -4.58 135.00 135.19 2hgh n PRO 138 Ca 0.14 -1.31 -0.36 0.00 -0.04 0.00 0.00 63.50 61.92 2hgh n PRO 138 Cb 0.45 -1.42 -0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2hgh n PRO 138 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2hgh s HIS 139 N -1.75 2.77 0.12 0.54 3.76 -1.26 -4.96 115.29 114.51 2hgh s HIS 139 Ca 0.33 1.53 -0.31 0.00 -0.15 0.00 0.00 55.06 56.46 2hgh s HIS 139 Cb 0.18 -3.38 -0.09 0.00 1.11 0.00 0.00 32.58 30.40 2hgh s HIS 139 CO 0.27 -1.62 1.58 -2.00 -0.85 0.00 0.00 174.74 172.12 2hgh s GLU 140 N -2.91 4.22 0.00 1.40 2.12 -1.26 -2.22 118.70 120.05 2hgh s GLU 140 Ca 0.67 2.32 0.00 0.00 0.36 0.00 0.00 54.97 58.32 2hgh s GLU 140 Cb -0.28 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.77 2hgh s GLU 140 CO 0.33 -0.64 0.00 0.41 -0.54 0.00 0.00 175.26 174.82 2hgh n GLY 141 N 3.82 0.80 3.58 -1.50 0.00 -1.26 -5.05 105.19 105.58 2hgh n GLY 141 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2hgh n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgh n ASP 143 N 0.74 0.00 -4.76 0.00 8.00 -1.26 -4.74 116.55 114.53 2hgh n ASP 143 Ca -0.13 -1.24 -0.38 0.00 0.71 0.00 0.00 54.79 53.75 2hgh n ASP 143 Cb 0.52 -0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.58 2hgh n ASP 143 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2hgh s LYS 144 N 0.00 3.58 0.07 -1.24 -0.14 -1.26 -4.86 119.74 115.89 2hgh s LYS 144 Ca 0.00 2.00 0.03 0.00 -1.36 0.00 0.00 55.97 56.64 2hgh s LYS 144 Cb 0.00 -2.42 -0.03 0.00 -1.68 0.00 0.00 37.83 33.70 2hgh s LYS 144 CO 0.00 -0.76 -0.09 1.03 -0.76 0.00 0.00 175.35 174.76 2hgh s ARG 145 N -2.68 0.71 0.10 1.68 0.52 -1.26 -0.80 118.95 117.22 2hgh s ARG 145 Ca 0.65 -0.98 0.03 0.00 -0.52 0.00 0.00 55.73 54.91 2hgh s ARG 145 Cb -0.34 -0.45 -0.04 0.00 0.52 0.00 0.00 34.95 34.64 2hgh s ARG 145 CO 0.42 0.07 -0.08 -0.06 0.02 0.00 0.00 175.30 175.67 2hgh s PHE 146 N -1.94 1.01 -0.04 -0.53 0.08 0.87 -4.99 117.98 112.45 2hgh s PHE 146 Ca -0.01 -0.78 0.12 0.00 0.12 0.00 0.00 56.93 56.38 2hgh s PHE 146 Cb -0.06 -0.55 -0.09 0.00 -0.57 0.00 0.00 43.02 41.74 2hgh s PHE 146 CO 0.00 -0.05 1.22 0.66 -0.10 0.00 0.00 175.22 176.95 2hgh h SER 147 N 3.21 0.00 -4.03 1.36 4.64 -1.97 -2.93 113.55 113.83 2hgh h SER 147 Ca -0.36 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.55 2hgh h SER 147 Cb 1.18 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.09 2hgh h SER 147 CO 0.59 0.74 -0.75 -0.76 -0.87 0.00 0.00 176.83 175.78 2hgh s LEU 148 N -6.42 2.42 0.28 5.97 2.01 -1.26 -4.76 118.68 116.92 2hgh s LEU 148 Ca 0.01 -0.83 0.02 0.00 0.01 0.00 0.00 54.13 53.34 2hgh s LEU 148 Cb 0.09 -0.53 0.40 0.00 0.01 0.00 0.00 46.19 46.16 2hgh s LEU 148 CO 0.79 -0.16 1.72 1.55 1.01 0.00 0.00 176.35 181.25 2hgh h PRO 149 N 3.44 0.50 -0.46 1.29 0.13 -1.94 -2.38 132.00 132.57 2hgh h PRO 149 Ca -0.39 -0.19 -0.03 0.00 -0.87 0.00 0.00 66.00 64.52 2hgh h PRO 149 Cb 1.20 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2hgh h PRO 149 CO 0.52 0.71 0.18 0.66 -0.23 0.00 0.00 178.00 179.83 2hgh h SER 150 N 0.44 0.60 0.02 1.44 4.64 -1.98 0.86 113.55 119.56 2hgh h SER 150 Ca 0.06 -0.07 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 2hgh h SER 150 Cb 0.67 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 2hgh h SER 150 CO 0.05 0.55 -0.71 0.03 -0.87 0.00 0.00 176.83 175.88 2hgh h ARG 151 N 0.66 0.62 -0.19 4.77 3.08 -1.88 -0.21 114.38 121.23 2hgh h ARG 151 Ca 0.16 -0.49 -0.04 0.00 0.07 0.00 0.00 59.98 59.69 2hgh h ARG 151 Cb 0.15 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 2hgh h ARG 151 CO -0.01 1.11 -0.02 1.25 -1.07 0.00 0.00 179.97 181.22 2hgh h LEU 152 N 0.44 0.35 -1.16 3.04 5.85 -1.14 0.30 115.31 122.99 2hgh h LEU 152 Ca -0.03 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.37 2hgh h LEU 152 Cb 1.31 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.20 2hgh h LEU 152 CO 0.14 0.60 0.57 0.11 -0.34 0.00 0.00 178.44 179.52 2hgh h LYS 153 N 0.09 1.10 -0.37 1.25 1.79 -0.78 0.26 116.57 119.91 2hgh h LYS 153 Ca 0.05 -0.07 -0.14 0.00 -2.18 0.00 0.00 60.65 58.31 2hgh h LYS 153 Cb 0.43 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2hgh h LYS 153 CO 0.01 0.73 -0.33 -0.09 -1.08 0.00 0.00 179.45 178.70 2hgh h ARG 154 N 1.14 0.88 -0.39 3.15 2.43 -0.93 -2.80 114.38 117.86 2hgh h ARG 154 Ca 0.33 -0.45 0.01 0.00 -0.81 0.00 0.00 59.98 59.06 2hgh h ARG 154 Cb -0.07 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2hgh h ARG 154 CO -0.08 1.09 0.26 1.25 -1.51 0.00 0.00 179.97 180.98 2hgh h HIS 155 N 0.69 0.48 -0.26 2.20 2.76 -0.28 -2.20 115.15 118.53 2hgh h HIS 155 Ca 0.07 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.29 2hgh h HIS 155 Cb 0.91 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.70 2hgh h HIS 155 CO 0.06 0.30 0.18 1.49 -1.30 0.00 0.00 177.93 178.66 2hgh h GLU 156 N 0.51 0.15 -0.02 5.26 4.81 -0.68 0.05 114.58 124.66 2hgh h GLU 156 Ca 0.14 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.37 2hgh h GLU 156 Cb -0.04 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.30 2hgh h GLU 156 CO -0.03 0.10 0.03 0.87 -0.73 0.00 0.00 179.01 179.24 2hgh h LYS 157 N 0.15 0.00 -0.78 1.92 1.57 -1.44 -1.10 116.57 116.89 2hgh h LYS 157 Ca 0.11 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2hgh h LYS 157 Cb 0.27 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 2hgh h LYS 157 CO -0.02 0.00 0.41 0.28 -0.57 0.00 0.00 179.45 179.55 2hgh h VAL 158 N 0.00 1.24 0.02 0.50 2.07 -1.13 0.20 116.25 119.16 2hgh h VAL 158 Ca 0.01 -0.62 -0.21 0.00 0.82 0.00 0.00 66.70 66.70 2hgh h VAL 158 Cb 0.07 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 2hgh h VAL 158 CO -0.00 0.27 -0.94 0.45 0.02 0.00 0.00 177.57 177.37 2hgh h HIS 159 N 1.09 0.28 0.00 1.57 3.86 -1.36 -3.16 115.15 117.43 2hgh h HIS 159 Ca 0.27 -0.17 -0.10 0.00 -1.16 0.00 0.00 60.37 59.21 2hgh h HIS 159 Cb 0.06 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 2hgh h HIS 159 CO 0.00 1.02 -0.49 0.00 0.86 0.00 0.00 177.93 179.32 2hgh h ALA 160 N 0.93 1.09 0.00 2.45 0.00 -1.03 -3.50 119.26 119.20 2hgh h ALA 160 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2hgh h ALA 160 Cb 1.60 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.31 2hgh h ALA 160 CO 0.14 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.42 2hgh n GLY 161 N 0.05 -0.64 2.88 0.00 0.00 0.69 -4.90 105.19 103.27 2hgh n GLY 161 Ca -0.01 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 2hgh n GLY 161 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hgh s TYR 162 N -1.59 2.86 0.28 1.61 1.51 0.47 -4.85 117.35 117.65 2hgh s TYR 162 Ca 0.00 -2.72 -0.28 0.00 -1.01 0.00 0.00 57.07 53.06 2hgh s TYR 162 Cb 0.00 -2.47 -0.09 0.00 -0.11 0.00 0.00 41.96 39.29 2hgh s TYR 162 CO 0.00 -0.84 0.94 -1.25 -1.11 0.00 0.00 175.55 173.29 2hgh s PRO 163 N 0.54 4.72 0.30 -1.71 0.04 -1.26 -0.86 135.00 136.78 2hgh s PRO 163 Ca 0.14 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 2hgh s PRO 163 Cb -0.22 -3.04 -0.10 0.00 0.04 0.00 0.00 34.50 31.19 2hgh s PRO 163 CO -0.07 0.40 1.18 0.00 0.04 0.00 0.00 177.00 178.55 2hgh n LYS 165 N 0.99 0.03 0.27 0.00 5.02 -1.26 -4.75 118.16 118.47 2hgh n LYS 165 Ca -0.00 -0.60 0.17 0.00 -2.02 0.00 0.00 58.31 55.85 2hgh n LYS 165 Cb 0.44 -0.51 0.70 0.00 -0.02 0.00 0.00 35.03 35.64 2hgh n LYS 165 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2hgh h LYS 166 N 0.00 0.00 -2.81 1.97 1.79 -1.92 -3.44 116.57 112.16 2hgh h LYS 166 Ca 0.00 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.36 2hgh h LYS 166 Cb 1.06 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 31.49 2hgh h LYS 166 CO 0.00 0.04 -0.22 0.34 -1.08 0.00 0.00 179.45 178.53 2hgh s ASP 167 N -5.74 -0.34 0.46 0.86 2.15 -1.26 -5.05 116.67 107.74 2hgh s ASP 167 Ca 0.00 0.48 0.20 0.00 0.43 0.00 0.00 52.55 53.66 2hgh s ASP 167 Cb 0.10 0.57 1.10 0.00 -0.30 0.00 0.00 42.92 44.38 2hgh s ASP 167 CO 0.55 -0.32 1.97 0.44 -0.17 0.00 0.00 175.17 177.63 2hgh h ASP 168 N 4.53 0.00 -0.56 -0.34 3.32 -1.96 -2.57 116.42 118.85 2hgh h ASP 168 Ca -0.28 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 2hgh h ASP 168 Cb 1.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 2hgh h ASP 168 CO 0.33 0.21 0.01 -1.20 -1.72 0.00 0.00 179.24 176.87 2hgh n SER 169 N -3.93 5.52 -4.36 6.45 7.64 -1.26 -4.88 113.62 118.80 2hgh n SER 169 Ca -0.02 -2.90 -0.33 0.00 1.01 0.00 0.00 58.87 56.63 2hgh n SER 169 Cb 0.30 -0.68 -0.14 0.00 -1.01 0.00 0.00 64.21 62.67 2hgh n SER 169 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hgh n SER 171 N 3.48 0.94 -4.77 0.00 7.64 -1.26 -4.76 113.62 114.89 2hgh n SER 171 Ca -0.18 -2.01 -0.40 0.00 1.01 0.00 0.00 58.87 57.28 2hgh n SER 171 Cb 0.53 -0.17 0.01 0.00 -1.01 0.00 0.00 64.21 63.57 2hgh n SER 171 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 2hgh s PHE 172 N -0.88 2.52 -0.11 1.43 2.19 -1.26 -4.81 117.98 117.06 2hgh s PHE 172 Ca 0.08 1.22 0.00 0.00 0.33 0.00 0.00 56.93 58.57 2hgh s PHE 172 Cb 0.07 -3.96 0.02 0.00 -1.31 0.00 0.00 43.02 37.84 2hgh s PHE 172 CO 0.01 -2.95 -0.10 0.08 1.83 0.00 0.00 175.22 174.09 2hgh s VAL 173 N -1.17 1.16 0.01 3.12 1.01 -1.26 -0.48 120.40 122.79 2hgh s VAL 173 Ca 0.57 -0.40 -0.24 0.00 0.00 0.00 0.00 61.98 61.91 2hgh s VAL 173 Cb -0.45 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 2hgh s VAL 173 CO 0.59 0.38 0.73 -0.83 0.00 0.00 0.00 175.10 175.97 2hgh s GLY 174 N 1.42 2.72 0.30 4.51 0.00 -0.03 -4.79 107.32 111.44 2hgh s GLY 174 Ca 0.00 0.21 0.24 0.00 0.00 0.00 0.00 44.72 45.17 2hgh s GLY 174 CO -0.06 1.08 1.72 1.70 0.00 0.00 0.00 173.10 177.55 2hgh h LYS 175 N 6.00 0.00 -3.62 2.90 1.63 -1.89 0.13 116.57 121.72 2hgh h LYS 175 Ca -0.43 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.30 2hgh h LYS 175 Cb 1.20 0.00 -0.13 0.00 -0.60 0.00 0.00 32.23 32.71 2hgh h LYS 175 CO 0.72 0.00 -0.20 0.95 -3.45 0.00 0.00 179.45 177.47 2hgh s THR 176 N -3.42 0.08 0.27 1.00 -4.23 -1.26 -4.67 115.64 103.41 2hgh s THR 176 Ca 0.02 -0.99 -0.02 0.00 -1.18 0.00 0.00 61.69 59.52 2hgh s THR 176 Cb 0.08 -1.47 0.27 0.00 1.34 0.00 0.00 72.50 72.73 2hgh s THR 176 CO 0.34 -0.36 1.89 -0.25 -0.54 0.00 0.00 174.62 175.70 2hgh h TRP 177 N 2.48 1.19 -0.39 3.99 -0.00 -1.94 -2.10 115.95 119.18 2hgh h TRP 177 Ca -0.32 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.62 2hgh h TRP 177 Cb 1.23 -0.39 -0.03 0.00 -0.00 0.00 0.00 29.16 29.97 2hgh h TRP 177 CO 0.38 0.63 0.20 1.79 -0.00 0.00 0.00 178.44 181.44 2hgh h THR 178 N 1.18 0.99 -0.44 2.65 1.35 -1.97 -1.29 112.91 115.38 2hgh h THR 178 Ca 0.42 -0.14 -0.04 0.00 -0.55 0.00 0.00 66.41 66.10 2hgh h THR 178 Cb 0.13 0.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.07 2hgh h THR 178 CO -0.16 0.08 0.12 -0.07 -0.25 0.00 0.00 175.52 175.24 2hgh h LEU 179 N 0.41 0.59 -0.08 3.87 3.38 -1.77 0.18 115.31 121.89 2hgh h LEU 179 Ca 0.17 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 2hgh h LEU 179 Cb 0.06 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2hgh h LEU 179 CO -0.11 0.58 -0.06 0.22 0.09 0.00 0.00 178.44 179.16 2hgh h TYR 180 N 0.63 0.21 -0.88 1.13 3.20 -1.20 -1.00 116.97 119.06 2hgh h TYR 180 Ca 0.15 -0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.96 2hgh h TYR 180 Cb 0.21 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 2hgh h TYR 180 CO 0.01 0.59 0.55 -0.07 -1.64 0.00 0.00 178.16 177.60 2hgh h LEU 181 N -0.24 1.04 -0.45 2.82 3.38 -0.85 0.14 115.31 121.16 2hgh h LEU 181 Ca 0.01 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2hgh h LEU 181 Cb 0.55 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2hgh h LEU 181 CO 0.02 0.79 0.15 0.50 0.09 0.00 0.00 178.44 179.98 2hgh h LYS 182 N 1.21 0.70 -0.76 1.13 3.64 -0.66 -0.62 116.57 121.20 2hgh h LYS 182 Ca 0.32 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.53 2hgh h LYS 182 Cb -0.08 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 2hgh h LYS 182 CO -0.06 0.67 0.40 1.25 -2.27 0.00 0.00 179.45 179.43 2hgh h HIS 183 N 0.59 1.07 -0.38 1.91 2.76 -0.58 -1.23 115.15 119.29 2hgh h HIS 183 Ca 0.15 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 2hgh h HIS 183 Cb 0.26 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 2hgh h HIS 183 CO 0.01 0.76 0.13 0.28 -1.30 0.00 0.00 177.93 177.81 2hgh h VAL 184 N 1.06 1.21 -0.06 5.26 2.07 -0.50 0.33 116.25 125.62 2hgh h VAL 184 Ca 0.26 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 2hgh h VAL 184 Cb 0.07 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2hgh h VAL 184 CO -0.04 0.23 -0.26 0.00 0.02 0.00 0.00 177.57 177.52 2hgh h ALA 185 N 0.97 1.46 0.00 1.67 0.00 -0.86 0.12 119.26 122.62 2hgh h ALA 185 Ca 0.12 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2hgh h ALA 185 Cb 0.24 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2hgh h ALA 185 CO -0.01 0.39 -1.13 1.49 0.00 0.00 0.00 179.25 180.00 2hgh h GLU 186 N 0.09 0.00 0.00 0.00 4.81 -0.87 -3.32 114.58 115.29 2hgh h GLU 186 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2hgh h GLU 186 Cb 0.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2hgh h GLU 186 CO 0.04 0.15 -0.76 0.00 -0.73 0.00 0.00 179.01 177.71 2hgh n HIS 188 N -1.23 0.00 -4.02 0.00 8.25 0.38 -5.04 115.22 113.56 2hgh n HIS 188 Ca 0.00 -0.19 -0.12 0.00 -0.26 0.00 0.00 57.72 57.15 2hgh n HIS 188 Cb 0.00 -0.05 -0.03 0.00 1.12 0.00 0.00 29.99 31.02 2hgh n HIS 188 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2hgh s GLN 189 N -0.52 1.88 0.00 -0.41 0.74 -0.86 -4.91 119.66 115.58 2hgh s GLN 189 Ca 0.05 -1.59 0.00 0.00 0.05 0.00 0.00 55.36 53.87 2hgh s GLN 189 Cb 0.04 0.48 0.00 0.00 1.10 0.00 0.00 33.01 34.63 2hgh s GLN 189 CO 0.00 -0.80 0.00 -0.40 -0.55 0.00 0.00 175.29 173.55