#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgk n ALA 125 N 0.00 3.00 0.13 4.61 0.00 -1.26 -4.50 120.51 122.48 3hgk n ALA 125 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3hgk n ALA 125 Cb 0.00 0.05 0.02 0.00 0.00 0.00 0.00 19.45 19.52 3hgk n ALA 125 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hgk h VAL 126 N 0.00 1.05 0.64 0.00 2.07 -1.95 -1.04 116.25 117.02 3hgk h VAL 126 Ca 0.00 -2.41 -0.03 0.00 0.82 0.00 0.00 66.70 65.08 3hgk h VAL 126 Cb 0.07 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 32.31 3hgk h VAL 126 CO 0.00 0.58 -0.31 0.00 0.02 0.00 0.00 177.57 177.87 3hgk h ALA 127 N 1.40 -1.13 -0.31 1.67 0.00 -2.01 -2.95 119.26 115.93 3hgk h ALA 127 Ca -0.01 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.77 3hgk h ALA 127 Cb 1.42 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 19.49 3hgk h ALA 127 CO 0.08 -1.07 -0.01 1.25 0.00 0.00 0.00 179.25 179.49 3hgk h HIS 128 N -0.93 -0.05 -0.87 0.00 -0.00 -1.79 -2.91 115.15 108.61 3hgk h HIS 128 Ca -0.09 0.02 0.16 0.00 -0.00 0.00 0.00 60.37 60.46 3hgk h HIS 128 Cb 0.66 0.07 -0.10 0.00 -0.00 0.00 0.00 27.41 28.04 3hgk h HIS 128 CO 0.06 -0.07 0.45 0.00 -0.00 0.00 0.00 177.93 178.37 3hgk h ALA 129 N 1.28 1.33 -0.19 5.26 0.00 -1.25 -0.50 119.26 125.20 3hgk h ALA 129 Ca 0.15 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3hgk h ALA 129 Cb 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hgk h ALA 129 CO -0.27 -0.11 -0.21 -0.91 0.00 0.00 0.00 179.25 177.75 3hgk h ASN 130 N 0.62 0.33 -0.91 0.00 2.35 -1.32 -2.47 115.58 114.17 3hgk h ASN 130 Ca 0.48 -0.09 0.12 0.00 -0.55 0.00 0.00 56.30 56.26 3hgk h ASN 130 Cb 0.71 -0.09 -0.08 0.00 0.05 0.00 0.00 38.32 38.91 3hgk h ASN 130 CO -0.38 0.56 0.54 0.28 -1.65 0.00 0.00 177.43 176.77 3hgk h SER 131 N 0.30 0.75 0.49 5.81 0.02 -1.05 -1.03 113.55 118.85 3hgk h SER 131 Ca 0.05 0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 60.88 3hgk h SER 131 Cb 0.55 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 3hgk h SER 131 CO 0.04 0.39 -0.79 0.40 -1.14 0.00 0.00 176.83 175.72 3hgk h ILE 132 N 0.84 1.45 -0.24 3.27 2.04 -1.36 -2.24 117.51 121.27 3hgk h ILE 132 Ca 0.46 -2.41 -0.10 0.00 1.00 0.00 0.00 64.86 63.82 3hgk h ILE 132 Cb 0.51 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.89 3hgk h ILE 132 CO -0.29 0.71 -0.27 0.58 0.00 0.00 0.00 178.15 178.88 3hgk h VAL 133 N 0.14 1.27 0.71 1.67 2.07 -1.19 -2.30 116.25 118.62 3hgk h VAL 133 Ca -0.03 -1.30 -0.03 0.00 0.82 0.00 0.00 66.70 66.15 3hgk h VAL 133 Cb 1.39 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 3hgk h VAL 133 CO 0.12 0.41 -0.47 1.56 0.02 0.00 0.00 177.57 179.22 3hgk h GLN 134 N 0.41 -1.07 -0.60 1.57 1.08 -0.93 -1.85 115.11 113.71 3hgk h GLN 134 Ca 0.06 0.07 0.11 0.00 -1.45 0.00 0.00 58.65 57.44 3hgk h GLN 134 Cb 0.69 0.24 -0.12 0.00 -0.05 0.00 0.00 27.48 28.25 3hgk h GLN 134 CO 0.05 -0.72 -0.30 1.96 -0.95 0.00 0.00 178.83 178.87 3hgk h GLN 135 N -1.11 -0.13 -0.30 1.46 4.20 -1.36 0.53 115.11 118.40 3hgk h GLN 135 Ca -0.09 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.69 3hgk h GLN 135 Cb 0.90 0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.64 3hgk h GLN 135 CO 0.07 -0.09 -0.23 -0.07 -0.67 0.00 0.00 178.83 177.85 3hgk h LEU 136 N -0.13 -0.76 -0.45 1.46 3.38 -1.25 0.89 115.31 118.45 3hgk h LEU 136 Ca 0.25 0.15 -0.18 0.00 0.09 0.00 0.00 57.88 58.19 3hgk h LEU 136 Cb 0.54 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 3hgk h LEU 136 CO -0.68 -0.27 -0.70 0.58 0.09 0.00 0.00 178.44 177.47 3hgk h VAL 137 N -0.21 1.38 -0.36 1.22 2.07 -0.84 0.79 116.25 120.29 3hgk h VAL 137 Ca 0.16 -2.10 -0.10 0.00 0.82 0.00 0.00 66.70 65.48 3hgk h VAL 137 Cb 0.45 2.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 3hgk h VAL 137 CO -0.42 0.63 -0.19 0.77 0.02 0.00 0.00 177.57 178.38 3hgk h SER 138 N 0.27 0.68 -0.70 0.57 4.64 0.81 -2.49 113.55 117.33 3hgk h SER 138 Ca -0.02 -0.22 -0.32 0.00 -0.47 0.00 0.00 61.79 60.75 3hgk h SER 138 Cb 1.26 -0.19 -0.19 0.00 -0.31 0.00 0.00 62.40 62.97 3hgk h SER 138 CO 0.12 0.87 0.40 -0.62 -0.87 0.00 0.00 176.83 176.73 3hgk n GLU 139 N -4.14 2.37 -0.07 4.77 1.02 0.30 -4.91 120.64 120.00 3hgk n GLU 139 Ca 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 57.16 54.81 3hgk n GLU 139 Cb 0.40 -1.94 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 3hgk n GLU 139 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hgk n GLY 140 N -0.51 1.21 3.69 0.62 0.00 -0.94 -4.93 105.19 104.34 3hgk n GLY 140 Ca 0.41 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.92 3hgk n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hgk n ALA 141 N 0.61 0.55 -1.75 4.61 0.00 0.27 -4.82 120.51 119.98 3hgk n ALA 141 Ca 0.00 0.32 -0.31 0.00 0.00 0.00 0.00 53.44 53.45 3hgk n ALA 141 Cb 0.00 -2.40 -0.04 0.00 0.00 0.00 0.00 19.45 17.00 3hgk n ALA 141 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hgk s ASP 142 N 3.72 4.63 0.52 0.00 2.15 -1.26 -4.08 116.67 122.35 3hgk s ASP 142 Ca 0.94 0.46 0.19 0.00 0.43 0.00 0.00 52.55 54.57 3hgk s ASP 142 Cb -0.81 -2.53 1.30 0.00 -0.30 0.00 0.00 42.92 40.59 3hgk s ASP 142 CO 0.55 -2.93 2.10 0.16 -0.17 0.00 0.00 175.17 174.88 3hgk h ILE 143 N 7.43 0.92 -0.11 4.11 3.07 -1.87 -1.18 117.51 129.87 3hgk h ILE 143 Ca -0.16 -0.00 0.04 0.00 1.55 0.00 0.00 64.86 66.30 3hgk h ILE 143 Cb 1.16 0.91 -0.05 0.00 -0.27 0.00 0.00 36.82 38.56 3hgk h ILE 143 CO 1.15 0.00 -0.24 0.77 -1.05 0.00 0.00 178.15 178.79 3hgk h SER 144 N 0.01 -0.72 -0.50 2.16 4.64 -1.96 -1.62 113.55 115.55 3hgk h SER 144 Ca 0.08 0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.44 3hgk h SER 144 Cb 0.31 0.32 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 3hgk h SER 144 CO -0.00 -0.29 0.03 -0.74 -0.87 0.00 0.00 176.83 174.96 3hgk h HIS 145 N -0.31 0.98 -1.00 4.77 -0.00 -1.65 -2.87 115.15 115.08 3hgk h HIS 145 Ca 0.09 -0.14 0.14 0.00 -0.00 0.00 0.00 60.37 60.46 3hgk h HIS 145 Cb 0.45 -0.27 -0.09 0.00 -0.00 0.00 0.00 27.41 27.50 3hgk h HIS 145 CO -0.33 0.87 0.63 1.15 -0.00 0.00 0.00 177.93 180.25 3hgk h THR 146 N 0.86 0.87 -0.35 6.26 2.02 -0.68 0.51 112.91 122.40 3hgk h THR 146 Ca 0.17 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 3hgk h THR 146 Cb 0.46 -0.14 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 3hgk h THR 146 CO 0.02 0.17 0.19 0.03 0.37 0.00 0.00 175.52 176.30 3hgk h ARG 147 N 0.92 0.48 -0.97 6.66 3.08 -1.10 -1.61 114.38 121.84 3hgk h ARG 147 Ca 0.51 -0.05 0.23 0.00 0.07 0.00 0.00 59.98 60.74 3hgk h ARG 147 Cb 0.60 -0.10 -0.12 0.00 0.08 0.00 0.00 29.97 30.43 3hgk h ARG 147 CO -0.29 0.39 0.55 -0.91 -1.07 0.00 0.00 179.97 178.65 3hgk h ASN 148 N 0.44 0.61 0.02 7.04 2.35 -0.79 -0.21 115.58 125.04 3hgk h ASN 148 Ca 0.12 0.13 -0.12 0.00 -0.55 0.00 0.00 56.30 55.89 3hgk h ASN 148 Cb 0.05 0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.47 3hgk h ASN 148 CO -0.02 0.11 -0.48 0.24 -1.65 0.00 0.00 177.43 175.63 3hgk h MET 149 N 0.57 0.29 -0.58 0.81 2.86 -1.05 -2.02 114.93 115.81 3hgk h MET 149 Ca 0.61 -0.34 0.08 0.00 -2.06 0.00 0.00 59.70 58.00 3hgk h MET 149 Cb 1.13 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.86 3hgk h MET 149 CO -0.47 1.06 0.39 1.25 1.06 0.00 0.00 176.91 180.19 3hgk h LEU 150 N -0.33 0.39 0.14 1.22 5.85 -0.41 1.21 115.31 123.37 3hgk h LEU 150 Ca -0.07 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 3hgk h LEU 150 Cb 1.24 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3hgk h LEU 150 CO 0.09 0.24 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.28 3hgk h ARG 151 N 0.44 -0.18 -0.86 1.25 2.43 -1.12 -2.27 114.38 114.07 3hgk h ARG 151 Ca 0.26 0.01 0.22 0.00 -0.81 0.00 0.00 59.98 59.66 3hgk h ARG 151 Cb 0.46 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 3hgk h ARG 151 CO -0.07 0.27 0.59 -0.91 -1.51 0.00 0.00 179.97 178.33 3hgk h ASN 152 N -0.78 0.20 0.05 -3.80 4.21 -0.52 -1.39 115.58 113.55 3hgk h ASN 152 Ca -0.02 0.02 -0.00 0.00 1.21 0.00 0.00 56.30 57.51 3hgk h ASN 152 Cb 0.54 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.72 3hgk h ASN 152 CO 0.03 0.08 -0.02 0.00 -1.29 0.00 0.00 177.43 176.23 3hgk h ALA 153 N 1.60 -0.06 0.00 -0.83 0.00 0.16 0.45 119.26 120.58 3hgk h ALA 153 Ca 0.43 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 3hgk h ALA 153 Cb 1.36 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 3hgk h ALA 153 CO -0.09 -0.32 -0.61 0.52 0.00 0.00 0.00 179.25 178.75 3hgk h MET 154 N -0.48 0.00 -0.01 0.00 2.86 -0.79 -2.47 114.93 114.04 3hgk h MET 154 Ca -0.01 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 3hgk h MET 154 Cb 0.43 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 3hgk h MET 154 CO 0.01 0.61 -0.45 -0.91 1.06 0.00 0.00 176.91 177.23 3hgk h ASN 155 N 0.00 0.03 0.00 1.22 2.35 -1.38 -3.42 115.58 114.37 3hgk h ASN 155 Ca -0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3hgk h ASN 155 Cb 1.39 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.76 3hgk h ASN 155 CO 0.08 0.47 0.00 0.61 -1.65 0.00 0.00 177.43 176.94 3hgk n GLY 156 N -0.23 0.90 3.90 2.83 0.00 -0.93 -5.10 105.19 106.56 3hgk n GLY 156 Ca -0.02 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 3hgk n GLY 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hgk s ASP 157 N -2.15 5.13 -0.46 1.61 1.01 0.15 -4.96 116.67 117.00 3hgk s ASP 157 Ca 0.00 0.91 -0.27 0.00 0.71 0.00 0.00 52.55 53.90 3hgk s ASP 157 Cb 0.00 -1.63 -0.04 0.00 1.01 0.00 0.00 42.92 42.26 3hgk s ASP 157 CO 0.00 -1.50 2.11 0.00 0.21 0.00 0.00 175.17 175.99 3hgk s ALA 158 N -3.37 2.17 0.64 5.23 0.00 -1.26 -4.47 121.76 120.70 3hgk s ALA 158 Ca 0.59 -0.02 -0.13 0.00 0.00 0.00 0.00 51.96 52.41 3hgk s ALA 158 Cb -0.11 -4.23 -0.02 0.00 0.00 0.00 0.00 23.12 18.76 3hgk s ALA 158 CO 0.49 -3.72 1.05 0.14 0.00 0.00 0.00 175.76 173.72 3hgk s VAL 159 N 9.76 4.15 -0.41 0.00 -7.23 -1.26 -4.99 120.40 120.41 3hgk s VAL 159 Ca 0.86 0.81 0.09 0.00 -1.81 0.00 0.00 61.98 61.92 3hgk s VAL 159 Cb -0.19 -3.51 0.32 0.00 0.56 0.00 0.00 36.38 33.56 3hgk s VAL 159 CO 0.27 -0.80 0.85 0.00 -0.31 0.00 0.00 175.10 175.11 3hgk n ALA 160 N -2.63 0.79 -1.69 1.32 0.00 -1.26 -5.14 120.51 111.89 3hgk n ALA 160 Ca 0.07 -2.55 -0.38 0.00 0.00 0.00 0.00 53.44 50.58 3hgk n ALA 160 Cb 0.53 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 19.01 3hgk n ALA 160 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3hgk n PHE 161 N 0.58 1.67 -2.57 0.00 3.72 -1.26 -5.02 117.46 114.57 3hgk n PHE 161 Ca 0.17 0.43 -0.28 0.00 -0.05 0.00 0.00 57.45 57.72 3hgk n PHE 161 Cb 0.65 -2.25 -0.00 0.00 -0.94 0.00 0.00 39.48 36.94 3hgk n PHE 161 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3hgk s SER 162 N -1.18 6.27 0.28 4.37 1.04 -1.26 -4.80 113.70 118.42 3hgk s SER 162 Ca 0.77 0.97 0.02 0.00 0.48 0.00 0.00 55.95 58.19 3hgk s SER 162 Cb -0.41 -2.27 0.58 0.00 0.10 0.00 0.00 66.02 64.02 3hgk s SER 162 CO 0.45 -0.60 1.82 0.03 0.98 0.00 0.00 173.24 175.92 3hgk h ARG 163 N 0.20 0.89 0.79 4.02 3.08 -1.99 0.60 114.38 121.96 3hgk h ARG 163 Ca -0.47 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.49 3hgk h ARG 163 Cb 1.20 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.05 3hgk h ARG 163 CO 0.62 0.59 -0.43 0.28 -1.07 0.00 0.00 179.97 179.95 3hgk h VAL 164 N 0.92 0.12 -0.15 2.04 2.07 -1.96 -3.21 116.25 116.07 3hgk h VAL 164 Ca 0.51 0.00 0.01 0.00 0.82 0.00 0.00 66.70 68.03 3hgk h VAL 164 Cb 0.57 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 3hgk h VAL 164 CO -0.29 0.00 0.08 -0.33 0.02 0.00 0.00 177.57 177.05 3hgk h GLU 165 N -1.13 0.17 -0.64 1.57 5.08 -1.57 -3.03 114.58 115.03 3hgk h GLU 165 Ca -0.10 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.31 3hgk h GLU 165 Cb 0.89 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 3hgk h GLU 165 CO 0.14 0.11 0.34 0.37 -1.00 0.00 0.00 179.01 178.97 3hgk h GLN 166 N 0.17 0.61 -0.03 2.33 4.15 0.05 -1.96 115.11 120.44 3hgk h GLN 166 Ca 0.06 -0.04 -0.17 0.00 0.77 0.00 0.00 58.65 59.28 3hgk h GLN 166 Cb 0.00 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3hgk h GLN 166 CO -0.04 0.41 -0.73 -0.97 -1.93 0.00 0.00 178.83 175.57 3hgk h ASN 167 N 0.63 0.23 -0.65 -0.69 -0.73 -1.57 -2.33 115.58 110.48 3hgk h ASN 167 Ca 0.29 -0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.28 3hgk h ASN 167 Cb 0.19 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.69 3hgk h ASN 167 CO -0.19 0.88 0.33 0.40 -0.37 0.00 0.00 177.43 178.49 3hgk h ILE 168 N 0.13 1.21 -0.30 2.57 2.04 -1.34 -3.17 117.51 118.66 3hgk h ILE 168 Ca -0.02 -0.57 -0.16 0.00 1.00 0.00 0.00 64.86 65.11 3hgk h ILE 168 Cb 1.29 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3hgk h ILE 168 CO 0.11 0.24 -0.45 -0.26 0.00 0.00 0.00 178.15 177.79 3hgk h PHE 169 N 0.89 0.94 0.00 1.37 0.05 -1.26 -3.00 116.94 115.94 3hgk h PHE 169 Ca 0.23 -0.30 -0.01 0.00 3.82 0.00 0.00 57.97 61.71 3hgk h PHE 169 Cb 0.08 -0.19 -0.00 0.00 2.00 0.00 0.00 35.95 37.84 3hgk h PHE 169 CO -0.00 1.08 -0.03 -0.09 -0.18 0.00 0.00 178.31 179.09 3hgk h ARG 170 N 0.62 0.00 -0.34 1.51 2.43 -1.39 -0.53 114.38 116.68 3hgk h ARG 170 Ca 0.04 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3hgk h ARG 170 Cb 1.02 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 3hgk h ARG 170 CO 0.10 0.03 0.03 1.96 -1.51 0.00 0.00 179.97 180.57 3hgk h GLN 171 N 0.00 0.58 0.00 0.20 4.20 -1.51 -3.31 115.11 115.26 3hgk h GLN 171 Ca -0.00 -0.17 -0.25 0.00 0.06 0.00 0.00 58.65 58.28 3hgk h GLN 171 Cb 0.10 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.77 3hgk h GLN 171 CO 0.00 0.68 -2.25 0.72 -0.67 0.00 0.00 178.83 177.32 3hgk n HIS 172 N -4.55 0.03 -3.67 2.96 8.25 -1.00 -4.57 115.22 112.66 3hgk n HIS 172 Ca -0.02 0.01 -0.36 0.00 -0.26 0.00 0.00 57.72 57.09 3hgk n HIS 172 Cb 0.25 -0.85 -0.08 0.00 1.12 0.00 0.00 29.99 30.42 3hgk n HIS 172 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hgk s PHE 173 N -2.81 3.62 0.10 4.41 0.08 -0.24 -4.98 117.98 118.17 3hgk s PHE 173 Ca -0.09 -2.84 -0.24 0.00 0.12 0.00 0.00 56.93 53.88 3hgk s PHE 173 Cb 0.08 -3.22 -0.10 0.00 -0.57 0.00 0.00 43.02 39.21 3hgk s PHE 173 CO 0.85 -0.79 1.70 -1.00 -0.10 0.00 0.00 175.22 175.88 3hgk h PRO 174 N 6.57 -0.17 -1.10 0.24 0.13 -1.81 -2.20 132.00 133.66 3hgk h PRO 174 Ca 0.07 0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.99 3hgk h PRO 174 Cb 0.89 0.04 -0.12 0.00 0.13 0.00 0.00 31.00 31.94 3hgk h PRO 174 CO 0.77 -0.12 0.28 0.09 -0.23 0.00 0.00 178.00 178.80 3hgk n ASN 175 N -5.22 3.82 -0.11 1.44 5.03 -1.26 -4.46 115.26 114.50 3hgk n ASN 175 Ca -0.06 -2.70 0.07 0.00 0.87 0.00 0.00 54.58 52.76 3hgk n ASN 175 Cb 0.14 -0.71 0.41 0.00 -1.02 0.00 0.00 39.78 38.61 3hgk n ASN 175 CO 0.00 0.00 0.00 -0.03 -1.83 0.00 0.00 177.26 175.40 3hgk h MET 176 N 0.58 0.59 0.06 3.52 4.05 -1.75 0.45 114.93 122.42 3hgk h MET 176 Ca 0.26 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.66 3hgk h MET 176 Cb 1.62 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 32.26 3hgk h MET 176 CO 0.48 0.39 -0.15 -1.35 0.23 0.00 0.00 176.91 176.51 3hgk h PRO 177 N 0.61 -0.26 0.00 0.39 0.11 -1.86 -3.29 132.00 127.70 3hgk h PRO 177 Ca 0.26 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3hgk h PRO 177 Cb 0.26 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.43 3hgk h PRO 177 CO -0.08 -0.18 -0.28 0.52 -0.21 0.00 0.00 178.00 177.77 3hgk h MET 178 N -0.27 0.00 0.00 1.05 2.86 -1.87 -3.44 114.93 113.25 3hgk h MET 178 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3hgk h MET 178 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 3hgk h MET 178 CO -0.10 0.00 -0.38 0.45 1.06 0.00 0.00 176.91 177.94 3hgk h HIS 179 N -0.83 0.00 -3.14 -0.22 3.86 -1.16 -3.51 115.15 110.14 3hgk h HIS 179 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3hgk h HIS 179 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 3hgk h HIS 179 CO -0.12 0.00 -0.76 0.41 0.86 0.00 0.00 177.93 178.31 3hgk n GLY 180 N 1.66 -4.42 0.01 2.45 0.00 -0.43 -4.79 105.19 99.68 3hgk n GLY 180 Ca -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3hgk n GLY 180 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hgk n ILE 181 N -0.76 0.00 -1.51 -0.61 5.41 -1.26 -4.92 119.36 115.72 3hgk n ILE 181 Ca 0.00 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.45 3hgk n ILE 181 Cb 0.00 0.00 0.19 0.00 -0.71 0.00 0.00 39.64 39.12 3hgk n ILE 181 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3hgk s SER 182 N 0.00 2.43 -0.03 4.38 0.15 -1.26 -4.31 113.70 115.06 3hgk s SER 182 Ca 0.00 0.60 -0.20 0.00 0.70 0.00 0.00 55.95 57.05 3hgk s SER 182 Cb 0.00 -0.88 -0.13 0.00 -1.71 0.00 0.00 66.02 63.30 3hgk s SER 182 CO 0.00 -3.19 0.88 -0.09 1.20 0.00 0.00 173.24 172.04 3hgk h ARG 183 N -1.94 -0.40 0.00 5.44 2.43 -1.91 -3.33 114.38 114.67 3hgk h ARG 183 Ca -0.46 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3hgk h ARG 183 Cb 1.28 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.93 3hgk h ARG 183 CO 0.44 -0.09 0.00 -0.25 -1.51 0.00 0.00 179.97 178.56 3hgk n ASP 184 N -5.07 0.00 -4.58 -3.80 8.00 -1.26 -4.65 116.55 105.20 3hgk n ASP 184 Ca -0.08 -1.29 -0.40 0.00 0.71 0.00 0.00 54.79 53.73 3hgk n ASP 184 Cb 0.26 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 3hgk n ASP 184 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3hgk s SER 185 N -1.67 5.06 0.15 -2.24 0.15 -1.25 -4.83 113.70 109.07 3hgk s SER 185 Ca 0.30 1.39 -0.31 0.00 0.70 0.00 0.00 55.95 58.04 3hgk s SER 185 Cb 0.14 -2.51 -0.06 0.00 -1.71 0.00 0.00 66.02 61.88 3hgk s SER 185 CO 0.23 -2.35 1.55 -0.08 1.20 0.00 0.00 173.24 173.79 3hgk h GLU 186 N 16.74 -0.17 -0.82 5.44 4.81 -1.94 0.20 114.58 138.84 3hgk h GLU 186 Ca -0.32 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 58.99 3hgk h GLU 186 Cb 1.24 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 30.61 3hgk h GLU 186 CO 1.07 -0.12 0.54 1.25 -0.73 0.00 0.00 179.01 181.02 3hgk h LEU 187 N -0.18 0.78 -0.91 1.64 5.85 -1.90 -1.83 115.31 118.77 3hgk h LEU 187 Ca 0.14 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 3hgk h LEU 187 Cb 0.51 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3hgk h LEU 187 CO -0.78 0.50 0.05 0.00 -0.34 0.00 0.00 178.44 177.87 3hgk h ALA 188 N 1.56 1.10 0.06 1.25 0.00 -1.35 -1.74 119.26 120.14 3hgk h ALA 188 Ca 0.36 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hgk h ALA 188 Cb 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hgk h ALA 188 CO -0.13 0.58 -0.03 0.82 0.00 0.00 0.00 179.25 180.49 3hgk h ILE 189 N 0.81 1.16 -0.85 0.00 2.04 -0.48 -2.20 117.51 117.99 3hgk h ILE 189 Ca 0.16 -0.79 0.12 0.00 1.00 0.00 0.00 64.86 65.35 3hgk h ILE 189 Cb 0.41 1.68 -0.08 0.00 -0.74 0.00 0.00 36.82 38.08 3hgk h ILE 189 CO 0.01 0.20 0.47 -0.33 0.00 0.00 0.00 178.15 178.50 3hgk h GLU 190 N -0.44 0.72 -0.40 2.37 4.39 -1.41 -1.56 114.58 118.24 3hgk h GLU 190 Ca -0.01 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 3hgk h GLU 190 Cb 0.39 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 3hgk h GLU 190 CO 0.01 0.48 0.01 1.25 -1.16 0.00 0.00 179.01 179.60 3hgk h LEU 191 N 0.74 0.60 -1.06 1.33 5.85 -1.23 0.45 115.31 121.98 3hgk h LEU 191 Ca 0.43 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 59.00 3hgk h LEU 191 Cb 0.49 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 3hgk h LEU 191 CO -0.29 0.66 0.33 -0.09 -0.34 0.00 0.00 178.44 178.70 3hgk h ARG 192 N 0.60 0.99 0.26 1.25 2.43 -0.64 -1.37 114.38 117.90 3hgk h ARG 192 Ca 0.13 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3hgk h ARG 192 Cb 0.37 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 3hgk h ARG 192 CO 0.01 0.77 -0.12 0.78 -1.51 0.00 0.00 179.97 179.90 3hgk h GLY 193 N 1.05 -0.36 -1.15 2.80 0.00 -1.08 -2.19 103.07 102.13 3hgk h GLY 193 Ca 0.24 0.13 0.44 0.00 0.00 0.00 0.00 47.33 48.15 3hgk h GLY 193 CO -0.03 -0.13 0.94 0.00 0.00 0.00 0.00 176.54 177.32 3hgk h ALA 194 N -1.02 2.93 0.05 3.60 0.00 -0.07 0.25 119.26 125.01 3hgk h ALA 194 Ca -0.04 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hgk h ALA 194 Cb 0.31 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hgk h ALA 194 CO 0.06 -1.52 -0.02 -0.07 0.00 0.00 0.00 179.25 177.70 3hgk h LEU 195 N 0.08 -0.05 -0.82 0.00 4.07 -1.36 -3.19 115.31 114.05 3hgk h LEU 195 Ca 0.81 -0.25 0.20 0.00 0.08 0.00 0.00 57.88 58.72 3hgk h LEU 195 Cb 2.70 0.01 -0.14 0.00 1.08 0.00 0.00 40.66 44.32 3hgk h LEU 195 CO -0.31 0.56 0.08 -0.09 -1.08 0.00 0.00 178.44 177.59 3hgk h ARG 196 N -1.00 0.13 0.17 1.13 2.43 0.10 0.39 114.38 117.73 3hgk h ARG 196 Ca -0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3hgk h ARG 196 Cb 0.30 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3hgk h ARG 196 CO 0.01 0.08 -0.08 0.00 -1.51 0.00 0.00 179.97 178.47 3hgk h ARG 197 N 0.13 -0.22 -0.69 0.20 3.08 -1.32 -2.99 114.38 112.57 3hgk h ARG 197 Ca 0.47 0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.70 3hgk h ARG 197 Cb 0.88 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.95 3hgk h ARG 197 CO -0.68 -0.04 0.47 0.00 -1.07 0.00 0.00 179.97 178.65 3hgk h ALA 198 N 0.43 2.33 -0.67 0.04 0.00 -0.40 -0.37 119.26 120.62 3hgk h ALA 198 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hgk h ALA 198 Cb 0.29 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3hgk h ALA 198 CO 0.04 -0.52 0.39 0.28 0.00 0.00 0.00 179.25 179.44 3hgk h VAL 199 N 0.22 1.19 0.00 0.00 2.07 -0.41 -3.51 116.25 115.82 3hgk h VAL 199 Ca 0.34 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3hgk h VAL 199 Cb 1.00 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3hgk h VAL 199 CO -0.07 0.21 0.00 1.41 0.02 0.00 0.00 177.57 179.14