#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ds2 s SER 149 N 0.00 6.81 0.54 8.00 0.15 -1.26 -4.96 113.70 122.98 3ds2 s SER 149 Ca 0.00 1.03 0.25 0.00 0.70 0.00 0.00 55.95 57.93 3ds2 s SER 149 Cb 0.00 -2.27 1.42 0.00 -1.71 0.00 0.00 66.02 63.46 3ds2 s SER 149 CO 0.00 0.14 2.03 -0.29 1.20 0.00 0.00 173.24 176.32 3ds2 h ILE 150 N 2.89 0.72 0.00 6.45 6.09 -1.96 -1.74 117.51 129.96 3ds2 h ILE 150 Ca -0.49 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.00 3ds2 h ILE 150 Cb 1.20 0.78 -0.00 0.00 0.47 0.00 0.00 36.82 39.27 3ds2 h ILE 150 CO 0.65 0.00 -0.02 -0.07 -3.07 0.00 0.00 178.15 175.65 3ds2 h LEU 151 N 0.00 0.00 -2.10 2.19 3.38 -2.00 -2.86 115.31 113.92 3ds2 h LEU 151 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3ds2 h LEU 151 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3ds2 h LEU 151 CO -0.00 0.02 0.00 0.47 0.09 0.00 0.00 178.44 179.01 3ds2 n ASP 152 N -3.74 2.89 -4.66 -0.43 8.00 -0.66 -4.93 116.55 113.02 3ds2 n ASP 152 Ca -0.03 -1.85 -0.43 0.00 0.71 0.00 0.00 54.79 53.19 3ds2 n ASP 152 Cb 0.10 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 3ds2 n ASP 152 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3ds2 s ILE 153 N -1.35 4.45 -0.02 0.53 -1.09 -1.08 -4.98 121.20 117.65 3ds2 s ILE 153 Ca 0.27 1.75 -0.00 0.00 -2.23 0.00 0.00 60.65 60.44 3ds2 s ILE 153 Cb 0.17 -4.13 0.02 0.00 -1.58 0.00 0.00 42.46 36.95 3ds2 s ILE 153 CO 0.24 -0.15 0.03 -0.13 -1.23 0.00 0.00 174.94 173.71 3ds2 s ARG 154 N 3.31 -0.02 0.31 2.79 0.52 -1.26 -4.80 118.95 119.80 3ds2 s ARG 154 Ca 0.50 0.17 -0.28 0.00 -0.52 0.00 0.00 55.73 55.60 3ds2 s ARG 154 Cb -0.19 -0.19 -0.09 0.00 0.52 0.00 0.00 34.95 34.99 3ds2 s ARG 154 CO 0.12 -0.13 1.11 -1.14 0.02 0.00 0.00 175.30 175.27 3ds2 s GLN 155 N 0.86 4.50 0.60 3.54 0.74 -0.36 -5.03 119.66 124.52 3ds2 s GLN 155 Ca -0.07 1.78 -0.12 0.00 0.05 0.00 0.00 55.36 57.00 3ds2 s GLN 155 Cb -0.10 -3.04 -0.05 0.00 1.10 0.00 0.00 33.01 30.93 3ds2 s GLN 155 CO -0.03 0.09 1.02 0.20 -0.55 0.00 0.00 175.29 176.03 3ds2 s GLY 156 N -0.99 1.73 0.58 2.59 0.00 -1.26 -4.39 107.32 105.57 3ds2 s GLY 156 Ca 0.48 -0.05 0.31 0.00 0.00 0.00 0.00 44.72 45.46 3ds2 s GLY 156 CO 0.39 0.23 2.22 -0.56 0.00 0.00 0.00 173.10 175.38 3ds2 h PRO 157 N -0.12 0.00 0.00 2.90 0.13 -2.00 -2.39 132.00 130.52 3ds2 h PRO 157 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3ds2 h PRO 157 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3ds2 h PRO 157 CO 0.62 0.03 0.00 1.63 -0.23 0.00 0.00 178.00 180.05 3ds2 n LYS 158 N -3.71 2.20 -2.51 0.86 5.02 -1.26 -4.83 118.16 113.92 3ds2 n LYS 158 Ca -0.03 -1.29 -0.42 0.00 -2.02 0.00 0.00 58.31 54.55 3ds2 n LYS 158 Cb 0.12 -0.99 -0.03 0.00 -0.02 0.00 0.00 35.03 34.12 3ds2 n LYS 158 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3ds2 s GLU 159 N -0.79 4.37 0.30 1.97 2.12 -0.90 -1.50 118.70 124.27 3ds2 s GLU 159 Ca 0.00 1.61 -0.28 0.00 0.36 0.00 0.00 54.97 56.65 3ds2 s GLU 159 Cb 0.00 -3.55 -0.14 0.00 0.26 0.00 0.00 34.13 30.71 3ds2 s GLU 159 CO 0.00 -0.41 1.12 -2.30 -0.54 0.00 0.00 175.26 173.13 3ds2 n PRO 160 N 5.11 1.61 -0.35 4.30 -0.02 -1.26 -4.76 135.00 139.62 3ds2 n PRO 160 Ca 0.10 0.56 0.03 0.00 -2.02 0.00 0.00 63.50 62.18 3ds2 n PRO 160 Cb 0.47 -2.01 0.18 0.00 -0.02 0.00 0.00 33.50 32.11 3ds2 n PRO 160 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3ds2 h PHE 161 N 2.29 1.12 0.00 6.00 3.57 -1.84 -0.52 116.94 127.57 3ds2 h PHE 161 Ca -0.42 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.06 3ds2 h PHE 161 Cb 1.32 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 3ds2 h PHE 161 CO 0.49 0.54 -0.24 0.07 -2.23 0.00 0.00 178.31 176.94 3ds2 h ARG 162 N 1.07 0.00 -0.14 1.11 0.11 -1.94 0.27 114.38 114.87 3ds2 h ARG 162 Ca 0.43 0.00 -0.20 0.00 0.10 0.00 0.00 59.98 60.31 3ds2 h ARG 162 Cb 0.25 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.34 3ds2 h ARG 162 CO -0.20 0.24 -0.71 -0.44 0.10 0.00 0.00 179.97 178.96 3ds2 h ASP 163 N 0.00 0.86 -0.60 0.08 3.32 -1.47 -1.86 116.42 116.75 3ds2 h ASP 163 Ca -0.00 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.42 3ds2 h ASP 163 Cb 0.59 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3ds2 h ASP 163 CO 0.03 1.36 0.39 0.22 -1.72 0.00 0.00 179.24 179.52 3ds2 h TYR 164 N 0.43 0.76 -0.55 4.55 3.20 -0.79 -2.57 116.97 122.00 3ds2 h TYR 164 Ca -0.05 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 3ds2 h TYR 164 Cb 1.35 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 39.34 3ds2 h TYR 164 CO 0.10 0.49 0.14 0.28 -1.64 0.00 0.00 178.16 177.53 3ds2 h VAL 165 N 0.81 1.23 -0.75 1.81 2.07 -0.92 0.87 116.25 121.36 3ds2 h VAL 165 Ca 0.22 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 3ds2 h VAL 165 Cb -0.07 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3ds2 h VAL 165 CO -0.05 0.30 0.34 0.44 0.02 0.00 0.00 177.57 178.62 3ds2 h ASP 166 N 0.82 1.00 -0.31 0.57 3.45 -1.13 0.17 116.42 121.00 3ds2 h ASP 166 Ca 0.18 -0.15 -0.08 0.00 0.43 0.00 0.00 57.03 57.41 3ds2 h ASP 166 Cb 0.28 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.78 3ds2 h ASP 166 CO -0.00 0.87 -0.13 0.03 -1.57 0.00 0.00 179.24 178.45 3ds2 h ARG 167 N 1.07 0.63 -0.16 3.56 3.08 -0.98 -1.52 114.38 120.05 3ds2 h ARG 167 Ca 0.26 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3ds2 h ARG 167 Cb 0.16 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3ds2 h ARG 167 CO -0.03 0.84 0.10 0.35 -1.07 0.00 0.00 179.97 180.16 3ds2 h PHE 168 N 0.39 0.21 -0.62 3.04 3.57 -0.44 -1.67 116.94 121.42 3ds2 h PHE 168 Ca 0.07 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.55 3ds2 h PHE 168 Cb 0.64 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 3ds2 h PHE 168 CO 0.06 0.17 0.29 0.00 -2.23 0.00 0.00 178.31 176.60 3ds2 h ALA 169 N 1.02 0.80 -0.68 2.41 0.00 -0.61 0.24 119.26 122.44 3ds2 h ALA 169 Ca 0.06 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3ds2 h ALA 169 Cb 0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3ds2 h ALA 169 CO -0.01 0.37 0.16 1.57 0.00 0.00 0.00 179.25 181.34 3ds2 h LYS 170 N 0.85 1.08 -0.17 0.00 2.10 -1.21 0.14 116.57 119.35 3ds2 h LYS 170 Ca 0.21 -0.25 -0.20 0.00 -2.00 0.00 0.00 60.65 58.41 3ds2 h LYS 170 Cb 0.14 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.32 3ds2 h LYS 170 CO -0.02 0.96 -0.67 1.15 -2.00 0.00 0.00 179.45 178.86 3ds2 h THR 171 N 1.03 1.31 -0.57 0.07 2.02 -0.87 -2.51 112.91 113.38 3ds2 h THR 171 Ca 0.21 -1.92 -0.05 0.00 0.77 0.00 0.00 66.41 65.43 3ds2 h THR 171 Cb 0.37 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 3ds2 h THR 171 CO 0.00 0.60 0.17 0.25 0.37 0.00 0.00 175.52 176.92 3ds2 h LEU 172 N 0.49 0.83 -0.90 2.58 5.85 -0.16 -0.90 115.31 123.11 3ds2 h LEU 172 Ca -0.02 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.51 3ds2 h LEU 172 Cb 1.27 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 3ds2 h LEU 172 CO 0.13 0.82 0.59 -0.09 -0.34 0.00 0.00 178.44 179.56 3ds2 h ARG 173 N 0.80 1.14 0.00 1.25 9.65 -0.60 -2.27 114.38 124.36 3ds2 h ARG 173 Ca 0.18 -0.07 -0.06 0.00 -1.10 0.00 0.00 59.98 58.93 3ds2 h ARG 173 Cb 0.29 -0.26 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 3ds2 h ARG 173 CO -0.00 0.75 -0.30 0.00 2.80 0.00 0.00 179.97 183.21 3ds2 h ALA 174 N 1.36 0.86 -2.87 2.80 0.00 -1.02 -3.46 119.26 116.93 3ds2 h ALA 174 Ca 0.35 -0.28 -0.52 0.00 0.00 0.00 0.00 54.91 54.46 3ds2 h ALA 174 Cb -0.05 -0.05 0.08 0.00 0.00 0.00 0.00 17.79 17.77 3ds2 h ALA 174 CO -0.10 0.38 0.62 -2.00 0.00 0.00 0.00 179.25 178.15 3ds2 s GLU 175 N -3.25 4.06 -0.36 0.00 2.56 -0.38 -4.98 118.70 116.35 3ds2 s GLU 175 Ca 0.03 2.17 -0.26 0.00 0.00 0.00 0.00 54.97 56.91 3ds2 s GLU 175 Cb 0.08 -2.83 0.02 0.00 2.00 0.00 0.00 34.13 33.39 3ds2 s GLU 175 CO 0.69 -0.42 0.95 -1.14 -0.56 0.00 0.00 175.26 174.78 3ds2 s GLN 176 N -2.14 3.87 -0.16 4.30 0.74 -1.26 -5.00 119.66 120.02 3ds2 s GLN 176 Ca 0.55 0.65 -0.32 0.00 0.05 0.00 0.00 55.36 56.28 3ds2 s GLN 176 Cb -0.38 -3.80 0.14 0.00 1.10 0.00 0.00 33.01 30.07 3ds2 s GLN 176 CO 0.50 -0.95 1.13 0.00 -0.55 0.00 0.00 175.29 175.42 3ds2 s ALA 177 N 3.53 -2.01 0.76 1.58 0.00 -1.26 -5.11 121.76 119.25 3ds2 s ALA 177 Ca 0.39 1.52 -0.11 0.00 0.00 0.00 0.00 51.96 53.77 3ds2 s ALA 177 Cb -0.12 -0.27 0.05 0.00 0.00 0.00 0.00 23.12 22.78 3ds2 s ALA 177 CO 0.19 -0.53 1.09 -1.54 0.00 0.00 0.00 175.76 174.97 3ds2 s SER 178 N -1.93 4.62 0.23 0.00 1.04 -1.26 -4.81 113.70 111.59 3ds2 s SER 178 Ca 0.07 1.81 -0.06 0.00 0.48 0.00 0.00 55.95 58.24 3ds2 s SER 178 Cb -0.01 -2.52 0.22 0.00 0.10 0.00 0.00 66.02 63.81 3ds2 s SER 178 CO -0.05 -1.96 1.76 -0.61 0.98 0.00 0.00 173.24 173.36 3ds2 h GLN 179 N -1.05 1.04 -0.69 4.02 5.75 -2.01 0.95 115.11 123.12 3ds2 h GLN 179 Ca -0.44 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 57.87 3ds2 h GLN 179 Cb 1.23 -0.14 -0.05 0.00 1.07 0.00 0.00 27.48 29.59 3ds2 h GLN 179 CO 0.52 0.92 0.42 1.05 -2.65 0.00 0.00 178.83 179.09 3ds2 h GLU 180 N 0.99 0.79 -0.83 1.69 4.11 -1.99 0.17 114.58 119.51 3ds2 h GLU 180 Ca 0.21 -0.05 -0.03 0.00 0.07 0.00 0.00 59.36 59.56 3ds2 h GLU 180 Cb 0.34 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3ds2 h GLU 180 CO -0.00 0.52 0.39 0.28 0.07 0.00 0.00 179.01 180.27 3ds2 h VAL 181 N 0.81 1.26 -0.61 -1.06 2.07 -1.80 -1.28 116.25 115.64 3ds2 h VAL 181 Ca 0.28 -0.73 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 3ds2 h VAL 181 Cb 0.06 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 3ds2 h VAL 181 CO -0.12 0.31 0.17 0.11 0.02 0.00 0.00 177.57 178.06 3ds2 h LYS 182 N 1.18 0.96 -0.99 1.57 1.57 0.16 0.20 116.57 121.23 3ds2 h LYS 182 Ca 0.28 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3ds2 h LYS 182 Cb 0.13 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 3ds2 h LYS 182 CO -0.03 0.87 0.66 -0.91 -0.57 0.00 0.00 179.45 179.46 3ds2 h ASN 183 N 0.88 1.14 -0.25 0.86 2.35 -0.43 -1.14 115.58 118.99 3ds2 h ASN 183 Ca 0.19 -0.03 -0.15 0.00 -0.55 0.00 0.00 56.30 55.76 3ds2 h ASN 183 Cb 0.33 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3ds2 h ASN 183 CO -0.00 0.82 -0.40 -0.25 -1.65 0.00 0.00 177.43 175.95 3ds2 h TRP 184 N 1.34 0.95 -0.64 1.19 7.01 -0.72 -1.00 115.95 124.09 3ds2 h TRP 184 Ca 0.36 -0.29 0.07 0.00 2.11 0.00 0.00 58.89 61.14 3ds2 h TRP 184 Cb -0.15 -0.20 -0.06 0.00 -2.10 0.00 0.00 29.16 26.65 3ds2 h TRP 184 CO -0.00 1.06 0.33 0.52 -2.79 0.00 0.00 178.44 177.56 3ds2 h MET 185 N 0.65 0.59 -0.39 2.65 2.86 -0.34 -0.72 114.93 120.23 3ds2 h MET 185 Ca 0.05 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.57 3ds2 h MET 185 Cb 0.96 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.48 3ds2 h MET 185 CO 0.09 0.39 -0.11 1.15 1.06 0.00 0.00 176.91 179.49 3ds2 h THR 186 N 0.60 1.28 -0.84 2.22 2.02 -0.98 0.17 112.91 117.37 3ds2 h THR 186 Ca 0.29 -1.20 0.04 0.00 0.77 0.00 0.00 66.41 66.31 3ds2 h THR 186 Cb 0.23 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 3ds2 h THR 186 CO -0.21 0.40 0.55 -0.08 0.37 0.00 0.00 175.52 176.56 3ds2 h GLU 187 N 0.57 1.01 0.00 6.66 4.81 -0.78 -3.09 114.58 123.76 3ds2 h GLU 187 Ca 0.10 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3ds2 h GLU 187 Cb 0.63 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3ds2 h GLU 187 CO 0.04 0.67 -0.48 0.25 -0.73 0.00 0.00 179.01 178.76 3ds2 n THR 188 N -4.45 0.89 -0.27 0.32 -2.24 -0.31 -4.49 114.28 103.73 3ds2 n THR 188 Ca 0.11 0.30 -0.06 0.00 -2.27 0.00 0.00 64.05 62.13 3ds2 n THR 188 Cb 0.11 -2.02 0.07 0.00 -2.10 0.00 0.00 70.33 66.38 3ds2 n THR 188 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3ds2 h LEU 189 N -0.60 1.09 -0.65 3.22 3.38 -0.83 -1.26 115.31 119.65 3ds2 h LEU 189 Ca 0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3ds2 h LEU 189 Cb 0.48 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3ds2 h LEU 189 CO 0.00 0.99 0.35 0.25 0.09 0.00 0.00 178.44 180.12 3ds2 h LEU 190 N 1.12 0.82 -0.06 1.67 5.85 -1.53 0.59 115.31 123.78 3ds2 h LEU 190 Ca 0.25 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 3ds2 h LEU 190 Cb 0.28 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3ds2 h LEU 190 CO -0.01 0.69 -0.20 0.58 -0.34 0.00 0.00 178.44 179.16 3ds2 h VAL 191 N 0.89 1.45 -0.62 1.05 2.07 -1.71 -2.84 116.25 116.53 3ds2 h VAL 191 Ca 0.23 -1.62 0.03 0.00 0.82 0.00 0.00 66.70 66.16 3ds2 h VAL 191 Cb 0.06 2.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 3ds2 h VAL 191 CO -0.03 0.45 0.41 -0.61 0.02 0.00 0.00 177.57 177.81 3ds2 h GLN 192 N -0.29 0.72 -0.41 1.57 4.15 -1.01 -2.28 115.11 117.56 3ds2 h GLN 192 Ca -0.01 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3ds2 h GLN 192 Cb 0.84 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.37 3ds2 h GLN 192 CO 0.04 0.48 0.00 0.09 -1.93 0.00 0.00 178.83 177.51 3ds2 n ASN 193 N -4.46 3.51 -4.76 -0.69 3.02 0.18 -4.93 115.26 107.13 3ds2 n ASN 193 Ca 0.08 -1.99 -0.32 0.00 -0.03 0.00 0.00 54.58 52.31 3ds2 n ASN 193 Cb 0.13 -0.26 0.08 0.00 -0.61 0.00 0.00 39.78 39.11 3ds2 n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3ds2 s ALA 194 N -1.46 2.29 0.83 5.41 0.00 -0.86 -1.22 121.76 126.75 3ds2 s ALA 194 Ca 0.39 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.65 3ds2 s ALA 194 Cb 0.23 -3.31 0.09 0.00 0.00 0.00 0.00 23.12 20.13 3ds2 s ALA 194 CO 0.32 -1.65 1.10 0.54 0.00 0.00 0.00 175.76 176.07 3ds2 s ASN 195 N -3.00 4.19 0.26 0.00 2.20 -1.26 -4.63 114.94 112.70 3ds2 s ASN 195 Ca 0.64 1.29 -0.03 0.00 -0.94 0.00 0.00 52.86 53.82 3ds2 s ASN 195 Cb -0.19 -1.99 0.41 0.00 -2.00 0.00 0.00 41.25 37.48 3ds2 s ASN 195 CO 0.50 -2.16 1.86 -0.65 -2.94 0.00 0.00 177.10 173.71 3ds2 h PRO 196 N -1.22 1.04 -0.26 3.55 0.11 -1.94 0.10 132.00 133.38 3ds2 h PRO 196 Ca -0.48 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.47 3ds2 h PRO 196 Cb 1.28 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3ds2 h PRO 196 CO 0.59 0.69 -0.22 -0.44 -0.21 0.00 0.00 178.00 178.41 3ds2 h ASP 197 N 1.07 0.64 -0.26 -2.05 5.19 -1.94 -2.21 116.42 116.84 3ds2 h ASP 197 Ca 0.43 -0.46 -0.16 0.00 -0.62 0.00 0.00 57.03 56.22 3ds2 h ASP 197 Cb 0.24 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 3ds2 h ASP 197 CO -0.20 0.96 -0.43 0.00 -3.12 0.00 0.00 179.24 176.45 3ds2 h LYS 199 N 0.66 0.71 -0.29 0.00 3.64 -0.72 0.72 116.57 121.29 3ds2 h LYS 199 Ca 0.05 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3ds2 h LYS 199 Cb 1.01 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.65 3ds2 h LYS 199 CO 0.10 0.47 0.18 1.15 -2.27 0.00 0.00 179.45 179.07 3ds2 h THR 200 N 0.73 1.10 -0.24 1.00 2.02 -1.40 0.55 112.91 116.68 3ds2 h THR 200 Ca 0.36 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 3ds2 h THR 200 Cb 0.31 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3ds2 h THR 200 CO -0.23 0.10 -0.01 0.40 0.37 0.00 0.00 175.52 176.14 3ds2 h ILE 201 N 0.37 1.26 -0.79 3.11 2.04 -1.38 -2.15 117.51 119.98 3ds2 h ILE 201 Ca 0.10 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 65.06 3ds2 h ILE 201 Cb 0.01 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3ds2 h ILE 201 CO -0.02 0.29 0.52 -0.07 0.00 0.00 0.00 178.15 178.87 3ds2 h LEU 202 N 0.19 0.85 -0.76 1.44 3.38 -0.62 -0.39 115.31 119.39 3ds2 h LEU 202 Ca 0.07 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 3ds2 h LEU 202 Cb 0.44 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3ds2 h LEU 202 CO 0.01 0.59 -0.60 0.11 0.09 0.00 0.00 178.44 178.64 3ds2 h LYS 203 N 0.99 0.06 -0.38 1.13 1.57 -0.75 -0.88 116.57 118.30 3ds2 h LYS 203 Ca 0.31 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3ds2 h LYS 203 Cb 0.01 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3ds2 h LYS 203 CO -0.09 0.64 -0.00 0.00 -0.57 0.00 0.00 179.45 179.43 3ds2 h ALA 204 N 1.35 0.52 -0.60 3.86 0.00 -0.69 -3.07 119.26 120.62 3ds2 h ALA 204 Ca -0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3ds2 h ALA 204 Cb 1.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3ds2 h ALA 204 CO 0.08 0.29 0.15 1.25 0.00 0.00 0.00 179.25 181.02 3ds2 h LEU 205 N 0.50 0.91 0.00 0.00 5.85 -0.88 -3.49 115.31 118.20 3ds2 h LEU 205 Ca 0.11 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3ds2 h LEU 205 Cb 0.47 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.26 3ds2 h LEU 205 CO 0.02 0.90 0.00 0.61 -0.34 0.00 0.00 178.44 179.63 3ds2 n GLY 206 N -0.64 -0.13 3.76 3.75 0.00 -0.35 -4.76 105.19 106.80 3ds2 n GLY 206 Ca 0.03 -1.79 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 3ds2 n GLY 206 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ds2 s PRO 207 N -1.88 3.07 0.00 1.61 0.04 -1.26 -3.22 135.00 133.36 3ds2 s PRO 207 Ca 0.00 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3ds2 s PRO 207 Cb 0.00 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3ds2 s PRO 207 CO 0.00 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.34 3ds2 n GLY 208 N 0.34 1.15 3.75 0.56 0.00 -1.26 -5.03 105.19 104.70 3ds2 n GLY 208 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 3ds2 n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ds2 s ALA 209 N -3.58 2.43 0.65 4.61 0.00 -1.20 -5.02 121.76 119.66 3ds2 s ALA 209 Ca 0.00 0.91 -0.10 0.00 0.00 0.00 0.00 51.96 52.77 3ds2 s ALA 209 Cb 0.00 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3ds2 s ALA 209 CO 0.00 -1.35 1.03 0.95 0.00 0.00 0.00 175.76 176.39 3ds2 s THR 210 N -1.79 4.02 0.17 0.00 -4.23 -1.26 -4.91 115.64 107.65 3ds2 s THR 210 Ca 0.75 0.53 -0.14 0.00 -1.18 0.00 0.00 61.69 61.65 3ds2 s THR 210 Cb -0.29 -3.63 0.06 0.00 1.34 0.00 0.00 72.50 69.99 3ds2 s THR 210 CO 0.37 -0.80 1.76 0.25 -0.54 0.00 0.00 174.62 175.66 3ds2 h LEU 211 N -0.42 0.22 -1.49 4.79 5.85 -1.99 -0.67 115.31 121.61 3ds2 h LEU 211 Ca -0.45 0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.37 3ds2 h LEU 211 Cb 1.23 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 3ds2 h LEU 211 CO 0.63 0.16 0.41 -0.08 -0.34 0.00 0.00 178.44 179.22 3ds2 h GLU 212 N 0.37 0.62 -0.35 1.25 4.57 -1.99 0.27 114.58 119.32 3ds2 h GLU 212 Ca 0.21 -0.04 -0.16 0.00 -1.18 0.00 0.00 59.36 58.19 3ds2 h GLU 212 Cb 0.18 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.63 3ds2 h GLU 212 CO -0.19 0.41 -0.42 0.93 -1.18 0.00 0.00 179.01 178.55 3ds2 h GLU 213 N 0.64 0.90 -0.36 1.92 5.08 -1.75 -1.28 114.58 119.72 3ds2 h GLU 213 Ca 0.27 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3ds2 h GLU 213 Cb 0.24 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3ds2 h GLU 213 CO -0.08 1.15 0.23 0.52 -1.00 0.00 0.00 179.01 179.84 3ds2 h MET 214 N 0.71 0.47 -0.74 2.33 2.86 -0.33 -1.59 114.93 118.63 3ds2 h MET 214 Ca 0.05 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 3ds2 h MET 214 Cb 1.02 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.54 3ds2 h MET 214 CO 0.10 0.31 0.48 0.52 1.06 0.00 0.00 176.91 179.38 3ds2 h MET 215 N 0.48 0.93 -0.84 1.72 2.86 -0.40 -0.98 114.93 118.70 3ds2 h MET 215 Ca 0.13 -0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.73 3ds2 h MET 215 Cb -0.05 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.35 3ds2 h MET 215 CO -0.03 0.62 0.56 1.15 1.06 0.00 0.00 176.91 180.26 3ds2 h THR 216 N 0.96 1.19 -0.02 2.22 2.02 -1.02 -0.91 112.91 117.35 3ds2 h THR 216 Ca 0.28 -0.38 -0.18 0.00 0.77 0.00 0.00 66.41 66.90 3ds2 h THR 216 Cb -0.05 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.33 3ds2 h THR 216 CO -0.08 0.20 -0.79 0.00 0.37 0.00 0.00 175.52 175.22 3ds2 h ALA 217 N 1.49 0.62 -0.17 6.16 0.00 -1.04 -3.26 119.26 123.05 3ds2 h ALA 217 Ca 0.32 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3ds2 h ALA 217 Cb -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3ds2 h ALA 217 CO -0.08 0.85 0.00 0.00 0.00 0.00 0.00 179.25 180.02 3ds2 s GLN 219 N -1.59 4.18 0.00 0.00 0.74 -0.38 -1.83 119.66 120.78 3ds2 s GLN 219 Ca 0.29 2.47 0.00 0.00 0.05 0.00 0.00 55.36 58.17 3ds2 s GLN 219 Cb 0.19 -3.04 0.00 0.00 1.10 0.00 0.00 33.01 31.26 3ds2 s GLN 219 CO 0.27 -0.52 0.00 0.41 -0.55 0.00 0.00 175.29 174.91 3ds2 n GLY 220 N 1.72 2.50 3.61 2.59 0.00 -1.26 -4.95 105.19 109.39 3ds2 n GLY 220 Ca 0.06 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.55 3ds2 n GLY 220 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ds2 n VAL 221 N -1.58 0.36 -0.34 1.61 0.31 -0.76 -4.67 118.33 113.25 3ds2 n VAL 221 Ca 0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 3ds2 n VAL 221 Cb 0.00 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 3ds2 n VAL 221 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ds2 n GLY 222 N 5.06 -1.73 0.51 2.92 0.00 -1.26 -4.64 105.19 106.05 3ds2 n GLY 222 Ca 0.30 -1.93 -0.03 0.00 0.00 0.00 0.00 46.02 44.36 3ds2 n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ds2 n GLY 223 N 0.00 1.95 0.01 -0.02 0.00 -0.56 -5.02 105.19 101.54 3ds2 n GLY 223 Ca 0.00 -2.14 0.14 0.00 0.00 0.00 0.00 46.02 44.02 3ds2 n GLY 223 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ds2 n PRO 224 N -1.16 0.12 0.00 1.61 -0.04 -1.26 -4.21 135.00 130.06 3ds2 n PRO 224 Ca 0.02 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3ds2 n PRO 224 Cb 0.08 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 3ds2 n PRO 224 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3ds2 n GLY 225 N 1.44 -1.16 0.29 0.55 0.00 -1.26 -4.57 105.19 100.49 3ds2 n GLY 225 Ca 0.09 -1.19 0.07 0.00 0.00 0.00 0.00 46.02 44.99 3ds2 n GLY 225 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ds2 n HIS 226 N -0.49 0.26 -0.05 1.61 8.25 -1.26 -4.68 115.22 118.86 3ds2 n HIS 226 Ca 0.00 -0.83 -0.16 0.00 -0.26 0.00 0.00 57.72 56.46 3ds2 n HIS 226 Cb 0.00 -0.16 -0.06 0.00 1.12 0.00 0.00 29.99 30.89 3ds2 n HIS 226 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3ds2 h LYS 227 N 0.58 0.84 -6.49 -0.41 1.79 -2.03 -3.45 116.57 107.40 3ds2 h LYS 227 Ca 0.00 -0.62 -0.53 0.00 -2.18 0.00 0.00 60.65 57.32 3ds2 h LYS 227 Cb 0.98 0.11 0.01 0.00 -1.58 0.00 0.00 32.23 31.75 3ds2 h LYS 227 CO 0.05 1.24 0.58 0.00 -1.08 0.00 0.00 179.45 180.24 3ds2 s ALA 228 N -3.91 3.41 -0.19 3.86 0.00 -1.26 -5.03 121.76 118.64 3ds2 s ALA 228 Ca -0.10 0.88 -0.24 0.00 0.00 0.00 0.00 51.96 52.49 3ds2 s ALA 228 Cb 0.09 -3.46 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 3ds2 s ALA 228 CO 0.90 -0.46 0.78 1.03 0.00 0.00 0.00 175.76 178.01 3ds2 s ARG 229 N 1.08 4.25 -0.15 0.00 0.52 -1.26 -4.93 118.95 118.45 3ds2 s ARG 229 Ca 0.59 0.89 -0.14 0.00 -0.52 0.00 0.00 55.73 56.56 3ds2 s ARG 229 Cb -0.30 -3.59 -0.24 0.00 0.52 0.00 0.00 34.95 31.34 3ds2 s ARG 229 CO 0.29 -0.35 0.33 0.28 0.02 0.00 0.00 175.30 175.87 3ds2 h VAL 230 N 5.24 0.78 -0.02 3.52 2.07 -1.99 -3.56 116.25 122.30 3ds2 h VAL 230 Ca -0.28 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 64.95 3ds2 h VAL 230 Cb 1.13 2.41 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 3ds2 h VAL 230 CO 0.83 0.64 0.00 0.18 0.02 0.00 0.00 177.57 179.24