#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ny9 n GLN 161 N 0.00 0.00 -0.93 -2.67 -0.06 -1.26 -5.15 117.38 107.31 1ny9 n GLN 161 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1ny9 n GLN 161 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 1ny9 n GLN 161 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 1ny9 n ARG 162 N -1.77 -2.26 -0.60 3.69 0.00 -1.26 -4.47 116.66 110.00 1ny9 n ARG 162 Ca 0.00 1.73 -0.24 0.00 -0.00 0.00 0.00 57.85 59.34 1ny9 n ARG 162 Cb 0.00 -1.76 -0.04 0.00 0.00 0.00 0.00 32.46 30.66 1ny9 n ARG 162 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 1ny9 n ILE 163 N 0.28 1.30 -0.02 5.15 3.06 -1.26 -3.85 119.36 124.02 1ny9 n ILE 163 Ca 0.00 -0.89 -0.04 0.00 -2.50 0.00 0.00 62.75 59.32 1ny9 n ILE 163 Cb 0.00 -1.99 -0.02 0.00 0.54 0.00 0.00 39.64 38.18 1ny9 n ILE 163 CO 0.00 0.00 0.00 1.67 -2.50 0.00 0.00 176.55 175.72 1ny9 n GLN 164 N 5.58 0.10 -0.25 9.51 0.00 -1.26 -4.56 117.38 126.49 1ny9 n GLN 164 Ca 0.34 0.04 0.05 0.00 -0.00 0.00 0.00 57.00 57.42 1ny9 n GLN 164 Cb 0.20 -0.79 0.28 0.00 0.00 0.00 0.00 30.24 29.94 1ny9 n GLN 164 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1ny9 h ASP 165 N -0.11 0.81 -0.17 1.69 3.32 -1.84 -1.16 116.42 118.96 1ny9 h ASP 165 Ca -0.11 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 1ny9 h ASP 165 Cb 1.11 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1ny9 h ASP 165 CO -0.05 0.53 0.09 -0.33 -1.72 0.00 0.00 179.24 177.76 1ny9 h GLU 166 N 0.92 0.23 -0.47 3.56 5.08 -1.86 0.10 114.58 122.15 1ny9 h GLU 166 Ca 0.35 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.67 1ny9 h GLU 166 Cb 0.19 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1ny9 h GLU 166 CO -0.12 0.24 0.26 0.00 -1.00 0.00 0.00 179.01 178.38 1ny9 h ALA 167 N 0.98 0.61 -0.20 3.43 0.00 -1.70 -2.24 119.26 120.14 1ny9 h ALA 167 Ca 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ny9 h ALA 167 Cb 0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ny9 h ALA 167 CO -0.01 0.13 0.06 -0.44 0.00 0.00 0.00 179.25 178.99 1ny9 h ASP 168 N 0.62 0.25 -0.27 0.00 5.19 -0.78 -0.18 116.42 121.25 1ny9 h ASP 168 Ca 0.17 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 1ny9 h ASP 168 Cb 0.06 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 1ny9 h ASP 168 CO -0.03 0.25 0.11 -0.33 -3.12 0.00 0.00 179.24 176.13 1ny9 h GLU 169 N 0.28 0.47 -0.28 3.56 4.39 -0.19 -2.13 114.58 120.68 1ny9 h GLU 169 Ca 0.07 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.65 1ny9 h GLU 169 Cb 0.10 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1ny9 h GLU 169 CO -0.01 0.41 -0.06 -0.07 -1.16 0.00 0.00 179.01 178.12 1ny9 h LEU 170 N 0.47 0.55 -0.07 1.33 3.38 -0.86 -0.03 115.31 120.08 1ny9 h LEU 170 Ca 0.12 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.76 1ny9 h LEU 170 Cb 0.13 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1ny9 h LEU 170 CO -0.01 0.78 -0.27 0.74 0.09 0.00 0.00 178.44 179.77 1ny9 h THR 171 N 0.30 0.37 -0.68 0.22 2.02 -0.97 2.18 112.91 116.35 1ny9 h THR 171 Ca 0.07 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.34 1ny9 h THR 171 Cb 0.54 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 67.28 1ny9 h THR 171 CO 0.03 0.00 0.45 -0.09 0.37 0.00 0.00 175.52 176.28 1ny9 h ARG 172 N -0.38 0.58 -0.08 6.66 2.43 -1.38 1.41 114.38 123.62 1ny9 h ARG 172 Ca 0.08 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1ny9 h ARG 172 Cb 0.50 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1ny9 h ARG 172 CO -0.28 0.38 -0.08 -0.09 -1.51 0.00 0.00 179.97 178.39 1ny9 h ARG 173 N 0.59 0.20 -0.17 0.20 2.43 0.19 0.28 114.38 118.10 1ny9 h ARG 173 Ca 0.31 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1ny9 h ARG 173 Cb 0.43 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1ny9 h ARG 173 CO -0.10 0.62 0.04 0.74 -1.51 0.00 0.00 179.97 179.76 1ny9 h PHE 174 N -0.22 0.29 -0.85 2.20 0.04 0.47 -2.66 116.94 116.21 1ny9 h PHE 174 Ca 0.01 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 1ny9 h PHE 174 Cb 0.59 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 38.61 1ny9 h PHE 174 CO 0.09 0.42 0.53 0.28 -0.60 0.00 0.00 178.31 179.02 1ny9 h VAL 175 N 0.08 1.23 -0.75 -0.55 2.07 0.19 0.96 116.25 119.47 1ny9 h VAL 175 Ca 0.05 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.19 1ny9 h VAL 175 Cb 0.28 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 1ny9 h VAL 175 CO 0.00 0.24 0.49 0.00 0.02 0.00 0.00 177.57 178.32 1ny9 h ALA 176 N 1.29 1.84 -0.45 1.67 0.00 -0.22 0.19 119.26 123.58 1ny9 h ALA 176 Ca 0.31 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.17 1ny9 h ALA 176 Cb -0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1ny9 h ALA 176 CO -0.06 -0.00 0.14 -0.07 0.00 0.00 0.00 179.25 179.25 1ny9 h LEU 177 N 0.64 0.65 -0.82 0.00 3.38 -0.50 -1.98 115.31 116.67 1ny9 h LEU 177 Ca 0.35 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.18 1ny9 h LEU 177 Cb 0.49 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 1ny9 h LEU 177 CO -0.12 0.69 0.49 0.24 0.09 0.00 0.00 178.44 179.82 1ny9 h MET 178 N 0.58 0.85 -0.77 1.13 2.86 0.18 0.21 114.93 119.97 1ny9 h MET 178 Ca 0.14 -0.05 0.12 0.00 -2.06 0.00 0.00 59.70 57.85 1ny9 h MET 178 Cb 0.27 -0.19 -0.08 0.00 0.06 0.00 0.00 31.60 31.66 1ny9 h MET 178 CO -0.00 0.56 0.37 0.22 1.06 0.00 0.00 176.91 179.12 1ny9 h ASP 179 N 0.88 0.45 1.25 1.22 3.58 -0.31 1.47 116.42 124.96 1ny9 h ASP 179 Ca 0.37 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.90 1ny9 h ASP 179 Cb 0.22 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.28 1ny9 h ASP 179 CO -0.19 0.22 0.00 0.00 -2.88 0.00 0.00 179.24 176.39 1ny9 h ALA 180 N 1.50 1.00 -5.40 -0.78 0.00 -0.88 -3.46 119.26 111.23 1ny9 h ALA 180 Ca 0.40 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.97 1ny9 h ALA 180 Cb 0.51 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.44 1ny9 h ALA 180 CO -0.33 0.00 -0.65 0.41 0.00 0.00 0.00 179.25 178.68 1ny9 n GLY 181 N 0.83 -0.37 3.74 0.00 0.00 0.50 -4.97 105.19 104.92 1ny9 n GLY 181 Ca 0.04 0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1ny9 n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ny9 s GLU 182 N -5.85 0.99 -0.11 1.61 2.02 -1.02 -4.97 118.70 111.37 1ny9 s GLU 182 Ca 0.34 0.47 -0.30 0.00 0.02 0.00 0.00 54.97 55.51 1ny9 s GLU 182 Cb -0.15 -1.81 -0.02 0.00 0.10 0.00 0.00 34.13 32.25 1ny9 s GLU 182 CO 0.67 -2.34 1.18 -1.25 0.02 0.00 0.00 175.26 173.54 1ny9 s PRO 183 N -5.11 4.32 0.39 0.39 0.04 -1.26 -4.85 135.00 128.92 1ny9 s PRO 183 Ca 0.64 1.61 0.15 0.00 0.04 0.00 0.00 61.00 63.44 1ny9 s PRO 183 Cb -0.17 -3.62 0.84 0.00 0.04 0.00 0.00 34.50 31.59 1ny9 s PRO 183 CO 0.55 -0.52 1.38 0.00 0.04 0.00 0.00 177.00 178.46 1ny9 h ALA 184 N 7.63 1.24 -0.33 8.56 0.00 -1.93 2.57 119.26 137.00 1ny9 h ALA 184 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1ny9 h ALA 184 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1ny9 h ALA 184 CO 0.91 -0.24 0.00 -3.47 0.00 0.00 0.00 179.25 176.45 1ny9 n ASP 185 N -2.19 3.13 -4.71 0.00 2.03 -1.26 -4.00 116.55 109.55 1ny9 n ASP 185 Ca -0.01 -2.36 -0.42 0.00 0.52 0.00 0.00 54.79 52.52 1ny9 n ASP 185 Cb 0.35 -0.51 -0.03 0.00 -0.72 0.00 0.00 41.12 40.21 1ny9 n ASP 185 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1ny9 s SER 186 N -0.56 6.88 0.31 1.67 0.15 0.86 -4.72 113.70 118.29 1ny9 s SER 186 Ca 0.28 2.24 0.08 0.00 0.70 0.00 0.00 55.95 59.25 1ny9 s SER 186 Cb 0.20 -2.58 0.86 0.00 -1.71 0.00 0.00 66.02 62.79 1ny9 s SER 186 CO 0.11 -0.63 1.68 -0.33 1.20 0.00 0.00 173.24 175.27 1ny9 h GLU 187 N 6.94 0.36 -0.12 5.44 4.39 -1.90 3.40 114.58 133.09 1ny9 h GLU 187 Ca -0.41 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.26 1ny9 h GLU 187 Cb 1.21 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 1ny9 h GLU 187 CO 0.86 0.24 0.05 0.78 -1.16 0.00 0.00 179.01 179.77 1ny9 h GLY 188 N 0.37 0.19 0.68 -3.84 0.00 -1.95 2.55 103.07 101.07 1ny9 h GLY 188 Ca 0.63 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 1ny9 h GLY 188 CO -0.57 0.10 -0.12 0.00 0.00 0.00 0.00 176.54 175.95 1ny9 h ALA 189 N 0.89 -0.34 -0.71 3.60 0.00 0.27 0.42 119.26 123.39 1ny9 h ALA 189 Ca 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ny9 h ALA 189 Cb 0.17 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1ny9 h ALA 189 CO -0.00 -0.53 0.46 0.52 0.00 0.00 0.00 179.25 179.70 1ny9 h MET 190 N -0.66 0.92 -0.83 0.00 2.07 0.60 0.79 114.93 117.82 1ny9 h MET 190 Ca -0.03 -0.06 0.06 0.00 -2.07 0.00 0.00 59.70 57.60 1ny9 h MET 190 Cb 0.46 -0.21 -0.05 0.00 -1.87 0.00 0.00 31.60 29.94 1ny9 h MET 190 CO 0.06 0.61 0.54 0.22 1.07 0.00 0.00 176.91 179.40 1ny9 h ASP 191 N 0.94 0.82 -0.54 1.22 1.82 0.45 0.97 116.42 122.11 1ny9 h ASP 191 Ca 0.26 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.86 1ny9 h ASP 191 Cb -0.09 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 39.72 1ny9 h ASP 191 CO -0.06 0.54 0.17 0.00 -1.61 0.00 0.00 179.24 178.27 1ny9 h ALA 192 N 1.54 0.70 -0.50 -0.78 0.00 0.18 0.47 119.26 120.86 1ny9 h ALA 192 Ca 0.35 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1ny9 h ALA 192 Cb 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1ny9 h ALA 192 CO -0.12 0.36 0.20 0.00 0.00 0.00 0.00 179.25 179.69 1ny9 h ALA 193 N 1.03 0.63 -0.16 0.00 0.00 0.53 2.26 119.26 123.56 1ny9 h ALA 193 Ca 0.17 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1ny9 h ALA 193 Cb 0.27 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1ny9 h ALA 193 CO -0.01 -0.18 0.04 1.49 0.00 0.00 0.00 179.25 180.59 1ny9 h GLU 194 N 0.40 0.10 -0.38 0.00 4.57 0.21 0.10 114.58 119.59 1ny9 h GLU 194 Ca 0.24 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.41 1ny9 h GLU 194 Cb 0.23 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.77 1ny9 h GLU 194 CO -0.22 0.07 0.21 0.22 -1.18 0.00 0.00 179.01 178.11 1ny9 h ASP 195 N 0.11 0.47 -0.04 1.04 1.82 0.14 -0.54 116.42 119.42 1ny9 h ASP 195 Ca 0.07 -0.08 0.03 0.00 -0.39 0.00 0.00 57.03 56.66 1ny9 h ASP 195 Cb 0.05 -0.12 -0.06 0.00 0.68 0.00 0.00 39.33 39.89 1ny9 h ASP 195 CO -0.09 0.41 -0.52 -0.74 -1.61 0.00 0.00 179.24 176.70 1ny9 h HIS 196 N 0.49 -1.52 -0.86 0.28 2.76 0.45 -0.88 115.15 115.87 1ny9 h HIS 196 Ca 0.13 0.05 0.10 0.00 -2.20 0.00 0.00 60.37 58.46 1ny9 h HIS 196 Cb 0.04 0.67 -0.08 0.00 1.55 0.00 0.00 27.41 29.59 1ny9 h HIS 196 CO -0.03 -0.55 0.51 -0.09 -1.30 0.00 0.00 177.93 176.46 1ny9 h ARG 197 N -0.63 0.81 -0.32 5.26 1.12 -0.62 -1.84 114.38 118.16 1ny9 h ARG 197 Ca 0.03 -0.05 0.03 0.00 -1.11 0.00 0.00 59.98 58.88 1ny9 h ARG 197 Cb 0.70 -0.18 -0.03 0.00 -0.01 0.00 0.00 29.97 30.45 1ny9 h ARG 197 CO -0.38 0.54 0.14 0.37 -3.11 0.00 0.00 179.97 177.53 1ny9 h GLN 198 N 0.84 0.29 -0.64 0.20 5.75 0.14 0.12 115.11 121.82 1ny9 h GLN 198 Ca 0.42 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 58.82 1ny9 h GLN 198 Cb 0.39 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 1ny9 h GLN 198 CO -0.25 0.19 0.08 0.78 -2.65 0.00 0.00 178.83 176.98 1ny9 h GLY 199 N 0.30 1.15 0.78 2.39 0.00 -0.63 0.65 103.07 107.71 1ny9 h GLY 199 Ca 0.14 -0.78 -0.04 0.00 0.00 0.00 0.00 47.33 46.65 1ny9 h GLY 199 CO -0.11 0.72 -0.37 -2.22 0.00 0.00 0.00 176.54 174.56 1ny9 h ILE 200 N 0.99 0.02 -0.75 2.60 2.04 -0.89 -2.63 117.51 118.90 1ny9 h ILE 200 Ca 0.19 -0.24 0.12 0.00 1.00 0.00 0.00 64.86 65.93 1ny9 h ILE 200 Cb 0.46 0.03 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 1ny9 h ILE 200 CO 0.02 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.66 1ny9 h ALA 201 N -1.24 1.94 0.00 1.87 0.00 -0.99 0.34 119.26 121.19 1ny9 h ALA 201 Ca -0.11 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1ny9 h ALA 201 Cb 0.79 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ny9 h ALA 201 CO 0.17 -0.12 -0.16 -0.09 0.00 0.00 0.00 179.25 179.06 1ny9 h ARG 202 N 0.55 0.00 0.03 0.00 2.43 -0.70 -1.76 114.38 114.93 1ny9 h ARG 202 Ca 0.35 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 59.31 1ny9 h ARG 202 Cb 0.63 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.17 1ny9 h ARG 202 CO -0.13 0.16 -0.98 -0.91 -1.51 0.00 0.00 179.97 176.60 1ny9 h ASN 203 N 0.00 0.26 0.00 -3.80 -0.26 -0.56 -3.43 115.58 107.79 1ny9 h ASN 203 Ca -0.00 -0.24 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 1ny9 h ASN 203 Cb 0.31 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.49 1ny9 h ASN 203 CO 0.02 1.09 0.00 1.41 -1.06 0.00 0.00 177.43 178.89 1ny9 n HIS 204 N -3.58 0.00 0.00 1.19 8.25 -0.74 -5.13 115.22 115.20 1ny9 n HIS 204 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1ny9 n HIS 204 Cb 0.88 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.99 1ny9 n HIS 204 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ny9 n TYR 205 N 0.00 0.00 -0.06 4.41 4.01 -0.74 -5.06 117.16 119.72 1ny9 n TYR 205 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1ny9 n TYR 205 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 38.99 1ny9 n TYR 205 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1ny9 h ASP 206 N 0.00 0.00 0.00 7.72 3.32 -1.99 -3.40 116.42 122.07 1ny9 h ASP 206 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1ny9 h ASP 206 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ny9 h ASP 206 CO 0.00 0.69 0.00 0.00 -1.72 0.00 0.00 179.24 178.21 1ny9 n GLY 208 N 0.00 0.89 0.42 0.00 0.00 -1.26 -4.72 105.19 100.52 1ny9 n GLY 208 Ca 0.00 -2.23 0.22 0.00 0.00 0.00 0.00 46.02 44.01 1ny9 n GLY 208 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ny9 h TYR 209 N 0.00 0.25 -0.11 1.61 0.05 -1.98 -0.74 116.97 116.05 1ny9 h TYR 209 Ca 0.00 0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1ny9 h TYR 209 Cb 0.00 -0.08 -0.00 0.00 1.01 0.00 0.00 36.73 37.66 1ny9 h TYR 209 CO 0.00 0.07 0.03 0.93 -1.05 0.00 0.00 178.16 178.14 1ny9 h GLU 210 N 0.19 0.17 -0.09 4.88 5.08 -2.00 -2.00 114.58 120.82 1ny9 h GLU 210 Ca 0.40 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1ny9 h GLU 210 Cb 1.28 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1ny9 h GLU 210 CO -0.08 0.34 0.04 1.98 -1.00 0.00 0.00 179.01 180.29 1ny9 h MET 211 N -0.03 0.12 -0.65 2.33 4.05 -1.43 -0.04 114.93 119.27 1ny9 h MET 211 Ca 0.03 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.38 1ny9 h MET 211 Cb 0.25 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 30.99 1ny9 h MET 211 CO 0.00 0.10 0.16 1.25 0.23 0.00 0.00 176.91 178.65 1ny9 h HIS 212 N 0.12 1.07 -0.38 1.39 6.17 -0.91 -2.00 115.15 120.61 1ny9 h HIS 212 Ca 0.03 -0.12 -0.02 0.00 0.71 0.00 0.00 60.37 60.97 1ny9 h HIS 212 Cb 0.02 -0.31 -0.02 0.00 2.52 0.00 0.00 27.41 29.62 1ny9 h HIS 212 CO 0.00 0.88 0.14 1.15 0.71 0.00 0.00 177.93 180.81 1ny9 h THR 213 N 0.98 1.15 -0.85 6.26 2.02 -0.32 -2.23 112.91 119.92 1ny9 h THR 213 Ca 0.21 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1ny9 h THR 213 Cb 0.34 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.43 1ny9 h THR 213 CO 0.00 0.18 0.47 0.00 0.37 0.00 0.00 175.52 176.54 1ny9 h LEU 215 N 1.18 0.78 -1.28 0.00 4.07 -1.32 -2.43 115.31 116.32 1ny9 h LEU 215 Ca 0.30 -0.21 0.22 0.00 0.08 0.00 0.00 57.88 58.27 1ny9 h LEU 215 Cb 0.02 -0.21 -0.09 0.00 1.08 0.00 0.00 40.66 41.46 1ny9 h LEU 215 CO -0.05 0.87 0.63 1.23 -1.08 0.00 0.00 178.44 180.04 1ny9 h GLY 216 N 0.98 1.32 0.93 0.83 0.00 -1.20 -0.22 103.07 105.71 1ny9 h GLY 216 Ca 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 1ny9 h GLY 216 CO 0.03 -0.08 -0.27 0.83 0.00 0.00 0.00 176.54 177.05 1ny9 h GLU 217 N 0.52 -0.69 -0.06 4.80 5.08 -1.40 -2.03 114.58 120.82 1ny9 h GLU 217 Ca 0.55 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.98 1ny9 h GLU 217 Cb 1.20 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 1ny9 h GLU 217 CO -0.29 -0.46 0.04 0.52 -1.00 0.00 0.00 179.01 177.82 1ny9 h MET 218 N -0.72 0.00 0.00 2.33 2.86 -1.14 4.25 114.93 122.52 1ny9 h MET 218 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ny9 h MET 218 Cb 0.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.23 1ny9 h MET 218 CO 0.08 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.71 1ny9 n TYR 219 N -4.47 0.00 0.00 -0.22 4.02 -0.55 -2.97 117.16 112.97 1ny9 n TYR 219 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 1ny9 n TYR 219 Cb 0.14 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.08 1ny9 n TYR 219 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1ny9 n VAL 220 N -1.39 0.00 0.71 -0.72 0.24 0.70 -4.47 118.33 113.40 1ny9 n VAL 220 Ca 0.03 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.45 1ny9 n VAL 220 Cb 0.07 0.00 0.48 0.00 -1.47 0.00 0.00 33.84 32.92 1ny9 n VAL 220 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ny9 n SER 221 N -1.42 0.40 -3.82 -1.34 7.64 1.37 -4.48 113.62 111.96 1ny9 n SER 221 Ca 0.00 0.55 -0.30 0.00 1.01 0.00 0.00 58.87 60.13 1ny9 n SER 221 Cb 0.00 -0.66 -0.14 0.00 -1.01 0.00 0.00 64.21 62.41 1ny9 n SER 221 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1ny9 s ASP 222 N -3.76 4.02 0.40 6.43 1.11 -1.22 -4.92 116.67 118.73 1ny9 s ASP 222 Ca 0.10 -2.57 0.12 0.00 0.18 0.00 0.00 52.55 50.39 1ny9 s ASP 222 Cb 0.14 -1.26 0.66 0.00 1.07 0.00 0.00 42.92 43.53 1ny9 s ASP 222 CO 0.50 -0.29 1.26 1.05 1.18 0.00 0.00 175.17 178.88 1ny9 h GLU 223 N 6.93 0.00 0.04 8.23 4.11 -1.84 0.12 114.58 132.17 1ny9 h GLU 223 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 1ny9 h GLU 223 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 1ny9 h GLU 223 CO 0.55 0.00 -0.02 0.00 0.07 0.00 0.00 179.01 179.61 1ny9 h ARG 224 N 0.00 -0.06 0.00 1.06 2.47 -1.92 -2.53 114.38 113.41 1ny9 h ARG 224 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1ny9 h ARG 224 Cb 0.88 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.21 1ny9 h ARG 224 CO 0.00 0.36 -0.00 0.74 0.56 0.00 0.00 179.97 181.62 1ny9 h PHE 225 N -0.49 -0.00 -0.67 3.04 0.04 -1.03 -3.19 116.94 114.64 1ny9 h PHE 225 Ca -0.01 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.88 1ny9 h PHE 225 Cb 0.44 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.47 1ny9 h PHE 225 CO 0.07 0.89 -0.34 1.15 -0.60 0.00 0.00 178.31 179.47 1ny9 h THR 226 N -0.96 0.14 -0.82 -1.55 2.02 -1.21 0.25 112.91 110.79 1ny9 h THR 226 Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1ny9 h THR 226 Cb 0.89 0.14 -0.08 0.00 -1.74 0.00 0.00 68.15 67.36 1ny9 h THR 226 CO 0.00 0.00 0.44 0.03 0.37 0.00 0.00 175.52 176.36 1ny9 h ARG 227 N -0.13 0.67 -0.02 6.66 3.08 -1.57 0.10 114.38 123.16 1ny9 h ARG 227 Ca 0.26 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.20 1ny9 h ARG 227 Cb 0.56 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ny9 h ARG 227 CO -0.74 0.44 -0.22 -0.97 -1.07 0.00 0.00 179.97 177.41 1ny9 h ASN 228 N 0.69 0.23 0.92 7.04 -0.00 -0.70 -2.41 115.58 121.35 1ny9 h ASN 228 Ca 0.42 -0.71 -0.04 0.00 -0.00 0.00 0.00 56.30 55.96 1ny9 h ASN 228 Cb 0.49 -0.07 0.01 0.00 -0.00 0.00 0.00 38.32 38.74 1ny9 h ASN 228 CO -0.30 0.91 -0.45 0.40 -0.00 0.00 0.00 177.43 178.00 1ny9 h ILE 229 N -0.43 0.00 0.00 2.57 2.04 -0.43 -2.75 117.51 118.51 1ny9 h ILE 229 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.84 1ny9 h ILE 229 Cb 0.93 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1ny9 h ILE 229 CO 0.05 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.53 1ny9 n ASP 230 N -5.34 0.29 -0.01 1.72 2.03 0.00 -2.72 116.55 112.51 1ny9 n ASP 230 Ca -0.15 0.60 0.08 0.00 0.52 0.00 0.00 54.79 55.84 1ny9 n ASP 230 Cb 0.49 -0.65 0.48 0.00 -0.72 0.00 0.00 41.12 40.72 1ny9 n ASP 230 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ny9 h ALA 231 N 2.18 1.89 -0.00 -1.67 0.00 -1.11 -0.09 119.26 120.46 1ny9 h ALA 231 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ny9 h ALA 231 Cb 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ny9 h ALA 231 CO 0.00 0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.28 1ny9 n ALA 232 N -2.50 2.60 -3.50 0.00 0.00 -1.10 -4.79 120.51 111.22 1ny9 n ALA 232 Ca 0.06 -0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.34 1ny9 n ALA 232 Cb 0.21 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 18.13 1ny9 n ALA 232 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ny9 s LYS 233 N -2.29 0.01 0.19 0.00 -0.14 -0.05 -5.11 119.74 112.34 1ny9 s LYS 233 Ca 0.38 0.01 -0.30 0.00 -1.36 0.00 0.00 55.97 54.70 1ny9 s LYS 233 Cb 0.21 0.00 -0.08 0.00 -1.68 0.00 0.00 37.83 36.28 1ny9 s LYS 233 CO 0.42 -0.00 1.20 -1.25 -0.76 0.00 0.00 175.35 174.96 1ny9 s PRO 234 N 1.31 4.49 0.00 -1.68 0.04 -1.23 -3.26 135.00 134.67 1ny9 s PRO 234 Ca -0.05 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.87 1ny9 s PRO 234 Cb -0.01 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1ny9 s PRO 234 CO -0.11 -0.09 0.00 0.41 0.04 0.00 0.00 177.00 177.25 1ny9 n GLY 235 N 2.18 2.96 0.37 0.56 0.00 -1.26 -4.86 105.19 105.14 1ny9 n GLY 235 Ca 0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.11 1ny9 n GLY 235 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1ny9 h LEU 236 N 0.00 0.97 0.45 0.99 8.10 -1.88 0.42 115.31 124.36 1ny9 h LEU 236 Ca 0.00 0.02 -0.01 0.00 0.11 0.00 0.00 57.88 58.00 1ny9 h LEU 236 Cb 0.00 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 40.03 1ny9 h LEU 236 CO 0.00 0.58 -0.32 0.00 -4.11 0.00 0.00 178.44 174.59 1ny9 h ALA 237 N 1.50 -0.77 -0.79 0.17 0.00 -1.89 0.79 119.26 118.27 1ny9 h ALA 237 Ca 0.45 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.26 1ny9 h ALA 237 Cb 0.30 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1ny9 h ALA 237 CO -0.20 -0.95 0.49 0.00 0.00 0.00 0.00 179.25 178.59 1ny9 h ALA 238 N -0.30 1.07 -0.21 0.00 0.00 -1.66 0.61 119.26 118.76 1ny9 h ALA 238 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ny9 h ALA 238 Cb 0.64 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ny9 h ALA 238 CO 0.02 0.25 0.05 -0.92 0.00 0.00 0.00 179.25 178.65 1ny9 h TYR 239 N 0.92 0.35 -0.37 0.00 5.03 -0.45 -2.45 116.97 119.99 1ny9 h TYR 239 Ca 0.34 -0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.65 1ny9 h TYR 239 Cb 0.11 -0.10 -0.04 0.00 1.55 0.00 0.00 36.73 38.25 1ny9 h TYR 239 CO -0.04 0.45 0.13 0.52 -1.32 0.00 0.00 178.16 177.90 1ny9 h MET 240 N 0.16 0.28 -0.74 1.82 2.86 0.13 -0.66 114.93 118.78 1ny9 h MET 240 Ca 0.07 -0.02 0.16 0.00 -2.06 0.00 0.00 59.70 57.85 1ny9 h MET 240 Cb 0.27 -0.06 -0.11 0.00 0.06 0.00 0.00 31.60 31.76 1ny9 h MET 240 CO 0.00 0.19 0.18 -0.09 1.06 0.00 0.00 176.91 178.25 1ny9 h ARG 241 N 0.29 0.26 -0.73 1.72 1.12 -0.69 0.88 114.38 117.22 1ny9 h ARG 241 Ca 0.17 -0.02 0.01 0.00 -1.11 0.00 0.00 59.98 59.03 1ny9 h ARG 241 Cb 0.14 -0.06 -0.04 0.00 -0.01 0.00 0.00 29.97 30.01 1ny9 h ARG 241 CO -0.17 0.17 0.49 -0.44 -3.11 0.00 0.00 179.97 176.90 1ny9 h ASP 242 N 0.27 0.84 -0.44 -3.80 3.32 -0.69 -2.45 116.42 113.46 1ny9 h ASP 242 Ca 0.42 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 1ny9 h ASP 242 Cb 0.73 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1ny9 h ASP 242 CO -0.52 0.60 0.27 0.00 -1.72 0.00 0.00 179.24 177.88 1ny9 h ALA 243 N 1.54 0.55 0.45 3.45 0.00 0.19 -2.74 119.26 122.71 1ny9 h ALA 243 Ca 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1ny9 h ALA 243 Cb -0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1ny9 h ALA 243 CO -0.06 0.03 -0.27 0.82 0.00 0.00 0.00 179.25 179.77 1ny9 h ILE 244 N 0.58 0.43 -0.39 0.00 2.04 -0.69 -2.66 117.51 116.82 1ny9 h ILE 244 Ca 0.16 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 1ny9 h ILE 244 Cb -0.02 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1ny9 h ILE 244 CO -0.03 0.00 0.23 -0.07 0.00 0.00 0.00 178.15 178.28 1ny9 h LEU 245 N -0.69 0.47 0.01 1.44 -0.00 -1.55 0.88 115.31 115.87 1ny9 h LEU 245 Ca -0.05 -0.06 0.01 0.00 -0.00 0.00 0.00 57.88 57.78 1ny9 h LEU 245 Cb 0.57 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.09 1ny9 h LEU 245 CO 0.06 0.40 -0.06 0.00 -0.00 0.00 0.00 178.44 178.83 1ny9 h ALA 246 N 1.10 -0.08 -0.32 1.53 0.00 -1.45 1.47 119.26 121.51 1ny9 h ALA 246 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1ny9 h ALA 246 Cb 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ny9 h ALA 246 CO -0.03 -0.56 0.19 -0.97 0.00 0.00 0.00 179.25 177.89 1ny9 h ASN 247 N -0.12 0.32 -0.17 0.00 -1.24 -1.37 -1.53 115.58 111.47 1ny9 h ASN 247 Ca 0.02 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 1ny9 h ASN 247 Cb 0.14 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.12 1ny9 h ASN 247 CO -0.06 0.23 0.08 0.00 -1.29 0.00 0.00 177.43 176.40 1ny9 h ALA 248 N 1.14 0.22 -0.54 1.57 0.00 -0.20 -2.71 119.26 118.74 1ny9 h ALA 248 Ca 0.13 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1ny9 h ALA 248 Cb -0.01 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.67 1ny9 h ALA 248 CO -0.05 -0.21 0.28 0.28 0.00 0.00 0.00 179.25 179.54 1ny9 h VAL 249 N 0.15 0.96 0.00 0.00 2.07 0.23 2.59 116.25 122.26 1ny9 h VAL 249 Ca 0.06 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1ny9 h VAL 249 Cb 0.12 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1ny9 h VAL 249 CO -0.01 0.10 -0.04 0.08 0.02 0.00 0.00 177.57 177.72 1ny9 h ARG 250 N 0.54 0.00 0.00 1.57 0.11 -1.15 -3.26 114.38 112.19 1ny9 h ARG 250 Ca 0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.32 1ny9 h ARG 250 Cb 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1ny9 h ARG 250 CO -0.16 0.04 -0.67 0.72 0.10 0.00 0.00 179.97 180.00 1ny9 n HIS 251 N -3.30 0.30 -1.28 4.08 8.25 0.12 -5.10 115.22 118.29 1ny9 n HIS 251 Ca -0.02 0.13 0.03 0.00 -0.26 0.00 0.00 57.72 57.60 1ny9 n HIS 251 Cb 0.19 -0.52 -0.01 0.00 1.12 0.00 0.00 29.99 30.77 1ny9 n HIS 251 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1ny9 n THR 252 N -4.15 -1.42 1.16 1.59 5.66 0.85 -5.09 114.28 112.88 1ny9 n THR 252 Ca -0.09 0.78 0.09 0.00 -3.05 0.00 0.00 64.05 61.78 1ny9 n THR 252 Cb 0.35 -1.28 0.55 0.00 -1.55 0.00 0.00 70.33 68.40 1ny9 n THR 252 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21