#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 -1.78 -1.76 -0.99 7.27 -1.26 -4.86 117.38 114.01 1ny9 n GLN 161 Ca 0.00 0.65 -0.41 0.00 0.07 0.00 0.00 57.00 57.30 1ny9 n GLN 161 Cb 0.00 -4.92 -0.01 0.00 2.41 0.00 0.00 30.24 27.72 1ny9 n GLN 161 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1ny9 n ARG 162 N -3.76 2.69 -0.89 3.69 1.74 -1.26 -4.82 116.66 114.05 1ny9 n ARG 162 Ca -0.09 0.95 -0.10 0.00 -0.77 0.00 0.00 57.85 57.84 1ny9 n ARG 162 Cb 0.61 -2.71 -0.14 0.00 -1.02 0.00 0.00 32.46 29.19 1ny9 n ARG 162 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1ny9 n ILE 163 N 1.48 2.70 -0.02 0.55 2.08 -1.26 -3.79 119.36 121.10 1ny9 n ILE 163 Ca 0.06 -1.31 -0.05 0.00 0.56 0.00 0.00 62.75 62.01 1ny9 n ILE 163 Cb 0.37 -1.92 -0.02 0.00 -0.75 0.00 0.00 39.64 37.33 1ny9 n ILE 163 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1ny9 n GLN 164 N 2.45 0.09 -0.29 0.38 6.02 -1.26 -4.47 117.38 120.30 1ny9 n GLN 164 Ca 0.36 0.04 -0.01 0.00 -0.01 0.00 0.00 57.00 57.38 1ny9 n GLN 164 Cb 0.82 -0.66 0.11 0.00 1.02 0.00 0.00 30.24 31.53 1ny9 n GLN 164 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1ny9 h ASP 165 N -0.15 0.82 -0.28 1.08 5.19 -1.98 0.77 116.42 121.87 1ny9 h ASP 165 Ca -0.11 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1ny9 h ASP 165 Cb 1.10 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 1ny9 h ASP 165 CO -0.06 0.55 0.16 -0.33 -3.12 0.00 0.00 179.24 176.43 1ny9 h GLU 166 N 0.96 0.39 -0.40 3.56 5.08 -1.84 0.13 114.58 122.45 1ny9 h GLU 166 Ca 0.34 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 1ny9 h GLU 166 Cb 0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1ny9 h GLU 166 CO -0.14 0.33 0.21 0.00 -1.00 0.00 0.00 179.01 178.42 1ny9 h ALA 167 N 1.04 0.52 -0.17 3.43 0.00 -1.68 -2.36 119.26 120.04 1ny9 h ALA 167 Ca 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ny9 h ALA 167 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ny9 h ALA 167 CO -0.02 0.06 0.04 -0.44 0.00 0.00 0.00 179.25 178.90 1ny9 h ASP 168 N 0.52 0.21 -0.23 0.00 5.19 -0.35 -0.25 116.42 121.50 1ny9 h ASP 168 Ca 0.14 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 1ny9 h ASP 168 Cb 0.08 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.52 1ny9 h ASP 168 CO -0.02 0.22 0.10 -0.33 -3.12 0.00 0.00 179.24 176.09 1ny9 h GLU 169 N 0.24 0.41 -0.31 3.56 5.08 -0.21 -2.01 114.58 121.34 1ny9 h GLU 169 Ca 0.06 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1ny9 h GLU 169 Cb 0.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1ny9 h GLU 169 CO -0.00 0.35 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.20 1ny9 h LEU 170 N 0.41 0.62 -0.05 1.33 3.38 -0.90 -0.91 115.31 119.19 1ny9 h LEU 170 Ca 0.10 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.73 1ny9 h LEU 170 Cb 0.11 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1ny9 h LEU 170 CO -0.01 0.85 -0.28 0.74 0.09 0.00 0.00 178.44 179.83 1ny9 h THR 171 N 0.37 0.36 -0.61 0.22 2.02 -1.03 1.81 112.91 116.05 1ny9 h THR 171 Ca 0.08 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.34 1ny9 h THR 171 Cb 0.59 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.32 1ny9 h THR 171 CO 0.03 0.00 0.41 -0.09 0.37 0.00 0.00 175.52 176.24 1ny9 h ARG 172 N -0.40 0.48 -0.09 6.66 2.43 -1.43 1.08 114.38 123.10 1ny9 h ARG 172 Ca 0.08 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1ny9 h ARG 172 Cb 0.51 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1ny9 h ARG 172 CO -0.28 0.31 -0.11 -0.09 -1.51 0.00 0.00 179.97 178.30 1ny9 h ARG 173 N 0.49 0.24 -0.27 0.20 1.12 0.12 0.25 114.38 116.53 1ny9 h ARG 173 Ca 0.28 -0.13 -0.03 0.00 -1.11 0.00 0.00 59.98 58.99 1ny9 h ARG 173 Cb 0.44 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.40 1ny9 h ARG 173 CO -0.08 0.67 0.05 0.74 -3.11 0.00 0.00 179.97 178.24 1ny9 h PHE 174 N -0.19 0.47 -0.92 2.20 0.04 0.40 -2.49 116.94 116.45 1ny9 h PHE 174 Ca 0.01 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.73 1ny9 h PHE 174 Cb 0.63 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.61 1ny9 h PHE 174 CO 0.09 0.53 0.59 0.28 -0.60 0.00 0.00 178.31 179.20 1ny9 h VAL 175 N 0.26 1.24 -0.82 -0.55 2.07 0.11 0.16 116.25 118.73 1ny9 h VAL 175 Ca 0.08 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.22 1ny9 h VAL 175 Cb 0.31 -0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 29.94 1ny9 h VAL 175 CO 0.00 0.24 0.53 0.00 0.02 0.00 0.00 177.57 178.37 1ny9 h ALA 176 N 1.32 1.73 -0.42 1.67 0.00 -0.18 0.11 119.26 123.49 1ny9 h ALA 176 Ca 0.33 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1ny9 h ALA 176 Cb -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1ny9 h ALA 176 CO -0.07 0.11 0.14 -0.07 0.00 0.00 0.00 179.25 179.36 1ny9 h LEU 177 N 0.77 0.60 -0.87 0.00 3.38 -0.29 -1.97 115.31 116.94 1ny9 h LEU 177 Ca 0.38 -0.19 0.08 0.00 0.09 0.00 0.00 57.88 58.23 1ny9 h LEU 177 Cb 0.43 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.96 1ny9 h LEU 177 CO -0.15 0.63 0.53 0.24 0.09 0.00 0.00 178.44 179.78 1ny9 h MET 178 N 0.53 0.90 -0.94 1.13 2.86 0.19 0.04 114.93 119.64 1ny9 h MET 178 Ca 0.14 -0.05 0.13 0.00 -2.06 0.00 0.00 59.70 57.85 1ny9 h MET 178 Cb 0.24 -0.20 -0.09 0.00 0.06 0.00 0.00 31.60 31.61 1ny9 h MET 178 CO -0.01 0.59 0.57 0.22 1.06 0.00 0.00 176.91 179.35 1ny9 h ASP 179 N 0.93 0.80 1.28 1.22 1.82 -0.30 0.95 116.42 123.11 1ny9 h ASP 179 Ca 0.40 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 57.10 1ny9 h ASP 179 Cb 0.26 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.18 1ny9 h ASP 179 CO -0.21 0.40 0.00 0.00 -1.61 0.00 0.00 179.24 177.83 1ny9 h ALA 180 N 1.54 1.00 -4.83 -0.78 0.00 -0.79 -3.46 119.26 111.94 1ny9 h ALA 180 Ca 0.48 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 55.03 1ny9 h ALA 180 Cb 0.54 0.00 0.10 0.00 0.00 0.00 0.00 17.79 18.43 1ny9 h ALA 180 CO -0.29 0.00 -0.58 0.41 0.00 0.00 0.00 179.25 178.79 1ny9 n GLY 181 N 0.77 -0.39 3.76 0.00 0.00 0.33 -4.96 105.19 104.70 1ny9 n GLY 181 Ca 0.04 0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1ny9 n GLY 181 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ny9 s GLU 182 N -5.95 1.53 -0.10 1.61 4.04 -1.17 -4.97 118.70 113.70 1ny9 s GLU 182 Ca 0.43 0.68 -0.30 0.00 0.04 0.00 0.00 54.97 55.83 1ny9 s GLU 182 Cb -0.19 -1.85 -0.02 0.00 0.02 0.00 0.00 34.13 32.09 1ny9 s GLU 182 CO 0.53 -2.02 1.20 -1.25 -1.84 0.00 0.00 175.26 171.89 1ny9 s PRO 183 N -5.05 4.32 0.40 -4.83 0.04 -1.26 -4.84 135.00 123.77 1ny9 s PRO 183 Ca 0.62 1.64 0.16 0.00 0.04 0.00 0.00 61.00 63.47 1ny9 s PRO 183 Cb -0.16 -3.62 0.87 0.00 0.04 0.00 0.00 34.50 31.62 1ny9 s PRO 183 CO 0.56 -0.53 1.41 0.00 0.04 0.00 0.00 177.00 178.48 1ny9 h ALA 184 N 7.66 1.24 -0.33 8.56 0.00 -1.94 2.57 119.26 137.03 1ny9 h ALA 184 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ny9 h ALA 184 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 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 -2.22 2.98 -4.71 0.00 -0.08 -1.26 -3.98 116.55 107.28 1ny9 n ASP 185 Ca -0.01 -2.32 -0.42 0.00 -1.51 0.00 0.00 54.79 50.53 1ny9 n ASP 185 Cb 0.35 -0.48 -0.03 0.00 2.34 0.00 0.00 41.12 43.30 1ny9 n ASP 185 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1ny9 s SER 186 N -0.60 6.87 0.30 1.67 0.15 0.86 -4.72 113.70 118.23 1ny9 s SER 186 Ca 0.27 2.25 0.06 0.00 0.70 0.00 0.00 55.95 59.23 1ny9 s SER 186 Cb 0.19 -2.58 0.82 0.00 -1.71 0.00 0.00 66.02 62.74 1ny9 s SER 186 CO 0.11 -0.63 1.67 -0.08 1.20 0.00 0.00 173.24 175.51 1ny9 h GLU 187 N 6.96 0.31 -0.16 5.44 4.81 -1.90 3.44 114.58 133.48 1ny9 h GLU 187 Ca -0.41 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1ny9 h GLU 187 Cb 1.21 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 1ny9 h GLU 187 CO 0.86 0.20 0.06 0.78 -0.73 0.00 0.00 179.01 180.19 1ny9 h GLY 188 N 0.32 0.26 0.68 1.92 0.00 -1.95 2.65 103.07 106.95 1ny9 h GLY 188 Ca 0.61 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 1ny9 h GLY 188 CO -0.60 0.14 -0.10 0.00 0.00 0.00 0.00 176.54 175.98 1ny9 h ALA 189 N 0.90 -0.28 -0.76 3.60 0.00 0.21 0.15 119.26 123.07 1ny9 h ALA 189 Ca 0.05 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ny9 h ALA 189 Cb 0.18 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1ny9 h ALA 189 CO -0.00 -0.50 0.50 0.52 0.00 0.00 0.00 179.25 179.77 1ny9 h MET 190 N -0.61 0.98 -0.72 0.00 2.07 0.61 0.58 114.93 117.83 1ny9 h MET 190 Ca -0.03 -0.06 0.05 0.00 -2.07 0.00 0.00 59.70 57.60 1ny9 h MET 190 Cb 0.44 -0.22 -0.04 0.00 -1.87 0.00 0.00 31.60 29.91 1ny9 h MET 190 CO 0.05 0.65 0.47 0.22 1.07 0.00 0.00 176.91 179.37 1ny9 h ASP 191 N 1.01 0.69 -0.60 1.22 3.58 0.48 0.63 116.42 123.43 1ny9 h ASP 191 Ca 0.29 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.70 1ny9 h ASP 191 Cb -0.08 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.79 1ny9 h ASP 191 CO -0.08 0.45 0.22 0.00 -2.88 0.00 0.00 179.24 176.96 1ny9 h ALA 192 N 1.60 0.78 -0.70 -0.78 0.00 0.27 0.13 119.26 120.57 1ny9 h ALA 192 Ca 0.30 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1ny9 h ALA 192 Cb 0.20 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 1ny9 h ALA 192 CO -0.10 0.42 0.36 0.00 0.00 0.00 0.00 179.25 179.94 1ny9 h ALA 193 N 1.08 0.96 -0.43 0.00 0.00 0.48 1.24 119.26 122.59 1ny9 h ALA 193 Ca 0.20 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1ny9 h ALA 193 Cb 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1ny9 h ALA 193 CO -0.01 -0.01 0.23 1.49 0.00 0.00 0.00 179.25 180.95 1ny9 h GLU 194 N 0.64 0.46 -0.35 0.00 4.57 0.14 -0.01 114.58 120.02 1ny9 h GLU 194 Ca 0.34 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 1ny9 h GLU 194 Cb 0.31 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1ny9 h GLU 194 CO -0.24 0.30 0.20 0.22 -1.18 0.00 0.00 179.01 178.31 1ny9 h ASP 195 N 0.47 0.43 -0.07 1.04 1.82 0.18 -0.30 116.42 120.00 1ny9 h ASP 195 Ca 0.18 -0.08 0.03 0.00 -0.39 0.00 0.00 57.03 56.77 1ny9 h ASP 195 Cb 0.06 -0.11 -0.06 0.00 0.68 0.00 0.00 39.33 39.90 1ny9 h ASP 195 CO -0.11 0.39 -0.52 -0.74 -1.61 0.00 0.00 179.24 176.65 1ny9 h HIS 196 N 0.44 -1.54 -0.79 0.28 2.76 0.24 0.00 115.15 116.55 1ny9 h HIS 196 Ca 0.12 0.05 0.10 0.00 -2.20 0.00 0.00 60.37 58.44 1ny9 h HIS 196 Cb 0.05 0.68 -0.07 0.00 1.55 0.00 0.00 27.41 29.62 1ny9 h HIS 196 CO -0.03 -0.55 0.43 -0.09 -1.30 0.00 0.00 177.93 176.39 1ny9 h ARG 197 N -0.62 0.71 -0.60 5.26 2.43 -0.84 -1.93 114.38 118.80 1ny9 h ARG 197 Ca 0.03 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1ny9 h ARG 197 Cb 0.70 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 1ny9 h ARG 197 CO -0.39 0.47 0.36 0.37 -1.51 0.00 0.00 179.97 179.26 1ny9 h GLN 198 N 0.73 0.69 -0.74 0.20 5.75 0.31 -1.22 115.11 120.83 1ny9 h GLN 198 Ca 0.38 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.79 1ny9 h GLN 198 Cb 0.37 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 1ny9 h GLN 198 CO -0.26 0.46 0.25 0.78 -2.65 0.00 0.00 178.83 177.41 1ny9 h GLY 199 N 0.71 1.21 0.79 2.39 0.00 -0.30 -0.03 103.07 107.84 1ny9 h GLY 199 Ca 0.24 -0.69 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 1ny9 h GLY 199 CO -0.11 0.64 -0.33 -2.22 0.00 0.00 0.00 176.54 174.53 1ny9 h ILE 200 N 1.09 0.17 -0.74 2.60 2.04 -0.89 -2.67 117.51 119.10 1ny9 h ILE 200 Ca 0.24 -0.26 0.13 0.00 1.00 0.00 0.00 64.86 65.97 1ny9 h ILE 200 Cb 0.27 0.22 -0.05 0.00 -0.74 0.00 0.00 36.82 36.52 1ny9 h ILE 200 CO -0.01 0.02 0.49 0.00 0.00 0.00 0.00 178.15 178.65 1ny9 h ALA 201 N -0.99 2.04 -0.41 1.87 0.00 -1.19 0.51 119.26 121.08 1ny9 h ALA 201 Ca -0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ny9 h ALA 201 Cb 0.73 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1ny9 h ALA 201 CO 0.15 -0.23 0.16 -0.09 0.00 0.00 0.00 179.25 179.25 1ny9 h ARG 202 N 0.47 0.61 0.19 0.00 9.65 -0.80 -3.17 114.38 121.32 1ny9 h ARG 202 Ca 0.36 -0.11 -0.26 0.00 -1.10 0.00 0.00 59.98 58.87 1ny9 h ARG 202 Cb 0.74 -0.10 0.03 0.00 -1.39 0.00 0.00 29.97 29.25 1ny9 h ARG 202 CO -0.12 0.57 -1.18 -0.97 2.80 0.00 0.00 179.97 181.08 1ny9 h ASN 203 N 0.51 0.61 -4.02 -3.80 -1.24 -1.01 -3.46 115.58 103.18 1ny9 h ASN 203 Ca 0.14 -0.93 -0.49 0.00 0.71 0.00 0.00 56.30 55.72 1ny9 h ASN 203 Cb 0.19 -0.20 0.03 0.00 0.73 0.00 0.00 38.32 39.07 1ny9 h ASN 203 CO -0.01 1.56 0.28 -1.00 -1.29 0.00 0.00 177.43 176.97 1ny9 s HIS 204 N -2.50 3.51 0.20 0.67 3.76 0.17 -4.96 115.29 116.15 1ny9 s HIS 204 Ca -0.13 1.23 -0.12 0.00 -0.15 0.00 0.00 55.06 55.90 1ny9 s HIS 204 Cb 0.03 -2.62 0.25 0.00 1.11 0.00 0.00 32.58 31.34 1ny9 s HIS 204 CO 0.87 -0.37 1.69 -0.92 -0.85 0.00 0.00 174.74 175.17 1ny9 h TYR 205 N 0.62 0.09 -2.18 1.40 5.03 -1.87 -3.42 116.97 116.65 1ny9 h TYR 205 Ca -0.46 0.04 0.02 0.00 2.58 0.00 0.00 58.73 60.90 1ny9 h TYR 205 Cb 1.19 0.05 -0.18 0.00 1.55 0.00 0.00 36.73 39.34 1ny9 h TYR 205 CO 0.63 -0.07 0.35 0.16 -1.32 0.00 0.00 178.16 177.90 1ny9 s ASP 206 N -5.27 -0.51 -0.19 -2.11 -4.77 -1.26 -4.94 116.67 97.62 1ny9 s ASP 206 Ca -0.13 0.33 -0.07 0.00 -3.30 0.00 0.00 52.55 49.38 1ny9 s ASP 206 Cb 0.17 0.46 0.09 0.00 -1.09 0.00 0.00 42.92 42.55 1ny9 s ASP 206 CO 0.73 -0.63 0.40 0.00 0.70 0.00 0.00 175.17 176.37 1ny9 s GLY 208 N 2.54 1.64 0.47 0.00 0.00 -1.26 -4.84 107.32 105.87 1ny9 s GLY 208 Ca -0.02 -1.37 0.22 0.00 0.00 0.00 0.00 44.72 43.55 1ny9 s GLY 208 CO -0.12 -1.24 1.89 -0.97 0.00 0.00 0.00 173.10 172.66 1ny9 h TYR 209 N 0.69 0.32 -0.03 1.90 0.05 -1.99 0.19 116.97 118.09 1ny9 h TYR 209 Ca -0.45 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.34 1ny9 h TYR 209 Cb 1.26 -0.10 -0.00 0.00 1.01 0.00 0.00 36.73 38.90 1ny9 h TYR 209 CO 0.42 0.09 0.01 0.93 -1.05 0.00 0.00 178.16 178.56 1ny9 h GLU 210 N 0.25 0.05 -0.22 4.88 4.39 -1.99 -0.89 114.58 121.05 1ny9 h GLU 210 Ca 0.41 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 1ny9 h GLU 210 Cb 1.23 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 1ny9 h GLU 210 CO -0.10 0.28 0.10 1.98 -1.16 0.00 0.00 179.01 180.10 1ny9 h MET 211 N -0.18 0.29 -0.64 2.33 4.05 -1.09 0.23 114.93 119.93 1ny9 h MET 211 Ca 0.01 -0.03 -0.07 0.00 -0.28 0.00 0.00 59.70 59.33 1ny9 h MET 211 Cb 0.25 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1ny9 h MET 211 CO 0.00 0.24 0.12 1.25 0.23 0.00 0.00 176.91 178.74 1ny9 h HIS 212 N 0.30 1.08 -0.29 1.39 6.17 -0.42 -1.85 115.15 121.52 1ny9 h HIS 212 Ca 0.08 -0.13 -0.02 0.00 0.71 0.00 0.00 60.37 61.00 1ny9 h HIS 212 Cb 0.04 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 29.66 1ny9 h HIS 212 CO 0.00 0.90 0.08 1.15 0.71 0.00 0.00 177.93 180.78 1ny9 h THR 213 N 0.97 1.14 -0.71 6.26 2.02 0.43 -2.40 112.91 120.61 1ny9 h THR 213 Ca 0.20 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1ny9 h THR 213 Cb 0.40 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.60 1ny9 h THR 213 CO 0.01 0.17 0.39 0.00 0.37 0.00 0.00 175.52 176.46 1ny9 h LEU 215 N 0.99 0.73 -1.33 0.00 4.07 -1.38 -2.10 115.31 116.29 1ny9 h LEU 215 Ca 0.25 -0.16 0.22 0.00 0.08 0.00 0.00 57.88 58.27 1ny9 h LEU 215 Cb 0.02 -0.19 -0.09 0.00 1.08 0.00 0.00 40.66 41.48 1ny9 h LEU 215 CO -0.04 0.78 0.63 1.23 -1.08 0.00 0.00 178.44 179.95 1ny9 h GLY 216 N 0.96 1.23 0.93 0.83 0.00 -1.32 -0.48 103.07 105.21 1ny9 h GLY 216 Ca 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1ny9 h GLY 216 CO 0.01 -0.06 -0.28 0.83 0.00 0.00 0.00 176.54 177.04 1ny9 h GLU 217 N 0.50 -0.71 -0.07 4.80 5.08 -1.38 -2.10 114.58 120.71 1ny9 h GLU 217 Ca 0.54 0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.97 1ny9 h GLU 217 Cb 1.21 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 1ny9 h GLU 217 CO -0.27 -0.47 0.05 0.52 -1.00 0.00 0.00 179.01 177.83 1ny9 h MET 218 N -0.74 0.00 0.00 2.33 2.86 -1.18 4.34 114.93 122.53 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 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 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 -4.51 0.00 0.00 -0.22 4.02 -0.63 -3.30 117.16 112.52 1ny9 n TYR 219 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.88 1ny9 n TYR 219 Cb 0.16 -0.35 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 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 -1.35 0.00 0.55 -0.72 0.24 0.80 -4.45 118.33 113.40 1ny9 n VAL 220 Ca 0.02 0.00 0.13 0.00 -2.04 0.00 0.00 64.34 62.45 1ny9 n VAL 220 Cb 0.05 0.00 0.43 0.00 -1.47 0.00 0.00 33.84 32.85 1ny9 n VAL 220 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1ny9 n SER 221 N -1.32 0.81 -3.80 -1.34 3.41 1.39 -4.47 113.62 108.31 1ny9 n SER 221 Ca 0.00 0.61 -0.30 0.00 -0.26 0.00 0.00 58.87 58.92 1ny9 n SER 221 Cb 0.00 -0.81 -0.13 0.00 -0.26 0.00 0.00 64.21 63.00 1ny9 n SER 221 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1ny9 s ASP 222 N -4.53 3.90 0.40 4.04 1.11 -1.21 -4.93 116.67 115.47 1ny9 s ASP 222 Ca 0.09 -2.74 0.13 0.00 0.18 0.00 0.00 52.55 50.20 1ny9 s ASP 222 Cb 0.11 -1.25 0.69 0.00 1.07 0.00 0.00 42.92 43.54 1ny9 s ASP 222 CO 0.54 -0.26 1.28 -0.33 1.18 0.00 0.00 175.17 177.59 1ny9 h GLU 223 N 6.68 0.00 0.09 8.23 3.07 -1.83 0.00 114.58 130.83 1ny9 h GLU 223 Ca -0.04 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1ny9 h GLU 223 Cb 0.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1ny9 h GLU 223 CO 0.56 0.00 -0.04 0.00 -1.40 0.00 0.00 179.01 178.12 1ny9 h ARG 224 N 0.00 -0.12 0.01 2.33 3.08 -1.92 -2.19 114.38 115.56 1ny9 h ARG 224 Ca 0.00 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1ny9 h ARG 224 Cb 0.86 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1ny9 h ARG 224 CO 0.00 0.27 -0.00 0.74 -1.07 0.00 0.00 179.97 179.90 1ny9 h PHE 225 N -0.54 -0.01 -0.68 3.04 -1.00 -1.27 -3.21 116.94 113.27 1ny9 h PHE 225 Ca -0.01 -0.00 0.13 0.00 2.81 0.00 0.00 57.97 60.89 1ny9 h PHE 225 Cb 0.44 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 39.88 1ny9 h PHE 225 CO 0.06 0.83 -0.28 1.15 -1.61 0.00 0.00 178.31 178.45 1ny9 h THR 226 N -0.88 0.19 -0.86 -1.55 2.02 -1.39 0.15 112.91 110.59 1ny9 h THR 226 Ca -0.00 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.31 1ny9 h THR 226 Cb 0.84 0.19 -0.09 0.00 -1.74 0.00 0.00 68.15 67.35 1ny9 h THR 226 CO 0.00 0.00 0.47 0.03 0.37 0.00 0.00 175.52 176.39 1ny9 h ARG 227 N -0.09 0.69 -0.02 6.66 3.08 -1.49 0.56 114.38 123.77 1ny9 h ARG 227 Ca 0.29 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.24 1ny9 h ARG 227 Cb 0.55 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1ny9 h ARG 227 CO -0.74 0.46 -0.22 -0.91 -1.07 0.00 0.00 179.97 177.49 1ny9 h ASN 228 N 0.71 0.23 0.95 7.04 2.35 -0.80 -2.46 115.58 123.60 1ny9 h ASN 228 Ca 0.45 -0.71 -0.05 0.00 -0.55 0.00 0.00 56.30 55.44 1ny9 h ASN 228 Cb 0.55 -0.07 0.01 0.00 0.05 0.00 0.00 38.32 38.86 1ny9 h ASN 228 CO -0.32 0.90 -0.46 0.40 -1.65 0.00 0.00 177.43 176.31 1ny9 h ILE 229 N -0.42 0.00 0.00 2.81 2.04 -0.75 -2.74 117.51 118.44 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 0.91 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1ny9 h ILE 229 CO 0.04 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.52 1ny9 n ASP 230 N -5.43 0.28 -0.07 1.72 2.03 0.17 -2.63 116.55 112.62 1ny9 n ASP 230 Ca -0.16 0.60 0.07 0.00 0.52 0.00 0.00 54.79 55.82 1ny9 n ASP 230 Cb 0.50 -0.65 0.43 0.00 -0.72 0.00 0.00 41.12 40.68 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 1.79 -0.00 -1.67 0.00 -1.11 -0.32 119.26 120.12 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 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ny9 h ALA 231 CO 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 179.25 179.38 1ny9 n ALA 232 N -2.48 2.61 -3.43 0.00 0.00 -1.08 -4.79 120.51 111.34 1ny9 n ALA 232 Ca 0.07 -0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.35 1ny9 n ALA 232 Cb 0.18 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.28 0.01 0.18 0.00 -0.14 -0.13 -5.11 119.74 112.27 1ny9 s LYS 233 Ca 0.38 0.02 -0.30 0.00 -1.36 0.00 0.00 55.97 54.71 1ny9 s LYS 233 Cb 0.21 0.01 -0.08 0.00 -1.68 0.00 0.00 37.83 36.29 1ny9 s LYS 233 CO 0.42 -0.00 1.18 -1.25 -0.76 0.00 0.00 175.35 174.93 1ny9 s PRO 234 N 1.45 4.51 0.00 -1.68 0.04 -1.22 -3.28 135.00 134.81 1ny9 s PRO 234 Ca -0.04 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.84 1ny9 s PRO 234 Cb -0.01 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1ny9 s PRO 234 CO -0.12 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.26 1ny9 n GLY 235 N 2.20 2.74 0.37 0.56 0.00 -1.26 -4.86 105.19 104.93 1ny9 n GLY 235 Ca 0.04 0.00 0.04 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 0.99 0.45 0.99 8.10 -1.88 0.70 115.31 124.66 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 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.02 1ny9 h LEU 236 CO 0.00 0.60 -0.32 0.00 -4.11 0.00 0.00 178.44 174.61 1ny9 h ALA 237 N 1.49 -0.76 -0.81 0.17 0.00 -1.89 0.72 119.26 118.18 1ny9 h ALA 237 Ca 0.45 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.27 1ny9 h ALA 237 Cb 0.29 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 1ny9 h ALA 237 CO -0.20 -0.95 0.50 0.00 0.00 0.00 0.00 179.25 178.60 1ny9 h ALA 238 N -0.29 1.09 -0.18 0.00 0.00 -1.65 0.02 119.26 118.24 1ny9 h ALA 238 Ca -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1ny9 h ALA 238 Cb 0.64 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ny9 h ALA 238 CO 0.01 0.28 0.04 -0.92 0.00 0.00 0.00 179.25 178.66 1ny9 h TYR 239 N 0.95 0.30 -0.43 0.00 5.03 -0.39 -2.46 116.97 119.97 1ny9 h TYR 239 Ca 0.34 -0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.66 1ny9 h TYR 239 Cb 0.10 -0.08 -0.05 0.00 1.55 0.00 0.00 36.73 38.25 1ny9 h TYR 239 CO -0.04 0.41 0.16 0.52 -1.32 0.00 0.00 178.16 177.90 1ny9 h MET 240 N 0.10 0.33 -0.72 1.82 2.86 0.11 -0.26 114.93 119.16 1ny9 h MET 240 Ca 0.06 -0.02 0.16 0.00 -2.06 0.00 0.00 59.70 57.83 1ny9 h MET 240 Cb 0.27 -0.07 -0.11 0.00 0.06 0.00 0.00 31.60 31.74 1ny9 h MET 240 CO 0.00 0.22 0.15 -0.09 1.06 0.00 0.00 176.91 178.25 1ny9 h ARG 241 N 0.34 0.24 -0.73 1.72 1.12 -0.81 0.77 114.38 117.03 1ny9 h ARG 241 Ca 0.20 -0.01 0.01 0.00 -1.11 0.00 0.00 59.98 59.06 1ny9 h ARG 241 Cb 0.17 -0.05 -0.04 0.00 -0.01 0.00 0.00 29.97 30.04 1ny9 h ARG 241 CO -0.19 0.16 0.49 -0.44 -3.11 0.00 0.00 179.97 176.88 1ny9 h ASP 242 N 0.25 0.84 -0.48 -3.80 3.32 -0.63 -2.50 116.42 113.42 1ny9 h ASP 242 Ca 0.41 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1ny9 h ASP 242 Cb 0.69 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 1ny9 h ASP 242 CO -0.52 0.60 0.31 0.00 -1.72 0.00 0.00 179.24 177.91 1ny9 h ALA 243 N 1.54 0.61 0.44 3.45 0.00 0.18 -2.83 119.26 122.66 1ny9 h ALA 243 Ca 0.27 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1ny9 h ALA 243 Cb -0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1ny9 h ALA 243 CO -0.06 0.08 -0.27 0.82 0.00 0.00 0.00 179.25 179.82 1ny9 h ILE 244 N 0.65 0.45 -0.42 0.00 2.04 -0.75 -2.88 117.51 116.60 1ny9 h ILE 244 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.03 1ny9 h ILE 244 Cb -0.04 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1ny9 h ILE 244 CO -0.04 0.00 0.24 -0.07 0.00 0.00 0.00 178.15 178.28 1ny9 h LEU 245 N -0.68 0.51 0.01 1.44 4.07 -1.55 -0.48 115.31 118.64 1ny9 h LEU 245 Ca -0.05 -0.07 0.01 0.00 0.08 0.00 0.00 57.88 57.85 1ny9 h LEU 245 Cb 0.55 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 1ny9 h LEU 245 CO 0.06 0.43 -0.07 0.00 -1.08 0.00 0.00 178.44 177.78 1ny9 h ALA 246 N 1.10 -0.09 -0.43 1.53 0.00 -1.48 1.20 119.26 121.09 1ny9 h ALA 246 Ca 0.15 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ny9 h ALA 246 Cb 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1ny9 h ALA 246 CO -0.03 -0.57 0.25 -0.97 0.00 0.00 0.00 179.25 177.94 1ny9 h ASN 247 N -0.13 0.41 -0.12 0.00 -1.24 -1.44 -1.46 115.58 111.60 1ny9 h ASN 247 Ca 0.03 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 1ny9 h ASN 247 Cb 0.16 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.13 1ny9 h ASN 247 CO -0.07 0.29 0.05 0.00 -1.29 0.00 0.00 177.43 176.42 1ny9 h ALA 248 N 1.19 0.15 -0.42 1.57 0.00 -0.41 -2.59 119.26 118.76 1ny9 h ALA 248 Ca 0.17 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1ny9 h ALA 248 Cb 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1ny9 h ALA 248 CO -0.08 -0.28 0.20 0.28 0.00 0.00 0.00 179.25 179.37 1ny9 h VAL 249 N 0.06 0.95 0.00 0.00 2.07 0.18 2.45 116.25 121.95 1ny9 h VAL 249 Ca 0.04 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1ny9 h VAL 249 Cb 0.13 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1ny9 h VAL 249 CO -0.00 0.07 -0.01 0.08 0.02 0.00 0.00 177.57 177.73 1ny9 h ARG 250 N 0.40 0.00 0.00 1.57 0.11 -1.18 -3.26 114.38 112.02 1ny9 h ARG 250 Ca 0.18 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.26 1ny9 h ARG 250 Cb 0.11 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.19 1ny9 h ARG 250 CO -0.14 0.01 -0.61 0.72 0.10 0.00 0.00 179.97 180.05 1ny9 n HIS 251 N -3.14 0.26 -1.39 4.08 8.25 0.13 -5.10 115.22 118.32 1ny9 n HIS 251 Ca -0.01 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1ny9 n HIS 251 Cb 0.18 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.81 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 -3.98 -1.92 1.19 1.59 5.66 0.80 -5.08 114.28 112.53 1ny9 n THR 252 Ca -0.09 0.95 0.10 0.00 -3.05 0.00 0.00 64.05 61.96 1ny9 n THR 252 Cb 0.32 -1.57 0.56 0.00 -1.55 0.00 0.00 70.33 68.09 1ny9 n THR 252 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21