#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ny9 s GLN 161 N 0.00 3.53 0.00 -0.99 -0.44 -1.26 -4.95 119.66 115.55 1ny9 s GLN 161 Ca 0.00 -1.05 0.00 0.00 -2.50 0.00 0.00 55.36 51.81 1ny9 s GLN 161 Cb 0.00 -5.15 0.00 0.00 -1.64 0.00 0.00 33.01 26.22 1ny9 s GLN 161 CO 0.00 -2.16 0.00 0.54 0.50 0.00 0.00 175.29 174.17 1ny9 n ARG 162 N 8.74 0.00 -0.63 1.67 1.74 -1.26 -4.51 116.66 122.41 1ny9 n ARG 162 Ca 0.28 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1ny9 n ARG 162 Cb 0.50 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 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 0.00 0.00 -0.02 0.55 5.41 -1.26 -4.55 119.36 119.48 1ny9 n ILE 163 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.70 1ny9 n ILE 163 Cb 0.00 -0.63 -0.02 0.00 -0.71 0.00 0.00 39.64 38.28 1ny9 n ILE 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ny9 n GLN 164 N -0.21 0.10 -0.08 0.38 1.13 -1.26 -4.58 117.38 112.85 1ny9 n GLN 164 Ca 0.00 0.04 0.09 0.00 -1.94 0.00 0.00 57.00 55.19 1ny9 n GLN 164 Cb 0.22 -0.70 0.46 0.00 0.11 0.00 0.00 30.24 30.33 1ny9 n GLN 164 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 1ny9 h ASP 165 N -0.14 0.43 -0.34 1.08 5.19 -1.90 -1.97 116.42 118.77 1ny9 h ASP 165 Ca -0.11 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1ny9 h ASP 165 Cb 1.10 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.51 1ny9 h ASP 165 CO -0.06 0.28 0.20 -0.33 -3.12 0.00 0.00 179.24 176.20 1ny9 h GLU 166 N 0.49 0.47 -0.89 3.56 5.08 -1.93 -1.43 114.58 119.94 1ny9 h GLU 166 Ca 0.25 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1ny9 h GLU 166 Cb 0.37 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1ny9 h GLU 166 CO -0.07 0.37 0.51 0.00 -1.00 0.00 0.00 179.01 178.82 1ny9 h ALA 167 N 1.07 1.13 -0.06 3.43 0.00 -1.62 -1.62 119.26 121.59 1ny9 h ALA 167 Ca 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ny9 h ALA 167 Cb 0.03 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.46 1ny9 h ALA 167 CO -0.02 0.61 -0.03 -0.44 0.00 0.00 0.00 179.25 179.37 1ny9 h ASP 168 N 1.23 0.08 -0.28 0.00 3.32 -0.80 -1.14 116.42 118.83 1ny9 h ASP 168 Ca 0.32 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.33 1ny9 h ASP 168 Cb -0.01 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1ny9 h ASP 168 CO -0.06 0.13 0.09 -0.33 -1.72 0.00 0.00 179.24 177.35 1ny9 h GLU 169 N 0.09 0.51 -0.29 3.56 5.08 -0.27 -2.67 114.58 120.59 1ny9 h GLU 169 Ca 0.02 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1ny9 h GLU 169 Cb 0.12 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1ny9 h GLU 169 CO 0.00 0.47 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.41 1ny9 h LEU 170 N 0.50 0.51 -0.08 1.33 -0.00 -1.15 -0.93 115.31 115.49 1ny9 h LEU 170 Ca 0.12 -0.32 0.04 0.00 -0.00 0.00 0.00 57.88 57.72 1ny9 h LEU 170 Cb 0.19 -0.14 -0.05 0.00 -0.00 0.00 0.00 40.66 40.66 1ny9 h LEU 170 CO -0.00 0.70 -0.27 0.74 -0.00 0.00 0.00 178.44 179.60 1ny9 h THR 171 N 0.30 0.37 -0.89 0.22 2.02 -1.30 0.95 112.91 114.59 1ny9 h THR 171 Ca 0.08 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.33 1ny9 h THR 171 Cb 0.44 0.37 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 1ny9 h THR 171 CO 0.02 0.00 0.58 -0.09 0.37 0.00 0.00 175.52 176.39 1ny9 h ARG 172 N -0.37 0.94 -0.04 6.66 2.43 -1.45 0.85 114.38 123.40 1ny9 h ARG 172 Ca 0.08 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1ny9 h ARG 172 Cb 0.50 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1ny9 h ARG 172 CO -0.29 0.62 0.00 -0.09 -1.51 0.00 0.00 179.97 178.70 1ny9 h ARG 173 N 0.96 0.07 -0.23 0.20 9.65 0.71 0.45 114.38 126.19 1ny9 h ARG 173 Ca 0.39 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 59.22 1ny9 h ARG 173 Cb 0.27 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1ny9 h ARG 173 CO -0.15 0.36 0.03 0.74 2.80 0.00 0.00 179.97 183.74 1ny9 h PHE 174 N -0.23 0.42 -0.97 2.20 0.04 0.16 -2.64 116.94 115.93 1ny9 h PHE 174 Ca 0.01 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.72 1ny9 h PHE 174 Cb 0.32 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.31 1ny9 h PHE 174 CO 0.03 0.53 0.61 0.28 -0.60 0.00 0.00 178.31 179.16 1ny9 h VAL 175 N 0.18 1.26 -0.82 -0.55 2.07 0.75 0.11 116.25 119.26 1ny9 h VAL 175 Ca 0.07 -0.51 0.09 0.00 0.82 0.00 0.00 66.70 67.17 1ny9 h VAL 175 Cb 0.34 -0.14 -0.06 0.00 -1.52 0.00 0.00 31.29 29.92 1ny9 h VAL 175 CO 0.01 0.26 0.53 0.00 0.02 0.00 0.00 177.57 178.39 1ny9 h ALA 176 N 1.34 1.70 -0.49 1.67 0.00 0.16 0.14 119.26 123.78 1ny9 h ALA 176 Ca 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1ny9 h ALA 176 Cb -0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 1ny9 h ALA 176 CO -0.07 0.14 0.16 -0.07 0.00 0.00 0.00 179.25 179.40 1ny9 h LEU 177 N 0.80 0.70 -0.75 0.00 3.38 -0.46 -2.04 115.31 116.94 1ny9 h LEU 177 Ca 0.37 -0.20 0.06 0.00 0.09 0.00 0.00 57.88 58.20 1ny9 h LEU 177 Cb 0.39 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1ny9 h LEU 177 CO -0.14 0.72 0.44 0.24 0.09 0.00 0.00 178.44 179.79 1ny9 h MET 178 N 0.65 0.79 -0.74 1.13 2.86 0.11 0.21 114.93 119.94 1ny9 h MET 178 Ca 0.16 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.86 1ny9 h MET 178 Cb 0.26 -0.18 -0.08 0.00 0.06 0.00 0.00 31.60 31.66 1ny9 h MET 178 CO -0.01 0.52 0.35 0.22 1.06 0.00 0.00 176.91 179.06 1ny9 h ASP 179 N 0.81 0.42 1.29 1.22 3.58 -0.30 1.27 116.42 124.72 1ny9 h ASP 179 Ca 0.33 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.86 1ny9 h ASP 179 Cb 0.18 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.25 1ny9 h ASP 179 CO -0.18 0.22 0.00 0.00 -2.88 0.00 0.00 179.24 176.40 1ny9 h ALA 180 N 1.48 1.00 -5.61 -0.78 0.00 -0.97 -3.46 119.26 110.92 1ny9 h ALA 180 Ca 0.38 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.93 1ny9 h ALA 180 Cb 0.48 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.41 1ny9 h ALA 180 CO -0.32 0.00 -0.68 0.41 0.00 0.00 0.00 179.25 178.66 1ny9 n GLY 181 N 0.82 -0.44 3.74 0.00 0.00 0.44 -4.96 105.19 104.79 1ny9 n GLY 181 Ca 0.04 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 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 -5.98 1.11 -0.14 1.61 -1.05 -1.03 -4.96 118.70 108.26 1ny9 s GLU 182 Ca 0.40 0.55 -0.29 0.00 -0.15 0.00 0.00 54.97 55.47 1ny9 s GLU 182 Cb -0.18 -1.81 -0.02 0.00 -0.44 0.00 0.00 34.13 31.68 1ny9 s GLU 182 CO 0.70 -2.27 1.22 -1.25 0.95 0.00 0.00 175.26 174.61 1ny9 s PRO 183 N -5.08 4.27 0.33 -4.83 0.04 -1.26 -4.84 135.00 123.63 1ny9 s PRO 183 Ca 0.64 1.62 0.13 0.00 0.04 0.00 0.00 61.00 63.43 1ny9 s PRO 183 Cb -0.17 -3.70 0.69 0.00 0.04 0.00 0.00 34.50 31.37 1ny9 s PRO 183 CO 0.56 -0.63 1.28 0.00 0.04 0.00 0.00 177.00 178.26 1ny9 n ALA 184 N 6.19 0.61 0.21 8.56 0.00 -1.26 0.29 120.51 135.11 1ny9 n ALA 184 Ca 0.13 0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.74 1ny9 n ALA 184 Cb 0.45 -0.77 0.21 0.00 0.00 0.00 0.00 19.45 19.35 1ny9 n ALA 184 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ny9 n ASP 185 N -2.05 3.13 -4.71 0.00 -0.08 -1.26 -3.98 116.55 107.61 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 0.33 -0.48 -0.03 0.00 2.34 0.00 0.00 41.12 43.28 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 -0.66 6.85 0.30 1.67 0.15 0.85 -4.70 113.70 118.16 1ny9 s SER 186 Ca 0.30 2.24 0.05 0.00 0.70 0.00 0.00 55.95 59.24 1ny9 s SER 186 Cb 0.20 -2.58 0.80 0.00 -1.71 0.00 0.00 66.02 62.73 1ny9 s SER 186 CO 0.13 -0.66 1.66 -0.08 1.20 0.00 0.00 173.24 175.49 1ny9 h GLU 187 N 7.15 0.28 -0.15 5.44 4.57 -1.90 4.15 114.58 134.12 1ny9 h GLU 187 Ca -0.41 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.74 1ny9 h GLU 187 Cb 1.20 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 1ny9 h GLU 187 CO 0.87 0.19 0.06 0.78 -1.18 0.00 0.00 179.01 179.73 1ny9 h GLY 188 N 0.29 0.25 0.67 1.92 0.00 -1.95 2.52 103.07 106.77 1ny9 h GLY 188 Ca 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 1ny9 h GLY 188 CO -0.61 0.13 -0.11 0.00 0.00 0.00 0.00 176.54 175.95 1ny9 h ALA 189 N 0.89 -0.31 -0.76 3.60 0.00 0.31 0.84 119.26 123.83 1ny9 h ALA 189 Ca 0.05 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ny9 h ALA 189 Cb 0.19 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 1ny9 h ALA 189 CO -0.00 -0.51 0.50 0.52 0.00 0.00 0.00 179.25 179.76 1ny9 h MET 190 N -0.64 0.99 -0.74 0.00 2.07 0.76 0.77 114.93 118.14 1ny9 h MET 190 Ca -0.03 -0.06 0.05 0.00 -2.07 0.00 0.00 59.70 57.59 1ny9 h MET 190 Cb 0.46 -0.22 -0.04 0.00 -1.87 0.00 0.00 31.60 29.92 1ny9 h MET 190 CO 0.05 0.65 0.49 0.22 1.07 0.00 0.00 176.91 179.39 1ny9 h ASP 191 N 1.01 0.71 -0.51 1.22 3.58 0.45 0.75 116.42 123.64 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 -0.09 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.79 1ny9 h ASP 191 CO -0.07 0.47 0.16 0.00 -2.88 0.00 0.00 179.24 176.92 1ny9 h ALA 192 N 1.59 0.66 -0.62 -0.78 0.00 0.23 0.25 119.26 120.60 1ny9 h ALA 192 Ca 0.31 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1ny9 h ALA 192 Cb 0.19 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.72 1ny9 h ALA 192 CO -0.10 0.32 0.29 0.00 0.00 0.00 0.00 179.25 179.76 1ny9 h ALA 193 N 1.02 0.82 -0.30 0.00 0.00 0.55 1.48 119.26 122.83 1ny9 h ALA 193 Ca 0.16 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ny9 h ALA 193 Cb 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1ny9 h ALA 193 CO -0.01 -0.09 0.15 1.49 0.00 0.00 0.00 179.25 180.79 1ny9 h GLU 194 N 0.52 0.30 -0.43 0.00 4.57 0.16 0.08 114.58 119.78 1ny9 h GLU 194 Ca 0.30 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.45 1ny9 h GLU 194 Cb 0.29 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.79 1ny9 h GLU 194 CO -0.24 0.20 0.25 0.22 -1.18 0.00 0.00 179.01 178.25 1ny9 h ASP 195 N 0.31 0.53 -0.06 1.04 1.82 0.15 -0.65 116.42 119.56 1ny9 h ASP 195 Ca 0.12 -0.07 0.03 0.00 -0.39 0.00 0.00 57.03 56.72 1ny9 h ASP 195 Cb 0.04 -0.13 -0.06 0.00 0.68 0.00 0.00 39.33 39.86 1ny9 h ASP 195 CO -0.09 0.45 -0.52 -0.74 -1.61 0.00 0.00 179.24 176.73 1ny9 h HIS 196 N 0.56 -1.53 -0.86 0.28 2.76 0.29 -0.60 115.15 116.05 1ny9 h HIS 196 Ca 0.15 0.05 0.10 0.00 -2.20 0.00 0.00 60.37 58.48 1ny9 h HIS 196 Cb 0.03 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 0.50 -0.09 -1.30 0.00 0.00 177.93 176.46 1ny9 h ARG 197 N -0.62 0.79 -0.51 5.26 1.12 -0.78 -2.04 114.38 117.60 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 -0.04 0.00 -0.01 0.00 0.00 29.97 30.44 1ny9 h ARG 197 CO -0.39 0.53 0.30 0.37 -3.11 0.00 0.00 179.97 177.66 1ny9 h GLN 198 N 0.82 0.57 -0.71 0.20 5.75 0.26 -1.87 115.11 120.13 1ny9 h GLN 198 Ca 0.42 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.85 1ny9 h GLN 198 Cb 0.41 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 1ny9 h GLN 198 CO -0.26 0.38 0.31 0.78 -2.65 0.00 0.00 178.83 177.39 1ny9 h GLY 199 N 0.59 1.10 0.79 2.39 0.00 -0.46 -1.43 103.07 106.05 1ny9 h GLY 199 Ca 0.21 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1ny9 h GLY 199 CO -0.10 0.53 -0.30 -2.22 0.00 0.00 0.00 176.54 174.45 1ny9 h ILE 200 N 1.02 0.25 -0.79 2.60 2.04 -1.05 -2.94 117.51 118.64 1ny9 h ILE 200 Ca 0.24 -0.29 0.14 0.00 1.00 0.00 0.00 64.86 65.95 1ny9 h ILE 200 Cb 0.16 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 36.51 1ny9 h ILE 200 CO -0.03 0.03 0.52 0.00 0.00 0.00 0.00 178.15 178.67 1ny9 h ALA 201 N -0.85 1.99 -0.42 1.87 0.00 -1.28 0.34 119.26 120.91 1ny9 h ALA 201 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1ny9 h ALA 201 Cb 0.69 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1ny9 h ALA 201 CO 0.14 -0.20 0.13 0.00 0.00 0.00 0.00 179.25 179.33 1ny9 h ARG 202 N 0.53 0.64 0.19 0.00 3.08 -1.13 -2.92 114.38 114.78 1ny9 h ARG 202 Ca 0.39 -0.14 -0.32 0.00 0.07 0.00 0.00 59.98 59.98 1ny9 h ARG 202 Cb 0.75 -0.09 0.02 0.00 0.08 0.00 0.00 29.97 30.73 1ny9 h ARG 202 CO -0.14 0.63 -1.46 -2.95 -1.07 0.00 0.00 179.97 174.98 1ny9 h ASN 203 N 0.53 0.64 0.00 7.04 7.08 -1.22 -3.43 115.58 126.23 1ny9 h ASN 203 Ca 0.13 -0.74 0.00 0.00 -3.08 0.00 0.00 56.30 52.62 1ny9 h ASN 203 Cb 0.25 -0.21 0.00 0.00 -2.08 0.00 0.00 38.32 36.29 1ny9 h ASN 203 CO -0.00 1.59 0.00 1.57 -2.08 0.00 0.00 177.43 178.50 1ny9 n HIS 204 N -3.62 0.00 0.00 4.14 -0.00 0.11 -5.03 115.22 110.83 1ny9 n HIS 204 Ca -0.15 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.03 1ny9 n HIS 204 Cb 1.07 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.94 1ny9 n HIS 204 CO 0.00 0.00 0.00 0.98 0.46 0.00 0.00 176.34 177.78 1ny9 n TYR 205 N 0.00 0.00 -2.68 1.57 9.36 -1.11 -5.02 117.16 119.28 1ny9 n TYR 205 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 1ny9 n TYR 205 Cb 0.00 0.00 0.07 0.00 -0.63 0.00 0.00 39.34 38.78 1ny9 n TYR 205 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1ny9 n ASP 206 N -0.66 -1.51 -4.68 2.98 5.75 -1.26 -4.95 116.55 112.21 1ny9 n ASP 206 Ca 0.00 -2.23 -0.42 0.00 -0.01 0.00 0.00 54.79 52.13 1ny9 n ASP 206 Cb 0.00 1.22 -0.03 0.00 -1.03 0.00 0.00 41.12 41.28 1ny9 n ASP 206 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ny9 s GLY 208 N 3.30 1.59 0.46 0.00 0.00 -1.26 -4.76 107.32 106.65 1ny9 s GLY 208 Ca 0.83 -1.51 0.21 0.00 0.00 0.00 0.00 44.72 44.26 1ny9 s GLY 208 CO 0.38 -1.46 1.90 -0.97 0.00 0.00 0.00 173.10 172.95 1ny9 h TYR 209 N 1.19 0.32 0.04 1.90 0.05 -1.99 0.11 116.97 118.60 1ny9 h TYR 209 Ca -0.47 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.32 1ny9 h TYR 209 Cb 1.25 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.89 1ny9 h TYR 209 CO 0.50 0.10 -0.02 0.93 -1.05 0.00 0.00 178.16 178.62 1ny9 h GLU 210 N 0.26 -0.05 -0.15 4.88 5.08 -1.99 -0.51 114.58 122.10 1ny9 h GLU 210 Ca 0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.75 1ny9 h GLU 210 Cb 1.17 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1ny9 h GLU 210 CO -0.10 0.20 0.05 0.52 -1.00 0.00 0.00 179.01 178.69 1ny9 h MET 211 N -0.30 0.21 -0.62 2.33 2.86 -1.26 -0.34 114.93 117.81 1ny9 h MET 211 Ca -0.01 -0.02 -0.07 0.00 -2.06 0.00 0.00 59.70 57.54 1ny9 h MET 211 Cb 0.28 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1ny9 h MET 211 CO 0.01 0.19 0.10 1.25 1.06 0.00 0.00 176.91 179.52 1ny9 h HIS 212 N 0.21 1.09 -0.39 -0.22 6.17 -0.33 -2.27 115.15 119.41 1ny9 h HIS 212 Ca 0.05 -0.15 -0.03 0.00 0.71 0.00 0.00 60.37 60.96 1ny9 h HIS 212 Cb 0.07 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 29.68 1ny9 h HIS 212 CO 0.00 0.93 0.13 1.15 0.71 0.00 0.00 177.93 180.86 1ny9 h THR 213 N 0.94 1.16 -0.73 6.26 2.02 0.56 -2.44 112.91 120.67 1ny9 h THR 213 Ca 0.19 -0.52 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1ny9 h THR 213 Cb 0.43 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1ny9 h THR 213 CO 0.01 0.20 0.39 0.00 0.37 0.00 0.00 175.52 176.49 1ny9 h LEU 215 N 1.03 0.63 -0.98 0.00 4.07 -1.33 -2.51 115.31 116.21 1ny9 h LEU 215 Ca 0.26 -0.15 0.21 0.00 0.08 0.00 0.00 57.88 58.28 1ny9 h LEU 215 Cb 0.04 -0.17 -0.12 0.00 1.08 0.00 0.00 40.66 41.50 1ny9 h LEU 215 CO -0.04 0.73 0.57 1.23 -1.08 0.00 0.00 178.44 179.85 1ny9 h GLY 216 N 0.94 1.78 0.95 0.83 0.00 -1.27 0.72 103.07 107.02 1ny9 h GLY 216 Ca 0.12 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.12 1ny9 h GLY 216 CO 0.02 -0.16 -0.25 0.83 0.00 0.00 0.00 176.54 176.98 1ny9 h GLU 217 N 0.64 -0.64 -0.55 4.80 5.08 -1.47 -1.76 114.58 120.68 1ny9 h GLU 217 Ca 0.60 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 59.01 1ny9 h GLU 217 Cb 1.04 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1ny9 h GLU 217 CO -0.44 -0.42 0.36 0.52 -1.00 0.00 0.00 179.01 178.03 1ny9 h MET 218 N -0.66 0.70 0.76 2.33 2.86 -1.18 4.17 114.93 123.92 1ny9 h MET 218 Ca -0.06 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1ny9 h MET 218 Cb 0.52 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1ny9 h MET 218 CO 0.08 0.47 -0.48 1.88 1.06 0.00 0.00 176.91 179.92 1ny9 h TYR 219 N 0.72 -1.29 0.12 -0.22 -1.99 -0.39 -2.41 116.97 111.52 1ny9 h TYR 219 Ca 0.20 -0.01 -0.36 0.00 2.00 0.00 0.00 58.73 60.56 1ny9 h TYR 219 Cb -0.05 0.46 -0.02 0.00 2.00 0.00 0.00 36.73 39.12 1ny9 h TYR 219 CO -0.00 -0.72 -1.99 1.33 -0.00 0.00 0.00 178.16 176.78 1ny9 n VAL 220 N -5.50 1.76 -0.40 -2.88 0.24 -0.71 -3.80 118.33 107.04 1ny9 n VAL 220 Ca -0.14 -0.63 0.00 0.00 -2.04 0.00 0.00 64.34 61.53 1ny9 n VAL 220 Cb 0.49 -1.74 0.00 0.00 -1.47 0.00 0.00 33.84 31.12 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 -3.51 -0.11 -2.41 -1.34 3.41 1.37 -4.75 113.62 106.27 1ny9 n SER 221 Ca -0.33 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 1ny9 n SER 221 Cb 1.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 1ny9 n SER 221 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ny9 n ASP 222 N -1.35 -4.88 0.23 4.04 8.00 -1.26 -3.64 116.55 117.69 1ny9 n ASP 222 Ca 0.00 0.35 0.07 0.00 0.71 0.00 0.00 54.79 55.93 1ny9 n ASP 222 Cb 0.00 -1.13 0.39 0.00 -0.02 0.00 0.00 41.12 40.36 1ny9 n ASP 222 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 1ny9 h GLU 223 N 3.09 0.00 0.11 -1.24 4.11 -1.91 -0.73 114.58 118.01 1ny9 h GLU 223 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.42 1ny9 h GLU 223 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ny9 h GLU 223 CO 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 179.01 179.03 1ny9 h ARG 224 N 0.00 -0.14 0.00 1.06 3.08 -1.93 -2.58 114.38 113.88 1ny9 h ARG 224 Ca 0.00 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1ny9 h ARG 224 Cb 0.88 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.96 1ny9 h ARG 224 CO 0.00 0.26 -0.04 0.74 -1.07 0.00 0.00 179.97 179.85 1ny9 h PHE 225 N -0.58 0.03 -0.69 3.04 0.04 -1.39 -3.26 116.94 114.14 1ny9 h PHE 225 Ca -0.01 -0.02 0.13 0.00 2.80 0.00 0.00 57.97 60.86 1ny9 h PHE 225 Cb 0.46 -0.00 -0.13 0.00 2.20 0.00 0.00 35.95 38.48 1ny9 h PHE 225 CO 0.06 0.91 -0.28 1.15 -0.60 0.00 0.00 178.31 179.56 1ny9 h THR 226 N -0.85 0.19 -0.77 -1.55 2.02 -0.83 -0.08 112.91 111.03 1ny9 h THR 226 Ca -0.01 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.29 1ny9 h THR 226 Cb 0.93 0.19 -0.08 0.00 -1.74 0.00 0.00 68.15 67.45 1ny9 h THR 226 CO 0.01 0.00 0.39 0.03 0.37 0.00 0.00 175.52 176.31 1ny9 h ARG 227 N -0.08 0.59 -0.01 6.66 3.08 -1.57 -1.24 114.38 121.81 1ny9 h ARG 227 Ca 0.29 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.27 1ny9 h ARG 227 Cb 0.55 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1ny9 h ARG 227 CO -0.74 0.39 -0.15 -0.91 -1.07 0.00 0.00 179.97 177.49 1ny9 h ASN 228 N 0.61 0.16 0.97 7.04 4.21 -1.10 -2.94 115.58 124.52 1ny9 h ASN 228 Ca 0.40 -0.72 -0.05 0.00 1.21 0.00 0.00 56.30 57.14 1ny9 h ASN 228 Cb 0.48 -0.05 0.01 0.00 -1.12 0.00 0.00 38.32 37.64 1ny9 h ASN 228 CO -0.31 0.85 -0.48 0.40 -1.29 0.00 0.00 177.43 176.60 1ny9 h ILE 229 N -0.53 0.00 0.00 2.81 2.04 -1.12 -2.63 117.51 118.08 1ny9 h ILE 229 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1ny9 h ILE 229 Cb 0.86 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.94 1ny9 h ILE 229 CO 0.03 0.00 0.00 -0.67 0.00 0.00 0.00 178.15 177.51 1ny9 n ASP 230 N -5.62 0.00 -0.09 1.72 2.03 -0.48 -2.73 116.55 111.38 1ny9 n ASP 230 Ca -0.16 0.47 0.06 0.00 0.52 0.00 0.00 54.79 55.68 1ny9 n ASP 230 Cb 0.53 -0.48 0.41 0.00 -0.72 0.00 0.00 41.12 40.85 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 2.21 1.76 -0.00 -1.67 0.00 -1.27 -0.88 119.26 119.41 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 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ny9 h ALA 231 CO 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 179.25 179.40 1ny9 n ALA 232 N -2.47 2.59 -3.54 0.00 0.00 -1.10 -4.80 120.51 111.18 1ny9 n ALA 232 Ca 0.07 -0.18 0.03 0.00 0.00 0.00 0.00 53.44 53.37 1ny9 n ALA 232 Cb 0.18 -1.49 -0.06 0.00 0.00 0.00 0.00 19.45 18.09 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 -2.33 0.00 0.16 0.00 -0.14 -0.34 -5.11 119.74 111.98 1ny9 s LYS 233 Ca 0.36 0.01 -0.30 0.00 -1.36 0.00 0.00 55.97 54.68 1ny9 s LYS 233 Cb 0.21 0.00 -0.07 0.00 -1.68 0.00 0.00 37.83 36.29 1ny9 s LYS 233 CO 0.43 -0.00 1.16 -1.25 -0.76 0.00 0.00 175.35 174.93 1ny9 s PRO 234 N 1.23 4.52 0.00 -1.68 0.04 -1.23 -3.26 135.00 134.62 1ny9 s PRO 234 Ca -0.06 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1ny9 s PRO 234 Cb -0.02 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1ny9 s PRO 234 CO -0.11 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.28 1ny9 n GLY 235 N 2.33 2.51 0.37 0.56 0.00 -1.26 -4.86 105.19 104.84 1ny9 n GLY 235 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.12 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 0.96 0.33 0.99 8.10 -1.88 0.24 115.31 124.05 1ny9 h LEU 236 Ca 0.00 0.03 -0.00 0.00 0.11 0.00 0.00 57.88 58.01 1ny9 h LEU 236 Cb 0.00 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.03 1ny9 h LEU 236 CO 0.00 0.57 -0.26 0.00 -4.11 0.00 0.00 178.44 174.63 1ny9 h ALA 237 N 1.51 -0.59 -0.69 0.17 0.00 -1.87 0.38 119.26 118.15 1ny9 h ALA 237 Ca 0.46 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.31 1ny9 h ALA 237 Cb 0.34 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.43 1ny9 h ALA 237 CO -0.21 -0.86 0.41 0.00 0.00 0.00 0.00 179.25 178.60 1ny9 h ALA 238 N -0.00 0.92 -0.19 0.00 0.00 -1.69 -0.36 119.26 117.94 1ny9 h ALA 238 Ca -0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ny9 h ALA 238 Cb 0.53 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ny9 h ALA 238 CO -0.02 0.14 0.05 -0.92 0.00 0.00 0.00 179.25 178.50 1ny9 h TYR 239 N 0.79 0.32 -0.48 0.00 5.03 -0.54 -2.59 116.97 119.50 1ny9 h TYR 239 Ca 0.30 -0.04 0.05 0.00 2.58 0.00 0.00 58.73 61.62 1ny9 h TYR 239 Cb 0.11 -0.09 -0.05 0.00 1.55 0.00 0.00 36.73 38.25 1ny9 h TYR 239 CO -0.06 0.43 0.21 0.52 -1.32 0.00 0.00 178.16 177.94 1ny9 h MET 240 N 0.12 0.40 -0.70 1.82 2.86 0.24 -0.41 114.93 119.26 1ny9 h MET 240 Ca 0.06 -0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.83 1ny9 h MET 240 Cb 0.27 -0.09 -0.11 0.00 0.06 0.00 0.00 31.60 31.73 1ny9 h MET 240 CO 0.00 0.26 0.09 -0.09 1.06 0.00 0.00 176.91 178.23 1ny9 h ARG 241 N 0.41 0.18 -0.87 1.72 1.12 -0.87 0.75 114.38 116.82 1ny9 h ARG 241 Ca 0.22 -0.01 0.01 0.00 -1.11 0.00 0.00 59.98 59.09 1ny9 h ARG 241 Cb 0.18 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.05 1ny9 h ARG 241 CO -0.19 0.12 0.58 -0.44 -3.11 0.00 0.00 179.97 176.93 1ny9 h ASP 242 N 0.19 0.99 -0.27 -3.80 3.32 -0.73 -2.48 116.42 113.63 1ny9 h ASP 242 Ca 0.38 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.41 1ny9 h ASP 242 Cb 0.65 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1ny9 h ASP 242 CO -0.54 0.71 0.16 0.00 -1.72 0.00 0.00 179.24 177.84 1ny9 h ALA 243 N 1.46 0.34 0.51 3.45 0.00 0.16 -2.55 119.26 122.64 1ny9 h ALA 243 Ca 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1ny9 h ALA 243 Cb -0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1ny9 h ALA 243 CO -0.07 -0.15 -0.30 0.82 0.00 0.00 0.00 179.25 179.54 1ny9 h ILE 244 N 0.33 0.37 -0.33 0.00 2.04 -0.50 -2.18 117.51 117.24 1ny9 h ILE 244 Ca 0.09 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 1ny9 h ILE 244 Cb 0.03 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.47 1ny9 h ILE 244 CO -0.02 0.00 0.20 -0.07 0.00 0.00 0.00 178.15 178.26 1ny9 h LEU 245 N -0.77 0.40 -0.02 1.44 4.07 -1.54 0.15 115.31 119.04 1ny9 h LEU 245 Ca -0.06 -0.06 0.01 0.00 0.08 0.00 0.00 57.88 57.85 1ny9 h LEU 245 Cb 0.62 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1ny9 h LEU 245 CO 0.07 0.34 -0.03 0.00 -1.08 0.00 0.00 178.44 177.74 1ny9 h ALA 246 N 1.08 -0.01 -0.27 1.53 0.00 -1.41 1.86 119.26 122.05 1ny9 h ALA 246 Ca 0.12 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1ny9 h ALA 246 Cb 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ny9 h ALA 246 CO -0.02 -0.52 0.17 -0.97 0.00 0.00 0.00 179.25 177.91 1ny9 h ASN 247 N -0.04 0.29 -0.19 0.00 -0.00 -1.28 -1.21 115.58 113.14 1ny9 h ASN 247 Ca 0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.31 1ny9 h ASN 247 Cb 0.07 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 1ny9 h ASN 247 CO -0.05 0.21 0.09 0.00 -0.00 0.00 0.00 177.43 177.68 1ny9 h ALA 248 N 1.10 0.24 -0.56 1.57 0.00 -0.12 -2.81 119.26 118.69 1ny9 h ALA 248 Ca 0.10 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1ny9 h ALA 248 Cb -0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 1ny9 h ALA 248 CO -0.03 -0.19 0.29 0.28 0.00 0.00 0.00 179.25 179.60 1ny9 h VAL 249 N 0.17 0.96 0.00 0.00 2.07 0.32 2.17 116.25 121.94 1ny9 h VAL 249 Ca 0.06 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1ny9 h VAL 249 Cb 0.13 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1ny9 h VAL 249 CO -0.01 0.10 0.00 0.08 0.02 0.00 0.00 177.57 177.76 1ny9 h ARG 250 N 0.56 0.00 0.00 1.57 0.11 -1.10 -3.18 114.38 112.35 1ny9 h ARG 250 Ca 0.24 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.32 1ny9 h ARG 250 Cb 0.14 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.22 1ny9 h ARG 250 CO -0.16 0.00 -0.80 0.72 0.10 0.00 0.00 179.97 179.83 1ny9 n HIS 251 N -2.97 0.43 -3.02 4.08 8.25 0.48 -5.06 115.22 117.42 1ny9 n HIS 251 Ca -0.01 0.19 -0.01 0.00 -0.26 0.00 0.00 57.72 57.63 1ny9 n HIS 251 Cb 0.16 -0.63 -0.01 0.00 1.12 0.00 0.00 29.99 30.63 1ny9 n HIS 251 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1ny9 n THR 252 N -4.53 -4.51 1.96 1.59 -1.04 0.71 -5.09 114.28 103.37 1ny9 n THR 252 Ca -0.12 0.82 0.16 0.00 -2.04 0.00 0.00 64.05 62.87 1ny9 n THR 252 Cb 0.41 -3.87 0.93 0.00 -1.82 0.00 0.00 70.33 65.98 1ny9 n THR 252 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62