#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djw s LYS 159 N 0.00 0.68 -0.02 1.20 1.02 -1.26 -4.58 119.74 116.78 1djw s LYS 159 Ca 0.00 -1.14 0.04 0.00 0.02 0.00 0.00 55.97 54.90 1djw s LYS 159 Cb 0.00 0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.53 1djw s LYS 159 CO 0.00 -0.16 -0.13 0.00 -0.92 0.00 0.00 175.35 174.14 1djw s MET 160 N -3.89 2.42 0.36 1.68 0.23 -0.52 -4.75 119.30 114.82 1djw s MET 160 Ca 0.06 -0.76 0.08 0.00 -1.03 0.00 0.00 55.69 54.04 1djw s MET 160 Cb 0.07 -2.37 -0.03 0.00 -1.53 0.00 0.00 34.83 30.98 1djw s MET 160 CO -0.10 0.60 0.29 0.54 -2.03 0.00 0.00 175.02 174.32 1djw s ASN 161 N -1.02 5.15 0.24 -1.18 2.20 -1.26 0.62 114.94 119.69 1djw s ASN 161 Ca 0.13 -0.59 -0.11 0.00 -0.94 0.00 0.00 52.86 51.35 1djw s ASN 161 Cb -0.11 -0.85 0.32 0.00 -2.00 0.00 0.00 41.25 38.62 1djw s ASN 161 CO 0.03 -0.42 1.60 0.15 -2.94 0.00 0.00 177.10 175.53 1djw h PHE 162 N 1.24 -0.38 -0.24 1.54 3.57 -1.99 0.23 116.94 120.90 1djw h PHE 162 Ca -0.44 0.07 -0.05 0.00 3.53 0.00 0.00 57.97 61.08 1djw h PHE 162 Cb 1.26 0.29 -0.01 0.00 2.79 0.00 0.00 35.95 40.28 1djw h PHE 162 CO 0.54 -0.32 -0.04 0.87 -2.23 0.00 0.00 178.31 177.12 1djw h LYS 163 N 0.00 0.46 -0.74 1.11 6.56 -1.97 0.95 116.57 122.95 1djw h LYS 163 Ca 0.37 -0.17 0.11 0.00 -1.06 0.00 0.00 60.65 59.90 1djw h LYS 163 Cb 0.57 -0.03 -0.05 0.00 -0.57 0.00 0.00 32.23 32.15 1djw h LYS 163 CO -0.78 0.67 0.49 0.93 -2.06 0.00 0.00 179.45 178.71 1djw h GLU 164 N 0.21 0.57 0.50 3.15 5.08 -1.76 0.91 114.58 123.24 1djw h GLU 164 Ca 0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1djw h GLU 164 Cb 0.50 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1djw h GLU 164 CO 0.02 0.38 -0.24 1.25 -1.00 0.00 0.00 179.01 179.42 1djw h LEU 165 N 0.59 -0.57 -1.36 1.33 5.85 0.37 -1.46 115.31 120.06 1djw h LEU 165 Ca 0.35 0.02 0.08 0.00 0.84 0.00 0.00 57.88 59.17 1djw h LEU 165 Cb 0.56 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 1djw h LEU 165 CO -0.12 -0.22 0.68 0.11 -0.34 0.00 0.00 178.44 178.54 1djw h LYS 166 N -1.03 0.00 0.00 1.25 1.57 0.17 0.19 116.57 118.72 1djw h LYS 166 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1djw h LYS 166 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1djw h LYS 166 CO 0.11 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.74 1djw n ASP 167 N -3.06 0.00 -0.41 0.86 9.92 0.25 -3.64 116.55 120.46 1djw n ASP 167 Ca 0.05 0.54 0.37 0.00 -0.53 0.00 0.00 54.79 55.22 1djw n ASP 167 Cb 0.79 -0.46 0.64 0.00 -0.64 0.00 0.00 41.12 41.45 1djw n ASP 167 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1djw n PHE 168 N -1.88 0.85 0.00 1.24 7.35 -0.07 -0.84 117.46 124.11 1djw n PHE 168 Ca 0.00 0.86 0.00 0.00 -0.76 0.00 0.00 57.45 57.55 1djw n PHE 168 Cb 0.00 -1.28 0.00 0.00 0.35 0.00 0.00 39.48 38.55 1djw n PHE 168 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1djw n LEU 169 N -4.87 0.00 -0.59 -2.13 4.77 -0.47 -2.30 117.00 111.40 1djw n LEU 169 Ca 0.39 0.99 0.47 0.00 -0.03 0.00 0.00 56.01 57.83 1djw n LEU 169 Cb 1.45 -0.49 0.78 0.00 -2.33 0.00 0.00 43.42 42.82 1djw n LEU 169 CO 0.12 -0.49 1.41 0.11 -1.33 0.00 0.00 177.39 177.21 1djw h LYS 170 N 0.00 0.02 0.00 3.23 1.79 -1.06 0.31 116.57 120.86 1djw h LYS 170 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1djw h LYS 170 Cb 0.00 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1djw h LYS 170 CO 0.00 0.01 0.00 -1.91 -1.08 0.00 0.00 179.45 176.47 1djw n GLU 171 N -4.15 0.00 -2.49 3.15 2.13 -0.59 -3.63 120.64 115.05 1djw n GLU 171 Ca 0.40 0.73 -0.43 0.00 0.66 0.00 0.00 57.16 58.52 1djw n GLU 171 Cb 1.77 -1.49 -0.02 0.00 0.27 0.00 0.00 31.44 31.97 1djw n GLU 171 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1djw s LEU 172 N -4.89 3.65 0.00 4.31 2.34 0.10 -4.80 118.68 119.39 1djw s LEU 172 Ca 0.00 0.69 0.00 0.00 0.06 0.00 0.00 54.13 54.88 1djw s LEU 172 Cb 0.00 -3.55 0.00 0.00 -0.56 0.00 0.00 46.19 42.08 1djw s LEU 172 CO 0.00 -1.29 0.57 0.59 -1.06 0.00 0.00 176.35 175.16 1djw n ASN 173 N 8.15 -1.14 -3.88 1.48 3.02 -1.24 -4.78 115.26 116.87 1djw n ASN 173 Ca 0.14 -0.75 -0.30 0.00 -0.03 0.00 0.00 54.58 53.64 1djw n ASN 173 Cb 0.48 -0.26 -0.14 0.00 -0.61 0.00 0.00 39.78 39.25 1djw n ASN 173 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1djw s ILE 174 N 0.86 2.04 -0.94 2.41 1.01 -1.24 -5.03 121.20 120.31 1djw s ILE 174 Ca 0.00 -2.70 -0.24 0.00 0.00 0.00 0.00 60.65 57.71 1djw s ILE 174 Cb 0.00 -2.45 0.03 0.00 0.01 0.00 0.00 42.46 40.05 1djw s ILE 174 CO 0.00 -0.76 1.52 -1.10 0.00 0.00 0.00 174.94 174.60 1djw s GLN 175 N 0.35 3.31 -0.08 2.79 -0.21 -1.26 -4.17 119.66 120.39 1djw s GLN 175 Ca 0.15 -0.77 0.04 0.00 0.02 0.00 0.00 55.36 54.80 1djw s GLN 175 Cb -0.23 -5.08 0.00 0.00 1.00 0.00 0.00 33.01 28.70 1djw s GLN 175 CO -0.04 -2.42 -0.21 0.08 -2.12 0.00 0.00 175.29 170.58 1djw s VAL 176 N 6.13 1.81 -0.18 1.09 1.01 -1.26 -4.08 120.40 124.93 1djw s VAL 176 Ca 0.49 -0.89 -0.39 0.00 0.00 0.00 0.00 61.98 61.20 1djw s VAL 176 Cb -0.03 -1.58 -0.15 0.00 0.00 0.00 0.00 36.38 34.62 1djw s VAL 176 CO -0.03 0.51 1.70 -0.67 0.00 0.00 0.00 175.10 176.61 1djw n ASP 177 N 3.49 2.45 -0.30 3.32 2.03 -1.26 -4.79 116.55 121.49 1djw n ASP 177 Ca -0.20 1.07 0.12 0.00 0.52 0.00 0.00 54.79 56.30 1djw n ASP 177 Cb 0.53 -1.19 0.36 0.00 -0.72 0.00 0.00 41.12 40.09 1djw n ASP 177 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1djw h ASP 178 N 7.07 0.71 -0.19 1.67 3.32 -1.97 0.20 116.42 127.23 1djw h ASP 178 Ca -0.47 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 1djw h ASP 178 Cb 1.31 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 1djw h ASP 178 CO 0.93 0.33 0.09 1.23 -1.72 0.00 0.00 179.24 180.09 1djw h GLY 179 N 0.73 0.30 0.90 2.75 0.00 -1.99 0.14 103.07 105.90 1djw h GLY 179 Ca 0.49 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 1djw h GLY 179 CO -0.26 0.14 -0.15 -1.82 0.00 0.00 0.00 176.54 174.45 1djw h TYR 180 N 0.17 -0.40 -0.36 5.60 3.20 -1.54 0.42 116.97 124.06 1djw h TYR 180 Ca 0.06 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.04 1djw h TYR 180 Cb 0.14 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1djw h TYR 180 CO -0.02 -0.24 0.32 0.00 -1.64 0.00 0.00 178.16 176.58 1djw h ALA 181 N 0.37 2.14 0.11 1.82 0.00 -0.38 -1.11 119.26 122.22 1djw h ALA 181 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1djw h ALA 181 Cb 0.32 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1djw h ALA 181 CO 0.01 -0.51 -0.05 -0.09 0.00 0.00 0.00 179.25 178.61 1djw h ARG 182 N 0.00 -0.15 -0.34 0.00 2.43 0.68 -1.87 114.38 115.13 1djw h ARG 182 Ca 0.17 0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.43 1djw h ARG 182 Cb 0.82 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 30.32 1djw h ARG 182 CO -0.00 0.33 -0.22 -0.22 -1.51 0.00 0.00 179.97 178.35 1djw h LYS 183 N -0.88 -0.17 -0.83 0.20 3.64 -0.03 0.22 116.57 118.72 1djw h LYS 183 Ca -0.02 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 1djw h LYS 183 Cb 0.55 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 1djw h LYS 183 CO 0.03 -0.11 0.53 0.82 -2.27 0.00 0.00 179.45 178.45 1djw h ILE 184 N -0.17 1.11 -0.11 2.00 1.08 -1.34 -0.67 117.51 119.41 1djw h ILE 184 Ca 0.17 -0.35 -0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1djw h ILE 184 Cb 0.44 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 1djw h ILE 184 CO -0.44 0.19 0.06 0.15 -0.69 0.00 0.00 178.15 177.41 1djw h PHE 185 N 1.02 0.16 -0.02 1.37 3.57 -0.29 -2.65 116.94 120.10 1djw h PHE 185 Ca 0.34 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.85 1djw h PHE 185 Cb 0.05 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1djw h PHE 185 CO -0.03 0.20 -0.08 0.00 -2.23 0.00 0.00 178.31 176.17 1djw h ARG 186 N 0.08 -0.13 -0.35 1.11 3.08 0.03 -1.63 114.38 116.58 1djw h ARG 186 Ca 0.04 0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.20 1djw h ARG 186 Cb 0.09 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1djw h ARG 186 CO -0.01 -0.09 0.59 0.93 -1.07 0.00 0.00 179.97 180.32 1djw h GLU 187 N -0.14 0.00 0.00 0.04 5.08 -0.97 0.03 114.58 118.62 1djw h GLU 187 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1djw h GLU 187 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1djw h GLU 187 CO -0.10 0.00 -1.21 0.00 -1.00 0.00 0.00 179.01 176.70 1djw s ASP 189 N -4.51 6.17 0.05 0.00 2.15 -0.01 -4.71 116.67 115.82 1djw s ASP 189 Ca -0.00 -1.06 -0.23 0.00 0.43 0.00 0.00 52.55 51.69 1djw s ASP 189 Cb 0.13 -2.40 -0.14 0.00 -0.30 0.00 0.00 42.92 40.20 1djw s ASP 189 CO 0.82 -1.39 1.53 0.45 -0.17 0.00 0.00 175.17 176.41 1djw h HIS 190 N 9.51 0.14 -0.29 -5.34 3.86 -1.88 -3.13 115.15 118.02 1djw h HIS 190 Ca -0.29 -0.02 0.09 0.00 -1.16 0.00 0.00 60.37 58.99 1djw h HIS 190 Cb 1.07 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 1djw h HIS 190 CO 0.95 0.33 0.33 0.66 0.86 0.00 0.00 177.93 181.06 1djw h SER 191 N -0.09 0.00 -0.07 2.45 4.64 -1.91 -3.45 113.55 115.12 1djw h SER 191 Ca 0.03 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1djw h SER 191 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1djw h SER 191 CO 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 176.83 175.93 1djw n GLN 192 N -3.72 -0.95 0.04 4.77 1.13 -1.19 -4.84 117.38 112.62 1djw n GLN 192 Ca 0.04 0.34 0.13 0.00 -1.94 0.00 0.00 57.00 55.58 1djw n GLN 192 Cb 0.48 -4.12 0.53 0.00 0.11 0.00 0.00 30.24 27.24 1djw n GLN 192 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1djw n THR 193 N -2.53 0.27 -2.57 5.09 -2.24 -1.26 -4.92 114.28 106.12 1djw n THR 193 Ca -0.02 -0.09 -0.06 0.00 -2.27 0.00 0.00 64.05 61.61 1djw n THR 193 Cb 0.26 -0.57 0.01 0.00 -2.10 0.00 0.00 70.33 67.94 1djw n THR 193 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1djw n ASP 194 N -1.79 -2.92 -3.74 3.42 9.92 -1.26 -5.04 116.55 115.13 1djw n ASP 194 Ca 0.06 -0.10 -0.13 0.00 -0.53 0.00 0.00 54.79 54.09 1djw n ASP 194 Cb 0.36 -1.73 -0.09 0.00 -0.64 0.00 0.00 41.12 39.02 1djw n ASP 194 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1djw s SER 195 N -2.97 -0.29 -0.27 -2.24 1.04 -1.26 -4.43 113.70 103.28 1djw s SER 195 Ca 0.11 0.37 -0.09 0.00 0.48 0.00 0.00 55.95 56.81 1djw s SER 195 Cb -0.05 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 1djw s SER 195 CO 0.13 -0.34 0.14 -0.76 0.98 0.00 0.00 173.24 173.40 1djw s LEU 196 N -0.74 3.79 0.90 2.42 1.43 0.20 -4.80 118.68 121.87 1djw s LEU 196 Ca -0.08 -0.11 -0.14 0.00 -1.03 0.00 0.00 54.13 52.77 1djw s LEU 196 Cb -0.04 -2.04 0.15 0.00 0.03 0.00 0.00 46.19 44.29 1djw s LEU 196 CO 0.03 -0.05 1.26 -1.61 0.23 0.00 0.00 176.35 176.21 1djw s GLU 197 N 1.70 1.20 0.00 1.70 8.01 -1.26 -1.44 118.70 128.60 1djw s GLU 197 Ca 0.07 -0.19 0.00 0.00 0.01 0.00 0.00 54.97 54.85 1djw s GLU 197 Cb -0.16 -1.89 0.00 0.00 -4.31 0.00 0.00 34.13 27.77 1djw s GLU 197 CO 0.08 -2.07 0.94 -0.25 0.01 0.00 0.00 175.26 173.96 1djw n ASP 198 N -3.58 0.00 -0.21 -0.19 9.92 -1.26 -2.20 116.55 119.03 1djw n ASP 198 Ca 0.12 0.94 0.02 0.00 -0.53 0.00 0.00 54.79 55.33 1djw n ASP 198 Cb 0.60 -0.44 0.11 0.00 -0.64 0.00 0.00 41.12 40.76 1djw n ASP 198 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1djw h GLU 199 N 0.00 0.13 -0.89 -1.24 5.08 -2.00 0.38 114.58 116.04 1djw h GLU 199 Ca 0.00 -0.01 0.25 0.00 -1.00 0.00 0.00 59.36 58.60 1djw h GLU 199 Cb 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1djw h GLU 199 CO 0.00 0.08 0.63 0.93 -1.00 0.00 0.00 179.01 179.65 1djw h GLU 200 N 0.13 0.07 -0.00 2.33 5.08 -1.80 0.23 114.58 120.61 1djw h GLU 200 Ca 0.34 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 1djw h GLU 200 Cb 0.56 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1djw h GLU 200 CO -0.54 0.05 -0.02 0.82 -1.00 0.00 0.00 179.01 178.32 1djw h ILE 201 N 0.07 1.52 -0.65 3.13 1.08 0.26 0.25 117.51 123.17 1djw h ILE 201 Ca 0.43 -1.55 0.07 0.00 -0.39 0.00 0.00 64.86 63.42 1djw h ILE 201 Cb 1.60 2.56 -0.06 0.00 -3.07 0.00 0.00 36.82 37.85 1djw h ILE 201 CO -0.04 0.41 0.33 -0.33 -0.69 0.00 0.00 178.15 177.83 1djw h GLU 202 N -0.63 0.59 -0.45 2.37 5.08 -0.75 0.14 114.58 120.93 1djw h GLU 202 Ca -0.00 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1djw h GLU 202 Cb 0.67 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1djw h GLU 202 CO 0.00 0.39 0.10 1.15 -1.00 0.00 0.00 179.01 179.66 1djw h THR 203 N 0.61 1.20 0.05 1.13 2.02 -0.59 -0.48 112.91 116.84 1djw h THR 203 Ca 0.30 -0.72 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 1djw h THR 203 Cb 0.25 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1djw h THR 203 CO -0.21 0.26 -0.03 0.15 0.37 0.00 0.00 175.52 176.06 1djw h PHE 204 N 0.65 -0.07 -0.94 3.16 3.57 0.19 -1.71 116.94 121.79 1djw h PHE 204 Ca 0.15 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.69 1djw h PHE 204 Cb 0.26 0.02 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 1djw h PHE 204 CO 0.01 0.25 0.62 -0.92 -2.23 0.00 0.00 178.31 176.03 1djw h TYR 205 N -0.39 1.13 -0.17 0.41 3.20 -0.52 -1.51 116.97 119.13 1djw h TYR 205 Ca -0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1djw h TYR 205 Cb 0.34 -0.38 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 1djw h TYR 205 CO 0.03 0.64 -0.06 0.87 -1.64 0.00 0.00 178.16 178.00 1djw h LYS 206 N 1.16 0.35 -0.39 1.82 1.57 -1.05 0.21 116.57 120.24 1djw h LYS 206 Ca 0.38 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 59.06 1djw h LYS 206 Cb 0.05 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1djw h LYS 206 CO -0.12 0.64 0.26 0.52 -0.57 0.00 0.00 179.45 180.18 1djw h MET 207 N 0.04 0.32 0.00 3.15 2.86 -0.93 0.11 114.93 120.48 1djw h MET 207 Ca 0.04 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1djw h MET 207 Cb 0.52 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 1djw h MET 207 CO 0.02 0.21 -0.34 1.25 1.06 0.00 0.00 176.91 179.12 1djw h LEU 208 N 0.33 0.00 -0.72 1.22 5.85 -0.92 -3.36 115.31 117.71 1djw h LEU 208 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1djw h LEU 208 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1djw h LEU 208 CO -0.04 0.04 -0.03 0.35 -0.34 0.00 0.00 178.44 178.43 1djw n THR 209 N -2.99 0.00 -2.13 1.05 -2.24 0.03 -5.03 114.28 102.97 1djw n THR 209 Ca 0.02 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.91 1djw n THR 209 Cb 0.56 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.79 1djw n THR 209 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1djw s GLN 210 N -0.53 4.36 -0.42 -0.78 -2.07 0.25 -4.97 119.66 115.52 1djw s GLN 210 Ca 0.02 2.19 -0.00 0.00 -1.82 0.00 0.00 55.36 55.75 1djw s GLN 210 Cb 0.02 -3.10 0.11 0.00 -1.09 0.00 0.00 33.01 28.95 1djw s GLN 210 CO 0.05 -0.21 0.19 1.03 -1.32 0.00 0.00 175.29 175.03 1djw s ARG 211 N -1.38 1.90 0.15 9.60 0.52 -1.26 -4.97 118.95 123.50 1djw s ARG 211 Ca 0.51 -1.98 -0.22 0.00 -0.52 0.00 0.00 55.73 53.53 1djw s ARG 211 Cb -0.39 -3.46 0.04 0.00 0.52 0.00 0.00 34.95 31.65 1djw s ARG 211 CO 0.49 -1.05 1.64 0.00 0.02 0.00 0.00 175.30 176.40 1djw h ALA 212 N 7.69 -0.07 -0.80 2.13 0.00 -1.98 0.64 119.26 126.85 1djw h ALA 212 Ca -0.09 0.09 0.19 0.00 0.00 0.00 0.00 54.91 55.10 1djw h ALA 212 Cb 1.02 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 1djw h ALA 212 CO 0.64 -0.64 0.55 1.05 0.00 0.00 0.00 179.25 180.86 1djw h GLU 213 N -0.21 0.25 -0.10 0.00 9.09 -1.99 0.45 114.58 122.06 1djw h GLU 213 Ca 0.14 -0.02 -0.16 0.00 0.05 0.00 0.00 59.36 59.38 1djw h GLU 213 Cb 0.43 -0.06 0.01 0.00 -1.65 0.00 0.00 28.75 27.48 1djw h GLU 213 CO -0.38 0.17 -0.56 0.82 0.05 0.00 0.00 179.01 179.10 1djw h ILE 214 N 0.26 1.35 0.30 -1.06 1.08 -1.40 -1.89 117.51 116.16 1djw h ILE 214 Ca 0.40 -1.87 -0.00 0.00 -0.39 0.00 0.00 64.86 63.00 1djw h ILE 214 Cb 1.18 2.18 -0.02 0.00 -3.07 0.00 0.00 36.82 37.09 1djw h ILE 214 CO -0.10 0.57 -0.26 0.44 -0.69 0.00 0.00 178.15 178.11 1djw h ASP 215 N 0.19 -0.67 -0.41 1.72 3.32 0.18 -1.21 116.42 119.52 1djw h ASP 215 Ca -0.04 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.12 1djw h ASP 215 Cb 1.21 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.93 1djw h ASP 215 CO 0.12 -0.38 0.11 -0.09 -1.72 0.00 0.00 179.24 177.28 1djw h ARG 216 N -0.57 0.25 -0.81 3.56 2.43 -0.49 -0.45 114.38 118.31 1djw h ARG 216 Ca -0.02 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.24 1djw h ARG 216 Cb 0.51 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 1djw h ARG 216 CO -0.03 0.16 0.53 0.00 -1.51 0.00 0.00 179.97 179.12 1djw h ALA 217 N 1.29 1.77 -0.04 2.80 0.00 -1.00 -0.56 119.26 123.53 1djw h ALA 217 Ca 0.20 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1djw h ALA 217 Cb 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1djw h ALA 217 CO -0.23 0.06 -0.06 0.35 0.00 0.00 0.00 179.25 179.37 1djw h PHE 218 N 0.73 0.13 -0.29 0.00 3.57 -0.09 -2.49 116.94 118.50 1djw h PHE 218 Ca 0.37 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.89 1djw h PHE 218 Cb 0.48 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.11 1djw h PHE 218 CO -0.00 0.63 -0.39 0.93 -2.23 0.00 0.00 178.31 177.25 1djw h GLU 219 N -0.40 -0.35 -0.63 1.11 5.08 -0.45 0.73 114.58 119.66 1djw h GLU 219 Ca 0.00 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.50 1djw h GLU 219 Cb 0.62 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.86 1djw h GLU 219 CO 0.01 -0.24 0.17 0.93 -1.00 0.00 0.00 179.01 178.89 1djw h GLU 220 N -0.37 0.31 -0.14 2.33 5.08 -1.16 1.19 114.58 121.81 1djw h GLU 220 Ca 0.12 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1djw h GLU 220 Cb 0.58 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1djw h GLU 220 CO -0.48 0.20 -0.10 0.00 -1.00 0.00 0.00 179.01 177.63 1djw h ALA 221 N 1.48 0.21 0.00 3.43 0.00 -0.71 -3.30 119.26 120.37 1djw h ALA 221 Ca 0.33 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1djw h ALA 221 Cb 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1djw h ALA 221 CO -0.39 0.04 -0.74 0.00 0.00 0.00 0.00 179.25 178.17 1djw h ALA 222 N 0.63 0.59 -0.67 0.00 0.00 0.95 -3.46 119.26 117.31 1djw h ALA 222 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1djw h ALA 222 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1djw h ALA 222 CO 0.03 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.69 1djw n GLY 223 N 1.24 2.43 0.15 0.00 0.00 0.40 -3.36 105.19 106.06 1djw n GLY 223 Ca 0.02 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 1djw n GLY 223 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1djw h SER 224 N 1.83 -0.28 -2.97 1.61 4.64 -1.96 -3.46 113.55 112.97 1djw h SER 224 Ca 0.00 0.02 -0.51 0.00 -0.47 0.00 0.00 61.79 60.83 1djw h SER 224 Cb 0.00 0.09 0.22 0.00 -0.31 0.00 0.00 62.40 62.40 1djw h SER 224 CO 0.00 -0.18 -0.83 0.00 -0.87 0.00 0.00 176.83 174.95 1djw n ALA 225 N -2.26 -3.27 0.65 5.18 0.00 -1.21 -4.90 120.51 114.69 1djw n ALA 225 Ca -0.08 -0.83 0.12 0.00 0.00 0.00 0.00 53.44 52.65 1djw n ALA 225 Cb 0.15 -1.66 0.21 0.00 0.00 0.00 0.00 19.45 18.14 1djw n ALA 225 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1djw n GLU 226 N -1.52 2.36 -4.10 0.00 2.13 -1.26 -4.89 120.64 113.37 1djw n GLU 226 Ca 0.04 -2.03 -0.09 0.00 0.66 0.00 0.00 57.16 55.74 1djw n GLU 226 Cb 0.57 -1.49 -0.09 0.00 0.27 0.00 0.00 31.44 30.69 1djw n GLU 226 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1djw s THR 227 N -1.70 0.11 -0.20 6.31 2.01 -1.26 -4.63 115.64 116.29 1djw s THR 227 Ca 0.35 -1.78 -0.05 0.00 0.31 0.00 0.00 61.69 60.52 1djw s THR 227 Cb 0.21 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.79 1djw s THR 227 CO 0.31 -0.51 -0.01 -0.76 -0.69 0.00 0.00 174.62 172.96 1djw s LEU 228 N -3.01 3.19 0.43 4.42 1.43 0.66 -4.78 118.68 121.03 1djw s LEU 228 Ca 0.20 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 1djw s LEU 228 Cb 0.07 -1.81 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 1djw s LEU 228 CO -0.01 0.06 0.75 -0.94 0.23 0.00 0.00 176.35 176.44 1djw s SER 229 N 1.03 6.36 0.50 2.29 1.04 -1.26 -0.29 113.70 123.37 1djw s SER 229 Ca 0.02 0.95 0.30 0.00 0.48 0.00 0.00 55.95 57.70 1djw s SER 229 Cb -0.14 -2.25 1.41 0.00 0.10 0.00 0.00 66.02 65.14 1djw s SER 229 CO 0.01 -0.47 1.82 0.58 0.98 0.00 0.00 173.24 176.16 1djw h VAL 230 N 0.63 0.48 0.06 5.02 2.07 -1.93 0.52 116.25 123.10 1djw h VAL 230 Ca -0.47 -0.04 -0.24 0.00 0.82 0.00 0.00 66.70 66.77 1djw h VAL 230 Cb 1.20 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1djw h VAL 230 CO 0.63 0.02 -1.14 -0.33 0.02 0.00 0.00 177.57 176.77 1djw h GLU 231 N 0.11 0.12 0.00 1.57 4.39 -1.91 -1.71 114.58 117.14 1djw h GLU 231 Ca 0.53 -0.20 -0.10 0.00 0.34 0.00 0.00 59.36 59.93 1djw h GLU 231 Cb 1.90 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.61 1djw h GLU 231 CO -0.08 1.08 -0.47 0.00 -1.16 0.00 0.00 179.01 178.38 1djw h ARG 232 N 0.03 0.00 0.09 2.33 2.47 -0.53 -2.29 114.38 116.49 1djw h ARG 232 Ca -0.08 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.47 1djw h ARG 232 Cb 1.87 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 30.21 1djw h ARG 232 CO 0.16 0.47 -0.74 1.25 0.56 0.00 0.00 179.97 181.67 1djw h LEU 233 N 0.00 0.49 -0.46 3.04 5.85 -0.40 -3.02 115.31 120.80 1djw h LEU 233 Ca -0.00 -0.89 0.05 0.00 0.84 0.00 0.00 57.88 57.87 1djw h LEU 233 Cb 1.10 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 1djw h LEU 233 CO 0.06 1.33 0.21 0.58 -0.34 0.00 0.00 178.44 180.28 1djw h VAL 234 N -0.28 0.93 -0.27 1.05 2.07 -1.26 0.15 116.25 118.63 1djw h VAL 234 Ca -0.12 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1djw h VAL 234 Cb 1.53 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1djw h VAL 234 CO 0.14 0.07 0.18 0.74 0.02 0.00 0.00 177.57 178.73 1djw h THR 235 N 0.41 1.04 0.12 2.57 2.02 -1.48 0.13 112.91 117.73 1djw h THR 235 Ca 0.20 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 1djw h THR 235 Cb 0.15 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1djw h THR 235 CO -0.17 0.06 -0.06 0.15 0.37 0.00 0.00 175.52 175.88 1djw h PHE 236 N 0.32 -0.14 -0.99 3.16 3.57 -0.89 0.31 116.94 122.28 1djw h PHE 236 Ca 0.10 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.75 1djw h PHE 236 Cb 0.02 0.05 -0.09 0.00 2.79 0.00 0.00 35.95 38.71 1djw h PHE 236 CO -0.00 0.28 0.61 -0.07 -2.23 0.00 0.00 178.31 176.90 1djw h LEU 237 N -0.62 0.84 0.00 0.59 3.38 -0.14 0.74 115.31 120.11 1djw h LEU 237 Ca -0.02 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1djw h LEU 237 Cb 0.49 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1djw h LEU 237 CO 0.03 0.38 -0.10 1.56 0.09 0.00 0.00 178.44 180.40 1djw h GLN 238 N 0.87 0.00 -0.36 1.13 4.20 -0.68 0.20 115.11 120.47 1djw h GLN 238 Ca 0.53 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 59.16 1djw h GLN 238 Cb 0.68 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1djw h GLN 238 CO -0.32 0.34 -0.10 1.25 -0.67 0.00 0.00 178.83 179.33 1djw h HIS 239 N -1.00 0.79 0.00 2.96 2.76 -0.22 -2.22 115.15 118.22 1djw h HIS 239 Ca -0.02 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 57.98 1djw h HIS 239 Cb 0.40 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.16 1djw h HIS 239 CO 0.07 0.86 -0.52 1.04 -1.30 0.00 0.00 177.93 178.08 1djw n GLN 240 N -4.38 0.45 0.00 5.26 1.13 0.24 -4.42 117.38 115.67 1djw n GLN 240 Ca -0.02 0.51 0.12 0.00 -1.94 0.00 0.00 57.00 55.67 1djw n GLN 240 Cb 0.35 -1.67 0.56 0.00 0.11 0.00 0.00 30.24 29.59 1djw n GLN 240 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1djw n GLN 241 N -4.58 0.15 -3.67 -1.09 1.13 -0.29 -3.75 117.38 105.27 1djw n GLN 241 Ca -0.07 0.07 -0.28 0.00 -1.94 0.00 0.00 57.00 54.78 1djw n GLN 241 Cb 0.27 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.13 1djw n GLN 241 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1djw n ARG 242 N -1.41 -4.23 -2.41 -1.09 5.12 0.07 -4.46 116.66 108.26 1djw n ARG 242 Ca 0.08 0.53 -0.41 0.00 -1.93 0.00 0.00 57.85 56.13 1djw n ARG 242 Cb 0.25 -5.33 -0.04 0.00 -1.16 0.00 0.00 32.46 26.18 1djw n ARG 242 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1djw s GLU 243 N -6.36 4.53 -0.01 5.56 0.41 0.47 -4.91 118.70 118.39 1djw s GLU 243 Ca 0.55 1.85 -0.20 0.00 -0.41 0.00 0.00 54.97 56.75 1djw s GLU 243 Cb -0.28 -3.23 -0.25 0.00 -1.78 0.00 0.00 34.13 28.59 1djw s GLU 243 CO 0.67 -0.00 1.06 0.93 -0.49 0.00 0.00 175.26 177.43 1djw h GLU 244 N 4.85 0.38 -0.86 1.61 4.39 -1.90 -3.04 114.58 120.00 1djw h GLU 244 Ca -0.45 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 58.81 1djw h GLU 244 Cb 1.21 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1djw h GLU 244 CO 0.72 1.12 0.00 0.39 -1.16 0.00 0.00 179.01 180.08 1djw n GLU 245 N -4.22 0.82 -1.70 2.33 1.02 -1.26 -4.87 120.64 112.76 1djw n GLU 245 Ca -0.11 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.60 1djw n GLU 245 Cb 0.69 -1.37 -0.01 0.00 -0.02 0.00 0.00 31.44 30.73 1djw n GLU 245 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1djw n ALA 246 N 0.15 1.40 0.00 0.62 0.00 -1.15 -4.60 120.51 116.94 1djw n ALA 246 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.81 1djw n ALA 246 Cb 0.23 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.40 1djw n ALA 246 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djw n GLY 247 N 1.10 2.89 0.39 0.00 0.00 -1.26 -4.97 105.19 103.33 1djw n GLY 247 Ca 0.06 -1.08 0.21 0.00 0.00 0.00 0.00 46.02 45.21 1djw n GLY 247 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1djw h PRO 248 N 0.00 0.44 -0.45 1.61 0.13 -1.90 -0.35 132.00 131.48 1djw h PRO 248 Ca 0.00 -0.03 0.08 0.00 -0.87 0.00 0.00 66.00 65.18 1djw h PRO 248 Cb 0.00 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 30.97 1djw h PRO 248 CO 0.00 0.29 0.08 0.00 -0.23 0.00 0.00 178.00 178.14 1djw h ALA 249 N 1.65 0.49 0.70 -0.56 0.00 -1.93 0.19 119.26 119.80 1djw h ALA 249 Ca 0.61 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.58 1djw h ALA 249 Cb 1.42 0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.35 1djw h ALA 249 CO -0.35 -0.33 -0.33 1.25 0.00 0.00 0.00 179.25 179.49 1djw h LEU 250 N 0.21 -0.79 -1.05 0.00 5.85 -1.34 -1.96 115.31 116.23 1djw h LEU 250 Ca 0.22 0.01 0.29 0.00 0.84 0.00 0.00 57.88 59.24 1djw h LEU 250 Cb 0.30 0.20 -0.13 0.00 0.37 0.00 0.00 40.66 41.40 1djw h LEU 250 CO -0.31 -0.43 0.60 0.00 -0.34 0.00 0.00 178.44 177.96 1djw h ALA 251 N -1.10 1.94 -0.12 1.25 0.00 -1.04 0.15 119.26 120.35 1djw h ALA 251 Ca -0.10 0.15 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 1djw h ALA 251 Cb 0.74 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1djw h ALA 251 CO 0.16 -0.49 -0.83 -0.07 0.00 0.00 0.00 179.25 178.02 1djw h LEU 252 N 0.42 0.91 -0.67 0.00 3.38 -0.57 -2.12 115.31 116.66 1djw h LEU 252 Ca 0.69 -0.62 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1djw h LEU 252 Cb 1.52 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1djw h LEU 252 CO -0.53 1.42 -0.17 0.77 0.09 0.00 0.00 178.44 180.02 1djw h SER 253 N 0.49 0.86 0.01 -0.43 4.64 -0.02 0.19 113.55 119.31 1djw h SER 253 Ca -0.07 -0.30 0.01 0.00 -0.47 0.00 0.00 61.79 60.97 1djw h SER 253 Cb 1.46 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 1djw h SER 253 CO 0.17 1.03 -0.05 -0.07 -0.87 0.00 0.00 176.83 177.03 1djw h LEU 254 N 0.76 -0.14 -0.31 5.97 3.38 -0.79 0.50 115.31 124.68 1djw h LEU 254 Ca 0.11 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1djw h LEU 254 Cb 0.70 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1djw h LEU 254 CO 0.05 -0.07 0.18 0.40 0.09 0.00 0.00 178.44 179.09 1djw h ILE 255 N -0.09 1.03 0.11 1.22 2.04 -1.10 1.12 117.51 121.84 1djw h ILE 255 Ca 0.02 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1djw h ILE 255 Cb 0.11 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1djw h ILE 255 CO -0.04 0.07 -0.15 -0.08 0.00 0.00 0.00 178.15 177.95 1djw h GLU 256 N 0.37 -0.29 -0.58 2.37 4.57 -0.26 0.25 114.58 121.01 1djw h GLU 256 Ca 0.12 0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.28 1djw h GLU 256 Cb 0.00 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.63 1djw h GLU 256 CO -0.06 -0.19 0.22 -0.09 -1.18 0.00 0.00 179.01 177.70 1djw h ARG 257 N -0.30 0.88 0.00 1.92 2.43 0.56 -3.38 114.38 116.49 1djw h ARG 257 Ca 0.02 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1djw h ARG 257 Cb 0.31 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1djw h ARG 257 CO -0.07 0.77 -1.32 0.66 -1.51 0.00 0.00 179.97 178.50 1djw n TYR 258 N -4.46 0.00 -1.93 2.20 4.01 0.38 -5.01 117.16 112.36 1djw n TYR 258 Ca 0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.35 1djw n TYR 258 Cb 0.18 -0.18 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 1djw n TYR 258 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1djw s GLU 259 N -2.54 4.08 0.14 -0.72 2.56 0.07 -4.53 118.70 117.75 1djw s GLU 259 Ca -0.03 2.21 -0.04 0.00 0.00 0.00 0.00 54.97 57.12 1djw s GLU 259 Cb 0.06 -4.05 -0.06 0.00 2.00 0.00 0.00 34.13 32.07 1djw s GLU 259 CO 0.36 -0.98 1.33 -1.00 -0.56 0.00 0.00 175.26 174.41 1djw h PRO 260 N 10.18 0.40 -6.19 4.30 0.13 -1.90 -3.43 132.00 135.48 1djw h PRO 260 Ca -0.41 -0.41 -0.55 0.00 -0.87 0.00 0.00 66.00 63.76 1djw h PRO 260 Cb 1.19 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.40 1djw h PRO 260 CO 0.96 1.07 1.28 0.45 -0.23 0.00 0.00 178.00 181.53 1djw s SER 261 N -7.05 5.71 0.39 1.44 0.15 -1.26 -4.82 113.70 108.26 1djw s SER 261 Ca -0.06 0.86 0.17 0.00 0.70 0.00 0.00 55.95 57.63 1djw s SER 261 Cb 0.09 -2.53 1.08 0.00 -1.71 0.00 0.00 66.02 62.95 1djw s SER 261 CO 0.86 -1.93 1.78 -0.08 1.20 0.00 0.00 173.24 175.07 1djw h GLU 262 N 13.38 0.41 0.31 5.44 4.57 -1.99 0.28 114.58 136.98 1djw h GLU 262 Ca -0.30 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.84 1djw h GLU 262 Cb 1.16 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1djw h GLU 262 CO 1.11 0.27 -0.15 1.79 -1.18 0.00 0.00 179.01 180.85 1djw h THR 263 N 0.42 0.00 -0.97 0.32 1.35 -1.97 -1.84 112.91 110.22 1djw h THR 263 Ca 0.59 -0.47 0.18 0.00 -0.55 0.00 0.00 66.41 66.16 1djw h THR 263 Cb 1.44 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 67.78 1djw h THR 263 CO -0.30 0.00 0.61 0.00 -0.25 0.00 0.00 175.52 175.58 1djw h ALA 264 N -1.34 1.81 0.07 6.62 0.00 -1.74 0.40 119.26 125.08 1djw h ALA 264 Ca -0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1djw h ALA 264 Cb 0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1djw h ALA 264 CO 0.07 -0.12 -0.13 -0.22 0.00 0.00 0.00 179.25 178.85 1djw h LYS 265 N 0.70 -0.21 -1.08 0.00 3.64 -0.51 0.34 116.57 119.45 1djw h LYS 265 Ca 0.52 0.01 0.30 0.00 -1.27 0.00 0.00 60.65 60.21 1djw h LYS 265 Cb 0.89 0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.65 1djw h LYS 265 CO -0.29 -0.14 0.69 0.00 -2.27 0.00 0.00 179.45 177.45 1djw h ALA 266 N -1.41 2.30 -0.35 5.00 0.00 -0.05 0.30 119.26 125.04 1djw h ALA 266 Ca -0.01 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 1djw h ALA 266 Cb 0.20 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1djw h ALA 266 CO -0.05 -0.75 0.13 1.04 0.00 0.00 0.00 179.25 179.62 1djw n GLN 267 N -4.66 2.30 -3.93 0.00 6.02 0.12 -4.91 117.38 112.33 1djw n GLN 267 Ca 0.27 -1.45 -0.29 0.00 -0.01 0.00 0.00 57.00 55.53 1djw n GLN 267 Cb 0.97 -1.73 -0.01 0.00 1.02 0.00 0.00 30.24 30.49 1djw n GLN 267 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1djw n ARG 268 N 0.05 -2.41 -3.94 -1.09 1.74 0.11 -4.98 116.66 106.14 1djw n ARG 268 Ca 0.19 0.36 -0.10 0.00 -0.77 0.00 0.00 57.85 57.54 1djw n ARG 268 Cb 0.85 -4.20 -0.10 0.00 -1.02 0.00 0.00 32.46 27.99 1djw n ARG 268 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1djw s GLN 269 N -6.56 0.47 -0.07 5.56 -0.21 -0.03 -3.22 119.66 115.60 1djw s GLN 269 Ca 0.15 -0.65 0.05 0.00 0.02 0.00 0.00 55.36 54.93 1djw s GLN 269 Cb -0.06 0.18 -0.01 0.00 1.00 0.00 0.00 33.01 34.12 1djw s GLN 269 CO 0.90 -0.10 -0.23 1.41 -2.12 0.00 0.00 175.29 175.14 1djw s MET 270 N -1.99 2.71 0.64 2.91 -2.45 0.60 -3.83 119.30 117.90 1djw s MET 270 Ca -0.10 -0.87 -0.00 0.00 -1.25 0.00 0.00 55.69 53.46 1djw s MET 270 Cb -0.05 -2.24 0.08 0.00 1.25 0.00 0.00 34.83 33.87 1djw s MET 270 CO -0.02 0.35 0.90 0.95 1.05 0.00 0.00 175.02 178.24 1djw s THR 271 N -0.07 2.38 0.37 10.11 -4.23 -1.26 -0.24 115.64 122.70 1djw s THR 271 Ca -0.06 -0.60 0.04 0.00 -1.18 0.00 0.00 61.69 59.89 1djw s THR 271 Cb -0.14 -2.78 0.25 0.00 1.34 0.00 0.00 72.50 71.17 1djw s THR 271 CO 0.05 0.00 2.01 0.50 -0.54 0.00 0.00 174.62 176.64 1djw h LYS 272 N -0.27 0.72 -0.17 3.99 3.64 -1.99 0.34 116.57 122.84 1djw h LYS 272 Ca -0.40 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.92 1djw h LYS 272 Cb 1.28 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.94 1djw h LYS 272 CO 0.47 0.49 0.05 -0.44 -2.27 0.00 0.00 179.45 177.76 1djw h ASP 273 N 0.73 0.24 0.22 4.20 3.32 -1.98 0.23 116.42 123.39 1djw h ASP 273 Ca 0.20 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.97 1djw h ASP 273 Cb -0.05 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1djw h ASP 273 CO -0.04 0.38 -0.29 1.23 -1.72 0.00 0.00 179.24 178.80 1djw h GLY 274 N 0.09 0.12 0.96 2.75 0.00 -1.61 0.32 103.07 105.70 1djw h GLY 274 Ca 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1djw h GLY 274 CO -0.00 0.08 0.22 -2.75 0.00 0.00 0.00 176.54 174.09 1djw h PHE 275 N 0.10 0.65 -0.48 5.60 3.57 0.37 -0.37 116.94 126.39 1djw h PHE 275 Ca 0.01 -0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.35 1djw h PHE 275 Cb 0.57 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 1djw h PHE 275 CO 0.00 0.53 -0.22 1.25 -2.23 0.00 0.00 178.31 177.64 1djw h LEU 276 N 0.59 1.03 -0.19 0.59 5.85 -0.40 -1.79 115.31 120.99 1djw h LEU 276 Ca 0.15 -0.40 0.05 0.00 0.84 0.00 0.00 57.88 58.53 1djw h LEU 276 Cb 0.12 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 1djw h LEU 276 CO -0.02 1.20 -0.13 0.24 -0.34 0.00 0.00 178.44 179.40 1djw h MET 277 N 0.86 -0.12 0.02 1.25 2.86 -0.63 0.52 114.93 119.69 1djw h MET 277 Ca 0.11 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1djw h MET 277 Cb 0.81 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 1djw h MET 277 CO 0.07 -0.08 -0.09 -0.92 1.06 0.00 0.00 176.91 176.95 1djw h TYR 278 N -0.12 -0.22 0.00 -0.22 3.20 -0.93 -1.54 116.97 117.14 1djw h TYR 278 Ca 0.11 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.98 1djw h TYR 278 Cb 0.29 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 1djw h TYR 278 CO -0.28 -0.14 -0.02 -0.07 -1.64 0.00 0.00 178.16 176.01 1djw h LEU 279 N -0.16 0.00 -1.92 2.82 3.38 -0.70 -1.04 115.31 117.69 1djw h LEU 279 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1djw h LEU 279 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1djw h LEU 279 CO -0.08 0.02 0.00 0.18 0.09 0.00 0.00 178.44 178.65 1djw n LEU 280 N -3.78 2.96 0.00 1.67 4.77 0.12 -3.99 117.00 118.74 1djw n LEU 280 Ca -0.03 -1.04 -0.21 0.00 -0.03 0.00 0.00 56.01 54.70 1djw n LEU 280 Cb 0.11 -0.04 0.12 0.00 -2.33 0.00 0.00 43.42 41.28 1djw n LEU 280 CO 0.28 0.52 0.56 -1.54 -1.33 0.00 0.00 177.39 175.87 1djw n SER 281 N 1.28 0.85 0.27 -1.43 3.41 -0.43 -4.90 113.62 112.68 1djw n SER 281 Ca 0.15 -1.81 0.13 0.00 -0.26 0.00 0.00 58.87 57.08 1djw n SER 281 Cb 0.58 -0.64 0.79 0.00 -0.26 0.00 0.00 64.21 64.67 1djw n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djw h ALA 282 N -0.95 1.43 0.00 7.33 0.00 -1.90 -0.28 119.26 124.90 1djw h ALA 282 Ca -0.31 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.40 1djw h ALA 282 Cb 1.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1djw h ALA 282 CO 0.29 0.09 -0.79 -0.44 0.00 0.00 0.00 179.25 178.40 1djw h ASP 283 N 0.00 0.00 0.96 0.00 3.32 -1.93 -3.22 116.42 115.54 1djw h ASP 283 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1djw h ASP 283 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1djw h ASP 283 CO 0.01 0.61 -0.44 0.61 -1.72 0.00 0.00 179.24 178.31 1djw n GLY 284 N 1.29 -1.46 3.65 2.75 0.00 -0.24 -4.93 105.19 106.25 1djw n GLY 284 Ca -0.01 -0.20 -0.47 0.00 0.00 0.00 0.00 46.02 45.34 1djw n GLY 284 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1djw n ASN 285 N -2.03 2.78 0.31 1.61 2.85 -0.45 -2.36 115.26 117.97 1djw n ASN 285 Ca 0.04 1.10 0.18 0.00 -0.11 0.00 0.00 54.58 55.79 1djw n ASN 285 Cb 0.42 -1.38 1.00 0.00 1.24 0.00 0.00 39.78 41.06 1djw n ASN 285 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1djw h ALA 286 N 5.44 1.19 -2.29 5.20 0.00 -1.59 -3.37 119.26 123.85 1djw h ALA 286 Ca -0.45 -0.02 -0.64 0.00 0.00 0.00 0.00 54.91 53.79 1djw h ALA 286 Cb 1.27 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 1djw h ALA 286 CO 0.85 0.03 0.10 0.12 0.00 0.00 0.00 179.25 180.35 1djw s PHE 287 N -4.24 3.12 -0.44 0.00 2.19 -1.26 -0.20 117.98 117.15 1djw s PHE 287 Ca -0.04 0.14 -0.41 0.00 0.33 0.00 0.00 56.93 56.95 1djw s PHE 287 Cb 0.13 -3.19 -0.17 0.00 -1.31 0.00 0.00 43.02 38.49 1djw s PHE 287 CO 0.49 -0.71 2.07 0.45 1.83 0.00 0.00 175.22 179.35 1djw n SER 288 N 6.08 1.34 -0.26 6.13 2.88 0.21 -4.85 113.62 125.15 1djw n SER 288 Ca -0.02 0.69 0.08 0.00 -1.33 0.00 0.00 58.87 58.29 1djw n SER 288 Cb 0.48 -1.02 0.33 0.00 -0.75 0.00 0.00 64.21 63.25 1djw n SER 288 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1djw h LEU 289 N 9.45 0.74 -1.19 2.46 5.85 -1.84 -1.19 115.31 129.59 1djw h LEU 289 Ca -0.21 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.59 1djw h LEU 289 Cb 1.38 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 1djw h LEU 289 CO 1.05 0.43 0.56 0.00 -0.34 0.00 0.00 178.44 180.14 1djw h ALA 290 N 1.57 1.54 0.00 1.25 0.00 -1.93 -0.29 119.26 121.40 1djw h ALA 290 Ca 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1djw h ALA 290 Cb 0.46 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1djw h ALA 290 CO -0.17 0.34 0.00 0.72 0.00 0.00 0.00 179.25 180.14 1djw n HIS 291 N -4.48 0.00 -0.63 0.00 8.25 -0.46 -3.46 115.22 114.44 1djw n HIS 291 Ca 0.13 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.41 1djw n HIS 291 Cb 0.19 -0.16 0.11 0.00 1.12 0.00 0.00 29.99 31.25 1djw n HIS 291 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1djw n ARG 292 N -1.16 1.92 -3.74 -0.41 1.74 -0.12 -1.68 116.66 113.20 1djw n ARG 292 Ca 0.17 -2.12 -0.12 0.00 -0.77 0.00 0.00 57.85 55.02 1djw n ARG 292 Cb 0.17 -1.83 -0.07 0.00 -1.02 0.00 0.00 32.46 29.70 1djw n ARG 292 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1djw s ARG 293 N -2.35 0.82 0.02 5.56 1.70 -1.22 -4.29 118.95 119.19 1djw s ARG 293 Ca 0.40 -0.48 -0.30 0.00 -0.47 0.00 0.00 55.73 54.89 1djw s ARG 293 Cb 0.34 0.36 -0.08 0.00 -0.57 0.00 0.00 34.95 34.99 1djw s ARG 293 CO 0.06 -0.26 1.85 0.08 -1.08 0.00 0.00 175.30 175.95 1djw s VAL 294 N -2.49 3.15 0.00 4.99 1.01 -1.25 -2.96 120.40 122.84 1djw s VAL 294 Ca -0.05 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1djw s VAL 294 Cb -0.01 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1djw s VAL 294 CO -0.03 -0.02 0.13 0.00 0.00 0.00 0.00 175.10 175.18 1djw n TYR 295 N 7.16 0.00 -2.88 5.22 4.11 -1.26 -4.96 117.16 124.55 1djw n TYR 295 Ca 0.19 -0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.88 1djw n TYR 295 Cb 0.41 -0.00 0.02 0.00 -0.00 0.00 0.00 39.34 39.77 1djw n TYR 295 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1djw s GLN 296 N -0.01 2.79 -0.59 -3.48 -0.21 -1.26 -4.99 119.66 111.91 1djw s GLN 296 Ca 0.00 -0.80 -0.26 0.00 0.02 0.00 0.00 55.36 54.32 1djw s GLN 296 Cb 0.00 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 1djw s GLN 296 CO 0.00 -0.44 2.01 0.34 -2.12 0.00 0.00 175.29 175.08 1djw s ASP 297 N -4.33 5.03 -0.14 5.90 -1.08 -1.26 -4.81 116.67 115.98 1djw s ASP 297 Ca 0.53 0.51 0.06 0.00 -0.52 0.00 0.00 52.55 53.13 1djw s ASP 297 Cb -0.10 -2.52 0.38 0.00 -1.46 0.00 0.00 42.92 39.22 1djw s ASP 297 CO 0.37 -2.54 1.19 0.23 0.52 0.00 0.00 175.17 174.94 1djw n MET 298 N 9.13 2.59 -0.10 4.34 2.81 -1.26 -4.27 117.12 130.36 1djw n MET 298 Ca 0.25 -1.51 0.04 0.00 -1.81 0.00 0.00 57.70 54.67 1djw n MET 298 Cb 0.53 -1.80 0.10 0.00 -0.71 0.00 0.00 33.22 31.33 1djw n MET 298 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1djw n ASP 299 N 0.16 2.46 -4.95 7.83 8.00 -1.26 -1.88 116.55 126.91 1djw n ASP 299 Ca 0.17 -1.83 -0.24 0.00 0.71 0.00 0.00 54.79 53.60 1djw n ASP 299 Cb 0.80 -0.13 0.04 0.00 -0.02 0.00 0.00 41.12 41.81 1djw n ASP 299 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1djw s GLN 300 N -0.93 2.62 0.41 -1.24 -0.21 -1.26 -4.78 119.66 114.27 1djw s GLN 300 Ca 0.16 -0.42 -0.25 0.00 0.02 0.00 0.00 55.36 54.87 1djw s GLN 300 Cb 0.09 -2.37 -0.08 0.00 1.00 0.00 0.00 33.01 31.65 1djw s GLN 300 CO 0.12 -0.78 1.23 -2.14 -2.12 0.00 0.00 175.29 171.61 1djw s PRO 301 N -4.91 3.97 0.29 2.91 0.02 -1.26 -3.80 135.00 132.22 1djw s PRO 301 Ca 0.56 1.99 0.07 0.00 0.02 0.00 0.00 61.00 63.63 1djw s PRO 301 Cb -0.10 -2.69 0.82 0.00 0.02 0.00 0.00 34.50 32.55 1djw s PRO 301 CO 0.41 -0.43 1.36 1.28 -0.33 0.00 0.00 177.00 179.30 1djw n LEU 302 N 0.04 0.02 0.13 -5.54 4.77 0.86 0.16 117.00 117.45 1djw n LEU 302 Ca 0.04 1.47 0.06 0.00 -0.03 0.00 0.00 56.01 57.55 1djw n LEU 302 Cb 0.45 -0.59 0.35 0.00 -2.33 0.00 0.00 43.42 41.30 1djw n LEU 302 CO 0.53 -1.53 0.75 -1.54 -1.33 0.00 0.00 177.39 174.27 1djw n SER 303 N -5.17 0.33 -0.47 -1.43 3.41 -1.26 -1.16 113.62 107.87 1djw n SER 303 Ca 0.24 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.55 1djw n SER 303 Cb 0.81 -0.55 0.33 0.00 -0.26 0.00 0.00 64.21 64.54 1djw n SER 303 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1djw n HIS 304 N -1.97 0.00 -4.29 7.33 8.25 0.12 -4.69 115.22 119.97 1djw n HIS 304 Ca -0.01 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.17 1djw n HIS 304 Cb 0.22 -0.04 -0.10 0.00 1.12 0.00 0.00 29.99 31.19 1djw n HIS 304 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1djw s TYR 305 N -2.25 2.60 0.08 4.41 1.51 -0.31 -0.49 117.35 122.90 1djw s TYR 305 Ca 0.29 -0.23 -0.24 0.00 -1.01 0.00 0.00 57.07 55.88 1djw s TYR 305 Cb 0.20 -1.32 -0.06 0.00 -0.11 0.00 0.00 41.96 40.67 1djw s TYR 305 CO 0.43 0.46 0.72 -0.51 -1.11 0.00 0.00 175.55 175.55 1djw s LEU 306 N -2.51 4.50 -0.08 -1.29 1.43 0.18 -4.71 118.68 116.20 1djw s LEU 306 Ca 0.22 1.44 0.05 0.00 -1.03 0.00 0.00 54.13 54.81 1djw s LEU 306 Cb -0.10 -3.17 -0.01 0.00 0.03 0.00 0.00 46.19 42.94 1djw s LEU 306 CO 0.13 0.11 -0.22 -0.69 0.23 0.00 0.00 176.35 175.91 1djw s VAL 307 N -0.50 2.30 -0.19 -1.59 1.01 -0.45 -1.21 120.40 119.77 1djw s VAL 307 Ca 0.36 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 1djw s VAL 307 Cb -0.21 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.28 1djw s VAL 307 CO 0.23 0.56 1.52 -0.55 0.00 0.00 0.00 175.10 176.86 1djw s SER 308 N -0.04 6.56 0.00 3.32 0.15 -0.72 -4.32 113.70 118.65 1djw s SER 308 Ca -0.06 1.68 0.03 0.00 0.70 0.00 0.00 55.95 58.30 1djw s SER 308 Cb -0.15 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.62 1djw s SER 308 CO 0.05 -1.09 -0.10 -0.44 1.20 0.00 0.00 173.24 172.86 1djw s SER 309 N 3.50 1.12 0.03 5.45 0.01 -1.26 -0.24 113.70 122.31 1djw s SER 309 Ca 0.67 -0.23 0.05 0.00 1.31 0.00 0.00 55.95 57.75 1djw s SER 309 Cb -0.25 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.84 1djw s SER 309 CO 0.26 0.08 -0.10 -0.94 0.41 0.00 0.00 173.24 172.95 1djw s SER 310 N -0.44 4.37 -0.15 2.44 1.04 -0.55 -2.34 113.70 118.09 1djw s SER 310 Ca 0.02 -0.26 -0.08 0.00 0.48 0.00 0.00 55.95 56.11 1djw s SER 310 Cb -0.05 -0.92 -0.04 0.00 0.10 0.00 0.00 66.02 65.12 1djw s SER 310 CO -0.00 0.25 0.13 -2.28 0.98 0.00 0.00 173.24 172.33 1djw s HIS 311 N -1.02 3.52 -1.50 5.02 5.04 0.19 -4.09 115.29 122.45 1djw s HIS 311 Ca 0.17 0.45 -0.03 0.00 -1.54 0.00 0.00 55.06 54.12 1djw s HIS 311 Cb -0.11 -2.01 0.00 0.00 0.04 0.00 0.00 32.58 30.51 1djw s HIS 311 CO 0.08 0.58 0.13 0.09 -2.34 0.00 0.00 174.74 173.28 1djw n ASN 312 N 2.50 0.32 -0.52 9.88 3.02 -1.26 -4.58 115.26 124.62 1djw n ASN 312 Ca -0.19 -1.23 0.43 0.00 -0.03 0.00 0.00 54.58 53.56 1djw n ASN 312 Cb 0.54 -1.86 0.71 0.00 -0.61 0.00 0.00 39.78 38.56 1djw n ASN 312 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1djw h THR 313 N -1.86 0.04 0.00 3.41 2.02 -1.77 -0.78 112.91 113.97 1djw h THR 313 Ca -0.66 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1djw h THR 313 Cb 1.40 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1djw h THR 313 CO 0.68 0.00 0.00 0.10 0.37 0.00 0.00 175.52 176.67 1djw h TYR 314 N 0.02 0.00 -3.55 3.16 -0.00 -1.86 -3.37 116.97 111.38 1djw h TYR 314 Ca 0.88 0.00 -0.52 0.00 -0.00 0.00 0.00 58.73 59.08 1djw h TYR 314 Cb 3.00 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 39.71 1djw h TYR 314 CO -0.00 0.00 0.24 -0.51 -0.00 0.00 0.00 178.16 177.89 1djw s LEU 315 N -5.86 4.55 -0.03 0.10 1.43 -0.30 -0.86 118.68 117.71 1djw s LEU 315 Ca -0.02 1.68 0.19 0.00 -1.03 0.00 0.00 54.13 54.96 1djw s LEU 315 Cb 0.10 -3.40 -0.22 0.00 0.03 0.00 0.00 46.19 42.70 1djw s LEU 315 CO 0.44 0.09 0.52 0.18 0.23 0.00 0.00 176.35 177.81 1djw n LEU 316 N 2.13 0.35 0.00 1.79 4.77 -0.75 -4.78 117.00 120.52 1djw n LEU 316 Ca -0.02 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1djw n LEU 316 Cb 0.49 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1djw n LEU 316 CO 0.48 0.18 0.00 -0.62 -1.33 0.00 0.00 177.39 176.10 1djw n GLU 317 N -2.64 0.00 -1.67 3.23 1.02 -1.26 -4.88 120.64 114.45 1djw n GLU 317 Ca -0.14 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.71 1djw n GLU 317 Cb 0.83 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 32.36 1djw n GLU 317 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1djw s ASP 318 N 1.00 4.03 0.00 1.62 -4.77 -1.26 -4.61 116.67 112.68 1djw s ASP 318 Ca 0.00 0.96 0.29 0.00 -3.30 0.00 0.00 52.55 50.49 1djw s ASP 318 Cb 0.00 -1.54 1.18 0.00 -1.09 0.00 0.00 42.92 41.47 1djw s ASP 318 CO 0.00 -2.22 1.83 0.00 0.70 0.00 0.00 175.17 175.48 1djw n GLN 319 N -3.55 0.69 -0.09 2.11 1.13 -0.21 -3.91 117.38 113.55 1djw n GLN 319 Ca 0.07 -0.25 -0.14 0.00 -1.94 0.00 0.00 57.00 54.74 1djw n GLN 319 Cb 0.59 -1.49 -0.08 0.00 0.11 0.00 0.00 30.24 29.37 1djw n GLN 319 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1djw n LEU 320 N -0.93 2.51 0.00 1.08 4.77 -1.26 -4.76 117.00 118.41 1djw n LEU 320 Ca 0.14 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1djw n LEU 320 Cb 0.28 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1djw n LEU 320 CO 0.24 0.67 0.00 0.35 -1.33 0.00 0.00 177.39 177.32 1djw n THR 321 N -3.23 0.00 -0.85 -5.08 -2.24 -1.26 -0.18 114.28 101.43 1djw n THR 321 Ca -0.32 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.18 1djw n THR 321 Cb 0.80 1.36 0.22 0.00 -2.10 0.00 0.00 70.33 70.62 1djw n THR 321 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1djw s GLY 322 N 0.00 1.55 0.61 3.38 0.00 -1.25 -4.42 107.32 107.18 1djw s GLY 322 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 44.72 44.33 1djw s GLY 322 CO 0.00 0.39 0.98 2.56 0.00 0.00 0.00 173.10 177.03 1djw s PRO 323 N -4.72 3.32 0.18 2.90 0.04 -1.26 -2.06 135.00 133.39 1djw s PRO 323 Ca 0.67 0.46 0.10 0.00 0.04 0.00 0.00 61.00 62.27 1djw s PRO 323 Cb -0.22 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1djw s PRO 323 CO 0.61 -0.62 -0.15 -1.12 0.04 0.00 0.00 177.00 175.76 1djw s SER 324 N -4.22 3.94 -0.08 6.66 0.01 -1.26 -1.81 113.70 116.93 1djw s SER 324 Ca 0.54 -0.67 -0.30 0.00 1.31 0.00 0.00 55.95 56.83 1djw s SER 324 Cb -0.11 -0.54 0.10 0.00 0.21 0.00 0.00 66.02 65.68 1djw s SER 324 CO 0.50 0.12 0.85 -0.55 0.41 0.00 0.00 173.24 174.57 1djw s SER 325 N -2.69 -0.47 0.38 2.44 0.15 -0.04 -4.81 113.70 108.65 1djw s SER 325 Ca 0.23 0.40 0.10 0.00 0.70 0.00 0.00 55.95 57.37 1djw s SER 325 Cb -0.09 0.41 0.74 0.00 -1.71 0.00 0.00 66.02 65.38 1djw s SER 325 CO 0.13 -0.52 1.87 0.71 1.20 0.00 0.00 173.24 176.63 1djw h THR 326 N 2.55 1.21 -0.88 6.45 1.35 -1.95 -2.00 112.91 119.64 1djw h THR 326 Ca -0.23 -0.97 0.16 0.00 -0.55 0.00 0.00 66.41 64.83 1djw h THR 326 Cb 1.18 1.38 -0.07 0.00 -1.73 0.00 0.00 68.15 68.91 1djw h THR 326 CO 0.34 0.29 0.57 -0.08 -0.25 0.00 0.00 175.52 176.39 1djw h GLU 327 N 0.16 0.55 -0.49 4.72 4.22 -1.94 0.42 114.58 122.21 1djw h GLU 327 Ca 0.03 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 1djw h GLU 327 Cb 0.49 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1djw h GLU 327 CO 0.03 0.36 0.20 0.00 -2.18 0.00 0.00 179.01 177.43 1djw h ALA 328 N 1.61 1.43 -0.14 2.92 0.00 -1.64 0.27 119.26 123.72 1djw h ALA 328 Ca 0.45 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 1djw h ALA 328 Cb 0.88 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1djw h ALA 328 CO -0.19 0.44 -0.20 1.88 0.00 0.00 0.00 179.25 181.18 1djw h TYR 329 N 0.70 0.47 -0.00 0.00 0.05 -0.32 -2.23 116.97 115.64 1djw h TYR 329 Ca 0.17 -0.16 0.02 0.00 0.05 0.00 0.00 58.73 58.81 1djw h TYR 329 Cb 0.14 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 37.76 1djw h TYR 329 CO 0.01 0.81 -0.09 0.82 -1.05 0.00 0.00 178.16 178.66 1djw h ILE 330 N -0.00 0.78 -0.33 -2.88 2.04 -0.57 -0.55 117.51 115.99 1djw h ILE 330 Ca 0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1djw h ILE 330 Cb 0.76 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 1djw h ILE 330 CO 0.05 0.00 0.14 -0.09 0.00 0.00 0.00 178.15 178.24 1djw h ARG 331 N -0.15 0.28 -0.60 2.37 2.43 -0.50 0.25 114.38 118.46 1djw h ARG 331 Ca 0.03 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1djw h ARG 331 Cb 0.19 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1djw h ARG 331 CO -0.09 0.19 0.36 0.00 -1.51 0.00 0.00 179.97 178.92 1djw h ALA 332 N 1.20 0.78 -0.59 2.80 0.00 -1.10 -1.17 119.26 121.17 1djw h ALA 332 Ca 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1djw h ALA 332 Cb 0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1djw h ALA 332 CO -0.13 0.08 0.18 -0.07 0.00 0.00 0.00 179.25 179.31 1djw h LEU 333 N 0.70 0.87 -2.27 0.00 3.38 -0.47 -0.03 115.31 117.48 1djw h LEU 333 Ca 0.25 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1djw h LEU 333 Cb 0.06 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 1djw h LEU 333 CO -0.12 0.85 -0.01 0.00 0.09 0.00 0.00 178.44 179.25 1djw n LYS 335 N -3.14 2.54 -0.70 0.00 5.02 -0.50 -4.88 118.16 116.50 1djw n LYS 335 Ca -0.01 -1.81 0.00 0.00 -2.02 0.00 0.00 58.31 54.47 1djw n LYS 335 Cb 0.18 -1.57 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1djw n LYS 335 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1djw n GLY 336 N 0.98 0.70 3.69 0.72 0.00 0.25 -5.02 105.19 106.53 1djw n GLY 336 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1djw n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djw n ARG 338 N 2.46 0.48 -3.53 0.00 5.12 0.66 -4.60 116.66 117.26 1djw n ARG 338 Ca 0.12 0.13 -0.42 0.00 -1.93 0.00 0.00 57.85 55.75 1djw n ARG 338 Cb 0.33 -1.37 -0.10 0.00 -1.16 0.00 0.00 32.46 30.15 1djw n ARG 338 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1djw s LEU 340 N 1.60 4.13 -0.15 0.00 1.43 -0.19 -1.47 118.68 124.03 1djw s LEU 340 Ca 0.03 0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1djw s LEU 340 Cb -0.19 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 1djw s LEU 340 CO 0.08 0.03 -0.06 -1.61 0.23 0.00 0.00 176.35 175.03 1djw s GLU 341 N -3.34 3.61 -0.18 1.70 2.02 -1.26 -0.25 118.70 121.00 1djw s GLU 341 Ca 0.33 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.77 1djw s GLU 341 Cb -0.10 -2.86 0.04 0.00 0.10 0.00 0.00 34.13 31.30 1djw s GLU 341 CO 0.27 0.23 -0.11 -0.51 0.02 0.00 0.00 175.26 175.16 1djw s LEU 342 N 0.37 2.03 -0.50 1.80 1.02 0.21 -3.83 118.68 119.79 1djw s LEU 342 Ca -0.05 -0.73 -0.15 0.00 0.02 0.00 0.00 54.13 53.21 1djw s LEU 342 Cb -0.15 -1.19 0.10 0.00 0.02 0.00 0.00 46.19 44.97 1djw s LEU 342 CO 0.03 -0.12 0.43 -1.81 0.02 0.00 0.00 176.35 174.91 1djw s ASP 343 N 1.44 6.11 -0.20 2.29 1.11 -1.26 -0.76 116.67 125.40 1djw s ASP 343 Ca 0.01 -1.58 -0.12 0.00 0.18 0.00 0.00 52.55 51.04 1djw s ASP 343 Cb -0.15 -2.17 -0.05 0.00 1.07 0.00 0.00 42.92 41.62 1djw s ASP 343 CO -0.09 -0.74 0.23 0.00 1.18 0.00 0.00 175.17 175.76 1djw s TRP 345 N 0.72 0.86 0.46 0.00 0.52 0.04 -0.18 118.94 121.36 1djw s TRP 345 Ca 0.12 -0.65 -0.24 0.00 0.02 0.00 0.00 56.10 55.35 1djw s TRP 345 Cb -0.13 -0.49 -0.07 0.00 -1.15 0.00 0.00 33.47 31.62 1djw s TRP 345 CO 0.03 -0.07 1.33 -0.51 0.02 0.00 0.00 176.95 177.75 1djw s ASP 346 N -2.22 5.93 0.30 2.95 1.11 -1.26 0.60 116.67 124.08 1djw s ASP 346 Ca 0.00 2.72 0.03 0.00 0.18 0.00 0.00 52.55 55.47 1djw s ASP 346 Cb -0.04 -2.64 -0.05 0.00 1.07 0.00 0.00 42.92 41.27 1djw s ASP 346 CO -0.01 -1.12 0.11 -0.83 1.18 0.00 0.00 175.17 174.50 1djw s GLY 347 N -0.79 2.00 0.94 0.21 0.00 -1.14 -4.53 107.32 104.00 1djw s GLY 347 Ca 0.62 -1.79 -0.10 0.00 0.00 0.00 0.00 44.72 43.45 1djw s GLY 347 CO 0.49 -1.66 1.08 -1.05 0.00 0.00 0.00 173.10 171.96 1djw n PRO 348 N -0.59 -0.58 -2.11 2.90 -0.02 -1.26 -2.77 135.00 130.58 1djw n PRO 348 Ca -0.01 -0.11 -0.17 0.00 -2.02 0.00 0.00 63.50 61.20 1djw n PRO 348 Cb 0.66 -2.33 -0.03 0.00 -0.02 0.00 0.00 33.50 31.78 1djw n PRO 348 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1djw n ASN 349 N -4.08 -4.84 -2.58 2.55 3.02 -1.26 -1.15 115.26 106.91 1djw n ASN 349 Ca 0.11 0.19 -0.15 0.00 -0.03 0.00 0.00 54.58 54.70 1djw n ASN 349 Cb 0.52 -4.15 -0.00 0.00 -0.61 0.00 0.00 39.78 35.53 1djw n ASN 349 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1djw n GLN 350 N -2.66 -2.47 -3.79 3.52 1.13 -1.11 -4.92 117.38 107.09 1djw n GLN 350 Ca -0.19 0.64 -0.37 0.00 -1.94 0.00 0.00 57.00 55.14 1djw n GLN 350 Cb 0.62 -5.27 -0.13 0.00 0.11 0.00 0.00 30.24 25.57 1djw n GLN 350 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1djw s GLU 351 N -5.19 2.77 0.62 -1.09 0.41 -0.30 -4.87 118.70 111.04 1djw s GLU 351 Ca 0.07 -1.07 -0.19 0.00 -0.41 0.00 0.00 54.97 53.37 1djw s GLU 351 Cb -0.03 -3.36 -0.03 0.00 -1.78 0.00 0.00 34.13 28.93 1djw s GLU 351 CO 0.08 -0.57 1.16 -2.30 -0.49 0.00 0.00 175.26 173.15 1djw n PRO 352 N 4.80 1.09 -4.47 0.39 -0.02 -1.26 -2.90 135.00 132.62 1djw n PRO 352 Ca -0.14 0.42 -0.23 0.00 -2.02 0.00 0.00 63.50 61.54 1djw n PRO 352 Cb 0.46 -2.38 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 1djw n PRO 352 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1djw s ILE 353 N -1.43 1.54 -0.05 4.25 -4.36 0.20 -2.02 121.20 119.33 1djw s ILE 353 Ca 0.79 -2.05 0.04 0.00 -0.26 0.00 0.00 60.65 59.16 1djw s ILE 353 Cb -0.40 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 40.62 1djw s ILE 353 CO 0.44 -0.13 -0.16 -0.63 0.24 0.00 0.00 174.94 174.71 1djw s ILE 354 N -3.06 1.35 -0.05 8.37 1.01 0.47 -0.78 121.20 128.51 1djw s ILE 354 Ca 0.33 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 1djw s ILE 354 Cb 0.07 -1.18 0.11 0.00 0.01 0.00 0.00 42.46 41.47 1djw s ILE 354 CO 0.15 0.40 1.33 -0.72 0.00 0.00 0.00 174.94 176.09 1djw s TYR 355 N 0.27 -0.00 -0.46 3.97 1.13 -1.14 -1.06 117.35 120.05 1djw s TYR 355 Ca -0.08 -0.07 -0.26 0.00 -1.41 0.00 0.00 57.07 55.24 1djw s TYR 355 Cb -0.13 0.54 0.03 0.00 -1.10 0.00 0.00 41.96 41.29 1djw s TYR 355 CO 0.03 -0.18 0.97 -1.58 -2.51 0.00 0.00 175.55 172.28 1djw s HIS 356 N -2.12 2.90 0.26 -3.49 5.65 -1.26 -4.69 115.29 112.54 1djw s HIS 356 Ca 0.23 0.46 -0.31 0.00 0.25 0.00 0.00 55.06 55.69 1djw s HIS 356 Cb 0.03 -4.07 -0.13 0.00 -1.18 0.00 0.00 32.58 27.23 1djw s HIS 356 CO -0.03 -1.13 1.43 0.41 -0.65 0.00 0.00 174.74 174.77 1djw n GLY 357 N 4.91 0.86 2.18 1.59 0.00 -1.26 -2.26 105.19 111.21 1djw n GLY 357 Ca 0.07 0.48 -0.06 0.00 0.00 0.00 0.00 46.02 46.51 1djw n GLY 357 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1djw n TYR 358 N 1.82 0.00 -4.30 1.61 4.01 -1.26 -5.01 117.16 114.03 1djw n TYR 358 Ca 0.10 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.69 1djw n TYR 358 Cb 0.33 -1.34 -0.05 0.00 -0.31 0.00 0.00 39.34 37.98 1djw n TYR 358 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1djw n THR 359 N -2.82 0.00 -0.45 -0.72 -2.24 -0.96 -5.04 114.28 102.05 1djw n THR 359 Ca -0.06 -1.50 0.09 0.00 -2.27 0.00 0.00 64.05 60.31 1djw n THR 359 Cb 0.20 0.56 0.28 0.00 -2.10 0.00 0.00 70.33 69.27 1djw n THR 359 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1djw n PHE 360 N -0.56 0.98 -1.72 4.78 3.01 0.74 -4.94 117.46 119.76 1djw n PHE 360 Ca -0.03 -0.57 -0.42 0.00 1.01 0.00 0.00 57.45 57.44 1djw n PHE 360 Cb 0.38 -0.12 -0.00 0.00 -0.01 0.00 0.00 39.48 39.74 1djw n PHE 360 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1djw n THR 361 N 0.94 2.08 -0.60 4.37 -2.24 -1.02 -4.62 114.28 113.18 1djw n THR 361 Ca 0.21 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 61.19 1djw n THR 361 Cb 0.68 -1.70 0.22 0.00 -2.10 0.00 0.00 70.33 67.42 1djw n THR 361 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1djw s SER 362 N -0.28 1.73 0.17 3.42 1.04 -0.87 -4.67 113.70 114.23 1djw s SER 362 Ca 0.55 1.79 0.11 0.00 0.48 0.00 0.00 55.95 58.88 1djw s SER 362 Cb -0.53 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.13 1djw s SER 362 CO 0.62 -3.78 -0.22 -0.54 0.98 0.00 0.00 173.24 170.30 1djw s LYS 363 N -4.53 1.59 0.13 4.02 1.02 -1.26 -4.09 119.74 116.62 1djw s LYS 363 Ca 0.68 -1.42 -0.01 0.00 0.02 0.00 0.00 55.97 55.24 1djw s LYS 363 Cb -0.24 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 1djw s LYS 363 CO 0.62 0.42 0.05 0.96 -0.92 0.00 0.00 175.35 176.48 1djw s ILE 364 N -1.49 0.12 0.08 2.17 -4.36 -0.22 -4.95 121.20 112.55 1djw s ILE 364 Ca 0.20 -1.91 -0.28 0.00 -0.26 0.00 0.00 60.65 58.40 1djw s ILE 364 Cb -0.09 -2.03 -0.06 0.00 1.25 0.00 0.00 42.46 41.54 1djw s ILE 364 CO 0.10 -0.49 0.88 -0.76 0.24 0.00 0.00 174.94 174.91 1djw s LEU 365 N -3.05 4.47 0.28 0.37 1.43 -1.26 0.18 118.68 121.10 1djw s LEU 365 Ca 0.23 1.64 0.01 0.00 -1.03 0.00 0.00 54.13 54.98 1djw s LEU 365 Cb 0.07 -3.43 0.54 0.00 0.03 0.00 0.00 46.19 43.40 1djw s LEU 365 CO 0.01 -0.04 1.83 0.15 0.23 0.00 0.00 176.35 178.53 1djw h PHE 366 N 5.68 1.11 -0.37 0.29 3.57 -1.68 -1.38 116.94 124.15 1djw h PHE 366 Ca -0.43 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.03 1djw h PHE 366 Cb 1.21 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1djw h PHE 366 CO 0.65 0.43 -0.03 0.00 -2.23 0.00 0.00 178.31 177.14 1djw h ASP 368 N 0.48 0.91 -0.49 0.00 3.32 -1.75 -1.76 116.42 117.13 1djw h ASP 368 Ca 0.10 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 1djw h ASP 368 Cb 0.51 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1djw h ASP 368 CO 0.02 0.67 0.14 0.58 -1.72 0.00 0.00 179.24 178.93 1djw h VAL 369 N 1.08 1.23 -0.76 -1.35 2.07 -0.96 -2.71 116.25 114.86 1djw h VAL 369 Ca 0.29 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1djw h VAL 369 Cb -0.11 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1djw h VAL 369 CO -0.06 0.29 0.49 -0.07 0.02 0.00 0.00 177.57 178.24 1djw h LEU 370 N 0.66 0.88 0.12 2.57 3.38 -0.47 -0.92 115.31 121.52 1djw h LEU 370 Ca 0.16 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1djw h LEU 370 Cb 0.29 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1djw h LEU 370 CO -0.00 0.65 -0.06 0.03 0.09 0.00 0.00 178.44 179.15 1djw h ARG 371 N 1.03 -0.15 -0.63 1.13 3.08 -1.09 0.46 114.38 118.22 1djw h ARG 371 Ca 0.28 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.40 1djw h ARG 371 Cb -0.10 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 29.93 1djw h ARG 371 CO -0.06 0.01 0.33 0.00 -1.07 0.00 0.00 179.97 179.18 1djw h ALA 372 N 0.59 0.84 -0.44 0.04 0.00 -1.15 0.28 119.26 119.40 1djw h ALA 372 Ca -0.02 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1djw h ALA 372 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1djw h ALA 372 CO 0.03 -0.02 0.26 0.82 0.00 0.00 0.00 179.25 180.34 1djw h ILE 373 N 0.61 1.15 -0.35 0.00 2.04 -0.95 -1.62 117.51 118.39 1djw h ILE 373 Ca 0.29 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1djw h ILE 373 Cb 0.21 0.59 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1djw h ILE 373 CO -0.20 0.15 0.04 -0.09 0.00 0.00 0.00 178.15 178.06 1djw h ARG 374 N 0.58 0.14 0.00 2.37 2.43 0.62 0.51 114.38 121.03 1djw h ARG 374 Ca 0.16 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1djw h ARG 374 Cb 0.02 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1djw h ARG 374 CO -0.03 0.09 0.00 -0.44 -1.51 0.00 0.00 179.97 178.09 1djw h ASP 375 N 0.14 0.00 0.00 -3.80 3.32 -0.06 -3.33 116.42 112.70 1djw h ASP 375 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1djw h ASP 375 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1djw h ASP 375 CO -0.25 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.05 1djw n TYR 376 N -2.85 0.00 -0.35 4.55 4.02 -0.61 -4.78 117.16 117.15 1djw n TYR 376 Ca 0.01 0.00 0.30 0.00 -0.01 0.00 0.00 57.90 58.19 1djw n TYR 376 Cb 0.27 0.00 0.56 0.00 -0.02 0.00 0.00 39.34 40.14 1djw n TYR 376 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1djw h ALA 377 N 0.00 2.18 -0.01 -0.72 0.00 -0.13 -1.86 119.26 118.71 1djw h ALA 377 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1djw h ALA 377 Cb 0.05 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1djw h ALA 377 CO 0.00 -0.87 0.00 1.19 0.00 0.00 0.00 179.25 179.57 1djw n PHE 378 N -5.09 0.02 -0.23 0.00 3.72 -1.26 -4.61 117.46 110.01 1djw n PHE 378 Ca 0.35 -0.84 0.03 0.00 -0.05 0.00 0.00 57.45 56.94 1djw n PHE 378 Cb 1.19 -0.12 0.27 0.00 -0.94 0.00 0.00 39.48 39.88 1djw n PHE 378 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1djw h LYS 379 N 0.05 0.93 0.00 -1.08 3.64 -1.64 -3.09 116.57 115.39 1djw h LYS 379 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1djw h LYS 379 Cb 0.86 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1djw h LYS 379 CO 0.00 0.61 -1.24 0.00 -2.27 0.00 0.00 179.45 176.56 1djw n ALA 380 N -2.42 3.70 -3.47 5.00 0.00 -1.26 -4.99 120.51 117.06 1djw n ALA 380 Ca 0.10 -0.48 -0.15 0.00 0.00 0.00 0.00 53.44 52.91 1djw n ALA 380 Cb 0.12 -0.65 -0.04 0.00 0.00 0.00 0.00 19.45 18.88 1djw n ALA 380 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1djw s SER 381 N -3.26 -0.61 0.01 0.00 0.15 -1.17 -4.62 113.70 104.21 1djw s SER 381 Ca 0.01 0.36 0.22 0.00 0.70 0.00 0.00 55.95 57.24 1djw s SER 381 Cb 0.13 0.56 -0.09 0.00 -1.71 0.00 0.00 66.02 64.91 1djw s SER 381 CO 0.75 -0.78 0.92 -0.81 1.20 0.00 0.00 173.24 174.52 1djw n PRO 382 N 0.27 0.21 -1.84 5.44 -0.04 -1.26 -4.11 135.00 133.66 1djw n PRO 382 Ca -0.18 -0.03 -0.33 0.00 -0.04 0.00 0.00 63.50 62.92 1djw n PRO 382 Cb 0.61 -1.54 0.04 0.00 -0.04 0.00 0.00 33.50 32.57 1djw n PRO 382 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1djw s TYR 383 N -3.16 2.72 0.39 0.54 2.02 -1.26 -0.74 117.35 117.86 1djw s TYR 383 Ca 0.04 1.54 -0.26 0.00 -0.37 0.00 0.00 57.07 58.02 1djw s TYR 383 Cb 0.15 -3.13 -0.11 0.00 -0.40 0.00 0.00 41.96 38.47 1djw s TYR 383 CO 0.84 -1.54 1.09 -0.35 -1.57 0.00 0.00 175.55 174.02 1djw n PRO 384 N -2.29 1.55 -3.86 -1.71 -0.04 -1.25 -4.61 135.00 122.78 1djw n PRO 384 Ca 0.10 0.55 -0.35 0.00 -0.04 0.00 0.00 63.50 63.76 1djw n PRO 384 Cb 0.52 -2.10 -0.09 0.00 -0.04 0.00 0.00 33.50 31.79 1djw n PRO 384 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1djw s VAL 385 N -1.20 5.09 -0.20 0.52 1.01 -0.78 -4.82 120.40 120.01 1djw s VAL 385 Ca 0.61 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 1djw s VAL 385 Cb -0.58 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 1djw s VAL 385 CO 0.58 0.44 0.05 -0.63 0.00 0.00 0.00 175.10 175.54 1djw s ILE 386 N 0.41 4.45 -0.31 2.22 1.01 -0.41 -0.68 121.20 127.90 1djw s ILE 386 Ca 0.05 -0.14 -0.09 0.00 0.00 0.00 0.00 60.65 60.47 1djw s ILE 386 Cb -0.12 -3.02 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 1djw s ILE 386 CO -0.01 0.42 0.14 -0.76 0.00 0.00 0.00 174.94 174.74 1djw s LEU 387 N 0.80 4.04 -0.43 2.97 1.43 0.27 -1.02 118.68 126.74 1djw s LEU 387 Ca 0.03 -0.53 -0.23 0.00 -1.03 0.00 0.00 54.13 52.37 1djw s LEU 387 Cb -0.14 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.12 1djw s LEU 387 CO 0.02 -0.18 0.78 -0.55 0.23 0.00 0.00 176.35 176.65 1djw s SER 388 N 1.60 6.43 -0.22 2.29 0.15 0.65 0.07 113.70 124.67 1djw s SER 388 Ca 0.04 -0.03 -0.14 0.00 0.70 0.00 0.00 55.95 56.53 1djw s SER 388 Cb -0.17 -2.39 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 1djw s SER 388 CO 0.06 -0.88 0.30 -0.76 1.20 0.00 0.00 173.24 173.16 1djw s LEU 389 N 3.25 4.13 -0.40 3.45 1.43 -0.01 -0.62 118.68 129.92 1djw s LEU 389 Ca 0.30 0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 53.70 1djw s LEU 389 Cb -0.12 -2.34 0.10 0.00 0.03 0.00 0.00 46.19 43.85 1djw s LEU 389 CO 0.22 -0.02 0.20 -0.70 0.23 0.00 0.00 176.35 176.27 1djw s GLU 390 N 1.24 2.23 -0.31 1.70 2.12 0.06 -4.60 118.70 121.13 1djw s GLU 390 Ca 0.14 -1.66 -0.14 0.00 0.36 0.00 0.00 54.97 53.67 1djw s GLU 390 Cb -0.14 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 1djw s GLU 390 CO 0.07 -1.00 0.33 1.21 -0.54 0.00 0.00 175.26 175.33 1djw s ASN 391 N 1.89 6.17 -0.12 -1.70 2.47 -1.26 -0.17 114.94 122.21 1djw s ASN 391 Ca 0.05 -0.03 0.17 0.00 0.42 0.00 0.00 52.86 53.47 1djw s ASN 391 Cb -0.23 -2.18 0.28 0.00 -1.45 0.00 0.00 41.25 37.66 1djw s ASN 391 CO -0.02 -0.23 1.14 1.41 -3.72 0.00 0.00 177.10 175.68 1djw n HIS 392 N 5.29 0.00 -2.90 0.43 8.25 0.75 -4.98 115.22 122.06 1djw n HIS 392 Ca -0.10 -0.95 -0.31 0.00 -0.26 0.00 0.00 57.72 56.10 1djw n HIS 392 Cb 0.50 -0.15 -0.04 0.00 1.12 0.00 0.00 29.99 31.43 1djw n HIS 392 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1djw s SER 394 N -2.89 3.25 0.26 0.00 1.04 -1.26 -4.67 113.70 109.42 1djw s SER 394 Ca 0.53 1.69 -0.03 0.00 0.48 0.00 0.00 55.95 58.62 1djw s SER 394 Cb -0.10 -2.33 0.39 0.00 0.10 0.00 0.00 66.02 64.07 1djw s SER 394 CO 0.27 -2.81 1.87 -0.07 0.98 0.00 0.00 173.24 173.48 1djw h LEU 395 N -1.67 0.99 0.58 2.42 3.38 -1.94 0.17 115.31 119.25 1djw h LEU 395 Ca -0.49 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1djw h LEU 395 Cb 1.28 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 41.83 1djw h LEU 395 CO 0.51 0.63 -0.28 -0.08 0.09 0.00 0.00 178.44 179.31 1djw h GLU 396 N 1.13 -0.75 0.00 1.13 4.57 -2.00 -1.64 114.58 117.02 1djw h GLU 396 Ca 0.42 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.63 1djw h GLU 396 Cb 0.16 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 1djw h GLU 396 CO -0.17 -0.47 -0.11 1.96 -1.18 0.00 0.00 179.01 179.04 1djw h GLN 397 N -0.86 0.00 -0.74 1.92 4.20 -1.82 0.42 115.11 118.24 1djw h GLN 397 Ca -0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1djw h GLN 397 Cb 0.63 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1djw h GLN 397 CO 0.13 0.11 0.42 1.96 -0.67 0.00 0.00 178.83 180.77 1djw h GLN 398 N 0.00 1.02 -0.77 1.46 4.20 -0.37 0.78 115.11 121.43 1djw h GLN 398 Ca -0.00 -0.11 0.01 0.00 0.06 0.00 0.00 58.65 58.61 1djw h GLN 398 Cb 0.19 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.73 1djw h GLN 398 CO 0.01 0.75 0.51 0.00 -0.67 0.00 0.00 178.83 179.43 1djw h ARG 399 N 1.01 1.01 -0.43 1.46 3.08 0.02 0.03 114.38 120.57 1djw h ARG 399 Ca 0.26 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 1djw h ARG 399 Cb 0.02 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1djw h ARG 399 CO -0.04 0.67 0.15 0.28 -1.07 0.00 0.00 179.97 179.96 1djw h VAL 400 N 1.05 1.17 0.32 2.04 2.07 -0.23 -0.96 116.25 121.70 1djw h VAL 400 Ca 0.28 -0.56 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1djw h VAL 400 Cb -0.12 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1djw h VAL 400 CO -0.06 0.21 -0.15 0.24 0.02 0.00 0.00 177.57 177.83 1djw h MET 401 N 0.61 -0.41 -0.94 1.57 2.86 0.95 -1.41 114.93 118.16 1djw h MET 401 Ca 0.15 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.91 1djw h MET 401 Cb 0.16 0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.84 1djw h MET 401 CO -0.01 -0.19 0.60 0.00 1.06 0.00 0.00 176.91 178.37 1djw h ALA 402 N 0.09 1.58 -0.14 6.32 0.00 -0.81 0.63 119.26 126.93 1djw h ALA 402 Ca -0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1djw h ALA 402 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1djw h ALA 402 CO 0.07 0.23 0.09 0.00 0.00 0.00 0.00 179.25 179.64 1djw h ARG 403 N 0.96 0.19 -0.37 0.00 3.08 -0.77 -1.81 114.38 115.66 1djw h ARG 403 Ca 0.44 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.48 1djw h ARG 403 Cb 0.39 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1djw h ARG 403 CO -0.20 0.16 0.24 0.45 -1.07 0.00 0.00 179.97 179.55 1djw h HIS 404 N 0.17 0.45 -0.28 3.04 3.86 -0.17 0.18 115.15 122.41 1djw h HIS 404 Ca 0.05 0.01 0.06 0.00 -1.16 0.00 0.00 60.37 59.33 1djw h HIS 404 Cb 0.01 -0.15 -0.06 0.00 1.06 0.00 0.00 27.41 28.27 1djw h HIS 404 CO -0.06 0.28 -0.11 -0.07 0.86 0.00 0.00 177.93 178.83 1djw h LEU 405 N 0.49 -0.37 0.11 2.43 3.38 -0.56 0.40 115.31 121.18 1djw h LEU 405 Ca 0.14 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1djw h LEU 405 Cb -0.04 0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1djw h LEU 405 CO -0.04 -0.14 -0.05 -0.09 0.09 0.00 0.00 178.44 178.21 1djw h ARG 406 N -0.06 -0.15 -0.92 1.13 2.43 -1.14 0.81 114.38 116.49 1djw h ARG 406 Ca 0.14 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1djw h ARG 406 Cb 0.27 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.81 1djw h ARG 406 CO -0.32 0.17 0.55 0.00 -1.51 0.00 0.00 179.97 178.85 1djw h ALA 407 N 0.37 1.24 0.03 2.80 0.00 -0.30 0.22 119.26 123.62 1djw h ALA 407 Ca -0.02 -0.10 -0.28 0.00 0.00 0.00 0.00 54.91 54.51 1djw h ALA 407 Cb 0.38 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1djw h ALA 407 CO 0.03 0.65 -1.55 -0.89 0.00 0.00 0.00 179.25 177.48 1djw n ILE 408 N -4.36 1.59 0.11 0.00 5.41 0.14 -4.33 119.36 117.93 1djw n ILE 408 Ca 0.10 -0.21 -0.04 0.00 1.00 0.00 0.00 62.75 63.61 1djw n ILE 408 Cb 0.06 -1.95 0.08 0.00 -0.71 0.00 0.00 39.64 37.12 1djw n ILE 408 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1djw h LEU 409 N -0.73 0.04 0.00 1.39 4.07 -0.93 -3.48 115.31 115.68 1djw h LEU 409 Ca -0.40 -0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.53 1djw h LEU 409 Cb 1.51 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 43.24 1djw h LEU 409 CO -0.16 0.77 0.00 0.61 -1.08 0.00 0.00 178.44 178.58 1djw n GLY 410 N 0.59 3.32 0.29 0.83 0.00 0.07 -1.54 105.19 108.74 1djw n GLY 410 Ca -0.01 0.07 0.18 0.00 0.00 0.00 0.00 46.02 46.26 1djw n GLY 410 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1djw h PRO 411 N 0.00 0.00 -0.08 1.61 0.14 -1.92 -2.65 132.00 129.10 1djw h PRO 411 Ca 0.00 0.00 -0.10 0.00 0.14 0.00 0.00 66.00 66.04 1djw h PRO 411 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.13 1djw h PRO 411 CO 0.00 0.01 -0.42 0.82 0.14 0.00 0.00 178.00 178.55 1djw h ILE 412 N 0.00 1.31 -2.85 -3.56 5.03 -1.57 -3.43 117.51 112.43 1djw h ILE 412 Ca -0.00 -1.53 -0.53 0.00 -0.12 0.00 0.00 64.86 62.68 1djw h ILE 412 Cb 0.38 1.72 0.04 0.00 -3.03 0.00 0.00 36.82 35.93 1djw h ILE 412 CO 0.00 0.45 0.85 -0.22 -0.68 0.00 0.00 178.15 178.56 1djw s LEU 413 N -8.19 4.37 -0.39 1.44 2.96 -1.00 -0.80 118.68 117.06 1djw s LEU 413 Ca -0.04 2.56 -0.21 0.00 -0.22 0.00 0.00 54.13 56.22 1djw s LEU 413 Cb 0.13 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.25 1djw s LEU 413 CO 0.76 -0.79 0.67 -0.22 -1.32 0.00 0.00 176.35 175.45 1djw s LEU 414 N 1.17 4.31 -0.09 -0.68 2.96 -0.56 -4.86 118.68 120.94 1djw s LEU 414 Ca 0.69 -0.02 0.13 0.00 -0.22 0.00 0.00 54.13 54.71 1djw s LEU 414 Cb -0.42 -2.81 0.22 0.00 0.50 0.00 0.00 46.19 43.67 1djw s LEU 414 CO 0.31 -0.71 1.13 -0.90 -1.32 0.00 0.00 176.35 174.86 1djw n ASP 415 N 6.24 2.40 -3.64 3.68 5.68 -1.26 -4.66 116.55 124.98 1djw n ASP 415 Ca -0.00 -2.70 -0.09 0.00 -0.50 0.00 0.00 54.79 51.50 1djw n ASP 415 Cb 0.48 -0.30 -0.07 0.00 -1.14 0.00 0.00 41.12 40.10 1djw n ASP 415 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 1djw s GLN 416 N -2.21 0.62 0.43 0.11 0.74 -1.26 -4.82 119.66 113.26 1djw s GLN 416 Ca 0.23 0.87 -0.20 0.00 0.05 0.00 0.00 55.36 56.30 1djw s GLN 416 Cb 0.19 0.23 -0.15 0.00 1.10 0.00 0.00 33.01 34.38 1djw s GLN 416 CO 0.03 -0.10 0.03 -2.30 -0.55 0.00 0.00 175.29 172.40 1djw n PRO 417 N 3.13 0.00 -3.37 1.67 -0.02 -1.26 -4.94 135.00 130.22 1djw n PRO 417 Ca -0.16 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.00 1djw n PRO 417 Cb 0.57 -0.99 -0.05 0.00 -0.02 0.00 0.00 33.50 33.00 1djw n PRO 417 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1djw s LEU 418 N 4.51 4.14 0.17 2.45 1.43 -1.26 -5.03 118.68 125.09 1djw s LEU 418 Ca 0.58 0.95 -0.30 0.00 -1.03 0.00 0.00 54.13 54.33 1djw s LEU 418 Cb -0.59 -3.72 -0.08 0.00 0.03 0.00 0.00 46.19 41.82 1djw s LEU 418 CO 0.63 -0.10 1.24 -0.62 0.23 0.00 0.00 176.35 177.72 1djw s ASP 419 N -2.43 7.02 0.00 2.29 2.15 -1.26 -2.88 116.67 121.56 1djw s ASP 419 Ca 0.48 2.26 0.00 0.00 0.43 0.00 0.00 52.55 55.72 1djw s ASP 419 Cb -0.11 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 1djw s ASP 419 CO 0.22 -0.44 0.00 0.61 -0.17 0.00 0.00 175.17 175.39 1djw n GLY 420 N 2.41 3.35 3.51 2.66 0.00 -1.26 -5.01 105.19 110.84 1djw n GLY 420 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1djw n GLY 420 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1djw s VAL 421 N -2.80 5.19 0.00 1.61 1.01 -1.14 -4.82 120.40 119.45 1djw s VAL 421 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1djw s VAL 421 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1djw s VAL 421 CO 0.00 -0.20 0.00 0.35 0.00 0.00 0.00 175.10 175.25 1djw n THR 422 N 5.25 0.00 0.69 3.92 -2.24 -1.26 -4.70 114.28 115.94 1djw n THR 422 Ca -0.10 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.76 1djw n THR 422 Cb 0.48 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1djw n THR 422 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1djw n THR 423 N -1.03 0.00 -4.01 4.28 -2.24 -1.26 -5.02 114.28 105.00 1djw n THR 423 Ca 0.00 -0.35 -0.09 0.00 -2.27 0.00 0.00 64.05 61.34 1djw n THR 423 Cb 0.00 1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 69.37 1djw n THR 423 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1djw s SER 424 N -1.82 -0.03 0.70 3.42 0.01 -1.26 -4.95 113.70 109.77 1djw s SER 424 Ca 0.13 -0.98 -0.14 0.00 1.31 0.00 0.00 55.95 56.27 1djw s SER 424 Cb 0.13 0.58 0.02 0.00 0.21 0.00 0.00 66.02 66.96 1djw s SER 424 CO 0.38 -1.14 1.12 -0.76 0.41 0.00 0.00 173.24 173.24 1djw s LEU 425 N -3.04 3.28 1.29 2.44 1.43 -1.26 -4.92 118.68 117.90 1djw s LEU 425 Ca 0.24 1.99 -0.20 0.00 -1.03 0.00 0.00 54.13 55.13 1djw s LEU 425 Cb -0.00 -4.55 0.32 0.00 0.03 0.00 0.00 46.19 41.99 1djw s LEU 425 CO 0.10 -1.83 1.02 -2.84 0.23 0.00 0.00 176.35 173.02 1djw s PRO 426 N -4.29 -1.87 0.34 1.29 0.02 -1.26 -4.36 135.00 124.87 1djw s PRO 426 Ca 0.66 0.17 0.08 0.00 0.02 0.00 0.00 61.00 61.93 1djw s PRO 426 Cb -0.20 -1.50 -0.03 0.00 0.02 0.00 0.00 34.50 32.78 1djw s PRO 426 CO 0.46 -4.19 0.24 -1.54 -0.33 0.00 0.00 177.00 171.65 1djw s SER 427 N -3.36 5.06 0.26 2.53 1.04 -1.25 -0.10 113.70 117.87 1djw s SER 427 Ca 0.69 -0.61 -0.05 0.00 0.48 0.00 0.00 55.95 56.47 1djw s SER 427 Cb -0.14 -0.86 0.30 0.00 0.10 0.00 0.00 66.02 65.42 1djw s SER 427 CO 0.58 -0.35 1.86 -0.65 0.98 0.00 0.00 173.24 175.66 1djw h PRO 428 N 1.34 1.11 -0.14 4.02 0.11 -1.67 -0.79 132.00 135.98 1djw h PRO 428 Ca -0.44 -0.15 -0.00 0.00 0.11 0.00 0.00 66.00 65.52 1djw h PRO 428 Cb 1.25 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1djw h PRO 428 CO 0.60 0.84 0.08 0.93 -0.21 0.00 0.00 178.00 180.25 1djw h GLU 429 N 1.11 0.19 -0.41 1.05 4.39 -1.71 0.87 114.58 120.08 1djw h GLU 429 Ca 0.27 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 1djw h GLU 429 Cb 0.08 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1djw h GLU 429 CO -0.04 0.19 0.22 1.96 -1.16 0.00 0.00 179.01 180.18 1djw h GLN 430 N 0.14 0.56 -0.23 2.33 4.20 -1.68 -2.00 115.11 118.43 1djw h GLN 430 Ca 0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1djw h GLN 430 Cb 0.05 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1djw h GLN 430 CO -0.01 0.42 0.00 1.28 -0.67 0.00 0.00 178.83 179.85 1djw n LEU 431 N -4.43 2.31 -4.61 1.46 4.77 -0.36 -4.95 117.00 111.20 1djw n LEU 431 Ca 0.03 -0.97 -0.50 0.00 -0.03 0.00 0.00 56.01 54.54 1djw n LEU 431 Cb 0.10 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1djw n LEU 431 CO 0.36 0.48 0.94 1.17 -1.33 0.00 0.00 177.39 179.01 1djw n LYS 432 N 0.75 1.41 -0.99 3.23 4.81 0.27 -0.95 118.16 126.68 1djw n LYS 432 Ca 0.17 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1djw n LYS 432 Cb 0.43 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.33 1djw n LYS 432 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1djw n GLY 433 N 2.59 0.72 3.85 3.14 0.00 0.08 -4.90 105.19 110.68 1djw n GLY 433 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1djw n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djw s LYS 434 N -0.07 2.91 -0.16 1.61 -0.14 -0.12 -4.75 119.74 119.02 1djw s LYS 434 Ca 0.00 -1.10 0.00 0.00 -1.36 0.00 0.00 55.97 53.51 1djw s LYS 434 Cb 0.00 -2.57 0.03 0.00 -1.68 0.00 0.00 37.83 33.61 1djw s LYS 434 CO 0.00 0.30 -0.13 0.42 -0.76 0.00 0.00 175.35 175.19 1djw s ILE 435 N -2.18 1.57 0.01 2.17 1.01 0.02 -1.87 121.20 121.93 1djw s ILE 435 Ca 0.36 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1djw s ILE 435 Cb -0.07 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1djw s ILE 435 CO 0.26 0.36 -0.00 -1.48 0.00 0.00 0.00 174.94 174.07 1djw s LEU 436 N 1.47 3.49 0.24 2.97 2.34 0.14 -1.49 118.68 127.84 1djw s LEU 436 Ca 0.03 -0.03 -0.11 0.00 0.06 0.00 0.00 54.13 54.08 1djw s LEU 436 Cb -0.14 -2.02 -0.08 0.00 -0.56 0.00 0.00 46.19 43.39 1djw s LEU 436 CO -0.10 0.27 0.59 -0.76 -1.06 0.00 0.00 176.35 175.29 1djw s LEU 437 N -1.61 4.16 -0.08 1.48 1.43 -1.26 -0.56 118.68 122.22 1djw s LEU 437 Ca 0.20 1.00 0.03 0.00 -1.03 0.00 0.00 54.13 54.32 1djw s LEU 437 Cb -0.11 -3.74 0.01 0.00 0.03 0.00 0.00 46.19 42.37 1djw s LEU 437 CO 0.11 -0.09 -0.16 -0.75 0.23 0.00 0.00 176.35 175.69 1djw s LYS 438 N -2.81 2.13 -0.02 1.70 2.36 0.11 -4.44 119.74 118.78 1djw s LYS 438 Ca 0.48 -0.56 -0.06 0.00 -2.55 0.00 0.00 55.97 53.28 1djw s LYS 438 Cb -0.11 -1.72 0.02 0.00 -1.05 0.00 0.00 37.83 34.97 1djw s LYS 438 CO 0.20 0.05 0.28 0.41 1.55 0.00 0.00 175.35 177.84 1djw n GLY 439 N 3.82 0.35 3.73 5.54 0.00 -0.94 -0.83 105.19 116.86 1djw n GLY 439 Ca -0.21 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 1djw n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djw s LYS 440 N -2.00 4.64 -0.06 1.61 -0.14 -1.26 0.58 119.74 123.11 1djw s LYS 440 Ca 0.07 1.60 0.04 0.00 -1.36 0.00 0.00 55.97 56.32 1djw s LYS 440 Cb -0.00 -3.32 -0.02 0.00 -1.68 0.00 0.00 37.83 32.81 1djw s LYS 440 CO -0.01 0.14 -0.19 0.21 -0.76 0.00 0.00 175.35 174.75 1djw s LYS 441 N -0.20 2.61 0.19 1.68 2.20 -1.26 -4.69 119.74 120.26 1djw s LYS 441 Ca 0.48 -0.78 -0.33 0.00 -0.36 0.00 0.00 55.97 54.98 1djw s LYS 441 Cb -0.27 -2.31 -0.14 0.00 -1.51 0.00 0.00 37.83 33.60 1djw s LYS 441 CO 0.32 0.48 1.55 1.28 -0.36 0.00 0.00 175.35 178.62 1djw n LEU 442 N 2.70 3.20 -4.46 5.43 4.77 -1.26 -4.84 117.00 122.54 1djw n LEU 442 Ca -0.17 1.10 -0.39 0.00 -0.03 0.00 0.00 56.01 56.52 1djw n LEU 442 Cb 0.52 -1.44 0.03 0.00 -2.33 0.00 0.00 43.42 40.20 1djw n LEU 442 CO 0.26 -0.29 0.04 0.61 -1.33 0.00 0.00 177.39 176.68 1djw n GLY 443 N 3.10 -1.55 0.00 -0.72 0.00 -1.26 -5.05 105.19 99.72 1djw n GLY 443 Ca 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1djw n GLY 443 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djw n GLY 444 N 1.80 3.79 2.44 -0.02 0.00 -1.26 -5.15 105.19 106.79 1djw n GLY 444 Ca 0.11 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1djw n GLY 444 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1djw n LEU 445 N 0.00 0.00 0.00 0.99 4.77 -1.26 -5.31 117.00 116.19 1djw n LEU 445 Ca 0.00 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1djw n LEU 445 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1djw n LEU 445 CO 0.00 -0.31 0.00 0.47 -1.33 0.00 0.00 177.39 176.22 1djw n ASP 484 N 2.05 0.00 -0.30 -1.43 8.00 -1.26 -5.37 116.55 118.24 1djw n ASP 484 Ca 0.00 0.00 0.26 0.00 0.71 0.00 0.00 54.79 55.76 1djw n ASP 484 Cb 0.00 0.00 0.58 0.00 -0.02 0.00 0.00 41.12 41.68 1djw n ASP 484 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1djw h LYS 485 N 0.00 0.27 -0.28 -1.24 2.10 -2.02 1.14 116.57 116.54 1djw h LYS 485 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1djw h LYS 485 Cb 0.00 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.27 1djw h LYS 485 CO 0.00 0.18 0.00 1.47 -2.00 0.00 0.00 179.45 179.10 1djw n LEU 486 N -4.49 1.60 0.00 7.07 -0.00 -1.26 -3.94 117.00 115.99 1djw n LEU 486 Ca 0.24 -0.78 0.00 0.00 -0.00 0.00 0.00 56.01 55.47 1djw n LEU 486 Cb 0.95 -0.19 0.00 0.00 -0.00 0.00 0.00 43.42 44.18 1djw n LEU 486 CO 0.30 0.39 -0.39 0.29 -0.00 0.00 0.00 177.39 177.98 1djw n LYS 487 N 0.36 2.45 -4.14 1.47 5.02 0.36 -4.98 118.16 118.70 1djw n LYS 487 Ca 0.11 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.16 1djw n LYS 487 Cb 0.26 -0.89 -0.17 0.00 -0.02 0.00 0.00 35.03 34.21 1djw n LYS 487 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1djw s LEU 488 N -3.60 1.26 0.38 -0.35 0.20 0.84 -4.80 118.68 112.61 1djw s LEU 488 Ca 0.00 -0.23 -0.24 0.00 0.69 0.00 0.00 54.13 54.35 1djw s LEU 488 Cb 0.00 -0.69 -0.09 0.00 -0.43 0.00 0.00 46.19 44.98 1djw s LEU 488 CO 0.00 -0.07 1.02 0.68 -0.29 0.00 0.00 176.35 177.69 1djw s VAL 489 N 1.26 3.88 0.27 1.68 -7.23 -1.26 -4.51 120.40 114.49 1djw s VAL 489 Ca -0.04 1.46 -0.01 0.00 -1.81 0.00 0.00 61.98 61.58 1djw s VAL 489 Cb -0.14 -3.76 0.11 0.00 0.56 0.00 0.00 36.38 33.15 1djw s VAL 489 CO -0.02 0.02 1.76 -0.65 -0.31 0.00 0.00 175.10 175.90 1djw h PRO 490 N 2.65 0.73 -1.01 4.82 0.11 -1.97 -1.29 132.00 136.04 1djw h PRO 490 Ca -0.48 -0.20 0.25 0.00 0.11 0.00 0.00 66.00 65.68 1djw h PRO 490 Cb 1.21 -0.08 -0.12 0.00 0.11 0.00 0.00 31.00 32.11 1djw h PRO 490 CO 0.63 0.76 0.61 0.93 -0.21 0.00 0.00 178.00 180.72 1djw h GLU 491 N 0.68 0.54 0.00 1.05 3.07 -1.97 0.56 114.58 118.51 1djw h GLU 491 Ca 0.13 -0.03 -0.21 0.00 -0.50 0.00 0.00 59.36 58.75 1djw h GLU 491 Cb 0.47 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.23 1djw h GLU 491 CO 0.02 0.36 -1.16 -0.07 -1.40 0.00 0.00 179.01 176.76 1djw h LEU 492 N 0.56 0.00 -1.74 1.33 3.38 -1.83 -3.37 115.31 113.64 1djw h LEU 492 Ca 0.64 -0.48 0.19 0.00 0.09 0.00 0.00 57.88 58.32 1djw h LEU 492 Cb 1.27 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.97 1djw h LEU 492 CO -0.45 1.42 0.53 -1.28 0.09 0.00 0.00 178.44 178.75 1djw h SER 493 N -1.00 0.23 1.04 -0.43 0.87 -0.85 0.10 113.55 113.51 1djw h SER 493 Ca -0.31 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1djw h SER 493 Cb 1.23 -0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1djw h SER 493 CO -0.19 0.10 -0.02 0.44 -0.53 0.00 0.00 176.83 176.64 1djw h ASP 494 N 0.23 0.00 1.16 6.23 3.32 -0.04 -2.95 116.42 124.38 1djw h ASP 494 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 1djw h ASP 494 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1djw h ASP 494 CO -0.09 0.02 -0.22 0.23 -1.72 0.00 0.00 179.24 177.46 1djw n MET 495 N -3.12 0.22 -2.69 3.56 2.81 0.35 -4.72 117.12 113.52 1djw n MET 495 Ca 0.01 0.13 -0.43 0.00 -1.81 0.00 0.00 57.70 55.60 1djw n MET 495 Cb 0.32 -1.71 -0.03 0.00 -0.71 0.00 0.00 33.22 31.09 1djw n MET 495 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1djw s ILE 496 N -3.10 4.29 -0.07 2.02 -1.09 -1.11 -4.55 121.20 117.59 1djw s ILE 496 Ca 0.10 0.95 -0.10 0.00 -2.23 0.00 0.00 60.65 59.38 1djw s ILE 496 Cb 0.14 -4.55 -0.03 0.00 -1.58 0.00 0.00 42.46 36.43 1djw s ILE 496 CO 0.63 -0.99 -0.19 -0.38 -1.23 0.00 0.00 174.94 172.79 1djw n ILE 497 N 6.64 1.12 1.00 2.92 2.08 -1.26 -4.86 119.36 127.00 1djw n ILE 497 Ca 0.09 0.25 0.11 0.00 0.56 0.00 0.00 62.75 63.76 1djw n ILE 497 Cb 0.49 -1.94 -0.04 0.00 -0.75 0.00 0.00 39.64 37.39 1djw n ILE 497 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89 1djw n TYR 498 N -3.80 0.00 -3.49 1.39 4.01 -1.26 -4.76 117.16 109.25 1djw n TYR 498 Ca -0.07 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.39 1djw n TYR 498 Cb 0.27 -0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.19 1djw n TYR 498 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1djw s LYS 500 N 0.24 4.41 0.06 0.00 2.20 0.49 -2.21 119.74 124.93 1djw s LYS 500 Ca 0.26 0.73 -0.31 0.00 -0.36 0.00 0.00 55.97 56.30 1djw s LYS 500 Cb -0.08 -3.44 -0.07 0.00 -1.51 0.00 0.00 37.83 32.73 1djw s LYS 500 CO -0.11 0.10 1.43 -1.12 -0.36 0.00 0.00 175.35 175.28 1djw s SER 501 N 0.74 6.81 0.11 1.43 0.01 0.20 -0.38 113.70 122.62 1djw s SER 501 Ca 0.34 2.26 0.04 0.00 1.31 0.00 0.00 55.95 59.89 1djw s SER 501 Cb -0.17 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.45 1djw s SER 501 CO 0.15 -0.71 -0.10 0.68 0.41 0.00 0.00 173.24 173.68 1djw s VAL 502 N 1.81 0.99 0.20 3.43 -7.23 -1.05 -4.70 120.40 113.85 1djw s VAL 502 Ca 0.65 -1.83 -0.24 0.00 -1.81 0.00 0.00 61.98 58.75 1djw s VAL 502 Cb -0.35 -1.58 -0.08 0.00 0.56 0.00 0.00 36.38 34.93 1djw s VAL 502 CO 0.29 -0.67 0.80 -1.00 -0.31 0.00 0.00 175.10 174.21 1djw s HIS 503 N -2.92 3.83 -0.10 2.82 3.76 -1.26 -4.30 115.29 117.11 1djw s HIS 503 Ca 0.10 1.62 -0.32 0.00 -0.15 0.00 0.00 55.06 56.31 1djw s HIS 503 Cb 0.00 -2.77 -0.09 0.00 1.11 0.00 0.00 32.58 30.83 1djw s HIS 503 CO -0.00 0.43 2.02 0.34 -0.85 0.00 0.00 174.74 176.68 1djw n PHE 504 N 1.26 2.24 0.00 1.40 7.35 -1.26 -4.88 117.46 123.57 1djw n PHE 504 Ca -0.04 -0.13 0.00 0.00 -0.76 0.00 0.00 57.45 56.53 1djw n PHE 504 Cb 0.49 -2.71 0.00 0.00 0.35 0.00 0.00 39.48 37.61 1djw n PHE 504 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1djw n GLY 505 N 4.97 -0.08 0.00 7.13 0.00 -1.26 -5.09 105.19 110.86 1djw n GLY 505 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1djw n GLY 505 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djw n GLY 506 N 1.67 -1.32 3.65 -0.02 0.00 -1.26 -5.13 105.19 102.78 1djw n GLY 506 Ca 0.00 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 1djw n GLY 506 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djw s PHE 507 N -2.88 3.30 -0.41 1.61 0.08 -1.26 -4.81 117.98 113.61 1djw s PHE 507 Ca 0.00 0.16 0.04 0.00 0.12 0.00 0.00 56.93 57.25 1djw s PHE 507 Cb 0.00 -2.21 0.60 0.00 -0.57 0.00 0.00 43.02 40.84 1djw s PHE 507 CO 0.00 0.08 1.84 -1.13 -0.10 0.00 0.00 175.22 175.91 1djw n SER 508 N 4.07 3.74 0.08 1.36 3.41 -1.26 -4.18 113.62 120.85 1djw n SER 508 Ca -0.16 -3.46 0.02 0.00 -0.26 0.00 0.00 58.87 55.02 1djw n SER 508 Cb 0.52 -0.81 0.39 0.00 -0.26 0.00 0.00 64.21 64.05 1djw n SER 508 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1djw h SER 509 N 0.92 0.30 -0.32 4.04 0.87 -1.96 -3.22 113.55 114.19 1djw h SER 509 Ca 0.58 -0.05 -0.19 0.00 -1.23 0.00 0.00 61.79 60.90 1djw h SER 509 Cb 2.67 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 64.53 1djw h SER 509 CO 1.01 0.39 0.60 -2.84 -0.53 0.00 0.00 176.83 175.46 1djw s PRO 510 N -4.92 1.90 0.00 2.24 0.01 -1.26 -4.54 135.00 128.42 1djw s PRO 510 Ca -0.06 -0.79 0.00 0.00 0.01 0.00 0.00 61.00 60.16 1djw s PRO 510 Cb 0.16 -5.11 0.00 0.00 0.01 0.00 0.00 34.50 29.55 1djw s PRO 510 CO 0.73 -4.65 0.00 0.41 0.01 0.00 0.00 177.00 173.50 1djw n GLY 511 N 6.01 0.36 0.00 0.52 0.00 -1.22 -4.79 105.19 106.07 1djw n GLY 511 Ca 0.43 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1djw n GLY 511 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1djw n THR 512 N 0.00 0.00 -3.91 2.61 -2.24 -1.23 -5.05 114.28 104.47 1djw n THR 512 Ca 0.00 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.43 1djw n THR 512 Cb 0.00 0.21 -0.14 0.00 -2.10 0.00 0.00 70.33 68.30 1djw n THR 512 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1djw s SER 513 N 0.00 4.75 0.00 3.42 1.04 -1.26 -5.04 113.70 116.61 1djw s SER 513 Ca 0.00 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.31 1djw s SER 513 Cb 0.00 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.41 1djw s SER 513 CO 0.00 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1djw n GLY 514 N 4.66 3.54 3.80 7.32 0.00 -1.26 -4.88 105.19 118.37 1djw n GLY 514 Ca -0.14 -0.36 -0.35 0.00 0.00 0.00 0.00 46.02 45.16 1djw n GLY 514 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1djw s GLN 515 N 4.01 4.41 0.67 1.61 -0.21 -1.26 -5.01 119.66 123.87 1djw s GLN 515 Ca 0.00 1.17 -0.14 0.00 0.02 0.00 0.00 55.36 56.41 1djw s GLN 515 Cb 0.00 -2.61 0.00 0.00 1.00 0.00 0.00 33.01 31.41 1djw s GLN 515 CO 0.00 0.20 1.09 0.00 -2.12 0.00 0.00 175.29 174.46 1djw s ALA 516 N -1.79 2.50 0.65 6.09 0.00 -1.26 -4.85 121.76 123.10 1djw s ALA 516 Ca 0.53 0.43 0.41 0.00 0.00 0.00 0.00 51.96 53.33 1djw s ALA 516 Cb -0.15 -3.28 2.27 0.00 0.00 0.00 0.00 23.12 21.96 1djw s ALA 516 CO 0.20 -1.28 2.35 0.27 0.00 0.00 0.00 175.76 177.30 1djw h PHE 517 N -0.16 0.00 -0.55 0.00 -5.15 -1.93 0.10 116.94 109.25 1djw h PHE 517 Ca -0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 1djw h PHE 517 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.41 1djw h PHE 517 CO 0.56 0.00 0.00 2.48 -2.00 0.00 0.00 178.31 179.35 1djw n TYR 518 N -3.30 1.08 -4.32 6.09 0.18 -1.26 -4.69 117.16 110.94 1djw n TYR 518 Ca -0.03 -0.46 -0.34 0.00 1.88 0.00 0.00 57.90 58.95 1djw n TYR 518 Cb 0.07 -0.14 -0.13 0.00 -0.38 0.00 0.00 39.34 38.76 1djw n TYR 518 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1djw s GLU 519 N -1.60 3.55 -0.24 -3.48 2.02 0.35 -0.38 118.70 118.92 1djw s GLU 519 Ca 0.41 -0.57 -0.04 0.00 0.02 0.00 0.00 54.97 54.79 1djw s GLU 519 Cb 0.25 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.57 1djw s GLU 519 CO 0.22 0.11 -0.03 1.41 0.02 0.00 0.00 175.26 177.00 1djw s MET 520 N 0.69 3.18 0.22 1.61 1.75 0.49 -4.60 119.30 122.65 1djw s MET 520 Ca -0.03 -0.76 -0.06 0.00 -1.25 0.00 0.00 55.69 53.59 1djw s MET 520 Cb -0.15 -3.07 -0.06 0.00 2.84 0.00 0.00 34.83 34.40 1djw s MET 520 CO 0.02 -0.30 0.50 0.00 -0.65 0.00 0.00 175.02 174.59 1djw s ALA 521 N 1.44 3.66 0.07 4.11 0.00 -1.25 -2.53 121.76 127.26 1djw s ALA 521 Ca 0.04 -0.46 0.08 0.00 0.00 0.00 0.00 51.96 51.62 1djw s ALA 521 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 1djw s ALA 521 CO -0.03 0.47 -0.21 -1.12 0.00 0.00 0.00 175.76 174.88 1djw s SER 522 N -2.65 3.64 -0.00 0.00 0.01 -1.26 -1.02 113.70 112.41 1djw s SER 522 Ca 0.44 -0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.19 1djw s SER 522 Cb -0.11 -0.49 -0.00 0.00 0.21 0.00 0.00 66.02 65.63 1djw s SER 522 CO 0.25 0.23 -0.04 -0.36 0.41 0.00 0.00 173.24 173.73 1djw s PHE 523 N -0.96 0.34 0.68 2.43 0.40 0.94 -4.78 117.98 117.04 1djw s PHE 523 Ca 0.15 -0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.29 1djw s PHE 523 Cb -0.10 -0.22 0.00 0.00 0.51 0.00 0.00 43.02 43.21 1djw s PHE 523 CO 0.06 -0.01 1.06 -1.54 0.70 0.00 0.00 175.22 175.49 1djw s SER 524 N -0.12 5.41 0.27 1.36 1.04 -1.26 -1.28 113.70 119.11 1djw s SER 524 Ca 0.01 1.65 -0.01 0.00 0.48 0.00 0.00 55.95 58.09 1djw s SER 524 Cb -0.02 -2.50 0.60 0.00 0.10 0.00 0.00 66.02 64.20 1djw s SER 524 CO -0.00 -1.42 1.69 -0.08 0.98 0.00 0.00 173.24 174.41 1djw h GLU 525 N -0.57 0.33 0.44 4.02 4.81 -0.20 -0.96 114.58 122.45 1djw h GLU 525 Ca -0.44 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1djw h GLU 525 Cb 1.21 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1djw h GLU 525 CO 0.57 0.22 -0.21 0.77 -0.73 0.00 0.00 179.01 179.62 1djw h SER 526 N 0.34 -0.51 -0.52 1.04 0.02 -1.91 -1.91 113.55 110.10 1djw h SER 526 Ca 0.49 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.46 1djw h SER 526 Cb 0.89 0.13 -0.04 0.00 0.14 0.00 0.00 62.40 63.52 1djw h SER 526 CO -0.53 -0.32 0.30 -0.09 -1.14 0.00 0.00 176.83 175.05 1djw h ARG 527 N -0.65 0.58 -0.31 3.45 2.43 -1.79 -2.00 114.38 116.09 1djw h ARG 527 Ca -0.06 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.14 1djw h ARG 527 Cb 0.49 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 1djw h ARG 527 CO 0.10 0.38 -0.08 0.00 -1.51 0.00 0.00 179.97 178.86 1djw h ALA 528 N 1.24 0.20 -0.67 2.80 0.00 -1.14 0.28 119.26 121.99 1djw h ALA 528 Ca 0.22 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.31 1djw h ALA 528 Cb 0.05 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1djw h ALA 528 CO -0.11 -0.47 0.36 -0.07 0.00 0.00 0.00 179.25 178.96 1djw h LEU 529 N -0.00 0.52 -0.10 0.00 3.38 -0.87 0.12 115.31 118.36 1djw h LEU 529 Ca 0.15 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1djw h LEU 529 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1djw h LEU 529 CO -0.32 0.33 0.04 -0.09 0.09 0.00 0.00 178.44 178.50 1djw h ARG 530 N 0.66 0.09 -0.60 1.13 2.43 -0.44 0.30 114.38 117.96 1djw h ARG 530 Ca 0.30 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 1djw h ARG 530 Cb 0.22 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 1djw h ARG 530 CO -0.20 0.06 0.37 -0.07 -1.51 0.00 0.00 179.97 178.62 1djw h LEU 531 N 0.10 0.70 -0.41 3.80 3.38 0.27 0.17 115.31 123.32 1djw h LEU 531 Ca 0.04 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1djw h LEU 531 Cb 0.01 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1djw h LEU 531 CO -0.04 0.53 -0.48 -0.07 0.09 0.00 0.00 178.44 178.47 1djw h LEU 532 N 0.81 0.00 -0.04 1.67 3.38 -0.05 0.77 115.31 121.85 1djw h LEU 532 Ca 0.22 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 1djw h LEU 532 Cb -0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.71 1djw h LEU 532 CO -0.04 0.48 -0.61 -0.61 0.09 0.00 0.00 178.44 177.75 1djw h GLN 533 N 0.00 0.48 0.00 1.13 5.75 0.97 -3.17 115.11 120.27 1djw h GLN 533 Ca -0.00 -0.47 -0.35 0.00 -0.15 0.00 0.00 58.65 57.68 1djw h GLN 533 Cb 1.20 0.12 -0.07 0.00 1.07 0.00 0.00 27.48 29.81 1djw h GLN 533 CO 0.06 1.11 -2.25 0.39 -2.65 0.00 0.00 178.83 175.49 1djw n GLU 534 N -4.18 0.68 -2.59 1.69 1.02 0.46 -4.63 120.64 113.08 1djw n GLU 534 Ca -0.10 0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 56.97 1djw n GLU 534 Cb 0.67 -1.58 0.03 0.00 -0.02 0.00 0.00 31.44 30.54 1djw n GLU 534 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1djw n SER 535 N -2.81 2.54 -0.19 1.62 7.64 0.26 -4.93 113.62 117.76 1djw n SER 535 Ca -0.29 -2.91 -0.10 0.00 1.01 0.00 0.00 58.87 56.57 1djw n SER 535 Cb 1.13 -0.49 -0.06 0.00 -1.01 0.00 0.00 64.21 63.79 1djw n SER 535 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1djw h GLY 536 N 2.75 -0.67 1.48 0.23 0.00 -1.48 0.11 103.07 105.50 1djw h GLY 536 Ca 0.03 0.63 -0.06 0.00 0.00 0.00 0.00 47.33 47.93 1djw h GLY 536 CO 0.54 -0.14 0.01 -0.57 0.00 0.00 0.00 176.54 176.39 1djw h ASN 537 N -0.28 0.61 -0.39 0.19 -0.73 -1.90 -0.46 115.58 112.61 1djw h ASN 537 Ca 0.14 -0.12 0.01 0.00 1.87 0.00 0.00 56.30 58.19 1djw h ASN 537 Cb 0.57 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.98 1djw h ASN 537 CO -0.66 0.67 0.25 1.23 -0.37 0.00 0.00 177.43 178.55 1djw h GLY 538 N 0.90 0.55 0.96 1.57 0.00 -1.50 0.13 103.07 105.69 1djw h GLY 538 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1djw h GLY 538 CO 0.01 0.19 0.06 -2.75 0.00 0.00 0.00 176.54 174.06 1djw h PHE 539 N 0.52 0.79 0.46 5.60 3.04 -0.43 0.13 116.94 127.05 1djw h PHE 539 Ca 0.14 -0.11 -0.02 0.00 3.98 0.00 0.00 57.97 61.96 1djw h PHE 539 Cb -0.05 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.24 1djw h PHE 539 CO -0.05 0.76 -0.29 0.28 -2.02 0.00 0.00 178.31 176.98 1djw h VAL 540 N 0.60 0.39 -1.00 1.41 2.07 -0.74 0.16 116.25 119.15 1djw h VAL 540 Ca 0.13 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 1djw h VAL 540 Cb 0.40 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1djw h VAL 540 CO 0.01 0.00 0.65 0.03 0.02 0.00 0.00 177.57 178.28 1djw h ARG 541 N -0.72 1.19 -0.04 1.57 3.08 -0.69 -1.01 114.38 117.75 1djw h ARG 541 Ca -0.05 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 59.95 1djw h ARG 541 Cb 0.60 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1djw h ARG 541 CO 0.04 0.78 -0.07 1.25 -1.07 0.00 0.00 179.97 180.91 1djw h HIS 542 N 1.22 -0.18 0.00 3.04 2.76 -0.30 -2.63 115.15 119.07 1djw h HIS 542 Ca 0.42 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 1djw h HIS 542 Cb 0.09 0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.13 1djw h HIS 542 CO -0.00 -0.11 0.00 0.09 -1.30 0.00 0.00 177.93 176.61 1djw n ASN 543 N -5.20 0.00 -0.10 3.26 3.02 0.54 -2.35 115.26 114.43 1djw n ASN 543 Ca -0.05 0.37 -0.11 0.00 -0.03 0.00 0.00 54.58 54.76 1djw n ASN 543 Cb 0.12 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 1djw n ASN 543 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1djw h VAL 544 N 0.00 1.25 -0.00 2.41 2.07 -1.16 -3.31 116.25 117.50 1djw h VAL 544 Ca 0.00 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1djw h VAL 544 Cb 0.08 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1djw h VAL 544 CO 0.00 0.28 -0.47 -1.54 0.02 0.00 0.00 177.57 175.87 1djw n SER 545 N -4.60 0.52 -4.34 0.57 3.41 -1.20 -4.37 113.62 103.61 1djw n SER 545 Ca -0.03 -0.76 -0.32 0.00 -0.26 0.00 0.00 58.87 57.51 1djw n SER 545 Cb 0.24 0.97 -0.15 0.00 -0.26 0.00 0.00 64.21 65.01 1djw n SER 545 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djw s LEU 547 N -0.45 4.25 -0.04 0.00 1.43 -1.26 -4.28 118.68 118.33 1djw s LEU 547 Ca 0.05 1.34 0.04 0.00 -1.03 0.00 0.00 54.13 54.54 1djw s LEU 547 Cb -0.12 -3.34 -0.03 0.00 0.03 0.00 0.00 46.19 42.74 1djw s LEU 547 CO 0.01 -0.33 -0.16 -0.44 0.23 0.00 0.00 176.35 175.66 1djw s SER 548 N 1.05 3.92 -0.07 2.29 0.01 -1.26 -3.79 113.70 115.84 1djw s SER 548 Ca 0.43 -0.25 0.03 0.00 1.31 0.00 0.00 55.95 57.47 1djw s SER 548 Cb -0.18 -0.77 -0.02 0.00 0.21 0.00 0.00 66.02 65.25 1djw s SER 548 CO 0.17 0.33 -0.15 -0.60 0.41 0.00 0.00 173.24 173.41 1djw s ARG 549 N -0.81 2.71 0.02 12.44 3.52 -0.19 -1.39 118.95 135.25 1djw s ARG 549 Ca 0.12 -0.71 0.08 0.00 -0.13 0.00 0.00 55.73 55.09 1djw s ARG 549 Cb -0.11 -2.42 -0.02 0.00 -1.56 0.00 0.00 34.95 30.84 1djw s ARG 549 CO 0.01 0.51 -0.24 0.42 -0.81 0.00 0.00 175.30 175.19 1djw s ILE 550 N -0.45 1.92 0.09 4.11 -1.09 -0.18 -0.04 121.20 125.57 1djw s ILE 550 Ca 0.05 -1.18 0.02 0.00 -2.23 0.00 0.00 60.65 57.31 1djw s ILE 550 Cb -0.12 -1.63 -0.04 0.00 -1.58 0.00 0.00 42.46 39.09 1djw s ILE 550 CO 0.02 0.41 -0.07 -0.72 -1.23 0.00 0.00 174.94 173.35 1djw s TYR 551 N -0.69 0.86 0.44 3.97 1.13 -0.41 -1.12 117.35 121.53 1djw s TYR 551 Ca 0.10 -0.84 -0.26 0.00 -1.41 0.00 0.00 57.07 54.66 1djw s TYR 551 Cb -0.09 -0.50 -0.09 0.00 -1.10 0.00 0.00 41.96 40.18 1djw s TYR 551 CO 0.01 -0.13 1.45 -2.14 -2.51 0.00 0.00 175.55 172.22 1djw s PRO 552 N -3.46 3.77 0.57 -3.49 0.02 -1.26 0.51 135.00 131.66 1djw s PRO 552 Ca 0.08 2.48 -0.20 0.00 0.02 0.00 0.00 61.00 63.38 1djw s PRO 552 Cb 0.03 -2.72 -0.06 0.00 0.02 0.00 0.00 34.50 31.76 1djw s PRO 552 CO -0.04 -0.77 0.97 0.00 -0.33 0.00 0.00 177.00 176.83 1djw n ALA 553 N -0.06 0.20 0.21 -1.55 0.00 -1.26 -4.62 120.51 113.43 1djw n ALA 553 Ca 0.04 0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.63 1djw n ALA 553 Cb 0.41 -2.11 0.64 0.00 0.00 0.00 0.00 19.45 18.39 1djw n ALA 553 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1djw h GLY 554 N 0.71 0.03 1.47 0.00 0.00 -2.02 -1.86 103.07 101.40 1djw h GLY 554 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1djw h GLY 554 CO 0.52 0.01 0.00 -2.67 0.00 0.00 0.00 176.54 174.40 1djw n TRP 555 N -4.51 0.00 -1.47 5.60 4.27 -1.26 -3.89 117.44 116.17 1djw n TRP 555 Ca -0.01 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.31 1djw n TRP 555 Cb 0.17 -0.24 -0.07 0.00 -1.36 0.00 0.00 31.31 29.82 1djw n TRP 555 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1djw n ARG 556 N -1.24 3.12 0.04 -2.67 1.74 -0.70 -4.58 116.66 112.37 1djw n ARG 556 Ca 0.09 -2.29 0.05 0.00 -0.77 0.00 0.00 57.85 54.94 1djw n ARG 556 Cb 0.13 -2.35 0.24 0.00 -1.02 0.00 0.00 32.46 29.46 1djw n ARG 556 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1djw n THR 557 N 1.98 1.41 1.38 0.55 -2.24 -1.25 -0.71 114.28 115.39 1djw n THR 557 Ca 0.56 0.43 0.11 0.00 -2.27 0.00 0.00 64.05 62.88 1djw n THR 557 Cb 0.50 -1.34 0.42 0.00 -2.10 0.00 0.00 70.33 67.81 1djw n THR 557 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1djw n ASP 558 N -1.70 1.37 -1.52 3.42 5.68 -1.26 -1.05 116.55 121.48 1djw n ASP 558 Ca 0.01 -1.64 -0.16 0.00 -0.50 0.00 0.00 54.79 52.50 1djw n ASP 558 Cb 0.08 -0.08 -0.04 0.00 -1.14 0.00 0.00 41.12 39.94 1djw n ASP 558 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1djw n SER 559 N 0.12 -4.87 -4.41 -1.12 7.64 0.12 -4.71 113.62 106.39 1djw n SER 559 Ca 0.16 0.20 -0.29 0.00 1.01 0.00 0.00 58.87 59.95 1djw n SER 559 Cb 0.29 -3.88 0.22 0.00 -1.01 0.00 0.00 64.21 59.82 1djw n SER 559 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1djw s SER 560 N -2.56 1.56 0.10 6.43 1.04 -1.25 -4.65 113.70 114.36 1djw s SER 560 Ca 0.00 1.14 0.06 0.00 0.48 0.00 0.00 55.95 57.64 1djw s SER 560 Cb 0.00 -1.77 -0.03 0.00 0.10 0.00 0.00 66.02 64.32 1djw s SER 560 CO 0.00 -3.79 -0.17 0.20 0.98 0.00 0.00 173.24 170.47 1djw s ASN 561 N -3.24 2.08 0.60 7.02 0.01 -1.26 -4.75 114.94 115.40 1djw s ASN 561 Ca 0.67 -0.70 0.03 0.00 -0.71 0.00 0.00 52.86 52.16 1djw s ASN 561 Cb -0.19 -0.09 0.08 0.00 0.41 0.00 0.00 41.25 41.46 1djw s ASN 561 CO 0.59 -0.05 0.83 -0.72 -1.51 0.00 0.00 177.10 176.25 1djw s TYR 562 N -1.47 2.04 -0.08 2.20 1.13 -1.26 -4.92 117.35 114.99 1djw s TYR 562 Ca 0.04 -0.32 -0.29 0.00 -1.41 0.00 0.00 57.07 55.09 1djw s TYR 562 Cb -0.09 -2.67 -0.02 0.00 -1.10 0.00 0.00 41.96 38.08 1djw s TYR 562 CO 0.03 -1.19 0.97 0.45 -2.51 0.00 0.00 175.55 173.30 1djw s SER 563 N -4.59 7.24 0.18 -0.18 0.15 -1.26 -4.85 113.70 110.39 1djw s SER 563 Ca 0.61 1.52 0.01 0.00 0.70 0.00 0.00 55.95 58.80 1djw s SER 563 Cb -0.07 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.75 1djw s SER 563 CO 0.40 -0.37 1.43 1.55 1.20 0.00 0.00 173.24 177.45 1djw h PRO 564 N 7.01 0.29 -0.59 5.44 0.13 -1.96 -3.28 132.00 139.03 1djw h PRO 564 Ca -0.34 -0.26 0.12 0.00 -0.87 0.00 0.00 66.00 64.65 1djw h PRO 564 Cb 1.17 0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 1djw h PRO 564 CO 0.82 0.93 -0.10 0.28 -0.23 0.00 0.00 178.00 179.70 1djw h VAL 565 N 0.18 0.44 -0.35 1.56 2.07 -1.97 0.46 116.25 118.64 1djw h VAL 565 Ca -0.04 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.58 1djw h VAL 565 Cb 1.37 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1djw h VAL 565 CO 0.13 0.01 0.27 1.05 0.02 0.00 0.00 177.57 179.04 1djw h GLU 566 N 0.03 0.00 0.20 1.57 4.11 -1.90 0.79 114.58 119.39 1djw h GLU 566 Ca 0.29 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.38 1djw h GLU 566 Cb 0.46 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.72 1djw h GLU 566 CO -0.58 0.00 -1.63 0.52 0.07 0.00 0.00 179.01 177.39 1djw h MET 567 N 0.00 0.43 0.00 1.06 2.86 -0.33 -3.29 114.93 115.66 1djw h MET 567 Ca 0.17 -0.74 -0.04 0.00 -2.06 0.00 0.00 59.70 57.03 1djw h MET 567 Cb 0.71 0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 1djw h MET 567 CO -0.00 1.34 -0.17 -1.49 1.06 0.00 0.00 176.91 177.65 1djw h TRP 568 N 0.12 0.00 0.00 -0.22 6.55 0.09 -0.65 115.95 121.83 1djw h TRP 568 Ca -0.30 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.54 1djw h TRP 568 Cb 2.12 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 30.42 1djw h TRP 568 CO 0.11 0.17 0.00 0.09 -1.05 0.00 0.00 178.44 177.76 1djw n ASN 569 N -4.25 0.51 -0.79 -3.49 3.02 0.16 -1.05 115.26 109.36 1djw n ASN 569 Ca -0.02 0.65 0.08 0.00 -0.03 0.00 0.00 54.58 55.26 1djw n ASN 569 Cb 0.24 -0.75 0.15 0.00 -0.61 0.00 0.00 39.78 38.81 1djw n ASN 569 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1djw n GLY 570 N -0.40 1.61 1.85 7.41 0.00 -0.38 -4.50 105.19 110.79 1djw n GLY 570 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1djw n GLY 570 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djw n GLY 571 N 0.91 0.61 3.69 -0.02 0.00 -0.21 -3.59 105.19 106.58 1djw n GLY 571 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1djw n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djw n GLN 573 N 5.52 0.71 -3.06 0.00 0.00 -1.24 -4.25 117.38 115.07 1djw n GLN 573 Ca 0.15 0.21 -0.43 0.00 0.00 0.00 0.00 57.00 56.93 1djw n GLN 573 Cb 0.41 -1.64 0.01 0.00 0.00 0.00 0.00 30.24 29.02 1djw n GLN 573 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1djw n ILE 574 N -3.36 5.22 -2.84 -0.39 5.41 -0.49 -1.34 119.36 121.58 1djw n ILE 574 Ca -0.36 -5.86 -0.43 0.00 1.00 0.00 0.00 62.75 57.10 1djw n ILE 574 Cb 1.03 -2.15 -0.03 0.00 -0.71 0.00 0.00 39.64 37.78 1djw n ILE 574 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1djw s VAL 575 N -2.58 4.40 0.01 1.39 1.01 -1.26 -1.01 120.40 122.37 1djw s VAL 575 Ca 0.31 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1djw s VAL 575 Cb 0.03 -4.76 -0.04 0.00 0.00 0.00 0.00 36.38 31.61 1djw s VAL 575 CO 0.08 -1.54 1.07 0.00 0.00 0.00 0.00 175.10 174.71 1djw s ALA 576 N 3.74 3.27 0.19 5.51 0.00 -0.28 -4.33 121.76 129.86 1djw s ALA 576 Ca 0.29 0.64 0.06 0.00 0.00 0.00 0.00 51.96 52.94 1djw s ALA 576 Cb -0.11 -3.39 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1djw s ALA 576 CO 0.02 -0.34 -0.10 -0.51 0.00 0.00 0.00 175.76 174.83 1djw s LEU 577 N 1.12 2.49 -0.94 0.00 1.43 -0.99 -4.19 118.68 117.61 1djw s LEU 577 Ca 0.54 -1.06 -0.22 0.00 -1.03 0.00 0.00 54.13 52.37 1djw s LEU 577 Cb -0.24 -0.46 0.08 0.00 0.03 0.00 0.00 46.19 45.60 1djw s LEU 577 CO 0.28 -0.31 1.28 0.20 0.23 0.00 0.00 176.35 178.03 1djw s ASN 578 N -3.26 6.50 0.66 2.29 0.01 -1.26 0.54 114.94 120.42 1djw s ASN 578 Ca 0.21 -1.57 0.30 0.00 -0.71 0.00 0.00 52.86 51.09 1djw s ASN 578 Cb 0.02 -2.49 1.63 0.00 0.41 0.00 0.00 41.25 40.82 1djw s ASN 578 CO 0.05 -1.36 1.92 -0.26 -1.51 0.00 0.00 177.10 175.94 1djw h PHE 579 N 9.43 0.00 0.00 2.20 -1.00 -1.92 -1.45 116.94 124.19 1djw h PHE 579 Ca 0.11 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.89 1djw h PHE 579 Cb 1.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.58 1djw h PHE 579 CO 1.20 0.00 -0.09 0.00 -1.61 0.00 0.00 178.31 177.81 1djw n GLN 580 N -2.96 0.00 -3.50 1.51 0.00 -1.26 -4.77 117.38 106.41 1djw n GLN 580 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 57.00 56.57 1djw n GLN 580 Cb 0.40 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 29.03 1djw n GLN 580 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1djw s THR 581 N -3.00 5.22 0.54 -0.39 2.01 -0.55 -4.99 115.64 114.49 1djw s THR 581 Ca 0.13 -0.48 -0.20 0.00 0.31 0.00 0.00 61.69 61.46 1djw s THR 581 Cb 0.19 -3.81 -0.06 0.00 0.01 0.00 0.00 72.50 68.83 1djw s THR 581 CO 0.56 -0.17 1.15 -2.84 -0.69 0.00 0.00 174.62 172.63 1djw s PRO 582 N 1.69 3.33 0.00 4.92 0.02 -1.26 -4.63 135.00 139.07 1djw s PRO 582 Ca 0.05 1.66 0.00 0.00 0.02 0.00 0.00 61.00 62.74 1djw s PRO 582 Cb -0.18 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.31 1djw s PRO 582 CO 0.10 -0.88 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 1djw n GLY 583 N 0.24 1.45 0.37 0.52 0.00 -1.26 -4.94 105.19 101.58 1djw n GLY 583 Ca 0.12 -1.16 0.14 0.00 0.00 0.00 0.00 46.02 45.12 1djw n GLY 583 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1djw h PRO 584 N 0.00 0.41 -0.02 1.61 0.11 -1.98 -1.17 132.00 130.97 1djw h PRO 584 Ca 0.00 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1djw h PRO 584 Cb 0.00 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.02 1djw h PRO 584 CO 0.00 0.27 0.01 0.93 -0.21 0.00 0.00 178.00 179.00 1djw h GLU 585 N 0.43 0.04 0.00 1.05 3.07 -1.91 0.16 114.58 117.41 1djw h GLU 585 Ca 0.35 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 59.13 1djw h GLU 585 Cb 0.76 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1djw h GLU 585 CO -0.11 0.23 -0.34 0.52 -1.40 0.00 0.00 179.01 177.91 1djw h MET 586 N -0.17 0.00 0.23 2.33 2.86 -1.72 -0.89 114.93 117.57 1djw h MET 586 Ca 0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1djw h MET 586 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1djw h MET 586 CO -0.00 0.34 -0.11 -0.44 1.06 0.00 0.00 176.91 177.76 1djw h ASP 587 N 0.00 -0.26 -0.96 1.22 3.32 -0.64 0.33 116.42 119.43 1djw h ASP 587 Ca -0.00 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1djw h ASP 587 Cb 0.78 0.07 -0.05 0.00 0.22 0.00 0.00 39.33 40.35 1djw h ASP 587 CO 0.04 -0.01 0.60 0.58 -1.72 0.00 0.00 179.24 178.73 1djw h VAL 588 N -0.51 1.26 0.56 -1.35 2.07 -0.57 -0.10 116.25 117.61 1djw h VAL 588 Ca -0.03 -0.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1djw h VAL 588 Cb 0.38 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1djw h VAL 588 CO 0.05 0.26 -0.33 0.22 0.02 0.00 0.00 177.57 177.79 1djw h TYR 589 N 1.32 -0.87 0.00 1.57 3.20 -0.82 -0.60 116.97 120.77 1djw h TYR 589 Ca 0.35 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.21 1djw h TYR 589 Cb -0.09 0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1djw h TYR 589 CO 0.00 -0.51 0.00 -0.07 -1.64 0.00 0.00 178.16 175.95 1djw h LEU 590 N -0.84 0.00 -0.03 2.82 3.38 -0.84 -1.82 115.31 117.97 1djw h LEU 590 Ca -0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1djw h LEU 590 Cb 0.67 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1djw h LEU 590 CO 0.08 0.00 -0.05 1.23 0.09 0.00 0.00 178.44 179.79 1djw h GLY 591 N 2.50 0.10 0.47 0.83 0.00 -0.31 -2.02 103.07 104.64 1djw h GLY 591 Ca 0.00 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.28 1djw h GLY 591 CO 0.00 0.10 0.06 0.00 0.00 0.00 0.00 176.54 176.70 1djw n PHE 593 N -5.12 0.06 0.17 0.00 3.72 -0.72 -2.00 117.46 113.56 1djw n PHE 593 Ca 0.03 -0.03 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 1djw n PHE 593 Cb 0.19 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.79 1djw n PHE 593 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1djw h GLN 594 N 0.29 0.00 -7.21 -1.08 5.75 -0.55 -3.29 115.11 109.02 1djw h GLN 594 Ca 0.00 0.00 -0.45 0.00 -0.15 0.00 0.00 58.65 58.05 1djw h GLN 594 Cb 0.07 0.00 0.20 0.00 1.07 0.00 0.00 27.48 28.81 1djw h GLN 594 CO 0.00 0.00 0.08 0.34 -2.65 0.00 0.00 178.83 176.60 1djw s ASP 595 N -5.53 1.56 -1.72 -0.69 -1.08 -0.85 -2.76 116.67 105.61 1djw s ASP 595 Ca 0.02 1.50 -0.19 0.00 -0.52 0.00 0.00 52.55 53.36 1djw s ASP 595 Cb 0.09 -2.23 0.16 0.00 -1.46 0.00 0.00 42.92 39.48 1djw s ASP 595 CO 0.75 -3.84 0.77 -3.20 0.52 0.00 0.00 175.17 170.18 1djw n ASN 596 N -4.67 -3.19 -0.52 -0.34 5.15 -0.68 -0.04 115.26 110.97 1djw n ASN 596 Ca 0.04 -1.03 -0.07 0.00 -0.60 0.00 0.00 54.58 52.93 1djw n ASN 596 Cb 0.55 -2.68 -0.03 0.00 -0.53 0.00 0.00 39.78 37.09 1djw n ASN 596 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1djw n GLY 597 N -1.38 0.83 2.53 8.20 0.00 -0.76 -2.92 105.19 111.69 1djw n GLY 597 Ca 0.08 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1djw n GLY 597 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djw n GLY 598 N -1.15 -0.51 0.18 -0.02 0.00 0.94 -4.74 105.19 99.90 1djw n GLY 598 Ca -0.07 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.11 1djw n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djw n GLY 600 N 0.73 0.41 3.03 0.00 0.00 -1.26 -4.61 105.19 103.49 1djw n GLY 600 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 1djw n GLY 600 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djw s TYR 601 N -2.00 1.77 -0.11 1.61 1.51 -1.26 -1.76 117.35 117.11 1djw s TYR 601 Ca 0.00 -0.80 0.00 0.00 -1.01 0.00 0.00 57.07 55.26 1djw s TYR 601 Cb 0.00 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.56 1djw s TYR 601 CO 0.00 -0.43 -0.10 0.08 -1.11 0.00 0.00 175.55 173.98 1djw s VAL 602 N 1.00 1.20 0.13 0.71 1.01 -0.35 -4.90 120.40 119.20 1djw s VAL 602 Ca -0.07 -0.42 -0.31 0.00 0.00 0.00 0.00 61.98 61.17 1djw s VAL 602 Cb -0.15 -1.16 -0.11 0.00 0.00 0.00 0.00 36.38 34.97 1djw s VAL 602 CO -0.01 0.39 1.82 -0.11 0.00 0.00 0.00 175.10 177.19 1djw n LEU 603 N 4.62 4.01 -4.73 3.92 7.94 -1.26 0.51 117.00 131.99 1djw n LEU 603 Ca -0.16 1.00 -0.30 0.00 -1.11 0.00 0.00 56.01 55.44 1djw n LEU 603 Cb 0.50 -1.54 0.12 0.00 0.53 0.00 0.00 43.42 43.03 1djw n LEU 603 CO 0.20 0.16 0.68 -0.54 -1.11 0.00 0.00 177.39 176.78 1djw s LYS 604 N 2.48 1.70 0.71 1.96 1.02 0.36 -4.86 119.74 123.11 1djw s LYS 604 Ca 0.81 1.07 -0.15 0.00 0.02 0.00 0.00 55.97 57.71 1djw s LYS 604 Cb -0.49 -1.84 0.03 0.00 -0.52 0.00 0.00 37.83 35.00 1djw s LYS 604 CO 0.37 -2.00 1.19 -2.14 -0.92 0.00 0.00 175.35 171.84 1djw s PRO 605 N -4.88 2.34 0.14 -1.68 0.02 -1.26 -4.87 135.00 124.80 1djw s PRO 605 Ca 0.63 1.68 -0.21 0.00 0.02 0.00 0.00 61.00 63.12 1djw s PRO 605 Cb -0.18 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.49 1djw s PRO 605 CO 0.57 -1.67 1.67 0.00 -0.33 0.00 0.00 177.00 177.24 1djw h ALA 606 N -0.14 0.02 0.00 -1.55 0.00 -1.97 0.36 119.26 115.98 1djw h ALA 606 Ca -0.48 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1djw h ALA 606 Cb 1.28 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1djw h ALA 606 CO 0.51 -0.56 0.03 1.97 0.00 0.00 0.00 179.25 181.20 1djw n PHE 607 N -5.30 0.19 -0.10 0.00 1.16 -1.26 0.15 117.46 112.30 1djw n PHE 607 Ca -0.01 0.10 0.11 0.00 -1.87 0.00 0.00 57.45 55.78 1djw n PHE 607 Cb 0.22 -0.63 0.26 0.00 -1.61 0.00 0.00 39.48 37.72 1djw n PHE 607 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1djw n LEU 608 N -1.68 3.65 -0.01 5.98 4.77 0.10 -3.79 117.00 126.03 1djw n LEU 608 Ca -0.00 -1.80 0.01 0.00 -0.03 0.00 0.00 56.01 54.18 1djw n LEU 608 Cb 0.04 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 40.77 1djw n LEU 608 CO 0.02 0.87 0.49 0.54 -1.33 0.00 0.00 177.39 177.98 1djw n ARG 609 N 1.47 2.74 -3.64 3.23 1.74 0.39 -4.54 116.66 118.05 1djw n ARG 609 Ca 0.21 -1.51 -0.40 0.00 -0.77 0.00 0.00 57.85 55.39 1djw n ARG 609 Cb 0.59 -1.00 -0.10 0.00 -1.02 0.00 0.00 32.46 30.93 1djw n ARG 609 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1djw s ASP 610 N -1.06 5.56 0.00 0.55 2.15 -0.97 -4.94 116.67 117.97 1djw s ASP 610 Ca 0.02 -1.48 0.00 0.00 0.43 0.00 0.00 52.55 51.52 1djw s ASP 610 Cb 0.02 -1.96 0.00 0.00 -0.30 0.00 0.00 42.92 40.68 1djw s ASP 610 CO 0.00 -0.50 0.74 -0.81 -0.17 0.00 0.00 175.17 174.43 1djw n PRO 611 N 4.88 0.00 -0.12 4.34 -0.05 -1.26 0.44 135.00 143.23 1djw n PRO 611 Ca -0.10 0.26 0.08 0.00 -0.05 0.00 0.00 63.50 63.70 1djw n PRO 611 Cb 0.43 -1.68 0.14 0.00 -0.05 0.00 0.00 33.50 32.34 1djw n PRO 611 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1djw n ASN 612 N -1.24 2.55 -4.74 3.54 3.02 -1.26 -4.92 115.26 112.20 1djw n ASN 612 Ca 0.00 -2.90 -0.36 0.00 -0.03 0.00 0.00 54.58 51.29 1djw n ASN 612 Cb 0.18 -0.38 0.06 0.00 -0.61 0.00 0.00 39.78 39.03 1djw n ASN 612 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1djw s THR 613 N -2.56 2.37 -1.30 3.41 -4.23 0.17 -4.86 115.64 108.63 1djw s THR 613 Ca 0.29 0.22 0.18 0.00 -1.18 0.00 0.00 61.69 61.20 1djw s THR 613 Cb 0.25 -3.02 0.61 0.00 1.34 0.00 0.00 72.50 71.68 1djw s THR 613 CO 0.04 -0.06 1.52 0.35 -0.54 0.00 0.00 174.62 175.93 1djw n THR 614 N -1.93 1.44 -1.84 3.99 -2.24 -1.26 -4.90 114.28 107.56 1djw n THR 614 Ca 0.14 -1.14 -0.41 0.00 -2.27 0.00 0.00 64.05 60.37 1djw n THR 614 Cb 0.49 0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 69.01 1djw n THR 614 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1djw s PHE 615 N -1.48 2.67 -0.29 4.78 5.36 -1.26 -4.94 117.98 122.82 1djw s PHE 615 Ca 0.45 1.12 0.03 0.00 -0.96 0.00 0.00 56.93 57.57 1djw s PHE 615 Cb 0.27 -3.99 0.18 0.00 -0.34 0.00 0.00 43.02 39.14 1djw s PHE 615 CO 0.25 -2.98 0.52 1.21 -1.46 0.00 0.00 175.22 172.76 1djw s ASN 616 N -0.04 -0.85 0.61 6.13 3.84 -1.26 -4.14 114.94 119.22 1djw s ASN 616 Ca 0.54 0.09 0.28 0.00 0.21 0.00 0.00 52.86 53.98 1djw s ASN 616 Cb -0.46 1.70 1.40 0.00 -0.55 0.00 0.00 41.25 43.35 1djw s ASN 616 CO 0.59 -0.31 1.81 0.77 -2.79 0.00 0.00 177.10 177.17 1djw h SER 617 N 8.06 0.00 0.56 -4.21 4.64 -1.94 0.56 113.55 121.22 1djw h SER 617 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1djw h SER 617 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1djw h SER 617 CO 0.21 0.00 -0.65 0.54 -0.87 0.00 0.00 176.83 176.05 1djw n ARG 618 N -3.47 0.13 -3.48 4.77 1.74 -1.26 -4.42 116.66 110.67 1djw n ARG 618 Ca 0.08 0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.91 1djw n ARG 618 Cb 0.71 -1.57 -0.10 0.00 -1.02 0.00 0.00 32.46 30.49 1djw n ARG 618 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1djw n ALA 619 N -1.65 2.98 -2.41 7.54 0.00 0.19 -5.10 120.51 122.07 1djw n ALA 619 Ca 0.04 -3.53 -0.43 0.00 0.00 0.00 0.00 53.44 49.53 1djw n ALA 619 Cb 0.38 -0.82 -0.02 0.00 0.00 0.00 0.00 19.45 18.98 1djw n ALA 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1djw s LEU 620 N -0.55 4.25 0.00 0.00 1.43 -1.18 -4.33 118.68 118.30 1djw s LEU 620 Ca 0.32 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 55.23 1djw s LEU 620 Cb 0.04 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1djw s LEU 620 CO -0.17 -0.68 0.01 0.35 0.23 0.00 0.00 176.35 176.09 1djw n THR 621 N 4.94 0.00 -2.51 5.49 -2.24 -1.26 -5.10 114.28 113.61 1djw n THR 621 Ca 0.13 -1.97 -0.38 0.00 -2.27 0.00 0.00 64.05 59.55 1djw n THR 621 Cb 0.45 0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 69.02 1djw n THR 621 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1djw s GLN 622 N -3.53 4.41 0.00 -0.78 2.00 -1.26 -4.75 119.66 115.76 1djw s GLN 622 Ca 0.01 1.66 0.00 0.00 -2.00 0.00 0.00 55.36 55.03 1djw s GLN 622 Cb -0.00 -2.88 0.00 0.00 0.80 0.00 0.00 33.01 30.93 1djw s GLN 622 CO 0.01 0.04 0.00 0.41 -0.50 0.00 0.00 175.29 175.25 1djw n GLY 623 N 0.80 0.93 0.42 2.59 0.00 -1.26 -4.99 105.19 103.68 1djw n GLY 623 Ca 0.02 -0.88 0.23 0.00 0.00 0.00 0.00 46.02 45.39 1djw n GLY 623 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1djw h PRO 624 N 0.00 0.00 0.00 1.61 0.14 -2.02 0.72 132.00 132.45 1djw h PRO 624 Ca 0.00 0.00 -0.09 0.00 0.14 0.00 0.00 66.00 66.05 1djw h PRO 624 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.13 1djw h PRO 624 CO 0.00 0.00 -0.41 0.11 0.14 0.00 0.00 178.00 177.84 1djw h TRP 625 N 0.00 0.00 -2.41 1.56 0.09 -1.94 -3.40 115.95 109.85 1djw h TRP 625 Ca 0.28 0.00 -0.54 0.00 0.09 0.00 0.00 58.89 58.72 1djw h TRP 625 Cb 1.47 0.00 -0.08 0.00 0.08 0.00 0.00 29.16 30.63 1djw h TRP 625 CO 0.00 0.41 1.07 -0.46 0.09 0.00 0.00 178.44 179.55 1djw s TRP 626 N -3.94 2.28 -0.42 0.12 -0.11 0.24 -4.40 118.94 112.71 1djw s TRP 626 Ca -0.02 0.02 0.07 0.00 1.22 0.00 0.00 56.10 57.40 1djw s TRP 626 Cb 0.13 -4.60 0.24 0.00 -1.50 0.00 0.00 33.47 27.75 1djw s TRP 626 CO 0.72 -2.06 0.61 0.54 -4.62 0.00 0.00 176.95 172.14 1djw n ARG 627 N 9.30 0.69 -1.60 5.86 1.74 -0.15 -4.79 116.66 127.71 1djw n ARG 627 Ca 0.04 -2.80 -0.47 0.00 -0.77 0.00 0.00 57.85 53.86 1djw n ARG 627 Cb 0.49 -1.32 -0.03 0.00 -1.02 0.00 0.00 32.46 30.59 1djw n ARG 627 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1djw n PRO 628 N 1.62 1.41 -4.22 5.56 -0.02 -1.23 -4.60 135.00 133.52 1djw n PRO 628 Ca 0.18 0.50 -0.15 0.00 -2.02 0.00 0.00 63.50 62.01 1djw n PRO 628 Cb 0.55 -1.99 -0.11 0.00 -0.02 0.00 0.00 33.50 31.94 1djw n PRO 628 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1djw s GLU 629 N -0.77 0.96 -0.25 -0.52 0.41 0.10 -4.72 118.70 113.91 1djw s GLU 629 Ca 0.67 -1.29 -0.05 0.00 -0.41 0.00 0.00 54.97 53.89 1djw s GLU 629 Cb -0.76 -0.62 -0.01 0.00 -1.78 0.00 0.00 34.13 30.96 1djw s GLU 629 CO 0.54 0.09 0.02 1.03 -0.49 0.00 0.00 175.26 176.45 1djw s ARG 630 N -3.16 3.36 -0.13 1.61 0.52 0.56 -1.47 118.95 120.24 1djw s ARG 630 Ca 0.10 -0.66 -0.02 0.00 -0.52 0.00 0.00 55.73 54.63 1djw s ARG 630 Cb -0.01 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.25 1djw s ARG 630 CO 0.01 -0.26 -0.05 -1.17 0.02 0.00 0.00 175.30 173.85 1djw s LEU 631 N 1.51 3.23 -0.10 2.53 2.96 0.01 -0.94 118.68 127.88 1djw s LEU 631 Ca 0.05 -0.09 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 1djw s LEU 631 Cb -0.15 -1.76 0.01 0.00 0.50 0.00 0.00 46.19 44.79 1djw s LEU 631 CO -0.00 0.23 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.92 1djw s ARG 632 N -0.00 2.71 -0.10 1.98 0.52 0.21 -0.37 118.95 123.90 1djw s ARG 632 Ca 0.00 -0.75 0.02 0.00 -0.52 0.00 0.00 55.73 54.48 1djw s ARG 632 Cb -0.13 -2.13 0.02 0.00 0.52 0.00 0.00 34.95 33.23 1djw s ARG 632 CO 0.03 0.08 -0.13 0.08 0.02 0.00 0.00 175.30 175.37 1djw s VAL 633 N 0.58 1.34 -0.28 3.52 1.01 -0.22 -1.57 120.40 124.78 1djw s VAL 633 Ca -0.14 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 1djw s VAL 633 Cb -0.17 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 34.98 1djw s VAL 633 CO 0.04 0.41 0.04 -0.60 0.00 0.00 0.00 175.10 175.00 1djw s ARG 634 N 1.01 3.11 -0.53 2.72 3.52 -0.17 -0.93 118.95 127.68 1djw s ARG 634 Ca -0.07 -0.83 -0.25 0.00 -0.13 0.00 0.00 55.73 54.45 1djw s ARG 634 Cb -0.15 -3.26 0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1djw s ARG 634 CO -0.01 -0.40 0.96 0.42 -0.81 0.00 0.00 175.30 175.46 1djw s ILE 635 N 1.47 4.37 -0.05 4.11 -1.09 0.29 -1.90 121.20 128.41 1djw s ILE 635 Ca 0.03 0.46 -0.03 0.00 -2.23 0.00 0.00 60.65 58.88 1djw s ILE 635 Cb -0.17 -4.53 -0.01 0.00 -1.58 0.00 0.00 42.46 36.17 1djw s ILE 635 CO 0.01 -1.06 -0.05 0.40 -1.23 0.00 0.00 174.94 173.00 1djw h ILE 636 N 6.05 0.00 -3.87 2.92 2.04 -1.56 0.44 117.51 123.53 1djw h ILE 636 Ca -0.25 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.08 1djw h ILE 636 Cb 1.07 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.05 1djw h ILE 636 CO 1.08 0.00 -0.24 -0.94 0.00 0.00 0.00 178.15 178.05 1djw s SER 637 N -4.32 -0.03 0.06 1.72 1.04 -1.09 -0.13 113.70 110.95 1djw s SER 637 Ca -0.04 -1.02 0.09 0.00 0.48 0.00 0.00 55.95 55.46 1djw s SER 637 Cb 0.01 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1djw s SER 637 CO 0.06 -1.05 -0.25 -0.83 0.98 0.00 0.00 173.24 172.15 1djw s GLY 638 N -3.04 1.35 -0.15 7.32 0.00 -0.41 -0.48 107.32 111.90 1djw s GLY 638 Ca 0.25 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.74 1djw s GLY 638 CO 0.09 -1.16 -0.19 1.20 0.00 0.00 0.00 173.10 173.04 1djw s GLN 639 N -1.39 2.77 -1.36 2.90 1.11 -0.36 -3.37 119.66 119.97 1djw s GLN 639 Ca 0.11 -0.75 -0.04 0.00 0.01 0.00 0.00 55.36 54.68 1djw s GLN 639 Cb -0.10 -2.36 -0.00 0.00 -1.01 0.00 0.00 33.01 29.54 1djw s GLN 639 CO 0.03 -0.14 0.49 1.04 0.01 0.00 0.00 175.29 176.71 1djw n GLN 640 N 4.44 -2.96 -1.82 2.91 6.02 -0.87 -2.01 117.38 123.09 1djw n GLN 640 Ca -0.20 0.41 -0.42 0.00 -0.01 0.00 0.00 57.00 56.78 1djw n GLN 640 Cb 0.51 -4.43 -0.03 0.00 1.02 0.00 0.00 30.24 27.30 1djw n GLN 640 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1djw s LEU 641 N -6.90 4.38 0.35 1.08 1.43 0.83 -4.12 118.68 115.72 1djw s LEU 641 Ca 0.08 2.71 -0.29 0.00 -1.03 0.00 0.00 54.13 55.61 1djw s LEU 641 Cb -0.03 -3.58 -0.11 0.00 0.03 0.00 0.00 46.19 42.50 1djw s LEU 641 CO 0.88 -0.92 1.40 -2.16 0.23 0.00 0.00 176.35 175.78 1djw s PRO 642 N 1.74 4.24 -0.46 1.29 0.04 -1.26 -4.73 135.00 135.86 1djw s PRO 642 Ca 0.75 2.38 -0.20 0.00 0.04 0.00 0.00 61.00 63.96 1djw s PRO 642 Cb -0.46 -3.03 0.03 0.00 0.04 0.00 0.00 34.50 31.09 1djw s PRO 642 CO 0.33 -0.36 0.65 0.21 0.04 0.00 0.00 177.00 177.87 1djw s LYS 643 N -1.83 3.24 -0.01 4.56 2.47 -1.26 -4.92 119.74 122.00 1djw s LYS 643 Ca 0.51 -0.48 -0.04 0.00 -1.56 0.00 0.00 55.97 54.40 1djw s LYS 643 Cb -0.43 -3.99 -0.02 0.00 -1.46 0.00 0.00 37.83 31.93 1djw s LYS 643 CO 0.57 -1.08 0.55 -0.39 0.16 0.00 0.00 175.35 175.16 1djw h VAL 644 N 5.88 0.00 -0.05 4.02 -1.51 -1.93 -3.50 116.25 119.17 1djw h VAL 644 Ca -0.26 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 1djw h VAL 644 Cb 1.09 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.25 1djw h VAL 644 CO 0.92 0.00 0.00 -3.20 -1.23 0.00 0.00 177.57 174.06 1djw n ASN 645 N -2.77 0.00 -1.30 4.19 5.15 -1.26 -4.85 115.26 114.41 1djw n ASN 645 Ca -0.02 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.00 1djw n ASN 645 Cb 0.06 -0.03 0.23 0.00 -0.53 0.00 0.00 39.78 39.51 1djw n ASN 645 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1djw n LYS 646 N -0.04 3.20 0.00 1.20 4.81 -1.26 -5.02 118.16 121.04 1djw n LYS 646 Ca 0.00 -1.79 0.00 0.00 -0.87 0.00 0.00 58.31 55.65 1djw n LYS 646 Cb 0.00 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.12 1djw n LYS 646 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1djw n ASN 647 N 0.34 0.00 -2.13 3.14 5.15 -1.26 -5.04 115.26 115.46 1djw n ASN 647 Ca 0.16 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.13 1djw n ASN 647 Cb 0.80 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 40.04 1djw n ASN 647 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1djw n LYS 648 N 0.65 -2.14 -3.66 1.20 0.00 -1.26 -4.54 118.16 108.41 1djw n LYS 648 Ca 0.00 1.89 -0.21 0.00 0.00 0.00 0.00 58.31 60.00 1djw n LYS 648 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 35.03 31.73 1djw n LYS 648 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1djw n ASN 649 N 0.60 -5.41 -2.05 3.14 0.23 -1.26 -4.82 115.26 105.70 1djw n ASN 649 Ca -0.10 -0.81 -0.09 0.00 -0.53 0.00 0.00 54.58 53.06 1djw n ASN 649 Cb 0.15 -2.42 -0.13 0.00 -2.08 0.00 0.00 39.78 35.30 1djw n ASN 649 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1djw n SER 650 N -2.45 4.26 -3.95 0.53 7.64 -1.26 -4.78 113.62 113.62 1djw n SER 650 Ca -0.25 -2.28 -0.29 0.00 1.01 0.00 0.00 58.87 57.06 1djw n SER 650 Cb 0.65 -1.13 -0.16 0.00 -1.01 0.00 0.00 64.21 62.55 1djw n SER 650 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1djw s ILE 651 N 1.29 1.33 0.64 0.44 -1.16 -1.26 -4.95 121.20 117.53 1djw s ILE 651 Ca 0.50 -0.63 -0.17 0.00 -0.51 0.00 0.00 60.65 59.84 1djw s ILE 651 Cb 0.24 -1.37 -0.05 0.00 0.61 0.00 0.00 42.46 41.89 1djw s ILE 651 CO 0.00 0.29 0.77 1.33 -2.81 0.00 0.00 174.94 174.52 1djw n VAL 652 N 4.82 2.91 -3.56 4.00 0.24 -1.26 -4.59 118.33 120.89 1djw n VAL 652 Ca -0.14 -0.46 -0.27 0.00 -2.04 0.00 0.00 64.34 61.43 1djw n VAL 652 Cb 0.49 -0.95 -0.10 0.00 -1.47 0.00 0.00 33.84 31.81 1djw n VAL 652 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1djw n ASP 653 N -0.54 2.14 -4.79 -1.34 9.92 -1.26 -0.94 116.55 119.75 1djw n ASP 653 Ca 0.13 -3.04 -0.35 0.00 -0.53 0.00 0.00 54.79 50.99 1djw n ASP 653 Cb 0.48 -0.68 -0.04 0.00 -0.64 0.00 0.00 41.12 40.25 1djw n ASP 653 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1djw s PRO 654 N -1.42 3.97 0.06 -0.24 0.04 -1.13 -1.51 135.00 134.77 1djw s PRO 654 Ca 0.32 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 62.77 1djw s PRO 654 Cb 0.06 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1djw s PRO 654 CO -0.12 -0.29 -0.03 -1.59 0.04 0.00 0.00 177.00 175.00 1djw s LYS 655 N -2.93 0.67 -0.03 4.56 -2.85 -0.88 -1.28 119.74 117.00 1djw s LYS 655 Ca 0.63 -1.25 0.05 0.00 -1.00 0.00 0.00 55.97 54.39 1djw s LYS 655 Cb -0.18 0.13 -0.01 0.00 -2.06 0.00 0.00 37.83 35.71 1djw s LYS 655 CO 0.23 -0.10 -0.17 0.08 0.10 0.00 0.00 175.35 175.48 1djw s VAL 656 N -3.87 1.43 -0.10 1.79 1.01 -1.26 -2.24 120.40 117.17 1djw s VAL 656 Ca 0.09 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.35 1djw s VAL 656 Cb 0.07 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.21 1djw s VAL 656 CO -0.08 0.41 -0.13 -0.63 0.00 0.00 0.00 175.10 174.67 1djw s ILE 657 N -0.11 3.09 -0.12 2.22 -1.09 0.65 -0.43 121.20 125.42 1djw s ILE 657 Ca -0.00 -0.68 0.03 0.00 -2.23 0.00 0.00 60.65 57.77 1djw s ILE 657 Cb -0.10 -2.26 0.01 0.00 -1.58 0.00 0.00 42.46 38.53 1djw s ILE 657 CO 0.01 0.55 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.37 1djw s VAL 658 N -0.12 1.99 0.05 2.92 1.01 0.45 -0.38 120.40 126.32 1djw s VAL 658 Ca -0.01 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.08 1djw s VAL 658 Cb -0.14 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.47 1djw s VAL 658 CO 0.03 0.54 -0.20 -1.61 0.00 0.00 0.00 175.10 173.87 1djw s GLU 659 N 0.66 1.28 -0.20 2.72 2.02 0.51 -0.37 118.70 125.33 1djw s GLU 659 Ca -0.11 -0.95 -0.04 0.00 0.02 0.00 0.00 54.97 53.89 1djw s GLU 659 Cb -0.16 -1.40 -0.02 0.00 0.10 0.00 0.00 34.13 32.65 1djw s GLU 659 CO 0.02 0.35 -0.03 0.42 0.02 0.00 0.00 175.26 176.04 1djw s ILE 660 N -0.86 3.58 -0.09 -1.63 -1.09 0.12 -0.16 121.20 121.07 1djw s ILE 660 Ca 0.06 -0.43 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 1djw s ILE 660 Cb -0.09 -2.61 -0.02 0.00 -1.58 0.00 0.00 42.46 38.16 1djw s ILE 660 CO 0.02 0.43 -0.13 -1.00 -1.23 0.00 0.00 174.94 173.04 1djw s HIS 661 N 1.18 2.78 -2.25 3.97 3.76 -0.13 -1.95 115.29 122.65 1djw s HIS 661 Ca 0.02 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.59 1djw s HIS 661 Cb -0.14 -1.74 0.00 0.00 1.11 0.00 0.00 32.58 31.81 1djw s HIS 661 CO -0.00 0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.32 1djw n GLY 662 N 2.85 -0.65 3.68 -2.22 0.00 -1.26 -0.26 105.19 107.33 1djw n GLY 662 Ca -0.18 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 1djw n GLY 662 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1djw n VAL 663 N 4.05 3.73 -0.34 1.61 0.24 -1.26 -4.64 118.33 121.72 1djw n VAL 663 Ca 0.00 -0.50 0.24 0.00 -2.04 0.00 0.00 64.34 62.04 1djw n VAL 663 Cb 0.00 -1.38 0.52 0.00 -1.47 0.00 0.00 33.84 31.51 1djw n VAL 663 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1djw h GLY 664 N 0.99 1.27 2.00 7.63 0.00 -1.98 0.15 103.07 113.13 1djw h GLY 664 Ca -0.49 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 46.61 1djw h GLY 664 CO 0.54 -0.18 -0.15 -0.09 0.00 0.00 0.00 176.54 176.65 1djw h ARG 665 N 0.36 0.00 0.00 4.80 2.43 -1.87 -3.02 114.38 117.08 1djw h ARG 665 Ca 0.63 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 1djw h ARG 665 Cb 1.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.19 1djw h ARG 665 CO -0.33 0.15 -1.25 -0.25 -1.51 0.00 0.00 179.97 176.79 1djw n ASP 666 N -4.22 0.56 -4.74 -3.80 8.00 0.51 -4.95 116.55 107.90 1djw n ASP 666 Ca -0.02 -0.32 -0.42 0.00 0.71 0.00 0.00 54.79 54.74 1djw n ASP 666 Cb 0.23 1.11 -0.02 0.00 -0.02 0.00 0.00 41.12 42.42 1djw n ASP 666 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1djw s THR 667 N -3.24 2.13 0.16 -3.53 -4.23 -1.02 -4.75 115.64 101.17 1djw s THR 667 Ca 0.02 0.11 -0.22 0.00 -1.18 0.00 0.00 61.69 60.42 1djw s THR 667 Cb 0.14 -3.07 0.06 0.00 1.34 0.00 0.00 72.50 70.98 1djw s THR 667 CO 0.84 0.02 0.57 -0.83 -0.54 0.00 0.00 174.62 174.68 1djw s GLY 668 N 0.59 -0.56 -0.05 3.99 0.00 -0.82 -4.96 107.32 105.52 1djw s GLY 668 Ca 0.65 0.39 -0.11 0.00 0.00 0.00 0.00 44.72 45.64 1djw s GLY 668 CO 0.45 0.08 0.27 -0.45 0.00 0.00 0.00 173.10 173.45 1djw s SER 669 N -2.76 -0.20 0.04 1.64 0.15 -1.26 0.11 113.70 111.42 1djw s SER 669 Ca 0.02 0.24 -0.09 0.00 0.70 0.00 0.00 55.95 56.82 1djw s SER 669 Cb -0.01 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1djw s SER 669 CO -0.12 -0.29 0.17 -0.13 1.20 0.00 0.00 173.24 174.07 1djw s ARG 670 N -0.73 0.65 0.04 5.44 1.81 0.51 -4.97 118.95 121.70 1djw s ARG 670 Ca -0.08 -0.63 0.02 0.00 -1.72 0.00 0.00 55.73 53.31 1djw s ARG 670 Cb -0.04 0.27 -0.03 0.00 -0.45 0.00 0.00 34.95 34.70 1djw s ARG 670 CO 0.02 -0.18 -0.06 1.14 -0.68 0.00 0.00 175.30 175.53 1djw s GLN 671 N -2.46 0.52 0.76 3.54 -2.07 -1.26 -0.41 119.66 118.27 1djw s GLN 671 Ca -0.06 -0.81 -0.05 0.00 -1.82 0.00 0.00 55.36 52.62 1djw s GLN 671 Cb -0.02 -0.18 0.13 0.00 -1.09 0.00 0.00 33.01 31.85 1djw s GLN 671 CO -0.03 0.02 1.06 0.95 -1.32 0.00 0.00 175.29 175.96 1djw s THR 672 N -1.74 2.16 1.01 3.63 -4.23 0.43 -4.99 115.64 111.92 1djw s THR 672 Ca -0.08 -0.40 -0.15 0.00 -1.18 0.00 0.00 61.69 59.88 1djw s THR 672 Cb -0.08 -2.76 0.20 0.00 1.34 0.00 0.00 72.50 71.20 1djw s THR 672 CO -0.01 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 175.25 1djw s ALA 673 N -3.31 1.52 -0.14 3.99 0.00 -1.26 -4.54 121.76 118.01 1djw s ALA 673 Ca 0.66 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 51.74 1djw s ALA 673 Cb -0.06 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 1djw s ALA 673 CO 0.46 -2.73 0.10 0.08 0.00 0.00 0.00 175.76 173.67 1djw s VAL 674 N -3.34 5.13 -0.29 0.00 1.01 -1.26 -4.44 120.40 117.20 1djw s VAL 674 Ca 0.69 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.63 1djw s VAL 674 Cb -0.11 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1djw s VAL 674 CO 0.54 0.55 0.19 -0.63 0.00 0.00 0.00 175.10 175.75 1djw s ILE 675 N -0.48 5.14 0.13 2.22 -1.09 -0.40 -4.99 121.20 121.73 1djw s ILE 675 Ca 0.11 -0.00 -0.28 0.00 -2.23 0.00 0.00 60.65 58.25 1djw s ILE 675 Cb -0.12 -3.51 -0.07 0.00 -1.58 0.00 0.00 42.46 37.19 1djw s ILE 675 CO 0.02 0.18 0.87 0.42 -1.23 0.00 0.00 174.94 175.20 1djw s THR 676 N 1.72 4.46 -1.38 2.92 -4.23 -1.26 -2.84 115.64 115.04 1djw s THR 676 Ca 0.07 1.89 -0.07 0.00 -1.18 0.00 0.00 61.69 62.39 1djw s THR 676 Cb -0.16 -4.23 0.03 0.00 1.34 0.00 0.00 72.50 69.47 1djw s THR 676 CO 0.10 0.40 0.97 0.59 -0.54 0.00 0.00 174.62 176.14 1djw n ASN 677 N 2.32 -3.87 -3.66 3.99 4.13 -1.17 -4.97 115.26 112.04 1djw n ASN 677 Ca -0.01 -0.70 -0.07 0.00 1.68 0.00 0.00 54.58 55.48 1djw n ASN 677 Cb 0.49 -4.44 -0.08 0.00 -1.54 0.00 0.00 39.78 34.21 1djw n ASN 677 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1djw s ASN 678 N -3.75 -0.49 0.00 6.41 2.47 -0.11 -4.70 114.94 114.77 1djw s ASN 678 Ca 0.37 1.14 0.00 0.00 0.42 0.00 0.00 52.86 54.79 1djw s ASN 678 Cb -0.18 1.57 0.00 0.00 -1.45 0.00 0.00 41.25 41.19 1djw s ASN 678 CO 0.78 -0.23 0.00 0.61 -3.72 0.00 0.00 177.10 174.54 1djw n GLY 679 N 5.36 0.44 0.20 1.21 0.00 -1.26 -4.25 105.19 106.89 1djw n GLY 679 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.87 1djw n GLY 679 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1djw h PHE 680 N 0.00 0.44 0.00 1.61 3.57 -1.85 0.24 116.94 120.95 1djw h PHE 680 Ca 0.00 -0.13 -0.13 0.00 3.53 0.00 0.00 57.97 61.24 1djw h PHE 680 Cb 0.00 -0.09 -0.11 0.00 2.79 0.00 0.00 35.95 38.54 1djw h PHE 680 CO 0.00 0.75 0.01 0.27 -2.23 0.00 0.00 178.31 177.11 1djw n ASN 681 N -4.00 -1.38 -4.63 0.41 0.23 -1.24 -2.06 115.26 102.58 1djw n ASN 681 Ca -0.02 -1.91 -0.36 0.00 -0.53 0.00 0.00 54.58 51.76 1djw n ASN 681 Cb 0.52 1.00 0.09 0.00 -2.08 0.00 0.00 39.78 39.30 1djw n ASN 681 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 1djw n PRO 682 N -0.55 0.57 -4.12 -0.53 -0.04 -1.22 -4.73 135.00 124.39 1djw n PRO 682 Ca -0.19 0.25 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 1djw n PRO 682 Cb 0.71 -2.26 -0.17 0.00 -0.04 0.00 0.00 33.50 31.74 1djw n PRO 682 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1djw s ARG 683 N -3.35 0.94 -0.13 0.54 3.52 -1.26 -1.29 118.95 117.91 1djw s ARG 683 Ca 0.74 -0.11 -0.01 0.00 -0.13 0.00 0.00 55.73 56.22 1djw s ARG 683 Cb -0.35 -0.98 -0.08 0.00 -1.56 0.00 0.00 34.95 31.99 1djw s ARG 683 CO 0.49 -0.12 -0.13 0.91 -0.81 0.00 0.00 175.30 175.63 1djw n TRP 684 N 4.27 0.00 -3.78 5.12 8.01 0.82 -4.97 117.44 126.90 1djw n TRP 684 Ca -0.21 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.72 1djw n TRP 684 Cb 0.51 -0.50 0.02 0.00 -2.01 0.00 0.00 31.31 29.32 1djw n TRP 684 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1djw n ASP 685 N -3.10 -2.50 -4.27 -0.99 8.00 -0.43 -4.98 116.55 108.27 1djw n ASP 685 Ca -0.24 -0.97 -0.28 0.00 0.71 0.00 0.00 54.79 54.01 1djw n ASP 685 Cb 0.73 -3.43 -0.15 0.00 -0.02 0.00 0.00 41.12 38.25 1djw n ASP 685 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1djw s MET 686 N -6.17 1.75 -0.02 -1.24 1.75 0.02 -4.95 119.30 110.44 1djw s MET 686 Ca 0.19 -0.90 0.06 0.00 -1.25 0.00 0.00 55.69 53.78 1djw s MET 686 Cb -0.07 -1.77 -0.01 0.00 2.84 0.00 0.00 34.83 35.82 1djw s MET 686 CO 0.86 0.47 -0.18 -2.00 -0.65 0.00 0.00 175.02 173.52 1djw s GLU 687 N -0.81 1.50 0.06 4.11 2.12 -1.26 0.11 118.70 124.53 1djw s GLU 687 Ca 0.09 -0.65 0.08 0.00 0.36 0.00 0.00 54.97 54.85 1djw s GLU 687 Cb -0.09 -1.44 -0.03 0.00 0.26 0.00 0.00 34.13 32.83 1djw s GLU 687 CO 0.00 0.38 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.82 1djw s PHE 688 N -0.40 1.97 -0.04 5.30 0.08 -0.11 -4.97 117.98 119.82 1djw s PHE 688 Ca 0.06 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.79 1djw s PHE 688 Cb -0.07 -1.15 -0.01 0.00 -0.57 0.00 0.00 43.02 41.21 1djw s PHE 688 CO -0.01 0.14 -0.24 -2.00 -0.10 0.00 0.00 175.22 173.01 1djw s GLU 689 N -1.38 2.24 0.07 0.44 -6.30 -1.26 -1.06 118.70 111.45 1djw s GLU 689 Ca 0.09 -0.87 0.06 0.00 -2.50 0.00 0.00 54.97 51.76 1djw s GLU 689 Cb -0.09 -2.00 -0.03 0.00 0.00 0.00 0.00 34.13 32.01 1djw s GLU 689 CO 0.03 0.43 -0.17 -0.06 0.02 0.00 0.00 175.26 175.51 1djw s PHE 690 N -0.32 1.43 -0.19 5.30 0.08 0.51 -4.98 117.98 119.81 1djw s PHE 690 Ca 0.02 -0.42 -0.07 0.00 0.12 0.00 0.00 56.93 56.58 1djw s PHE 690 Cb -0.12 -0.81 -0.04 0.00 -0.57 0.00 0.00 43.02 41.49 1djw s PHE 690 CO 0.02 0.10 0.04 -2.00 -0.10 0.00 0.00 175.22 173.28 1djw s GLU 691 N -1.65 3.85 -0.20 0.44 2.12 -1.26 -0.81 118.70 121.19 1djw s GLU 691 Ca 0.02 -0.41 0.01 0.00 0.36 0.00 0.00 54.97 54.95 1djw s GLU 691 Cb -0.10 -3.17 0.04 0.00 0.26 0.00 0.00 34.13 31.17 1djw s GLU 691 CO 0.03 0.18 -0.11 0.08 -0.54 0.00 0.00 175.26 174.90 1djw s VAL 692 N 0.59 1.66 -0.10 3.70 1.01 -0.54 -4.84 120.40 121.88 1djw s VAL 692 Ca 0.02 -1.00 0.15 0.00 0.00 0.00 0.00 61.98 61.15 1djw s VAL 692 Cb -0.13 -1.72 -0.11 0.00 0.00 0.00 0.00 36.38 34.42 1djw s VAL 692 CO 0.02 0.19 0.99 0.71 0.00 0.00 0.00 175.10 177.01 1djw h THR 693 N 6.37 0.72 -2.14 3.92 1.35 -1.85 0.29 112.91 121.58 1djw h THR 693 Ca -0.29 -2.24 -0.55 0.00 -0.55 0.00 0.00 66.41 62.78 1djw h THR 693 Cb 1.10 2.23 -0.41 0.00 -1.73 0.00 0.00 68.15 69.34 1djw h THR 693 CO 0.48 0.41 -0.89 0.52 -0.25 0.00 0.00 175.52 175.80 1djw n VAL 694 N -3.02 1.42 0.16 6.82 0.31 -1.26 -0.97 118.33 121.78 1djw n VAL 694 Ca -0.07 -5.01 0.19 0.00 -0.01 0.00 0.00 64.34 59.43 1djw n VAL 694 Cb 0.85 -1.14 0.74 0.00 -0.91 0.00 0.00 33.84 33.38 1djw n VAL 694 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1djw h PRO 695 N 3.24 0.00 0.00 5.55 0.13 -1.81 -0.59 132.00 138.52 1djw h PRO 695 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1djw h PRO 695 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1djw h PRO 695 CO 0.67 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.00 1djw h ASP 696 N 0.00 0.00 -0.13 1.44 3.32 -1.91 -2.37 116.42 116.76 1djw h ASP 696 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1djw h ASP 696 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1djw h ASP 696 CO -0.00 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.70 1djw n LEU 697 N -2.56 2.18 -4.91 1.55 4.77 -0.23 -4.84 117.00 112.96 1djw n LEU 697 Ca 0.01 -1.53 -0.28 0.00 -0.03 0.00 0.00 56.01 54.17 1djw n LEU 697 Cb 0.21 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1djw n LEU 697 CO 0.20 0.51 0.19 0.00 -1.33 0.00 0.00 177.39 176.96 1djw s ALA 698 N -0.83 3.65 0.00 -1.18 0.00 -0.89 -4.26 121.76 118.24 1djw s ALA 698 Ca 0.13 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 1djw s ALA 698 Cb 0.07 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.93 1djw s ALA 698 CO 0.10 0.22 0.02 -0.51 0.00 0.00 0.00 175.76 175.59 1djw s LEU 699 N -3.63 1.99 -0.16 0.00 1.02 0.64 -1.07 118.68 117.48 1djw s LEU 699 Ca 0.43 -0.15 -0.02 0.00 0.02 0.00 0.00 54.13 54.41 1djw s LEU 699 Cb -0.11 0.13 -0.01 0.00 0.02 0.00 0.00 46.19 46.22 1djw s LEU 699 CO 0.31 -0.13 -0.09 -0.69 0.02 0.00 0.00 176.35 175.77 1djw s VAL 700 N -0.57 3.29 -0.05 -1.59 1.01 0.69 -0.95 120.40 122.23 1djw s VAL 700 Ca -0.06 -0.56 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1djw s VAL 700 Cb -0.04 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1djw s VAL 700 CO -0.00 0.49 -0.25 -0.60 0.00 0.00 0.00 175.10 174.74 1djw s ARG 701 N 0.74 2.45 -0.20 2.72 3.52 0.77 -0.51 118.95 128.44 1djw s ARG 701 Ca -0.04 -0.90 -0.04 0.00 -0.13 0.00 0.00 55.73 54.63 1djw s ARG 701 Cb -0.15 -2.11 -0.02 0.00 -1.56 0.00 0.00 34.95 31.11 1djw s ARG 701 CO 0.02 0.40 -0.04 -0.06 -0.81 0.00 0.00 175.30 174.81 1djw s PHE 702 N -0.22 2.97 -0.06 5.12 0.08 0.77 -0.36 117.98 126.29 1djw s PHE 702 Ca -0.02 -0.70 0.03 0.00 0.12 0.00 0.00 56.93 56.36 1djw s PHE 702 Cb -0.13 -2.06 0.01 0.00 -0.57 0.00 0.00 43.02 40.27 1djw s PHE 702 CO 0.03 -0.38 -0.13 1.41 -0.10 0.00 0.00 175.22 176.05 1djw s MET 703 N 1.13 1.66 -0.23 0.44 -2.45 0.49 -1.17 119.30 119.18 1djw s MET 703 Ca 0.02 -0.45 -0.06 0.00 -1.25 0.00 0.00 55.69 53.95 1djw s MET 703 Cb -0.15 -1.39 -0.02 0.00 1.25 0.00 0.00 34.83 34.52 1djw s MET 703 CO -0.00 0.08 0.02 0.08 1.05 0.00 0.00 175.02 176.25 1djw s VAL 704 N 0.48 3.99 0.21 10.11 1.01 0.56 -0.25 120.40 136.50 1djw s VAL 704 Ca -0.11 -0.29 0.09 0.00 0.00 0.00 0.00 61.98 61.67 1djw s VAL 704 Cb -0.14 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 1djw s VAL 704 CO 0.03 0.39 -0.05 -1.61 0.00 0.00 0.00 175.10 173.86 1djw s GLU 705 N 1.36 2.19 -0.33 2.72 2.02 -0.95 0.12 118.70 125.83 1djw s GLU 705 Ca 0.05 -1.31 -0.10 0.00 0.02 0.00 0.00 54.97 53.62 1djw s GLU 705 Cb -0.15 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 31.90 1djw s GLU 705 CO 0.01 0.41 0.18 0.34 0.02 0.00 0.00 175.26 176.22 1djw s ASP 706 N -3.16 5.66 0.18 -0.19 -1.08 0.38 -2.06 116.67 116.40 1djw s ASP 706 Ca 0.28 -0.64 -0.30 0.00 -0.52 0.00 0.00 52.55 51.36 1djw s ASP 706 Cb -0.08 -2.02 -0.08 0.00 -1.46 0.00 0.00 42.92 39.27 1djw s ASP 706 CO 0.17 -0.25 1.30 -0.47 0.52 0.00 0.00 175.17 176.44 1djw s TYR 707 N 1.61 3.28 -0.14 -5.34 5.04 -0.57 -1.88 117.35 119.34 1djw s TYR 707 Ca 0.04 1.22 -0.01 0.00 -2.44 0.00 0.00 57.07 55.89 1djw s TYR 707 Cb -0.18 -3.59 0.04 0.00 0.35 0.00 0.00 41.96 38.58 1djw s TYR 707 CO 0.07 -1.83 -0.05 -0.51 -1.34 0.00 0.00 175.55 171.88 1djw s ASP 708 N 0.41 2.54 0.23 4.32 1.01 -1.26 -4.73 116.67 119.19 1djw s ASP 708 Ca 0.57 -0.51 -0.07 0.00 0.71 0.00 0.00 52.55 53.24 1djw s ASP 708 Cb -0.36 -0.85 0.27 0.00 1.01 0.00 0.00 42.92 43.00 1djw s ASP 708 CO 0.37 -0.17 1.86 0.77 0.21 0.00 0.00 175.17 178.21 1djw h SER 709 N 8.16 0.83 0.25 0.27 4.64 -1.95 -3.27 113.55 122.47 1djw h SER 709 Ca -0.25 0.01 -0.34 0.00 -0.47 0.00 0.00 61.79 60.73 1djw h SER 709 Cb 1.12 -0.17 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1djw h SER 709 CO 0.39 0.55 -1.75 0.77 -0.87 0.00 0.00 176.83 175.92 1djw h SER 710 N 0.97 0.50 -0.76 4.97 4.64 -2.02 -3.49 113.55 118.36 1djw h SER 710 Ca 0.34 -0.81 -0.58 0.00 -0.47 0.00 0.00 61.79 60.27 1djw h SER 710 Cb 0.08 -0.16 -0.06 0.00 -0.31 0.00 0.00 62.40 61.94 1djw h SER 710 CO -0.14 1.69 -0.36 -0.94 -0.87 0.00 0.00 176.83 176.21 1djw s SER 711 N -7.12 4.58 0.50 4.97 1.04 -1.23 -5.09 113.70 111.34 1djw s SER 711 Ca -0.15 -1.23 -0.21 0.00 0.48 0.00 0.00 55.95 54.83 1djw s SER 711 Cb 0.06 0.23 -0.06 0.00 0.10 0.00 0.00 66.02 66.34 1djw s SER 711 CO 0.84 -0.96 1.18 -0.75 0.98 0.00 0.00 173.24 174.52 1djw s LYS 712 N -4.17 3.52 0.02 4.02 2.20 -1.26 -4.34 119.74 119.74 1djw s LYS 712 Ca 0.33 1.77 -0.30 0.00 -0.36 0.00 0.00 55.97 57.41 1djw s LYS 712 Cb -0.01 -2.24 -0.05 0.00 -1.51 0.00 0.00 37.83 34.02 1djw s LYS 712 CO 0.20 -0.75 1.19 -0.80 -0.36 0.00 0.00 175.35 174.83 1djw s ASN 713 N -1.46 7.08 0.59 1.43 0.01 -1.26 -4.70 114.94 116.63 1djw s ASN 713 Ca 0.68 1.94 -0.20 0.00 -0.71 0.00 0.00 52.86 54.58 1djw s ASN 713 Cb -0.28 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.77 1djw s ASN 713 CO 0.33 -0.50 1.26 -1.81 -1.51 0.00 0.00 177.10 174.88 1djw s ASP 714 N 1.20 5.13 0.04 -1.22 1.11 -0.79 -4.65 116.67 117.49 1djw s ASP 714 Ca 0.58 2.52 -0.26 0.00 0.18 0.00 0.00 52.55 55.57 1djw s ASP 714 Cb -0.28 -2.61 -0.05 0.00 1.07 0.00 0.00 42.92 41.05 1djw s ASP 714 CO 0.27 -1.64 0.79 0.12 1.18 0.00 0.00 175.17 175.89 1djw s PHE 715 N -1.48 3.72 -0.20 4.23 2.19 -1.26 0.14 117.98 125.32 1djw s PHE 715 Ca 0.77 1.49 -0.09 0.00 0.33 0.00 0.00 56.93 59.43 1djw s PHE 715 Cb -0.34 -2.86 -0.09 0.00 -1.31 0.00 0.00 43.02 38.42 1djw s PHE 715 CO 0.38 0.23 -0.25 -0.89 1.83 0.00 0.00 175.22 176.52 1djw n ILE 716 N 2.98 1.11 -3.67 3.12 5.41 0.33 -4.82 119.36 123.81 1djw n ILE 716 Ca -0.01 -0.30 -0.02 0.00 1.00 0.00 0.00 62.75 63.42 1djw n ILE 716 Cb 0.50 -1.70 -0.01 0.00 -0.71 0.00 0.00 39.64 37.72 1djw n ILE 716 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1djw s GLY 717 N -5.43 -0.32 0.21 7.39 0.00 -1.09 -4.76 107.32 103.32 1djw s GLY 717 Ca -0.28 0.50 -0.20 0.00 0.00 0.00 0.00 44.72 44.75 1djw s GLY 717 CO 0.37 0.11 0.59 1.62 0.00 0.00 0.00 173.10 175.78 1djw s GLN 718 N -2.91 1.46 -0.28 2.90 -0.44 -0.58 -0.33 119.66 119.49 1djw s GLN 718 Ca 0.12 -0.81 -0.15 0.00 -2.50 0.00 0.00 55.36 52.01 1djw s GLN 718 Cb 0.01 0.56 0.08 0.00 -1.64 0.00 0.00 33.01 32.02 1djw s GLN 718 CO -0.01 -0.64 0.67 0.45 0.50 0.00 0.00 175.29 176.26 1djw s SER 719 N -2.86 -0.94 -0.13 6.67 0.15 -0.31 0.26 113.70 116.54 1djw s SER 719 Ca 0.08 1.49 0.03 0.00 0.70 0.00 0.00 55.95 58.25 1djw s SER 719 Cb -0.02 1.42 0.01 0.00 -1.71 0.00 0.00 66.02 65.71 1djw s SER 719 CO -0.02 -0.24 -0.21 -0.89 1.20 0.00 0.00 173.24 173.08 1djw s THR 720 N 1.71 1.98 -0.13 6.45 2.01 -1.26 -0.16 115.64 126.24 1djw s THR 720 Ca -0.10 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 60.97 1djw s THR 720 Cb -0.06 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.72 1djw s THR 720 CO -0.20 0.54 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.52 1djw s ILE 721 N 0.79 1.37 0.32 1.82 1.01 0.33 -4.58 121.20 122.26 1djw s ILE 721 Ca -0.08 -0.51 -0.29 0.00 0.00 0.00 0.00 60.65 59.77 1djw s ILE 721 Cb -0.16 -1.31 -0.11 0.00 0.01 0.00 0.00 42.46 40.90 1djw s ILE 721 CO -0.01 0.42 1.51 -2.84 0.00 0.00 0.00 174.94 174.03 1djw s PRO 722 N 1.51 4.16 0.23 2.79 0.02 -1.26 -0.22 135.00 142.22 1djw s PRO 722 Ca 0.04 2.51 -0.18 0.00 0.02 0.00 0.00 61.00 63.39 1djw s PRO 722 Cb -0.13 -3.02 0.24 0.00 0.02 0.00 0.00 34.50 31.61 1djw s PRO 722 CO -0.09 -0.53 1.55 2.35 -0.33 0.00 0.00 177.00 179.95 1djw h TRP 723 N 4.07 -1.09 0.00 6.54 2.91 -1.35 0.27 115.95 127.29 1djw h TRP 723 Ca -0.48 0.11 0.00 0.00 1.13 0.00 0.00 58.89 59.64 1djw h TRP 723 Cb 1.23 0.62 0.00 0.00 -0.51 0.00 0.00 29.16 30.50 1djw h TRP 723 CO 0.57 -0.40 0.00 0.09 -1.03 0.00 0.00 178.44 177.66 1djw n ASN 724 N -5.47 0.00 -0.42 2.65 3.02 -1.26 -1.68 115.26 112.09 1djw n ASN 724 Ca 0.10 -0.51 0.06 0.00 -0.03 0.00 0.00 54.58 54.20 1djw n ASN 724 Cb 0.40 -0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.59 1djw n ASN 724 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1djw n SER 725 N -1.01 1.81 -4.60 6.41 7.64 0.92 -4.93 113.62 119.84 1djw n SER 725 Ca 0.13 -1.40 -0.43 0.00 1.01 0.00 0.00 58.87 58.17 1djw n SER 725 Cb 0.06 0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 1djw n SER 725 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1djw s LEU 726 N -1.21 3.59 0.48 -3.43 2.96 -0.68 0.65 118.68 121.03 1djw s LEU 726 Ca 0.13 0.81 -0.21 0.00 -0.22 0.00 0.00 54.13 54.65 1djw s LEU 726 Cb 0.10 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.16 1djw s LEU 726 CO 0.19 -1.42 1.03 -0.54 -1.32 0.00 0.00 176.35 174.29 1djw s LYS 727 N 4.91 3.86 0.41 1.98 -0.14 0.72 -4.91 119.74 126.57 1djw s LYS 727 Ca 0.61 1.34 0.08 0.00 -1.36 0.00 0.00 55.97 56.64 1djw s LYS 727 Cb -0.13 -2.13 0.01 0.00 -1.68 0.00 0.00 37.83 33.90 1djw s LYS 727 CO 0.32 -0.37 0.54 -0.65 -0.76 0.00 0.00 175.35 174.43 1djw s GLN 728 N -3.19 2.83 1.46 1.68 -0.21 -1.26 -4.73 119.66 116.24 1djw s GLN 728 Ca 0.66 -1.24 0.00 0.00 0.02 0.00 0.00 55.36 54.80 1djw s GLN 728 Cb -0.16 -2.73 0.00 0.00 1.00 0.00 0.00 33.01 31.12 1djw s GLN 728 CO 0.19 -0.23 0.00 0.41 -2.12 0.00 0.00 175.29 173.55 1djw n GLY 729 N -1.80 -0.56 3.68 3.09 0.00 0.11 -4.61 105.19 105.11 1djw n GLY 729 Ca 0.07 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.19 1djw n GLY 729 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djw s TYR 730 N 0.00 3.47 0.21 1.61 2.02 -1.26 -0.71 117.35 122.69 1djw s TYR 730 Ca 0.00 1.23 -0.11 0.00 -0.37 0.00 0.00 57.07 57.82 1djw s TYR 730 Cb 0.00 -2.93 -0.01 0.00 -0.40 0.00 0.00 41.96 38.62 1djw s TYR 730 CO 0.00 -0.12 0.38 1.03 -1.57 0.00 0.00 175.55 175.26 1djw s ARG 731 N 1.67 1.37 -0.08 -0.62 1.81 0.03 -4.98 118.95 118.15 1djw s ARG 731 Ca 0.37 -1.24 0.01 0.00 -1.72 0.00 0.00 55.73 53.15 1djw s ARG 731 Cb -0.17 0.42 -0.03 0.00 -0.45 0.00 0.00 34.95 34.72 1djw s ARG 731 CO 0.15 -0.54 -0.09 -1.01 -0.68 0.00 0.00 175.30 173.13 1djw s HIS 732 N -4.01 2.88 -0.32 -0.53 3.76 -0.99 -0.28 115.29 115.80 1djw s HIS 732 Ca 0.22 -0.11 -0.13 0.00 -0.15 0.00 0.00 55.06 54.89 1djw s HIS 732 Cb 0.01 -1.73 -0.03 0.00 1.11 0.00 0.00 32.58 31.95 1djw s HIS 732 CO 0.06 0.21 0.24 0.08 -0.85 0.00 0.00 174.74 174.48 1djw s VAL 733 N -0.56 5.28 -0.46 -0.90 1.01 0.23 -1.48 120.40 123.53 1djw s VAL 733 Ca 0.08 -0.05 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 1djw s VAL 733 Cb -0.12 -3.67 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1djw s VAL 733 CO 0.02 0.07 0.93 -1.00 0.00 0.00 0.00 175.10 175.11 1djw s HIS 734 N 1.77 2.93 0.34 5.22 3.76 -1.26 -1.30 115.29 126.74 1djw s HIS 734 Ca 0.07 0.41 -0.28 0.00 -0.15 0.00 0.00 55.06 55.12 1djw s HIS 734 Cb -0.17 -3.97 -0.09 0.00 1.11 0.00 0.00 32.58 29.46 1djw s HIS 734 CO 0.11 -1.09 1.16 -0.51 -0.85 0.00 0.00 174.74 173.56 1djw s LEU 735 N 3.76 4.38 0.17 0.89 1.43 -0.82 -4.76 118.68 123.74 1djw s LEU 735 Ca 0.37 2.37 0.09 0.00 -1.03 0.00 0.00 54.13 55.93 1djw s LEU 735 Cb -0.10 -3.80 -0.04 0.00 0.03 0.00 0.00 46.19 42.28 1djw s LEU 735 CO 0.26 -0.42 -0.13 -0.76 0.23 0.00 0.00 176.35 175.53 1djw s LEU 736 N -1.94 2.87 0.94 1.79 1.43 0.14 -1.28 118.68 122.64 1djw s LEU 736 Ca 0.50 -0.59 -0.13 0.00 -1.03 0.00 0.00 54.13 52.88 1djw s LEU 736 Cb -0.33 -1.60 0.16 0.00 0.03 0.00 0.00 46.19 44.45 1djw s LEU 736 CO 0.42 0.12 1.15 -0.94 0.23 0.00 0.00 176.35 177.33 1djw s SER 737 N -2.65 3.21 0.28 2.29 1.04 0.44 -1.52 113.70 116.79 1djw s SER 737 Ca 0.23 0.90 0.22 0.00 0.48 0.00 0.00 55.95 57.78 1djw s SER 737 Cb -0.09 -1.41 1.05 0.00 0.10 0.00 0.00 66.02 65.67 1djw s SER 737 CO 0.14 -2.73 1.67 2.29 0.98 0.00 0.00 173.24 175.58 1djw n LYS 738 N -3.88 0.16 -0.46 4.02 2.85 -1.26 -1.38 118.16 118.22 1djw n LYS 738 Ca 0.08 0.53 0.09 0.00 -1.05 0.00 0.00 58.31 57.96 1djw n LYS 738 Cb 0.59 -1.90 0.31 0.00 -0.65 0.00 0.00 35.03 33.38 1djw n LYS 738 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1djw n ASN 739 N -2.23 3.97 0.00 -5.58 3.02 -1.26 -4.41 115.26 108.77 1djw n ASN 739 Ca 0.00 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.34 1djw n ASN 739 Cb 0.13 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 1djw n ASN 739 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1djw n GLY 740 N 1.29 0.94 3.77 7.41 0.00 -0.48 -5.01 105.19 113.11 1djw n GLY 740 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 1djw n GLY 740 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1djw s ASP 741 N -3.00 6.96 0.11 1.61 1.01 -1.26 -4.73 116.67 117.37 1djw s ASP 741 Ca 0.00 2.32 -0.31 0.00 0.71 0.00 0.00 52.55 55.28 1djw s ASP 741 Cb 0.00 -2.62 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 1djw s ASP 741 CO 0.00 -0.37 1.32 -1.10 0.21 0.00 0.00 175.17 175.23 1djw s GLN 742 N -1.82 4.37 -0.53 8.23 -1.52 -1.26 -0.42 119.66 126.71 1djw s GLN 742 Ca 0.50 1.97 -0.19 0.00 -1.95 0.00 0.00 55.36 55.69 1djw s GLN 742 Cb -0.32 -3.27 0.07 0.00 -0.22 0.00 0.00 33.01 29.27 1djw s GLN 742 CO 0.41 -0.36 0.63 -1.01 -0.25 0.00 0.00 175.29 174.72 1djw s HIS 743 N 0.98 3.05 0.10 0.91 3.76 -0.40 -4.87 115.29 118.81 1djw s HIS 743 Ca 0.62 -0.69 -0.12 0.00 -0.15 0.00 0.00 55.06 54.72 1djw s HIS 743 Cb -0.34 -3.66 0.05 0.00 1.11 0.00 0.00 32.58 29.74 1djw s HIS 743 CO 0.31 -1.10 0.75 -0.35 -0.85 0.00 0.00 174.74 173.50 1djw n PRO 744 N 6.16 -0.16 -0.13 8.40 -0.04 -1.26 -2.69 135.00 145.28 1djw n PRO 744 Ca -0.08 0.74 0.07 0.00 -0.04 0.00 0.00 63.50 64.19 1djw n PRO 744 Cb 0.44 -1.09 0.10 0.00 -0.04 0.00 0.00 33.50 32.91 1djw n PRO 744 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1djw n SER 745 N -4.66 1.90 -4.59 3.54 3.41 -1.26 -4.98 113.62 106.97 1djw n SER 745 Ca 0.03 -2.76 -0.40 0.00 -0.26 0.00 0.00 58.87 55.48 1djw n SER 745 Cb 0.16 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 63.69 1djw n SER 745 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djw s ALA 746 N -2.17 3.54 0.16 7.33 0.00 -1.10 -4.35 121.76 125.17 1djw s ALA 746 Ca 0.23 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 1djw s ALA 746 Cb 0.20 -2.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1djw s ALA 746 CO 0.02 -0.92 0.10 0.95 0.00 0.00 0.00 175.76 175.92 1djw s THR 747 N 2.33 0.06 -0.02 0.00 -4.23 -0.85 -1.94 115.64 111.00 1djw s THR 747 Ca 0.20 -1.89 0.06 0.00 -1.18 0.00 0.00 61.69 58.87 1djw s THR 747 Cb -0.16 -2.18 -0.02 0.00 1.34 0.00 0.00 72.50 71.49 1djw s THR 747 CO 0.11 -0.29 -0.20 -0.76 -0.54 0.00 0.00 174.62 172.94 1djw s LEU 748 N -3.08 2.04 -0.19 4.79 1.43 -0.42 -1.23 118.68 122.02 1djw s LEU 748 Ca 0.28 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.97 1djw s LEU 748 Cb 0.07 -1.02 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 1djw s LEU 748 CO 0.05 0.24 0.01 0.12 0.23 0.00 0.00 176.35 177.01 1djw s PHE 749 N -0.46 3.08 0.23 0.29 5.36 0.37 0.77 117.98 127.62 1djw s PHE 749 Ca 0.07 -0.30 0.00 0.00 -0.96 0.00 0.00 56.93 55.74 1djw s PHE 749 Cb -0.08 -2.07 -0.04 0.00 -0.34 0.00 0.00 43.02 40.49 1djw s PHE 749 CO -0.01 -0.12 0.14 0.14 -1.46 0.00 0.00 175.22 173.91 1djw s VAL 750 N 0.79 0.13 -0.14 3.12 -7.23 0.62 -1.64 120.40 116.04 1djw s VAL 750 Ca 0.01 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1djw s VAL 750 Cb -0.14 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.30 1djw s VAL 750 CO 0.02 0.00 -0.07 -0.75 -0.31 0.00 0.00 175.10 173.99 1djw s LYS 751 N -4.06 1.57 -0.06 4.82 2.20 -0.80 -0.79 119.74 122.63 1djw s LYS 751 Ca 0.39 -0.42 0.02 0.00 -0.36 0.00 0.00 55.97 55.60 1djw s LYS 751 Cb 0.07 -1.84 -0.03 0.00 -1.51 0.00 0.00 37.83 34.51 1djw s LYS 751 CO 0.14 -0.34 -0.09 0.42 -0.36 0.00 0.00 175.35 175.11 1djw s ILE 752 N 1.65 3.48 -0.08 5.43 1.01 0.11 -1.00 121.20 131.80 1djw s ILE 752 Ca 0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 1djw s ILE 752 Cb -0.14 -2.40 0.04 0.00 0.01 0.00 0.00 42.46 39.97 1djw s ILE 752 CO -0.08 0.60 0.16 -0.55 0.00 0.00 0.00 174.94 175.06 1djw s SER 753 N -0.78 0.15 -0.13 3.58 0.15 -0.61 0.09 113.70 116.15 1djw s SER 753 Ca 0.12 0.33 0.01 0.00 0.70 0.00 0.00 55.95 57.11 1djw s SER 753 Cb -0.11 0.24 -0.01 0.00 -1.71 0.00 0.00 66.02 64.44 1djw s SER 753 CO 0.01 -0.18 -0.16 -0.63 1.20 0.00 0.00 173.24 173.48 1djw s ILE 754 N 1.55 2.68 0.05 6.45 1.01 -1.26 -0.62 121.20 131.07 1djw s ILE 754 Ca -0.05 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.82 1djw s ILE 754 Cb -0.12 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.24 1djw s ILE 754 CO -0.06 0.53 0.03 0.00 0.00 0.00 0.00 174.94 175.44 1djw n GLN 755 N 3.75 0.43 0.00 2.79 6.02 -0.12 -4.94 117.38 125.30 1djw n GLN 755 Ca -0.19 -0.47 0.05 0.00 -0.01 0.00 0.00 57.00 56.39 1djw n GLN 755 Cb 0.52 0.33 0.05 0.00 1.02 0.00 0.00 30.24 32.16 1djw n GLN 755 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80