#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1djg s LYS 159 N 0.00 0.77 -0.07 3.52 1.02 -1.26 -4.46 119.74 119.26 1djg s LYS 159 Ca 0.00 0.95 -0.11 0.00 0.02 0.00 0.00 55.97 56.83 1djg s LYS 159 Cb 0.00 0.36 -0.05 0.00 -0.52 0.00 0.00 37.83 37.62 1djg s LYS 159 CO 0.00 -0.10 0.27 -1.64 -0.92 0.00 0.00 175.35 172.97 1djg s MET 160 N 0.46 3.75 0.40 1.68 -1.94 0.19 -4.74 119.30 119.09 1djg s MET 160 Ca -0.01 0.13 0.08 0.00 -1.71 0.00 0.00 55.69 54.18 1djg s MET 160 Cb -0.05 -3.23 -0.05 0.00 2.01 0.00 0.00 34.83 33.51 1djg s MET 160 CO -0.01 0.67 0.14 0.54 -0.01 0.00 0.00 175.02 176.35 1djg s ASN 161 N -0.86 4.36 0.23 3.03 2.20 -1.26 0.27 114.94 122.91 1djg s ASN 161 Ca 0.19 -1.07 -0.17 0.00 -0.94 0.00 0.00 52.86 50.88 1djg s ASN 161 Cb -0.14 -0.50 0.25 0.00 -2.00 0.00 0.00 41.25 38.86 1djg s ASN 161 CO 0.08 -0.47 1.54 0.33 -2.94 0.00 0.00 177.10 175.64 1djg n PHE 162 N -1.17 0.05 0.08 1.54 7.35 -1.26 -0.92 117.46 123.13 1djg n PHE 162 Ca -0.02 1.22 -0.13 0.00 -0.76 0.00 0.00 57.45 57.77 1djg n PHE 162 Cb 0.64 -0.88 -0.06 0.00 0.35 0.00 0.00 39.48 39.53 1djg n PHE 162 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1djg h LYS 163 N 0.00 -0.50 -0.76 -4.13 1.57 -1.97 0.69 116.57 111.47 1djg h LYS 163 Ca 0.35 0.03 0.21 0.00 -1.87 0.00 0.00 60.65 59.37 1djg h LYS 163 Cb 0.60 0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 1djg h LYS 163 CO -0.99 -0.33 0.54 0.93 -0.57 0.00 0.00 179.45 179.03 1djg h GLU 164 N -0.52 0.10 0.02 3.15 5.08 -1.42 0.11 114.58 121.10 1djg h GLU 164 Ca 0.05 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1djg h GLU 164 Cb 0.59 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1djg h GLU 164 CO -0.25 0.06 -0.01 -0.07 -1.00 0.00 0.00 179.01 177.74 1djg h LEU 165 N 0.10 -0.02 -2.66 1.33 -0.00 0.97 0.26 115.31 115.28 1djg h LEU 165 Ca 0.37 -0.69 0.01 0.00 -0.00 0.00 0.00 57.88 57.56 1djg h LEU 165 Cb 1.32 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.99 1djg h LEU 165 CO -0.04 0.80 0.08 0.11 -0.00 0.00 0.00 178.44 179.39 1djg h LYS 166 N -0.96 0.00 0.00 1.13 1.79 0.81 0.13 116.57 119.47 1djg h LYS 166 Ca -0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 1djg h LYS 166 Cb 0.71 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 1djg h LYS 166 CO 0.00 0.00 -0.47 0.22 -1.08 0.00 0.00 179.45 178.12 1djg h ASP 167 N 0.00 0.00 -0.63 0.86 1.82 -0.77 -3.32 116.42 114.38 1djg h ASP 167 Ca 0.01 -0.74 0.11 0.00 -0.39 0.00 0.00 57.03 56.02 1djg h ASP 167 Cb 0.17 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.14 1djg h ASP 167 CO -0.00 1.15 0.42 0.15 -1.61 0.00 0.00 179.24 179.35 1djg h PHE 168 N -1.00 0.43 0.02 0.28 3.04 0.15 -2.76 116.94 117.10 1djg h PHE 168 Ca -0.13 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.83 1djg h PHE 168 Cb 1.05 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.42 1djg h PHE 168 CO 0.19 0.20 -0.01 -0.07 -2.02 0.00 0.00 178.31 176.60 1djg h LEU 169 N 0.40 -0.02 -1.75 0.59 3.38 -0.98 -2.81 115.31 114.12 1djg h LEU 169 Ca 0.29 0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.67 1djg h LEU 169 Cb 0.61 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.28 1djg h LEU 169 CO -0.08 -0.01 0.95 0.11 0.09 0.00 0.00 178.44 179.49 1djg h LYS 170 N -0.02 0.08 -0.90 1.13 1.57 -1.64 0.67 116.57 117.47 1djg h LYS 170 Ca -0.00 -0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.95 1djg h LYS 170 Cb 0.02 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 1djg h LYS 170 CO 0.00 0.06 0.58 1.49 -0.57 0.00 0.00 179.45 181.01 1djg h GLU 171 N 0.09 0.53 -0.88 3.15 4.81 -1.22 0.10 114.58 121.16 1djg h GLU 171 Ca 0.71 -0.03 -0.56 0.00 -0.13 0.00 0.00 59.36 59.35 1djg h GLU 171 Cb 2.54 -0.12 -0.29 0.00 0.63 0.00 0.00 28.75 31.50 1djg h GLU 171 CO -0.15 0.35 0.43 1.28 -0.73 0.00 0.00 179.01 180.18 1djg n LEU 172 N -4.55 6.60 -1.70 1.64 4.77 0.23 -4.90 117.00 119.08 1djg n LEU 172 Ca 0.19 -4.17 0.00 0.00 -0.03 0.00 0.00 56.01 52.00 1djg n LEU 172 Cb 0.59 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1djg n LEU 172 CO 0.29 1.47 0.00 -0.46 -1.33 0.00 0.00 177.39 177.36 1djg n ASN 173 N -0.96 -0.52 -4.48 -1.43 6.94 0.02 -4.82 115.26 110.01 1djg n ASN 173 Ca 0.55 0.26 -0.43 0.00 -0.02 0.00 0.00 54.58 54.94 1djg n ASN 173 Cb 0.96 -0.71 -0.02 0.00 -2.36 0.00 0.00 39.78 37.66 1djg n ASN 173 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1djg s ILE 174 N -1.41 4.67 -0.13 1.53 1.01 -1.20 -4.89 121.20 120.78 1djg s ILE 174 Ca 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 60.65 58.83 1djg s ILE 174 Cb 0.00 -4.88 -0.03 0.00 0.01 0.00 0.00 42.46 37.56 1djg s ILE 174 CO 0.00 -1.63 1.13 0.00 0.00 0.00 0.00 174.94 174.44 1djg n GLN 175 N 6.72 0.01 -0.26 2.79 1.13 -1.26 -3.98 117.38 122.53 1djg n GLN 175 Ca 0.30 -0.20 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 1djg n GLN 175 Cb 0.47 -1.34 0.00 0.00 0.11 0.00 0.00 30.24 29.48 1djg n GLN 175 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1djg n VAL 176 N 5.03 0.00 0.00 5.09 0.31 -1.26 -4.78 118.33 122.72 1djg n VAL 176 Ca 0.05 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 1djg n VAL 176 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 1djg n VAL 176 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1djg n ASP 177 N 1.10 0.00 0.00 4.52 9.92 -1.26 -4.91 116.55 125.92 1djg n ASP 177 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1djg n ASP 177 Cb 0.12 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.60 1djg n ASP 177 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1djg n ASP 178 N 0.00 0.40 -1.79 -2.24 2.03 -1.26 -4.88 116.55 108.81 1djg n ASP 178 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 1djg n ASP 178 Cb 0.00 0.00 0.36 0.00 -0.72 0.00 0.00 41.12 40.76 1djg n ASP 178 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1djg n GLY 179 N 0.00 3.37 0.12 0.27 0.00 -1.26 -3.69 105.19 104.00 1djg n GLY 179 Ca 0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 1djg n GLY 179 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1djg n TYR 180 N 0.21 1.00 -0.01 1.61 4.19 -1.26 -3.20 117.16 119.69 1djg n TYR 180 Ca 0.31 0.35 0.19 0.00 3.31 0.00 0.00 57.90 62.06 1djg n TYR 180 Cb 1.22 -1.11 0.67 0.00 0.49 0.00 0.00 39.34 40.61 1djg n TYR 180 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1djg h ALA 181 N -0.35 2.44 0.18 2.98 0.00 -1.93 0.20 119.26 122.78 1djg h ALA 181 Ca -0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1djg h ALA 181 Cb 1.56 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1djg h ALA 181 CO -0.14 -0.59 -0.09 -0.09 0.00 0.00 0.00 179.25 178.34 1djg h ARG 182 N 0.05 -0.24 -0.23 0.00 1.12 -1.76 -0.64 114.38 112.68 1djg h ARG 182 Ca 0.26 0.02 0.06 0.00 -1.11 0.00 0.00 59.98 59.20 1djg h ARG 182 Cb 0.96 0.05 -0.06 0.00 -0.01 0.00 0.00 29.97 30.91 1djg h ARG 182 CO -0.02 0.12 -0.20 -0.22 -3.11 0.00 0.00 179.97 176.55 1djg h LYS 183 N -0.65 -0.19 -0.85 0.20 3.64 -1.02 0.27 116.57 117.97 1djg h LYS 183 Ca -0.03 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1djg h LYS 183 Cb 0.47 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1djg h LYS 183 CO 0.04 -0.13 0.48 0.82 -2.27 0.00 0.00 179.45 178.39 1djg h ILE 184 N -0.20 1.25 0.27 2.00 1.08 -0.71 -0.70 117.51 120.50 1djg h ILE 184 Ca 0.13 -0.60 -0.01 0.00 -0.39 0.00 0.00 64.86 63.99 1djg h ILE 184 Cb 0.40 0.08 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 1djg h ILE 184 CO -0.35 0.27 -0.13 0.15 -0.69 0.00 0.00 178.15 177.41 1djg h PHE 185 N 1.19 -0.33 -0.30 1.37 3.57 -0.08 -2.59 116.94 119.78 1djg h PHE 185 Ca 0.30 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.86 1djg h PHE 185 Cb 0.01 0.11 -0.08 0.00 2.79 0.00 0.00 35.95 38.78 1djg h PHE 185 CO 0.01 -0.13 -0.39 0.00 -2.23 0.00 0.00 178.31 175.57 1djg h ARG 186 N -0.46 -0.35 -1.03 1.11 -0.00 -0.10 -0.56 114.38 112.99 1djg h ARG 186 Ca -0.04 0.02 0.29 0.00 -0.50 0.00 0.00 59.98 59.76 1djg h ARG 186 Cb 0.35 0.08 -0.04 0.00 0.00 0.00 0.00 29.97 30.35 1djg h ARG 186 CO 0.06 -0.23 0.73 0.93 0.00 0.00 0.00 179.97 181.46 1djg h GLU 187 N -0.36 0.03 -0.01 0.04 5.08 -0.97 0.24 114.58 118.63 1djg h GLU 187 Ca 0.12 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1djg h GLU 187 Cb 0.58 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1djg h GLU 187 CO -0.49 0.02 -0.45 0.00 -1.00 0.00 0.00 179.01 177.09 1djg s ASP 189 N -2.69 6.52 0.04 0.00 2.15 0.83 -4.75 116.67 118.78 1djg s ASP 189 Ca 0.18 -1.81 -0.28 0.00 0.43 0.00 0.00 52.55 51.07 1djg s ASP 189 Cb 0.18 -2.40 -0.17 0.00 -0.30 0.00 0.00 42.92 40.23 1djg s ASP 189 CO 0.62 -1.15 1.46 0.45 -0.17 0.00 0.00 175.17 176.38 1djg h HIS 190 N 9.01 -0.54 -1.31 -5.34 3.86 -1.84 -3.15 115.15 115.84 1djg h HIS 190 Ca 0.06 -0.01 0.41 0.00 -1.16 0.00 0.00 60.37 59.67 1djg h HIS 190 Cb 1.03 0.18 -0.12 0.00 1.06 0.00 0.00 27.41 29.57 1djg h HIS 190 CO 1.12 -0.26 0.85 0.66 0.86 0.00 0.00 177.93 181.16 1djg h SER 191 N -0.74 0.25 0.00 2.45 4.64 -1.91 -3.45 113.55 114.79 1djg h SER 191 Ca -0.06 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1djg h SER 191 Cb 0.52 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1djg h SER 191 CO 0.10 -0.12 0.00 0.00 -0.87 0.00 0.00 176.83 175.93 1djg n GLN 192 N -4.62 0.00 -0.50 4.77 1.13 -1.19 -4.94 117.38 112.04 1djg n GLN 192 Ca 0.35 0.34 0.10 0.00 -1.94 0.00 0.00 57.00 55.85 1djg n GLN 192 Cb 1.37 -3.61 0.33 0.00 0.11 0.00 0.00 30.24 28.43 1djg n GLN 192 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1djg n THR 193 N -2.98 1.50 -2.52 5.09 -2.24 -1.26 -4.95 114.28 106.92 1djg n THR 193 Ca 0.00 -1.14 -0.20 0.00 -2.27 0.00 0.00 64.05 60.45 1djg n THR 193 Cb 0.00 0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1djg n THR 193 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1djg n ASP 194 N 1.22 -5.56 -3.97 3.42 9.92 -1.26 -4.98 116.55 115.34 1djg n ASP 194 Ca 0.24 -0.03 -0.24 0.00 -0.53 0.00 0.00 54.79 54.23 1djg n ASP 194 Cb 0.77 -4.62 -0.17 0.00 -0.64 0.00 0.00 41.12 36.46 1djg n ASP 194 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1djg s SER 195 N -2.16 1.74 -0.33 -2.24 0.01 -1.26 -4.38 113.70 105.09 1djg s SER 195 Ca 0.05 -0.27 -0.17 0.00 1.31 0.00 0.00 55.95 56.87 1djg s SER 195 Cb -0.02 -0.77 -0.01 0.00 0.21 0.00 0.00 66.02 65.42 1djg s SER 195 CO 0.07 -0.02 0.46 -0.76 0.41 0.00 0.00 173.24 173.40 1djg s LEU 196 N 0.96 4.29 0.60 2.44 1.43 0.75 -4.85 118.68 124.30 1djg s LEU 196 Ca -0.09 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1djg s LEU 196 Cb -0.15 -2.52 0.04 0.00 0.03 0.00 0.00 46.19 43.60 1djg s LEU 196 CO 0.00 -0.39 0.87 -1.61 0.23 0.00 0.00 176.35 175.45 1djg s GLU 197 N 2.26 2.47 0.00 1.70 8.01 -1.26 0.57 118.70 132.45 1djg s GLU 197 Ca 0.17 -0.51 0.00 0.00 0.01 0.00 0.00 54.97 54.64 1djg s GLU 197 Cb -0.16 -2.36 0.00 0.00 -4.31 0.00 0.00 34.13 27.31 1djg s GLU 197 CO 0.12 -0.88 0.17 -3.47 0.01 0.00 0.00 175.26 171.21 1djg n ASP 198 N -2.56 0.00 0.31 -0.19 -0.08 -1.26 -1.47 116.55 111.30 1djg n ASP 198 Ca 0.07 0.17 -0.12 0.00 -1.51 0.00 0.00 54.79 53.40 1djg n ASP 198 Cb 0.60 -0.09 -0.06 0.00 2.34 0.00 0.00 41.12 43.91 1djg n ASP 198 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1djg h GLU 199 N 0.00 -0.76 -0.62 -0.67 5.08 -1.99 -3.14 114.58 112.48 1djg h GLU 199 Ca 0.00 0.05 0.23 0.00 -1.00 0.00 0.00 59.36 58.64 1djg h GLU 199 Cb 0.00 0.17 -0.11 0.00 0.50 0.00 0.00 28.75 29.31 1djg h GLU 199 CO 0.00 -0.51 0.22 0.39 -1.00 0.00 0.00 179.01 178.11 1djg n GLU 200 N -4.28 -0.04 -0.31 2.33 1.02 -0.85 0.19 120.64 118.70 1djg n GLU 200 Ca -0.10 0.88 -0.04 0.00 -0.02 0.00 0.00 57.16 57.88 1djg n GLU 200 Cb 0.31 -1.51 0.08 0.00 -0.02 0.00 0.00 31.44 30.29 1djg n GLU 200 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1djg h ILE 201 N 0.00 1.23 0.55 -3.67 2.04 -1.20 0.21 117.51 116.66 1djg h ILE 201 Ca 0.47 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1djg h ILE 201 Cb 1.17 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1djg h ILE 201 CO -0.52 0.23 -0.26 -0.33 0.00 0.00 0.00 178.15 177.27 1djg h GLU 202 N 1.14 -0.71 -1.25 2.37 5.08 0.20 -1.99 114.58 119.42 1djg h GLU 202 Ca 0.30 0.05 0.36 0.00 -1.00 0.00 0.00 59.36 59.07 1djg h GLU 202 Cb -0.07 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 1djg h GLU 202 CO -0.06 -0.47 1.03 1.79 -1.00 0.00 0.00 179.01 180.29 1djg h THR 203 N -0.93 0.21 0.48 1.13 1.35 -1.23 0.33 112.91 114.25 1djg h THR 203 Ca -0.08 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 1djg h THR 203 Cb 0.57 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1djg h THR 203 CO 0.12 0.00 -0.23 0.15 -0.25 0.00 0.00 175.52 175.32 1djg h PHE 204 N 0.00 -0.59 -0.75 4.73 3.57 -0.37 -2.70 116.94 120.83 1djg h PHE 204 Ca 0.59 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.25 1djg h PHE 204 Cb 2.64 0.20 -0.13 0.00 2.79 0.00 0.00 35.95 41.45 1djg h PHE 204 CO 0.00 -0.33 0.07 -0.92 -2.23 0.00 0.00 178.31 174.90 1djg h TYR 205 N -1.13 0.08 -0.56 0.41 3.20 0.39 -0.47 116.97 118.89 1djg h TYR 205 Ca -0.07 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.78 1djg h TYR 205 Cb 0.53 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1djg h TYR 205 CO 0.01 -0.19 0.08 0.87 -1.64 0.00 0.00 178.16 177.28 1djg h LYS 206 N 0.15 0.95 -0.72 1.82 1.79 -1.42 0.32 116.57 119.46 1djg h LYS 206 Ca 0.42 -0.26 0.03 0.00 -2.18 0.00 0.00 60.65 58.65 1djg h LYS 206 Cb 0.75 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.26 1djg h LYS 206 CO -0.62 0.91 0.47 0.52 -1.08 0.00 0.00 179.45 179.66 1djg h MET 207 N 0.84 0.88 -0.04 3.15 2.86 -0.82 -1.80 114.93 119.99 1djg h MET 207 Ca 0.17 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1djg h MET 207 Cb 0.44 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.90 1djg h MET 207 CO 0.01 0.58 -0.04 1.25 1.06 0.00 0.00 176.91 179.77 1djg h LEU 208 N 0.90 0.11 -3.90 1.22 5.85 -0.51 -3.35 115.31 115.63 1djg h LEU 208 Ca 0.28 -0.48 -0.62 0.00 0.84 0.00 0.00 57.88 57.90 1djg h LEU 208 Cb 0.00 -0.03 -0.34 0.00 0.37 0.00 0.00 40.66 40.67 1djg h LEU 208 CO -0.07 0.56 0.26 0.35 -0.34 0.00 0.00 178.44 179.20 1djg n THR 209 N -4.77 3.22 -4.42 1.05 -2.24 0.11 -5.00 114.28 102.23 1djg n THR 209 Ca -0.08 -3.36 -0.32 0.00 -2.27 0.00 0.00 64.05 58.02 1djg n THR 209 Cb 0.28 -1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 67.29 1djg n THR 209 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1djg s GLN 210 N -3.73 2.62 -0.46 -0.78 -2.07 -0.71 -4.92 119.66 109.61 1djg s GLN 210 Ca 0.60 -0.68 0.03 0.00 -1.82 0.00 0.00 55.36 53.49 1djg s GLN 210 Cb 0.47 -2.55 0.12 0.00 -1.09 0.00 0.00 33.01 29.96 1djg s GLN 210 CO 0.01 0.61 0.20 1.03 -1.32 0.00 0.00 175.29 175.83 1djg s ARG 211 N -1.41 1.86 0.50 9.60 0.52 -1.26 -4.93 118.95 123.83 1djg s ARG 211 Ca 0.17 -2.35 0.22 0.00 -0.52 0.00 0.00 55.73 53.26 1djg s ARG 211 Cb -0.11 -3.32 1.30 0.00 0.52 0.00 0.00 34.95 33.34 1djg s ARG 211 CO 0.08 -1.06 1.98 0.00 0.02 0.00 0.00 175.30 176.32 1djg h ALA 212 N 6.95 2.39 -0.99 2.13 0.00 -1.98 -0.03 119.26 127.73 1djg h ALA 212 Ca -0.06 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1djg h ALA 212 Cb 0.94 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1djg h ALA 212 CO 0.64 -0.54 0.65 1.05 0.00 0.00 0.00 179.25 181.05 1djg h GLU 213 N 0.11 1.27 -0.10 0.00 9.09 -1.99 0.51 114.58 123.48 1djg h GLU 213 Ca 0.27 -0.08 -0.14 0.00 0.05 0.00 0.00 59.36 59.47 1djg h GLU 213 Cb 0.93 -0.29 0.01 0.00 -1.65 0.00 0.00 28.75 27.75 1djg h GLU 213 CO -0.03 0.84 -0.47 0.82 0.05 0.00 0.00 179.01 180.22 1djg h ILE 214 N 1.31 1.38 0.14 -1.06 1.08 -1.48 -0.90 117.51 117.98 1djg h ILE 214 Ca 0.37 -1.81 0.02 0.00 -0.39 0.00 0.00 64.86 63.05 1djg h ILE 214 Cb -0.10 2.22 -0.04 0.00 -3.07 0.00 0.00 36.82 35.83 1djg h ILE 214 CO -0.09 0.54 -0.39 0.44 -0.69 0.00 0.00 178.15 177.95 1djg h ASP 215 N 0.07 -1.14 -0.10 1.72 3.32 -0.39 0.15 116.42 120.05 1djg h ASP 215 Ca -0.03 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.17 1djg h ASP 215 Cb 1.12 0.43 -0.02 0.00 0.22 0.00 0.00 39.33 41.07 1djg h ASP 215 CO 0.10 -0.47 -0.05 -0.09 -1.72 0.00 0.00 179.24 177.01 1djg h ARG 216 N -0.63 -0.03 -0.83 3.56 2.43 -0.03 -1.15 114.38 117.70 1djg h ARG 216 Ca 0.02 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.33 1djg h ARG 216 Cb 0.66 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 30.13 1djg h ARG 216 CO -0.22 -0.02 0.43 0.00 -1.51 0.00 0.00 179.97 178.65 1djg h ALA 217 N 1.06 1.23 0.37 2.80 0.00 -0.57 -0.36 119.26 123.79 1djg h ALA 217 Ca 0.06 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1djg h ALA 217 Cb 0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1djg h ALA 217 CO -0.12 -0.06 -0.18 0.35 0.00 0.00 0.00 179.25 179.24 1djg h PHE 218 N 0.64 -0.47 -0.90 0.00 3.57 -0.14 -2.68 116.94 116.97 1djg h PHE 218 Ca 0.44 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 62.00 1djg h PHE 218 Cb 0.58 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 39.40 1djg h PHE 218 CO -0.09 -0.16 0.56 1.05 -2.23 0.00 0.00 178.31 177.44 1djg h GLU 219 N -0.76 0.97 0.00 1.11 4.11 -0.85 0.36 114.58 119.52 1djg h GLU 219 Ca -0.05 -0.06 -0.02 0.00 0.07 0.00 0.00 59.36 59.30 1djg h GLU 219 Cb 0.51 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 1djg h GLU 219 CO 0.08 0.64 -0.11 0.93 0.07 0.00 0.00 179.01 180.63 1djg h GLU 220 N 1.00 0.00 0.07 1.06 5.08 -1.07 0.53 114.58 121.25 1djg h GLU 220 Ca 0.40 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1djg h GLU 220 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1djg h GLU 220 CO -0.19 0.11 -0.03 0.00 -1.00 0.00 0.00 179.01 177.90 1djg h ALA 221 N 1.89 -0.09 0.00 3.43 0.00 -0.19 -3.36 119.26 120.93 1djg h ALA 221 Ca -0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1djg h ALA 221 Cb 0.22 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1djg h ALA 221 CO 0.01 -0.13 -1.12 0.00 0.00 0.00 0.00 179.25 178.01 1djg h ALA 222 N -0.31 0.64 -0.16 0.00 0.00 -0.38 -3.47 119.26 115.58 1djg h ALA 222 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1djg h ALA 222 Cb 0.58 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1djg h ALA 222 CO 0.02 0.89 0.00 0.41 0.00 0.00 0.00 179.25 180.56 1djg n GLY 223 N 1.35 1.28 0.49 0.00 0.00 0.18 -3.76 105.19 104.73 1djg n GLY 223 Ca -0.06 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 1djg n GLY 223 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1djg h SER 224 N 0.00 -1.17 -2.65 1.61 4.64 -1.96 -3.45 113.55 110.58 1djg h SER 224 Ca 0.00 0.07 -0.60 0.00 -0.47 0.00 0.00 61.79 60.79 1djg h SER 224 Cb 0.00 0.34 0.14 0.00 -0.31 0.00 0.00 62.40 62.58 1djg h SER 224 CO 0.00 -0.70 -0.22 0.00 -0.87 0.00 0.00 176.83 175.04 1djg n ALA 225 N -2.70 -0.93 1.10 5.18 0.00 -1.25 -4.87 120.51 117.04 1djg n ALA 225 Ca -0.14 0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.55 1djg n ALA 225 Cb 0.47 -1.88 0.32 0.00 0.00 0.00 0.00 19.45 18.36 1djg n ALA 225 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1djg n GLU 226 N 0.33 1.78 -4.11 0.00 1.02 -1.26 -4.80 120.64 113.60 1djg n GLU 226 Ca 0.11 -1.19 -0.12 0.00 -0.02 0.00 0.00 57.16 55.95 1djg n GLU 226 Cb 0.40 -1.37 -0.11 0.00 -0.02 0.00 0.00 31.44 30.34 1djg n GLU 226 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1djg s THR 227 N -1.71 0.60 -0.12 2.62 -4.23 -1.26 -4.49 115.64 107.05 1djg s THR 227 Ca 0.31 -1.47 -0.15 0.00 -1.18 0.00 0.00 61.69 59.19 1djg s THR 227 Cb 0.16 -1.10 -0.05 0.00 1.34 0.00 0.00 72.50 72.86 1djg s THR 227 CO 0.24 -0.61 0.36 -0.76 -0.54 0.00 0.00 174.62 173.30 1djg s LEU 228 N -2.26 4.30 0.34 4.79 1.43 0.12 -4.82 118.68 122.58 1djg s LEU 228 Ca -0.00 0.67 0.05 0.00 -1.03 0.00 0.00 54.13 53.81 1djg s LEU 228 Cb -0.03 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 1djg s LEU 228 CO -0.02 0.12 0.50 -0.94 0.23 0.00 0.00 176.35 176.24 1djg s SER 229 N 0.19 6.04 0.15 2.29 1.04 -1.26 0.64 113.70 122.78 1djg s SER 229 Ca 0.20 0.01 -0.23 0.00 0.48 0.00 0.00 55.95 56.41 1djg s SER 229 Cb -0.14 -1.48 0.03 0.00 0.10 0.00 0.00 66.02 64.53 1djg s SER 229 CO 0.07 -0.41 1.62 0.58 0.98 0.00 0.00 173.24 176.09 1djg h VAL 230 N 0.84 0.35 -0.36 5.02 2.07 -1.93 0.24 116.25 122.48 1djg h VAL 230 Ca -0.47 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1djg h VAL 230 Cb 1.25 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1djg h VAL 230 CO 0.56 0.00 0.24 1.05 0.02 0.00 0.00 177.57 179.44 1djg h GLU 231 N -0.26 0.45 -0.23 1.57 -0.00 -1.95 0.44 114.58 114.59 1djg h GLU 231 Ca 0.14 -0.03 -0.17 0.00 -0.00 0.00 0.00 59.36 59.30 1djg h GLU 231 Cb 0.48 -0.10 -0.00 0.00 -0.00 0.00 0.00 28.75 29.13 1djg h GLU 231 CO -0.41 0.30 -0.56 0.00 -0.00 0.00 0.00 179.01 178.34 1djg h ARG 232 N 0.46 0.70 -0.46 1.06 3.08 -1.45 -1.47 114.38 116.31 1djg h ARG 232 Ca 0.13 -0.45 -0.09 0.00 0.07 0.00 0.00 59.98 59.64 1djg h ARG 232 Cb -0.02 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1djg h ARG 232 CO -0.03 1.07 -0.08 1.25 -1.07 0.00 0.00 179.97 181.11 1djg h LEU 233 N 0.54 0.86 -0.78 3.04 5.85 0.10 -1.20 115.31 123.72 1djg h LEU 233 Ca 0.01 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 1djg h LEU 233 Cb 1.13 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 1djg h LEU 233 CO 0.11 1.00 0.30 0.58 -0.34 0.00 0.00 178.44 180.09 1djg h VAL 234 N 0.70 1.26 -0.71 1.05 2.07 -0.14 0.16 116.25 120.64 1djg h VAL 234 Ca 0.12 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 1djg h VAL 234 Cb 0.61 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1djg h VAL 234 CO 0.04 0.34 0.26 0.74 0.02 0.00 0.00 177.57 178.97 1djg h THR 235 N 1.14 1.25 0.16 2.57 2.02 -0.70 -1.92 112.91 117.43 1djg h THR 235 Ca 0.26 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 1djg h THR 235 Cb 0.24 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1djg h THR 235 CO -0.02 0.32 -0.08 0.15 0.37 0.00 0.00 175.52 176.27 1djg h PHE 236 N 1.03 -0.20 -0.80 3.16 3.57 -0.47 0.36 116.94 123.60 1djg h PHE 236 Ca 0.24 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.91 1djg h PHE 236 Cb 0.23 0.07 -0.12 0.00 2.79 0.00 0.00 35.95 38.92 1djg h PHE 236 CO 0.02 0.03 0.23 -0.07 -2.23 0.00 0.00 178.31 176.29 1djg h LEU 237 N -0.40 0.08 0.11 0.59 3.38 -0.40 0.46 115.31 119.13 1djg h LEU 237 Ca -0.02 0.16 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 1djg h LEU 237 Cb 0.31 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1djg h LEU 237 CO 0.04 -0.05 -1.12 1.56 0.09 0.00 0.00 178.44 178.96 1djg h GLN 238 N 0.29 0.23 -0.06 1.13 4.20 -1.22 0.92 115.11 120.59 1djg h GLN 238 Ca 0.47 -0.39 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 1djg h GLN 238 Cb 0.84 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1djg h GLN 238 CO -0.54 1.19 -0.16 1.25 -0.67 0.00 0.00 178.83 179.90 1djg h HIS 239 N -0.42 0.28 0.00 2.96 2.76 0.02 -2.91 115.15 117.85 1djg h HIS 239 Ca -0.24 -0.11 -0.09 0.00 -2.20 0.00 0.00 60.37 57.73 1djg h HIS 239 Cb 1.64 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 30.54 1djg h HIS 239 CO 0.16 0.77 -0.86 1.04 -1.30 0.00 0.00 177.93 177.73 1djg n GLN 240 N -4.60 0.50 0.00 5.26 1.13 0.15 -4.30 117.38 115.52 1djg n GLN 240 Ca -0.08 0.52 0.11 0.00 -1.94 0.00 0.00 57.00 55.62 1djg n GLN 240 Cb 0.39 -1.69 0.62 0.00 0.11 0.00 0.00 30.24 29.66 1djg n GLN 240 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1djg n GLN 241 N -4.54 0.49 -3.94 -1.09 1.13 -0.49 -3.56 117.38 105.38 1djg n GLN 241 Ca -0.18 0.05 -0.31 0.00 -1.94 0.00 0.00 57.00 54.62 1djg n GLN 241 Cb 0.44 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 29.23 1djg n GLN 241 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1djg n ARG 242 N -1.17 -1.54 -2.41 -1.09 5.12 0.10 -4.56 116.66 111.12 1djg n ARG 242 Ca 0.13 0.13 -0.41 0.00 -1.93 0.00 0.00 57.85 55.78 1djg n ARG 242 Cb 0.14 -4.70 -0.04 0.00 -1.16 0.00 0.00 32.46 26.70 1djg n ARG 242 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1djg s GLU 243 N -6.59 4.54 0.29 5.56 0.41 0.06 -4.93 118.70 118.04 1djg s GLU 243 Ca 0.60 1.86 0.21 0.00 -0.41 0.00 0.00 54.97 57.22 1djg s GLU 243 Cb -0.35 -3.22 0.12 0.00 -1.78 0.00 0.00 34.13 28.91 1djg s GLU 243 CO 0.73 0.03 1.31 0.93 -0.49 0.00 0.00 175.26 177.76 1djg h GLU 244 N 4.62 0.00 -0.69 1.61 5.08 -1.90 -3.16 114.58 120.15 1djg h GLU 244 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1djg h GLU 244 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1djg h GLU 244 CO 0.71 0.13 0.00 0.39 -1.00 0.00 0.00 179.01 179.24 1djg n GLU 245 N -2.97 2.96 -1.66 2.33 1.02 -1.26 -4.99 120.64 116.07 1djg n GLU 245 Ca 0.01 -2.68 -0.51 0.00 -0.02 0.00 0.00 57.16 53.96 1djg n GLU 245 Cb 0.61 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 30.36 1djg n GLU 245 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1djg n ALA 246 N 1.46 0.29 0.00 0.62 0.00 -1.19 -4.56 120.51 117.14 1djg n ALA 246 Ca 0.24 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.09 1djg n ALA 246 Cb 0.67 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.83 1djg n ALA 246 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1djg n GLY 247 N 3.63 0.44 0.30 0.00 0.00 -1.26 -4.99 105.19 103.31 1djg n GLY 247 Ca 0.21 -0.91 0.10 0.00 0.00 0.00 0.00 46.02 45.41 1djg n GLY 247 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1djg h PRO 248 N 0.00 0.13 -0.35 1.61 0.11 -1.92 0.71 132.00 132.29 1djg h PRO 248 Ca 0.00 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.16 1djg h PRO 248 Cb 0.00 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 31.00 1djg h PRO 248 CO 0.00 0.08 -0.44 0.00 -0.21 0.00 0.00 178.00 177.44 1djg h ALA 249 N 1.78 -0.49 -0.07 -0.75 0.00 -1.95 1.17 119.26 118.95 1djg h ALA 249 Ca 0.50 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.44 1djg h ALA 249 Cb 0.95 0.89 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1djg h ALA 249 CO -0.70 -0.89 0.01 1.25 0.00 0.00 0.00 179.25 178.92 1djg h LEU 250 N -0.37 0.12 -1.32 0.00 5.85 -1.22 -1.22 115.31 117.15 1djg h LEU 250 Ca 0.12 -0.25 0.12 0.00 0.84 0.00 0.00 57.88 58.71 1djg h LEU 250 Cb 0.59 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.53 1djg h LEU 250 CO -0.54 0.34 0.55 0.00 -0.34 0.00 0.00 178.44 178.45 1djg h ALA 251 N 0.78 1.80 0.20 1.25 0.00 -0.13 -0.07 119.26 123.10 1djg h ALA 251 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1djg h ALA 251 Cb 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1djg h ALA 251 CO 0.00 0.00 -0.10 -0.07 0.00 0.00 0.00 179.25 179.09 1djg h LEU 252 N 0.71 -0.23 -1.31 0.00 3.38 0.17 -1.95 115.31 116.08 1djg h LEU 252 Ca 0.40 -0.26 0.05 0.00 0.09 0.00 0.00 57.88 58.17 1djg h LEU 252 Cb 0.58 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1djg h LEU 252 CO -0.17 0.16 0.50 0.77 0.09 0.00 0.00 178.44 179.79 1djg h SER 253 N -0.67 0.75 -0.43 -0.43 4.64 -0.62 0.70 113.55 117.48 1djg h SER 253 Ca -0.03 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1djg h SER 253 Cb 0.47 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 1djg h SER 253 CO 0.05 0.50 0.28 -0.07 -0.87 0.00 0.00 176.83 176.71 1djg h LEU 254 N 0.86 0.50 -0.06 5.97 3.38 -0.95 0.31 115.31 125.33 1djg h LEU 254 Ca 0.31 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 1djg h LEU 254 Cb 0.15 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1djg h LEU 254 CO -0.10 0.38 0.01 0.40 0.09 0.00 0.00 178.44 179.23 1djg h ILE 255 N 0.58 1.19 -0.06 1.22 2.04 -0.19 0.19 117.51 122.48 1djg h ILE 255 Ca 0.16 -0.58 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1djg h ILE 255 Cb -0.04 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1djg h ILE 255 CO -0.03 0.16 -0.07 -0.08 0.00 0.00 0.00 178.15 178.13 1djg h GLU 256 N -0.12 -0.09 -0.23 2.37 4.57 -0.75 0.26 114.58 120.58 1djg h GLU 256 Ca 0.02 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1djg h GLU 256 Cb 0.24 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1djg h GLU 256 CO 0.00 -0.06 0.12 -0.09 -1.18 0.00 0.00 179.01 177.80 1djg h ARG 257 N -0.10 0.32 0.00 1.92 2.43 -0.32 -3.37 114.38 115.27 1djg h ARG 257 Ca 0.05 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1djg h ARG 257 Cb 0.17 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1djg h ARG 257 CO -0.12 0.32 -0.93 0.66 -1.51 0.00 0.00 179.97 178.39 1djg n TYR 258 N -4.85 0.00 -2.31 2.20 4.01 0.67 -4.98 117.16 111.88 1djg n TYR 258 Ca -0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.28 1djg n TYR 258 Cb 0.09 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 1djg n TYR 258 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1djg s GLU 259 N -2.46 4.12 0.15 -0.72 2.56 0.89 -4.51 118.70 118.73 1djg s GLU 259 Ca 0.02 1.69 -0.00 0.00 0.00 0.00 0.00 54.97 56.68 1djg s GLU 259 Cb 0.10 -3.85 -0.03 0.00 2.00 0.00 0.00 34.13 32.34 1djg s GLU 259 CO 0.55 -0.87 1.36 -1.00 -0.56 0.00 0.00 175.26 174.74 1djg h PRO 260 N 8.90 0.28 -6.09 4.30 0.13 -1.91 -3.43 132.00 134.18 1djg h PRO 260 Ca -0.29 -0.30 -0.51 0.00 -0.87 0.00 0.00 66.00 64.03 1djg h PRO 260 Cb 1.12 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1djg h PRO 260 CO 0.98 1.00 1.28 0.45 -0.23 0.00 0.00 178.00 181.48 1djg s SER 261 N -6.98 5.52 0.31 1.44 0.15 -1.26 -4.83 113.70 108.05 1djg s SER 261 Ca -0.04 0.25 0.19 0.00 0.70 0.00 0.00 55.95 57.05 1djg s SER 261 Cb 0.10 -2.54 1.02 0.00 -1.71 0.00 0.00 66.02 62.89 1djg s SER 261 CO 0.84 -2.20 1.55 1.21 1.20 0.00 0.00 173.24 175.84 1djg n GLU 262 N 9.14 0.12 -0.05 5.44 2.13 -1.26 0.65 120.64 136.81 1djg n GLU 262 Ca 0.17 0.61 -0.02 0.00 0.66 0.00 0.00 57.16 58.58 1djg n GLU 262 Cb 0.51 -1.97 -0.01 0.00 0.27 0.00 0.00 31.44 30.25 1djg n GLU 262 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 1djg h THR 263 N 0.00 0.00 -0.92 6.31 1.35 -1.97 -2.39 112.91 115.29 1djg h THR 263 Ca 0.00 -0.89 0.12 0.00 -0.55 0.00 0.00 66.41 65.09 1djg h THR 263 Cb 0.13 0.00 -0.08 0.00 -1.73 0.00 0.00 68.15 66.47 1djg h THR 263 CO 0.00 0.00 0.55 0.00 -0.25 0.00 0.00 175.52 175.82 1djg h ALA 264 N -1.11 1.37 0.12 6.62 0.00 -1.65 0.92 119.26 125.54 1djg h ALA 264 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1djg h ALA 264 Cb 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1djg h ALA 264 CO 0.00 0.14 -0.51 -0.22 0.00 0.00 0.00 179.25 178.66 1djg h LYS 265 N 0.87 -0.70 -0.87 0.00 3.64 0.11 0.40 116.57 120.03 1djg h LYS 265 Ca 0.46 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 60.00 1djg h LYS 265 Cb 0.48 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.38 1djg h LYS 265 CO -0.27 -0.47 0.50 0.00 -2.27 0.00 0.00 179.45 176.94 1djg h ALA 266 N -0.60 1.28 -0.08 5.00 0.00 -0.22 0.89 119.26 125.52 1djg h ALA 266 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1djg h ALA 266 Cb 0.73 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1djg h ALA 266 CO -0.27 0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.11 1djg n GLN 267 N -4.74 1.51 -3.96 0.00 6.02 0.29 -4.88 117.38 111.62 1djg n GLN 267 Ca 0.16 -0.43 -0.25 0.00 -0.01 0.00 0.00 57.00 56.46 1djg n GLN 267 Cb 0.33 -1.55 -0.02 0.00 1.02 0.00 0.00 30.24 30.01 1djg n GLN 267 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1djg n ARG 268 N 0.06 -3.24 -4.14 -1.09 1.74 0.38 -4.96 116.66 105.41 1djg n ARG 268 Ca 0.04 0.40 -0.14 0.00 -0.77 0.00 0.00 57.85 57.38 1djg n ARG 268 Cb 0.35 -4.51 -0.11 0.00 -1.02 0.00 0.00 32.46 27.17 1djg n ARG 268 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1djg s GLN 269 N -6.57 0.76 -0.13 5.56 -0.21 0.11 -3.49 119.66 115.69 1djg s GLN 269 Ca 0.00 -1.06 0.02 0.00 0.02 0.00 0.00 55.36 54.34 1djg s GLN 269 Cb -0.00 -0.44 -0.00 0.00 1.00 0.00 0.00 33.01 33.57 1djg s GLN 269 CO 0.89 0.07 -0.20 1.41 -2.12 0.00 0.00 175.29 175.34 1djg s MET 270 N -2.55 3.13 0.69 2.91 -2.45 0.21 -3.86 119.30 117.38 1djg s MET 270 Ca 0.02 -0.81 -0.05 0.00 -1.25 0.00 0.00 55.69 53.60 1djg s MET 270 Cb -0.04 -2.47 0.07 0.00 1.25 0.00 0.00 34.83 33.64 1djg s MET 270 CO -0.00 0.09 0.98 0.95 1.05 0.00 0.00 175.02 178.09 1djg s THR 271 N 0.58 2.32 0.31 10.11 -4.23 -1.26 0.11 115.64 123.58 1djg s THR 271 Ca -0.11 -0.36 0.03 0.00 -1.18 0.00 0.00 61.69 60.06 1djg s THR 271 Cb -0.16 -2.96 0.29 0.00 1.34 0.00 0.00 72.50 71.01 1djg s THR 271 CO 0.03 0.00 1.88 0.50 -0.54 0.00 0.00 174.62 176.50 1djg h LYS 272 N -0.52 0.92 -0.21 3.99 3.64 -2.00 0.48 116.57 122.87 1djg h LYS 272 Ca -0.43 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 1djg h LYS 272 Cb 1.30 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1djg h LYS 272 CO 0.56 0.61 0.10 -0.44 -2.27 0.00 0.00 179.45 178.01 1djg h ASP 273 N 0.95 0.15 -0.29 4.20 3.32 -1.97 -0.28 116.42 122.50 1djg h ASP 273 Ca 0.43 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.45 1djg h ASP 273 Cb 0.39 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1djg h ASP 273 CO -0.19 0.12 0.06 1.23 -1.72 0.00 0.00 179.24 178.74 1djg h GLY 274 N 0.22 0.61 0.83 2.75 0.00 -1.44 0.13 103.07 106.17 1djg h GLY 274 Ca 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 1djg h GLY 274 CO -0.06 0.31 -0.30 -2.75 0.00 0.00 0.00 176.54 173.74 1djg h PHE 275 N 0.55 -0.81 -0.74 5.60 3.57 0.07 -0.24 116.94 124.94 1djg h PHE 275 Ca 0.12 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.68 1djg h PHE 275 Cb 0.26 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.23 1djg h PHE 275 CO 0.01 -0.46 0.43 1.25 -2.23 0.00 0.00 178.31 177.31 1djg h LEU 276 N -0.74 0.66 0.01 0.59 5.85 -0.67 -0.24 115.31 120.77 1djg h LEU 276 Ca -0.05 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1djg h LEU 276 Cb 0.61 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1djg h LEU 276 CO 0.03 0.42 -0.11 0.24 -0.34 0.00 0.00 178.44 178.68 1djg h MET 277 N 0.79 -0.19 -0.38 1.25 2.86 -0.66 -0.26 114.93 118.34 1djg h MET 277 Ca 0.33 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 58.03 1djg h MET 277 Cb 0.20 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.86 1djg h MET 277 CO -0.19 -0.12 0.14 -0.92 1.06 0.00 0.00 176.91 176.88 1djg h TYR 278 N -0.19 0.25 0.00 -0.22 3.20 -0.43 -1.12 116.97 118.45 1djg h TYR 278 Ca 0.04 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1djg h TYR 278 Cb 0.24 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.45 1djg h TYR 278 CO -0.17 0.10 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.30 1djg h LEU 279 N 0.30 0.00 -1.20 2.82 3.38 -0.47 -1.70 115.31 118.43 1djg h LEU 279 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1djg h LEU 279 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1djg h LEU 279 CO -0.17 0.08 -0.20 0.18 0.09 0.00 0.00 178.44 178.41 1djg n LEU 280 N -3.90 2.07 -4.97 1.67 4.77 -0.16 -3.93 117.00 112.54 1djg n LEU 280 Ca -0.02 -0.70 -0.26 0.00 -0.03 0.00 0.00 56.01 54.99 1djg n LEU 280 Cb 0.17 -0.02 0.15 0.00 -2.33 0.00 0.00 43.42 41.39 1djg n LEU 280 CO 0.30 0.36 0.70 -0.94 -1.33 0.00 0.00 177.39 176.49 1djg s SER 281 N -2.24 3.68 0.56 -1.43 1.04 -0.49 -4.87 113.70 109.94 1djg s SER 281 Ca 0.26 -0.19 0.26 0.00 0.48 0.00 0.00 55.95 56.75 1djg s SER 281 Cb 0.19 0.03 1.60 0.00 0.10 0.00 0.00 66.02 67.94 1djg s SER 281 CO 0.43 -2.33 2.19 0.00 0.98 0.00 0.00 173.24 174.51 1djg h ALA 282 N -1.06 1.60 0.00 5.32 0.00 -1.90 0.13 119.26 123.34 1djg h ALA 282 Ca -0.39 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 1djg h ALA 282 Cb 1.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1djg h ALA 282 CO 0.36 0.04 -0.68 -0.44 0.00 0.00 0.00 179.25 178.53 1djg h ASP 283 N 0.00 0.00 0.20 0.00 3.32 -1.93 -3.21 116.42 114.81 1djg h ASP 283 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1djg h ASP 283 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1djg h ASP 283 CO 0.00 0.68 -0.37 0.61 -1.72 0.00 0.00 179.24 178.45 1djg n GLY 284 N 1.23 -0.57 3.76 2.75 0.00 0.25 -4.94 105.19 107.67 1djg n GLY 284 Ca 0.01 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 1djg n GLY 284 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1djg n ASN 285 N -0.66 3.91 0.28 1.61 2.85 -0.12 -2.08 115.26 121.04 1djg n ASN 285 Ca 0.10 1.17 0.18 0.00 -0.11 0.00 0.00 54.58 55.92 1djg n ASN 285 Cb 0.37 -1.61 0.88 0.00 1.24 0.00 0.00 39.78 40.66 1djg n ASN 285 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1djg h ALA 286 N 4.41 1.00 -2.34 5.20 0.00 -1.57 -3.37 119.26 122.59 1djg h ALA 286 Ca -0.48 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.76 1djg h ALA 286 Cb 1.23 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.85 1djg h ALA 286 CO 0.76 0.00 -0.06 0.12 0.00 0.00 0.00 179.25 180.07 1djg s PHE 287 N -3.81 3.14 -0.43 0.00 2.19 -1.26 -0.26 117.98 117.54 1djg s PHE 287 Ca -0.01 -0.12 -0.41 0.00 0.33 0.00 0.00 56.93 56.71 1djg s PHE 287 Cb 0.10 -3.04 -0.16 0.00 -1.31 0.00 0.00 43.02 38.61 1djg s PHE 287 CO 0.44 -0.71 2.09 0.45 1.83 0.00 0.00 175.22 179.32 1djg n SER 288 N 5.85 1.35 -0.36 6.13 2.88 0.11 -4.82 113.62 124.75 1djg n SER 288 Ca -0.05 0.66 0.09 0.00 -1.33 0.00 0.00 58.87 58.24 1djg n SER 288 Cb 0.48 -1.03 0.27 0.00 -0.75 0.00 0.00 64.21 63.18 1djg n SER 288 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1djg h LEU 289 N 9.70 0.87 -1.39 2.46 5.85 -1.84 -0.95 115.31 130.01 1djg h LEU 289 Ca -0.20 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.65 1djg h LEU 289 Cb 1.38 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 1djg h LEU 289 CO 1.05 0.41 0.48 0.00 -0.34 0.00 0.00 178.44 180.04 1djg h ALA 290 N 1.58 1.72 -0.02 1.25 0.00 -1.93 -0.34 119.26 121.53 1djg h ALA 290 Ca 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1djg h ALA 290 Cb 0.65 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1djg h ALA 290 CO -0.31 0.16 0.00 0.72 0.00 0.00 0.00 179.25 179.83 1djg n HIS 291 N -4.48 0.02 -1.06 0.00 8.25 -0.37 -3.55 115.22 114.03 1djg n HIS 291 Ca 0.11 -0.01 -0.21 0.00 -0.26 0.00 0.00 57.72 57.35 1djg n HIS 291 Cb 0.24 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.53 1djg n HIS 291 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1djg n ARG 292 N -0.70 2.32 -3.75 -0.41 1.74 -0.14 -2.02 116.66 113.71 1djg n ARG 292 Ca 0.16 -2.82 -0.13 0.00 -0.77 0.00 0.00 57.85 54.28 1djg n ARG 292 Cb 0.10 -2.11 -0.08 0.00 -1.02 0.00 0.00 32.46 29.35 1djg n ARG 292 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1djg s ARG 293 N -3.06 0.69 -0.02 5.56 1.70 -1.23 -4.39 118.95 118.20 1djg s ARG 293 Ca 0.53 -0.19 -0.31 0.00 -0.47 0.00 0.00 55.73 55.29 1djg s ARG 293 Cb 0.44 0.31 -0.09 0.00 -0.57 0.00 0.00 34.95 35.04 1djg s ARG 293 CO 0.11 -0.19 1.99 0.28 -1.08 0.00 0.00 175.30 176.40 1djg n VAL 294 N 1.22 0.69 -0.61 4.99 0.31 -1.25 -3.10 118.33 120.58 1djg n VAL 294 Ca -0.21 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 1djg n VAL 294 Cb 0.56 -2.26 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 1djg n VAL 294 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1djg n TYR 295 N 7.85 0.00 -2.54 3.52 4.11 -1.26 -4.95 117.16 123.89 1djg n TYR 295 Ca 0.22 0.00 -0.23 0.00 -0.00 0.00 0.00 57.90 57.88 1djg n TYR 295 Cb 0.39 0.00 0.04 0.00 -0.00 0.00 0.00 39.34 39.77 1djg n TYR 295 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.86 176.21 1djg s GLN 296 N -0.04 2.57 -0.47 -3.48 -0.21 -1.26 -4.99 119.66 111.77 1djg s GLN 296 Ca 0.00 -0.50 -0.28 0.00 0.02 0.00 0.00 55.36 54.61 1djg s GLN 296 Cb 0.00 -2.38 -0.02 0.00 1.00 0.00 0.00 33.01 31.61 1djg s GLN 296 CO 0.00 -0.79 1.78 0.34 -2.12 0.00 0.00 175.29 174.50 1djg s ASP 297 N -4.41 5.65 -0.18 5.90 -1.08 -1.26 -4.82 116.67 116.47 1djg s ASP 297 Ca 0.56 0.78 0.09 0.00 -0.52 0.00 0.00 52.55 53.46 1djg s ASP 297 Cb -0.10 -2.53 0.56 0.00 -1.46 0.00 0.00 42.92 39.38 1djg s ASP 297 CO 0.41 -1.99 1.39 0.23 0.52 0.00 0.00 175.17 175.73 1djg n MET 298 N 8.75 3.53 -0.27 4.34 2.81 -1.26 -4.35 117.12 130.67 1djg n MET 298 Ca 0.21 -2.17 0.07 0.00 -1.81 0.00 0.00 57.70 54.00 1djg n MET 298 Cb 0.49 -2.01 0.18 0.00 -0.71 0.00 0.00 33.22 31.18 1djg n MET 298 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1djg n ASP 299 N 0.33 3.21 -4.98 7.83 8.00 -1.26 -2.19 116.55 127.49 1djg n ASP 299 Ca 0.21 -2.53 -0.20 0.00 0.71 0.00 0.00 54.79 52.98 1djg n ASP 299 Cb 0.95 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 41.67 1djg n ASP 299 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1djg s GLN 300 N -1.95 3.29 0.32 -1.24 -0.21 -1.26 -4.77 119.66 113.83 1djg s GLN 300 Ca 0.30 -0.85 -0.28 0.00 0.02 0.00 0.00 55.36 54.54 1djg s GLN 300 Cb 0.22 -2.84 -0.13 0.00 1.00 0.00 0.00 33.01 31.26 1djg s GLN 300 CO 0.10 0.24 1.26 -2.30 -2.12 0.00 0.00 175.29 172.47 1djg n PRO 301 N -1.54 1.98 -0.39 2.91 -0.02 -1.26 -3.96 135.00 132.72 1djg n PRO 301 Ca -0.05 0.70 0.32 0.00 -2.02 0.00 0.00 63.50 62.45 1djg n PRO 301 Cb 0.57 -2.25 0.59 0.00 -0.02 0.00 0.00 33.50 32.39 1djg n PRO 301 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1djg h LEU 302 N 2.68 0.33 0.00 2.45 3.38 -1.24 0.55 115.31 123.46 1djg h LEU 302 Ca -0.45 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1djg h LEU 302 Cb 1.29 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1djg h LEU 302 CO 0.64 -0.15 0.03 -1.54 0.09 0.00 0.00 178.44 177.51 1djg n SER 303 N -4.78 0.00 -0.07 -0.43 3.41 -1.26 -1.39 113.62 109.09 1djg n SER 303 Ca 0.34 0.47 0.11 0.00 -0.26 0.00 0.00 58.87 59.53 1djg n SER 303 Cb 1.25 -0.47 0.10 0.00 -0.26 0.00 0.00 64.21 64.83 1djg n SER 303 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1djg n HIS 304 N -1.47 0.00 -4.22 7.33 8.25 0.19 -4.66 115.22 120.64 1djg n HIS 304 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.21 1djg n HIS 304 Cb 0.03 -0.12 -0.07 0.00 1.12 0.00 0.00 29.99 30.94 1djg n HIS 304 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1djg s TYR 305 N -2.90 2.82 0.05 4.41 1.51 -0.49 -0.71 117.35 122.03 1djg s TYR 305 Ca 0.12 -0.16 -0.20 0.00 -1.01 0.00 0.00 57.07 55.82 1djg s TYR 305 Cb 0.17 -1.33 -0.06 0.00 -0.11 0.00 0.00 41.96 40.63 1djg s TYR 305 CO 0.73 0.54 0.60 -0.51 -1.11 0.00 0.00 175.55 175.81 1djg s LEU 306 N -3.19 4.48 -0.10 -1.29 1.43 0.22 -4.69 118.68 115.55 1djg s LEU 306 Ca 0.29 1.25 0.03 0.00 -1.03 0.00 0.00 54.13 54.66 1djg s LEU 306 Cb -0.08 -2.94 -0.01 0.00 0.03 0.00 0.00 46.19 43.18 1djg s LEU 306 CO 0.19 0.19 -0.18 -0.69 0.23 0.00 0.00 176.35 176.09 1djg s VAL 307 N -0.69 2.63 -0.20 -1.59 1.01 0.02 -1.33 120.40 120.25 1djg s VAL 307 Ca 0.31 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 1djg s VAL 307 Cb -0.19 -2.05 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1djg s VAL 307 CO 0.19 0.55 1.49 -0.55 0.00 0.00 0.00 175.10 176.78 1djg s SER 308 N 0.07 6.60 -0.00 3.32 0.15 -0.67 -4.32 113.70 118.84 1djg s SER 308 Ca -0.08 1.66 0.03 0.00 0.70 0.00 0.00 55.95 58.26 1djg s SER 308 Cb -0.15 -2.53 -0.01 0.00 -1.71 0.00 0.00 66.02 61.62 1djg s SER 308 CO 0.05 -1.06 -0.09 -0.44 1.20 0.00 0.00 173.24 172.90 1djg s SER 309 N 3.33 1.03 0.08 5.45 0.01 -1.26 0.05 113.70 122.39 1djg s SER 309 Ca 0.65 -0.18 0.05 0.00 1.31 0.00 0.00 55.95 57.79 1djg s SER 309 Cb -0.24 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 1djg s SER 309 CO 0.25 0.09 -0.04 -0.94 0.41 0.00 0.00 173.24 173.02 1djg s SER 310 N -0.28 4.80 -0.16 2.44 1.04 -0.13 -2.32 113.70 119.10 1djg s SER 310 Ca 0.03 -0.23 -0.08 0.00 0.48 0.00 0.00 55.95 56.16 1djg s SER 310 Cb -0.04 -1.09 -0.04 0.00 0.10 0.00 0.00 66.02 64.95 1djg s SER 310 CO -0.00 0.19 0.11 -2.28 0.98 0.00 0.00 173.24 172.23 1djg s HIS 311 N -1.24 3.41 -1.54 5.02 5.04 0.21 -4.08 115.29 122.12 1djg s HIS 311 Ca 0.23 0.33 -0.05 0.00 -1.54 0.00 0.00 55.06 54.03 1djg s HIS 311 Cb -0.11 -2.03 0.05 0.00 0.04 0.00 0.00 32.58 30.52 1djg s HIS 311 CO 0.15 0.43 0.38 0.09 -2.34 0.00 0.00 174.74 173.46 1djg n ASN 312 N 2.85 -0.61 -0.47 9.88 3.02 -1.26 -4.62 115.26 124.05 1djg n ASN 312 Ca -0.18 -1.10 0.39 0.00 -0.03 0.00 0.00 54.58 53.65 1djg n ASN 312 Cb 0.53 -2.47 0.67 0.00 -0.61 0.00 0.00 39.78 37.90 1djg n ASN 312 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1djg h THR 313 N -1.69 0.13 0.00 3.41 2.02 -1.78 -0.02 112.91 114.98 1djg h THR 313 Ca -0.63 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1djg h THR 313 Cb 1.38 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1djg h THR 313 CO 0.70 0.01 0.00 0.10 0.37 0.00 0.00 175.52 176.70 1djg h TYR 314 N 0.08 0.00 -3.77 3.16 -0.00 -1.86 -3.38 116.97 111.20 1djg h TYR 314 Ca 0.82 0.00 -0.49 0.00 -0.00 0.00 0.00 58.73 59.06 1djg h TYR 314 Cb 2.69 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 39.40 1djg h TYR 314 CO -0.00 0.00 0.34 -0.51 -0.00 0.00 0.00 178.16 177.99 1djg s LEU 315 N -6.06 4.58 -0.12 0.10 1.43 -0.02 -1.00 118.68 117.59 1djg s LEU 315 Ca -0.02 1.91 0.19 0.00 -1.03 0.00 0.00 54.13 55.17 1djg s LEU 315 Cb 0.11 -3.68 -0.27 0.00 0.03 0.00 0.00 46.19 42.38 1djg s LEU 315 CO 0.45 0.12 0.24 0.18 0.23 0.00 0.00 176.35 177.57 1djg n LEU 316 N 1.30 0.00 0.00 1.79 4.77 -0.80 -4.81 117.00 119.25 1djg n LEU 316 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1djg n LEU 316 Cb 0.48 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1djg n LEU 316 CO 0.49 0.26 0.00 -0.62 -1.33 0.00 0.00 177.39 176.18 1djg n GLU 317 N -2.48 0.00 -1.44 3.23 1.02 -1.26 -4.86 120.64 114.85 1djg n GLU 317 Ca -0.19 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.66 1djg n GLU 317 Cb 0.86 0.00 0.18 0.00 -0.02 0.00 0.00 31.44 32.45 1djg n GLU 317 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1djg s ASP 318 N 1.00 2.62 0.00 1.62 -4.77 -1.26 -4.64 116.67 111.24 1djg s ASP 318 Ca 0.00 0.77 0.25 0.00 -3.30 0.00 0.00 52.55 50.27 1djg s ASP 318 Cb 0.00 -1.17 0.46 0.00 -1.09 0.00 0.00 42.92 41.12 1djg s ASP 318 CO 0.00 -3.09 1.38 0.00 0.70 0.00 0.00 175.17 174.16 1djg n GLN 319 N -4.09 1.03 -0.12 2.11 1.13 -0.39 -3.99 117.38 113.06 1djg n GLN 319 Ca 0.10 -0.72 -0.20 0.00 -1.94 0.00 0.00 57.00 54.23 1djg n GLN 319 Cb 0.59 -1.49 -0.10 0.00 0.11 0.00 0.00 30.24 29.36 1djg n GLN 319 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1djg n LEU 320 N -0.35 2.40 0.00 1.08 4.77 -1.26 -4.79 117.00 118.84 1djg n LEU 320 Ca 0.11 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 1djg n LEU 320 Cb 0.40 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 1djg n LEU 320 CO 0.26 0.71 0.12 0.35 -1.33 0.00 0.00 177.39 177.50 1djg n THR 321 N -3.58 0.00 -1.38 -5.08 -2.24 -1.26 -0.35 114.28 100.38 1djg n THR 321 Ca -0.43 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.05 1djg n THR 321 Cb 0.89 1.00 0.19 0.00 -2.10 0.00 0.00 70.33 70.31 1djg n THR 321 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1djg s GLY 322 N 0.00 1.61 0.70 3.38 0.00 -1.26 -4.51 107.32 107.24 1djg s GLY 322 Ca 0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 44.72 43.85 1djg s GLY 322 CO 0.00 -0.05 1.05 2.56 0.00 0.00 0.00 173.10 176.66 1djg s PRO 323 N -5.38 2.54 0.10 2.90 0.04 -1.26 -2.26 135.00 131.67 1djg s PRO 323 Ca 0.68 0.13 0.07 0.00 0.04 0.00 0.00 61.00 61.92 1djg s PRO 323 Cb -0.12 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1djg s PRO 323 CO 0.55 -1.12 -0.17 -1.12 0.04 0.00 0.00 177.00 175.18 1djg s SER 324 N -4.43 2.12 -0.17 6.66 0.01 -1.26 -1.91 113.70 114.72 1djg s SER 324 Ca 0.58 -0.70 -0.30 0.00 1.31 0.00 0.00 55.95 56.84 1djg s SER 324 Cb -0.11 -0.09 0.13 0.00 0.21 0.00 0.00 66.02 66.16 1djg s SER 324 CO 0.48 -0.04 1.03 -0.55 0.41 0.00 0.00 173.24 174.57 1djg s SER 325 N -2.03 -0.34 0.50 2.44 0.15 -0.17 -4.83 113.70 109.42 1djg s SER 325 Ca 0.05 0.37 0.17 0.00 0.70 0.00 0.00 55.95 57.24 1djg s SER 325 Cb -0.08 0.28 1.24 0.00 -1.71 0.00 0.00 66.02 65.74 1djg s SER 325 CO 0.03 -0.31 2.10 0.71 1.20 0.00 0.00 173.24 176.97 1djg h THR 326 N 2.51 0.98 -0.74 6.45 1.35 -1.94 -0.53 112.91 120.98 1djg h THR 326 Ca -0.17 -0.25 0.13 0.00 -0.55 0.00 0.00 66.41 65.56 1djg h THR 326 Cb 1.16 1.14 -0.05 0.00 -1.73 0.00 0.00 68.15 68.67 1djg h THR 326 CO 0.30 0.07 0.49 -0.08 -0.25 0.00 0.00 175.52 176.05 1djg h GLU 327 N 0.00 0.50 -0.47 4.72 4.22 -1.94 0.12 114.58 121.73 1djg h GLU 327 Ca -0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.38 1djg h GLU 327 Cb 0.13 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1djg h GLU 327 CO 0.01 0.33 0.18 0.00 -2.18 0.00 0.00 179.01 177.35 1djg h ALA 328 N 1.64 1.43 -0.02 2.92 0.00 -1.37 0.33 119.26 124.19 1djg h ALA 328 Ca 0.36 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 1djg h ALA 328 Cb 0.68 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1djg h ALA 328 CO -0.12 0.43 -0.91 1.88 0.00 0.00 0.00 179.25 180.52 1djg h TYR 329 N 0.67 0.70 -0.16 0.00 0.05 -0.89 -2.38 116.97 114.95 1djg h TYR 329 Ca 0.16 -0.36 -0.02 0.00 0.05 0.00 0.00 58.73 58.56 1djg h TYR 329 Cb 0.15 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 1djg h TYR 329 CO 0.01 1.18 0.03 0.82 -1.05 0.00 0.00 178.16 179.15 1djg h ILE 330 N 0.28 1.21 0.17 -2.88 2.04 -0.79 -1.21 117.51 116.34 1djg h ILE 330 Ca -0.08 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.11 1djg h ILE 330 Cb 1.54 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.97 1djg h ILE 330 CO 0.16 0.20 -0.16 -0.09 0.00 0.00 0.00 178.15 178.26 1djg h ARG 331 N 0.05 -0.35 -0.72 2.37 2.43 -0.97 0.34 114.38 117.54 1djg h ARG 331 Ca 0.05 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1djg h ARG 331 Cb 0.28 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.85 1djg h ARG 331 CO 0.00 -0.23 0.41 0.00 -1.51 0.00 0.00 179.97 178.64 1djg h ALA 332 N 0.43 0.97 -0.33 2.80 0.00 -1.41 -0.81 119.26 120.92 1djg h ALA 332 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1djg h ALA 332 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1djg h ALA 332 CO -0.04 0.10 0.07 -0.07 0.00 0.00 0.00 179.25 179.31 1djg h LEU 333 N 0.76 0.51 -2.76 0.00 3.38 -0.61 0.21 115.31 116.79 1djg h LEU 333 Ca 0.32 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1djg h LEU 333 Cb 0.19 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1djg h LEU 333 CO -0.18 0.63 -0.00 0.00 0.09 0.00 0.00 178.44 178.97 1djg n LYS 335 N -3.34 2.16 -0.59 0.00 5.02 -0.38 -4.87 118.16 116.17 1djg n LYS 335 Ca -0.03 -1.54 0.00 0.00 -2.02 0.00 0.00 58.31 54.72 1djg n LYS 335 Cb 0.08 -1.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1djg n LYS 335 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1djg n GLY 336 N 1.03 0.73 3.72 0.72 0.00 0.16 -5.02 105.19 106.53 1djg n GLY 336 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1djg n GLY 336 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djg n ARG 338 N 2.60 0.53 -3.59 0.00 5.12 0.11 -4.61 116.66 116.83 1djg n ARG 338 Ca 0.11 0.13 -0.41 0.00 -1.93 0.00 0.00 57.85 55.75 1djg n ARG 338 Cb 0.35 -1.42 -0.11 0.00 -1.16 0.00 0.00 32.46 30.12 1djg n ARG 338 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1djg s LEU 340 N 1.56 4.00 -0.13 0.00 1.43 -0.24 -0.96 118.68 124.35 1djg s LEU 340 Ca 0.02 0.01 -0.01 0.00 -1.03 0.00 0.00 54.13 53.12 1djg s LEU 340 Cb -0.19 -2.61 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 1djg s LEU 340 CO 0.07 0.09 -0.10 -1.61 0.23 0.00 0.00 176.35 175.03 1djg s GLU 341 N -2.97 3.43 -0.18 1.70 2.02 -1.26 -0.73 118.70 120.71 1djg s GLU 341 Ca 0.32 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.70 1djg s GLU 341 Cb -0.11 -2.72 0.03 0.00 0.10 0.00 0.00 34.13 31.43 1djg s GLU 341 CO 0.25 0.26 -0.13 -0.51 0.02 0.00 0.00 175.26 175.15 1djg s LEU 342 N 0.26 2.02 -0.49 1.80 1.02 -0.21 -3.79 118.68 119.30 1djg s LEU 342 Ca -0.07 -0.70 -0.13 0.00 0.02 0.00 0.00 54.13 53.24 1djg s LEU 342 Cb -0.15 -1.23 0.10 0.00 0.02 0.00 0.00 46.19 44.94 1djg s LEU 342 CO 0.04 -0.10 0.40 -1.81 0.02 0.00 0.00 176.35 174.91 1djg s ASP 343 N 1.43 5.99 -0.18 2.29 1.01 -1.26 -1.05 116.67 124.90 1djg s ASP 343 Ca 0.02 -1.64 -0.16 0.00 0.71 0.00 0.00 52.55 51.48 1djg s ASP 343 Cb -0.15 -2.13 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1djg s ASP 343 CO -0.10 -0.72 0.40 0.00 0.21 0.00 0.00 175.17 174.96 1djg s TRP 345 N 1.10 1.06 0.40 0.00 0.52 -0.08 0.46 118.94 122.40 1djg s TRP 345 Ca 0.20 -0.81 -0.26 0.00 0.02 0.00 0.00 56.10 55.25 1djg s TRP 345 Cb -0.15 -0.57 -0.09 0.00 -1.15 0.00 0.00 33.47 31.51 1djg s TRP 345 CO 0.08 -0.03 1.24 -0.51 0.02 0.00 0.00 176.95 177.75 1djg s ASP 346 N -2.99 6.42 0.29 2.95 1.01 -1.26 -0.22 116.67 122.87 1djg s ASP 346 Ca 0.13 2.52 0.03 0.00 0.71 0.00 0.00 52.55 55.94 1djg s ASP 346 Cb 0.03 -2.63 -0.06 0.00 1.01 0.00 0.00 42.92 41.27 1djg s ASP 346 CO -0.02 -0.76 0.06 -0.83 0.21 0.00 0.00 175.17 173.83 1djg s GLY 347 N -0.89 1.87 1.07 0.21 0.00 -1.13 -4.57 107.32 103.89 1djg s GLY 347 Ca 0.56 -1.95 -0.12 0.00 0.00 0.00 0.00 44.72 43.22 1djg s GLY 347 CO 0.45 -1.72 0.96 -1.05 0.00 0.00 0.00 173.10 171.74 1djg n PRO 348 N -0.57 -1.61 -1.78 2.90 -0.02 -1.26 -2.84 135.00 129.82 1djg n PRO 348 Ca -0.02 -0.43 -0.16 0.00 -2.02 0.00 0.00 63.50 60.87 1djg n PRO 348 Cb 0.66 -2.19 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 1djg n PRO 348 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1djg n ASN 349 N -4.29 -4.48 -3.14 2.55 3.02 -1.26 -1.53 115.26 106.13 1djg n ASN 349 Ca 0.06 0.30 -0.22 0.00 -0.03 0.00 0.00 54.58 54.70 1djg n ASN 349 Cb 0.54 -3.97 0.01 0.00 -0.61 0.00 0.00 39.78 35.75 1djg n ASN 349 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1djg n GLN 350 N -2.35 -3.71 -4.00 3.52 1.13 -1.13 -4.93 117.38 105.92 1djg n GLN 350 Ca -0.17 0.63 -0.34 0.00 -1.94 0.00 0.00 57.00 55.18 1djg n GLN 350 Cb 0.57 -5.38 -0.15 0.00 0.11 0.00 0.00 30.24 25.40 1djg n GLN 350 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1djg s GLU 351 N -5.79 2.79 0.72 -1.09 0.41 -0.58 -4.92 118.70 110.24 1djg s GLU 351 Ca 0.32 -1.00 -0.15 0.00 -0.41 0.00 0.00 54.97 53.73 1djg s GLU 351 Cb -0.16 -2.91 0.03 0.00 -1.78 0.00 0.00 34.13 29.31 1djg s GLU 351 CO 0.39 -0.39 1.22 -1.25 -0.49 0.00 0.00 175.26 174.74 1djg s PRO 352 N 1.29 2.17 0.32 0.39 0.05 -1.26 -2.84 135.00 135.13 1djg s PRO 352 Ca -0.00 1.79 0.04 0.00 0.05 0.00 0.00 61.00 62.88 1djg s PRO 352 Cb -0.16 -1.83 -0.06 0.00 0.05 0.00 0.00 34.50 32.49 1djg s PRO 352 CO -0.06 -1.82 0.05 0.96 0.05 0.00 0.00 177.00 176.18 1djg s ILE 353 N -1.92 1.23 -0.07 0.56 -4.36 0.69 -2.34 121.20 115.00 1djg s ILE 353 Ca 0.75 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.16 1djg s ILE 353 Cb -0.30 -2.78 0.01 0.00 1.25 0.00 0.00 42.46 40.64 1djg s ILE 353 CO 0.45 -0.02 -0.12 -0.63 0.24 0.00 0.00 174.94 174.86 1djg s ILE 354 N -3.27 1.12 0.17 8.37 1.01 0.42 -0.90 121.20 128.12 1djg s ILE 354 Ca 0.36 -0.47 -0.23 0.00 0.00 0.00 0.00 60.65 60.31 1djg s ILE 354 Cb 0.09 -1.03 0.08 0.00 0.01 0.00 0.00 42.46 41.60 1djg s ILE 354 CO 0.15 0.35 1.04 -0.72 0.00 0.00 0.00 174.94 175.77 1djg s TYR 355 N 0.69 0.02 -0.39 3.97 1.13 -1.17 -0.93 117.35 120.68 1djg s TYR 355 Ca -0.14 -0.38 -0.22 0.00 -1.41 0.00 0.00 57.07 54.91 1djg s TYR 355 Cb -0.16 0.68 0.01 0.00 -1.10 0.00 0.00 41.96 41.39 1djg s TYR 355 CO 0.03 -0.86 0.74 -1.58 -2.51 0.00 0.00 175.55 171.37 1djg s HIS 356 N -2.43 3.09 0.12 -3.49 5.65 -1.26 -4.66 115.29 112.30 1djg s HIS 356 Ca 0.19 0.36 -0.36 0.00 0.25 0.00 0.00 55.06 55.51 1djg s HIS 356 Cb -0.02 -3.41 -0.16 0.00 -1.18 0.00 0.00 32.58 27.82 1djg s HIS 356 CO 0.04 -0.78 1.40 0.41 -0.65 0.00 0.00 174.74 175.16 1djg n GLY 357 N 4.72 0.65 2.26 1.59 0.00 -1.26 -2.23 105.19 110.91 1djg n GLY 357 Ca 0.02 0.68 -0.11 0.00 0.00 0.00 0.00 46.02 46.60 1djg n GLY 357 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1djg n TYR 358 N 2.73 -0.30 -4.22 1.61 4.01 -1.26 -5.01 117.16 114.72 1djg n TYR 358 Ca 0.18 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.79 1djg n TYR 358 Cb 0.22 -2.34 -0.05 0.00 -0.31 0.00 0.00 39.34 36.86 1djg n TYR 358 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1djg n THR 359 N -3.44 0.00 -0.89 -0.72 -2.24 -0.95 -5.04 114.28 101.01 1djg n THR 359 Ca -0.12 -1.45 0.08 0.00 -2.27 0.00 0.00 64.05 60.29 1djg n THR 359 Cb 0.50 0.64 0.33 0.00 -2.10 0.00 0.00 70.33 69.69 1djg n THR 359 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1djg n PHE 360 N -0.45 1.47 -1.95 4.78 3.01 0.52 -4.92 117.46 119.92 1djg n PHE 360 Ca 0.01 -0.77 -0.41 0.00 1.01 0.00 0.00 57.45 57.29 1djg n PHE 360 Cb 0.36 -0.38 -0.02 0.00 -0.01 0.00 0.00 39.48 39.44 1djg n PHE 360 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1djg s THR 361 N -2.64 2.44 0.97 4.37 -4.23 -1.17 -4.65 115.64 110.74 1djg s THR 361 Ca 0.48 0.40 -0.13 0.00 -1.18 0.00 0.00 61.69 61.26 1djg s THR 361 Cb 0.36 -3.26 0.08 0.00 1.34 0.00 0.00 72.50 71.03 1djg s THR 361 CO 0.14 0.08 0.56 -1.54 -0.54 0.00 0.00 174.62 173.32 1djg n SER 362 N 1.57 -1.56 -4.57 3.99 3.41 -0.96 -4.57 113.62 110.94 1djg n SER 362 Ca 0.04 0.27 -0.30 0.00 -0.26 0.00 0.00 58.87 58.63 1djg n SER 362 Cb 0.40 -1.24 -0.10 0.00 -0.26 0.00 0.00 64.21 63.01 1djg n SER 362 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1djg s LYS 363 N -3.88 2.12 0.11 4.33 1.02 -1.26 -4.18 119.74 117.99 1djg s LYS 363 Ca 0.60 -1.02 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1djg s LYS 363 Cb -0.21 -2.30 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 1djg s LYS 363 CO 0.65 0.51 -0.02 0.96 -0.92 0.00 0.00 175.35 176.53 1djg s ILE 364 N -1.20 0.47 0.04 2.17 -4.36 -0.10 -4.95 121.20 113.27 1djg s ILE 364 Ca 0.21 -1.91 -0.27 0.00 -0.26 0.00 0.00 60.65 58.42 1djg s ILE 364 Cb -0.11 -1.80 -0.05 0.00 1.25 0.00 0.00 42.46 41.76 1djg s ILE 364 CO 0.13 -0.75 0.85 -0.76 0.24 0.00 0.00 174.94 174.65 1djg s LEU 365 N -3.04 4.43 0.23 0.37 1.43 -1.26 0.16 118.68 120.99 1djg s LEU 365 Ca 0.15 1.54 -0.07 0.00 -1.03 0.00 0.00 54.13 54.73 1djg s LEU 365 Cb 0.06 -3.37 0.34 0.00 0.03 0.00 0.00 46.19 43.26 1djg s LEU 365 CO -0.03 -0.07 1.78 0.15 0.23 0.00 0.00 176.35 178.40 1djg h PHE 366 N 5.99 0.64 -0.16 0.29 3.57 -1.74 0.23 116.94 125.75 1djg h PHE 366 Ca -0.43 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 1djg h PHE 366 Cb 1.21 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.76 1djg h PHE 366 CO 0.65 0.22 0.07 0.00 -2.23 0.00 0.00 178.31 177.03 1djg h ASP 368 N 0.12 0.85 -0.50 0.00 3.32 -1.71 0.35 116.42 118.86 1djg h ASP 368 Ca 0.06 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 1djg h ASP 368 Cb 0.14 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1djg h ASP 368 CO -0.01 0.53 0.02 0.58 -1.72 0.00 0.00 179.24 178.64 1djg h VAL 369 N 0.95 1.25 -0.81 -1.35 2.07 -0.27 -2.98 116.25 115.11 1djg h VAL 369 Ca 0.39 -1.05 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1djg h VAL 369 Cb 0.27 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1djg h VAL 369 CO -0.15 0.38 0.37 -0.07 0.02 0.00 0.00 177.57 178.12 1djg h LEU 370 N 0.85 1.08 -0.03 2.57 3.38 0.42 -1.49 115.31 122.10 1djg h LEU 370 Ca 0.16 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.00 1djg h LEU 370 Cb 0.48 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1djg h LEU 370 CO 0.02 0.93 -0.08 0.03 0.09 0.00 0.00 178.44 179.43 1djg h ARG 371 N 1.16 -0.12 -0.66 1.13 3.08 -1.24 0.38 114.38 118.11 1djg h ARG 371 Ca 0.28 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.35 1djg h ARG 371 Cb 0.15 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.19 1djg h ARG 371 CO -0.03 -0.08 0.42 0.00 -1.07 0.00 0.00 179.97 179.21 1djg h ALA 372 N 0.89 0.85 -0.41 0.04 0.00 -1.34 0.37 119.26 119.65 1djg h ALA 372 Ca 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1djg h ALA 372 Cb 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1djg h ALA 372 CO -0.10 0.21 0.11 0.82 0.00 0.00 0.00 179.25 180.29 1djg h ILE 373 N 0.84 1.22 -0.44 0.00 2.04 -0.89 -1.56 117.51 118.74 1djg h ILE 373 Ca 0.25 -0.76 0.06 0.00 1.00 0.00 0.00 64.86 65.41 1djg h ILE 373 Cb -0.04 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1djg h ILE 373 CO -0.08 0.27 0.13 -0.09 0.00 0.00 0.00 178.15 178.37 1djg h ARG 374 N 0.52 0.27 0.00 2.37 2.43 0.10 0.24 114.38 120.32 1djg h ARG 374 Ca 0.13 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 1djg h ARG 374 Cb 0.29 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1djg h ARG 374 CO -0.00 0.18 -0.25 -0.44 -1.51 0.00 0.00 179.97 177.95 1djg h ASP 375 N 0.28 0.00 0.00 -3.80 3.32 0.04 -3.31 116.42 112.94 1djg h ASP 375 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1djg h ASP 375 Cb 0.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1djg h ASP 375 CO -0.24 0.25 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 1djg n TYR 376 N -3.63 0.00 -0.27 4.55 4.02 -0.62 -4.76 117.16 116.46 1djg n TYR 376 Ca -0.01 -0.09 0.17 0.00 -0.01 0.00 0.00 57.90 57.96 1djg n TYR 376 Cb 0.38 -0.01 0.46 0.00 -0.02 0.00 0.00 39.34 40.15 1djg n TYR 376 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1djg h ALA 377 N 0.00 2.07 -0.10 -0.72 0.00 -0.63 -2.68 119.26 117.20 1djg h ALA 377 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1djg h ALA 377 Cb 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1djg h ALA 377 CO 0.00 -0.37 0.00 1.19 0.00 0.00 0.00 179.25 180.07 1djg n PHE 378 N -4.57 0.15 -0.24 0.00 3.72 -1.26 -4.65 117.46 110.62 1djg n PHE 378 Ca 0.20 -0.56 0.09 0.00 -0.05 0.00 0.00 57.45 57.13 1djg n PHE 378 Cb 0.66 -0.06 0.35 0.00 -0.94 0.00 0.00 39.48 39.48 1djg n PHE 378 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1djg h LYS 379 N 0.58 0.74 0.00 -1.08 3.64 -1.77 -2.89 116.57 115.79 1djg h LYS 379 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1djg h LYS 379 Cb 0.64 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1djg h LYS 379 CO 0.01 0.49 -1.29 0.00 -2.27 0.00 0.00 179.45 176.39 1djg n ALA 380 N -2.44 3.85 -3.53 5.00 0.00 -1.26 -5.00 120.51 117.13 1djg n ALA 380 Ca 0.14 -0.52 -0.13 0.00 0.00 0.00 0.00 53.44 52.93 1djg n ALA 380 Cb 0.34 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 19.05 1djg n ALA 380 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1djg s SER 381 N -3.37 -0.50 0.03 0.00 0.15 -1.09 -4.63 113.70 104.28 1djg s SER 381 Ca 0.02 0.45 0.23 0.00 0.70 0.00 0.00 55.95 57.35 1djg s SER 381 Cb 0.14 0.43 0.06 0.00 -1.71 0.00 0.00 66.02 64.94 1djg s SER 381 CO 0.80 -0.53 1.05 -0.81 1.20 0.00 0.00 173.24 174.96 1djg n PRO 382 N 0.61 0.18 -1.89 5.44 -0.04 -1.26 -4.13 135.00 133.90 1djg n PRO 382 Ca -0.14 -0.01 -0.33 0.00 -0.04 0.00 0.00 63.50 62.98 1djg n PRO 382 Cb 0.58 -1.55 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 1djg n PRO 382 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1djg s TYR 383 N -3.13 2.87 0.41 0.54 2.02 -1.26 -0.19 117.35 118.61 1djg s TYR 383 Ca 0.06 1.52 -0.25 0.00 -0.37 0.00 0.00 57.07 58.03 1djg s TYR 383 Cb 0.15 -3.05 -0.11 0.00 -0.40 0.00 0.00 41.96 38.56 1djg s TYR 383 CO 0.80 -1.32 1.01 -0.35 -1.57 0.00 0.00 175.55 174.12 1djg n PRO 384 N -2.29 1.37 -4.41 -1.71 -0.04 -1.25 -4.61 135.00 122.05 1djg n PRO 384 Ca 0.09 0.49 -0.34 0.00 -0.04 0.00 0.00 63.50 63.70 1djg n PRO 384 Cb 0.53 -2.03 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 1djg n PRO 384 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1djg s VAL 385 N -1.26 3.95 -0.18 0.52 1.01 -0.84 -4.85 120.40 118.75 1djg s VAL 385 Ca 0.63 -0.35 -0.05 0.00 0.00 0.00 0.00 61.98 62.21 1djg s VAL 385 Cb -0.57 -2.71 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1djg s VAL 385 CO 0.57 0.52 -0.01 -0.63 0.00 0.00 0.00 175.10 175.55 1djg s ILE 386 N 0.10 4.01 -0.30 2.22 1.01 -0.31 -0.36 121.20 127.57 1djg s ILE 386 Ca -0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.24 1djg s ILE 386 Cb -0.13 -2.79 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 1djg s ILE 386 CO 0.03 0.46 0.15 -0.76 0.00 0.00 0.00 174.94 174.82 1djg s LEU 387 N 0.66 4.02 -0.37 2.97 1.43 0.02 -1.08 118.68 126.34 1djg s LEU 387 Ca -0.01 -0.37 -0.21 0.00 -1.03 0.00 0.00 54.13 52.51 1djg s LEU 387 Cb -0.14 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.06 1djg s LEU 387 CO 0.02 -0.15 0.69 -0.55 0.23 0.00 0.00 176.35 176.60 1djg s SER 388 N 1.65 6.46 -0.22 2.29 0.15 0.09 -0.61 113.70 123.50 1djg s SER 388 Ca 0.05 0.18 -0.14 0.00 0.70 0.00 0.00 55.95 56.75 1djg s SER 388 Cb -0.17 -2.35 -0.04 0.00 -1.71 0.00 0.00 66.02 61.75 1djg s SER 388 CO 0.07 -0.67 0.30 -0.76 1.20 0.00 0.00 173.24 173.39 1djg s LEU 389 N 2.87 4.13 -0.56 3.45 1.43 0.34 -1.04 118.68 129.30 1djg s LEU 389 Ca 0.27 0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.68 1djg s LEU 389 Cb -0.14 -2.35 0.15 0.00 0.03 0.00 0.00 46.19 43.88 1djg s LEU 389 CO 0.16 -0.03 0.36 -0.70 0.23 0.00 0.00 176.35 176.37 1djg s GLU 390 N 1.29 2.36 -0.43 1.70 2.12 -0.21 -4.56 118.70 120.97 1djg s GLU 390 Ca 0.14 -2.39 -0.25 0.00 0.36 0.00 0.00 54.97 52.83 1djg s GLU 390 Cb -0.14 -3.64 0.02 0.00 0.26 0.00 0.00 34.13 30.63 1djg s GLU 390 CO 0.07 -1.14 0.87 1.21 -0.54 0.00 0.00 175.26 175.73 1djg s ASN 391 N 0.79 6.51 0.00 -1.70 2.47 -1.26 -0.07 114.94 121.68 1djg s ASN 391 Ca 0.15 0.17 0.08 0.00 0.42 0.00 0.00 52.86 53.69 1djg s ASN 391 Cb -0.21 -2.43 0.24 0.00 -1.45 0.00 0.00 41.25 37.39 1djg s ASN 391 CO -0.03 -0.94 1.19 1.41 -3.72 0.00 0.00 177.10 175.01 1djg n HIS 392 N 6.88 0.35 -2.68 0.43 8.25 0.17 -4.96 115.22 123.66 1djg n HIS 392 Ca 0.05 -0.49 -0.33 0.00 -0.26 0.00 0.00 57.72 56.69 1djg n HIS 392 Cb 0.48 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.51 1djg n HIS 392 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1djg s SER 394 N -2.38 4.39 0.23 0.00 1.04 -1.26 -4.63 113.70 111.09 1djg s SER 394 Ca 0.62 2.24 -0.08 0.00 0.48 0.00 0.00 55.95 59.21 1djg s SER 394 Cb -0.10 -2.58 0.38 0.00 0.10 0.00 0.00 66.02 63.82 1djg s SER 394 CO 0.18 -2.13 1.65 -0.07 0.98 0.00 0.00 173.24 173.86 1djg h LEU 395 N -0.29 -0.26 0.40 2.42 3.38 -1.92 0.45 115.31 119.48 1djg h LEU 395 Ca -0.47 0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1djg h LEU 395 Cb 1.28 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 1djg h LEU 395 CO 0.50 -0.13 -0.22 -0.08 0.09 0.00 0.00 178.44 178.61 1djg h GLU 396 N 0.14 -0.55 -0.06 1.13 4.57 -2.00 -1.81 114.58 116.00 1djg h GLU 396 Ca 0.37 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.58 1djg h GLU 396 Cb 0.64 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1djg h GLU 396 CO -0.58 -0.37 -0.01 1.96 -1.18 0.00 0.00 179.01 178.83 1djg h GLN 397 N -0.58 0.08 -0.68 1.92 4.20 -1.54 0.31 115.11 118.82 1djg h GLN 397 Ca -0.05 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1djg h GLN 397 Cb 0.46 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 1djg h GLN 397 CO 0.06 0.10 0.36 1.96 -0.67 0.00 0.00 178.83 180.64 1djg h GLN 398 N 0.08 0.93 -0.51 1.46 4.20 0.33 0.21 115.11 121.81 1djg h GLN 398 Ca 0.02 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 1djg h GLN 398 Cb 0.08 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.65 1djg h GLN 398 CO 0.00 0.69 0.03 0.00 -0.67 0.00 0.00 178.83 178.88 1djg h ARG 399 N 0.94 0.89 -0.87 1.46 3.08 0.40 -1.01 114.38 119.26 1djg h ARG 399 Ca 0.24 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1djg h ARG 399 Cb 0.04 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 1djg h ARG 399 CO -0.04 0.91 0.58 0.28 -1.07 0.00 0.00 179.97 180.63 1djg h VAL 400 N 0.76 1.21 0.10 2.04 2.07 0.05 -0.92 116.25 121.57 1djg h VAL 400 Ca 0.15 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1djg h VAL 400 Cb 0.49 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1djg h VAL 400 CO 0.02 0.21 -0.07 0.24 0.02 0.00 0.00 177.57 178.00 1djg h MET 401 N 1.17 -0.16 -0.95 1.57 2.86 0.18 -1.59 114.93 118.01 1djg h MET 401 Ca 0.32 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 58.04 1djg h MET 401 Cb -0.12 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.52 1djg h MET 401 CO -0.07 -0.11 0.62 0.00 1.06 0.00 0.00 176.91 178.41 1djg h ALA 402 N 0.73 1.46 -0.42 6.32 0.00 -0.61 -0.29 119.26 126.46 1djg h ALA 402 Ca -0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1djg h ALA 402 Cb 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1djg h ALA 402 CO 0.00 0.40 0.23 0.00 0.00 0.00 0.00 179.25 179.87 1djg h ARG 403 N 1.10 0.59 -0.49 0.00 3.08 -0.64 -1.54 114.38 116.49 1djg h ARG 403 Ca 0.41 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.38 1djg h ARG 403 Cb 0.19 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1djg h ARG 403 CO -0.16 0.48 0.26 0.45 -1.07 0.00 0.00 179.97 179.93 1djg h HIS 404 N 0.55 0.68 0.34 3.04 3.86 -0.61 0.37 115.15 123.38 1djg h HIS 404 Ca 0.15 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1djg h HIS 404 Cb 0.07 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.29 1djg h HIS 404 CO -0.02 0.52 -0.47 -0.07 0.86 0.00 0.00 177.93 178.75 1djg h LEU 405 N 0.65 -1.33 -0.14 2.43 3.38 -0.72 0.40 115.31 119.98 1djg h LEU 405 Ca 0.17 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1djg h LEU 405 Cb 0.07 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1djg h LEU 405 CO -0.03 -0.59 0.06 0.03 0.09 0.00 0.00 178.44 178.00 1djg h ARG 406 N -0.86 0.20 -0.67 1.13 3.08 -1.14 0.32 114.38 116.45 1djg h ARG 406 Ca -0.03 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.93 1djg h ARG 406 Cb 0.79 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 1djg h ARG 406 CO -0.14 0.28 0.18 0.00 -1.07 0.00 0.00 179.97 179.22 1djg h ALA 407 N 0.92 0.88 0.01 0.04 0.00 -0.03 -1.81 119.26 119.26 1djg h ALA 407 Ca 0.05 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 1djg h ALA 407 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1djg h ALA 407 CO -0.00 0.58 -0.81 0.82 0.00 0.00 0.00 179.25 179.83 1djg h ILE 408 N 0.99 1.26 -0.07 0.00 2.04 -0.14 -3.37 117.51 118.21 1djg h ILE 408 Ca 0.21 -2.27 -0.14 0.00 1.00 0.00 0.00 64.86 63.67 1djg h ILE 408 Cb 0.34 2.72 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1djg h ILE 408 CO -0.00 0.47 -0.57 -0.07 0.00 0.00 0.00 178.15 177.98 1djg h LEU 409 N -0.91 0.23 0.00 1.44 4.07 -1.05 -3.48 115.31 115.61 1djg h LEU 409 Ca -0.21 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.62 1djg h LEU 409 Cb 1.25 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.92 1djg h LEU 409 CO -0.10 0.75 0.00 0.61 -1.08 0.00 0.00 178.44 178.62 1djg n GLY 410 N 0.17 3.08 0.25 0.83 0.00 -0.68 -1.90 105.19 106.94 1djg n GLY 410 Ca -0.02 -0.25 0.17 0.00 0.00 0.00 0.00 46.02 45.93 1djg n GLY 410 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1djg h PRO 411 N 0.00 0.00 0.00 1.61 0.14 -1.92 -2.62 132.00 129.21 1djg h PRO 411 Ca 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 66.00 66.06 1djg h PRO 411 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.13 1djg h PRO 411 CO 0.00 0.00 -0.37 0.82 0.14 0.00 0.00 178.00 178.59 1djg h ILE 412 N 0.00 1.19 -3.00 -3.56 2.04 -1.67 -3.43 117.51 109.07 1djg h ILE 412 Ca 0.00 -1.29 -0.54 0.00 1.00 0.00 0.00 64.86 64.04 1djg h ILE 412 Cb 0.18 1.71 0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1djg h ILE 412 CO 0.00 0.36 0.73 -0.22 0.00 0.00 0.00 178.15 179.02 1djg s LEU 413 N -7.99 4.35 -0.42 1.44 2.96 -0.99 -0.59 118.68 117.44 1djg s LEU 413 Ca -0.02 2.18 -0.26 0.00 -0.22 0.00 0.00 54.13 55.81 1djg s LEU 413 Cb 0.14 -3.57 0.02 0.00 0.50 0.00 0.00 46.19 43.28 1djg s LEU 413 CO 0.71 -0.64 0.92 -0.22 -1.32 0.00 0.00 176.35 175.80 1djg s LEU 414 N 1.60 4.00 0.00 -0.68 2.96 -0.34 -4.87 118.68 121.36 1djg s LEU 414 Ca 0.63 0.32 0.04 0.00 -0.22 0.00 0.00 54.13 54.90 1djg s LEU 414 Cb -0.33 -3.22 0.09 0.00 0.50 0.00 0.00 46.19 43.23 1djg s LEU 414 CO 0.28 -0.96 0.93 -0.90 -1.32 0.00 0.00 176.35 174.38 1djg n ASP 415 N 6.99 1.99 -3.72 3.68 5.75 -1.26 -4.69 116.55 125.30 1djg n ASP 415 Ca 0.06 -1.70 -0.13 0.00 -0.01 0.00 0.00 54.79 53.02 1djg n ASP 415 Cb 0.48 -0.06 -0.08 0.00 -1.03 0.00 0.00 41.12 40.44 1djg n ASP 415 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1djg s GLN 416 N -0.76 0.80 0.72 0.11 0.74 -1.26 -4.78 119.66 115.22 1djg s GLN 416 Ca 0.08 -0.28 -0.15 0.00 0.05 0.00 0.00 55.36 55.06 1djg s GLN 416 Cb 0.04 0.35 0.03 0.00 1.10 0.00 0.00 33.01 34.54 1djg s GLN 416 CO 0.06 -0.25 1.23 -2.14 -0.55 0.00 0.00 175.29 173.64 1djg s PRO 417 N -1.90 2.15 0.52 1.67 0.02 -1.26 -4.99 135.00 131.22 1djg s PRO 417 Ca -0.09 1.83 -0.06 0.00 0.02 0.00 0.00 61.00 62.69 1djg s PRO 417 Cb -0.03 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.63 1djg s PRO 417 CO 0.01 -1.84 0.85 -0.51 -0.33 0.00 0.00 177.00 175.18 1djg s LEU 418 N -5.06 3.50 -0.12 -5.54 1.43 -1.26 -5.04 118.68 106.59 1djg s LEU 418 Ca 0.76 1.01 -0.26 0.00 -1.03 0.00 0.00 54.13 54.60 1djg s LEU 418 Cb -0.31 -3.96 -0.02 0.00 0.03 0.00 0.00 46.19 41.93 1djg s LEU 418 CO 0.45 -0.69 0.86 -0.62 0.23 0.00 0.00 176.35 176.57 1djg s ASP 419 N -4.14 7.05 0.00 2.29 2.15 -1.26 -3.52 116.67 119.23 1djg s ASP 419 Ca 0.50 1.29 0.00 0.00 0.43 0.00 0.00 52.55 54.76 1djg s ASP 419 Cb -0.10 -2.48 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1djg s ASP 419 CO 0.47 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.73 1djg n GLY 420 N 3.28 0.33 3.27 2.66 0.00 -1.26 -5.04 105.19 108.43 1djg n GLY 420 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1djg n GLY 420 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1djg s VAL 421 N -2.00 3.85 0.00 1.61 1.01 -1.23 -4.77 120.40 118.87 1djg s VAL 421 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1djg s VAL 421 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.15 1djg s VAL 421 CO 0.00 -0.26 0.00 0.35 0.00 0.00 0.00 175.10 175.19 1djg n THR 422 N 4.82 0.00 0.00 3.92 -2.24 -1.26 -4.75 114.28 114.78 1djg n THR 422 Ca -0.11 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.72 1djg n THR 422 Cb 0.44 -0.01 -0.12 0.00 -2.10 0.00 0.00 70.33 68.55 1djg n THR 422 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1djg n THR 423 N -0.32 0.60 -3.68 4.28 -2.24 -1.26 -5.03 114.28 106.63 1djg n THR 423 Ca 0.00 -0.61 -0.06 0.00 -2.27 0.00 0.00 64.05 61.11 1djg n THR 423 Cb 0.00 -0.29 -0.01 0.00 -2.10 0.00 0.00 70.33 67.93 1djg n THR 423 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1djg n SER 424 N -2.55 -0.78 -4.80 3.42 7.64 -1.26 -4.94 113.62 110.34 1djg n SER 424 Ca -0.10 -1.86 -0.33 0.00 1.01 0.00 0.00 58.87 57.59 1djg n SER 424 Cb 0.72 1.39 -0.02 0.00 -1.01 0.00 0.00 64.21 65.30 1djg n SER 424 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1djg s LEU 425 N 0.00 3.74 1.11 -3.43 1.43 -1.26 -4.92 118.68 115.35 1djg s LEU 425 Ca 0.12 1.85 -0.13 0.00 -1.03 0.00 0.00 54.13 54.94 1djg s LEU 425 Cb -0.01 -4.55 0.25 0.00 0.03 0.00 0.00 46.19 41.91 1djg s LEU 425 CO 0.09 -0.85 1.05 -2.16 0.23 0.00 0.00 176.35 174.71 1djg s PRO 426 N -3.53 -0.50 0.38 1.29 0.04 -1.26 -4.27 135.00 127.14 1djg s PRO 426 Ca 0.65 0.60 0.07 0.00 0.04 0.00 0.00 61.00 62.36 1djg s PRO 426 Cb -0.15 -1.62 -0.00 0.00 0.04 0.00 0.00 34.50 32.76 1djg s PRO 426 CO 0.25 -3.38 0.52 -1.54 0.04 0.00 0.00 177.00 172.90 1djg s SER 427 N -3.01 5.83 0.40 6.66 1.04 -1.25 -0.98 113.70 122.39 1djg s SER 427 Ca 0.67 -0.25 0.09 0.00 0.48 0.00 0.00 55.95 56.94 1djg s SER 427 Cb -0.21 -1.02 0.84 0.00 0.10 0.00 0.00 66.02 65.73 1djg s SER 427 CO 0.61 -0.58 1.99 -0.65 0.98 0.00 0.00 173.24 175.59 1djg h PRO 428 N 0.76 0.36 -0.16 4.02 0.11 -1.68 -1.60 132.00 133.79 1djg h PRO 428 Ca -0.44 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1djg h PRO 428 Cb 1.27 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1djg h PRO 428 CO 0.50 0.35 -0.02 0.93 -0.21 0.00 0.00 178.00 179.55 1djg h GLU 429 N 0.35 0.30 -0.18 1.05 4.39 -1.79 -0.07 114.58 118.63 1djg h GLU 429 Ca 0.08 -0.10 0.02 0.00 0.34 0.00 0.00 59.36 59.70 1djg h GLU 429 Cb 0.17 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1djg h GLU 429 CO -0.00 0.54 0.12 1.96 -1.16 0.00 0.00 179.01 180.47 1djg h GLN 430 N 0.02 0.14 -0.65 2.33 4.20 -1.71 -2.04 115.11 117.40 1djg h GLN 430 Ca 0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1djg h GLN 430 Cb 0.42 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1djg h GLN 430 CO 0.01 0.09 0.00 1.28 -0.67 0.00 0.00 178.83 179.55 1djg n LEU 431 N -4.51 3.83 -4.60 1.46 4.77 -0.65 -4.95 117.00 112.35 1djg n LEU 431 Ca 0.00 -1.90 -0.49 0.00 -0.03 0.00 0.00 56.01 53.60 1djg n LEU 431 Cb 0.15 -0.43 -0.04 0.00 -2.33 0.00 0.00 43.42 40.76 1djg n LEU 431 CO 0.35 0.93 0.84 1.17 -1.33 0.00 0.00 177.39 179.35 1djg n LYS 432 N 1.58 1.39 -1.01 3.23 4.81 -0.07 -1.18 118.16 126.91 1djg n LYS 432 Ca 0.23 0.50 -0.00 0.00 -0.87 0.00 0.00 58.31 58.16 1djg n LYS 432 Cb 0.61 -2.07 -0.00 0.00 0.02 0.00 0.00 35.03 33.59 1djg n LYS 432 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1djg n GLY 433 N 2.25 0.39 3.66 3.14 0.00 0.73 -4.90 105.19 110.46 1djg n GLY 433 Ca 0.15 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1djg n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djg s LYS 434 N -0.66 2.42 -0.19 1.61 -0.14 -0.32 -4.73 119.74 117.73 1djg s LYS 434 Ca 0.00 -0.99 -0.03 0.00 -1.36 0.00 0.00 55.97 53.59 1djg s LYS 434 Cb 0.00 -2.42 -0.01 0.00 -1.68 0.00 0.00 37.83 33.72 1djg s LYS 434 CO 0.00 0.49 -0.08 0.42 -0.76 0.00 0.00 175.35 175.43 1djg s ILE 435 N -1.50 3.23 0.11 2.17 1.01 0.24 -1.99 121.20 124.47 1djg s ILE 435 Ca 0.26 -0.56 0.10 0.00 0.00 0.00 0.00 60.65 60.45 1djg s ILE 435 Cb -0.10 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 1djg s ILE 435 CO 0.18 0.46 -0.23 -1.48 0.00 0.00 0.00 174.94 173.87 1djg s LEU 436 N 1.09 2.46 0.05 2.97 2.34 0.51 -1.20 118.68 126.91 1djg s LEU 436 Ca 0.01 -0.65 -0.12 0.00 0.06 0.00 0.00 54.13 53.43 1djg s LEU 436 Cb -0.15 -1.36 -0.06 0.00 -0.56 0.00 0.00 46.19 44.07 1djg s LEU 436 CO -0.01 0.19 0.41 -0.76 -1.06 0.00 0.00 176.35 175.12 1djg s LEU 437 N -1.98 4.40 -0.09 1.48 1.43 -1.26 -0.80 118.68 121.86 1djg s LEU 437 Ca 0.15 0.88 0.04 0.00 -1.03 0.00 0.00 54.13 54.18 1djg s LEU 437 Cb -0.10 -2.84 -0.00 0.00 0.03 0.00 0.00 46.19 43.28 1djg s LEU 437 CO 0.07 0.23 -0.23 -0.75 0.23 0.00 0.00 176.35 175.90 1djg s LYS 438 N -1.57 2.83 0.00 1.70 2.20 0.21 -4.13 119.74 120.98 1djg s LYS 438 Ca 0.29 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 1djg s LYS 438 Cb -0.15 -2.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.97 1djg s LYS 438 CO 0.16 0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.78 1djg n GLY 439 N 3.40 -1.25 3.78 5.54 0.00 -1.01 -0.50 105.19 115.15 1djg n GLY 439 Ca -0.19 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 1djg n GLY 439 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1djg s LYS 440 N -1.46 4.61 -0.02 1.61 1.02 -1.26 0.14 119.74 124.38 1djg s LYS 440 Ca 0.00 1.34 0.05 0.00 0.02 0.00 0.00 55.97 57.38 1djg s LYS 440 Cb 0.00 -2.87 -0.01 0.00 -0.52 0.00 0.00 37.83 34.42 1djg s LYS 440 CO 0.00 0.32 -0.17 0.21 -0.92 0.00 0.00 175.35 174.79 1djg s LYS 441 N -1.92 1.45 0.16 1.68 2.20 -1.26 -4.69 119.74 117.37 1djg s LYS 441 Ca 0.49 -0.61 -0.34 0.00 -0.36 0.00 0.00 55.97 55.15 1djg s LYS 441 Cb -0.20 -1.38 -0.14 0.00 -1.51 0.00 0.00 37.83 34.61 1djg s LYS 441 CO 0.25 0.34 1.55 1.28 -0.36 0.00 0.00 175.35 178.41 1djg n LEU 442 N 2.75 3.00 -4.56 5.43 4.77 -1.26 -4.87 117.00 122.26 1djg n LEU 442 Ca -0.15 1.09 -0.38 0.00 -0.03 0.00 0.00 56.01 56.54 1djg n LEU 442 Cb 0.54 -1.41 0.04 0.00 -2.33 0.00 0.00 43.42 40.26 1djg n LEU 442 CO 0.24 -0.35 0.37 0.61 -1.33 0.00 0.00 177.39 176.93 1djg n GLY 443 N 3.26 -0.75 0.00 -0.72 0.00 -1.26 -5.04 105.19 100.68 1djg n GLY 443 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1djg n GLY 443 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djg n GLY 444 N 1.46 1.26 2.24 -0.02 0.00 -1.26 -5.14 105.19 103.73 1djg n GLY 444 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1djg n GLY 444 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1djg n LEU 445 N 0.00 7.56 0.00 0.99 4.77 -1.26 -5.31 117.00 123.76 1djg n LEU 445 Ca 0.00 -3.94 0.00 0.00 -0.03 0.00 0.00 56.01 52.04 1djg n LEU 445 Cb 0.00 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.60 1djg n LEU 445 CO 0.00 1.88 0.00 0.47 -1.33 0.00 0.00 177.39 178.41 1djg n ASP 484 N 3.31 0.00 0.21 -1.43 8.00 -1.26 -5.35 116.55 120.03 1djg n ASP 484 Ca 0.67 0.00 0.18 0.00 0.71 0.00 0.00 54.79 56.35 1djg n ASP 484 Cb 0.41 0.00 0.84 0.00 -0.02 0.00 0.00 41.12 42.35 1djg n ASP 484 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1djg h LYS 485 N 0.00 0.00 -0.01 -1.24 2.10 -2.02 1.10 116.57 116.50 1djg h LYS 485 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1djg h LYS 485 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1djg h LYS 485 CO 0.00 0.00 -0.33 1.28 -2.00 0.00 0.00 179.45 178.40 1djg n LEU 486 N -3.61 1.38 -0.08 7.07 4.77 -1.26 -4.11 117.00 121.15 1djg n LEU 486 Ca 0.02 -0.44 -0.10 0.00 -0.03 0.00 0.00 56.01 55.46 1djg n LEU 486 Cb 0.36 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.28 1djg n LEU 486 CO 0.25 0.26 -1.03 0.29 -1.33 0.00 0.00 177.39 175.83 1djg n LYS 487 N -0.41 0.99 -4.55 3.23 5.02 0.30 -4.95 118.16 117.79 1djg n LYS 487 Ca 0.11 0.06 -0.24 0.00 -2.02 0.00 0.00 58.31 56.22 1djg n LYS 487 Cb 0.39 -1.36 -0.16 0.00 -0.02 0.00 0.00 35.03 33.88 1djg n LYS 487 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1djg s LEU 488 N -5.61 1.68 0.32 -0.35 0.20 0.28 -4.82 118.68 110.39 1djg s LEU 488 Ca -0.17 -0.27 -0.17 0.00 0.69 0.00 0.00 54.13 54.22 1djg s LEU 488 Cb 0.05 -0.76 -0.09 0.00 -0.43 0.00 0.00 46.19 44.96 1djg s LEU 488 CO 0.48 0.05 0.77 0.68 -0.29 0.00 0.00 176.35 178.03 1djg s VAL 489 N 0.51 4.61 0.32 1.68 -7.23 -1.26 -4.49 120.40 114.54 1djg s VAL 489 Ca -0.11 1.09 0.06 0.00 -1.81 0.00 0.00 61.98 61.21 1djg s VAL 489 Cb -0.14 -3.65 0.09 0.00 0.56 0.00 0.00 36.38 33.24 1djg s VAL 489 CO 0.03 -0.14 1.78 -0.65 -0.31 0.00 0.00 175.10 175.81 1djg h PRO 490 N 2.39 0.35 -1.00 4.82 0.11 -1.96 -1.00 132.00 135.71 1djg h PRO 490 Ca -0.48 -0.12 0.21 0.00 0.11 0.00 0.00 66.00 65.72 1djg h PRO 490 Cb 1.18 -0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.15 1djg h PRO 490 CO 0.65 0.58 0.61 0.93 -0.21 0.00 0.00 178.00 180.55 1djg h GLU 491 N 0.32 0.69 0.03 1.05 3.07 -1.95 0.20 114.58 117.99 1djg h GLU 491 Ca 0.05 -0.04 -0.28 0.00 -0.50 0.00 0.00 59.36 58.59 1djg h GLU 491 Cb 0.60 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.32 1djg h GLU 491 CO 0.04 0.46 -1.53 1.28 -1.40 0.00 0.00 179.01 177.86 1djg n LEU 492 N -4.80 2.07 0.04 1.33 4.77 -1.09 -4.08 117.00 115.24 1djg n LEU 492 Ca 0.24 0.36 0.19 0.00 -0.03 0.00 0.00 56.01 56.78 1djg n LEU 492 Cb 0.62 -1.00 0.70 0.00 -2.33 0.00 0.00 43.42 41.42 1djg n LEU 492 CO 0.20 0.44 1.18 -1.28 -1.33 0.00 0.00 177.39 176.60 1djg h SER 493 N -0.72 0.00 1.14 -1.43 0.87 -0.91 0.49 113.55 112.98 1djg h SER 493 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1djg h SER 493 Cb 1.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 1djg h SER 493 CO -0.15 0.00 0.00 0.47 -0.53 0.00 0.00 176.83 176.62 1djg n ASP 494 N -4.30 0.52 -0.05 6.23 8.00 0.68 -2.76 116.55 124.88 1djg n ASP 494 Ca 0.08 0.57 0.12 0.00 0.71 0.00 0.00 54.79 56.27 1djg n ASP 494 Cb 0.56 -0.70 0.27 0.00 -0.02 0.00 0.00 41.12 41.23 1djg n ASP 494 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1djg n MET 495 N -2.00 0.16 -2.92 -1.24 2.81 0.16 -4.72 117.12 109.36 1djg n MET 495 Ca 0.05 -0.09 -0.43 0.00 -1.81 0.00 0.00 57.70 55.42 1djg n MET 495 Cb 0.35 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.31 1djg n MET 495 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1djg s ILE 496 N -2.91 4.52 -0.10 2.02 -1.09 -1.11 -4.48 121.20 118.05 1djg s ILE 496 Ca 0.13 0.10 -0.11 0.00 -2.23 0.00 0.00 60.65 58.54 1djg s ILE 496 Cb 0.18 -4.47 -0.05 0.00 -1.58 0.00 0.00 42.46 36.54 1djg s ILE 496 CO 0.67 -1.01 -0.23 -0.38 -1.23 0.00 0.00 174.94 172.75 1djg n ILE 497 N 6.05 1.35 0.75 2.92 5.41 -1.26 -4.86 119.36 129.72 1djg n ILE 497 Ca -0.00 0.15 0.10 0.00 1.00 0.00 0.00 62.75 64.00 1djg n ILE 497 Cb 0.47 -2.04 -0.13 0.00 -0.71 0.00 0.00 39.64 37.24 1djg n ILE 497 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1djg n TYR 498 N -4.08 0.00 -3.63 1.39 4.01 -1.26 -4.79 117.16 108.80 1djg n TYR 498 Ca -0.14 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.31 1djg n TYR 498 Cb 0.41 -0.11 -0.12 0.00 -0.31 0.00 0.00 39.34 39.21 1djg n TYR 498 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1djg s LYS 500 N 0.44 4.06 0.19 0.00 2.20 -0.40 -2.41 119.74 123.82 1djg s LYS 500 Ca 0.19 -0.04 -0.33 0.00 -0.36 0.00 0.00 55.97 55.44 1djg s LYS 500 Cb -0.21 -3.60 -0.13 0.00 -1.51 0.00 0.00 37.83 32.38 1djg s LYS 500 CO -0.02 -0.14 1.61 0.43 -0.36 0.00 0.00 175.35 176.88 1djg n SER 501 N 4.87 3.41 -3.96 1.43 7.64 0.37 -1.63 113.62 125.75 1djg n SER 501 Ca -0.11 1.08 -0.09 0.00 1.01 0.00 0.00 58.87 60.77 1djg n SER 501 Cb 0.51 -1.49 -0.09 0.00 -1.01 0.00 0.00 64.21 62.14 1djg n SER 501 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1djg s VAL 502 N 0.86 0.16 0.15 0.44 1.01 -0.91 -4.70 120.40 117.41 1djg s VAL 502 Ca 0.76 -1.30 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 1djg s VAL 502 Cb -0.61 -1.16 -0.07 0.00 0.00 0.00 0.00 36.38 34.54 1djg s VAL 502 CO 0.38 -0.72 0.61 -1.00 0.00 0.00 0.00 175.10 174.37 1djg s HIS 503 N -3.24 3.69 0.01 5.22 3.76 -1.26 -4.22 115.29 119.26 1djg s HIS 503 Ca 0.00 1.24 -0.30 0.00 -0.15 0.00 0.00 55.06 55.86 1djg s HIS 503 Cb 0.03 -2.49 -0.08 0.00 1.11 0.00 0.00 32.58 31.14 1djg s HIS 503 CO -0.08 0.46 1.96 0.12 -0.85 0.00 0.00 174.74 176.35 1djg s PHE 504 N -1.36 1.33 -0.04 1.40 5.36 -1.26 -4.86 117.98 118.55 1djg s PHE 504 Ca 0.36 -0.35 -0.02 0.00 -0.96 0.00 0.00 56.93 55.96 1djg s PHE 504 Cb -0.17 -4.20 -0.01 0.00 -0.34 0.00 0.00 43.02 38.30 1djg s PHE 504 CO 0.20 -5.35 -0.03 0.78 -1.46 0.00 0.00 175.22 169.35 1djg h GLY 505 N 10.84 0.00 0.00 13.12 0.00 -1.93 -3.51 103.07 121.59 1djg h GLY 505 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1djg h GLY 505 CO 0.94 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.09 1djg n GLY 506 N 1.80 -0.57 3.84 4.60 0.00 -1.26 -5.08 105.19 108.51 1djg n GLY 506 Ca -0.01 -1.09 -0.34 0.00 0.00 0.00 0.00 46.02 44.58 1djg n GLY 506 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1djg s PHE 507 N -2.00 3.49 0.00 1.61 0.08 -1.26 -3.40 117.98 116.50 1djg s PHE 507 Ca 0.00 1.27 0.00 0.00 0.12 0.00 0.00 56.93 58.32 1djg s PHE 507 Cb 0.00 -2.55 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 1djg s PHE 507 CO 0.00 0.21 0.00 -1.13 -0.10 0.00 0.00 175.22 174.20 1djg n SER 508 N 0.13 0.00 -0.01 1.36 3.41 -1.26 -4.41 113.62 112.84 1djg n SER 508 Ca 0.01 -0.37 -0.01 0.00 -0.26 0.00 0.00 58.87 58.25 1djg n SER 508 Cb 0.52 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1djg n SER 508 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1djg h SER 509 N 0.00 0.00 0.00 4.04 0.02 -1.98 -3.43 113.55 112.20 1djg h SER 509 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 1djg h SER 509 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 1djg h SER 509 CO 0.00 0.12 1.33 -0.81 -1.14 0.00 0.00 176.83 176.33 1djg n PRO 510 N -2.61 0.00 -4.21 3.45 -0.04 -1.26 -5.18 135.00 125.14 1djg n PRO 510 Ca -0.01 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.29 1djg n PRO 510 Cb 0.03 -0.97 -0.08 0.00 -0.04 0.00 0.00 33.50 32.44 1djg n PRO 510 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1djg s GLY 511 N 4.53 1.89 -0.00 0.55 0.00 -1.26 -5.04 107.32 107.98 1djg s GLY 511 Ca 0.97 -1.83 0.00 0.00 0.00 0.00 0.00 44.72 43.87 1djg s GLY 511 CO 0.37 -1.32 0.55 -1.30 0.00 0.00 0.00 173.10 171.40 1djg n THR 512 N -0.52 0.05 0.00 0.90 -2.24 -1.26 -4.29 114.28 106.92 1djg n THR 512 Ca 0.05 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1djg n THR 512 Cb 0.63 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 1djg n THR 512 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1djg n SER 513 N -0.01 0.00 -4.42 3.42 2.88 -1.26 -4.85 113.62 109.38 1djg n SER 513 Ca 0.01 0.00 -0.48 0.00 -1.33 0.00 0.00 58.87 57.07 1djg n SER 513 Cb 0.25 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.60 1djg n SER 513 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1djg n GLY 514 N 2.52 -0.15 0.88 0.46 0.00 -1.22 -4.81 105.19 102.87 1djg n GLY 514 Ca 0.00 1.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.96 1djg n GLY 514 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1djg n GLN 515 N 8.20 0.00 -1.60 1.61 6.02 -1.26 -4.82 117.38 125.52 1djg n GLN 515 Ca 0.56 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 57.24 1djg n GLN 515 Cb 0.10 -0.29 0.06 0.00 1.02 0.00 0.00 30.24 31.12 1djg n GLN 515 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1djg s ALA 516 N -0.59 2.62 0.49 -1.58 0.00 -1.26 -4.90 121.76 116.55 1djg s ALA 516 Ca 0.11 -0.02 0.22 0.00 0.00 0.00 0.00 51.96 52.26 1djg s ALA 516 Cb 0.02 -3.14 1.28 0.00 0.00 0.00 0.00 23.12 21.28 1djg s ALA 516 CO 0.20 -1.30 1.97 0.27 0.00 0.00 0.00 175.76 176.90 1djg h PHE 517 N -0.78 0.17 -0.45 0.00 -5.15 -1.91 0.21 116.94 109.03 1djg h PHE 517 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 1djg h PHE 517 Cb 1.23 -0.05 0.00 0.00 0.22 0.00 0.00 35.95 37.34 1djg h PHE 517 CO 0.58 0.07 0.00 2.48 -2.00 0.00 0.00 178.31 179.43 1djg n TYR 518 N -4.41 1.36 -4.55 6.09 0.18 -1.26 -4.64 117.16 109.93 1djg n TYR 518 Ca 0.11 -0.50 -0.33 0.00 1.88 0.00 0.00 57.90 59.06 1djg n TYR 518 Cb 0.58 -0.32 -0.15 0.00 -0.38 0.00 0.00 39.34 39.08 1djg n TYR 518 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1djg s GLU 519 N -2.07 3.32 -0.20 -3.48 2.02 0.74 -1.27 118.70 117.75 1djg s GLU 519 Ca 0.39 -0.70 -0.01 0.00 0.02 0.00 0.00 54.97 54.67 1djg s GLU 519 Cb 0.28 -2.68 0.01 0.00 0.10 0.00 0.00 34.13 31.84 1djg s GLU 519 CO 0.15 0.08 -0.13 1.41 0.02 0.00 0.00 175.26 176.78 1djg s MET 520 N 0.70 3.12 0.18 1.61 -2.45 -0.65 -4.55 119.30 117.26 1djg s MET 520 Ca -0.06 -0.77 -0.03 0.00 -1.25 0.00 0.00 55.69 53.58 1djg s MET 520 Cb -0.15 -2.76 -0.05 0.00 1.25 0.00 0.00 34.83 33.11 1djg s MET 520 CO 0.02 -0.22 0.40 0.00 1.05 0.00 0.00 175.02 176.27 1djg s ALA 521 N 1.36 3.79 0.11 4.11 0.00 -1.25 -2.15 121.76 127.73 1djg s ALA 521 Ca 0.05 -0.65 0.09 0.00 0.00 0.00 0.00 51.96 51.44 1djg s ALA 521 Cb -0.14 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 1djg s ALA 521 CO -0.09 0.55 -0.17 -1.12 0.00 0.00 0.00 175.76 174.93 1djg s SER 522 N -2.76 3.93 -0.00 0.00 0.01 -1.26 -1.44 113.70 112.18 1djg s SER 522 Ca 0.40 -0.53 -0.00 0.00 1.31 0.00 0.00 55.95 57.13 1djg s SER 522 Cb -0.12 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.54 1djg s SER 522 CO 0.27 0.18 0.01 -0.36 0.41 0.00 0.00 173.24 173.75 1djg s PHE 523 N -1.13 -0.01 0.62 2.43 0.40 0.80 -4.73 117.98 116.36 1djg s PHE 523 Ca 0.18 0.02 -0.14 0.00 -0.60 0.00 0.00 56.93 56.39 1djg s PHE 523 Cb -0.11 0.00 -0.03 0.00 0.51 0.00 0.00 43.02 43.40 1djg s PHE 523 CO 0.10 -0.00 1.04 -1.54 0.70 0.00 0.00 175.22 175.52 1djg s SER 524 N 0.01 5.81 0.28 1.36 1.04 -1.26 -1.86 113.70 119.08 1djg s SER 524 Ca -0.00 1.67 0.01 0.00 0.48 0.00 0.00 55.95 58.11 1djg s SER 524 Cb -0.00 -2.51 0.67 0.00 0.10 0.00 0.00 66.02 64.28 1djg s SER 524 CO -0.00 -1.15 1.66 -0.08 0.98 0.00 0.00 173.24 174.66 1djg h GLU 525 N 0.03 0.25 0.60 4.02 4.81 -1.23 0.44 114.58 123.50 1djg h GLU 525 Ca -0.45 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 1djg h GLU 525 Cb 1.21 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.54 1djg h GLU 525 CO 0.58 0.17 -0.29 0.77 -0.73 0.00 0.00 179.01 179.51 1djg h SER 526 N 0.26 -0.69 -0.89 1.04 0.02 -1.91 -0.43 113.55 110.95 1djg h SER 526 Ca 0.53 -0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.51 1djg h SER 526 Cb 1.03 0.18 -0.06 0.00 0.14 0.00 0.00 62.40 63.69 1djg h SER 526 CO -0.60 -0.37 0.56 -0.09 -1.14 0.00 0.00 176.83 175.19 1djg h ARG 527 N -1.00 1.02 -0.15 3.45 2.43 -1.69 -1.49 114.38 116.95 1djg h ARG 527 Ca -0.08 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.07 1djg h ARG 527 Cb 0.67 -0.23 -0.04 0.00 -0.42 0.00 0.00 29.97 29.95 1djg h ARG 527 CO 0.14 0.67 -0.11 0.00 -1.51 0.00 0.00 179.97 179.15 1djg h ALA 528 N 1.40 0.00 -0.89 2.80 0.00 0.02 0.53 119.26 123.13 1djg h ALA 528 Ca 0.38 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.39 1djg h ALA 528 Cb 0.13 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1djg h ALA 528 CO -0.16 -0.56 0.57 -0.07 0.00 0.00 0.00 179.25 179.04 1djg h LEU 529 N -0.12 0.95 -0.11 0.00 3.38 -0.36 -0.43 115.31 118.62 1djg h LEU 529 Ca 0.09 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1djg h LEU 529 Cb 0.26 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1djg h LEU 529 CO -0.23 0.65 0.06 -0.09 0.09 0.00 0.00 178.44 178.92 1djg h ARG 530 N 1.11 0.15 -0.79 1.13 2.43 -0.37 0.46 114.38 118.50 1djg h ARG 530 Ca 0.36 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.53 1djg h ARG 530 Cb 0.02 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1djg h ARG 530 CO -0.12 0.18 0.52 -0.07 -1.51 0.00 0.00 179.97 178.97 1djg h LEU 531 N 0.08 0.87 -0.67 3.80 3.38 -0.45 0.25 115.31 122.57 1djg h LEU 531 Ca 0.04 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1djg h LEU 531 Cb 0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1djg h LEU 531 CO -0.01 0.62 -0.66 -0.07 0.09 0.00 0.00 178.44 178.41 1djg h LEU 532 N 1.02 0.00 0.64 1.67 3.38 -0.47 0.86 115.31 122.41 1djg h LEU 532 Ca 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.24 1djg h LEU 532 Cb -0.05 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.71 1djg h LEU 532 CO -0.08 0.66 -0.31 -0.61 0.09 0.00 0.00 178.44 178.20 1djg h GLN 533 N 0.00 -0.83 0.00 1.13 -0.00 0.13 -3.18 115.11 112.36 1djg h GLN 533 Ca -0.01 0.06 -0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1djg h GLN 533 Cb 1.18 0.19 0.00 0.00 0.00 0.00 0.00 27.48 28.85 1djg h GLN 533 CO 0.09 -0.55 -0.00 0.93 0.00 0.00 0.00 178.83 179.29 1djg h GLU 534 N -1.10 -0.00 0.00 1.69 5.08 -0.55 -3.42 114.58 116.28 1djg h GLU 534 Ca -0.09 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 1djg h GLU 534 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 1djg h GLU 534 CO 0.14 0.92 -0.67 0.77 -1.00 0.00 0.00 179.01 179.17 1djg h SER 535 N -0.92 0.00 0.00 1.42 0.02 0.46 -3.47 113.55 111.06 1djg h SER 535 Ca -0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1djg h SER 535 Cb 0.92 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1djg h SER 535 CO 0.00 0.93 0.00 0.61 -1.14 0.00 0.00 176.83 177.23 1djg n GLY 536 N 1.58 0.37 0.34 -3.77 0.00 -0.14 -3.07 105.19 100.50 1djg n GLY 536 Ca -0.13 0.72 0.04 0.00 0.00 0.00 0.00 46.02 46.64 1djg n GLY 536 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1djg h ASN 537 N 0.00 0.65 -0.47 1.61 -0.73 -1.89 0.24 115.58 114.99 1djg h ASN 537 Ca 0.00 -0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.16 1djg h ASN 537 Cb 0.00 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.41 1djg h ASN 537 CO 0.00 0.46 0.29 1.23 -0.37 0.00 0.00 177.43 179.03 1djg h GLY 538 N 0.76 0.67 0.84 1.57 0.00 -1.89 0.13 103.07 105.16 1djg h GLY 538 Ca 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1djg h GLY 538 CO -0.06 0.27 0.03 -2.75 0.00 0.00 0.00 176.54 174.03 1djg h PHE 539 N 0.62 0.18 0.21 5.60 3.04 -1.64 0.48 116.94 125.42 1djg h PHE 539 Ca 0.17 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.11 1djg h PHE 539 Cb -0.02 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.40 1djg h PHE 539 CO -0.03 0.31 -0.50 0.28 -2.02 0.00 0.00 178.31 176.35 1djg h VAL 540 N -0.01 0.04 -0.84 1.41 2.07 -0.67 0.56 116.25 118.82 1djg h VAL 540 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.58 1djg h VAL 540 Cb 0.22 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 1djg h VAL 540 CO -0.00 0.00 0.55 0.03 0.02 0.00 0.00 177.57 178.17 1djg h ARG 541 N -0.79 1.05 -0.51 1.57 3.08 -0.68 -0.62 114.38 117.48 1djg h ARG 541 Ca -0.01 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 59.99 1djg h ARG 541 Cb 0.77 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.55 1djg h ARG 541 CO -0.23 0.70 0.31 1.25 -1.07 0.00 0.00 179.97 180.93 1djg h HIS 542 N 1.08 0.59 0.00 3.04 2.76 0.10 -2.53 115.15 120.19 1djg h HIS 542 Ca 0.32 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 1djg h HIS 542 Cb -0.05 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 28.72 1djg h HIS 542 CO -0.00 0.35 0.00 0.09 -1.30 0.00 0.00 177.93 177.07 1djg n ASN 543 N -4.78 0.00 -0.03 3.26 3.02 0.19 -2.50 115.26 114.41 1djg n ASN 543 Ca 0.03 -0.49 -0.14 0.00 -0.03 0.00 0.00 54.58 53.96 1djg n ASN 543 Cb 0.06 -0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.10 1djg n ASN 543 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1djg h VAL 544 N 0.00 1.47 0.00 2.41 2.07 -1.20 -3.34 116.25 117.66 1djg h VAL 544 Ca 0.00 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.01 1djg h VAL 544 Cb 0.02 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1djg h VAL 544 CO 0.00 0.41 -0.81 -1.54 0.02 0.00 0.00 177.57 175.65 1djg n SER 545 N -4.68 0.80 -4.38 0.57 3.41 -1.23 -4.36 113.62 103.75 1djg n SER 545 Ca -0.08 -0.89 -0.32 0.00 -0.26 0.00 0.00 58.87 57.32 1djg n SER 545 Cb 0.36 1.01 -0.15 0.00 -0.26 0.00 0.00 64.21 65.17 1djg n SER 545 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1djg s LEU 547 N -0.61 4.31 0.00 0.00 1.43 -1.26 -4.31 118.68 118.25 1djg s LEU 547 Ca 0.09 1.28 0.08 0.00 -1.03 0.00 0.00 54.13 54.54 1djg s LEU 547 Cb -0.11 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.89 1djg s LEU 547 CO 0.00 -0.18 -0.24 -0.44 0.23 0.00 0.00 176.35 175.73 1djg s SER 548 N 0.89 3.31 -0.09 2.29 0.01 -1.26 -3.90 113.70 114.96 1djg s SER 548 Ca 0.40 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 57.21 1djg s SER 548 Cb -0.18 -0.43 -0.02 0.00 0.21 0.00 0.00 66.02 65.60 1djg s SER 548 CO 0.19 0.30 -0.13 -0.60 0.41 0.00 0.00 173.24 173.41 1djg s ARG 549 N -0.93 2.96 -0.04 12.44 3.52 -0.52 -1.34 118.95 135.03 1djg s ARG 549 Ca 0.11 -0.67 0.06 0.00 -0.13 0.00 0.00 55.73 55.10 1djg s ARG 549 Cb -0.10 -2.53 -0.01 0.00 -1.56 0.00 0.00 34.95 30.75 1djg s ARG 549 CO 0.01 0.43 -0.22 0.42 -0.81 0.00 0.00 175.30 175.14 1djg s ILE 550 N -0.22 1.76 0.18 4.11 -1.09 0.57 -0.14 121.20 126.37 1djg s ILE 550 Ca 0.01 -0.91 0.05 0.00 -2.23 0.00 0.00 60.65 57.57 1djg s ILE 550 Cb -0.13 -1.48 -0.05 0.00 -1.58 0.00 0.00 42.46 39.22 1djg s ILE 550 CO 0.03 0.50 -0.09 -0.72 -1.23 0.00 0.00 174.94 173.42 1djg s TYR 551 N -0.20 1.45 0.35 3.97 -0.85 -0.77 -0.69 117.35 120.61 1djg s TYR 551 Ca -0.00 -0.74 -0.28 0.00 -0.52 0.00 0.00 57.07 55.53 1djg s TYR 551 Cb -0.11 -0.75 -0.11 0.00 0.38 0.00 0.00 41.96 41.37 1djg s TYR 551 CO 0.02 0.14 1.43 -2.14 -1.52 0.00 0.00 175.55 173.48 1djg s PRO 552 N -3.74 4.19 0.54 -3.49 0.02 -1.26 -0.77 135.00 130.48 1djg s PRO 552 Ca 0.21 2.45 -0.20 0.00 0.02 0.00 0.00 61.00 63.48 1djg s PRO 552 Cb 0.02 -3.01 -0.08 0.00 0.02 0.00 0.00 34.50 31.45 1djg s PRO 552 CO 0.04 -0.43 0.75 0.00 -0.33 0.00 0.00 177.00 177.03 1djg n ALA 553 N 0.71 -0.54 0.27 -1.55 0.00 -1.26 -4.71 120.51 113.43 1djg n ALA 553 Ca 0.01 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.62 1djg n ALA 553 Cb 0.40 -1.95 0.76 0.00 0.00 0.00 0.00 19.45 18.66 1djg n ALA 553 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1djg h GLY 554 N 0.61 0.00 1.66 0.00 0.00 -2.02 -1.90 103.07 101.43 1djg h GLY 554 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1djg h GLY 554 CO 0.50 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 174.37 1djg n TRP 555 N -4.13 0.00 -1.07 5.60 4.27 -1.26 -3.82 117.44 117.03 1djg n TRP 555 Ca -0.03 0.00 -0.15 0.00 -3.89 0.00 0.00 57.50 53.43 1djg n TRP 555 Cb 0.11 -0.33 -0.10 0.00 -1.36 0.00 0.00 31.31 29.63 1djg n TRP 555 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1djg n ARG 556 N -1.33 1.98 0.04 -2.67 1.74 -0.71 -4.55 116.66 111.16 1djg n ARG 556 Ca 0.08 -1.31 0.04 0.00 -0.77 0.00 0.00 57.85 55.89 1djg n ARG 556 Cb 0.16 -1.89 0.20 0.00 -1.02 0.00 0.00 32.46 29.91 1djg n ARG 556 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1djg n THR 557 N 1.74 1.58 1.36 0.55 -2.24 -1.25 0.32 114.28 116.34 1djg n THR 557 Ca 0.38 0.50 0.10 0.00 -2.27 0.00 0.00 64.05 62.77 1djg n THR 557 Cb 0.74 -1.46 0.41 0.00 -2.10 0.00 0.00 70.33 67.92 1djg n THR 557 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1djg n ASP 558 N -1.70 1.38 -1.29 3.42 5.68 -1.26 -1.27 116.55 121.52 1djg n ASP 558 Ca 0.00 -1.65 -0.14 0.00 -0.50 0.00 0.00 54.79 52.50 1djg n ASP 558 Cb 0.05 -0.08 -0.04 0.00 -1.14 0.00 0.00 41.12 39.90 1djg n ASP 558 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1djg n SER 559 N 0.13 -4.56 -4.66 -1.12 7.64 0.15 -4.69 113.62 106.51 1djg n SER 559 Ca 0.16 0.21 -0.29 0.00 1.01 0.00 0.00 58.87 59.95 1djg n SER 559 Cb 0.29 -3.46 0.17 0.00 -1.01 0.00 0.00 64.21 60.19 1djg n SER 559 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1djg s SER 560 N -2.66 2.77 0.22 6.43 1.04 -1.25 -4.67 113.70 115.58 1djg s SER 560 Ca 0.00 1.49 0.11 0.00 0.48 0.00 0.00 55.95 58.03 1djg s SER 560 Cb 0.00 -2.16 -0.05 0.00 0.10 0.00 0.00 66.02 63.91 1djg s SER 560 CO 0.00 -3.08 -0.21 0.20 0.98 0.00 0.00 173.24 171.13 1djg s ASN 561 N -3.19 3.31 0.52 7.02 0.01 -1.26 -4.74 114.94 116.61 1djg s ASN 561 Ca 0.65 -0.93 0.09 0.00 -0.71 0.00 0.00 52.86 51.96 1djg s ASN 561 Cb -0.20 -0.25 0.06 0.00 0.41 0.00 0.00 41.25 41.27 1djg s ASN 561 CO 0.59 0.05 0.69 -0.72 -1.51 0.00 0.00 177.10 176.19 1djg s TYR 562 N -2.07 1.85 -0.14 2.20 1.13 -1.26 -4.96 117.35 114.10 1djg s TYR 562 Ca 0.23 -0.64 -0.29 0.00 -1.41 0.00 0.00 57.07 54.97 1djg s TYR 562 Cb -0.06 -2.23 -0.01 0.00 -1.10 0.00 0.00 41.96 38.56 1djg s TYR 562 CO 0.11 -0.86 0.98 0.45 -2.51 0.00 0.00 175.55 173.72 1djg s SER 563 N -4.53 7.17 0.23 -0.18 0.15 -1.26 -4.86 113.70 110.42 1djg s SER 563 Ca 0.57 1.44 0.02 0.00 0.70 0.00 0.00 55.95 58.69 1djg s SER 563 Cb -0.06 -2.54 0.23 0.00 -1.71 0.00 0.00 66.02 61.94 1djg s SER 563 CO 0.36 -0.48 1.56 1.55 1.20 0.00 0.00 173.24 177.43 1djg h PRO 564 N 7.20 0.35 -0.77 5.44 0.13 -1.97 -3.25 132.00 139.14 1djg h PRO 564 Ca -0.28 -0.22 0.16 0.00 -0.87 0.00 0.00 66.00 64.78 1djg h PRO 564 Cb 1.13 0.03 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 1djg h PRO 564 CO 0.87 0.82 0.25 0.28 -0.23 0.00 0.00 178.00 180.00 1djg h VAL 565 N 0.27 0.56 0.00 1.56 2.07 -1.96 0.37 116.25 119.12 1djg h VAL 565 Ca 0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1djg h VAL 565 Cb 1.06 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1djg h VAL 565 CO 0.09 0.06 -0.04 1.05 0.02 0.00 0.00 177.57 178.75 1djg h GLU 566 N 0.35 0.00 0.16 1.57 4.11 -1.90 -0.74 114.58 118.12 1djg h GLU 566 Ca 0.44 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.66 1djg h GLU 566 Cb 0.74 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.01 1djg h GLU 566 CO -0.48 0.04 -0.90 0.52 0.07 0.00 0.00 179.01 178.27 1djg h MET 567 N 0.00 0.33 -0.39 1.06 2.86 -0.51 -3.28 114.93 115.01 1djg h MET 567 Ca -0.00 -0.56 0.04 0.00 -2.06 0.00 0.00 59.70 57.12 1djg h MET 567 Cb 0.09 0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1djg h MET 567 CO 0.01 1.27 0.26 -1.49 1.06 0.00 0.00 176.91 178.01 1djg h TRP 568 N -0.31 0.35 0.00 -0.22 6.55 -0.22 0.23 115.95 122.33 1djg h TRP 568 Ca -0.16 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.69 1djg h TRP 568 Cb 1.71 -0.12 0.00 0.00 -0.86 0.00 0.00 29.16 29.89 1djg h TRP 568 CO 0.19 0.20 0.00 0.09 -1.05 0.00 0.00 178.44 177.87 1djg n ASN 569 N -4.48 0.00 -0.38 -3.49 3.02 -0.37 -0.37 115.26 109.19 1djg n ASN 569 Ca 0.04 0.13 0.04 0.00 -0.03 0.00 0.00 54.58 54.76 1djg n ASN 569 Cb 0.19 -0.27 0.08 0.00 -0.61 0.00 0.00 39.78 39.18 1djg n ASN 569 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1djg n GLY 570 N -0.50 2.07 2.24 7.41 0.00 0.04 -4.46 105.19 112.00 1djg n GLY 570 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1djg n GLY 570 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djg n GLY 571 N 0.21 0.82 3.67 -0.02 0.00 0.50 -3.59 105.19 106.78 1djg n GLY 571 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1djg n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djg n GLN 573 N 6.78 0.70 -3.17 0.00 0.00 -1.25 -4.29 117.38 116.15 1djg n GLN 573 Ca 0.18 0.21 -0.42 0.00 0.00 0.00 0.00 57.00 56.96 1djg n GLN 573 Cb 0.41 -1.66 -0.00 0.00 0.00 0.00 0.00 30.24 28.99 1djg n GLN 573 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1djg n ILE 574 N -3.24 4.83 -3.01 -0.39 5.41 -0.45 -0.80 119.36 121.71 1djg n ILE 574 Ca -0.32 -5.69 -0.44 0.00 1.00 0.00 0.00 62.75 57.30 1djg n ILE 574 Cb 1.05 -2.26 -0.04 0.00 -0.71 0.00 0.00 39.64 37.69 1djg n ILE 574 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1djg s VAL 575 N -2.23 4.71 0.06 1.39 1.01 -1.26 -0.31 120.40 123.77 1djg s VAL 575 Ca 0.31 -1.07 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 1djg s VAL 575 Cb -0.00 -4.62 -0.05 0.00 0.00 0.00 0.00 36.38 31.72 1djg s VAL 575 CO 0.03 -1.31 0.93 0.00 0.00 0.00 0.00 175.10 174.75 1djg s ALA 576 N 2.89 3.23 0.15 5.51 0.00 0.13 -4.29 121.76 129.39 1djg s ALA 576 Ca 0.20 0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.72 1djg s ALA 576 Cb -0.16 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 1djg s ALA 576 CO 0.02 -0.09 -0.11 -0.51 0.00 0.00 0.00 175.76 175.07 1djg s LEU 577 N 0.38 2.51 -0.89 0.00 1.43 -0.98 -4.24 118.68 116.89 1djg s LEU 577 Ca 0.47 -0.97 -0.24 0.00 -1.03 0.00 0.00 54.13 52.36 1djg s LEU 577 Cb -0.22 -0.40 0.05 0.00 0.03 0.00 0.00 46.19 45.65 1djg s LEU 577 CO 0.28 -0.28 1.35 0.20 0.23 0.00 0.00 176.35 178.12 1djg s ASN 578 N -3.03 6.36 0.22 2.29 0.01 -1.26 -0.62 114.94 118.91 1djg s ASN 578 Ca 0.15 -1.06 0.13 0.00 -0.71 0.00 0.00 52.86 51.38 1djg s ASN 578 Cb 0.01 -2.55 0.73 0.00 0.41 0.00 0.00 41.25 39.84 1djg s ASN 578 CO 0.01 -1.62 1.38 0.49 -1.51 0.00 0.00 177.10 175.85 1djg n PHE 579 N 8.93 0.45 1.44 2.20 3.01 -1.26 -1.47 117.46 130.76 1djg n PHE 579 Ca 0.19 0.24 0.14 0.00 1.01 0.00 0.00 57.45 59.02 1djg n PHE 579 Cb 0.50 -0.83 0.49 0.00 -0.01 0.00 0.00 39.48 39.62 1djg n PHE 579 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1djg n GLN 580 N -1.97 1.51 -3.85 -1.08 0.00 -1.26 -4.82 117.38 105.91 1djg n GLN 580 Ca -0.01 -0.89 -0.36 0.00 0.00 0.00 0.00 57.00 55.75 1djg n GLN 580 Cb 0.08 -1.48 -0.13 0.00 0.00 0.00 0.00 30.24 28.71 1djg n GLN 580 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1djg s THR 581 N -2.10 3.29 0.45 -0.39 2.01 -0.54 -4.96 115.64 113.39 1djg s THR 581 Ca 0.35 -1.26 -0.25 0.00 0.31 0.00 0.00 61.69 60.85 1djg s THR 581 Cb 0.21 -2.86 -0.08 0.00 0.01 0.00 0.00 72.50 69.77 1djg s THR 581 CO 0.37 -0.11 1.32 -2.84 -0.69 0.00 0.00 174.62 172.67 1djg s PRO 582 N 1.32 3.74 0.00 4.92 0.02 -1.26 -4.61 135.00 139.12 1djg s PRO 582 Ca -0.04 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1djg s PRO 582 Cb -0.19 -2.61 0.00 0.00 0.02 0.00 0.00 34.50 31.72 1djg s PRO 582 CO 0.00 -0.69 0.00 0.41 -0.33 0.00 0.00 177.00 176.40 1djg n GLY 583 N 0.63 0.98 0.29 0.52 0.00 -1.26 -4.95 105.19 101.39 1djg n GLY 583 Ca 0.06 -1.06 0.13 0.00 0.00 0.00 0.00 46.02 45.15 1djg n GLY 583 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1djg h PRO 584 N 0.00 0.00 -0.15 1.61 0.11 -1.98 -1.34 132.00 130.25 1djg h PRO 584 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1djg h PRO 584 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1djg h PRO 584 CO 0.00 0.00 -0.03 0.93 -0.21 0.00 0.00 178.00 178.69 1djg h GLU 585 N 0.00 0.28 0.00 1.05 3.07 -1.92 0.42 114.58 117.47 1djg h GLU 585 Ca 0.02 -0.10 -0.13 0.00 -0.50 0.00 0.00 59.36 58.65 1djg h GLU 585 Cb 0.10 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1djg h GLU 585 CO -0.00 0.55 -0.62 0.52 -1.40 0.00 0.00 179.01 178.06 1djg h MET 586 N -0.01 0.00 0.75 2.33 2.86 -1.72 -0.71 114.93 118.43 1djg h MET 586 Ca 0.04 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1djg h MET 586 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 1djg h MET 586 CO 0.01 0.62 -0.39 -0.44 1.06 0.00 0.00 176.91 177.77 1djg h ASP 587 N 0.00 -0.95 -0.46 1.22 3.32 -0.98 0.28 116.42 118.86 1djg h ASP 587 Ca -0.01 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1djg h ASP 587 Cb 1.22 0.26 -0.02 0.00 0.22 0.00 0.00 39.33 41.01 1djg h ASP 587 CO 0.08 -0.65 0.30 0.58 -1.72 0.00 0.00 179.24 177.84 1djg h VAL 588 N -1.05 1.10 0.56 -1.35 2.07 -0.05 -1.85 116.25 115.67 1djg h VAL 588 Ca -0.10 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 1djg h VAL 588 Cb 0.82 0.45 0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1djg h VAL 588 CO 0.15 0.11 -0.27 0.22 0.02 0.00 0.00 177.57 177.80 1djg h TYR 589 N 0.60 -0.69 0.00 1.57 3.20 -0.49 -2.23 116.97 118.92 1djg h TYR 589 Ca 0.17 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1djg h TYR 589 Cb -0.04 0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1djg h TYR 589 CO -0.00 -0.36 0.00 1.28 -1.64 0.00 0.00 178.16 177.44 1djg n LEU 590 N -5.32 0.52 -0.02 2.82 4.77 0.93 -2.17 117.00 118.53 1djg n LEU 590 Ca -0.11 0.64 -0.16 0.00 -0.03 0.00 0.00 56.01 56.35 1djg n LEU 590 Cb 0.33 -0.58 -0.11 0.00 -2.33 0.00 0.00 43.42 40.73 1djg n LEU 590 CO 0.31 -0.54 0.38 1.23 -1.33 0.00 0.00 177.39 177.44 1djg h GLY 591 N 2.04 0.31 0.38 -0.72 0.00 -1.08 -2.21 103.07 101.77 1djg h GLY 591 Ca 0.00 -0.50 0.06 0.00 0.00 0.00 0.00 47.33 46.89 1djg h GLY 591 CO 0.00 0.44 -0.11 0.00 0.00 0.00 0.00 176.54 176.87 1djg n PHE 593 N -5.28 0.13 0.15 0.00 3.72 -0.92 -2.23 117.46 113.03 1djg n PHE 593 Ca -0.01 -0.07 0.10 0.00 -0.05 0.00 0.00 57.45 57.43 1djg n PHE 593 Cb 0.20 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.80 1djg n PHE 593 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1djg h GLN 594 N 0.66 0.00 -7.25 -1.08 5.75 -0.65 -3.28 115.11 109.26 1djg h GLN 594 Ca 0.00 0.00 -0.43 0.00 -0.15 0.00 0.00 58.65 58.07 1djg h GLN 594 Cb 0.15 0.00 0.19 0.00 1.07 0.00 0.00 27.48 28.89 1djg h GLN 594 CO 0.00 0.05 0.08 0.34 -2.65 0.00 0.00 178.83 176.65 1djg s ASP 595 N -5.79 1.24 -1.81 -0.69 -1.08 -0.95 -2.95 116.67 104.65 1djg s ASP 595 Ca 0.02 1.13 -0.21 0.00 -0.52 0.00 0.00 52.55 52.98 1djg s ASP 595 Cb 0.08 -1.74 0.20 0.00 -1.46 0.00 0.00 42.92 40.00 1djg s ASP 595 CO 0.74 -3.99 0.64 -3.20 0.52 0.00 0.00 175.17 169.89 1djg n ASN 596 N -4.73 -2.23 0.00 -0.34 5.15 -0.85 -0.10 115.26 112.15 1djg n ASN 596 Ca 0.06 -1.16 0.00 0.00 -0.60 0.00 0.00 54.58 52.88 1djg n ASN 596 Cb 0.57 -2.03 0.00 0.00 -0.53 0.00 0.00 39.78 37.79 1djg n ASN 596 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1djg n GLY 597 N -1.25 0.84 2.27 8.20 0.00 -0.92 -3.07 105.19 111.25 1djg n GLY 597 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.97 1djg n GLY 597 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1djg n GLY 598 N -2.12 0.07 0.13 -0.02 0.00 0.86 -4.71 105.19 99.39 1djg n GLY 598 Ca 0.00 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.79 1djg n GLY 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1djg n GLY 600 N 0.96 0.82 3.11 0.00 0.00 -1.26 -4.62 105.19 104.19 1djg n GLY 600 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1djg n GLY 600 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djg s TYR 601 N -2.11 2.44 -0.11 1.61 1.51 -1.26 -1.67 117.35 117.77 1djg s TYR 601 Ca 0.00 -1.29 0.02 0.00 -1.01 0.00 0.00 57.07 54.79 1djg s TYR 601 Cb 0.00 -1.71 0.01 0.00 -0.11 0.00 0.00 41.96 40.15 1djg s TYR 601 CO 0.00 -0.64 -0.17 0.08 -1.11 0.00 0.00 175.55 173.71 1djg s VAL 602 N 1.08 1.60 0.06 0.71 1.01 -0.44 -4.89 120.40 119.53 1djg s VAL 602 Ca -0.02 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 60.93 1djg s VAL 602 Cb -0.14 -1.44 -0.07 0.00 0.00 0.00 0.00 36.38 34.72 1djg s VAL 602 CO -0.06 0.46 1.51 -0.22 0.00 0.00 0.00 175.10 176.79 1djg s LEU 603 N 0.82 4.35 0.64 3.92 2.96 -1.26 0.73 118.68 130.84 1djg s LEU 603 Ca -0.10 2.34 -0.17 0.00 -0.22 0.00 0.00 54.13 55.98 1djg s LEU 603 Cb -0.16 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1djg s LEU 603 CO 0.01 -0.78 1.19 -0.54 -1.32 0.00 0.00 176.35 174.91 1djg s LYS 604 N 2.13 2.71 0.70 1.98 1.02 0.11 -4.88 119.74 123.52 1djg s LYS 604 Ca 0.68 1.75 -0.16 0.00 0.02 0.00 0.00 55.97 58.26 1djg s LYS 604 Cb -0.37 -1.90 0.02 0.00 -0.52 0.00 0.00 37.83 35.06 1djg s LYS 604 CO 0.30 -1.39 1.23 -2.30 -0.92 0.00 0.00 175.35 172.27 1djg n PRO 605 N -2.02 0.78 -0.31 -1.68 -0.02 -1.26 -4.78 135.00 125.71 1djg n PRO 605 Ca 0.13 0.33 0.01 0.00 -2.02 0.00 0.00 63.50 61.95 1djg n PRO 605 Cb 0.50 -2.47 0.15 0.00 -0.02 0.00 0.00 33.50 31.66 1djg n PRO 605 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1djg h ALA 606 N 0.03 1.19 0.00 3.55 0.00 -1.97 0.65 119.26 122.72 1djg h ALA 606 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1djg h ALA 606 Cb 1.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1djg h ALA 606 CO 0.50 0.25 0.00 0.27 0.00 0.00 0.00 179.25 180.28 1djg h PHE 607 N 0.95 0.00 -0.04 0.00 -0.00 -1.95 0.49 116.94 116.39 1djg h PHE 607 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.35 1djg h PHE 607 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.16 1djg h PHE 607 CO -0.03 0.00 0.00 1.28 -0.00 0.00 0.00 178.31 179.56 1djg n LEU 608 N -2.61 2.57 -0.54 2.10 4.77 0.20 -3.53 117.00 119.96 1djg n LEU 608 Ca -0.02 -0.87 0.05 0.00 -0.03 0.00 0.00 56.01 55.15 1djg n LEU 608 Cb 0.08 -0.01 0.11 0.00 -2.33 0.00 0.00 43.42 41.26 1djg n LEU 608 CO 0.15 0.43 0.54 0.54 -1.33 0.00 0.00 177.39 177.73 1djg n ARG 609 N 1.01 1.96 -3.40 3.23 1.74 0.17 -4.62 116.66 116.75 1djg n ARG 609 Ca 0.16 -1.68 -0.44 0.00 -0.77 0.00 0.00 57.85 55.11 1djg n ARG 609 Cb 0.53 -1.23 -0.08 0.00 -1.02 0.00 0.00 32.46 30.65 1djg n ARG 609 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1djg s ASP 610 N -0.95 6.14 0.00 0.55 2.15 -0.80 -4.93 116.67 118.82 1djg s ASP 610 Ca 0.18 -1.12 0.00 0.00 0.43 0.00 0.00 52.55 52.05 1djg s ASP 610 Cb 0.10 -2.18 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 1djg s ASP 610 CO 0.14 -0.58 0.82 -0.81 -0.17 0.00 0.00 175.17 174.57 1djg n PRO 611 N 5.25 0.00 -0.05 4.34 -0.04 -1.26 -0.24 135.00 143.00 1djg n PRO 611 Ca -0.11 0.33 0.02 0.00 -0.04 0.00 0.00 63.50 63.70 1djg n PRO 611 Cb 0.45 -1.59 0.05 0.00 -0.04 0.00 0.00 33.50 32.37 1djg n PRO 611 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1djg n ASN 612 N -1.32 2.16 -4.65 3.54 3.02 -1.26 -4.90 115.26 111.85 1djg n ASN 612 Ca 0.00 -1.87 -0.39 0.00 -0.03 0.00 0.00 54.58 52.28 1djg n ASN 612 Cb 0.09 -0.06 0.04 0.00 -0.61 0.00 0.00 39.78 39.23 1djg n ASN 612 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1djg n THR 613 N -0.11 3.32 -0.59 3.41 -1.04 0.66 -4.86 114.28 115.07 1djg n THR 613 Ca 0.04 -0.50 0.09 0.00 -2.04 0.00 0.00 64.05 61.63 1djg n THR 613 Cb 0.28 -1.31 0.30 0.00 -1.82 0.00 0.00 70.33 67.78 1djg n THR 613 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1djg n THR 614 N -1.14 1.71 -1.87 12.58 -2.24 -1.26 -4.87 114.28 117.19 1djg n THR 614 Ca 0.11 -1.27 -0.40 0.00 -2.27 0.00 0.00 64.05 60.22 1djg n THR 614 Cb 0.44 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1djg n THR 614 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1djg s PHE 615 N -1.81 2.62 -0.31 4.78 5.36 -1.26 -4.96 117.98 122.40 1djg s PHE 615 Ca 0.44 1.27 0.04 0.00 -0.96 0.00 0.00 56.93 57.72 1djg s PHE 615 Cb 0.29 -3.89 0.18 0.00 -0.34 0.00 0.00 43.02 39.25 1djg s PHE 615 CO 0.21 -2.71 0.50 1.21 -1.46 0.00 0.00 175.22 172.97 1djg s ASN 616 N -0.42 -0.56 0.57 6.13 3.84 -1.26 -4.11 114.94 119.13 1djg s ASN 616 Ca 0.56 -0.29 0.34 0.00 0.21 0.00 0.00 52.86 53.68 1djg s ASN 616 Cb -0.43 1.53 1.41 0.00 -0.55 0.00 0.00 41.25 43.20 1djg s ASN 616 CO 0.57 -0.31 1.67 0.77 -2.79 0.00 0.00 177.10 177.02 1djg h SER 617 N 7.89 0.00 0.95 -4.21 4.64 -1.95 0.60 113.55 121.46 1djg h SER 617 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1djg h SER 617 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1djg h SER 617 CO 0.20 0.00 -0.31 0.54 -0.87 0.00 0.00 176.83 176.38 1djg n ARG 618 N -3.79 0.15 -3.34 4.77 1.74 -1.26 -4.27 116.66 110.66 1djg n ARG 618 Ca 0.23 0.07 -0.26 0.00 -0.77 0.00 0.00 57.85 57.13 1djg n ARG 618 Cb 1.28 -1.63 -0.09 0.00 -1.02 0.00 0.00 32.46 31.00 1djg n ARG 618 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1djg n ALA 619 N -1.67 2.75 -2.24 7.54 0.00 0.21 -5.11 120.51 122.00 1djg n ALA 619 Ca 0.05 -3.26 -0.43 0.00 0.00 0.00 0.00 53.44 49.81 1djg n ALA 619 Cb 0.39 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 19.04 1djg n ALA 619 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1djg s LEU 620 N -0.42 4.25 0.47 0.00 1.43 -1.19 -4.36 118.68 118.86 1djg s LEU 620 Ca 0.34 1.95 0.04 0.00 -1.03 0.00 0.00 54.13 55.42 1djg s LEU 620 Cb 0.08 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 1djg s LEU 620 CO -0.17 -0.82 0.09 0.42 0.23 0.00 0.00 176.35 176.10 1djg s THR 621 N 3.62 1.66 0.60 5.49 -4.23 -1.26 -5.11 115.64 116.40 1djg s THR 621 Ca 0.63 -1.88 -0.17 0.00 -1.18 0.00 0.00 61.69 59.09 1djg s THR 621 Cb -0.27 -2.53 -0.03 0.00 1.34 0.00 0.00 72.50 71.01 1djg s THR 621 CO 0.22 0.00 1.11 -1.58 -0.54 0.00 0.00 174.62 173.83 1djg s GLN 622 N -3.89 3.08 0.00 3.99 2.00 -1.26 -4.78 119.66 118.80 1djg s GLN 622 Ca 0.24 1.47 0.00 0.00 -2.00 0.00 0.00 55.36 55.07 1djg s GLN 622 Cb 0.04 -1.98 0.00 0.00 0.80 0.00 0.00 33.01 31.87 1djg s GLN 622 CO 0.13 -1.04 0.00 0.41 -0.50 0.00 0.00 175.29 174.29 1djg n GLY 623 N -0.26 1.05 0.49 2.59 0.00 -1.26 -4.98 105.19 102.82 1djg n GLY 623 Ca 0.11 -1.07 0.31 0.00 0.00 0.00 0.00 46.02 45.37 1djg n GLY 623 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1djg h PRO 624 N 0.00 0.00 0.00 1.61 0.13 -2.03 0.79 132.00 132.49 1djg h PRO 624 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.11 1djg h PRO 624 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 1djg h PRO 624 CO 0.00 0.00 -0.08 0.11 -0.23 0.00 0.00 178.00 177.80 1djg h TRP 625 N 0.00 0.00 -2.78 1.56 0.09 -1.94 -3.40 115.95 109.49 1djg h TRP 625 Ca 0.47 0.00 -0.63 0.00 0.09 0.00 0.00 58.89 58.82 1djg h TRP 625 Cb 1.97 0.00 -0.14 0.00 0.08 0.00 0.00 29.16 31.06 1djg h TRP 625 CO 0.00 0.08 0.52 -0.46 0.09 0.00 0.00 178.44 178.67 1djg s TRP 626 N -3.55 2.71 -0.42 0.12 -0.11 0.27 -4.32 118.94 113.65 1djg s TRP 626 Ca 0.02 -0.47 0.07 0.00 1.22 0.00 0.00 56.10 56.94 1djg s TRP 626 Cb 0.08 -4.22 0.23 0.00 -1.50 0.00 0.00 33.47 28.07 1djg s TRP 626 CO 0.60 -1.57 0.58 0.54 -4.62 0.00 0.00 176.95 172.48 1djg n ARG 627 N 7.58 0.62 -1.62 5.86 1.74 -0.78 -4.74 116.66 125.31 1djg n ARG 627 Ca -0.03 -2.82 -0.45 0.00 -0.77 0.00 0.00 57.85 53.77 1djg n ARG 627 Cb 0.46 -1.36 -0.02 0.00 -1.02 0.00 0.00 32.46 30.51 1djg n ARG 627 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1djg n PRO 628 N 1.81 1.56 -4.26 5.56 -0.02 -1.24 -4.63 135.00 133.78 1djg n PRO 628 Ca 0.20 0.55 -0.15 0.00 -2.02 0.00 0.00 63.50 62.07 1djg n PRO 628 Cb 0.54 -2.03 -0.10 0.00 -0.02 0.00 0.00 33.50 31.89 1djg n PRO 628 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1djg s GLU 629 N -1.11 1.07 -0.23 -0.52 0.41 0.45 -4.79 118.70 113.99 1djg s GLU 629 Ca 0.63 -1.42 -0.04 0.00 -0.41 0.00 0.00 54.97 53.74 1djg s GLU 629 Cb -0.71 -0.72 -0.01 0.00 -1.78 0.00 0.00 34.13 30.91 1djg s GLU 629 CO 0.56 0.10 -0.03 1.03 -0.49 0.00 0.00 175.26 176.44 1djg s ARG 630 N -3.50 3.36 -0.10 1.61 0.52 -0.33 -1.42 118.95 119.09 1djg s ARG 630 Ca 0.15 -0.64 -0.00 0.00 -0.52 0.00 0.00 55.73 54.72 1djg s ARG 630 Cb 0.01 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.40 1djg s ARG 630 CO 0.02 -0.22 -0.08 -1.17 0.02 0.00 0.00 175.30 173.87 1djg s LEU 631 N 1.48 3.07 -0.07 2.53 2.96 0.06 -1.65 118.68 127.07 1djg s LEU 631 Ca 0.05 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.89 1djg s LEU 631 Cb -0.15 -1.69 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 1djg s LEU 631 CO -0.03 0.27 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.92 1djg s ARG 632 N -0.23 2.44 -0.07 1.98 0.52 -0.08 -0.35 118.95 123.15 1djg s ARG 632 Ca 0.03 -0.80 0.02 0.00 -0.52 0.00 0.00 55.73 54.45 1djg s ARG 632 Cb -0.13 -2.01 0.02 0.00 0.52 0.00 0.00 34.95 33.35 1djg s ARG 632 CO 0.03 0.28 -0.11 0.08 0.02 0.00 0.00 175.30 175.60 1djg s VAL 633 N 0.06 1.08 -0.20 3.52 1.01 -0.30 -1.71 120.40 123.85 1djg s VAL 633 Ca -0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1djg s VAL 633 Cb -0.14 -1.02 -0.00 0.00 0.00 0.00 0.00 36.38 35.22 1djg s VAL 633 CO 0.05 0.35 -0.09 -0.60 0.00 0.00 0.00 175.10 174.81 1djg s ARG 634 N 0.90 3.28 -0.42 2.72 3.52 -0.64 -0.56 118.95 127.76 1djg s ARG 634 Ca -0.10 -0.68 -0.20 0.00 -0.13 0.00 0.00 55.73 54.62 1djg s ARG 634 Cb -0.15 -2.87 0.02 0.00 -1.56 0.00 0.00 34.95 30.38 1djg s ARG 634 CO 0.01 -0.18 0.59 0.42 -0.81 0.00 0.00 175.30 175.33 1djg s ILE 635 N 1.36 4.90 -0.07 4.11 -1.09 0.49 -2.47 121.20 128.43 1djg s ILE 635 Ca 0.05 0.10 -0.04 0.00 -2.23 0.00 0.00 60.65 58.53 1djg s ILE 635 Cb -0.14 -4.13 -0.01 0.00 -1.58 0.00 0.00 42.46 36.59 1djg s ILE 635 CO -0.05 -0.49 -0.08 0.40 -1.23 0.00 0.00 174.94 173.48 1djg h ILE 636 N 5.80 0.00 -3.84 2.92 2.04 -1.59 0.32 117.51 123.16 1djg h ILE 636 Ca -0.26 -0.52 -0.11 0.00 1.00 0.00 0.00 64.86 64.97 1djg h ILE 636 Cb 1.10 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 37.09 1djg h ILE 636 CO 0.86 0.00 -0.19 -0.94 0.00 0.00 0.00 178.15 177.87 1djg s SER 637 N -4.61 0.09 0.09 1.72 1.04 -1.15 0.18 113.70 111.06 1djg s SER 637 Ca -0.07 -1.08 0.09 0.00 0.48 0.00 0.00 55.95 55.38 1djg s SER 637 Cb 0.01 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 1djg s SER 637 CO 0.10 -1.13 -0.24 -0.83 0.98 0.00 0.00 173.24 172.11 1djg s GLY 638 N -3.07 1.38 -0.18 7.32 0.00 0.10 0.06 107.32 112.92 1djg s GLY 638 Ca 0.26 -1.30 0.01 0.00 0.00 0.00 0.00 44.72 43.68 1djg s GLY 638 CO 0.11 -1.26 -0.15 1.20 0.00 0.00 0.00 173.10 173.00 1djg s GLN 639 N -1.72 2.45 -1.24 2.90 1.11 -0.18 -2.89 119.66 120.08 1djg s GLN 639 Ca 0.10 -0.80 -0.04 0.00 0.01 0.00 0.00 55.36 54.64 1djg s GLN 639 Cb -0.10 -2.42 -0.01 0.00 -1.01 0.00 0.00 33.01 29.48 1djg s GLN 639 CO 0.04 -0.31 0.76 1.04 0.01 0.00 0.00 175.29 176.83 1djg n GLN 640 N 4.67 -4.21 -1.74 2.91 6.02 -0.46 -2.43 117.38 122.13 1djg n GLN 640 Ca -0.17 0.64 -0.42 0.00 -0.01 0.00 0.00 57.00 57.04 1djg n GLN 640 Cb 0.48 -5.16 -0.02 0.00 1.02 0.00 0.00 30.24 26.57 1djg n GLN 640 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1djg n LEU 641 N -4.13 4.36 -4.72 1.08 4.77 0.32 -4.09 117.00 114.60 1djg n LEU 641 Ca -0.24 1.14 -0.42 0.00 -0.03 0.00 0.00 56.01 56.45 1djg n LEU 641 Cb 0.66 -1.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.13 1djg n LEU 641 CO 0.66 0.18 1.32 -0.81 -1.33 0.00 0.00 177.39 177.42 1djg n PRO 642 N 2.40 2.72 -2.44 3.23 -0.05 -1.26 -4.78 135.00 134.81 1djg n PRO 642 Ca 0.09 0.98 -0.43 0.00 -0.05 0.00 0.00 63.50 64.10 1djg n PRO 642 Cb 0.37 -2.80 -0.02 0.00 -0.05 0.00 0.00 33.50 30.99 1djg n PRO 642 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 175.50 175.66 1djg s LYS 643 N 0.62 3.53 -0.06 0.54 2.47 -1.26 -4.94 119.74 120.64 1djg s LYS 643 Ca 0.72 0.67 -0.00 0.00 -1.56 0.00 0.00 55.97 55.79 1djg s LYS 643 Cb -0.51 -4.02 -0.03 0.00 -1.46 0.00 0.00 37.83 31.80 1djg s LYS 643 CO 0.38 -1.63 -0.03 0.08 0.16 0.00 0.00 175.35 174.31 1djg s VAL 644 N 5.32 4.05 -1.45 4.02 1.01 -1.26 -4.73 120.40 127.36 1djg s VAL 644 Ca 0.54 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 1djg s VAL 644 Cb -0.11 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.58 1djg s VAL 644 CO 0.30 0.56 0.24 0.59 0.00 0.00 0.00 175.10 176.79 1djg n ASN 645 N 2.04 -0.38 -3.64 3.32 3.02 -1.26 -4.95 115.26 113.41 1djg n ASN 645 Ca -0.18 -1.21 -0.07 0.00 -0.03 0.00 0.00 54.58 53.10 1djg n ASN 645 Cb 0.53 -2.03 -0.07 0.00 -0.61 0.00 0.00 39.78 37.60 1djg n ASN 645 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1djg s LYS 646 N -7.14 0.59 -0.09 3.52 2.20 -1.26 -5.07 119.74 112.49 1djg s LYS 646 Ca 0.10 0.92 0.09 0.00 -0.36 0.00 0.00 55.97 56.72 1djg s LYS 646 Cb -0.05 0.16 -0.24 0.00 -1.51 0.00 0.00 37.83 36.20 1djg s LYS 646 CO 0.96 -0.11 0.50 0.09 -0.36 0.00 0.00 175.35 176.43 1djg n ASN 647 N 3.63 1.07 -4.76 1.43 3.02 -1.26 -4.98 115.26 113.41 1djg n ASN 647 Ca -0.18 0.30 -0.27 0.00 -0.03 0.00 0.00 54.58 54.41 1djg n ASN 647 Cb 0.58 -0.12 0.10 0.00 -0.61 0.00 0.00 39.78 39.73 1djg n ASN 647 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1djg s LYS 648 N -2.57 1.84 0.00 3.52 -2.85 -1.26 -4.91 119.74 113.50 1djg s LYS 648 Ca -0.10 -0.31 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 1djg s LYS 648 Cb 0.07 -2.09 0.00 0.00 -2.06 0.00 0.00 37.83 33.75 1djg s LYS 648 CO 0.81 -1.52 0.00 0.27 0.10 0.00 0.00 175.35 175.01 1djg n ASN 649 N -3.12 0.00 -4.88 0.03 0.23 -1.26 -4.77 115.26 101.48 1djg n ASN 649 Ca 0.10 -0.70 -0.32 0.00 -0.53 0.00 0.00 54.58 53.13 1djg n ASN 649 Cb 0.60 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.25 1djg n ASN 649 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1djg s SER 650 N 1.48 6.58 -0.00 0.53 0.15 -1.26 -5.08 113.70 116.10 1djg s SER 650 Ca 0.00 0.78 0.07 0.00 0.70 0.00 0.00 55.95 57.50 1djg s SER 650 Cb 0.00 -2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 62.12 1djg s SER 650 CO 0.00 0.02 -0.21 -0.63 1.20 0.00 0.00 173.24 173.62 1djg s ILE 651 N -1.68 2.52 0.56 6.45 -1.09 -1.26 -5.04 121.20 121.66 1djg s ILE 651 Ca 0.42 -1.07 -0.21 0.00 -2.23 0.00 0.00 60.65 57.57 1djg s ILE 651 Cb -0.12 -1.97 -0.04 0.00 -1.58 0.00 0.00 42.46 38.74 1djg s ILE 651 CO 0.22 0.49 1.28 -0.69 -1.23 0.00 0.00 174.94 175.01 1djg s VAL 652 N -0.75 2.36 -0.61 2.92 1.01 -1.26 -4.54 120.40 119.53 1djg s VAL 652 Ca 0.12 0.25 0.06 0.00 0.00 0.00 0.00 61.98 62.41 1djg s VAL 652 Cb -0.10 -3.12 0.23 0.00 0.00 0.00 0.00 36.38 33.39 1djg s VAL 652 CO 0.01 -0.02 0.65 0.47 0.00 0.00 0.00 175.10 176.21 1djg n ASP 653 N -1.20 2.92 -4.77 3.32 8.00 -1.26 -0.88 116.55 122.68 1djg n ASP 653 Ca 0.11 -3.25 -0.38 0.00 0.71 0.00 0.00 54.79 51.98 1djg n ASP 653 Cb 0.47 -0.68 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 1djg n ASP 653 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1djg s PRO 654 N -1.99 4.01 0.09 -0.24 0.04 -0.95 -1.03 135.00 134.93 1djg s PRO 654 Ca 0.36 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 63.24 1djg s PRO 654 Cb 0.11 -2.66 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 1djg s PRO 654 CO -0.06 -0.37 0.08 -1.59 0.04 0.00 0.00 177.00 175.10 1djg s LYS 655 N -2.32 0.80 -0.02 4.56 -2.85 -0.85 -0.91 119.74 118.14 1djg s LYS 655 Ca 0.58 -1.20 0.03 0.00 -1.00 0.00 0.00 55.97 54.38 1djg s LYS 655 Cb -0.32 0.27 -0.00 0.00 -2.06 0.00 0.00 37.83 35.72 1djg s LYS 655 CO 0.40 -0.22 -0.11 0.08 0.10 0.00 0.00 175.35 175.60 1djg s VAL 656 N -3.94 0.90 -0.07 1.79 1.01 -1.26 -1.99 120.40 116.84 1djg s VAL 656 Ca 0.11 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1djg s VAL 656 Cb 0.07 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 35.65 1djg s VAL 656 CO -0.07 0.27 -0.16 -0.63 0.00 0.00 0.00 175.10 174.51 1djg s ILE 657 N 0.02 2.85 -0.16 2.22 1.01 0.73 -0.37 121.20 127.50 1djg s ILE 657 Ca -0.01 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1djg s ILE 657 Cb -0.07 -2.12 0.02 0.00 0.01 0.00 0.00 42.46 40.29 1djg s ILE 657 CO 0.00 0.57 -0.20 -0.69 0.00 0.00 0.00 174.94 174.62 1djg s VAL 658 N -0.34 1.97 0.06 2.92 1.01 -0.09 -0.52 120.40 125.41 1djg s VAL 658 Ca 0.03 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.19 1djg s VAL 658 Cb -0.13 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1djg s VAL 658 CO 0.02 0.53 -0.23 -1.61 0.00 0.00 0.00 175.10 173.82 1djg s GLU 659 N 1.12 1.44 -0.18 2.72 2.02 0.20 -1.18 118.70 124.84 1djg s GLU 659 Ca -0.00 -1.06 -0.04 0.00 0.02 0.00 0.00 54.97 53.90 1djg s GLU 659 Cb -0.14 -1.63 -0.02 0.00 0.10 0.00 0.00 34.13 32.44 1djg s GLU 659 CO -0.08 0.41 -0.04 0.42 0.02 0.00 0.00 175.26 175.99 1djg s ILE 660 N -0.88 3.69 -0.10 -1.63 -1.09 -0.22 0.13 121.20 121.10 1djg s ILE 660 Ca 0.09 -0.41 0.03 0.00 -2.23 0.00 0.00 60.65 58.12 1djg s ILE 660 Cb -0.09 -2.64 -0.01 0.00 -1.58 0.00 0.00 42.46 38.13 1djg s ILE 660 CO 0.03 0.46 -0.18 -1.00 -1.23 0.00 0.00 174.94 173.01 1djg s HIS 661 N 0.82 2.66 -0.57 3.97 3.76 0.56 -2.07 115.29 124.42 1djg s HIS 661 Ca -0.01 -0.68 0.00 0.00 -0.15 0.00 0.00 55.06 54.22 1djg s HIS 661 Cb -0.15 -1.73 0.00 0.00 1.11 0.00 0.00 32.58 31.81 1djg s HIS 661 CO 0.02 -0.20 0.00 0.41 -0.85 0.00 0.00 174.74 174.11 1djg n GLY 662 N 3.23 -0.85 3.71 -2.22 0.00 -1.26 0.47 105.19 108.28 1djg n GLY 662 Ca -0.18 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1djg n GLY 662 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1djg s VAL 663 N -4.00 2.24 0.27 1.61 -7.23 -1.26 -4.69 120.40 107.33 1djg s VAL 663 Ca 0.00 0.11 -0.02 0.00 -1.81 0.00 0.00 61.98 60.25 1djg s VAL 663 Cb 0.00 -2.56 0.29 0.00 0.56 0.00 0.00 36.38 34.67 1djg s VAL 663 CO 0.00 -0.07 1.65 1.23 -0.31 0.00 0.00 175.10 177.60 1djg h GLY 664 N -0.70 1.13 2.00 2.32 0.00 -1.98 -0.04 103.07 105.80 1djg h GLY 664 Ca -0.46 0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1djg h GLY 664 CO 0.48 -0.31 0.00 0.07 0.00 0.00 0.00 176.54 176.78 1djg h ARG 665 N 0.19 0.00 0.00 4.80 0.11 -1.89 -2.91 114.38 114.69 1djg h ARG 665 Ca 0.48 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.56 1djg h ARG 665 Cb 0.91 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.99 1djg h ARG 665 CO -0.63 0.00 -1.32 -0.25 0.10 0.00 0.00 179.97 177.87 1djg n ASP 666 N -2.63 0.53 -4.74 0.08 8.00 -0.06 -4.92 116.55 112.81 1djg n ASP 666 Ca 0.01 0.09 -0.42 0.00 0.71 0.00 0.00 54.79 55.19 1djg n ASP 666 Cb 0.26 1.02 -0.02 0.00 -0.02 0.00 0.00 41.12 42.35 1djg n ASP 666 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1djg s THR 667 N -3.37 2.39 0.18 -3.53 -4.23 -1.03 -4.74 115.64 101.30 1djg s THR 667 Ca -0.02 0.31 -0.19 0.00 -1.18 0.00 0.00 61.69 60.62 1djg s THR 667 Cb 0.12 -3.20 0.04 0.00 1.34 0.00 0.00 72.50 70.80 1djg s THR 667 CO 0.83 0.05 0.53 -0.83 -0.54 0.00 0.00 174.62 174.65 1djg s GLY 668 N 0.57 -0.26 -0.08 3.99 0.00 -0.88 -4.97 107.32 105.69 1djg s GLY 668 Ca 0.63 -0.02 -0.14 0.00 0.00 0.00 0.00 44.72 45.20 1djg s GLY 668 CO 0.43 -0.16 0.34 -0.45 0.00 0.00 0.00 173.10 173.26 1djg s SER 669 N -2.83 -0.30 0.04 1.64 0.15 -1.26 -1.06 113.70 110.08 1djg s SER 669 Ca 0.06 0.44 -0.10 0.00 0.70 0.00 0.00 55.95 57.06 1djg s SER 669 Cb -0.01 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1djg s SER 669 CO -0.07 -0.28 0.20 -0.13 1.20 0.00 0.00 173.24 174.17 1djg s ARG 670 N -0.51 0.71 0.06 5.44 1.81 -0.32 -4.98 118.95 121.15 1djg s ARG 670 Ca -0.06 -0.63 0.03 0.00 -1.72 0.00 0.00 55.73 53.34 1djg s ARG 670 Cb -0.04 0.29 -0.03 0.00 -0.45 0.00 0.00 34.95 34.73 1djg s ARG 670 CO 0.02 -0.21 -0.08 1.14 -0.68 0.00 0.00 175.30 175.49 1djg s GLN 671 N -2.62 0.63 0.85 3.54 -2.07 -1.26 -0.91 119.66 117.82 1djg s GLN 671 Ca -0.05 -0.91 -0.09 0.00 -1.82 0.00 0.00 55.36 52.50 1djg s GLN 671 Cb -0.01 -0.35 0.16 0.00 -1.09 0.00 0.00 33.01 31.72 1djg s GLN 671 CO -0.04 0.06 1.17 0.95 -1.32 0.00 0.00 175.29 176.10 1djg s THR 672 N -1.82 2.06 0.93 3.63 -4.23 0.51 -4.98 115.64 111.73 1djg s THR 672 Ca -0.04 -0.27 -0.14 0.00 -1.18 0.00 0.00 61.69 60.06 1djg s THR 672 Cb -0.07 -2.80 0.19 0.00 1.34 0.00 0.00 72.50 71.16 1djg s THR 672 CO -0.00 0.00 1.28 0.00 -0.54 0.00 0.00 174.62 175.35 1djg s ALA 673 N -3.54 2.45 -0.14 3.99 0.00 -1.26 -4.56 121.76 118.70 1djg s ALA 673 Ca 0.70 -1.28 -0.09 0.00 0.00 0.00 0.00 51.96 51.30 1djg s ALA 673 Cb -0.05 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1djg s ALA 673 CO 0.49 -2.29 0.16 0.08 0.00 0.00 0.00 175.76 174.19 1djg s VAL 674 N -3.78 5.45 -0.20 0.00 1.01 -1.26 -4.40 120.40 117.22 1djg s VAL 674 Ca 0.73 0.25 -0.08 0.00 0.00 0.00 0.00 61.98 62.88 1djg s VAL 674 Cb -0.04 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1djg s VAL 674 CO 0.52 0.56 0.08 -0.63 0.00 0.00 0.00 175.10 175.63 1djg s ILE 675 N -0.57 4.85 0.10 2.22 -1.09 -0.09 -4.97 121.20 121.64 1djg s ILE 675 Ca 0.14 -0.01 -0.18 0.00 -2.23 0.00 0.00 60.65 58.36 1djg s ILE 675 Cb -0.12 -3.21 -0.07 0.00 -1.58 0.00 0.00 42.46 37.48 1djg s ILE 675 CO 0.03 0.42 0.58 0.42 -1.23 0.00 0.00 174.94 175.16 1djg s THR 676 N 0.66 4.75 -1.08 2.92 -4.23 -1.26 -2.24 115.64 115.15 1djg s THR 676 Ca 0.04 1.15 -0.21 0.00 -1.18 0.00 0.00 61.69 61.49 1djg s THR 676 Cb -0.13 -3.86 0.01 0.00 1.34 0.00 0.00 72.50 69.86 1djg s THR 676 CO 0.01 0.47 0.72 0.59 -0.54 0.00 0.00 174.62 175.87 1djg n ASN 677 N 1.46 -5.04 -3.15 3.99 3.02 -1.00 -4.95 115.26 109.58 1djg n ASN 677 Ca -0.09 -1.04 0.04 0.00 -0.03 0.00 0.00 54.58 53.47 1djg n ASN 677 Cb 0.51 -2.66 -0.01 0.00 -0.61 0.00 0.00 39.78 37.01 1djg n ASN 677 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1djg s ASN 678 N -3.37 -1.10 0.00 6.41 3.84 -0.06 -4.90 114.94 115.76 1djg s ASN 678 Ca 0.37 0.69 0.00 0.00 0.21 0.00 0.00 52.86 54.13 1djg s ASN 678 Cb -0.17 1.92 0.00 0.00 -0.55 0.00 0.00 41.25 42.46 1djg s ASN 678 CO 0.90 -0.21 0.10 0.61 -2.79 0.00 0.00 177.10 175.71 1djg n GLY 679 N 5.44 0.51 0.14 1.21 0.00 -1.26 -4.20 105.19 107.04 1djg n GLY 679 Ca -0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 1djg n GLY 679 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1djg h PHE 680 N 0.00 0.71 0.00 1.61 3.57 -1.86 0.95 116.94 121.91 1djg h PHE 680 Ca 0.00 -0.46 -0.20 0.00 3.53 0.00 0.00 57.97 60.84 1djg h PHE 680 Cb 0.01 -0.05 -0.14 0.00 2.79 0.00 0.00 35.95 38.56 1djg h PHE 680 CO 0.00 1.32 -0.28 0.27 -2.23 0.00 0.00 178.31 177.39 1djg n ASN 681 N -3.68 -1.87 -4.74 0.41 6.94 -1.24 -1.35 115.26 109.73 1djg n ASN 681 Ca -0.10 -2.61 -0.38 0.00 -0.02 0.00 0.00 54.58 51.47 1djg n ASN 681 Cb 0.96 1.24 0.05 0.00 -2.36 0.00 0.00 39.78 39.68 1djg n ASN 681 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 1djg s PRO 682 N 0.19 2.84 -0.09 -0.53 0.04 -1.14 -4.73 135.00 131.58 1djg s PRO 682 Ca 0.19 2.15 -0.00 0.00 0.04 0.00 0.00 61.00 63.38 1djg s PRO 682 Cb 0.32 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.85 1djg s PRO 682 CO -0.08 -1.40 -0.06 0.50 0.04 0.00 0.00 177.00 176.00 1djg s ARG 683 N -3.16 1.22 -0.15 4.56 3.52 -1.26 0.00 118.95 123.69 1djg s ARG 683 Ca 0.77 -0.16 -0.01 0.00 -0.13 0.00 0.00 55.73 56.20 1djg s ARG 683 Cb -0.39 -1.31 -0.09 0.00 -1.56 0.00 0.00 34.95 31.61 1djg s ARG 683 CO 0.43 -0.21 -0.15 0.91 -0.81 0.00 0.00 175.30 175.47 1djg n TRP 684 N 4.72 0.00 -4.01 5.12 8.01 0.47 -4.95 117.44 126.80 1djg n TRP 684 Ca -0.14 0.00 -0.27 0.00 -1.31 0.00 0.00 57.50 55.78 1djg n TRP 684 Cb 0.50 -0.56 -0.03 0.00 -2.01 0.00 0.00 31.31 29.21 1djg n TRP 684 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1djg n ASP 685 N -3.12 -0.38 -4.30 -0.99 8.00 0.60 -4.96 116.55 111.40 1djg n ASP 685 Ca -0.27 -1.07 -0.30 0.00 0.71 0.00 0.00 54.79 53.86 1djg n ASP 685 Cb 0.76 -2.76 -0.16 0.00 -0.02 0.00 0.00 41.12 38.94 1djg n ASP 685 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 1djg s MET 686 N -6.70 2.03 -0.05 -1.24 1.75 0.90 -4.92 119.30 111.06 1djg s MET 686 Ca 0.03 -0.91 0.04 0.00 -1.25 0.00 0.00 55.69 53.61 1djg s MET 686 Cb -0.01 -1.97 -0.00 0.00 2.84 0.00 0.00 34.83 35.68 1djg s MET 686 CO 0.91 0.54 -0.18 -2.00 -0.65 0.00 0.00 175.02 173.64 1djg s GLU 687 N -0.63 1.98 0.16 4.11 2.12 -1.26 0.18 118.70 125.37 1djg s GLU 687 Ca 0.10 -0.66 0.09 0.00 0.36 0.00 0.00 54.97 54.86 1djg s GLU 687 Cb -0.10 -1.69 -0.04 0.00 0.26 0.00 0.00 34.13 32.56 1djg s GLU 687 CO -0.01 0.24 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.73 1djg s PHE 688 N 0.07 2.52 -0.06 5.30 0.08 0.28 -4.95 117.98 121.22 1djg s PHE 688 Ca -0.06 -0.27 0.02 0.00 0.12 0.00 0.00 56.93 56.75 1djg s PHE 688 Cb -0.13 -1.28 0.01 0.00 -0.57 0.00 0.00 43.02 41.06 1djg s PHE 688 CO 0.03 0.46 -0.12 -2.00 -0.10 0.00 0.00 175.22 173.49 1djg s GLU 689 N -2.51 1.58 0.13 0.44 -6.30 -1.26 -1.15 118.70 109.62 1djg s GLU 689 Ca 0.21 -0.39 0.09 0.00 -2.50 0.00 0.00 54.97 52.38 1djg s GLU 689 Cb -0.09 -1.33 -0.04 0.00 0.00 0.00 0.00 34.13 32.67 1djg s GLU 689 CO 0.12 0.04 -0.22 -0.06 0.02 0.00 0.00 175.26 175.16 1djg s PHE 690 N 0.61 1.95 -0.20 5.30 0.08 0.52 -4.97 117.98 121.26 1djg s PHE 690 Ca -0.13 -0.41 -0.06 0.00 0.12 0.00 0.00 56.93 56.45 1djg s PHE 690 Cb -0.15 -1.04 -0.03 0.00 -0.57 0.00 0.00 43.02 41.24 1djg s PHE 690 CO 0.03 0.28 0.03 -2.00 -0.10 0.00 0.00 175.22 173.46 1djg s GLU 691 N -2.17 3.70 -0.23 0.44 2.12 -1.26 -0.76 118.70 120.54 1djg s GLU 691 Ca 0.11 -0.48 0.02 0.00 0.36 0.00 0.00 54.97 54.98 1djg s GLU 691 Cb -0.09 -3.15 0.05 0.00 0.26 0.00 0.00 34.13 31.20 1djg s GLU 691 CO 0.06 0.04 -0.10 0.08 -0.54 0.00 0.00 175.26 174.79 1djg s VAL 692 N 0.96 1.88 -0.34 3.70 1.01 -0.50 -4.83 120.40 122.27 1djg s VAL 692 Ca 0.02 -1.32 0.23 0.00 0.00 0.00 0.00 61.98 60.91 1djg s VAL 692 Cb -0.14 -1.99 0.18 0.00 0.00 0.00 0.00 36.38 34.43 1djg s VAL 692 CO 0.02 0.06 1.35 0.71 0.00 0.00 0.00 175.10 177.24 1djg h THR 693 N 6.58 0.02 -2.03 3.92 1.35 -1.86 0.13 112.91 121.02 1djg h THR 693 Ca -0.23 -1.03 -0.53 0.00 -0.55 0.00 0.00 66.41 64.07 1djg h THR 693 Cb 1.07 1.79 -0.40 0.00 -1.73 0.00 0.00 68.15 68.88 1djg h THR 693 CO 0.47 0.01 -1.08 0.52 -0.25 0.00 0.00 175.52 175.19 1djg n VAL 694 N -2.92 -0.06 0.32 6.82 0.31 -1.26 -1.87 118.33 119.67 1djg n VAL 694 Ca 0.02 -4.41 0.20 0.00 -0.01 0.00 0.00 64.34 60.14 1djg n VAL 694 Cb 0.54 -1.29 1.05 0.00 -0.91 0.00 0.00 33.84 33.24 1djg n VAL 694 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1djg h PRO 695 N 3.57 0.00 0.00 5.55 0.13 -1.81 -0.95 132.00 138.48 1djg h PRO 695 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1djg h PRO 695 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1djg h PRO 695 CO 0.52 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.04 1djg n ASP 696 N -3.15 0.55 -0.24 1.44 8.00 -1.26 -2.06 116.55 119.83 1djg n ASP 696 Ca -0.02 0.64 0.03 0.00 0.71 0.00 0.00 54.79 56.15 1djg n ASP 696 Cb 0.19 -0.76 0.03 0.00 -0.02 0.00 0.00 41.12 40.57 1djg n ASP 696 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1djg n LEU 697 N -2.11 1.65 -4.90 0.64 4.77 -0.37 -4.82 117.00 111.86 1djg n LEU 697 Ca 0.02 -1.19 -0.30 0.00 -0.03 0.00 0.00 56.01 54.51 1djg n LEU 697 Cb 0.21 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1djg n LEU 697 CO 0.18 0.37 0.18 0.00 -1.33 0.00 0.00 177.39 176.78 1djg s ALA 698 N -0.56 3.64 0.03 -1.18 0.00 -0.87 -4.34 121.76 118.48 1djg s ALA 698 Ca 0.07 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.56 1djg s ALA 698 Cb 0.05 -2.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.85 1djg s ALA 698 CO 0.07 0.37 -0.08 -0.51 0.00 0.00 0.00 175.76 175.62 1djg s LEU 699 N -3.24 2.20 -0.16 0.00 1.02 0.18 -0.87 118.68 117.81 1djg s LEU 699 Ca 0.44 -0.45 -0.01 0.00 0.02 0.00 0.00 54.13 54.13 1djg s LEU 699 Cb -0.11 -0.21 -0.01 0.00 0.02 0.00 0.00 46.19 45.89 1djg s LEU 699 CO 0.27 -0.14 -0.12 -0.69 0.02 0.00 0.00 176.35 175.70 1djg s VAL 700 N -1.09 3.01 -0.04 -1.59 1.01 0.06 -0.32 120.40 121.44 1djg s VAL 700 Ca -0.07 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.32 1djg s VAL 700 Cb -0.08 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 1djg s VAL 700 CO 0.00 0.50 -0.24 -0.60 0.00 0.00 0.00 175.10 174.77 1djg s ARG 701 N 0.73 2.40 -0.21 2.72 3.52 0.36 -0.72 118.95 127.76 1djg s ARG 701 Ca -0.05 -0.88 -0.03 0.00 -0.13 0.00 0.00 55.73 54.63 1djg s ARG 701 Cb -0.15 -2.16 -0.01 0.00 -1.56 0.00 0.00 34.95 31.08 1djg s ARG 701 CO 0.02 0.47 -0.06 -0.06 -0.81 0.00 0.00 175.30 174.86 1djg s PHE 702 N -0.38 2.94 -0.06 5.12 0.40 0.92 0.59 117.98 127.50 1djg s PHE 702 Ca 0.03 -0.99 0.03 0.00 -0.60 0.00 0.00 56.93 55.40 1djg s PHE 702 Cb -0.12 -2.08 0.01 0.00 0.51 0.00 0.00 43.02 41.34 1djg s PHE 702 CO 0.02 -0.56 -0.15 1.41 0.70 0.00 0.00 175.22 176.63 1djg s MET 703 N 1.41 1.89 -0.22 0.44 1.75 0.32 -1.01 119.30 123.89 1djg s MET 703 Ca 0.05 -0.54 -0.05 0.00 -1.25 0.00 0.00 55.69 53.90 1djg s MET 703 Cb -0.14 -1.56 -0.02 0.00 2.84 0.00 0.00 34.83 35.95 1djg s MET 703 CO -0.04 0.12 0.01 0.08 -0.65 0.00 0.00 175.02 174.54 1djg s VAL 704 N 0.39 3.91 0.24 10.11 1.01 0.38 -0.19 120.40 136.26 1djg s VAL 704 Ca -0.11 -0.32 0.10 0.00 0.00 0.00 0.00 61.98 61.65 1djg s VAL 704 Cb -0.14 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1djg s VAL 704 CO 0.04 0.40 -0.05 -1.61 0.00 0.00 0.00 175.10 173.88 1djg s GLU 705 N 1.30 2.17 -0.27 2.72 2.02 -0.84 -0.04 118.70 125.76 1djg s GLU 705 Ca 0.04 -1.41 -0.09 0.00 0.02 0.00 0.00 54.97 53.53 1djg s GLU 705 Cb -0.15 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 1djg s GLU 705 CO 0.01 0.38 0.12 0.34 0.02 0.00 0.00 175.26 176.14 1djg s ASP 706 N -3.43 5.48 0.13 -0.19 2.15 0.17 -2.02 116.67 118.97 1djg s ASP 706 Ca 0.30 -0.24 -0.30 0.00 0.43 0.00 0.00 52.55 52.73 1djg s ASP 706 Cb -0.07 -2.00 -0.07 0.00 -0.30 0.00 0.00 42.92 40.48 1djg s ASP 706 CO 0.18 -0.08 1.23 -0.47 -0.17 0.00 0.00 175.17 175.86 1djg s TYR 707 N 1.65 3.40 -0.06 -5.34 5.04 -0.20 -1.92 117.35 119.93 1djg s TYR 707 Ca 0.06 1.30 -0.01 0.00 -2.44 0.00 0.00 57.07 55.98 1djg s TYR 707 Cb -0.16 -3.47 0.03 0.00 0.35 0.00 0.00 41.96 38.71 1djg s TYR 707 CO 0.06 -1.44 0.00 -0.51 -1.34 0.00 0.00 175.55 172.33 1djg s ASP 708 N 0.64 1.26 0.11 4.32 1.01 -1.26 -4.63 116.67 118.12 1djg s ASP 708 Ca 0.57 -0.07 -0.13 0.00 0.71 0.00 0.00 52.55 53.64 1djg s ASP 708 Cb -0.32 -0.38 -0.12 0.00 1.01 0.00 0.00 42.92 43.11 1djg s ASP 708 CO 0.33 -0.16 1.35 0.77 0.21 0.00 0.00 175.17 177.67 1djg h SER 709 N 8.00 0.94 0.62 0.27 4.64 -1.96 -3.25 113.55 122.80 1djg h SER 709 Ca -0.25 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 60.49 1djg h SER 709 Cb 1.13 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1djg h SER 709 CO 0.31 1.35 -0.37 -1.54 -0.87 0.00 0.00 176.83 175.72 1djg n SER 710 N -4.01 0.38 -0.94 4.97 3.41 -1.26 -4.98 113.62 111.20 1djg n SER 710 Ca -0.06 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1djg n SER 710 Cb 0.67 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1djg n SER 710 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1djg n SER 711 N -1.48 0.10 -4.73 4.04 3.41 -1.23 -5.13 113.62 108.60 1djg n SER 711 Ca 0.06 -0.90 -0.41 0.00 -0.26 0.00 0.00 58.87 57.37 1djg n SER 711 Cb 0.34 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 1djg n SER 711 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1djg s LYS 712 N -1.69 4.60 0.05 4.33 2.47 -1.26 -4.57 119.74 123.67 1djg s LYS 712 Ca 0.00 1.27 -0.30 0.00 -1.56 0.00 0.00 55.97 55.37 1djg s LYS 712 Cb 0.00 -3.38 -0.08 0.00 -1.46 0.00 0.00 37.83 32.91 1djg s LYS 712 CO 0.00 0.22 1.67 -0.80 0.16 0.00 0.00 175.35 176.60 1djg s ASN 713 N 0.06 6.61 0.56 1.43 0.01 -1.26 -4.73 114.94 117.62 1djg s ASN 713 Ca 0.43 2.45 -0.20 0.00 -0.71 0.00 0.00 52.86 54.84 1djg s ASN 713 Cb -0.22 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 38.84 1djg s ASN 713 CO 0.26 -0.90 1.17 -1.81 -1.51 0.00 0.00 177.10 174.32 1djg s ASP 714 N 2.67 5.52 0.19 -1.22 1.01 -0.81 -4.70 116.67 119.34 1djg s ASP 714 Ca 0.74 2.30 -0.24 0.00 0.71 0.00 0.00 52.55 56.07 1djg s ASP 714 Cb -0.39 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 40.87 1djg s ASP 714 CO 0.32 -1.36 0.77 0.12 0.21 0.00 0.00 175.17 175.23 1djg s PHE 715 N -1.66 3.83 -0.12 4.23 2.19 -1.26 0.46 117.98 125.65 1djg s PHE 715 Ca 0.74 1.58 -0.06 0.00 0.33 0.00 0.00 56.93 59.52 1djg s PHE 715 Cb -0.28 -2.74 -0.05 0.00 -1.31 0.00 0.00 43.02 38.64 1djg s PHE 715 CO 0.31 0.45 -0.15 -0.89 1.83 0.00 0.00 175.22 176.77 1djg n ILE 716 N 1.31 0.66 -3.62 3.12 5.41 0.94 -4.81 119.36 122.37 1djg n ILE 716 Ca -0.04 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.54 1djg n ILE 716 Cb 0.49 -1.62 -0.01 0.00 -0.71 0.00 0.00 39.64 37.79 1djg n ILE 716 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1djg s GLY 717 N -5.21 -0.39 0.22 7.39 0.00 -1.11 -4.74 107.32 103.48 1djg s GLY 717 Ca -0.17 0.81 -0.17 0.00 0.00 0.00 0.00 44.72 45.19 1djg s GLY 717 CO 0.21 0.18 0.55 1.62 0.00 0.00 0.00 173.10 175.67 1djg s GLN 718 N -2.47 1.49 -0.28 2.90 -0.44 -0.36 -0.47 119.66 120.03 1djg s GLN 718 Ca 0.13 -0.96 -0.20 0.00 -2.50 0.00 0.00 55.36 51.83 1djg s GLN 718 Cb 0.04 0.53 0.09 0.00 -1.64 0.00 0.00 33.01 32.02 1djg s GLN 718 CO -0.04 -0.64 0.75 0.45 0.50 0.00 0.00 175.29 176.32 1djg s SER 719 N -2.91 -0.80 -0.11 6.67 0.15 -0.18 0.20 113.70 116.72 1djg s SER 719 Ca 0.12 1.38 0.02 0.00 0.70 0.00 0.00 55.95 58.17 1djg s SER 719 Cb -0.02 1.36 0.01 0.00 -1.71 0.00 0.00 66.02 65.67 1djg s SER 719 CO 0.01 -0.23 -0.15 -0.89 1.20 0.00 0.00 173.24 173.18 1djg s THR 720 N 1.06 1.49 -0.13 6.45 2.01 -1.26 -0.06 115.64 125.20 1djg s THR 720 Ca -0.05 -0.64 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1djg s THR 720 Cb -0.05 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.12 1djg s THR 720 CO -0.11 0.44 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.49 1djg s ILE 721 N 0.97 1.50 0.39 1.82 1.01 0.11 -4.60 121.20 122.40 1djg s ILE 721 Ca -0.07 -0.60 -0.26 0.00 0.00 0.00 0.00 60.65 59.71 1djg s ILE 721 Cb -0.15 -1.40 -0.11 0.00 0.01 0.00 0.00 42.46 40.81 1djg s ILE 721 CO -0.01 0.44 1.30 -2.65 0.00 0.00 0.00 174.94 174.02 1djg n PRO 722 N 4.61 2.05 -0.19 2.79 -0.02 -1.26 -0.76 135.00 142.22 1djg n PRO 722 Ca -0.17 0.73 -0.07 0.00 -2.02 0.00 0.00 63.50 61.97 1djg n PRO 722 Cb 0.50 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1djg n PRO 722 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1djg h TRP 723 N 2.30 -1.06 0.00 6.00 2.91 -1.25 -0.85 115.95 123.99 1djg h TRP 723 Ca -0.48 0.07 0.00 0.00 1.13 0.00 0.00 58.89 59.62 1djg h TRP 723 Cb 1.29 0.54 0.00 0.00 -0.51 0.00 0.00 29.16 30.48 1djg h TRP 723 CO 0.49 -0.40 0.00 0.09 -1.03 0.00 0.00 178.44 177.59 1djg n ASN 724 N -5.42 0.00 0.00 2.65 3.02 -1.26 -1.53 115.26 112.72 1djg n ASN 724 Ca 0.03 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.89 1djg n ASN 724 Cb 0.35 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.52 1djg n ASN 724 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1djg n SER 725 N -0.67 0.86 -4.62 6.41 7.64 -0.34 -4.97 113.62 117.92 1djg n SER 725 Ca 0.03 -0.95 -0.43 0.00 1.01 0.00 0.00 58.87 58.53 1djg n SER 725 Cb 0.02 0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 1djg n SER 725 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1djg s LEU 726 N -0.17 3.79 0.47 -3.43 2.96 -0.58 0.04 118.68 121.76 1djg s LEU 726 Ca 0.00 1.16 -0.15 0.00 -0.22 0.00 0.00 54.13 54.92 1djg s LEU 726 Cb 0.00 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.08 1djg s LEU 726 CO 0.00 -1.23 0.91 -0.54 -1.32 0.00 0.00 176.35 174.17 1djg s LYS 727 N 4.51 3.91 0.37 1.98 -0.14 0.64 -4.92 119.74 126.09 1djg s LYS 727 Ca 0.61 0.80 0.07 0.00 -1.36 0.00 0.00 55.97 56.09 1djg s LYS 727 Cb -0.17 -2.23 -0.00 0.00 -1.68 0.00 0.00 37.83 33.75 1djg s LYS 727 CO 0.27 -0.18 0.52 -0.65 -0.76 0.00 0.00 175.35 174.55 1djg s GLN 728 N -3.93 3.01 1.44 1.68 -0.21 -1.26 -4.70 119.66 115.69 1djg s GLN 728 Ca 0.56 -1.06 0.00 0.00 0.02 0.00 0.00 55.36 54.88 1djg s GLN 728 Cb -0.10 -2.79 0.00 0.00 1.00 0.00 0.00 33.01 31.12 1djg s GLN 728 CO 0.30 -0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.81 1djg n GLY 729 N -1.74 -0.53 3.68 3.09 0.00 0.08 -4.59 105.19 105.18 1djg n GLY 729 Ca 0.03 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.15 1djg n GLY 729 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1djg s TYR 730 N 0.00 3.45 0.08 1.61 2.02 -1.26 -0.22 117.35 123.04 1djg s TYR 730 Ca 0.00 1.05 -0.09 0.00 -0.37 0.00 0.00 57.07 57.66 1djg s TYR 730 Cb 0.00 -2.80 0.00 0.00 -0.40 0.00 0.00 41.96 38.76 1djg s TYR 730 CO 0.00 -0.08 0.20 1.03 -1.57 0.00 0.00 175.55 175.13 1djg s ARG 731 N 1.51 0.84 -0.13 -0.62 1.81 0.50 -4.97 118.95 117.88 1djg s ARG 731 Ca 0.32 -0.91 -0.04 0.00 -1.72 0.00 0.00 55.73 53.38 1djg s ARG 731 Cb -0.16 0.34 -0.03 0.00 -0.45 0.00 0.00 34.95 34.65 1djg s ARG 731 CO 0.13 -0.27 0.01 -1.01 -0.68 0.00 0.00 175.30 173.48 1djg s HIS 732 N -3.71 3.17 -0.26 -0.53 3.76 -0.88 0.04 115.29 116.88 1djg s HIS 732 Ca 0.04 0.07 -0.14 0.00 -0.15 0.00 0.00 55.06 54.88 1djg s HIS 732 Cb 0.04 -1.90 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 1djg s HIS 732 CO -0.10 0.29 0.33 0.08 -0.85 0.00 0.00 174.74 174.49 1djg s VAL 733 N -0.31 5.21 -0.39 -0.90 1.01 0.14 -1.43 120.40 123.74 1djg s VAL 733 Ca 0.07 0.50 -0.22 0.00 0.00 0.00 0.00 61.98 62.32 1djg s VAL 733 Cb -0.12 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1djg s VAL 733 CO 0.02 0.20 0.74 -1.00 0.00 0.00 0.00 175.10 175.06 1djg s HIS 734 N 1.84 3.09 0.29 5.22 3.76 -1.26 -1.29 115.29 126.94 1djg s HIS 734 Ca 0.14 0.39 -0.29 0.00 -0.15 0.00 0.00 55.06 55.14 1djg s HIS 734 Cb -0.15 -3.40 -0.10 0.00 1.11 0.00 0.00 32.58 30.04 1djg s HIS 734 CO 0.09 -0.78 1.10 -0.51 -0.85 0.00 0.00 174.74 173.80 1djg s LEU 735 N 3.05 4.53 0.19 0.89 1.43 -0.88 -4.73 118.68 123.16 1djg s LEU 735 Ca 0.29 2.27 0.09 0.00 -1.03 0.00 0.00 54.13 55.76 1djg s LEU 735 Cb -0.13 -3.65 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1djg s LEU 735 CO 0.18 -0.17 -0.11 -0.76 0.23 0.00 0.00 176.35 175.72 1djg s LEU 736 N -1.51 2.91 0.93 1.79 1.43 0.13 -2.25 118.68 122.12 1djg s LEU 736 Ca 0.45 -0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 52.79 1djg s LEU 736 Cb -0.32 -1.59 0.15 0.00 0.03 0.00 0.00 46.19 44.47 1djg s LEU 736 CO 0.41 0.10 1.17 -0.94 0.23 0.00 0.00 176.35 177.32 1djg s SER 737 N -2.87 3.32 0.53 2.29 1.04 0.28 -1.22 113.70 117.07 1djg s SER 737 Ca 0.25 0.80 0.26 0.00 0.48 0.00 0.00 55.95 57.73 1djg s SER 737 Cb -0.08 -1.24 1.40 0.00 0.10 0.00 0.00 66.02 66.19 1djg s SER 737 CO 0.15 -2.65 1.98 0.50 0.98 0.00 0.00 173.24 174.19 1djg h LYS 738 N -1.57 0.02 -0.59 4.02 3.64 -1.90 0.55 116.57 120.73 1djg h LYS 738 Ca -0.48 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1djg h LYS 738 Cb 1.31 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1djg h LYS 738 CO 0.56 0.01 0.00 0.09 -2.27 0.00 0.00 179.45 177.84 1djg n ASN 739 N -4.36 3.25 0.00 4.20 3.02 -1.26 -4.51 115.26 115.60 1djg n ASN 739 Ca 0.11 -2.06 0.00 0.00 -0.03 0.00 0.00 54.58 52.61 1djg n ASN 739 Cb 0.66 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 1djg n ASN 739 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1djg n GLY 740 N 1.36 0.50 3.84 7.41 0.00 0.18 -5.01 105.19 113.46 1djg n GLY 740 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1djg n GLY 740 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1djg s ASP 741 N -2.02 6.53 0.21 1.61 1.01 -1.26 -4.73 116.67 118.02 1djg s ASP 741 Ca 0.00 1.60 -0.30 0.00 0.71 0.00 0.00 52.55 54.57 1djg s ASP 741 Cb 0.00 -2.51 -0.08 0.00 1.01 0.00 0.00 42.92 41.34 1djg s ASP 741 CO 0.00 -0.65 1.03 -1.10 0.21 0.00 0.00 175.17 174.65 1djg s GLN 742 N -4.05 4.70 -0.54 8.23 -1.52 -1.26 -0.55 119.66 124.67 1djg s GLN 742 Ca 0.60 1.62 -0.08 0.00 -1.95 0.00 0.00 55.36 55.55 1djg s GLN 742 Cb -0.11 -3.28 0.14 0.00 -0.22 0.00 0.00 33.01 29.55 1djg s GLN 742 CO 0.32 0.27 0.40 -1.01 -0.25 0.00 0.00 175.29 175.01 1djg s HIS 743 N -0.70 3.48 0.34 0.91 3.76 -0.95 -4.87 115.29 117.27 1djg s HIS 743 Ca 0.45 -2.13 0.14 0.00 -0.15 0.00 0.00 55.06 53.38 1djg s HIS 743 Cb -0.28 -3.45 1.10 0.00 1.11 0.00 0.00 32.58 31.07 1djg s HIS 743 CO 0.35 -0.96 1.62 -1.00 -0.85 0.00 0.00 174.74 173.89 1djg h PRO 744 N 8.03 0.13 -0.07 8.40 0.13 -1.94 -2.61 132.00 144.07 1djg h PRO 744 Ca -0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1djg h PRO 744 Cb 1.04 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1djg h PRO 744 CO 0.80 0.09 0.00 0.43 -0.23 0.00 0.00 178.00 179.09 1djg n SER 745 N -5.21 1.87 -4.62 1.44 7.64 -1.26 -4.97 113.62 108.50 1djg n SER 745 Ca 0.32 -1.52 -0.40 0.00 1.01 0.00 0.00 58.87 58.29 1djg n SER 745 Cb 1.04 -0.05 -0.08 0.00 -1.01 0.00 0.00 64.21 64.12 1djg n SER 745 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1djg s ALA 746 N -0.69 3.58 0.19 -0.43 0.00 -0.99 -4.45 121.76 118.97 1djg s ALA 746 Ca 0.09 -0.61 -0.05 0.00 0.00 0.00 0.00 51.96 51.39 1djg s ALA 746 Cb 0.06 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.32 1djg s ALA 746 CO 0.08 -0.66 0.22 0.95 0.00 0.00 0.00 175.76 176.36 1djg s THR 747 N 2.11 0.04 0.03 0.00 -4.23 -1.02 -2.07 115.64 110.50 1djg s THR 747 Ca 0.20 -1.72 0.08 0.00 -1.18 0.00 0.00 61.69 59.08 1djg s THR 747 Cb -0.16 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.46 1djg s THR 747 CO 0.09 -0.16 -0.24 -0.76 -0.54 0.00 0.00 174.62 173.01 1djg s LEU 748 N -3.06 2.14 -0.22 4.79 1.43 -0.41 -1.01 118.68 122.34 1djg s LEU 748 Ca 0.28 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1djg s LEU 748 Cb 0.05 -1.18 -0.02 0.00 0.03 0.00 0.00 46.19 45.06 1djg s LEU 748 CO 0.07 0.24 0.00 0.12 0.23 0.00 0.00 176.35 177.01 1djg s PHE 749 N -0.76 3.03 0.25 0.29 5.36 0.11 0.29 117.98 126.55 1djg s PHE 749 Ca 0.10 -0.56 0.02 0.00 -0.96 0.00 0.00 56.93 55.52 1djg s PHE 749 Cb -0.09 -2.12 -0.05 0.00 -0.34 0.00 0.00 43.02 40.41 1djg s PHE 749 CO 0.01 -0.34 0.07 0.14 -1.46 0.00 0.00 175.22 173.65 1djg s VAL 750 N 1.25 0.66 -0.11 3.12 -7.23 0.11 -1.73 120.40 116.46 1djg s VAL 750 Ca 0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.21 1djg s VAL 750 Cb -0.15 -2.56 0.02 0.00 0.56 0.00 0.00 36.38 34.25 1djg s VAL 750 CO 0.01 -0.08 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.86 1djg s LYS 751 N -4.00 1.83 0.06 4.82 2.20 -1.03 -0.37 119.74 123.26 1djg s LYS 751 Ca 0.35 -0.39 0.06 0.00 -0.36 0.00 0.00 55.97 55.63 1djg s LYS 751 Cb 0.08 -1.73 -0.04 0.00 -1.51 0.00 0.00 37.83 34.63 1djg s LYS 751 CO 0.12 -0.19 -0.11 0.42 -0.36 0.00 0.00 175.35 175.23 1djg s ILE 752 N 1.42 3.32 -0.15 5.43 1.01 0.70 -1.62 121.20 131.30 1djg s ILE 752 Ca 0.01 -1.11 -0.08 0.00 0.00 0.00 0.00 60.65 59.47 1djg s ILE 752 Cb -0.13 -2.49 0.06 0.00 0.01 0.00 0.00 42.46 39.91 1djg s ILE 752 CO -0.06 0.24 0.36 -0.55 0.00 0.00 0.00 174.94 174.92 1djg s SER 753 N -1.82 -0.35 -0.21 3.58 0.15 -0.70 -0.74 113.70 113.62 1djg s SER 753 Ca 0.19 0.78 0.02 0.00 0.70 0.00 0.00 55.95 57.64 1djg s SER 753 Cb -0.11 0.74 0.04 0.00 -1.71 0.00 0.00 66.02 64.97 1djg s SER 753 CO 0.10 -0.19 -0.15 -0.63 1.20 0.00 0.00 173.24 173.56 1djg s ILE 754 N 1.59 2.00 0.00 6.45 1.01 -1.26 -0.91 121.20 130.08 1djg s ILE 754 Ca -0.08 -1.16 0.00 0.00 0.00 0.00 0.00 60.65 59.41 1djg s ILE 754 Cb -0.10 -1.95 0.00 0.00 0.01 0.00 0.00 42.46 40.42 1djg s ILE 754 CO -0.11 0.29 0.00 0.00 0.00 0.00 0.00 174.94 175.12 1djg n GLN 755 N 4.58 1.06 0.00 2.79 10.64 -0.66 -4.96 117.38 130.83 1djg n GLN 755 Ca -0.17 0.00 0.12 0.00 -1.83 0.00 0.00 57.00 55.12 1djg n GLN 755 Cb 0.47 0.00 0.19 0.00 -0.86 0.00 0.00 30.24 30.04 1djg n GLN 755 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98