#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cey h ALA 174 N 0.00 1.26 -1.77 2.24 0.00 -2.11 -3.43 119.26 115.46 3cey h ALA 174 Ca 0.00 -0.29 -0.66 0.00 0.00 0.00 0.00 54.91 53.96 3cey h ALA 174 Cb 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 17.79 17.51 3cey h ALA 174 CO 0.00 0.49 0.37 -0.51 0.00 0.00 0.00 179.25 179.60 3cey s LEU 175 N -8.69 4.77 -0.45 0.00 1.43 -1.26 -4.97 118.68 109.51 3cey s LEU 175 Ca -0.06 -1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 51.80 3cey s LEU 175 Cb 0.14 -2.39 0.09 0.00 0.03 0.00 0.00 46.19 44.06 3cey s LEU 175 CO 0.77 -1.30 0.32 0.68 0.23 0.00 0.00 176.35 177.05 3cey s VAL 176 N 3.50 4.53 -1.66 -1.59 -7.23 -1.26 -4.88 120.40 111.81 3cey s VAL 176 Ca 0.18 -1.40 0.20 0.00 -1.81 0.00 0.00 61.98 59.15 3cey s VAL 176 Cb -0.20 -3.80 0.62 0.00 0.56 0.00 0.00 36.38 33.56 3cey s VAL 176 CO 0.09 -0.60 1.52 0.18 -0.31 0.00 0.00 175.10 175.98 3cey n LEU 177 N 5.01 3.98 0.00 1.32 4.32 -1.26 -5.06 117.00 125.31 3cey n LEU 177 Ca -0.11 -2.09 0.00 0.00 -0.02 0.00 0.00 56.01 53.79 3cey n LEU 177 Cb 0.42 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.75 3cey n LEU 177 CO 0.43 0.92 0.00 0.61 -1.22 0.00 0.00 177.39 178.13 3cey n GLY 178 N 1.39 0.60 3.70 -0.72 0.00 -1.26 -4.88 105.19 104.01 3cey n GLY 178 Ca 0.23 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 3cey n GLY 178 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3cey s PHE 179 N 0.00 3.33 -0.23 1.61 5.36 -1.26 -5.02 117.98 121.77 3cey s PHE 179 Ca 0.00 1.32 -0.06 0.00 -0.96 0.00 0.00 56.93 57.23 3cey s PHE 179 Cb 0.00 -3.37 -0.02 0.00 -0.34 0.00 0.00 43.02 39.29 3cey s PHE 179 CO 0.00 -1.06 0.03 0.34 -1.46 0.00 0.00 175.22 173.07 3cey s ASP 180 N 1.29 4.91 0.37 6.13 2.15 -1.26 -4.99 116.67 125.28 3cey s ASP 180 Ca 0.55 -0.23 0.15 0.00 0.43 0.00 0.00 52.55 53.45 3cey s ASP 180 Cb -0.25 -1.86 0.73 0.00 -0.30 0.00 0.00 42.92 41.24 3cey s ASP 180 CO 0.24 0.00 1.80 -0.50 -0.17 0.00 0.00 175.17 176.54 3cey h TRP 181 N 7.97 0.00 0.69 -5.34 4.06 -1.98 -2.65 115.95 118.70 3cey h TRP 181 Ca -0.38 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.53 3cey h TRP 181 Cb 1.17 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 29.34 3cey h TRP 181 CO 0.63 0.39 -0.33 0.78 -3.56 0.00 0.00 178.44 176.34 3cey h GLY 182 N 1.36 -0.97 0.56 1.49 0.00 -1.99 0.21 103.07 103.73 3cey h GLY 182 Ca -0.00 0.36 0.09 0.00 0.00 0.00 0.00 47.33 47.77 3cey h GLY 182 CO 0.05 -0.35 0.49 1.70 0.00 0.00 0.00 176.54 178.43 3cey h LYS 183 N -1.10 0.81 -0.48 4.80 3.64 -2.00 -2.00 116.57 120.25 3cey h LYS 183 Ca -0.09 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 3cey h LYS 183 Cb 0.74 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 3cey h LYS 183 CO 0.16 0.54 0.17 0.35 -2.27 0.00 0.00 179.45 178.39 3cey h PHE 184 N 0.84 0.75 0.08 1.91 3.57 -1.06 -1.88 116.94 121.15 3cey h PHE 184 Ca 0.40 -0.07 -0.27 0.00 3.53 0.00 0.00 57.97 61.56 3cey h PHE 184 Cb 0.33 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 38.86 3cey h PHE 184 CO -0.05 0.65 -1.14 -0.07 -2.23 0.00 0.00 178.31 175.47 3cey h LEU 185 N 0.63 0.61 0.71 0.59 3.38 -0.46 -3.04 115.31 117.74 3cey h LEU 185 Ca 0.16 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 3cey h LEU 185 Cb 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3cey h LEU 185 CO -0.01 1.39 -0.48 0.50 0.09 0.00 0.00 178.44 179.93 3cey h LYS 186 N 0.20 -1.10 -0.00 1.13 3.64 -1.34 -0.09 116.57 119.01 3cey h LYS 186 Ca -0.13 0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 3cey h LYS 186 Cb 1.81 0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 33.87 3cey h LYS 186 CO 0.20 -0.73 -0.32 -0.44 -2.27 0.00 0.00 179.45 175.89 3cey h ASP 187 N -1.14 0.01 0.03 4.20 5.19 -1.43 -2.35 116.42 120.93 3cey h ASP 187 Ca -0.09 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.31 3cey h ASP 187 Cb 0.93 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.44 3cey h ASP 187 CO 0.07 0.33 -0.41 1.41 -3.12 0.00 0.00 179.24 177.51 3cey n HIS 188 N -4.15 0.00 -2.92 4.55 8.25 -1.15 -4.97 115.22 114.83 3cey n HIS 188 Ca -0.02 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.23 3cey n HIS 188 Cb 0.37 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.47 3cey n HIS 188 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3cey n SER 189 N -0.08 -5.29 -4.80 0.41 7.64 -0.16 -4.97 113.62 106.36 3cey n SER 189 Ca 0.10 -0.20 -0.33 0.00 1.01 0.00 0.00 58.87 59.45 3cey n SER 189 Cb 0.45 -4.34 0.02 0.00 -1.01 0.00 0.00 64.21 59.33 3cey n SER 189 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3cey s TYR 190 N -3.03 2.97 -0.09 1.43 2.02 -0.51 -5.03 117.35 115.10 3cey s TYR 190 Ca 0.24 1.51 -0.02 0.00 -0.37 0.00 0.00 57.07 58.43 3cey s TYR 190 Cb -0.11 -3.01 -0.03 0.00 -0.40 0.00 0.00 41.96 38.40 3cey s TYR 190 CO 0.29 -1.17 -0.00 -1.59 -1.57 0.00 0.00 175.55 171.51 3cey s LYS 191 N -4.14 3.04 0.04 -0.62 -2.85 -1.26 -4.85 119.74 109.11 3cey s LYS 191 Ca 0.63 -0.42 -0.03 0.00 -1.00 0.00 0.00 55.97 55.15 3cey s LYS 191 Cb -0.16 -2.80 -0.04 0.00 -2.06 0.00 0.00 37.83 32.76 3cey s LYS 191 CO 0.38 0.66 0.24 0.00 0.10 0.00 0.00 175.35 176.73 3cey s ALA 192 N -0.76 3.93 0.20 0.59 0.00 -1.26 -0.59 121.76 123.86 3cey s ALA 192 Ca 0.12 -0.72 -0.31 0.00 0.00 0.00 0.00 51.96 51.05 3cey s ALA 192 Cb -0.12 -1.94 -0.10 0.00 0.00 0.00 0.00 23.12 20.96 3cey s ALA 192 CO 0.02 0.74 1.57 0.00 0.00 0.00 0.00 175.76 178.09 3cey s ALA 193 N -1.42 3.77 0.68 0.00 0.00 -0.48 -4.63 121.76 119.67 3cey s ALA 193 Ca 0.32 1.41 -0.14 0.00 0.00 0.00 0.00 51.96 53.55 3cey s ALA 193 Cb -0.13 -3.62 0.01 0.00 0.00 0.00 0.00 23.12 19.38 3cey s ALA 193 CO 0.22 -0.81 1.09 -1.25 0.00 0.00 0.00 175.76 175.02 3cey s PRO 194 N 0.73 2.75 0.48 0.00 0.04 -1.26 -3.84 135.00 133.89 3cey s PRO 194 Ca 0.68 1.28 0.24 0.00 0.04 0.00 0.00 61.00 63.24 3cey s PRO 194 Cb -0.44 -1.95 1.28 0.00 0.04 0.00 0.00 34.50 33.43 3cey s PRO 194 CO 0.35 -1.27 1.88 0.28 0.04 0.00 0.00 177.00 178.27 3cey h VAL 195 N -0.25 0.62 0.00 -0.36 2.07 -1.94 -1.46 116.25 114.93 3cey h VAL 195 Ca -0.46 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3cey h VAL 195 Cb 1.24 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3cey h VAL 195 CO 0.54 0.04 0.00 -1.54 0.02 0.00 0.00 177.57 176.63 3cey n SER 196 N -4.40 0.00 0.11 0.57 3.41 -1.26 -1.54 113.62 110.51 3cey n SER 196 Ca 0.18 0.29 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 3cey n SER 196 Cb 0.81 -0.37 0.40 0.00 -0.26 0.00 0.00 64.21 64.79 3cey n SER 196 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cey s PHE 198 N -3.11 2.85 0.45 0.00 0.08 -0.59 -4.88 117.98 112.79 3cey s PHE 198 Ca 0.10 -2.74 0.38 0.00 0.12 0.00 0.00 56.93 54.79 3cey s PHE 198 Cb 0.12 -2.47 1.94 0.00 -0.57 0.00 0.00 43.02 42.04 3cey s PHE 198 CO 0.60 -0.83 2.21 0.87 -0.10 0.00 0.00 175.22 177.97 3cey h LYS 199 N 7.10 0.00 -0.33 0.44 1.57 -1.85 -3.12 116.57 120.37 3cey h LYS 199 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3cey h LYS 199 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 3cey h LYS 199 CO 0.56 0.02 0.00 -2.39 -0.57 0.00 0.00 179.45 177.07 3cey n HIS 200 N -3.19 0.43 -4.06 -1.35 1.44 -1.26 -4.94 115.22 102.28 3cey n HIS 200 Ca -0.02 -0.21 -0.28 0.00 -2.01 0.00 0.00 57.72 55.20 3cey n HIS 200 Cb 0.17 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.22 3cey n HIS 200 CO 0.00 0.00 0.00 0.14 -2.81 0.00 0.00 176.34 173.67 3cey s VAL 201 N -1.57 4.54 0.51 0.61 -7.23 -1.18 -5.01 120.40 111.06 3cey s VAL 201 Ca 0.37 -0.94 -0.22 0.00 -1.81 0.00 0.00 61.98 59.39 3cey s VAL 201 Cb 0.21 -3.26 -0.08 0.00 0.56 0.00 0.00 36.38 33.82 3cey s VAL 201 CO 0.30 -0.01 1.03 -2.65 -0.31 0.00 0.00 175.10 173.46 3cey n PRO 202 N -0.02 1.23 -0.92 4.82 -0.02 -1.26 -2.20 135.00 136.63 3cey n PRO 202 Ca -0.08 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3cey n PRO 202 Cb 0.53 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3cey n PRO 202 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3cey n LEU 203 N -0.17 0.19 -0.16 2.45 4.77 -1.26 -4.89 117.00 117.93 3cey n LEU 203 Ca 0.11 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.01 3cey n LEU 203 Cb 0.43 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 3cey n LEU 203 CO 0.53 -0.11 0.98 0.22 -1.33 0.00 0.00 177.39 177.69 3cey h TYR 204 N 0.00 0.65 0.00 -1.77 3.20 -1.75 -2.26 116.97 115.05 3cey h TYR 204 Ca 0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3cey h TYR 204 Cb 0.03 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.09 3cey h TYR 204 CO 0.02 0.51 0.00 -0.25 -1.64 0.00 0.00 178.16 176.80 3cey n ASP 205 N -4.66 0.00 0.00 -2.11 8.00 -1.26 -3.00 116.55 113.52 3cey n ASP 205 Ca 0.01 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.77 3cey n ASP 205 Cb 0.10 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 3cey n ASP 205 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cey n GLN 206 N -1.37 0.30 0.20 -1.24 6.02 -0.88 -4.79 117.38 115.62 3cey n GLN 206 Ca 0.05 -0.81 0.09 0.00 -0.01 0.00 0.00 57.00 56.31 3cey n GLN 206 Cb 0.11 -0.99 0.22 0.00 1.02 0.00 0.00 30.24 30.60 3cey n GLN 206 CO 0.00 0.00 0.00 2.35 -1.01 0.00 0.00 177.06 178.40 3cey h TRP 207 N 0.00 0.00 -1.11 1.08 2.91 -1.37 -3.25 115.95 114.21 3cey h TRP 207 Ca 0.00 0.00 0.30 0.00 1.13 0.00 0.00 58.89 60.32 3cey h TRP 207 Cb 0.18 0.00 -0.09 0.00 -0.51 0.00 0.00 29.16 28.74 3cey h TRP 207 CO 0.00 0.22 0.73 1.49 -1.03 0.00 0.00 178.44 179.85 3cey h GLU 208 N 0.00 0.27 0.00 2.65 4.22 -1.87 -0.18 114.58 119.67 3cey h GLU 208 Ca -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 3cey h GLU 208 Cb 1.05 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3cey h GLU 208 CO 0.03 0.18 0.00 0.38 -2.18 0.00 0.00 179.01 177.42 3cey h ASP 209 N 0.28 0.00 -3.50 1.04 3.04 -1.96 -3.45 116.42 111.87 3cey h ASP 209 Ca 0.62 0.00 -0.60 0.00 -3.24 0.00 0.00 57.03 53.81 3cey h ASP 209 Cb 1.80 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 39.97 3cey h ASP 209 CO -0.26 0.00 -0.03 -0.69 -2.04 0.00 0.00 179.24 176.22 3cey s VAL 210 N -3.49 5.09 0.27 4.15 1.01 -0.08 -4.90 120.40 122.46 3cey s VAL 210 Ca 0.03 0.93 -0.21 0.00 0.00 0.00 0.00 61.98 62.74 3cey s VAL 210 Cb 0.08 -3.84 0.04 0.00 0.00 0.00 0.00 36.38 32.66 3cey s VAL 210 CO 0.57 0.15 0.79 0.00 0.00 0.00 0.00 175.10 176.61 3cey s MET 211 N 1.86 1.72 0.21 2.72 0.23 -1.26 -5.04 119.30 119.74 3cey s MET 211 Ca 0.23 -0.99 -0.31 0.00 -1.03 0.00 0.00 55.69 53.59 3cey s MET 211 Cb -0.15 0.56 -0.11 0.00 -1.53 0.00 0.00 34.83 33.60 3cey s MET 211 CO 0.09 -0.79 1.58 0.21 -2.03 0.00 0.00 175.02 174.08 3cey s LYS 212 N -3.47 4.19 0.00 3.16 2.20 -1.26 -1.91 119.74 122.65 3cey s LYS 212 Ca 0.12 2.44 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 3cey s LYS 212 Cb -0.05 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 3cey s LYS 212 CO 0.07 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 174.86 3cey n GLY 213 N 3.23 0.55 3.77 5.54 0.00 -0.00 -4.96 105.19 113.31 3cey n GLY 213 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3cey n GLY 213 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3cey n MET 214 N -2.00 2.71 -3.84 1.61 0.00 -0.81 -4.59 117.12 110.21 3cey n MET 214 Ca 0.00 0.96 -0.36 0.00 0.00 0.00 0.00 57.70 58.29 3cey n MET 214 Cb 0.00 -2.72 -0.07 0.00 0.00 0.00 0.00 33.22 30.44 3cey n MET 214 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 3cey s LYS 215 N -1.46 3.68 0.10 2.12 -0.14 0.67 -1.18 119.74 123.54 3cey s LYS 215 Ca 0.57 -0.17 0.02 0.00 -1.36 0.00 0.00 55.97 55.04 3cey s LYS 215 Cb -0.48 -3.26 -0.04 0.00 -1.68 0.00 0.00 37.83 32.37 3cey s LYS 215 CO 0.58 0.62 -0.07 0.14 -0.76 0.00 0.00 175.35 175.85 3cey s VAL 216 N -0.56 0.77 -0.24 3.17 -7.23 -0.11 -4.02 120.40 112.19 3cey s VAL 216 Ca 0.13 -1.93 -0.16 0.00 -1.81 0.00 0.00 61.98 58.20 3cey s VAL 216 Cb -0.12 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 3cey s VAL 216 CO 0.02 -0.84 0.43 -1.61 -0.31 0.00 0.00 175.10 172.80 3cey s GLU 217 N -3.75 4.10 0.14 4.82 2.02 -0.09 -1.02 118.70 124.93 3cey s GLU 217 Ca 0.12 0.20 0.02 0.00 0.02 0.00 0.00 54.97 55.33 3cey s GLU 217 Cb 0.04 -3.61 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 3cey s GLU 217 CO -0.04 -0.21 -0.02 0.14 0.02 0.00 0.00 175.26 175.15 3cey s VAL 218 N 1.85 0.67 0.28 2.63 -7.23 -0.69 -0.65 120.40 117.26 3cey s VAL 218 Ca 0.19 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.10 3cey s VAL 218 Cb -0.15 -1.96 -0.10 0.00 0.56 0.00 0.00 36.38 34.72 3cey s VAL 218 CO 0.09 -0.62 1.44 -0.22 -0.31 0.00 0.00 175.10 175.49 3cey s LEU 219 N -3.12 4.38 -0.29 1.32 2.96 -1.26 -0.38 118.68 122.30 3cey s LEU 219 Ca 0.20 2.74 -0.27 0.00 -0.22 0.00 0.00 54.13 56.57 3cey s LEU 219 Cb 0.06 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 43.12 3cey s LEU 219 CO 0.01 -0.72 0.97 0.21 -1.32 0.00 0.00 176.35 175.50 3cey s ASN 220 N 0.22 6.90 0.18 3.68 3.84 -0.27 -4.67 114.94 124.82 3cey s ASN 220 Ca 0.58 1.04 0.19 0.00 0.21 0.00 0.00 52.86 54.88 3cey s ASN 220 Cb -0.43 -2.50 -0.02 0.00 -0.55 0.00 0.00 41.25 37.76 3cey s ASN 220 CO 0.47 -0.73 1.05 0.77 -2.79 0.00 0.00 177.10 175.87 3cey h SER 221 N 7.90 0.00 0.06 -4.21 4.64 -1.92 -3.44 113.55 116.58 3cey h SER 221 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3cey h SER 221 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3cey h SER 221 CO 0.97 0.29 0.00 -0.67 -0.87 0.00 0.00 176.83 176.55 3cey n ASP 222 N -2.86 0.00 -4.57 4.97 -0.08 -1.26 -5.11 116.55 107.64 3cey n ASP 222 Ca -0.03 0.40 -0.42 0.00 -1.51 0.00 0.00 54.79 53.22 3cey n ASP 222 Cb 0.69 -0.41 -0.06 0.00 2.34 0.00 0.00 41.12 43.68 3cey n ASP 222 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 3cey s ARG 228 N -2.82 3.68 0.24 -0.67 1.81 -1.26 -4.39 118.95 115.53 3cey s ARG 228 Ca 0.01 0.18 0.11 0.00 -1.72 0.00 0.00 55.73 54.31 3cey s ARG 228 Cb 0.01 -3.83 -0.05 0.00 -0.45 0.00 0.00 34.95 30.64 3cey s ARG 228 CO 0.03 -0.86 -0.21 0.14 -0.68 0.00 0.00 175.30 173.73 3cey s VAL 229 N 3.02 2.35 0.33 3.52 -7.23 -1.26 -4.78 120.40 116.34 3cey s VAL 229 Ca 0.29 -2.24 0.09 0.00 -1.81 0.00 0.00 61.98 58.32 3cey s VAL 229 Cb -0.13 -2.19 -0.06 0.00 0.56 0.00 0.00 36.38 34.55 3cey s VAL 229 CO 0.17 -0.31 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.25 3cey s TYR 230 N -2.22 2.31 0.32 2.82 2.02 -0.66 -1.12 117.35 120.83 3cey s TYR 230 Ca 0.25 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 3cey s TYR 230 Cb -0.06 -1.32 -0.01 0.00 -0.40 0.00 0.00 41.96 40.17 3cey s TYR 230 CO 0.12 0.53 0.37 -0.46 -1.57 0.00 0.00 175.55 174.54 3cey s TRP 231 N -2.69 1.32 -0.11 2.71 -0.00 0.49 -0.28 118.94 120.37 3cey s TRP 231 Ca 0.32 -1.43 -0.04 0.00 -0.00 0.00 0.00 56.10 54.95 3cey s TRP 231 Cb 0.03 -0.36 -0.04 0.00 -0.00 0.00 0.00 33.47 33.10 3cey s TRP 231 CO 0.16 -0.99 0.05 0.42 -0.00 0.00 0.00 176.95 176.59 3cey s ILE 232 N -3.34 4.71 0.10 5.86 1.01 -1.26 -1.70 121.20 126.59 3cey s ILE 232 Ca 0.35 -0.09 0.04 0.00 0.00 0.00 0.00 60.65 60.96 3cey s ILE 232 Cb 0.01 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3cey s ILE 232 CO 0.22 0.58 -0.11 0.00 0.00 0.00 0.00 174.94 175.63 3cey s ALA 233 N -0.65 1.22 0.09 9.38 0.00 -0.18 -0.32 121.76 131.29 3cey s ALA 233 Ca 0.11 -1.19 0.09 0.00 0.00 0.00 0.00 51.96 50.96 3cey s ALA 233 Cb -0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3cey s ALA 233 CO 0.02 0.02 -0.22 -1.54 0.00 0.00 0.00 175.76 174.04 3cey s SER 234 N -2.37 2.70 -0.08 0.00 1.04 -0.50 -0.93 113.70 113.56 3cey s SER 234 Ca 0.05 -0.65 -0.30 0.00 0.48 0.00 0.00 55.95 55.54 3cey s SER 234 Cb -0.04 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.86 3cey s SER 234 CO 0.01 0.12 1.44 -0.69 0.98 0.00 0.00 173.24 175.10 3cey s VAL 235 N -1.02 3.86 -0.22 5.02 1.01 -0.32 -1.48 120.40 127.24 3cey s VAL 235 Ca 0.08 1.11 0.07 0.00 0.00 0.00 0.00 61.98 63.25 3cey s VAL 235 Cb -0.10 -3.72 -0.21 0.00 0.00 0.00 0.00 36.38 32.36 3cey s VAL 235 CO 0.04 -0.07 -0.04 -0.38 0.00 0.00 0.00 175.10 174.65 3cey n ILE 236 N 5.20 1.49 -3.72 2.22 2.08 0.15 -0.82 119.36 125.95 3cey n ILE 236 Ca 0.15 -0.68 -0.14 0.00 0.56 0.00 0.00 62.75 62.64 3cey n ILE 236 Cb 0.44 -1.12 -0.08 0.00 -0.75 0.00 0.00 39.64 38.13 3cey n ILE 236 CO 0.00 0.00 0.00 -1.58 0.56 0.00 0.00 176.55 175.53 3cey s GLN 237 N -2.52 0.72 -0.09 0.38 0.74 -1.18 -4.91 119.66 112.79 3cey s GLN 237 Ca -0.24 -0.06 0.03 0.00 0.05 0.00 0.00 55.36 55.14 3cey s GLN 237 Cb 0.08 0.32 -0.01 0.00 1.10 0.00 0.00 33.01 34.50 3cey s GLN 237 CO 0.70 -0.20 -0.20 0.99 -0.55 0.00 0.00 175.29 176.03 3cey s THR 238 N -1.18 2.46 -0.25 -0.34 2.01 -1.26 -1.30 115.64 115.77 3cey s THR 238 Ca -0.12 -0.90 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 3cey s THR 238 Cb -0.04 -1.96 0.08 0.00 0.01 0.00 0.00 72.50 70.59 3cey s THR 238 CO 0.05 0.56 0.06 0.00 -0.69 0.00 0.00 174.62 174.60 3cey s ALA 239 N 0.08 1.24 0.00 7.40 0.00 0.27 -4.81 121.76 125.94 3cey s ALA 239 Ca -0.09 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 50.72 3cey s ALA 239 Cb -0.15 -1.39 0.00 0.00 0.00 0.00 0.00 23.12 21.58 3cey s ALA 239 CO 0.06 -1.41 0.00 0.41 0.00 0.00 0.00 175.76 174.82 3cey n GLY 240 N 4.96 3.15 0.10 0.00 0.00 -1.25 -1.36 105.19 110.78 3cey n GLY 240 Ca -0.06 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 45.95 3cey n GLY 240 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cey n TYR 241 N 14.00 0.64 -3.25 1.61 4.01 -0.52 -4.51 117.16 129.15 3cey n TYR 241 Ca 0.00 0.24 -0.38 0.00 -0.16 0.00 0.00 57.90 57.59 3cey n TYR 241 Cb 0.00 -0.88 -0.06 0.00 -0.31 0.00 0.00 39.34 38.09 3cey n TYR 241 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3cey s ARG 242 N -3.21 4.30 0.01 -0.72 0.52 -0.46 -1.54 118.95 117.85 3cey s ARG 242 Ca 0.06 0.62 0.07 0.00 -0.52 0.00 0.00 55.73 55.96 3cey s ARG 242 Cb 0.10 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 3cey s ARG 242 CO 0.41 0.29 -0.20 0.14 0.02 0.00 0.00 175.30 175.97 3cey s VAL 243 N 0.11 2.63 -0.24 3.52 -7.23 0.37 -0.57 120.40 118.98 3cey s VAL 243 Ca 0.29 -1.11 -0.24 0.00 -1.81 0.00 0.00 61.98 59.11 3cey s VAL 243 Cb -0.17 -2.05 -0.01 0.00 0.56 0.00 0.00 36.38 34.71 3cey s VAL 243 CO 0.15 0.43 0.79 -0.22 -0.31 0.00 0.00 175.10 175.94 3cey s LEU 244 N -1.13 4.09 -0.02 1.32 2.96 -0.42 -0.24 118.68 125.23 3cey s LEU 244 Ca 0.13 0.98 0.02 0.00 -0.22 0.00 0.00 54.13 55.04 3cey s LEU 244 Cb -0.10 -3.12 -0.03 0.00 0.50 0.00 0.00 46.19 43.43 3cey s LEU 244 CO 0.03 -0.47 -0.04 -0.76 -1.32 0.00 0.00 176.35 173.79 3cey s LEU 245 N 2.70 3.32 -0.15 -0.68 1.43 0.49 0.30 118.68 126.09 3cey s LEU 245 Ca 0.33 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 3cey s LEU 245 Cb -0.15 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.23 3cey s LEU 245 CO 0.08 0.31 -0.20 -0.60 0.23 0.00 0.00 176.35 176.16 3cey s ARG 246 N -1.29 2.88 0.43 1.70 3.52 -0.55 -1.45 118.95 124.20 3cey s ARG 246 Ca 0.17 -0.80 -0.26 0.00 -0.13 0.00 0.00 55.73 54.71 3cey s ARG 246 Cb -0.11 -2.39 -0.09 0.00 -1.56 0.00 0.00 34.95 30.80 3cey s ARG 246 CO 0.07 -0.08 1.39 0.71 -0.81 0.00 0.00 175.30 176.57 3cey s TYR 247 N 1.00 2.59 0.26 5.12 2.02 -1.26 -1.41 117.35 125.66 3cey s TYR 247 Ca -0.03 1.30 -0.30 0.00 -0.37 0.00 0.00 57.07 57.67 3cey s TYR 247 Cb -0.15 -3.85 -0.10 0.00 -0.40 0.00 0.00 41.96 37.47 3cey s TYR 247 CO -0.05 -2.67 1.39 -1.21 -1.57 0.00 0.00 175.55 171.44 3cey s GLU 248 N -2.34 4.30 0.00 -0.62 0.41 0.56 -2.57 118.70 118.45 3cey s GLU 248 Ca 0.59 2.25 0.00 0.00 -0.41 0.00 0.00 54.97 57.40 3cey s GLU 248 Cb -0.42 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 28.82 3cey s GLU 248 CO 0.55 -0.35 0.00 0.41 -0.49 0.00 0.00 175.26 175.38 3cey n GLY 249 N 1.91 2.12 0.15 -1.39 0.00 -1.26 -4.93 105.19 101.78 3cey n GLY 249 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 3cey n GLY 249 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3cey h PHE 250 N 0.00 0.00 0.00 1.61 -1.00 -1.83 -3.48 116.94 112.25 3cey h PHE 250 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3cey h PHE 250 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 3cey h PHE 250 CO 0.00 0.57 0.00 0.39 -1.61 0.00 0.00 178.31 177.66 3cey n GLU 251 N -3.55 0.00 0.00 1.51 1.02 -1.26 -1.00 120.64 117.35 3cey n GLU 251 Ca -0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 3cey n GLU 251 Cb 0.64 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.03 3cey n GLU 251 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3cey n ASN 252 N 7.86 1.43 -4.55 1.62 3.02 -1.26 -4.87 115.26 118.50 3cey n ASN 252 Ca 0.00 -1.21 -0.40 0.00 -0.03 0.00 0.00 54.58 52.94 3cey n ASN 252 Cb 0.00 0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 39.78 3cey n ASN 252 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cey s ASP 253 N -2.19 5.61 0.00 6.41 2.15 -0.17 -4.84 116.67 123.64 3cey s ASP 253 Ca 0.12 0.15 0.30 0.00 0.43 0.00 0.00 52.55 53.54 3cey s ASP 253 Cb 0.14 -2.54 1.41 0.00 -0.30 0.00 0.00 42.92 41.63 3cey s ASP 253 CO 0.51 -2.15 1.98 0.00 -0.17 0.00 0.00 175.17 175.34 3cey n ALA 254 N 11.46 2.63 0.30 3.66 0.00 -1.26 -4.38 120.51 132.91 3cey n ALA 254 Ca 0.15 -0.20 0.19 0.00 0.00 0.00 0.00 53.44 53.57 3cey n ALA 254 Cb 0.51 -1.42 0.94 0.00 0.00 0.00 0.00 19.45 19.47 3cey n ALA 254 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3cey h SER 255 N 0.25 0.00 -0.19 0.00 4.64 -1.98 -2.55 113.55 113.73 3cey h SER 255 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cey h SER 255 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3cey h SER 255 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 3cey n HIS 256 N -2.85 0.60 -1.91 4.77 8.25 -1.26 -5.04 115.22 117.78 3cey n HIS 256 Ca -0.02 -0.85 -0.38 0.00 -0.26 0.00 0.00 57.72 56.21 3cey n HIS 256 Cb 0.12 -0.23 0.02 0.00 1.12 0.00 0.00 29.99 31.02 3cey n HIS 256 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3cey s ASP 257 N -2.04 5.67 -0.00 0.41 1.11 -0.96 -4.76 116.67 116.09 3cey s ASP 257 Ca 0.35 2.69 -0.09 0.00 0.18 0.00 0.00 52.55 55.68 3cey s ASP 257 Cb 0.29 -2.63 0.01 0.00 1.07 0.00 0.00 42.92 41.65 3cey s ASP 257 CO 0.08 -1.29 0.18 0.72 1.18 0.00 0.00 175.17 176.04 3cey s PHE 258 N -1.33 -0.02 0.17 4.23 -0.12 -0.52 -4.94 117.98 115.45 3cey s PHE 258 Ca 0.66 -0.02 -0.19 0.00 -0.05 0.00 0.00 56.93 57.34 3cey s PHE 258 Cb -0.38 -0.01 -0.08 0.00 -0.63 0.00 0.00 43.02 41.92 3cey s PHE 258 CO 0.47 -0.31 0.66 -1.58 -0.05 0.00 0.00 175.22 174.41 3cey s TRP 259 N -1.33 3.70 -0.04 3.49 0.52 -1.26 -0.38 118.94 123.64 3cey s TRP 259 Ca -0.14 1.33 0.01 0.00 0.02 0.00 0.00 56.10 57.31 3cey s TRP 259 Cb -0.07 -2.56 0.02 0.00 -1.15 0.00 0.00 33.47 29.71 3cey s TRP 259 CO 0.02 0.42 -0.03 0.00 0.02 0.00 0.00 176.95 177.39 3cey s ASN 261 N 0.86 6.68 0.00 0.00 3.84 -1.26 0.14 114.94 125.20 3cey s ASN 261 Ca -0.10 0.84 0.20 0.00 0.21 0.00 0.00 52.86 54.01 3cey s ASN 261 Cb -0.13 -2.36 1.12 0.00 -0.55 0.00 0.00 41.25 39.32 3cey s ASN 261 CO -0.00 -0.35 1.62 0.18 -2.79 0.00 0.00 177.10 175.75 3cey n LEU 262 N 5.43 0.00 -0.18 3.21 4.77 -0.59 -1.10 117.00 128.55 3cey n LEU 262 Ca 0.00 0.14 0.15 0.00 -0.03 0.00 0.00 56.01 56.27 3cey n LEU 262 Cb 0.49 -0.14 0.71 0.00 -2.33 0.00 0.00 43.42 42.15 3cey n LEU 262 CO 0.44 -0.05 0.96 0.61 -1.33 0.00 0.00 177.39 178.02 3cey n GLY 263 N 0.34 -0.68 3.93 -0.72 0.00 -1.26 -4.94 105.19 101.85 3cey n GLY 263 Ca 0.12 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 3cey n GLY 263 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cey s THR 264 N -2.16 3.07 0.09 2.61 -4.23 -0.26 -5.01 115.64 109.77 3cey s THR 264 Ca 0.39 -0.14 -0.07 0.00 -1.18 0.00 0.00 61.69 60.69 3cey s THR 264 Cb 0.21 -3.26 -0.24 0.00 1.34 0.00 0.00 72.50 70.55 3cey s THR 264 CO 0.39 -0.26 1.20 -0.37 -0.54 0.00 0.00 174.62 175.04 3cey h VAL 265 N -0.32 1.41 -0.72 2.29 -1.51 -1.92 -3.33 116.25 112.14 3cey h VAL 265 Ca -0.45 -2.66 -0.47 0.00 -1.23 0.00 0.00 66.70 61.89 3cey h VAL 265 Cb 1.28 2.67 -0.21 0.00 -2.13 0.00 0.00 31.29 32.90 3cey h VAL 265 CO 0.60 0.79 0.60 0.47 -1.23 0.00 0.00 177.57 178.80 3cey n ASP 266 N -3.68 6.31 -4.35 4.19 10.43 -1.26 -4.74 116.55 123.45 3cey n ASP 266 Ca -0.09 -3.35 -0.33 0.00 2.57 0.00 0.00 54.79 53.59 3cey n ASP 266 Cb 0.94 -0.96 -0.15 0.00 1.84 0.00 0.00 41.12 42.79 3cey n ASP 266 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3cey s VAL 267 N -3.25 2.85 0.08 2.53 1.01 -1.25 -4.01 120.40 118.36 3cey s VAL 267 Ca 0.46 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 3cey s VAL 267 Cb 0.36 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3cey s VAL 267 CO 0.01 0.54 -0.01 -1.00 0.00 0.00 0.00 175.10 174.64 3cey s HIS 268 N 0.27 0.69 0.55 5.22 3.76 0.18 -4.99 115.29 120.97 3cey s HIS 268 Ca -0.11 -1.09 -0.16 0.00 -0.15 0.00 0.00 55.06 53.55 3cey s HIS 268 Cb -0.16 -0.45 -0.06 0.00 1.11 0.00 0.00 32.58 33.03 3cey s HIS 268 CO 0.06 -0.38 1.03 -1.25 -0.85 0.00 0.00 174.74 173.35 3cey s PRO 269 N -3.94 3.62 0.27 8.40 0.04 -1.26 -0.92 135.00 141.20 3cey s PRO 269 Ca 0.13 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 61.98 3cey s PRO 269 Cb 0.07 -2.08 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 3cey s PRO 269 CO -0.06 -0.56 1.33 -0.89 0.04 0.00 0.00 177.00 176.86 3cey n ILE 270 N -1.77 1.34 0.00 0.56 2.08 -1.26 -2.26 119.36 118.06 3cey n ILE 270 Ca 0.08 -0.34 0.00 0.00 0.56 0.00 0.00 62.75 63.05 3cey n ILE 270 Cb 0.53 -1.43 0.00 0.00 -0.75 0.00 0.00 39.64 37.99 3cey n ILE 270 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3cey n GLY 271 N 1.66 2.67 0.21 7.39 0.00 -1.26 -4.97 105.19 110.90 3cey n GLY 271 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 3cey n GLY 271 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3cey h TRP 272 N 0.00 0.69 -1.00 1.61 7.01 -1.83 -2.38 115.95 120.06 3cey h TRP 272 Ca 0.00 -0.05 0.04 0.00 2.11 0.00 0.00 58.89 60.99 3cey h TRP 272 Cb 0.00 -0.21 -0.06 0.00 -2.10 0.00 0.00 29.16 26.79 3cey h TRP 272 CO 0.00 0.59 0.65 0.00 -2.79 0.00 0.00 178.44 176.89 3cey h ALA 274 N 1.41 0.50 -0.43 0.00 0.00 -1.73 0.55 119.26 119.55 3cey h ALA 274 Ca 0.40 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3cey h ALA 274 Cb 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3cey h ALA 274 CO -0.13 0.26 0.10 0.82 0.00 0.00 0.00 179.25 180.29 3cey h ILE 275 N 0.47 1.20 -0.52 0.00 2.04 -1.25 -3.23 117.51 116.22 3cey h ILE 275 Ca 0.11 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3cey h ILE 275 Cb 0.45 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3cey h ILE 275 CO 0.02 0.26 0.00 0.59 0.00 0.00 0.00 178.15 179.02 3cey n ASN 276 N -4.31 3.39 -2.48 1.72 3.02 -0.63 -4.96 115.26 111.02 3cey n ASN 276 Ca 0.03 -1.99 -0.18 0.00 -0.03 0.00 0.00 54.58 52.41 3cey n ASN 276 Cb 0.21 -0.34 0.03 0.00 -0.61 0.00 0.00 39.78 39.06 3cey n ASN 276 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3cey n SER 277 N 1.07 -5.32 -4.95 6.41 7.64 -0.26 -5.01 113.62 113.19 3cey n SER 277 Ca 0.18 -0.22 -0.23 0.00 1.01 0.00 0.00 58.87 59.61 3cey n SER 277 Cb 0.52 -4.18 -0.02 0.00 -1.01 0.00 0.00 64.21 59.51 3cey n SER 277 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3cey s LYS 278 N -5.45 3.41 -0.06 1.43 -0.14 0.18 -5.03 119.74 114.07 3cey s LYS 278 Ca 0.23 -0.73 0.01 0.00 -1.36 0.00 0.00 55.97 54.12 3cey s LYS 278 Cb -0.10 -2.89 -0.03 0.00 -1.68 0.00 0.00 37.83 33.13 3cey s LYS 278 CO 0.29 0.45 -0.08 0.42 -0.76 0.00 0.00 175.35 175.67 3cey s ILE 279 N -1.92 3.63 -0.19 2.17 -1.09 -1.26 -4.42 121.20 118.12 3cey s ILE 279 Ca 0.34 -0.52 -0.20 0.00 -2.23 0.00 0.00 60.65 58.04 3cey s ILE 279 Cb -0.10 -2.48 -0.03 0.00 -1.58 0.00 0.00 42.46 38.27 3cey s ILE 279 CO 0.29 0.59 0.59 -0.76 -1.23 0.00 0.00 174.94 174.41 3cey s LEU 280 N -0.84 4.16 -0.08 2.97 1.43 -1.26 -1.65 118.68 123.42 3cey s LEU 280 Ca 0.13 0.80 0.02 0.00 -1.03 0.00 0.00 54.13 54.05 3cey s LEU 280 Cb -0.11 -2.83 0.01 0.00 0.03 0.00 0.00 46.19 43.29 3cey s LEU 280 CO 0.02 -0.22 -0.13 -0.69 0.23 0.00 0.00 176.35 175.55 3cey s VAL 281 N 1.71 1.26 0.41 -1.59 1.01 0.61 -4.91 120.40 118.90 3cey s VAL 281 Ca 0.27 -0.54 -0.25 0.00 0.00 0.00 0.00 61.98 61.46 3cey s VAL 281 Cb -0.16 -1.15 -0.08 0.00 0.00 0.00 0.00 36.38 34.99 3cey s VAL 281 CO 0.10 0.39 1.22 -2.84 0.00 0.00 0.00 175.10 173.97 3cey s PRO 282 N 0.72 3.98 0.67 2.72 0.02 -1.26 -4.47 135.00 137.38 3cey s PRO 282 Ca -0.13 1.95 -0.17 0.00 0.02 0.00 0.00 61.00 62.67 3cey s PRO 282 Cb -0.16 -2.68 -0.00 0.00 0.02 0.00 0.00 34.50 31.68 3cey s PRO 282 CO 0.03 -0.41 1.15 -2.30 -0.33 0.00 0.00 177.00 175.14 3cey n PRO 283 N 0.03 0.84 0.19 5.54 -0.02 -1.26 -4.71 135.00 135.62 3cey n PRO 283 Ca 0.04 0.34 0.04 0.00 -2.02 0.00 0.00 63.50 61.91 3cey n PRO 283 Cb 0.46 -2.39 0.39 0.00 -0.02 0.00 0.00 33.50 31.93 3cey n PRO 283 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3cey h ARG 284 N 0.19 0.00 -0.57 -0.52 9.65 -1.94 -0.94 114.38 120.25 3cey h ARG 284 Ca -0.49 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.41 3cey h ARG 284 Cb 1.34 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.89 3cey h ARG 284 CO 0.50 0.36 0.38 1.15 2.80 0.00 0.00 179.97 185.17 3cey h THR 285 N 0.00 1.11 -0.01 0.20 2.02 -1.94 -3.17 112.91 111.12 3cey h THR 285 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 3cey h THR 285 Cb 0.71 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 3cey h THR 285 CO 0.05 0.13 0.00 2.30 0.37 0.00 0.00 175.52 178.37 3cey n ILE 286 N -4.46 0.04 -0.41 3.11 -5.35 -1.05 -4.79 119.36 106.45 3cey n ILE 286 Ca 0.06 -0.52 0.33 0.00 -0.27 0.00 0.00 62.75 62.36 3cey n ILE 286 Cb 0.09 1.04 0.61 0.00 -1.74 0.00 0.00 39.64 39.65 3cey n ILE 286 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3cey h HIS 287 N 0.61 0.56 -0.19 4.28 2.07 -1.15 -1.05 115.15 120.29 3cey h HIS 287 Ca 0.00 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 3cey h HIS 287 Cb 0.15 -0.14 0.00 0.00 2.57 0.00 0.00 27.41 29.98 3cey h HIS 287 CO 0.00 -0.15 0.00 0.00 -3.07 0.00 0.00 177.93 174.72 3cey n ALA 288 N -2.51 2.51 -0.30 6.11 0.00 -1.26 -4.12 120.51 120.94 3cey n ALA 288 Ca 0.34 -0.53 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 3cey n ALA 288 Cb 1.29 -1.07 0.08 0.00 0.00 0.00 0.00 19.45 19.75 3cey n ALA 288 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3cey h LYS 289 N 2.18 1.09 -4.46 0.00 1.57 -1.55 -3.45 116.57 111.94 3cey h LYS 289 Ca 0.00 -0.08 -0.19 0.00 -1.87 0.00 0.00 60.65 58.52 3cey h LYS 289 Cb 0.48 -0.24 -0.15 0.00 0.08 0.00 0.00 32.23 32.40 3cey h LYS 289 CO 0.00 0.74 -0.67 -0.06 -0.57 0.00 0.00 179.45 178.88 3cey s PHE 290 N -6.08 0.80 -0.24 -1.35 0.08 -1.26 -5.06 117.98 104.86 3cey s PHE 290 Ca -0.13 -1.07 -0.12 0.00 0.12 0.00 0.00 56.93 55.72 3cey s PHE 290 Cb 0.16 -0.49 -0.16 0.00 -0.57 0.00 0.00 43.02 41.96 3cey s PHE 290 CO 0.79 -0.34 -0.12 2.41 -0.10 0.00 0.00 175.22 177.86 3cey n THR 291 N -0.03 1.55 -2.88 0.64 -1.04 -1.26 -4.75 114.28 106.51 3cey n THR 291 Ca -0.10 -0.35 -0.44 0.00 -2.04 0.00 0.00 64.05 61.12 3cey n THR 291 Cb 0.62 -1.83 -0.01 0.00 -1.82 0.00 0.00 70.33 67.29 3cey n THR 291 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3cey s ASP 292 N -7.12 6.91 0.16 8.00 2.15 -1.26 -4.74 116.67 120.77 3cey s ASP 292 Ca -0.34 -2.62 0.05 0.00 0.43 0.00 0.00 52.55 50.07 3cey s ASP 292 Cb 0.11 -2.43 -0.04 0.00 -0.30 0.00 0.00 42.92 40.26 3cey s ASP 292 CO 0.56 -0.91 1.37 -0.50 -0.17 0.00 0.00 175.17 175.51 3cey h TRP 293 N 7.74 0.16 -0.23 -5.34 4.06 -1.99 -2.23 115.95 118.12 3cey h TRP 293 Ca 0.29 -0.09 -0.04 0.00 2.06 0.00 0.00 58.89 61.10 3cey h TRP 293 Cb 0.92 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.05 3cey h TRP 293 CO 1.17 0.95 -0.01 -0.22 -3.56 0.00 0.00 178.44 176.76 3cey h LYS 294 N 0.05 0.42 -1.01 0.49 3.64 -1.99 -0.68 116.57 117.49 3cey h LYS 294 Ca -0.03 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.23 3cey h LYS 294 Cb 1.56 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 33.29 3cey h LYS 294 CO 0.13 0.62 0.66 0.78 -2.27 0.00 0.00 179.45 179.37 3cey h GLY 295 N 0.18 1.45 0.81 5.01 0.00 -1.95 -0.41 103.07 108.17 3cey h GLY 295 Ca 0.06 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3cey h GLY 295 CO 0.01 0.47 0.01 -1.82 0.00 0.00 0.00 176.54 175.21 3cey h TYR 296 N 1.32 0.35 -0.25 5.60 3.20 -1.03 -2.72 116.97 123.43 3cey h TYR 296 Ca 0.39 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.19 3cey h TYR 296 Cb -0.07 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3cey h TYR 296 CO -0.00 0.51 0.12 -0.07 -1.64 0.00 0.00 178.16 177.08 3cey h LEU 297 N 0.08 0.33 -0.97 2.82 3.38 -1.01 -2.10 115.31 117.85 3cey h LEU 297 Ca 0.05 -0.13 0.23 0.00 0.09 0.00 0.00 57.88 58.13 3cey h LEU 297 Cb 0.37 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 40.91 3cey h LEU 297 CO 0.01 0.36 0.53 0.24 0.09 0.00 0.00 178.44 179.67 3cey h MET 298 N 0.27 0.52 -0.13 1.13 2.86 -0.97 -1.27 114.93 117.34 3cey h MET 298 Ca 0.09 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.52 3cey h MET 298 Cb 0.12 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.66 3cey h MET 298 CO -0.01 0.35 -0.64 0.87 1.06 0.00 0.00 176.91 178.53 3cey h LYS 299 N 0.54 0.47 0.00 1.72 1.57 -1.12 -3.15 116.57 116.59 3cey h LYS 299 Ca 0.61 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3cey h LYS 299 Cb 1.15 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3cey h LYS 299 CO -0.48 0.96 0.00 0.00 -0.57 0.00 0.00 179.45 179.35 3cey h ARG 300 N 0.34 0.00 0.00 3.15 2.47 -0.60 -3.30 114.38 116.44 3cey h ARG 300 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3cey h ARG 300 Cb 1.20 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 3cey h ARG 300 CO 0.11 0.00 -1.02 1.28 0.56 0.00 0.00 179.97 180.90 3cey n LEU 301 N -3.03 0.63 -4.70 3.04 4.77 -0.78 -4.77 117.00 112.16 3cey n LEU 301 Ca 0.02 0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.67 3cey n LEU 301 Cb 0.39 -0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 3cey n LEU 301 CO 0.29 -0.02 1.42 0.68 -1.33 0.00 0.00 177.39 178.44 3cey s VAL 302 N -3.25 2.52 -1.79 4.08 -7.23 -1.21 -1.58 120.40 111.94 3cey s VAL 302 Ca 0.02 0.13 0.00 0.00 -1.81 0.00 0.00 61.98 60.32 3cey s VAL 302 Cb 0.13 -3.08 0.00 0.00 0.56 0.00 0.00 36.38 33.99 3cey s VAL 302 CO 0.79 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 176.20 3cey n GLY 303 N 4.13 1.64 3.97 2.32 0.00 -1.26 -5.00 105.19 110.99 3cey n GLY 303 Ca 0.17 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3cey n GLY 303 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3cey s SER 304 N -2.81 5.79 0.26 1.61 1.04 -0.61 -5.12 113.70 113.86 3cey s SER 304 Ca 0.00 0.11 0.06 0.00 0.48 0.00 0.00 55.95 56.60 3cey s SER 304 Cb 0.00 -1.35 -0.06 0.00 0.10 0.00 0.00 66.02 64.72 3cey s SER 304 CO 0.00 -0.69 -0.05 0.00 0.98 0.00 0.00 173.24 173.48 3cey s ARG 305 N -4.48 1.49 0.18 4.02 1.70 -1.26 -5.02 118.95 115.57 3cey s ARG 305 Ca 0.49 -1.75 0.04 0.00 -0.47 0.00 0.00 55.73 54.04 3cey s ARG 305 Cb -0.10 -1.04 -0.01 0.00 -0.57 0.00 0.00 34.95 33.23 3cey s ARG 305 CO 0.36 0.02 0.14 -2.37 -1.08 0.00 0.00 175.30 172.37 3cey n THR 306 N -0.53 0.00 -1.86 4.99 5.66 -1.26 -0.24 114.28 121.05 3cey n THR 306 Ca -0.06 -1.26 -0.40 0.00 -3.05 0.00 0.00 64.05 59.28 3cey n THR 306 Cb 0.63 0.61 0.01 0.00 -1.55 0.00 0.00 70.33 70.04 3cey n THR 306 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3cey s LEU 307 N 0.00 4.12 0.68 1.09 1.43 -1.26 -4.92 118.68 119.82 3cey s LEU 307 Ca 0.20 2.85 -0.17 0.00 -1.03 0.00 0.00 54.13 55.98 3cey s LEU 307 Cb 0.01 -3.94 -0.01 0.00 0.03 0.00 0.00 46.19 42.28 3cey s LEU 307 CO 0.14 -1.12 1.03 -2.65 0.23 0.00 0.00 176.35 173.97 3cey n PRO 308 N -0.16 0.70 -2.27 1.29 -0.02 -1.26 -4.71 135.00 128.57 3cey n PRO 308 Ca 0.05 0.29 -0.41 0.00 -2.02 0.00 0.00 63.50 61.42 3cey n PRO 308 Cb 0.42 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 3cey n PRO 308 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3cey s VAL 309 N -1.67 3.10 -1.14 -1.45 1.01 -1.26 -2.77 120.40 116.21 3cey s VAL 309 Ca 0.76 1.07 0.00 0.00 0.00 0.00 0.00 61.98 63.81 3cey s VAL 309 Cb -0.37 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3cey s VAL 309 CO 0.47 0.24 0.00 0.47 0.00 0.00 0.00 175.10 176.28 3cey n ASP 310 N 1.26 -4.11 -0.09 3.32 8.00 -1.26 -4.91 116.55 118.76 3cey n ASP 310 Ca 0.01 0.08 -0.06 0.00 0.71 0.00 0.00 54.79 55.53 3cey n ASP 310 Cb 0.43 -3.13 -0.00 0.00 -0.02 0.00 0.00 41.12 38.40 3cey n ASP 310 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 3cey h PHE 311 N 0.00 -0.18 0.03 1.24 3.57 -1.89 -0.67 116.94 119.03 3cey h PHE 311 Ca -0.28 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.02 3cey h PHE 311 Cb 1.10 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.96 3cey h PHE 311 CO 0.34 -0.14 -0.97 1.25 -2.23 0.00 0.00 178.31 176.55 3cey h HIS 312 N -0.00 0.43 0.02 0.41 2.76 -1.91 -1.74 115.15 115.12 3cey h HIS 312 Ca 0.16 -0.25 -0.00 0.00 -2.20 0.00 0.00 60.37 58.07 3cey h HIS 312 Cb 0.24 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.16 3cey h HIS 312 CO -0.31 1.10 -0.01 0.82 -1.30 0.00 0.00 177.93 178.23 3cey h ILE 313 N 0.14 1.05 -0.75 6.26 2.04 -1.92 -0.22 117.51 124.11 3cey h ILE 313 Ca -0.07 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3cey h ILE 313 Cb 1.63 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.85 3cey h ILE 313 CO 0.16 0.05 0.42 0.11 0.00 0.00 0.00 178.15 178.88 3cey h LYS 314 N -0.11 1.04 -0.80 2.37 1.57 -1.17 -1.79 116.57 117.68 3cey h LYS 314 Ca -0.00 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3cey h LYS 314 Cb 0.10 -0.21 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 3cey h LYS 314 CO 0.00 0.75 0.47 1.98 -0.57 0.00 0.00 179.45 182.09 3cey h MET 315 N 1.05 1.09 0.00 3.15 4.05 -0.87 -2.51 114.93 120.89 3cey h MET 315 Ca 0.27 -0.10 -0.07 0.00 -0.28 0.00 0.00 59.70 59.51 3cey h MET 315 Cb 0.02 -0.23 -0.01 0.00 -0.80 0.00 0.00 31.60 30.58 3cey h MET 315 CO -0.04 0.77 -0.35 -0.39 0.23 0.00 0.00 176.91 177.13 3cey h VAL 316 N 1.09 0.80 -0.08 -5.77 -1.51 -0.50 -3.05 116.25 107.22 3cey h VAL 316 Ca 0.29 -1.48 -0.15 0.00 -1.23 0.00 0.00 66.70 64.13 3cey h VAL 316 Cb -0.03 1.93 0.01 0.00 -2.13 0.00 0.00 31.29 31.07 3cey h VAL 316 CO -0.05 0.34 -0.54 -0.33 -1.23 0.00 0.00 177.57 175.76 3cey h GLU 317 N 0.00 0.50 -0.71 5.19 4.39 -1.22 -3.05 114.58 119.68 3cey h GLU 317 Ca -0.00 -0.43 0.20 0.00 0.34 0.00 0.00 59.36 59.47 3cey h GLU 317 Cb 0.90 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 3cey h GLU 317 CO 0.05 1.07 0.56 0.66 -1.16 0.00 0.00 179.01 180.19 3cey h SER 318 N 0.08 0.00 -0.60 1.42 4.64 -1.42 -2.49 113.55 115.17 3cey h SER 318 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3cey h SER 318 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3cey h SER 318 CO 0.11 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.30 3cey n MET 319 N -4.10 4.28 -3.04 4.77 2.81 -1.15 -4.65 117.12 116.04 3cey n MET 319 Ca 0.14 -2.95 -0.44 0.00 -1.81 0.00 0.00 57.70 52.64 3cey n MET 319 Cb 0.83 -2.08 -0.05 0.00 -0.71 0.00 0.00 33.22 31.20 3cey n MET 319 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3cey s LYS 320 N -2.29 3.16 0.13 0.03 1.02 -0.94 -4.94 119.74 115.90 3cey s LYS 320 Ca 0.52 -0.80 -0.24 0.00 0.02 0.00 0.00 55.97 55.47 3cey s LYS 320 Cb 0.37 -4.13 -0.07 0.00 -0.52 0.00 0.00 37.83 33.48 3cey s LYS 320 CO 0.20 -1.41 0.73 0.71 -0.92 0.00 0.00 175.35 174.67 3cey s TYR 321 N 3.14 3.86 -0.78 3.18 2.02 -1.26 -4.95 117.35 122.56 3cey s TYR 321 Ca 0.19 1.54 0.13 0.00 -0.37 0.00 0.00 57.07 58.56 3cey s TYR 321 Cb -0.18 -2.72 0.58 0.00 -0.40 0.00 0.00 41.96 39.23 3cey s TYR 321 CO 0.13 0.49 1.39 -0.35 -1.57 0.00 0.00 175.55 175.64 3cey n PRO 322 N 1.82 0.06 -3.85 -1.71 -0.04 -1.26 -4.53 135.00 125.49 3cey n PRO 322 Ca -0.06 0.42 -0.36 0.00 -0.04 0.00 0.00 63.50 63.46 3cey n PRO 322 Cb 0.49 -1.64 -0.06 0.00 -0.04 0.00 0.00 33.50 32.25 3cey n PRO 322 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3cey s PHE 323 N -3.15 3.59 0.14 0.54 0.08 -1.26 -5.05 117.98 112.87 3cey s PHE 323 Ca 0.03 0.53 -0.00 0.00 0.12 0.00 0.00 56.93 57.60 3cey s PHE 323 Cb 0.06 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 3cey s PHE 323 CO 0.19 0.70 0.04 1.03 -0.10 0.00 0.00 175.22 177.08 3cey s ARG 324 N -1.31 0.96 0.43 0.44 0.52 -1.26 -4.99 118.95 113.74 3cey s ARG 324 Ca 0.20 -1.46 -0.23 0.00 -0.52 0.00 0.00 55.73 53.72 3cey s ARG 324 Cb -0.13 0.10 -0.11 0.00 0.52 0.00 0.00 34.95 35.34 3cey s ARG 324 CO 0.09 -0.22 0.85 0.94 0.02 0.00 0.00 175.30 176.98 3cey n GLN 325 N -0.13 1.04 -1.03 3.54 7.27 -1.26 -2.97 117.38 123.85 3cey n GLN 325 Ca -0.06 0.38 -0.01 0.00 0.07 0.00 0.00 57.00 57.38 3cey n GLN 325 Cb 0.63 -1.87 -0.00 0.00 2.41 0.00 0.00 30.24 31.41 3cey n GLN 325 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3cey n GLY 326 N 1.40 0.48 3.73 1.69 0.00 -0.36 -4.99 105.19 107.13 3cey n GLY 326 Ca 0.11 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 3cey n GLY 326 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3cey s MET 327 N -0.83 4.27 -0.07 1.61 -1.94 -1.16 -3.99 119.30 117.20 3cey s MET 327 Ca 0.00 0.15 -0.19 0.00 -1.71 0.00 0.00 55.69 53.94 3cey s MET 327 Cb 0.00 -3.43 -0.05 0.00 2.01 0.00 0.00 34.83 33.36 3cey s MET 327 CO 0.00 0.22 0.51 0.50 -0.01 0.00 0.00 175.02 176.24 3cey s ARG 328 N 0.51 4.28 0.31 2.03 3.52 0.17 -0.62 118.95 129.15 3cey s ARG 328 Ca 0.18 0.54 -0.16 0.00 -0.13 0.00 0.00 55.73 56.16 3cey s ARG 328 Cb -0.13 -3.38 0.02 0.00 -1.56 0.00 0.00 34.95 29.90 3cey s ARG 328 CO 0.05 0.29 0.66 -0.48 -0.81 0.00 0.00 175.30 175.00 3cey s LEU 329 N 0.17 0.07 -0.04 -0.88 2.34 -0.56 -0.94 118.68 118.83 3cey s LEU 329 Ca 0.27 -0.91 0.02 0.00 0.06 0.00 0.00 54.13 53.58 3cey s LEU 329 Cb -0.16 2.42 -0.03 0.00 -0.56 0.00 0.00 46.19 47.85 3cey s LEU 329 CO 0.13 -1.39 -0.09 -1.61 -1.06 0.00 0.00 176.35 172.34 3cey s GLU 330 N -3.44 2.63 -0.01 1.48 2.02 0.20 -1.65 118.70 119.93 3cey s GLU 330 Ca 0.17 -0.64 0.03 0.00 0.02 0.00 0.00 54.97 54.55 3cey s GLU 330 Cb -0.04 -2.51 -0.01 0.00 0.10 0.00 0.00 34.13 31.67 3cey s GLU 330 CO 0.10 0.64 -0.11 0.54 0.02 0.00 0.00 175.26 176.45 3cey s VAL 331 N -0.85 0.84 0.26 2.63 0.11 -0.30 0.18 120.40 123.26 3cey s VAL 331 Ca 0.14 -0.46 -0.31 0.00 -2.93 0.00 0.00 61.98 58.42 3cey s VAL 331 Cb -0.11 -0.70 -0.13 0.00 -1.53 0.00 0.00 36.38 33.90 3cey s VAL 331 CO 0.03 0.23 1.36 0.55 -3.33 0.00 0.00 175.10 173.94 3cey n VAL 332 N 2.80 1.18 -2.42 2.04 3.14 -0.35 -1.81 118.33 122.92 3cey n VAL 332 Ca -0.14 -0.30 -0.43 0.00 -2.96 0.00 0.00 64.34 60.52 3cey n VAL 332 Cb 0.56 -1.45 -0.02 0.00 -1.06 0.00 0.00 33.84 31.87 3cey n VAL 332 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3cey s ASP 333 N 0.13 6.54 0.52 6.55 -1.08 -0.24 -4.88 116.67 124.22 3cey s ASP 333 Ca 0.66 0.96 0.17 0.00 -0.52 0.00 0.00 52.55 53.82 3cey s ASP 333 Cb -0.64 -2.54 1.30 0.00 -1.46 0.00 0.00 42.92 39.57 3cey s ASP 333 CO 0.52 -1.24 2.15 0.07 0.52 0.00 0.00 175.17 177.20 3cey h LYS 334 N 9.83 0.00 0.00 4.34 2.10 -1.90 -0.61 116.57 130.32 3cey h LYS 334 Ca -0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 3cey h LYS 334 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3cey h LYS 334 CO 1.07 0.00 -0.51 -1.13 -2.00 0.00 0.00 179.45 176.88 3cey n SER 335 N -4.50 0.56 -3.01 7.07 3.41 -1.26 -4.50 113.62 111.40 3cey n SER 335 Ca -0.03 0.02 -0.14 0.00 -0.26 0.00 0.00 58.87 58.46 3cey n SER 335 Cb 0.09 0.12 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 3cey n SER 335 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 3cey n GLN 336 N -1.83 0.45 0.00 4.33 7.27 -0.32 -5.02 117.38 122.26 3cey n GLN 336 Ca 0.04 -2.48 0.02 0.00 0.07 0.00 0.00 57.00 54.65 3cey n GLN 336 Cb 0.39 -1.52 0.11 0.00 2.41 0.00 0.00 30.24 31.63 3cey n GLN 336 CO 0.00 0.00 0.00 1.33 0.07 0.00 0.00 177.06 178.46 3cey n VAL 337 N 2.67 0.54 1.32 1.69 0.24 -0.68 -1.58 118.33 122.54 3cey n VAL 337 Ca 0.21 0.14 0.13 0.00 -2.04 0.00 0.00 64.34 62.78 3cey n VAL 337 Cb 0.54 -1.07 0.47 0.00 -1.47 0.00 0.00 33.84 32.31 3cey n VAL 337 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3cey n SER 338 N -1.16 0.89 -4.12 -1.34 3.41 -1.21 -4.48 113.62 105.61 3cey n SER 338 Ca 0.02 -0.85 -0.09 0.00 -0.26 0.00 0.00 58.87 57.69 3cey n SER 338 Cb 0.02 0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 63.93 3cey n SER 338 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cey s ARG 339 N -2.44 0.71 0.36 4.33 1.70 -0.61 -3.92 118.95 119.08 3cey s ARG 339 Ca 0.27 -1.24 0.04 0.00 -0.47 0.00 0.00 55.73 54.33 3cey s ARG 339 Cb 0.20 -0.01 0.07 0.00 -0.57 0.00 0.00 34.95 34.63 3cey s ARG 339 CO 0.49 -0.06 0.50 0.25 -1.08 0.00 0.00 175.30 175.40 3cey n THR 340 N 0.12 0.00 -3.64 4.99 -2.24 0.10 -1.08 114.28 112.53 3cey n THR 340 Ca -0.14 -1.06 -0.06 0.00 -2.27 0.00 0.00 64.05 60.52 3cey n THR 340 Cb 0.61 -0.84 -0.07 0.00 -2.10 0.00 0.00 70.33 67.93 3cey n THR 340 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3cey s ARG 341 N -3.67 0.45 0.33 -0.78 3.52 -0.75 -0.94 118.95 117.11 3cey s ARG 341 Ca 0.36 0.64 -0.28 0.00 -0.13 0.00 0.00 55.73 56.33 3cey s ARG 341 Cb -0.03 0.16 -0.09 0.00 -1.56 0.00 0.00 34.95 33.43 3cey s ARG 341 CO 0.23 -0.07 1.16 -1.64 -0.81 0.00 0.00 175.30 174.17 3cey s MET 342 N 0.80 4.42 0.05 5.12 -1.94 -1.26 -1.15 119.30 125.33 3cey s MET 342 Ca -0.03 1.90 -0.10 0.00 -1.71 0.00 0.00 55.69 55.74 3cey s MET 342 Cb -0.04 -3.01 0.01 0.00 2.01 0.00 0.00 34.83 33.79 3cey s MET 342 CO -0.11 -0.02 0.22 0.00 -0.01 0.00 0.00 175.02 175.10 3cey s ALA 343 N -1.24 -0.41 -0.09 3.03 0.00 -0.66 -2.06 121.76 120.33 3cey s ALA 343 Ca 0.49 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3cey s ALA 343 Cb -0.33 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.08 3cey s ALA 343 CO 0.43 -0.39 -0.09 0.08 0.00 0.00 0.00 175.76 175.78 3cey s VAL 344 N -2.71 3.46 0.12 0.00 1.01 0.14 -1.49 120.40 120.93 3cey s VAL 344 Ca -0.04 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.09 3cey s VAL 344 Cb -0.00 -2.43 -0.06 0.00 0.00 0.00 0.00 36.38 33.89 3cey s VAL 344 CO -0.05 0.56 1.05 -0.69 0.00 0.00 0.00 175.10 175.98 3cey s VAL 345 N -0.34 4.20 0.00 2.92 1.01 0.21 -0.12 120.40 128.28 3cey s VAL 345 Ca 0.04 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.82 3cey s VAL 345 Cb -0.12 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.11 3cey s VAL 345 CO 0.02 0.26 0.00 -0.67 0.00 0.00 0.00 175.10 174.72 3cey n ASP 346 N 2.85 0.00 -4.88 3.32 2.03 0.76 -1.22 116.55 119.41 3cey n ASP 346 Ca 0.04 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.07 3cey n ASP 346 Cb 0.48 -0.14 -0.04 0.00 -0.72 0.00 0.00 41.12 40.69 3cey n ASP 346 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3cey s THR 347 N -0.56 5.03 -0.10 5.18 2.01 -1.20 -4.33 115.64 121.67 3cey s THR 347 Ca 0.00 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.23 3cey s THR 347 Cb 0.00 -3.53 0.05 0.00 0.01 0.00 0.00 72.50 69.03 3cey s THR 347 CO 0.00 -0.02 0.20 -0.69 -0.69 0.00 0.00 174.62 173.42 3cey s VAL 348 N -1.65 -0.29 -0.11 3.82 1.01 -1.26 -1.72 120.40 120.19 3cey s VAL 348 Ca 0.33 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.58 3cey s VAL 348 Cb -0.11 -0.35 0.06 0.00 0.00 0.00 0.00 36.38 35.98 3cey s VAL 348 CO 0.26 0.13 0.18 -0.51 0.00 0.00 0.00 175.10 175.16 3cey s ILE 349 N 2.21 -0.28 -1.50 2.22 2.07 -0.46 -4.86 121.20 120.61 3cey s ILE 349 Ca 0.01 0.24 0.00 0.00 -1.41 0.00 0.00 60.65 59.49 3cey s ILE 349 Cb -0.12 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.08 3cey s ILE 349 CO -0.07 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.64 3cey n GLY 350 N 5.32 -0.44 1.28 1.50 0.00 -1.26 -1.22 105.19 110.37 3cey n GLY 350 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3cey n GLY 350 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cey n GLY 351 N -0.91 0.82 3.89 -0.02 0.00 -1.26 -4.96 105.19 102.75 3cey n GLY 351 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3cey n GLY 351 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cey s ARG 352 N -0.57 3.61 -0.13 1.61 0.52 -0.36 -1.01 118.95 122.62 3cey s ARG 352 Ca 0.00 -0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.18 3cey s ARG 352 Cb 0.00 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.45 3cey s ARG 352 CO 0.00 0.60 -0.20 -0.51 0.02 0.00 0.00 175.30 175.21 3cey s LEU 353 N -1.97 2.00 -0.18 2.53 1.43 0.17 -1.36 118.68 121.30 3cey s LEU 353 Ca 0.31 -0.55 -0.20 0.00 -1.03 0.00 0.00 54.13 52.66 3cey s LEU 353 Cb -0.13 -1.34 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 3cey s LEU 353 CO 0.18 0.07 0.59 -0.60 0.23 0.00 0.00 176.35 176.82 3cey s ARG 354 N 0.81 4.24 0.02 1.70 3.52 -0.70 -1.89 118.95 126.65 3cey s ARG 354 Ca -0.08 0.57 0.03 0.00 -0.13 0.00 0.00 55.73 56.12 3cey s ARG 354 Cb -0.16 -3.54 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 3cey s ARG 354 CO -0.01 -0.14 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.78 3cey s LEU 355 N 1.58 3.25 -0.10 -0.88 1.43 0.23 -0.17 118.68 124.03 3cey s LEU 355 Ca 0.28 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.27 3cey s LEU 355 Cb -0.16 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 3cey s LEU 355 CO 0.11 0.26 -0.23 -0.76 0.23 0.00 0.00 176.35 175.96 3cey s LEU 356 N -1.60 2.13 0.43 1.79 1.43 0.83 -2.19 118.68 121.50 3cey s LEU 356 Ca 0.19 -0.54 -0.24 0.00 -1.03 0.00 0.00 54.13 52.50 3cey s LEU 356 Cb -0.11 -1.42 -0.08 0.00 0.03 0.00 0.00 46.19 44.61 3cey s LEU 356 CO 0.10 0.17 1.23 -0.31 0.23 0.00 0.00 176.35 177.76 3cey s TYR 357 N 0.31 2.86 0.25 0.29 2.02 -1.26 0.26 117.35 122.07 3cey s TYR 357 Ca -0.17 1.49 0.01 0.00 -0.37 0.00 0.00 57.07 58.02 3cey s TYR 357 Cb -0.18 -3.51 0.30 0.00 -0.40 0.00 0.00 41.96 38.17 3cey s TYR 357 CO 0.08 -1.76 1.64 0.93 -1.57 0.00 0.00 175.55 174.87 3cey h GLU 358 N 2.36 0.48 -2.06 -0.62 5.08 -1.77 -3.46 114.58 114.58 3cey h GLU 358 Ca -0.49 -0.23 -0.57 0.00 -1.00 0.00 0.00 59.36 57.07 3cey h GLU 358 Cb 1.25 -0.01 -0.39 0.00 0.50 0.00 0.00 28.75 30.10 3cey h GLU 358 CO 0.61 0.78 -1.07 -0.40 -1.00 0.00 0.00 179.01 177.94 3cey n ASP 359 N -4.05 0.26 0.00 1.42 5.75 -1.26 -5.11 116.55 113.56 3cey n ASP 359 Ca -0.01 -2.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.08 3cey n ASP 359 Cb 0.48 -0.63 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 3cey n ASP 359 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3cey n ASP 363 N 1.58 0.00 -4.66 -1.12 5.75 -1.26 -5.21 116.55 111.63 3cey n ASP 363 Ca 0.23 0.00 -0.42 0.00 -0.01 0.00 0.00 54.79 54.59 3cey n ASP 363 Cb 0.52 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.57 3cey n ASP 363 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3cey s ASP 364 N -4.00 6.95 0.19 -1.12 3.68 -1.26 -5.02 116.67 116.09 3cey s ASP 364 Ca 0.00 1.18 -0.03 0.00 2.13 0.00 0.00 52.55 55.83 3cey s ASP 364 Cb 0.00 -2.47 0.01 0.00 -1.45 0.00 0.00 42.92 39.01 3cey s ASP 364 CO 0.00 -0.52 0.30 -0.90 0.13 0.00 0.00 175.17 174.18 3cey n ASP 365 N 5.82 -0.85 -3.68 -0.34 5.68 -1.26 -4.53 116.55 117.39 3cey n ASP 365 Ca 0.07 -1.92 -0.16 0.00 -0.50 0.00 0.00 54.79 52.28 3cey n ASP 365 Cb 0.48 1.51 -0.15 0.00 -1.14 0.00 0.00 41.12 41.82 3cey n ASP 365 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 3cey s PHE 366 N -4.45 -0.22 -0.18 2.11 5.36 -0.93 -4.99 117.98 114.69 3cey s PHE 366 Ca 0.13 0.65 -0.09 0.00 -0.96 0.00 0.00 56.93 56.66 3cey s PHE 366 Cb -0.01 -0.18 -0.05 0.00 -0.34 0.00 0.00 43.02 42.44 3cey s PHE 366 CO 0.09 -0.26 0.11 -1.58 -1.46 0.00 0.00 175.22 172.11 3cey s TRP 367 N 2.07 3.38 0.29 10.12 0.52 -1.26 0.78 118.94 134.83 3cey s TRP 367 Ca 0.00 0.27 -0.10 0.00 0.02 0.00 0.00 56.10 56.30 3cey s TRP 367 Cb -0.12 -2.09 0.00 0.00 -1.15 0.00 0.00 33.47 30.11 3cey s TRP 367 CO -0.06 0.31 0.50 0.00 0.02 0.00 0.00 176.95 177.72 3cey s HIS 369 N -3.56 3.51 -0.13 0.00 2.46 -1.26 0.43 115.29 116.73 3cey s HIS 369 Ca 0.25 0.94 0.30 0.00 0.47 0.00 0.00 55.06 57.01 3cey s HIS 369 Cb -0.01 -2.55 1.05 0.00 -0.13 0.00 0.00 32.58 30.94 3cey s HIS 369 CO 0.13 -0.56 1.85 0.00 -2.47 0.00 0.00 174.74 173.69 3cey h MET 370 N -0.07 0.00 -0.47 2.88 -0.00 -1.43 -2.67 114.93 113.17 3cey h MET 370 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.24 3cey h MET 370 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.81 3cey h MET 370 CO 0.62 0.00 0.00 0.91 -0.00 0.00 0.00 176.91 178.44 3cey n TRP 371 N -2.96 0.64 -2.20 -0.10 7.02 -1.26 -4.48 117.44 114.09 3cey n TRP 371 Ca 0.02 -0.28 -0.41 0.00 -1.02 0.00 0.00 57.50 55.81 3cey n TRP 371 Cb 0.36 -0.07 -0.03 0.00 -2.42 0.00 0.00 31.31 29.15 3cey n TRP 371 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3cey s SER 372 N -0.86 6.88 0.00 -0.99 0.15 -1.01 -4.83 113.70 113.04 3cey s SER 372 Ca 0.26 2.58 0.14 0.00 0.70 0.00 0.00 55.95 59.64 3cey s SER 372 Cb 0.15 -2.64 0.71 0.00 -1.71 0.00 0.00 66.02 62.53 3cey s SER 372 CO 0.15 -0.45 1.41 -0.81 1.20 0.00 0.00 173.24 174.74 3cey n PRO 373 N 0.87 0.17 0.10 5.44 -0.04 -1.26 -3.37 135.00 136.91 3cey n PRO 373 Ca -0.00 0.17 0.13 0.00 -0.04 0.00 0.00 63.50 63.75 3cey n PRO 373 Cb 0.43 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.68 3cey n PRO 373 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3cey h LEU 374 N 0.00 0.00 -9.37 1.53 3.38 -1.95 -3.46 115.31 105.44 3cey h LEU 374 Ca 0.00 -0.08 -0.66 0.00 0.09 0.00 0.00 57.88 57.23 3cey h LEU 374 Cb 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.77 3cey h LEU 374 CO 0.00 0.04 -0.67 0.27 0.09 0.00 0.00 178.44 178.17 3cey s ILE 375 N -3.14 3.96 0.01 1.22 -4.36 -1.22 -1.21 121.20 116.46 3cey s ILE 375 Ca 0.08 -0.83 -0.10 0.00 -0.26 0.00 0.00 60.65 59.55 3cey s ILE 375 Cb 0.12 -2.81 0.01 0.00 1.25 0.00 0.00 42.46 41.02 3cey s ILE 375 CO 0.65 0.26 0.19 -1.00 0.24 0.00 0.00 174.94 175.28 3cey s HIS 376 N -1.17 0.01 0.41 1.37 3.76 0.13 -4.94 115.29 114.85 3cey s HIS 376 Ca 0.22 -0.11 -0.26 0.00 -0.15 0.00 0.00 55.06 54.76 3cey s HIS 376 Cb -0.11 -0.02 -0.08 0.00 1.11 0.00 0.00 32.58 33.48 3cey s HIS 376 CO 0.13 -0.36 1.28 -1.25 -0.85 0.00 0.00 174.74 173.70 3cey s PRO 377 N -1.81 3.93 0.10 8.40 0.04 -1.26 0.59 135.00 144.99 3cey s PRO 377 Ca -0.11 2.11 -0.31 0.00 0.04 0.00 0.00 61.00 62.73 3cey s PRO 377 Cb -0.05 -2.71 -0.09 0.00 0.04 0.00 0.00 34.50 31.69 3cey s PRO 377 CO 0.00 -0.51 1.70 0.54 0.04 0.00 0.00 177.00 178.77 3cey s VAL 378 N -1.29 2.83 0.00 -0.36 0.11 -1.26 -1.83 120.40 118.60 3cey s VAL 378 Ca 0.58 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.98 3cey s VAL 378 Cb -0.37 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 3cey s VAL 378 CO 0.47 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 3cey n GLY 379 N 4.04 2.11 0.21 6.54 0.00 -1.26 -5.01 105.19 111.82 3cey n GLY 379 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3cey n GLY 379 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3cey h TRP 380 N 0.00 -0.45 -0.37 1.61 7.01 -1.74 -2.79 115.95 119.22 3cey h TRP 380 Ca 0.00 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.06 3cey h TRP 380 Cb 0.00 0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.19 3cey h TRP 380 CO 0.00 -0.26 0.07 0.77 -2.79 0.00 0.00 178.44 176.24 3cey h SER 381 N -0.36 0.01 0.98 2.65 0.02 -1.86 0.85 113.55 115.84 3cey h SER 381 Ca 0.01 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 3cey h SER 381 Cb 0.35 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 3cey h SER 381 CO -0.07 0.04 -0.04 0.03 -1.14 0.00 0.00 176.83 175.65 3cey h ARG 382 N 0.20 0.00 0.05 3.45 -0.00 -1.77 -0.29 114.38 116.01 3cey h ARG 382 Ca 0.18 0.00 -0.26 0.00 -0.50 0.00 0.00 59.98 59.40 3cey h ARG 382 Cb 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.15 3cey h ARG 382 CO -0.23 0.04 -1.34 -0.09 0.00 0.00 0.00 179.97 178.35 3cey h ARG 383 N 0.00 0.10 0.00 0.04 2.43 -0.64 -3.34 114.38 112.97 3cey h ARG 383 Ca -0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3cey h ARG 383 Cb 0.55 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 3cey h ARG 383 CO 0.01 0.94 -1.56 1.33 -1.51 0.00 0.00 179.97 179.18 3cey n VAL 384 N -3.33 0.04 -0.35 0.20 0.24 -0.08 -4.85 118.33 110.20 3cey n VAL 384 Ca -0.10 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 3cey n VAL 384 Cb 1.00 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 33.69 3cey n VAL 384 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3cey n GLY 385 N 1.34 1.10 3.81 7.63 0.00 -0.54 -2.24 105.19 116.29 3cey n GLY 385 Ca -0.01 -0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 3cey n GLY 385 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3cey s HIS 386 N -2.00 3.73 0.31 1.61 5.04 -0.23 -5.02 115.29 118.72 3cey s HIS 386 Ca 0.00 1.35 -0.29 0.00 -1.54 0.00 0.00 55.06 54.58 3cey s HIS 386 Cb 0.00 -2.57 -0.13 0.00 0.04 0.00 0.00 32.58 29.92 3cey s HIS 386 CO 0.00 0.45 1.36 0.41 -2.34 0.00 0.00 174.74 174.61 3cey n GLY 387 N 1.14 0.72 2.93 1.59 0.00 -1.25 -4.47 105.19 105.85 3cey n GLY 387 Ca -0.05 0.39 -0.22 0.00 0.00 0.00 0.00 46.02 46.13 3cey n GLY 387 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3cey s ILE 388 N -0.67 0.77 -0.07 -0.61 2.07 -1.26 0.01 121.20 121.43 3cey s ILE 388 Ca 0.60 -0.24 -0.25 0.00 -1.41 0.00 0.00 60.65 59.35 3cey s ILE 388 Cb -0.59 -0.76 -0.20 0.00 0.13 0.00 0.00 42.46 41.04 3cey s ILE 388 CO 0.57 0.28 0.93 0.50 -1.91 0.00 0.00 174.94 175.32 3cey h LYS 389 N 7.27 -0.06 -5.57 3.50 3.11 -1.38 -3.47 116.57 119.97 3cey h LYS 389 Ca -0.34 0.00 -0.61 0.00 -2.81 0.00 0.00 60.65 56.90 3cey h LYS 389 Cb 1.16 0.01 0.12 0.00 -1.00 0.00 0.00 32.23 32.52 3cey h LYS 389 CO 0.45 0.57 -0.62 0.00 -2.81 0.00 0.00 179.45 177.04 3cey s ASP 409 N -0.93 6.77 0.23 0.00 1.01 -1.26 -0.65 116.67 121.83 3cey s ASP 409 Ca 0.58 0.91 -0.30 0.00 0.71 0.00 0.00 52.55 54.45 3cey s ASP 409 Cb -0.77 -2.25 -0.09 0.00 1.01 0.00 0.00 42.92 40.81 3cey s ASP 409 CO 0.54 0.25 1.38 0.00 0.21 0.00 0.00 175.17 177.55 3cey s ALA 410 N -0.66 3.58 0.45 5.23 0.00 -0.12 -4.83 121.76 125.40 3cey s ALA 410 Ca 0.24 1.22 -0.22 0.00 0.00 0.00 0.00 51.96 53.20 3cey s ALA 410 Cb -0.16 -3.52 -0.08 0.00 0.00 0.00 0.00 23.12 19.36 3cey s ALA 410 CO 0.12 -0.64 1.08 0.08 0.00 0.00 0.00 175.76 176.40 3cey s VAL 411 N 0.04 3.57 0.54 0.00 1.01 -1.26 -4.06 120.40 120.23 3cey s VAL 411 Ca 0.58 1.12 0.34 0.00 0.00 0.00 0.00 61.98 64.02 3cey s VAL 411 Cb -0.39 -3.53 0.52 0.00 0.00 0.00 0.00 36.38 32.98 3cey s VAL 411 CO 0.41 -0.08 1.84 -0.65 0.00 0.00 0.00 175.10 176.62 3cey h PRO 412 N 2.05 0.01 -0.99 2.72 0.11 -1.95 -1.94 132.00 132.02 3cey h PRO 412 Ca -0.49 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.75 3cey h PRO 412 Cb 1.23 -0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 3cey h PRO 412 CO 0.61 0.01 0.61 1.88 -0.21 0.00 0.00 178.00 180.89 3cey h TYR 413 N 0.01 1.10 0.00 0.65 0.99 -2.01 -2.35 116.97 115.37 3cey h TYR 413 Ca 0.51 0.03 0.00 0.00 2.00 0.00 0.00 58.73 61.28 3cey h TYR 413 Cb 2.04 -0.34 0.00 0.00 1.00 0.00 0.00 36.73 39.42 3cey h TYR 413 CO -0.00 0.41 0.00 1.28 -0.00 0.00 0.00 178.16 179.85 3cey n LEU 414 N -4.66 0.57 -4.93 3.88 4.32 -0.73 -4.84 117.00 110.62 3cey n LEU 414 Ca 0.19 0.64 -0.27 0.00 -0.02 0.00 0.00 56.01 56.55 3cey n LEU 414 Cb 0.38 -0.56 -0.03 0.00 -1.62 0.00 0.00 43.42 41.59 3cey n LEU 414 CO 0.26 -0.51 0.10 -0.36 -1.22 0.00 0.00 177.39 175.66 3cey s PHE 415 N -3.27 3.48 -0.05 -1.77 0.08 -0.89 -4.98 117.98 110.59 3cey s PHE 415 Ca 0.05 0.40 -0.30 0.00 0.12 0.00 0.00 56.93 57.20 3cey s PHE 415 Cb 0.09 -1.91 -0.08 0.00 -0.57 0.00 0.00 43.02 40.55 3cey s PHE 415 CO 0.38 0.28 2.04 1.17 -0.10 0.00 0.00 175.22 178.98 3cey n LYS 416 N -1.00 2.55 -2.28 0.44 3.00 -1.26 -4.86 118.16 114.75 3cey n LYS 416 Ca -0.04 0.89 -0.43 0.00 -0.00 0.00 0.00 58.31 58.73 3cey n LYS 416 Cb 0.54 -3.03 -0.02 0.00 0.00 0.00 0.00 35.03 32.52 3cey n LYS 416 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3cey s LYS 417 N 4.95 3.91 0.49 1.64 -0.14 -1.26 -4.96 119.74 124.37 3cey s LYS 417 Ca 0.93 1.48 -0.23 0.00 -1.36 0.00 0.00 55.97 56.79 3cey s LYS 417 Cb -0.44 -3.93 -0.06 0.00 -1.68 0.00 0.00 37.83 31.71 3cey s LYS 417 CO 0.41 -1.14 1.30 0.14 -0.76 0.00 0.00 175.35 175.30 3cey s VAL 418 N 4.61 2.45 -0.17 3.17 -7.23 -1.26 -4.90 120.40 117.07 3cey s VAL 418 Ca 0.63 0.35 -0.35 0.00 -1.81 0.00 0.00 61.98 60.80 3cey s VAL 418 Cb -0.21 -3.19 -0.16 0.00 0.56 0.00 0.00 36.38 33.38 3cey s VAL 418 CO 0.25 0.01 1.06 0.54 -0.31 0.00 0.00 175.10 176.65 3cey n ARG 419 N -0.64 0.00 -2.40 4.82 1.74 -1.26 -4.96 116.66 113.96 3cey n ARG 419 Ca 0.08 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.79 3cey n ARG 419 Cb 0.45 -1.24 -0.03 0.00 -1.02 0.00 0.00 32.46 30.63 3cey n ARG 419 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cey s ALA 420 N 1.02 3.08 -0.14 7.54 0.00 -1.26 -4.98 121.76 127.02 3cey s ALA 420 Ca 0.80 0.84 -0.02 0.00 0.00 0.00 0.00 51.96 53.57 3cey s ALA 420 Cb -1.12 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 18.64 3cey s ALA 420 CO 0.55 -0.41 -0.08 0.08 0.00 0.00 0.00 175.76 175.91 3cey s VAL 421 N -1.55 3.55 -0.24 0.00 1.01 -1.26 -5.09 120.40 116.83 3cey s VAL 421 Ca 0.59 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 3cey s VAL 421 Cb -0.26 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 3cey s VAL 421 CO 0.33 0.51 -0.01 -0.31 0.00 0.00 0.00 175.10 175.61 3cey s TYR 422 N 0.34 3.01 0.01 5.22 1.51 -1.26 -5.11 117.35 121.07 3cey s TYR 422 Ca -0.07 -0.89 0.03 0.00 -1.01 0.00 0.00 57.07 55.14 3cey s TYR 422 Cb -0.15 -2.14 -0.01 0.00 -0.11 0.00 0.00 41.96 39.55 3cey s TYR 422 CO 0.04 -0.53 -0.11 -0.08 -1.11 0.00 0.00 175.55 173.76 3cey s THR 423 N 1.50 0.84 -0.10 -0.71 -1.32 -1.26 -5.14 115.64 109.44 3cey s THR 423 Ca 0.05 -0.67 -0.05 0.00 -1.21 0.00 0.00 61.69 59.82 3cey s THR 423 Cb -0.15 -0.75 -0.04 0.00 -1.51 0.00 0.00 72.50 70.06 3cey s THR 423 CO -0.02 0.08 0.08 -1.83 -2.21 0.00 0.00 174.62 170.72 3cey s GLU 424 N -0.67 3.23 3.44 7.08 1.03 -1.26 -5.04 118.70 126.52 3cey s GLU 424 Ca 0.01 -0.26 0.00 0.00 0.03 0.00 0.00 54.97 54.76 3cey s GLU 424 Cb -0.06 -3.01 0.00 0.00 -0.80 0.00 0.00 34.13 30.26 3cey s GLU 424 CO 0.00 0.74 0.00 0.41 -1.33 0.00 0.00 175.26 175.09 3cey n GLY 425 N 2.06 2.27 3.58 -3.83 0.00 -1.26 -4.81 105.19 103.21 3cey n GLY 425 Ca -0.19 -0.32 -0.46 0.00 0.00 0.00 0.00 46.02 45.05 3cey n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cey n GLY 426 N 0.00 -0.20 4.00 -0.02 0.00 -1.26 -5.04 105.19 102.67 3cey n GLY 426 Ca 0.00 0.39 -0.22 0.00 0.00 0.00 0.00 46.02 46.19 3cey n GLY 426 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3cey s TRP 427 N -0.78 1.27 0.18 1.61 -0.00 -1.26 -5.06 118.94 114.90 3cey s TRP 427 Ca 0.63 -0.81 -0.33 0.00 -0.00 0.00 0.00 56.10 55.58 3cey s TRP 427 Cb -0.75 -2.09 -0.14 0.00 -0.00 0.00 0.00 33.47 30.50 3cey s TRP 427 CO 0.57 -1.04 1.58 1.19 -0.00 0.00 0.00 176.95 179.25 3cey n PHE 428 N -2.15 2.33 -4.44 5.86 3.72 -1.26 -5.02 117.46 116.51 3cey n PHE 428 Ca 0.11 0.26 -0.24 0.00 -0.05 0.00 0.00 57.45 57.53 3cey n PHE 428 Cb 0.63 -2.55 -0.13 0.00 -0.94 0.00 0.00 39.48 36.48 3cey n PHE 428 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3cey s GLU 429 N 0.76 1.20 -0.02 -1.08 2.02 -1.26 -4.94 118.70 115.37 3cey s GLU 429 Ca 0.77 -1.01 -0.39 0.00 0.02 0.00 0.00 54.97 54.36 3cey s GLU 429 Cb -0.65 -1.35 -0.18 0.00 0.10 0.00 0.00 34.13 32.04 3cey s GLU 429 CO 0.39 0.33 1.31 -1.91 0.02 0.00 0.00 175.26 175.39 3cey n GLU 430 N 1.51 0.66 0.00 1.61 2.13 -1.26 -2.52 120.64 122.77 3cey n GLU 430 Ca -0.18 0.24 0.00 0.00 0.66 0.00 0.00 57.16 57.88 3cey n GLU 430 Cb 0.54 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.42 3cey n GLU 430 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cey n GLY 431 N 2.44 2.41 3.75 8.31 0.00 0.24 -4.99 105.19 117.35 3cey n GLY 431 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3cey n GLY 431 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3cey s MET 432 N -0.72 4.41 0.04 1.61 -1.94 -1.05 -4.53 119.30 117.12 3cey s MET 432 Ca 0.00 2.08 -0.02 0.00 -1.71 0.00 0.00 55.69 56.04 3cey s MET 432 Cb 0.00 -3.15 -0.04 0.00 2.01 0.00 0.00 34.83 33.64 3cey s MET 432 CO 0.00 -0.18 0.23 0.15 -0.01 0.00 0.00 175.02 175.21 3cey s LYS 433 N -0.81 3.48 0.24 2.03 -0.14 -0.23 -0.24 119.74 124.08 3cey s LYS 433 Ca 0.53 -0.32 -0.08 0.00 -1.36 0.00 0.00 55.97 54.74 3cey s LYS 433 Cb -0.37 -3.04 0.03 0.00 -1.68 0.00 0.00 37.83 32.77 3cey s LYS 433 CO 0.43 0.62 0.47 1.47 -0.76 0.00 0.00 175.35 177.58 3cey n LEU 434 N 0.57 0.00 -4.63 3.17 -0.00 -0.55 -1.12 117.00 114.45 3cey n LEU 434 Ca -0.07 -1.58 -0.34 0.00 -0.00 0.00 0.00 56.01 54.01 3cey n LEU 434 Cb 0.52 2.28 -0.10 0.00 -0.00 0.00 0.00 43.42 46.11 3cey n LEU 434 CO 0.48 -0.51 -0.35 -1.61 -0.00 0.00 0.00 177.39 175.39 3cey s GLU 435 N -2.09 2.80 -0.06 1.47 2.02 -0.06 -0.30 118.70 122.48 3cey s GLU 435 Ca 0.10 -0.53 -0.10 0.00 0.02 0.00 0.00 54.97 54.46 3cey s GLU 435 Cb -0.03 -2.65 0.02 0.00 0.10 0.00 0.00 34.13 31.57 3cey s GLU 435 CO 0.08 0.66 0.25 0.00 0.02 0.00 0.00 175.26 176.27 3cey s ALA 436 N -0.89 -0.62 0.11 5.21 0.00 -0.58 0.82 121.76 125.82 3cey s ALA 436 Ca 0.14 0.50 -0.31 0.00 0.00 0.00 0.00 51.96 52.29 3cey s ALA 436 Cb -0.11 -0.23 -0.08 0.00 0.00 0.00 0.00 23.12 22.70 3cey s ALA 436 CO 0.03 -0.17 1.37 0.42 0.00 0.00 0.00 175.76 177.42 3cey s ILE 437 N -0.42 3.36 -0.28 0.00 1.01 -0.60 0.11 121.20 124.37 3cey s ILE 437 Ca -0.05 0.98 -0.29 0.00 0.00 0.00 0.00 60.65 61.29 3cey s ILE 437 Cb -0.04 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.80 3cey s ILE 437 CO 0.01 0.08 1.49 -0.62 0.00 0.00 0.00 174.94 175.90 3cey s ASP 438 N 1.06 6.44 0.56 3.58 2.15 -0.30 -4.90 116.67 125.26 3cey s ASP 438 Ca 0.64 1.34 0.24 0.00 0.43 0.00 0.00 52.55 55.20 3cey s ASP 438 Cb -0.36 -2.54 1.55 0.00 -0.30 0.00 0.00 42.92 41.27 3cey s ASP 438 CO 0.30 -1.25 2.15 1.55 -0.17 0.00 0.00 175.17 177.76 3cey h PRO 439 N 10.35 0.00 0.00 4.34 0.13 -1.92 -1.81 132.00 143.10 3cey h PRO 439 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 3cey h PRO 439 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3cey h PRO 439 CO 1.03 0.00 -0.53 1.28 -0.23 0.00 0.00 178.00 179.54 3cey n LEU 440 N -4.13 0.54 -3.41 1.56 4.77 -1.26 -4.56 117.00 110.50 3cey n LEU 440 Ca -0.00 0.09 -0.23 0.00 -0.03 0.00 0.00 56.01 55.84 3cey n LEU 440 Cb 0.21 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 40.96 3cey n LEU 440 CO 0.31 0.06 -0.24 0.21 -1.33 0.00 0.00 177.39 176.41 3cey s ASN 441 N -3.40 2.04 0.00 -1.43 3.84 -0.70 -5.02 114.94 110.28 3cey s ASN 441 Ca 0.09 -1.86 0.19 0.00 0.21 0.00 0.00 52.86 51.49 3cey s ASN 441 Cb 0.16 0.10 0.90 0.00 -0.55 0.00 0.00 41.25 41.86 3cey s ASN 441 CO 0.70 -0.28 1.59 0.18 -2.79 0.00 0.00 177.10 176.49 3cey n LEU 442 N 4.16 0.00 -0.02 3.21 4.77 -1.08 -0.81 117.00 127.23 3cey n LEU 442 Ca 0.11 0.36 0.14 0.00 -0.03 0.00 0.00 56.01 56.59 3cey n LEU 442 Cb 0.41 -0.36 0.60 0.00 -2.33 0.00 0.00 43.42 41.75 3cey n LEU 442 CO 0.11 -0.13 0.89 0.61 -1.33 0.00 0.00 177.39 177.54 3cey n GLY 443 N 0.35 -1.32 3.35 -0.72 0.00 -1.18 -0.71 105.19 104.98 3cey n GLY 443 Ca 0.07 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3cey n GLY 443 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cey s ASN 444 N -2.81 3.64 -0.22 1.61 0.02 0.01 -4.85 114.94 112.35 3cey s ASN 444 Ca 0.20 -0.37 -0.04 0.00 -1.02 0.00 0.00 52.86 51.62 3cey s ASN 444 Cb 0.19 -1.14 -0.01 0.00 0.02 0.00 0.00 41.25 40.30 3cey s ASN 444 CO 0.53 0.24 -0.02 -0.63 0.02 0.00 0.00 177.10 177.24 3cey s ILE 445 N -0.11 3.62 0.20 0.60 1.01 -1.26 -1.16 121.20 124.11 3cey s ILE 445 Ca -0.03 -0.41 0.09 0.00 0.00 0.00 0.00 60.65 60.30 3cey s ILE 445 Cb -0.14 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3cey s ILE 445 CO 0.04 0.41 -0.18 0.00 0.00 0.00 0.00 174.94 175.22 3cey s VAL 447 N -2.42 4.14 0.28 0.00 1.01 -0.92 -1.53 120.40 120.97 3cey s VAL 447 Ca 0.21 1.43 0.03 0.00 0.00 0.00 0.00 61.98 63.65 3cey s VAL 447 Cb -0.04 -3.92 -0.06 0.00 0.00 0.00 0.00 36.38 32.36 3cey s VAL 447 CO 0.08 -0.07 0.06 0.00 0.00 0.00 0.00 175.10 175.17 3cey s ALA 448 N 3.02 1.98 -0.01 5.51 0.00 0.59 -2.36 121.76 130.49 3cey s ALA 448 Ca 0.58 -1.92 0.01 0.00 0.00 0.00 0.00 51.96 50.63 3cey s ALA 448 Cb -0.25 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.65 3cey s ALA 448 CO 0.19 -0.36 -0.04 0.99 0.00 0.00 0.00 175.76 176.55 3cey s THR 449 N -3.51 0.33 -0.23 0.00 2.01 0.13 -1.48 115.64 112.89 3cey s THR 449 Ca 0.35 -0.13 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 3cey s THR 449 Cb 0.08 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.25 3cey s THR 449 CO 0.13 0.12 1.61 -0.69 -0.69 0.00 0.00 174.62 175.10 3cey s VAL 450 N 0.21 3.71 -0.14 3.82 1.01 0.67 -1.27 120.40 128.41 3cey s VAL 450 Ca -0.02 0.79 0.17 0.00 0.00 0.00 0.00 61.98 62.93 3cey s VAL 450 Cb -0.05 -3.73 -0.24 0.00 0.00 0.00 0.00 36.38 32.36 3cey s VAL 450 CO -0.00 -0.31 0.35 0.00 0.00 0.00 0.00 175.10 175.14 3cey s LYS 452 N -2.72 0.64 -0.39 0.00 2.20 -1.00 -4.87 119.74 113.59 3cey s LYS 452 Ca -0.08 0.58 -0.12 0.00 -0.36 0.00 0.00 55.97 55.99 3cey s LYS 452 Cb 0.08 0.31 0.03 0.00 -1.51 0.00 0.00 37.83 36.73 3cey s LYS 452 CO 0.84 -0.11 0.24 0.08 -0.36 0.00 0.00 175.35 176.04 3cey s VAL 453 N -0.08 4.83 0.72 4.02 1.01 -1.26 -0.80 120.40 128.84 3cey s VAL 453 Ca 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 3cey s VAL 453 Cb -0.04 -3.70 0.17 0.00 0.00 0.00 0.00 36.38 32.80 3cey s VAL 453 CO -0.02 -0.28 0.94 0.18 0.00 0.00 0.00 175.10 175.93 3cey n LEU 454 N 5.06 0.00 -4.86 3.92 4.77 0.01 -4.99 117.00 120.91 3cey n LEU 454 Ca -0.11 -1.03 -0.31 0.00 -0.03 0.00 0.00 56.01 54.53 3cey n LEU 454 Cb 0.46 -0.73 0.04 0.00 -2.33 0.00 0.00 43.42 40.86 3cey n LEU 454 CO 0.38 -1.24 0.73 -0.76 -1.33 0.00 0.00 177.39 175.17 3cey s LEU 455 N 0.00 3.05 -1.20 2.23 1.43 -0.95 -4.34 118.68 118.90 3cey s LEU 455 Ca 0.54 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 3cey s LEU 455 Cb -0.02 -4.26 0.00 0.00 0.03 0.00 0.00 46.19 41.94 3cey s LEU 455 CO 0.38 -1.22 0.00 0.47 0.23 0.00 0.00 176.35 176.21 3cey n ASP 456 N -2.96 -4.28 0.00 2.29 10.43 -1.26 -2.63 116.55 118.14 3cey n ASP 456 Ca 0.07 0.22 0.00 0.00 2.57 0.00 0.00 54.79 57.64 3cey n ASP 456 Cb 0.55 -3.00 0.00 0.00 1.84 0.00 0.00 41.12 40.51 3cey n ASP 456 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3cey n GLY 457 N -1.39 0.74 3.83 0.44 0.00 -1.26 -4.93 105.19 102.61 3cey n GLY 457 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 3cey n GLY 457 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cey s TYR 458 N -2.72 3.34 -0.04 1.61 1.51 -1.08 -0.20 117.35 119.78 3cey s TYR 458 Ca 0.00 1.51 0.01 0.00 -1.01 0.00 0.00 57.07 57.58 3cey s TYR 458 Cb 0.00 -2.77 0.02 0.00 -0.11 0.00 0.00 41.96 39.09 3cey s TYR 458 CO 0.00 -0.09 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.79 3cey s LEU 459 N -3.22 1.45 -0.26 -1.29 1.43 -0.58 -0.81 118.68 115.41 3cey s LEU 459 Ca 0.60 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 53.29 3cey s LEU 459 Cb -0.09 -0.46 0.00 0.00 0.03 0.00 0.00 46.19 45.67 3cey s LEU 459 CO 0.16 -0.03 0.94 -0.04 0.23 0.00 0.00 176.35 177.61 3cey s MET 460 N 0.74 4.17 -0.10 1.70 -1.94 0.02 -1.34 119.30 122.53 3cey s MET 460 Ca -0.10 1.07 0.01 0.00 -1.71 0.00 0.00 55.69 54.96 3cey s MET 460 Cb -0.13 -3.67 -0.02 0.00 2.01 0.00 0.00 34.83 33.02 3cey s MET 460 CO 0.00 -0.64 -0.14 0.42 -0.01 0.00 0.00 175.02 174.66 3cey s ILE 461 N 3.11 3.02 -0.07 2.53 1.01 -0.11 0.13 121.20 130.82 3cey s ILE 461 Ca 0.40 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.38 3cey s ILE 461 Cb -0.15 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 3cey s ILE 461 CO 0.09 0.55 -0.14 0.00 0.00 0.00 0.00 174.94 175.43 3cey s VAL 463 N -0.45 4.03 -1.09 0.00 1.01 -1.26 -0.69 120.40 121.94 3cey s VAL 463 Ca 0.05 1.50 -0.11 0.00 0.00 0.00 0.00 61.98 63.42 3cey s VAL 463 Cb -0.12 -3.96 0.24 0.00 0.00 0.00 0.00 36.38 32.53 3cey s VAL 463 CO 0.02 0.14 1.16 1.51 0.00 0.00 0.00 175.10 177.93 3cey s ASP 464 N 0.87 7.15 -0.73 3.32 1.47 -0.99 -4.97 116.67 122.78 3cey s ASP 464 Ca 0.57 -3.25 -0.03 0.00 1.18 0.00 0.00 52.55 51.02 3cey s ASP 464 Cb -0.29 -2.27 0.00 0.00 -0.34 0.00 0.00 42.92 40.02 3cey s ASP 464 CO 0.30 -0.48 0.66 -0.90 0.68 0.00 0.00 175.17 175.42 3cey n ASP 473 N 3.84 -6.66 -4.76 2.11 5.68 -1.26 -4.28 116.55 111.22 3cey n ASP 473 Ca 0.26 -0.35 -0.36 0.00 -0.50 0.00 0.00 54.79 53.85 3cey n ASP 473 Cb 0.42 -3.86 0.02 0.00 -1.14 0.00 0.00 41.12 36.56 3cey n ASP 473 CO 0.00 0.00 0.00 0.26 -1.33 0.00 0.00 177.20 176.13 3cey s TRP 474 N -2.89 2.48 -0.01 2.11 0.51 -1.26 -4.86 118.94 115.01 3cey s TRP 474 Ca 0.04 1.53 0.07 0.00 -2.12 0.00 0.00 56.10 55.61 3cey s TRP 474 Cb -0.01 -3.41 -0.02 0.00 -0.81 0.00 0.00 33.47 29.22 3cey s TRP 474 CO 0.81 -2.01 -0.22 0.12 -0.51 0.00 0.00 176.95 175.15 3cey s PHE 475 N -1.67 1.93 -0.16 -1.98 5.36 -0.05 -3.28 117.98 118.12 3cey s PHE 475 Ca 0.76 -0.36 -0.23 0.00 -0.96 0.00 0.00 56.93 56.13 3cey s PHE 475 Cb -0.28 -1.24 -0.02 0.00 -0.34 0.00 0.00 43.02 41.14 3cey s PHE 475 CO 0.31 -0.03 0.74 0.00 -1.46 0.00 0.00 175.22 174.79 3cey s TYR 477 N 1.83 2.05 0.50 0.00 4.12 -0.45 -4.97 117.35 120.43 3cey s TYR 477 Ca 0.35 -0.63 -0.22 0.00 0.02 0.00 0.00 57.07 56.59 3cey s TYR 477 Cb -0.17 -1.37 -0.06 0.00 -1.52 0.00 0.00 41.96 38.85 3cey s TYR 477 CO 0.13 -0.21 1.25 -1.58 0.02 0.00 0.00 175.55 175.16 3cey s HIS 478 N 0.01 2.60 0.61 2.71 5.65 -1.26 -1.52 115.29 124.08 3cey s HIS 478 Ca -0.05 1.47 0.28 0.00 0.25 0.00 0.00 55.06 57.00 3cey s HIS 478 Cb -0.13 -3.56 1.42 0.00 -1.18 0.00 0.00 32.58 29.13 3cey s HIS 478 CO 0.03 -2.14 1.83 0.00 -0.65 0.00 0.00 174.74 173.81 3cey h ALA 479 N 1.72 2.00 -0.06 1.58 0.00 -0.91 0.05 119.26 123.63 3cey h ALA 479 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3cey h ALA 479 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3cey h ALA 479 CO 0.59 -0.70 0.00 -1.13 0.00 0.00 0.00 179.25 178.01 3cey n SER 480 N -3.41 1.38 -4.77 0.00 3.41 -1.26 -4.41 113.62 104.56 3cey n SER 480 Ca 0.06 -1.53 -0.39 0.00 -0.26 0.00 0.00 58.87 56.75 3cey n SER 480 Cb 0.66 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 3cey n SER 480 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3cey s SER 481 N -1.84 6.12 -0.00 4.04 0.15 0.00 -4.71 113.70 117.46 3cey s SER 481 Ca 0.36 2.74 0.15 0.00 0.70 0.00 0.00 55.95 59.90 3cey s SER 481 Cb 0.20 -2.64 0.43 0.00 -1.71 0.00 0.00 66.02 62.29 3cey s SER 481 CO 0.31 -0.99 1.36 1.41 1.20 0.00 0.00 173.24 176.52 3cey n HIS 482 N -0.05 0.66 -0.01 3.44 8.25 -1.26 -3.59 115.22 122.66 3cey n HIS 482 Ca 0.05 -0.33 0.09 0.00 -0.26 0.00 0.00 57.72 57.26 3cey n HIS 482 Cb 0.43 -0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.73 3cey n HIS 482 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cey n ALA 483 N 0.93 2.32 -2.36 -1.41 0.00 -1.26 -4.77 120.51 113.95 3cey n ALA 483 Ca 0.16 -1.06 -0.30 0.00 0.00 0.00 0.00 53.44 52.24 3cey n ALA 483 Cb 0.42 -0.64 -0.14 0.00 0.00 0.00 0.00 19.45 19.08 3cey n ALA 483 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3cey s ILE 484 N -1.11 2.13 0.03 0.00 -4.36 -1.24 -1.56 121.20 115.10 3cey s ILE 484 Ca 0.31 -1.45 -0.00 0.00 -0.26 0.00 0.00 60.65 59.25 3cey s ILE 484 Cb 0.17 -1.84 -0.03 0.00 1.25 0.00 0.00 42.46 42.02 3cey s ILE 484 CO 0.23 0.31 -0.03 -0.36 0.24 0.00 0.00 174.94 175.33 3cey s PHE 485 N -0.85 0.37 0.65 1.37 0.40 0.24 -4.90 117.98 115.26 3cey s PHE 485 Ca 0.12 -0.71 -0.16 0.00 -0.60 0.00 0.00 56.93 55.58 3cey s PHE 485 Cb -0.10 -0.27 -0.00 0.00 0.51 0.00 0.00 43.02 43.16 3cey s PHE 485 CO 0.03 -0.25 1.12 -2.14 0.70 0.00 0.00 175.22 174.68 3cey s PRO 486 N -2.32 2.81 0.28 0.24 0.02 -1.26 -0.89 135.00 133.89 3cey s PRO 486 Ca -0.08 1.46 -0.29 0.00 0.02 0.00 0.00 61.00 62.11 3cey s PRO 486 Cb -0.04 -1.95 -0.14 0.00 0.02 0.00 0.00 34.50 32.40 3cey s PRO 486 CO -0.04 -1.26 1.17 0.00 -0.33 0.00 0.00 177.00 176.55 3cey n ALA 487 N -2.30 0.35 -0.62 -1.55 0.00 -1.26 -1.69 120.51 113.45 3cey n ALA 487 Ca 0.11 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.94 3cey n ALA 487 Cb 0.52 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3cey n ALA 487 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3cey n THR 488 N 0.70 0.00 -0.15 0.00 -2.24 -1.26 -4.95 114.28 106.38 3cey n THR 488 Ca 0.09 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.84 3cey n THR 488 Cb 0.32 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.58 3cey n THR 488 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 3cey h PHE 489 N 0.00 -0.30 0.21 4.78 3.57 -1.68 -0.58 116.94 122.94 3cey h PHE 489 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3cey h PHE 489 Cb 0.00 0.21 0.00 0.00 2.79 0.00 0.00 35.95 38.95 3cey h PHE 489 CO 0.00 -0.22 -0.10 0.00 -2.23 0.00 0.00 178.31 175.76 3cey h GLN 491 N -0.31 1.00 -0.34 0.00 3.07 -1.73 0.47 115.11 117.27 3cey h GLN 491 Ca -0.03 -0.18 0.06 0.00 0.09 0.00 0.00 58.65 58.59 3cey h GLN 491 Cb 0.24 -0.16 -0.02 0.00 0.08 0.00 0.00 27.48 27.62 3cey h GLN 491 CO 0.05 0.84 0.23 0.87 0.09 0.00 0.00 178.83 180.91 3cey h LYS 492 N 0.94 0.18 -0.29 0.06 6.56 -1.01 -3.06 116.57 119.96 3cey h LYS 492 Ca 0.22 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.80 3cey h LYS 492 Cb 0.21 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.83 3cey h LYS 492 CO -0.02 0.12 0.00 0.09 -2.06 0.00 0.00 179.45 177.58 3cey n ASN 493 N -4.47 2.76 -2.96 0.86 3.02 -0.33 -4.99 115.26 109.14 3cey n ASN 493 Ca 0.04 -1.97 -0.17 0.00 -0.03 0.00 0.00 54.58 52.45 3cey n ASN 493 Cb 0.28 -0.19 0.07 0.00 -0.61 0.00 0.00 39.78 39.33 3cey n ASN 493 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3cey n ASP 494 N 0.39 -4.21 -4.56 6.41 8.00 0.15 -5.02 116.55 117.71 3cey n ASP 494 Ca 0.10 -0.45 -0.33 0.00 0.71 0.00 0.00 54.79 54.81 3cey n ASP 494 Cb 0.40 -4.14 -0.11 0.00 -0.02 0.00 0.00 41.12 37.24 3cey n ASP 494 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3cey s ILE 495 N -3.27 3.56 -0.08 0.53 1.01 -0.24 -5.04 121.20 117.67 3cey s ILE 495 Ca 0.29 -0.58 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 3cey s ILE 495 Cb -0.13 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3cey s ILE 495 CO 0.58 0.56 1.41 -1.83 0.00 0.00 0.00 174.94 175.66 3cey s GLU 496 N -0.89 4.24 -0.06 2.79 -1.05 -1.26 -4.34 118.70 118.13 3cey s GLU 496 Ca 0.13 1.89 -0.21 0.00 -0.15 0.00 0.00 54.97 56.64 3cey s GLU 496 Cb -0.11 -3.75 -0.04 0.00 -0.44 0.00 0.00 34.13 29.78 3cey s GLU 496 CO 0.02 -0.69 0.59 -1.17 0.95 0.00 0.00 175.26 174.96 3cey s LEU 497 N 3.23 4.34 -0.34 1.83 2.96 -1.26 -4.48 118.68 124.95 3cey s LEU 497 Ca 0.63 1.06 -0.26 0.00 -0.22 0.00 0.00 54.13 55.33 3cey s LEU 497 Cb -0.28 -2.90 0.01 0.00 0.50 0.00 0.00 46.19 43.52 3cey s LEU 497 CO 0.23 -0.00 0.92 -0.89 -1.32 0.00 0.00 176.35 175.28 3cey s THR 498 N 0.41 4.63 0.70 3.68 2.01 0.88 -5.01 115.64 122.93 3cey s THR 498 Ca 0.32 1.29 -0.07 0.00 0.31 0.00 0.00 61.69 63.54 3cey s THR 498 Cb -0.17 -4.30 0.06 0.00 0.01 0.00 0.00 72.50 68.10 3cey s THR 498 CO 0.15 -0.45 1.01 -2.16 -0.69 0.00 0.00 174.62 172.48 3cey s PRO 499 N 3.37 2.26 0.49 4.92 0.04 -1.26 -2.16 135.00 142.65 3cey s PRO 499 Ca 0.38 -0.22 -0.24 0.00 0.04 0.00 0.00 61.00 60.97 3cey s PRO 499 Cb -0.13 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 3cey s PRO 499 CO 0.16 -1.20 1.39 -2.14 0.04 0.00 0.00 177.00 175.25 3cey s PRO 500 N -5.24 3.47 0.28 0.56 0.02 -1.26 -4.84 135.00 127.98 3cey s PRO 500 Ca 0.60 2.32 -0.29 0.00 0.02 0.00 0.00 61.00 63.65 3cey s PRO 500 Cb -0.11 -2.49 -0.14 0.00 0.02 0.00 0.00 34.50 31.79 3cey s PRO 500 CO 0.45 -0.96 1.09 1.63 -0.33 0.00 0.00 177.00 178.88 3cey n LYS 501 N -0.54 1.48 -1.40 5.54 4.76 -1.26 -2.66 118.16 124.08 3cey n LYS 501 Ca 0.07 0.52 0.00 0.00 -2.87 0.00 0.00 58.31 56.03 3cey n LYS 501 Cb 0.43 -1.95 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 3cey n LYS 501 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cey n GLY 502 N 1.32 0.74 3.26 0.72 0.00 -1.26 -5.21 105.19 104.77 3cey n GLY 502 Ca 0.10 -0.69 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 3cey n GLY 502 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cey s TYR 503 N -2.00 1.42 0.49 1.61 2.02 -1.09 -5.17 117.35 114.63 3cey s TYR 503 Ca 0.00 -0.61 -0.21 0.00 -0.37 0.00 0.00 57.07 55.88 3cey s TYR 503 Cb 0.00 -0.72 -0.08 0.00 -0.40 0.00 0.00 41.96 40.77 3cey s TYR 503 CO 0.00 0.17 1.08 -0.08 -1.57 0.00 0.00 175.55 175.15 3cey s THR 507 N -2.61 3.50 0.11 -0.71 -1.32 -1.26 -4.86 115.64 108.50 3cey s THR 507 Ca 0.13 0.98 -0.25 0.00 -1.21 0.00 0.00 61.69 61.35 3cey s THR 507 Cb -0.02 -3.42 -0.07 0.00 -1.51 0.00 0.00 72.50 67.48 3cey s THR 507 CO 0.03 -0.16 0.76 0.12 -2.21 0.00 0.00 174.62 173.16 3cey s PHE 508 N -1.83 3.83 -0.05 9.09 5.36 -1.26 -5.07 117.98 128.06 3cey s PHE 508 Ca 0.68 1.54 -0.01 0.00 -0.96 0.00 0.00 56.93 58.18 3cey s PHE 508 Cb -0.21 -2.77 0.03 0.00 -0.34 0.00 0.00 43.02 39.73 3cey s PHE 508 CO 0.25 0.43 0.01 1.21 -1.46 0.00 0.00 175.22 175.66 3cey s ASN 509 N -0.72 1.13 0.08 6.13 3.84 -1.26 -5.07 114.94 119.07 3cey s ASN 509 Ca 0.36 -0.03 -0.21 0.00 0.21 0.00 0.00 52.86 53.19 3cey s ASN 509 Cb -0.22 -0.31 -0.11 0.00 -0.55 0.00 0.00 41.25 40.06 3cey s ASN 509 CO 0.24 -0.17 1.56 -0.50 -2.79 0.00 0.00 177.10 175.44 3cey h TRP 510 N 7.99 0.29 -0.72 0.43 4.06 -1.98 -1.92 115.95 124.10 3cey h TRP 510 Ca -0.25 -0.04 0.16 0.00 2.06 0.00 0.00 58.89 60.82 3cey h TRP 510 Cb 1.13 -0.08 -0.11 0.00 -1.00 0.00 0.00 29.16 29.09 3cey h TRP 510 CO 0.49 0.41 0.14 0.93 -3.56 0.00 0.00 178.44 176.85 3cey h GLU 511 N 0.09 0.22 -0.02 0.49 3.07 -1.99 0.63 114.58 117.08 3cey h GLU 511 Ca 0.05 -0.01 -0.17 0.00 -0.50 0.00 0.00 59.36 58.73 3cey h GLU 511 Cb 0.27 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 3cey h GLU 511 CO 0.00 0.15 -0.76 -0.91 -1.40 0.00 0.00 179.01 176.09 3cey h ASN 512 N 0.23 0.18 -0.16 1.42 2.35 -1.97 -2.12 115.58 115.51 3cey h ASN 512 Ca 0.41 -0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.89 3cey h ASN 512 Cb 0.70 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3cey h ASN 512 CO -0.53 0.87 -0.41 0.22 -1.65 0.00 0.00 177.43 175.93 3cey h TYR 513 N 0.09 0.73 -0.81 1.19 3.20 -0.82 0.37 116.97 120.92 3cey h TYR 513 Ca -0.02 -0.28 0.00 0.00 3.14 0.00 0.00 58.73 61.57 3cey h TYR 513 Cb 1.34 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.44 3cey h TYR 513 CO 0.02 1.04 0.52 -0.07 -1.64 0.00 0.00 178.16 178.03 3cey h LEU 514 N 0.22 0.94 0.24 2.82 3.38 -0.87 -0.06 115.31 121.96 3cey h LEU 514 Ca -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3cey h LEU 514 Cb 1.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3cey h LEU 514 CO 0.09 0.69 -0.11 -0.33 0.09 0.00 0.00 178.44 178.87 3cey h GLU 515 N 1.10 -0.31 -0.80 1.13 5.08 -1.26 -0.68 114.58 118.84 3cey h GLU 515 Ca 0.29 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.77 3cey h GLU 515 Cb -0.11 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.16 3cey h GLU 515 CO -0.06 -0.03 0.52 1.57 -1.00 0.00 0.00 179.01 180.02 3cey h LYS 516 N -0.57 0.71 -0.10 2.33 -0.00 0.12 -2.16 116.57 116.89 3cey h LYS 516 Ca -0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.58 3cey h LYS 516 Cb 0.42 -0.16 0.00 0.00 -0.00 0.00 0.00 32.23 32.49 3cey h LYS 516 CO 0.05 0.47 0.00 0.25 -0.00 0.00 0.00 179.45 180.22 3cey n THR 517 N -4.51 0.11 -4.16 0.07 -2.24 -0.07 -4.97 114.28 98.51 3cey n THR 517 Ca 0.14 -0.41 -0.32 0.00 -2.27 0.00 0.00 64.05 61.19 3cey n THR 517 Cb 0.34 0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 3cey n THR 517 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3cey n LYS 518 N 0.74 -1.49 -4.46 -0.78 4.76 -0.74 -4.98 118.16 111.21 3cey n LYS 518 Ca 0.17 0.19 -0.23 0.00 -2.87 0.00 0.00 58.31 55.57 3cey n LYS 518 Cb 0.46 -3.72 -0.10 0.00 -1.84 0.00 0.00 35.03 29.83 3cey n LYS 518 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3cey s SER 519 N -4.24 3.18 0.02 4.39 0.01 -0.34 -5.05 113.70 111.68 3cey s SER 519 Ca 0.08 -1.14 0.04 0.00 1.31 0.00 0.00 55.95 56.25 3cey s SER 519 Cb -0.04 -0.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.91 3cey s SER 519 CO 0.96 -0.21 -0.10 -1.59 0.41 0.00 0.00 173.24 172.72 3cey s LYS 520 N -3.64 2.41 0.30 12.44 0.00 -1.26 -4.66 119.74 125.33 3cey s LYS 520 Ca 0.30 -0.80 -0.28 0.00 0.00 0.00 0.00 55.97 55.19 3cey s LYS 520 Cb 0.01 -2.42 -0.09 0.00 0.00 0.00 0.00 37.83 35.33 3cey s LYS 520 CO 0.13 0.58 1.00 0.00 0.00 0.00 0.00 175.35 177.06 3cey s ALA 521 N -0.99 3.28 0.13 0.59 0.00 -1.26 -1.06 121.76 122.43 3cey s ALA 521 Ca 0.17 0.67 -0.31 0.00 0.00 0.00 0.00 51.96 52.49 3cey s ALA 521 Cb -0.11 -3.24 -0.09 0.00 0.00 0.00 0.00 23.12 19.68 3cey s ALA 521 CO 0.07 0.04 1.52 0.00 0.00 0.00 0.00 175.76 177.40 3cey s ALA 522 N -1.38 3.70 0.21 0.00 0.00 -0.27 -4.76 121.76 119.26 3cey s ALA 522 Ca 0.47 1.26 -0.32 0.00 0.00 0.00 0.00 51.96 53.37 3cey s ALA 522 Cb -0.25 -3.61 -0.14 0.00 0.00 0.00 0.00 23.12 19.13 3cey s ALA 522 CO 0.31 -0.78 1.39 -2.30 0.00 0.00 0.00 175.76 174.37 3cey n PRO 523 N 4.26 1.87 0.16 0.00 -0.02 -1.26 -4.69 135.00 135.31 3cey n PRO 523 Ca 0.13 0.67 0.18 0.00 -2.02 0.00 0.00 63.50 62.47 3cey n PRO 523 Cb 0.40 -2.31 0.80 0.00 -0.02 0.00 0.00 33.50 32.36 3cey n PRO 523 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3cey h SER 524 N 4.33 0.00 0.39 2.55 0.02 -1.98 -2.27 113.55 116.59 3cey h SER 524 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3cey h SER 524 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3cey h SER 524 CO 0.77 0.00 0.00 -2.11 -1.14 0.00 0.00 176.83 174.35 3cey n ARG 525 N -3.73 0.07 0.10 3.45 1.85 -1.26 -2.70 116.66 114.45 3cey n ARG 525 Ca 0.04 0.41 0.12 0.00 -1.00 0.00 0.00 57.85 57.41 3cey n ARG 525 Cb 0.45 -1.67 0.02 0.00 -1.05 0.00 0.00 32.46 30.21 3cey n ARG 525 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 3cey h LEU 526 N 0.00 0.00 -9.95 2.89 3.38 -1.78 -3.48 115.31 106.38 3cey h LEU 526 Ca 0.00 -0.03 -0.50 0.00 0.09 0.00 0.00 57.88 57.44 3cey h LEU 526 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3cey h LEU 526 CO 0.00 0.01 0.10 -0.36 0.09 0.00 0.00 178.44 178.29 3cey s PHE 527 N -3.34 3.48 -1.34 1.13 0.40 -1.10 -4.92 117.98 112.30 3cey s PHE 527 Ca 0.00 1.29 -0.07 0.00 -0.60 0.00 0.00 56.93 57.55 3cey s PHE 527 Cb 0.10 -2.57 0.11 0.00 0.51 0.00 0.00 43.02 41.17 3cey s PHE 527 CO 0.78 0.19 2.26 -1.71 0.70 0.00 0.00 175.22 177.44 3cey n ASN 528 N 0.07 6.96 -4.45 1.36 4.05 -1.26 -4.89 115.26 117.10 3cey n ASN 528 Ca 0.01 -3.07 -0.44 0.00 0.45 0.00 0.00 54.58 51.54 3cey n ASN 528 Cb 0.52 -1.43 0.00 0.00 1.23 0.00 0.00 39.78 40.10 3cey n ASN 528 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 177.26 174.44 3cey n MET 529 N 2.77 3.35 -3.00 1.20 2.81 -1.26 -4.85 117.12 118.14 3cey n MET 529 Ca 0.56 -3.74 -0.16 0.00 -1.81 0.00 0.00 57.70 52.54 3cey n MET 529 Cb 0.29 -3.11 -0.01 0.00 -0.71 0.00 0.00 33.22 29.69 3cey n MET 529 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3cey n ASP 530 N 5.97 2.18 -3.43 7.83 5.75 -1.26 -5.11 116.55 128.48 3cey n ASP 530 Ca 0.39 -2.14 -0.27 0.00 -0.01 0.00 0.00 54.79 52.75 3cey n ASP 530 Cb 0.43 0.02 -0.11 0.00 -1.03 0.00 0.00 41.12 40.43 3cey n ASP 530 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3cey s PRO 532 N 0.81 1.38 -1.20 0.00 0.04 -1.26 -4.93 135.00 129.84 3cey s PRO 532 Ca 0.22 0.97 -0.13 0.00 0.04 0.00 0.00 61.00 62.10 3cey s PRO 532 Cb -0.15 -1.81 0.18 0.00 0.04 0.00 0.00 34.50 32.76 3cey s PRO 532 CO -0.05 -2.20 1.41 1.21 0.04 0.00 0.00 177.00 177.41 3cey s ASN 533 N -3.31 7.09 0.22 6.66 2.47 -1.26 -4.80 114.94 122.01 3cey s ASN 533 Ca 0.63 -3.04 0.12 0.00 0.42 0.00 0.00 52.86 50.99 3cey s ASN 533 Cb -0.18 -2.39 0.02 0.00 -1.45 0.00 0.00 41.25 37.25 3cey s ASN 533 CO 0.57 -0.71 1.41 1.12 -3.72 0.00 0.00 177.10 175.77 3cey h HIS 534 N 7.12 0.00 -0.14 0.43 2.07 -1.95 -3.48 115.15 119.20 3cey h HIS 534 Ca 0.31 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.77 3cey h HIS 534 Cb 0.87 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.83 3cey h HIS 534 CO 1.08 0.69 -0.05 0.41 -3.07 0.00 0.00 177.93 176.99 3cey n GLY 535 N 1.14 0.61 3.76 6.13 0.00 -1.26 -4.47 105.19 111.10 3cey n GLY 535 Ca 0.01 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 3cey n GLY 535 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cey s PHE 536 N -2.03 3.91 0.09 1.61 0.08 -1.26 -4.91 117.98 115.48 3cey s PHE 536 Ca 0.00 1.84 0.04 0.00 0.12 0.00 0.00 56.93 58.93 3cey s PHE 536 Cb 0.00 -2.93 -0.03 0.00 -0.57 0.00 0.00 43.02 39.48 3cey s PHE 536 CO 0.00 0.41 -0.10 0.15 -0.10 0.00 0.00 175.22 175.58 3cey s LYS 537 N -1.38 0.83 0.27 0.44 3.01 -1.26 -4.99 119.74 116.66 3cey s LYS 537 Ca 0.42 -1.12 -0.30 0.00 -1.01 0.00 0.00 55.97 53.96 3cey s LYS 537 Cb -0.24 -0.55 -0.12 0.00 -1.01 0.00 0.00 37.83 35.91 3cey s LYS 537 CO 0.29 0.09 1.53 0.28 0.51 0.00 0.00 175.35 178.06 3cey n VAL 538 N 0.67 0.98 0.00 3.17 0.31 -1.26 -2.58 118.33 119.62 3cey n VAL 538 Ca -0.17 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 3cey n VAL 538 Cb 0.57 -1.79 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 3cey n VAL 538 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cey n GLY 539 N 2.20 2.46 3.77 2.92 0.00 0.14 -5.01 105.19 111.66 3cey n GLY 539 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3cey n GLY 539 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3cey s MET 540 N -0.76 4.34 0.13 1.61 1.00 -1.06 -4.61 119.30 119.95 3cey s MET 540 Ca 0.00 2.00 -0.07 0.00 0.00 0.00 0.00 55.69 57.63 3cey s MET 540 Cb 0.00 -2.99 -0.06 0.00 0.00 0.00 0.00 34.83 31.78 3cey s MET 540 CO 0.00 -0.12 0.40 0.15 0.00 0.00 0.00 175.02 175.45 3cey s LYS 541 N -1.84 3.67 0.38 2.03 -0.14 0.24 -0.32 119.74 123.76 3cey s LYS 541 Ca 0.50 0.02 -0.16 0.00 -1.36 0.00 0.00 55.97 54.97 3cey s LYS 541 Cb -0.35 -2.87 0.06 0.00 -1.68 0.00 0.00 37.83 32.99 3cey s LYS 541 CO 0.46 0.48 0.82 -0.48 -0.76 0.00 0.00 175.35 175.87 3cey s LEU 542 N -2.45 0.03 -0.22 3.17 0.05 -0.75 -1.38 118.68 117.11 3cey s LEU 542 Ca 0.39 -1.15 -0.06 0.00 0.05 0.00 0.00 54.13 53.36 3cey s LEU 542 Cb -0.12 2.80 -0.02 0.00 -2.05 0.00 0.00 46.19 46.79 3cey s LEU 542 CO 0.22 -1.66 0.03 -1.61 -0.55 0.00 0.00 176.35 172.78 3cey s GLU 543 N -2.16 3.61 -0.06 1.48 2.02 0.55 -1.17 118.70 122.97 3cey s GLU 543 Ca 0.16 -0.51 0.06 0.00 0.02 0.00 0.00 54.97 54.70 3cey s GLU 543 Cb -0.05 -3.18 -0.01 0.00 0.10 0.00 0.00 34.13 30.99 3cey s GLU 543 CO 0.11 -0.10 -0.24 0.00 0.02 0.00 0.00 175.26 175.05 3cey s ALA 544 N 1.32 2.11 0.16 5.21 0.00 -0.12 0.08 121.76 130.52 3cey s ALA 544 Ca 0.04 -1.01 -0.32 0.00 0.00 0.00 0.00 51.96 50.67 3cey s ALA 544 Cb -0.15 -0.67 -0.12 0.00 0.00 0.00 0.00 23.12 22.18 3cey s ALA 544 CO 0.02 0.39 1.73 0.28 0.00 0.00 0.00 175.76 178.18 3cey n VAL 545 N 3.04 0.12 -2.40 0.00 0.31 -0.77 -0.56 118.33 118.07 3cey n VAL 545 Ca -0.18 -0.02 -0.41 0.00 -0.01 0.00 0.00 64.34 63.72 3cey n VAL 545 Cb 0.52 -1.92 -0.03 0.00 -0.91 0.00 0.00 33.84 31.51 3cey n VAL 545 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3cey s ASP 546 N 1.66 5.99 0.44 4.52 2.15 -0.42 -4.92 116.67 126.08 3cey s ASP 546 Ca 0.79 -0.04 0.30 0.00 0.43 0.00 0.00 52.55 54.03 3cey s ASP 546 Cb -0.55 -2.55 1.37 0.00 -0.30 0.00 0.00 42.92 40.89 3cey s ASP 546 CO 0.36 -1.89 1.91 -0.07 -0.17 0.00 0.00 175.17 175.31 3cey h LEU 547 N 13.65 0.00 -0.58 -1.34 3.38 -1.94 0.40 115.31 128.88 3cey h LEU 547 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3cey h LEU 547 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3cey h LEU 547 CO 1.23 0.00 0.00 0.24 0.09 0.00 0.00 178.44 180.00 3cey h MET 548 N 0.00 0.00 -0.87 1.13 2.07 -1.97 -3.37 114.93 111.92 3cey h MET 548 Ca 0.00 0.00 -0.34 0.00 -2.07 0.00 0.00 59.70 57.29 3cey h MET 548 Cb 0.33 0.00 -0.24 0.00 -1.87 0.00 0.00 31.60 29.82 3cey h MET 548 CO 0.00 0.00 -0.72 -1.91 1.07 0.00 0.00 176.91 175.35 3cey n GLU 549 N -2.58 0.70 0.00 1.72 2.13 0.00 -5.05 120.64 117.56 3cey n GLU 549 Ca 0.03 -2.32 0.04 0.00 0.66 0.00 0.00 57.16 55.57 3cey n GLU 549 Cb 0.35 -1.40 0.22 0.00 0.27 0.00 0.00 31.44 30.89 3cey n GLU 549 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 3cey n PRO 550 N 1.76 0.14 0.28 5.31 -0.04 -0.45 -0.52 135.00 141.48 3cey n PRO 550 Ca 0.15 0.19 0.16 0.00 -0.04 0.00 0.00 63.50 63.96 3cey n PRO 550 Cb 0.58 -1.50 0.76 0.00 -0.04 0.00 0.00 33.50 33.31 3cey n PRO 550 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 3cey h ARG 551 N 0.00 0.00 -5.61 0.54 0.11 -1.86 -3.44 114.38 104.13 3cey h ARG 551 Ca 0.00 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.49 3cey h ARG 551 Cb 0.08 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.06 3cey h ARG 551 CO 0.00 0.06 -0.09 -0.51 0.10 0.00 0.00 179.97 179.53 3cey s LEU 552 N -6.49 4.20 -0.15 0.08 1.43 0.32 -5.02 118.68 113.05 3cey s LEU 552 Ca -0.01 0.72 0.01 0.00 -1.03 0.00 0.00 54.13 53.82 3cey s LEU 552 Cb 0.11 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.64 3cey s LEU 552 CO 0.54 -0.10 -0.17 -0.63 0.23 0.00 0.00 176.35 176.22 3cey s ILE 553 N 1.21 2.52 0.12 -0.59 1.01 -1.26 -1.30 121.20 122.91 3cey s ILE 553 Ca 0.24 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 60.14 3cey s ILE 553 Cb -0.15 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 3cey s ILE 553 CO 0.10 0.52 -0.16 0.00 0.00 0.00 0.00 174.94 175.40 3cey s VAL 555 N -1.94 2.77 0.25 0.00 1.01 -1.07 -0.94 120.40 120.48 3cey s VAL 555 Ca 0.09 0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 3cey s VAL 555 Cb -0.06 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3cey s VAL 555 CO 0.04 0.01 0.26 0.00 0.00 0.00 0.00 175.10 175.41 3cey s ALA 556 N 2.08 0.99 -0.00 5.51 0.00 -0.32 -2.85 121.76 127.18 3cey s ALA 556 Ca 0.74 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3cey s ALA 556 Cb -0.42 1.32 -0.00 0.00 0.00 0.00 0.00 23.12 24.02 3cey s ALA 556 CO 0.32 -0.67 -0.02 0.99 0.00 0.00 0.00 175.76 176.38 3cey s THR 557 N -3.88 0.13 -0.29 0.00 2.01 0.60 -1.81 115.64 112.40 3cey s THR 557 Ca 0.35 -0.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.00 3cey s THR 557 Cb 0.04 -0.12 -0.02 0.00 0.01 0.00 0.00 72.50 72.41 3cey s THR 557 CO 0.15 0.04 1.62 -0.69 -0.69 0.00 0.00 174.62 175.05 3cey s VAL 558 N -0.01 3.69 -0.17 3.82 1.01 0.57 -1.14 120.40 128.17 3cey s VAL 558 Ca 0.00 0.74 0.06 0.00 0.00 0.00 0.00 61.98 62.79 3cey s VAL 558 Cb -0.01 -3.80 -0.22 0.00 0.00 0.00 0.00 36.38 32.35 3cey s VAL 558 CO -0.00 -0.42 0.16 1.17 0.00 0.00 0.00 175.10 176.01 3cey n LYS 559 N 7.95 0.68 -3.99 2.72 4.81 0.14 -0.68 118.16 129.79 3cey n LYS 559 Ca 0.19 0.16 -0.12 0.00 -0.87 0.00 0.00 58.31 57.67 3cey n LYS 559 Cb 0.46 -1.62 -0.13 0.00 0.02 0.00 0.00 35.03 33.76 3cey n LYS 559 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3cey s ARG 560 N -2.54 0.23 -0.10 1.64 1.81 -1.16 -4.84 118.95 113.99 3cey s ARG 560 Ca -0.19 -0.27 0.03 0.00 -1.72 0.00 0.00 55.73 53.58 3cey s ARG 560 Cb 0.07 -0.11 0.01 0.00 -0.45 0.00 0.00 34.95 34.47 3cey s ARG 560 CO 0.75 0.02 -0.20 0.08 -0.68 0.00 0.00 175.30 175.27 3cey s VAL 561 N -0.51 1.79 -0.44 3.52 1.01 -1.26 -1.54 120.40 122.98 3cey s VAL 561 Ca -0.04 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.11 3cey s VAL 561 Cb -0.04 -1.58 0.15 0.00 0.00 0.00 0.00 36.38 34.91 3cey s VAL 561 CO -0.00 0.50 0.28 -0.69 0.00 0.00 0.00 175.10 175.19 3cey s VAL 562 N 0.59 0.95 0.00 2.92 1.01 -0.28 -4.99 120.40 120.60 3cey s VAL 562 Ca -0.14 -2.52 0.00 0.00 0.00 0.00 0.00 61.98 59.32 3cey s VAL 562 Cb -0.17 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.55 3cey s VAL 562 CO 0.04 -1.01 0.00 1.41 0.00 0.00 0.00 175.10 175.54 3cey n HIS 563 N 3.36 0.00 0.19 5.22 8.25 -1.26 -0.74 115.22 130.24 3cey n HIS 563 Ca 0.16 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.71 3cey n HIS 563 Cb 0.38 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.61 3cey n HIS 563 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3cey h ARG 564 N 0.00 0.00 -5.98 -0.41 3.08 -1.93 -3.47 114.38 105.68 3cey h ARG 564 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 3cey h ARG 564 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 3cey h ARG 564 CO 0.00 0.12 0.17 -1.17 -1.07 0.00 0.00 179.97 178.01 3cey s LEU 565 N -6.20 4.26 -0.05 3.04 2.96 0.08 -0.68 118.68 122.09 3cey s LEU 565 Ca 0.06 1.15 0.00 0.00 -0.22 0.00 0.00 54.13 55.12 3cey s LEU 565 Cb 0.06 -3.11 -0.03 0.00 0.50 0.00 0.00 46.19 43.61 3cey s LEU 565 CO 0.70 -0.20 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.73 3cey s LEU 566 N 1.25 3.37 -0.30 -0.68 1.43 0.57 -1.13 118.68 123.19 3cey s LEU 566 Ca 0.37 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 3cey s LEU 566 Cb -0.17 -1.81 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 3cey s LEU 566 CO 0.16 0.35 0.19 -0.55 0.23 0.00 0.00 176.35 176.72 3cey s SER 567 N -1.04 5.86 -0.23 2.29 0.15 -0.59 -0.58 113.70 119.57 3cey s SER 567 Ca 0.14 -0.24 -0.14 0.00 0.70 0.00 0.00 55.95 56.41 3cey s SER 567 Cb -0.11 -2.09 -0.04 0.00 -1.71 0.00 0.00 66.02 62.07 3cey s SER 567 CO 0.04 -0.13 0.34 -0.63 1.20 0.00 0.00 173.24 174.06 3cey s ILE 568 N 1.71 5.23 -0.17 6.45 -1.09 0.10 0.24 121.20 133.67 3cey s ILE 568 Ca 0.06 0.54 -0.08 0.00 -2.23 0.00 0.00 60.65 58.94 3cey s ILE 568 Cb -0.16 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.00 3cey s ILE 568 CO 0.09 0.24 0.11 -2.28 -1.23 0.00 0.00 174.94 171.88 3cey s HIS 569 N 1.52 3.42 -0.42 3.97 5.65 -0.29 -0.87 115.29 128.26 3cey s HIS 569 Ca 0.15 0.33 -0.23 0.00 0.25 0.00 0.00 55.06 55.56 3cey s HIS 569 Cb -0.15 -2.07 0.02 0.00 -1.18 0.00 0.00 32.58 29.20 3cey s HIS 569 CO 0.08 0.39 0.75 -0.06 -0.65 0.00 0.00 174.74 175.25 3cey s PHE 570 N -0.04 3.04 0.03 3.88 0.08 -1.26 -0.29 117.98 123.41 3cey s PHE 570 Ca 0.09 0.22 -0.35 0.00 0.12 0.00 0.00 56.93 57.01 3cey s PHE 570 Cb -0.12 -3.53 -0.14 0.00 -0.57 0.00 0.00 43.02 38.66 3cey s PHE 570 CO 0.00 -0.89 1.62 -0.25 -0.10 0.00 0.00 175.22 175.59 3cey n ASP 571 N 6.55 2.76 0.00 1.36 9.92 -1.13 -1.06 116.55 134.95 3cey n ASP 571 Ca 0.02 1.06 0.00 0.00 -0.53 0.00 0.00 54.79 55.34 3cey n ASP 571 Cb 0.48 -1.32 0.00 0.00 -0.64 0.00 0.00 41.12 39.64 3cey n ASP 571 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3cey n GLY 572 N 3.55 1.53 3.86 0.44 0.00 -1.26 -3.89 105.19 109.42 3cey n GLY 572 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3cey n GLY 572 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3cey s TRP 573 N -2.64 3.24 0.63 1.61 0.52 -0.22 -4.85 118.94 117.23 3cey s TRP 573 Ca 0.00 -0.03 -0.17 0.00 0.02 0.00 0.00 56.10 55.92 3cey s TRP 573 Cb 0.00 -1.51 -0.02 0.00 -1.15 0.00 0.00 33.47 30.80 3cey s TRP 573 CO 0.00 0.51 1.17 0.16 0.02 0.00 0.00 176.95 178.81 3cey s ASP 574 N -3.54 5.07 0.22 2.95 1.47 -1.26 -4.84 116.67 116.74 3cey s ASP 574 Ca 0.33 2.25 0.18 0.00 1.18 0.00 0.00 52.55 56.49 3cey s ASP 574 Cb -0.09 -2.58 0.88 0.00 -0.34 0.00 0.00 42.92 40.78 3cey s ASP 574 CO 0.26 -1.66 1.55 -1.20 0.68 0.00 0.00 175.17 174.79 3cey n SER 575 N -1.95 0.45 0.23 2.11 7.64 -1.26 -1.59 113.62 119.26 3cey n SER 575 Ca 0.12 0.67 0.16 0.00 1.01 0.00 0.00 58.87 60.83 3cey n SER 575 Cb 0.51 -0.74 0.82 0.00 -1.01 0.00 0.00 64.21 63.78 3cey n SER 575 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 3cey h GLU 576 N 0.00 0.00 -0.00 1.43 -0.00 -2.02 -2.01 114.58 111.99 3cey h GLU 576 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 3cey h GLU 576 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.88 3cey h GLU 576 CO 0.00 0.00 -0.57 0.66 -0.00 0.00 0.00 179.01 179.10 3cey n TYR 577 N -2.59 0.00 -1.62 2.06 4.01 -0.62 -4.84 117.16 113.55 3cey n TYR 577 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.31 3cey n TYR 577 Cb 0.07 -0.17 0.01 0.00 -0.31 0.00 0.00 39.34 38.94 3cey n TYR 577 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3cey n ASP 578 N -1.33 1.49 -4.16 7.72 9.92 -0.76 -4.86 116.55 124.58 3cey n ASP 578 Ca 0.06 1.06 -0.28 0.00 -0.53 0.00 0.00 54.79 55.10 3cey n ASP 578 Cb 0.34 -1.37 -0.16 0.00 -0.64 0.00 0.00 41.12 39.28 3cey n ASP 578 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 3cey s GLN 579 N -2.01 2.26 -0.22 -1.24 -0.21 -0.05 -3.08 119.66 115.11 3cey s GLN 579 Ca 0.62 -0.69 -0.21 0.00 0.02 0.00 0.00 55.36 55.10 3cey s GLN 579 Cb -0.56 -1.84 -0.02 0.00 1.00 0.00 0.00 33.01 31.59 3cey s GLN 579 CO 0.57 0.20 0.67 -1.58 -2.12 0.00 0.00 175.29 173.04 3cey s TRP 580 N 0.23 3.34 0.03 0.91 0.52 0.11 0.03 118.94 124.10 3cey s TRP 580 Ca -0.10 0.94 0.01 0.00 0.02 0.00 0.00 56.10 56.97 3cey s TRP 580 Cb -0.15 -2.86 -0.02 0.00 -1.15 0.00 0.00 33.47 29.29 3cey s TRP 580 CO 0.05 -0.26 -0.04 0.14 0.02 0.00 0.00 176.95 176.85 3cey s VAL 581 N 2.26 0.24 0.70 4.03 -7.23 0.26 -4.92 120.40 115.73 3cey s VAL 581 Ca 0.29 -0.98 -0.15 0.00 -1.81 0.00 0.00 61.98 59.33 3cey s VAL 581 Cb -0.16 -0.39 0.02 0.00 0.56 0.00 0.00 36.38 36.41 3cey s VAL 581 CO 0.09 -0.48 1.14 -0.62 -0.31 0.00 0.00 175.10 174.93 3cey s ASP 582 N -1.53 4.69 0.45 4.85 2.15 -1.26 -0.32 116.67 125.70 3cey s ASP 582 Ca -0.14 2.13 0.19 0.00 0.43 0.00 0.00 52.55 55.16 3cey s ASP 582 Cb -0.10 -2.56 1.08 0.00 -0.30 0.00 0.00 42.92 41.04 3cey s ASP 582 CO -0.01 -1.92 1.97 0.00 -0.17 0.00 0.00 175.17 175.05 3cey n GLU 584 N -3.99 2.87 -1.64 0.00 1.02 -1.26 -4.94 120.64 112.70 3cey n GLU 584 Ca -0.02 -1.96 -0.46 0.00 -0.02 0.00 0.00 57.16 54.71 3cey n GLU 584 Cb 0.29 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 3cey n GLU 584 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3cey n SER 585 N 0.70 2.31 -0.37 1.62 2.88 -0.33 -4.86 113.62 115.57 3cey n SER 585 Ca 0.18 1.14 0.01 0.00 -1.33 0.00 0.00 58.87 58.87 3cey n SER 585 Cb 0.65 -1.36 0.03 0.00 -0.75 0.00 0.00 64.21 62.78 3cey n SER 585 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3cey n PRO 586 N 1.91 1.24 -0.30 -1.46 -0.04 -1.26 -3.69 135.00 131.40 3cey n PRO 586 Ca 0.12 -0.24 0.07 0.00 -0.04 0.00 0.00 63.50 63.41 3cey n PRO 586 Cb 0.30 -1.31 0.20 0.00 -0.04 0.00 0.00 33.50 32.64 3cey n PRO 586 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3cey n ASP 587 N -0.13 3.35 -4.21 3.54 8.00 -1.26 -4.76 116.55 121.09 3cey n ASP 587 Ca 0.02 -2.51 -0.18 0.00 0.71 0.00 0.00 54.79 52.83 3cey n ASP 587 Cb 0.19 -0.38 -0.11 0.00 -0.02 0.00 0.00 41.12 40.80 3cey n ASP 587 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3cey s ILE 588 N -1.92 1.20 0.04 0.53 -4.36 -1.24 -1.85 121.20 113.60 3cey s ILE 588 Ca 0.32 -1.55 -0.07 0.00 -0.26 0.00 0.00 60.65 59.08 3cey s ILE 588 Cb 0.23 -1.34 -0.01 0.00 1.25 0.00 0.00 42.46 42.59 3cey s ILE 588 CO 0.12 -0.36 0.13 -0.31 0.24 0.00 0.00 174.94 174.75 3cey s TYR 589 N -1.86 0.16 0.61 1.37 2.02 0.11 -5.00 117.35 114.77 3cey s TYR 589 Ca 0.04 -0.47 -0.17 0.00 -0.37 0.00 0.00 57.07 56.10 3cey s TYR 589 Cb -0.06 -0.11 -0.02 0.00 -0.40 0.00 0.00 41.96 41.36 3cey s TYR 589 CO 0.02 -0.41 1.16 -1.25 -1.57 0.00 0.00 175.55 173.51 3cey s PRO 590 N -2.79 2.93 0.12 -1.71 0.04 -1.26 -0.33 135.00 131.99 3cey s PRO 590 Ca -0.03 1.64 -0.34 0.00 0.04 0.00 0.00 61.00 62.30 3cey s PRO 590 Cb -0.00 -1.94 -0.17 0.00 0.04 0.00 0.00 34.50 32.42 3cey s PRO 590 CO -0.05 -1.20 1.03 0.28 0.04 0.00 0.00 177.00 177.10 3cey n VAL 591 N -1.88 0.77 -0.04 -0.36 0.31 -1.26 -1.80 118.33 114.08 3cey n VAL 591 Ca 0.12 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 3cey n VAL 591 Cb 0.51 -0.44 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 3cey n VAL 591 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cey n GLY 592 N 1.90 1.54 0.15 2.92 0.00 -1.26 -1.43 105.19 109.00 3cey n GLY 592 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 3cey n GLY 592 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3cey h TRP 593 N 0.00 0.42 -0.83 1.61 7.01 -1.72 0.12 115.95 122.56 3cey h TRP 593 Ca 0.00 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 3cey h TRP 593 Cb 0.00 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 26.89 3cey h TRP 593 CO 0.00 0.34 0.48 0.00 -2.79 0.00 0.00 178.44 176.48 3cey h GLU 595 N 1.15 0.79 -0.40 0.00 4.81 -1.70 0.64 114.58 119.87 3cey h GLU 595 Ca 0.30 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3cey h GLU 595 Cb -0.01 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 3cey h GLU 595 CO -0.05 0.99 0.20 1.25 -0.73 0.00 0.00 179.01 180.67 3cey h LEU 596 N 0.66 0.52 0.00 1.64 6.46 -0.38 -3.30 115.31 120.91 3cey h LEU 596 Ca 0.07 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.71 3cey h LEU 596 Cb 0.86 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.65 3cey h LEU 596 CO 0.07 0.49 -0.73 0.35 -0.62 0.00 0.00 178.44 178.00 3cey n THR 597 N -4.70 0.30 -0.50 1.05 -2.24 -0.51 -4.97 114.28 102.71 3cey n THR 597 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3cey n THR 597 Cb 0.10 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 3cey n THR 597 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cey n GLY 598 N 1.35 0.75 3.81 3.38 0.00 0.11 -4.79 105.19 109.81 3cey n GLY 598 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3cey n GLY 598 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3cey s TYR 599 N -2.09 3.15 -0.02 1.61 5.04 -0.58 -5.00 117.35 119.46 3cey s TYR 599 Ca 0.00 1.54 -0.19 0.00 -2.44 0.00 0.00 57.07 55.98 3cey s TYR 599 Cb 0.00 -2.95 -0.05 0.00 0.35 0.00 0.00 41.96 39.31 3cey s TYR 599 CO 0.00 -0.70 0.54 -0.65 -1.34 0.00 0.00 175.55 173.40 3cey s GLN 600 N -3.67 4.25 -0.17 4.97 -0.21 -1.26 -4.39 119.66 119.19 3cey s GLN 600 Ca 0.63 0.63 -0.11 0.00 0.02 0.00 0.00 55.36 56.53 3cey s GLN 600 Cb -0.14 -3.33 -0.05 0.00 1.00 0.00 0.00 33.01 30.49 3cey s GLN 600 CO 0.27 0.40 0.20 -1.17 -2.12 0.00 0.00 175.29 172.86 3cey s LEU 601 N -0.23 4.26 -0.10 2.90 2.96 -1.26 -4.42 118.68 122.79 3cey s LEU 601 Ca 0.29 0.39 -0.29 0.00 -0.22 0.00 0.00 54.13 54.29 3cey s LEU 601 Cb -0.17 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 3cey s LEU 601 CO 0.15 0.20 1.00 -1.10 -1.32 0.00 0.00 176.35 175.28 3cey s GLN 602 N 0.10 4.43 0.85 1.98 -1.52 0.22 -4.91 119.66 120.81 3cey s GLN 602 Ca 0.13 1.38 -0.11 0.00 -1.95 0.00 0.00 55.36 54.81 3cey s GLN 602 Cb -0.12 -3.53 0.10 0.00 -0.22 0.00 0.00 33.01 29.23 3cey s GLN 602 CO 0.02 -0.29 1.09 -1.25 -0.25 0.00 0.00 175.29 174.61 3cey s PRO 603 N 1.91 1.66 -1.26 2.91 0.04 -1.26 -2.59 135.00 136.41 3cey s PRO 603 Ca 0.48 0.97 -0.09 0.00 0.04 0.00 0.00 61.00 62.40 3cey s PRO 603 Cb -0.18 -1.84 0.18 0.00 0.04 0.00 0.00 34.50 32.69 3cey s PRO 603 CO 0.19 -2.01 1.81 -0.35 0.04 0.00 0.00 177.00 176.68 3cey n PRO 604 N -3.74 3.66 0.00 0.56 -0.05 -1.26 -4.76 135.00 129.41 3cey n PRO 604 Ca 0.08 -3.63 0.00 0.00 -0.05 0.00 0.00 63.50 59.90 3cey n PRO 604 Cb 0.54 -2.91 0.00 0.00 -0.05 0.00 0.00 33.50 31.09 3cey n PRO 604 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 175.50 175.73