#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oz3 s SER 207 N 0.00 0.24 0.08 5.87 1.04 -1.26 -5.07 113.70 114.61 1oz3 s SER 207 Ca 0.00 -0.54 -0.23 0.00 0.48 0.00 0.00 55.95 55.65 1oz3 s SER 207 Cb 0.00 0.14 -0.15 0.00 0.10 0.00 0.00 66.02 66.11 1oz3 s SER 207 CO 0.00 -0.38 1.68 -0.50 0.98 0.00 0.00 173.24 175.02 1oz3 h TRP 208 N 4.26 0.01 -0.38 5.02 4.06 -2.03 -2.60 115.95 124.30 1oz3 h TRP 208 Ca -0.32 -0.00 0.08 0.00 2.06 0.00 0.00 58.89 60.71 1oz3 h TRP 208 Cb 1.19 -0.00 -0.09 0.00 -1.00 0.00 0.00 29.16 29.26 1oz3 h TRP 208 CO 0.62 0.07 -0.24 1.05 -3.56 0.00 0.00 178.44 176.38 1oz3 h GLU 209 N -0.05 -0.17 -0.53 0.49 4.11 -1.98 0.05 114.58 116.50 1oz3 h GLU 209 Ca 0.00 0.01 -0.04 0.00 0.07 0.00 0.00 59.36 59.40 1oz3 h GLU 209 Cb 0.06 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1oz3 h GLU 209 CO -0.00 -0.11 0.17 0.77 0.07 0.00 0.00 179.01 179.90 1oz3 h SER 210 N -0.18 0.73 -0.18 3.06 0.02 -1.99 -2.75 113.55 112.27 1oz3 h SER 210 Ca 0.18 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 1oz3 h SER 210 Cb 0.46 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1oz3 h SER 210 CO -0.48 0.69 -0.06 0.22 -1.14 0.00 0.00 176.83 176.06 1oz3 h TYR 211 N 0.77 0.40 0.00 3.45 3.20 -1.00 -2.44 116.97 121.35 1oz3 h TYR 211 Ca 0.18 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.96 1oz3 h TYR 211 Cb 0.23 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1oz3 h TYR 211 CO 0.01 0.64 0.00 1.28 -1.64 0.00 0.00 178.16 178.45 1oz3 n LEU 212 N -4.63 0.00 -0.13 2.82 4.77 -0.05 -1.16 117.00 118.61 1oz3 n LEU 212 Ca -0.05 0.35 -0.28 0.00 -0.03 0.00 0.00 56.01 56.01 1oz3 n LEU 212 Cb 0.29 -0.35 -0.10 0.00 -2.33 0.00 0.00 43.42 40.92 1oz3 n LEU 212 CO 0.38 -0.35 -1.27 -0.62 -1.33 0.00 0.00 177.39 174.19 1oz3 n GLU 213 N -1.35 0.58 0.07 3.23 -0.58 -0.96 -1.91 120.64 119.71 1oz3 n GLU 213 Ca 0.00 0.31 0.11 0.00 -0.42 0.00 0.00 57.16 57.16 1oz3 n GLU 213 Cb 0.00 -1.53 0.45 0.00 -0.57 0.00 0.00 31.44 29.79 1oz3 n GLU 213 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1oz3 n GLU 214 N -4.29 0.12 -0.00 3.49 0.28 -0.99 -2.67 120.64 116.58 1oz3 n GLU 214 Ca -0.49 0.25 0.08 0.00 -0.16 0.00 0.00 57.16 56.84 1oz3 n GLU 214 Cb 0.84 -1.69 -0.10 0.00 1.43 0.00 0.00 31.44 31.92 1oz3 n GLU 214 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1oz3 n GLN 215 N -1.91 1.46 -3.88 3.44 1.13 -0.31 -4.98 117.38 112.33 1oz3 n GLN 215 Ca 0.04 -0.04 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 1oz3 n GLN 215 Cb 0.28 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.35 1oz3 n GLN 215 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1oz3 n LYS 216 N -1.55 -2.18 -4.58 -1.09 5.02 -1.06 -4.96 118.16 107.75 1oz3 n LYS 216 Ca 0.01 0.38 -0.28 0.00 -2.02 0.00 0.00 58.31 56.41 1oz3 n LYS 216 Cb 0.29 -4.15 -0.08 0.00 -0.02 0.00 0.00 35.03 31.07 1oz3 n LYS 216 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1oz3 s ALA 217 N -3.75 3.25 0.02 7.82 0.00 -0.80 -5.02 121.76 123.27 1oz3 s ALA 217 Ca 0.22 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1oz3 s ALA 217 Cb -0.09 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.54 1oz3 s ALA 217 CO 0.89 -0.24 -0.04 0.42 0.00 0.00 0.00 175.76 176.79 1oz3 s ILE 218 N -3.11 0.18 0.05 0.00 -1.09 -1.26 -4.75 121.20 111.21 1oz3 s ILE 218 Ca 0.19 -0.96 -0.11 0.00 -2.23 0.00 0.00 60.65 57.54 1oz3 s ILE 218 Cb 0.03 -0.34 -0.06 0.00 -1.58 0.00 0.00 42.46 40.51 1oz3 s ILE 218 CO 0.11 -0.49 0.39 0.42 -1.23 0.00 0.00 174.94 174.14 1oz3 s THR 219 N -1.51 5.09 -0.21 2.92 -4.23 -1.26 -0.65 115.64 115.79 1oz3 s THR 219 Ca -0.15 0.56 -0.38 0.00 -1.18 0.00 0.00 61.69 60.55 1oz3 s THR 219 Cb -0.10 -3.66 -0.14 0.00 1.34 0.00 0.00 72.50 69.94 1oz3 s THR 219 CO -0.01 0.39 1.78 0.00 -0.54 0.00 0.00 174.62 176.24 1oz3 n ALA 220 N 1.22 0.15 -1.69 3.99 0.00 -0.25 -4.69 120.51 119.22 1oz3 n ALA 220 Ca -0.10 0.36 -0.40 0.00 0.00 0.00 0.00 53.44 53.30 1oz3 n ALA 220 Cb 0.52 -2.31 0.03 0.00 0.00 0.00 0.00 19.45 17.69 1oz3 n ALA 220 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1oz3 n PRO 221 N 5.72 1.69 -0.33 0.00 -0.04 -1.26 -4.64 135.00 136.15 1oz3 n PRO 221 Ca 0.25 0.61 0.14 0.00 -0.04 0.00 0.00 63.50 64.46 1oz3 n PRO 221 Cb 0.18 -2.38 0.36 0.00 -0.04 0.00 0.00 33.50 31.63 1oz3 n PRO 221 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 1oz3 h VAL 222 N 1.67 0.72 0.00 0.52 -1.51 -1.97 -1.07 116.25 114.61 1oz3 h VAL 222 Ca -0.48 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 1oz3 h VAL 222 Cb 1.31 -0.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 1oz3 h VAL 222 CO 0.58 0.13 0.01 0.77 -1.23 0.00 0.00 177.57 177.82 1oz3 h SER 223 N 0.70 0.00 1.61 4.19 4.64 -2.00 -1.80 113.55 120.89 1oz3 h SER 223 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 1oz3 h SER 223 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 1oz3 h SER 223 CO -0.32 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.57 1oz3 h LEU 224 N 0.00 0.00-10.05 5.97 3.38 -1.55 -3.45 115.31 109.60 1oz3 h LEU 224 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1oz3 h LEU 224 Cb 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1oz3 h LEU 224 CO 0.00 0.00 -0.29 -0.36 0.09 0.00 0.00 178.44 177.88 1oz3 s PHE 225 N -3.33 3.48 0.48 1.13 0.40 -0.68 -4.82 117.98 114.64 1oz3 s PHE 225 Ca 0.06 0.44 -0.23 0.00 -0.60 0.00 0.00 56.93 56.60 1oz3 s PHE 225 Cb 0.07 -1.93 -0.07 0.00 0.51 0.00 0.00 43.02 41.60 1oz3 s PHE 225 CO 0.61 0.34 1.24 -0.65 0.70 0.00 0.00 175.22 177.46 1oz3 s GLN 226 N -3.27 3.57 0.28 0.44 -1.52 -1.26 -4.88 119.66 113.02 1oz3 s GLN 226 Ca 0.40 1.96 -0.04 0.00 -1.95 0.00 0.00 55.36 55.74 1oz3 s GLN 226 Cb -0.11 -2.39 0.57 0.00 -0.22 0.00 0.00 33.01 30.86 1oz3 s GLN 226 CO 0.28 -0.76 1.59 -0.44 -0.25 0.00 0.00 175.29 175.72 1oz3 h ASP 227 N 1.91 -0.52 -0.03 5.90 3.32 -1.97 0.67 116.42 125.71 1oz3 h ASP 227 Ca -0.50 0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 1oz3 h ASP 227 Cb 1.26 0.46 -0.01 0.00 0.22 0.00 0.00 39.33 41.27 1oz3 h ASP 227 CO 0.59 -0.28 -0.00 0.77 -1.72 0.00 0.00 179.24 178.60 1oz3 h SER 228 N 0.04 0.10 1.23 6.45 4.64 -1.96 -0.86 113.55 123.19 1oz3 h SER 228 Ca 0.50 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.68 1oz3 h SER 228 Cb 0.93 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 1oz3 h SER 228 CO -0.84 0.13 -0.66 1.56 -0.87 0.00 0.00 176.83 176.14 1oz3 h GLN 229 N 0.11 0.00 0.00 4.77 4.20 -1.21 -3.37 115.11 119.62 1oz3 h GLN 229 Ca 0.03 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.50 1oz3 h GLN 229 Cb 0.08 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.82 1oz3 h GLN 229 CO 0.00 0.66 -1.89 0.00 -0.67 0.00 0.00 178.83 176.93 1oz3 n ALA 230 N -2.28 1.83 -1.95 3.87 0.00 -0.85 -4.51 120.51 116.62 1oz3 n ALA 230 Ca 0.01 -0.86 -0.42 0.00 0.00 0.00 0.00 53.44 52.17 1oz3 n ALA 230 Cb 0.78 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 1oz3 n ALA 230 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1oz3 s VAL 231 N -2.80 3.21 -0.27 0.00 0.11 -0.39 -4.89 120.40 115.38 1oz3 s VAL 231 Ca -0.06 0.55 0.04 0.00 -2.93 0.00 0.00 61.98 59.57 1oz3 s VAL 231 Cb 0.08 -3.35 -0.03 0.00 -1.53 0.00 0.00 36.38 31.55 1oz3 s VAL 231 CO 0.83 -0.02 0.27 0.35 -3.33 0.00 0.00 175.10 173.21 1oz3 n THR 232 N 4.96 0.00 0.35 5.04 -2.24 -1.26 -4.76 114.28 116.37 1oz3 n THR 232 Ca 0.16 -0.42 0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1oz3 n THR 232 Cb 0.41 1.02 0.25 0.00 -2.10 0.00 0.00 70.33 69.92 1oz3 n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oz3 n HIS 233 N -0.82 0.55 -3.48 4.78 1.44 -1.26 -4.57 115.22 111.86 1oz3 n HIS 233 Ca 0.01 -0.27 -0.35 0.00 -2.01 0.00 0.00 57.72 55.10 1oz3 n HIS 233 Cb 0.07 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.13 1oz3 n HIS 233 CO 0.00 0.00 0.00 -0.80 -2.81 0.00 0.00 176.34 172.73 1oz3 s ASN 234 N -1.39 6.72 0.23 4.39 0.01 -1.26 -5.06 114.94 118.58 1oz3 s ASN 234 Ca 0.39 0.92 -0.06 0.00 -0.71 0.00 0.00 52.86 53.39 1oz3 s ASN 234 Cb 0.22 -2.23 -0.06 0.00 0.41 0.00 0.00 41.25 39.59 1oz3 s ASN 234 CO 0.31 0.15 0.50 -0.54 -1.51 0.00 0.00 177.10 176.00 1oz3 s LYS 235 N -1.91 3.69 -0.60 -0.60 1.02 -1.26 -5.01 119.74 115.06 1oz3 s LYS 235 Ca 0.35 0.07 -0.24 0.00 0.02 0.00 0.00 55.97 56.17 1oz3 s LYS 235 Cb -0.14 -2.70 0.05 0.00 -0.52 0.00 0.00 37.83 34.51 1oz3 s LYS 235 CO 0.18 0.32 0.97 1.21 -0.92 0.00 0.00 175.35 177.11 1oz3 s ASN 236 N -2.69 6.27 0.00 2.83 3.84 -1.26 -4.89 114.94 119.03 1oz3 s ASN 236 Ca 0.44 -0.57 0.28 0.00 0.21 0.00 0.00 52.86 53.23 1oz3 s ASN 236 Cb -0.11 -2.44 1.15 0.00 -0.55 0.00 0.00 41.25 39.30 1oz3 s ASN 236 CO 0.25 -1.34 1.80 0.61 -2.79 0.00 0.00 177.10 175.64 1oz3 n GLY 237 N 5.20 -0.47 3.76 1.21 0.00 -1.26 -4.89 105.19 108.74 1oz3 n GLY 237 Ca -0.00 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 1oz3 n GLY 237 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oz3 s PHE 238 N -2.21 3.49 0.07 1.61 0.40 -1.26 -4.99 117.98 115.08 1oz3 s PHE 238 Ca 0.35 1.64 0.06 0.00 -0.60 0.00 0.00 56.93 58.38 1oz3 s PHE 238 Cb 0.21 -3.36 -0.03 0.00 0.51 0.00 0.00 43.02 40.35 1oz3 s PHE 238 CO 0.41 -0.79 -0.16 0.15 0.70 0.00 0.00 175.22 175.53 1oz3 s LYS 239 N -1.45 0.97 0.14 0.44 -0.14 -1.26 -4.97 119.74 113.46 1oz3 s LYS 239 Ca 0.46 -0.95 -0.35 0.00 -1.36 0.00 0.00 55.97 53.76 1oz3 s LYS 239 Cb -0.33 -1.05 -0.15 0.00 -1.68 0.00 0.00 37.83 34.61 1oz3 s LYS 239 CO 0.43 0.25 1.40 1.28 -0.76 0.00 0.00 175.35 177.94 1oz3 n LEU 240 N 1.43 2.23 -1.16 3.17 4.77 -1.26 -4.69 117.00 121.49 1oz3 n LEU 240 Ca -0.20 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 1oz3 n LEU 240 Cb 0.54 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1oz3 n LEU 240 CO 0.22 -0.78 0.00 0.61 -1.33 0.00 0.00 177.39 176.11 1oz3 n GLY 241 N 2.71 -1.80 3.33 -0.72 0.00 -0.23 -4.99 105.19 103.48 1oz3 n GLY 241 Ca 0.17 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.71 1oz3 n GLY 241 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oz3 s LYS 243 N -0.23 0.71 0.19 1.61 1.02 -0.32 -4.55 119.74 118.16 1oz3 s LYS 243 Ca 0.00 0.14 -0.07 0.00 0.02 0.00 0.00 55.97 56.06 1oz3 s LYS 243 Cb 0.00 0.33 0.03 0.00 -0.52 0.00 0.00 37.83 37.66 1oz3 s LYS 243 CO 0.00 -0.18 0.37 1.47 -0.92 0.00 0.00 175.35 176.09 1oz3 n LEU 244 N 1.65 0.00 -4.35 3.17 -0.00 -0.17 -1.08 117.00 116.21 1oz3 n LEU 244 Ca -0.19 -1.22 -0.25 0.00 -0.00 0.00 0.00 56.01 54.36 1oz3 n LEU 244 Cb 0.56 1.78 -0.12 0.00 -0.00 0.00 0.00 43.42 45.65 1oz3 n LEU 244 CO 0.19 -0.40 -0.51 -1.61 -0.00 0.00 0.00 177.39 175.06 1oz3 s GLU 245 N -2.05 1.32 -0.08 1.47 2.02 -0.14 -0.97 118.70 120.27 1oz3 s GLU 245 Ca 0.08 -1.38 -0.32 0.00 0.02 0.00 0.00 54.97 53.37 1oz3 s GLU 245 Cb -0.02 -1.56 0.14 0.00 0.10 0.00 0.00 34.13 32.79 1oz3 s GLU 245 CO 0.06 0.34 1.38 0.20 0.02 0.00 0.00 175.26 177.26 1oz3 s GLY 246 N -2.42 -0.45 0.58 -1.39 0.00 -0.46 -0.87 107.32 102.30 1oz3 s GLY 246 Ca 0.15 0.93 -0.16 0.00 0.00 0.00 0.00 44.72 45.63 1oz3 s GLY 246 CO 0.07 0.19 1.04 -0.26 0.00 0.00 0.00 173.10 174.14 1oz3 s ILE 247 N -2.18 3.96 -0.35 0.90 -4.36 -0.81 -1.24 121.20 117.11 1oz3 s ILE 247 Ca 0.14 0.94 -0.26 0.00 -0.26 0.00 0.00 60.65 61.21 1oz3 s ILE 247 Cb 0.06 -3.45 0.01 0.00 1.25 0.00 0.00 42.46 40.33 1oz3 s ILE 247 CO -0.06 -0.54 0.95 -0.62 0.24 0.00 0.00 174.94 174.92 1oz3 s ASP 248 N -2.83 6.74 0.53 4.36 3.68 -1.25 -4.87 116.67 123.02 1oz3 s ASP 248 Ca 0.63 0.70 0.26 0.00 2.13 0.00 0.00 52.55 56.26 1oz3 s ASP 248 Cb -0.15 -2.48 1.40 0.00 -1.45 0.00 0.00 42.92 40.25 1oz3 s ASP 248 CO 0.35 -0.84 1.99 -0.65 0.13 0.00 0.00 175.17 176.15 1oz3 h PRO 249 N 8.36 0.00 0.00 4.34 0.11 -1.95 0.87 132.00 143.73 1oz3 h PRO 249 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 1oz3 h PRO 249 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1oz3 h PRO 249 CO 0.99 0.00 0.00 1.96 -0.21 0.00 0.00 178.00 180.74 1oz3 h GLN 250 N 0.00 0.00 -1.83 1.05 4.20 -1.97 -3.37 115.11 113.19 1oz3 h GLN 250 Ca 0.27 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.46 1oz3 h GLN 250 Cb 1.07 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 28.50 1oz3 h GLN 250 CO -0.00 0.00 -0.99 0.72 -0.67 0.00 0.00 178.83 177.88 1oz3 n HIS 251 N -2.52 -0.94 0.95 2.96 8.25 0.26 -4.55 115.22 119.62 1oz3 n HIS 251 Ca 0.05 -3.23 0.08 0.00 -0.26 0.00 0.00 57.72 54.36 1oz3 n HIS 251 Cb 0.45 0.06 0.46 0.00 1.12 0.00 0.00 29.99 32.07 1oz3 n HIS 251 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1oz3 n PRO 252 N 1.81 0.44 -0.54 -0.41 -0.05 -0.93 -3.97 135.00 131.35 1oz3 n PRO 252 Ca 0.22 0.03 -0.10 0.00 -0.05 0.00 0.00 63.50 63.59 1oz3 n PRO 252 Cb 0.53 -1.50 0.07 0.00 -0.05 0.00 0.00 33.50 32.55 1oz3 n PRO 252 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 1oz3 n SER 253 N -1.06 3.59 -3.64 3.54 3.41 -1.26 -4.82 113.62 113.37 1oz3 n SER 253 Ca 0.11 -2.70 -0.08 0.00 -0.26 0.00 0.00 58.87 55.94 1oz3 n SER 253 Cb 0.07 -0.68 -0.07 0.00 -0.26 0.00 0.00 64.21 63.27 1oz3 n SER 253 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1oz3 s TYR 255 N -1.40 -0.54 0.14 7.33 2.02 -1.26 -4.98 117.35 118.65 1oz3 s TYR 255 Ca 0.24 1.25 0.04 0.00 -0.37 0.00 0.00 57.07 58.23 1oz3 s TYR 255 Cb 0.20 0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 42.09 1oz3 s TYR 255 CO 0.04 -0.26 -0.10 -0.06 -1.57 0.00 0.00 175.55 173.60 1oz3 s PHE 256 N 0.55 1.20 0.02 2.71 0.40 -0.37 -1.07 117.98 121.42 1oz3 s PHE 256 Ca -0.00 -0.77 -0.30 0.00 -0.60 0.00 0.00 56.93 55.25 1oz3 s PHE 256 Cb -0.05 -0.62 -0.04 0.00 0.51 0.00 0.00 43.02 42.82 1oz3 s PHE 256 CO -0.08 0.05 1.02 0.42 0.70 0.00 0.00 175.22 177.33 1oz3 s ILE 257 N -3.31 4.66 0.06 0.64 -1.09 -1.26 -1.35 121.20 119.55 1oz3 s ILE 257 Ca 0.15 1.93 0.07 0.00 -2.23 0.00 0.00 60.65 60.57 1oz3 s ILE 257 Cb 0.03 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.64 1oz3 s ILE 257 CO -0.00 0.16 -0.18 -0.76 -1.23 0.00 0.00 174.94 172.93 1oz3 s LEU 258 N 0.93 2.21 0.04 2.97 1.43 -0.15 -2.47 118.68 123.64 1oz3 s LEU 258 Ca 0.53 -0.56 0.08 0.00 -1.03 0.00 0.00 54.13 53.15 1oz3 s LEU 258 Cb -0.23 -0.80 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 1oz3 s LEU 258 CO 0.28 0.07 -0.22 -0.89 0.23 0.00 0.00 176.35 175.82 1oz3 s THR 259 N -0.96 2.47 -0.33 5.49 2.01 0.10 -1.00 115.64 123.42 1oz3 s THR 259 Ca 0.04 -1.28 -0.28 0.00 0.31 0.00 0.00 61.69 60.48 1oz3 s THR 259 Cb -0.09 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.40 1oz3 s THR 259 CO 0.02 0.36 1.74 -0.69 -0.69 0.00 0.00 174.62 175.36 1oz3 s VAL 260 N -0.86 3.55 -0.07 3.82 1.01 -1.26 -0.77 120.40 125.81 1oz3 s VAL 260 Ca 0.13 0.56 0.11 0.00 0.00 0.00 0.00 61.98 62.78 1oz3 s VAL 260 Cb -0.10 -3.71 -0.24 0.00 0.00 0.00 0.00 36.38 32.33 1oz3 s VAL 260 CO 0.03 -0.44 0.54 0.00 0.00 0.00 0.00 175.10 175.24 1oz3 n ALA 261 N 9.90 1.43 -3.57 5.51 0.00 0.83 -1.07 120.51 133.53 1oz3 n ALA 261 Ca 0.22 -0.82 -0.14 0.00 0.00 0.00 0.00 53.44 52.70 1oz3 n ALA 261 Cb 0.47 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 19.11 1oz3 n ALA 261 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1oz3 s GLU 262 N -2.58 0.82 -0.03 0.00 2.12 -1.14 -4.94 118.70 112.95 1oz3 s GLU 262 Ca -0.08 0.43 0.06 0.00 0.36 0.00 0.00 54.97 55.75 1oz3 s GLU 262 Cb 0.08 0.39 -0.01 0.00 0.26 0.00 0.00 34.13 34.84 1oz3 s GLU 262 CO 0.82 -0.21 -0.22 0.08 -0.54 0.00 0.00 175.26 175.19 1oz3 s VAL 263 N -0.65 1.74 -0.25 3.70 1.01 -1.26 -0.70 120.40 123.99 1oz3 s VAL 263 Ca -0.04 -0.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.97 1oz3 s VAL 263 Cb -0.02 -1.46 0.09 0.00 0.00 0.00 0.00 36.38 35.00 1oz3 s VAL 263 CO 0.04 0.49 0.14 0.00 0.00 0.00 0.00 175.10 175.77 1oz3 n GLY 265 N 5.27 3.55 1.63 0.00 0.00 -1.23 -1.78 105.19 112.64 1oz3 n GLY 265 Ca -0.06 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 45.95 1oz3 n GLY 265 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1oz3 n TYR 266 N 13.59 1.69 -4.46 1.61 9.36 -1.25 -4.68 117.16 133.02 1oz3 n TYR 266 Ca 0.00 -0.59 -0.23 0.00 3.32 0.00 0.00 57.90 60.40 1oz3 n TYR 266 Cb 0.00 -0.43 -0.10 0.00 -0.63 0.00 0.00 39.34 38.18 1oz3 n TYR 266 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1oz3 s ARG 267 N -2.41 1.64 -0.01 2.98 0.52 -0.73 -0.55 118.95 120.38 1oz3 s ARG 267 Ca 0.45 -1.78 -0.12 0.00 -0.52 0.00 0.00 55.73 53.76 1oz3 s ARG 267 Cb 0.34 -1.61 0.02 0.00 0.52 0.00 0.00 34.95 34.21 1oz3 s ARG 267 CO 0.14 0.25 0.25 -0.48 0.02 0.00 0.00 175.30 175.47 1oz3 s LEU 268 N -3.49 1.10 -0.21 2.53 2.34 -0.26 -1.13 118.68 119.57 1oz3 s LEU 268 Ca 0.29 0.01 -0.08 0.00 0.06 0.00 0.00 54.13 54.41 1oz3 s LEU 268 Cb -0.02 1.04 -0.04 0.00 -0.56 0.00 0.00 46.19 46.61 1oz3 s LEU 268 CO 0.14 -0.40 0.09 -0.60 -1.06 0.00 0.00 176.35 174.52 1oz3 s ARG 269 N -1.26 3.96 -0.01 1.48 3.52 0.12 -1.10 118.95 125.66 1oz3 s ARG 269 Ca -0.13 -0.34 -0.00 0.00 -0.13 0.00 0.00 55.73 55.13 1oz3 s ARG 269 Cb -0.06 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.98 1oz3 s ARG 269 CO 0.03 0.16 0.06 -0.51 -0.81 0.00 0.00 175.30 174.23 1oz3 s LEU 270 N 0.70 3.80 -0.03 -0.88 1.43 0.67 -0.12 118.68 124.25 1oz3 s LEU 270 Ca 0.05 0.12 0.07 0.00 -1.03 0.00 0.00 54.13 53.33 1oz3 s LEU 270 Cb -0.13 -2.19 -0.01 0.00 0.03 0.00 0.00 46.19 43.89 1oz3 s LEU 270 CO 0.02 0.28 -0.24 -2.28 0.23 0.00 0.00 176.35 174.36 1oz3 s HIS 271 N -1.15 2.24 -0.43 0.29 5.65 0.05 -1.92 115.29 120.02 1oz3 s HIS 271 Ca 0.21 -0.53 -0.28 0.00 0.25 0.00 0.00 55.06 54.71 1oz3 s HIS 271 Cb -0.12 -1.46 0.02 0.00 -1.18 0.00 0.00 32.58 29.85 1oz3 s HIS 271 CO 0.12 -0.11 1.05 -0.06 -0.65 0.00 0.00 174.74 175.09 1oz3 s PHE 272 N -0.38 2.94 0.09 3.88 0.40 -1.26 -0.72 117.98 122.93 1oz3 s PHE 272 Ca 0.04 0.76 -0.34 0.00 -0.60 0.00 0.00 56.93 56.78 1oz3 s PHE 272 Cb -0.11 -4.09 -0.13 0.00 0.51 0.00 0.00 43.02 39.20 1oz3 s PHE 272 CO 0.01 -1.07 1.67 -0.25 0.70 0.00 0.00 175.22 176.27 1oz3 n ASP 273 N 7.37 3.22 0.00 1.36 9.92 -1.03 -1.14 116.55 136.24 1oz3 n ASP 273 Ca 0.10 1.05 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 1oz3 n ASP 273 Cb 0.48 -1.42 0.00 0.00 -0.64 0.00 0.00 41.12 39.55 1oz3 n ASP 273 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1oz3 n GLY 274 N 3.71 3.38 3.95 0.44 0.00 -1.26 -3.40 105.19 112.01 1oz3 n GLY 274 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1oz3 n GLY 274 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oz3 s TYR 275 N -2.99 2.26 0.57 1.61 1.51 -0.29 -4.56 117.35 115.46 1oz3 s TYR 275 Ca 0.00 -0.58 -0.20 0.00 -1.01 0.00 0.00 57.07 55.28 1oz3 s TYR 275 Cb 0.00 -2.20 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1oz3 s TYR 275 CO 0.00 -0.50 1.30 0.45 -1.11 0.00 0.00 175.55 175.69 1oz3 s SER 276 N -4.34 5.17 0.51 2.29 0.15 -1.26 -4.83 113.70 111.39 1oz3 s SER 276 Ca 0.51 2.62 0.34 0.00 0.70 0.00 0.00 55.95 60.12 1oz3 s SER 276 Cb -0.05 -2.62 1.72 0.00 -1.71 0.00 0.00 66.02 63.35 1oz3 s SER 276 CO 0.31 -1.63 2.04 1.05 1.20 0.00 0.00 173.24 176.21 1oz3 h GLU 277 N 1.18 0.00 0.00 5.44 4.11 -1.98 -2.93 114.58 120.40 1oz3 h GLU 277 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.92 1oz3 h GLU 277 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1oz3 h GLU 277 CO 0.56 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.64 1oz3 n HIS 279 N -2.86 0.00 -1.74 0.00 8.25 -1.10 -4.97 115.22 112.79 1oz3 n HIS 279 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 1oz3 n HIS 279 Cb 0.14 -0.03 0.06 0.00 1.12 0.00 0.00 29.99 31.28 1oz3 n HIS 279 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1oz3 s ASP 280 N -2.16 4.80 0.06 0.41 1.11 -0.99 -4.87 116.67 115.03 1oz3 s ASP 280 Ca 0.31 2.70 -0.03 0.00 0.18 0.00 0.00 52.55 55.71 1oz3 s ASP 280 Cb 0.20 -2.63 -0.03 0.00 1.07 0.00 0.00 42.92 41.54 1oz3 s ASP 280 CO 0.39 -1.88 0.03 0.72 1.18 0.00 0.00 175.17 175.62 1oz3 s PHE 281 N -1.35 0.39 -0.10 4.23 -0.12 -0.81 -4.95 117.98 115.27 1oz3 s PHE 281 Ca 0.79 -0.87 -0.06 0.00 -0.05 0.00 0.00 56.93 56.75 1oz3 s PHE 281 Cb -0.39 -0.28 -0.04 0.00 -0.63 0.00 0.00 43.02 41.68 1oz3 s PHE 281 CO 0.43 -0.41 0.12 -1.58 -0.05 0.00 0.00 175.22 173.74 1oz3 s TRP 282 N -3.63 3.53 0.21 3.49 0.52 -1.26 -0.24 118.94 121.56 1oz3 s TRP 282 Ca 0.04 0.46 0.01 0.00 0.02 0.00 0.00 56.10 56.63 1oz3 s TRP 282 Cb 0.05 -1.90 -0.05 0.00 -1.15 0.00 0.00 33.47 30.42 1oz3 s TRP 282 CO -0.09 0.69 0.05 0.14 0.02 0.00 0.00 176.95 177.76 1oz3 s VAL 283 N -1.04 0.59 0.43 4.03 -7.23 -0.26 -4.99 120.40 111.92 1oz3 s VAL 283 Ca 0.16 -1.99 -0.12 0.00 -1.81 0.00 0.00 61.98 58.22 1oz3 s VAL 283 Cb -0.12 -2.35 -0.07 0.00 0.56 0.00 0.00 36.38 34.41 1oz3 s VAL 283 CO 0.05 -0.26 0.82 0.20 -0.31 0.00 0.00 175.10 175.60 1oz3 s ASN 284 N -3.23 6.55 0.59 4.85 0.01 -1.26 -1.10 114.94 121.35 1oz3 s ASN 284 Ca 0.30 1.24 0.35 0.00 -0.71 0.00 0.00 52.86 54.04 1oz3 s ASN 284 Cb 0.07 -2.37 1.80 0.00 0.41 0.00 0.00 41.25 41.16 1oz3 s ASN 284 CO 0.08 -0.44 2.17 0.00 -1.51 0.00 0.00 177.10 177.40 1oz3 h ALA 285 N 1.20 1.12 -0.44 0.60 0.00 -1.16 -0.57 119.26 120.00 1oz3 h ALA 285 Ca -0.47 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1oz3 h ALA 285 Cb 1.19 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1oz3 h ALA 285 CO 0.63 0.05 0.03 0.27 0.00 0.00 0.00 179.25 180.23 1oz3 n ASN 286 N -3.30 4.39 -4.71 0.00 6.94 -1.26 -4.79 115.26 112.53 1oz3 n ASN 286 Ca -0.02 -2.71 -0.43 0.00 -0.02 0.00 0.00 54.58 51.40 1oz3 n ASN 286 Cb 0.19 -0.64 -0.02 0.00 -2.36 0.00 0.00 39.78 36.94 1oz3 n ASN 286 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1oz3 n SER 287 N 0.38 3.42 -0.42 0.53 2.88 -0.22 -4.80 113.62 115.39 1oz3 n SER 287 Ca 0.22 1.14 0.12 0.00 -1.33 0.00 0.00 58.87 59.02 1oz3 n SER 287 Cb 0.97 -1.53 0.50 0.00 -0.75 0.00 0.00 64.21 63.40 1oz3 n SER 287 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1oz3 n PRO 288 N 2.18 1.56 -0.56 -1.46 -0.04 -1.26 -4.06 135.00 131.36 1oz3 n PRO 288 Ca 0.10 -0.83 0.09 0.00 -0.04 0.00 0.00 63.50 62.82 1oz3 n PRO 288 Cb 0.34 -1.42 0.33 0.00 -0.04 0.00 0.00 33.50 32.71 1oz3 n PRO 288 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1oz3 n ASP 289 N 0.03 4.52 -4.19 3.54 8.00 -1.26 -4.79 116.55 122.39 1oz3 n ASP 289 Ca 0.18 -2.45 -0.17 0.00 0.71 0.00 0.00 54.79 53.05 1oz3 n ASP 289 Cb 0.29 -0.54 -0.11 0.00 -0.02 0.00 0.00 41.12 40.73 1oz3 n ASP 289 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1oz3 s ILE 290 N -1.85 1.09 0.04 0.53 -4.36 -1.26 -1.93 121.20 113.46 1oz3 s ILE 290 Ca 0.48 -1.52 -0.13 0.00 -0.26 0.00 0.00 60.65 59.22 1oz3 s ILE 290 Cb 0.31 -1.27 0.02 0.00 1.25 0.00 0.00 42.46 42.76 1oz3 s ILE 290 CO 0.22 -0.40 0.28 -1.00 0.24 0.00 0.00 174.94 174.28 1oz3 s HIS 291 N -1.91 -0.06 0.69 1.37 3.76 -0.05 -4.64 115.29 114.44 1oz3 s HIS 291 Ca 0.03 -0.09 -0.13 0.00 -0.15 0.00 0.00 55.06 54.73 1oz3 s HIS 291 Cb -0.06 0.06 0.01 0.00 1.11 0.00 0.00 32.58 33.70 1oz3 s HIS 291 CO 0.02 -0.48 1.08 -1.25 -0.85 0.00 0.00 174.74 173.26 1oz3 s PRO 292 N -2.52 2.76 0.15 8.40 0.04 -1.26 -0.97 135.00 141.60 1oz3 s PRO 292 Ca -0.05 1.20 -0.34 0.00 0.04 0.00 0.00 61.00 61.84 1oz3 s PRO 292 Cb -0.01 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.43 1oz3 s PRO 292 CO -0.03 -1.26 1.50 0.00 0.04 0.00 0.00 177.00 177.25 1oz3 n ALA 293 N -2.83 0.76 0.00 8.56 0.00 -1.26 -1.47 120.51 124.27 1oz3 n ALA 293 Ca 0.09 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.99 1oz3 n ALA 293 Cb 0.53 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1oz3 n ALA 293 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oz3 n GLY 294 N 3.08 0.57 0.31 0.00 0.00 -1.26 -4.97 105.19 102.92 1oz3 n GLY 294 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.10 1oz3 n GLY 294 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1oz3 h TRP 295 N 0.00 1.16 -0.71 1.61 7.01 -1.61 -2.95 115.95 120.46 1oz3 h TRP 295 Ca 0.00 -0.19 0.03 0.00 2.11 0.00 0.00 58.89 60.84 1oz3 h TRP 295 Cb 0.00 -0.31 -0.04 0.00 -2.10 0.00 0.00 29.16 26.71 1oz3 h TRP 295 CO 0.00 1.01 0.45 0.27 -2.79 0.00 0.00 178.44 177.38 1oz3 h PHE 296 N 0.98 0.85 -0.08 2.65 -0.00 -1.86 -2.07 116.94 117.40 1oz3 h PHE 296 Ca 0.18 0.02 -0.15 0.00 -0.00 0.00 0.00 57.97 58.02 1oz3 h PHE 296 Cb 0.54 -0.28 -0.01 0.00 -0.00 0.00 0.00 35.95 36.20 1oz3 h PHE 296 CO 0.04 0.49 -0.60 1.49 -0.00 0.00 0.00 178.31 179.73 1oz3 h GLU 297 N 0.89 0.28 0.00 6.09 4.22 -1.73 -0.98 114.58 123.34 1oz3 h GLU 297 Ca 0.28 -0.19 0.00 0.00 0.08 0.00 0.00 59.36 59.53 1oz3 h GLU 297 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1oz3 h GLU 297 CO -0.10 0.79 0.00 0.87 -2.18 0.00 0.00 179.01 178.39 1oz3 h LYS 298 N 0.21 0.00 0.00 1.92 1.57 -1.31 -3.34 116.57 115.61 1oz3 h LYS 298 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1oz3 h LYS 298 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 1oz3 h LYS 298 CO 0.09 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.22 1oz3 n THR 299 N -2.69 0.71 -1.87 -0.16 -2.24 -0.81 -5.02 114.28 102.19 1oz3 n THR 299 Ca 0.04 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1oz3 n THR 299 Cb 0.43 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1oz3 n THR 299 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oz3 n GLY 300 N -0.36 0.37 3.63 3.38 0.00 -1.02 -5.04 105.19 106.15 1oz3 n GLY 300 Ca 0.00 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 1oz3 n GLY 300 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1oz3 s HIS 301 N -2.00 2.94 0.15 1.61 3.76 -0.40 -5.06 115.29 116.28 1oz3 s HIS 301 Ca 0.00 -0.02 -0.24 0.00 -0.15 0.00 0.00 55.06 54.65 1oz3 s HIS 301 Cb 0.00 -1.60 -0.08 0.00 1.11 0.00 0.00 32.58 32.01 1oz3 s HIS 301 CO 0.00 0.41 0.75 0.15 -0.85 0.00 0.00 174.74 175.20 1oz3 s LYS 302 N -1.60 4.51 -0.25 1.40 1.02 -1.26 -4.42 119.74 119.14 1oz3 s LYS 302 Ca 0.19 1.09 -0.01 0.00 0.02 0.00 0.00 55.97 57.26 1oz3 s LYS 302 Cb -0.11 -3.25 0.03 0.00 -0.52 0.00 0.00 37.83 33.98 1oz3 s LYS 302 CO 0.10 0.58 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.86 1oz3 s LEU 303 N -1.16 3.20 -0.22 3.17 1.98 -1.26 -4.10 118.68 120.29 1oz3 s LEU 303 Ca 0.35 -0.97 -0.29 0.00 -2.89 0.00 0.00 54.13 50.33 1oz3 s LEU 303 Cb -0.22 -1.64 -0.03 0.00 0.66 0.00 0.00 46.19 44.96 1oz3 s LEU 303 CO 0.25 -0.14 1.59 -1.10 -1.89 0.00 0.00 176.35 175.07 1oz3 s GLN 304 N 1.28 3.83 0.86 1.98 -1.52 -0.24 -4.60 119.66 121.25 1oz3 s GLN 304 Ca -0.01 1.67 -0.12 0.00 -1.95 0.00 0.00 55.36 54.94 1oz3 s GLN 304 Cb -0.17 -4.02 0.11 0.00 -0.22 0.00 0.00 33.01 28.71 1oz3 s GLN 304 CO -0.05 -1.25 1.13 -1.25 -0.25 0.00 0.00 175.29 173.62 1oz3 s PRO 305 N 4.59 1.56 0.67 2.91 0.04 -1.26 -4.02 135.00 139.49 1oz3 s PRO 305 Ca 0.70 0.34 -0.17 0.00 0.04 0.00 0.00 61.00 61.91 1oz3 s PRO 305 Cb -0.25 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1oz3 s PRO 305 CO 0.29 -1.92 1.26 -1.25 0.04 0.00 0.00 177.00 175.42 1oz3 s PRO 306 N -5.31 2.47 0.11 0.56 0.04 -1.26 -4.76 135.00 126.85 1oz3 s PRO 306 Ca 0.63 1.96 -0.10 0.00 0.04 0.00 0.00 61.00 63.52 1oz3 s PRO 306 Cb -0.14 -1.85 0.10 0.00 0.04 0.00 0.00 34.50 32.65 1oz3 s PRO 306 CO 0.53 -1.63 0.79 1.17 0.04 0.00 0.00 177.00 177.90 1oz3 n LYS 307 N -2.11 -0.14 0.08 4.56 4.81 -1.22 -0.41 118.16 123.74 1oz3 n LYS 307 Ca 0.15 0.79 0.03 0.00 -0.87 0.00 0.00 58.31 58.40 1oz3 n LYS 307 Cb 0.49 -1.16 0.39 0.00 0.02 0.00 0.00 35.03 34.77 1oz3 n LYS 307 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1oz3 h GLY 308 N 0.00 0.36 -0.92 3.14 0.00 -1.90 -3.48 103.07 100.27 1oz3 h GLY 308 Ca 0.16 -0.19 -0.44 0.00 0.00 0.00 0.00 47.33 46.86 1oz3 h GLY 308 CO -0.50 0.18 0.13 -0.19 0.00 0.00 0.00 176.54 176.16 1oz3 s TYR 309 N -4.94 1.51 -0.01 5.60 2.02 0.45 -5.11 117.35 116.87 1oz3 s TYR 309 Ca -0.06 0.89 0.06 0.00 -0.37 0.00 0.00 57.07 57.58 1oz3 s TYR 309 Cb 0.16 -3.25 -0.03 0.00 -0.40 0.00 0.00 41.96 38.44 1oz3 s TYR 309 CO 0.73 -3.42 -0.18 0.15 -1.57 0.00 0.00 175.55 171.26 1oz3 s LYS 310 N -4.96 2.25 0.00 -0.62 -0.14 -1.26 -4.83 119.74 110.19 1oz3 s LYS 310 Ca 0.67 -0.86 -0.01 0.00 -1.36 0.00 0.00 55.97 54.42 1oz3 s LYS 310 Cb -0.18 -2.23 -0.00 0.00 -1.68 0.00 0.00 37.83 33.74 1oz3 s LYS 310 CO 0.59 0.58 0.60 -1.91 -0.76 0.00 0.00 175.35 174.45 1oz3 n GLU 311 N 2.04 -0.01 0.21 1.68 2.13 -1.26 -1.92 120.64 123.50 1oz3 n GLU 311 Ca -0.17 0.60 0.05 0.00 0.66 0.00 0.00 57.16 58.30 1oz3 n GLU 311 Cb 0.52 -0.90 0.45 0.00 0.27 0.00 0.00 31.44 31.78 1oz3 n GLU 311 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1oz3 h GLU 312 N 0.00 0.00 -0.73 5.31 5.08 -1.99 0.89 114.58 123.15 1oz3 h GLU 312 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1oz3 h GLU 312 Cb 0.01 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 1oz3 h GLU 312 CO -0.02 0.27 0.48 0.93 -1.00 0.00 0.00 179.01 179.67 1oz3 h GLU 313 N 0.00 0.54 -6.45 2.33 5.08 -1.82 -3.44 114.58 110.83 1oz3 h GLU 313 Ca -0.00 -0.03 -0.54 0.00 -1.00 0.00 0.00 59.36 57.79 1oz3 h GLU 313 Cb 0.50 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1oz3 h GLU 313 CO 0.04 0.36 0.71 0.12 -1.00 0.00 0.00 179.01 179.24 1oz3 s PHE 314 N -5.53 3.16 -0.01 4.33 5.36 0.30 -5.02 117.98 120.57 1oz3 s PHE 314 Ca -0.09 1.03 0.01 0.00 -0.96 0.00 0.00 56.93 56.92 1oz3 s PHE 314 Cb 0.20 -3.58 0.01 0.00 -0.34 0.00 0.00 43.02 39.31 1oz3 s PHE 314 CO 0.77 -2.00 -0.04 -1.54 -1.46 0.00 0.00 175.22 170.95 1oz3 s SER 315 N 1.40 0.56 0.21 6.13 1.04 -1.26 -5.06 113.70 116.72 1oz3 s SER 315 Ca 0.62 -0.08 -0.09 0.00 0.48 0.00 0.00 55.95 56.88 1oz3 s SER 315 Cb -0.32 -0.14 0.17 0.00 0.10 0.00 0.00 66.02 65.84 1oz3 s SER 315 CO 0.28 0.01 1.85 -0.50 0.98 0.00 0.00 173.24 175.87 1oz3 h TRP 316 N 6.40 1.07 -0.77 5.02 4.06 -1.98 -0.86 115.95 128.89 1oz3 h TRP 316 Ca -0.32 -0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.59 1oz3 h TRP 316 Cb 1.18 -0.35 -0.03 0.00 -1.00 0.00 0.00 29.16 28.95 1oz3 h TRP 316 CO 0.44 0.72 0.36 0.66 -3.56 0.00 0.00 178.44 177.06 1oz3 h SER 317 N 1.10 1.01 -0.40 -3.49 4.64 -1.99 -0.14 113.55 114.29 1oz3 h SER 317 Ca 0.29 -0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.39 1oz3 h SER 317 Cb -0.03 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.79 1oz3 h SER 317 CO -0.05 0.87 -0.05 1.56 -0.87 0.00 0.00 176.83 178.28 1oz3 h GLN 318 N 1.09 0.75 -0.47 4.77 4.20 -1.94 -2.51 115.11 120.99 1oz3 h GLN 318 Ca 0.26 -0.27 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1oz3 h GLN 318 Cb 0.14 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1oz3 h GLN 318 CO -0.03 0.86 -0.06 -0.92 -0.67 0.00 0.00 178.83 178.01 1oz3 h TYR 319 N 0.56 0.97 0.00 2.96 3.20 -0.71 -1.26 116.97 122.69 1oz3 h TYR 319 Ca 0.11 -0.19 -0.10 0.00 3.14 0.00 0.00 58.73 61.68 1oz3 h TYR 319 Cb 0.56 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 1oz3 h TYR 319 CO 0.04 0.94 -0.49 -0.07 -1.64 0.00 0.00 178.16 176.94 1oz3 h LEU 320 N 0.72 0.00 -0.25 2.82 3.38 -1.06 0.14 115.31 121.06 1oz3 h LEU 320 Ca 0.12 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1oz3 h LEU 320 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1oz3 h LEU 320 CO 0.04 0.49 -0.32 -0.09 0.09 0.00 0.00 178.44 178.64 1oz3 h ARG 321 N 0.00 0.66 -0.00 1.13 2.43 -1.12 -1.63 114.38 115.86 1oz3 h ARG 321 Ca -0.00 -0.38 -0.22 0.00 -0.81 0.00 0.00 59.98 58.56 1oz3 h ARG 321 Cb 0.94 0.03 0.02 0.00 -0.42 0.00 0.00 29.97 30.53 1oz3 h ARG 321 CO 0.06 0.99 -0.87 1.03 -1.51 0.00 0.00 179.97 179.67 1oz3 h SER 322 N 0.38 0.77 1.80 -3.80 0.87 -1.01 -3.25 113.55 109.31 1oz3 h SER 322 Ca 0.03 -0.75 0.00 0.00 -1.23 0.00 0.00 61.79 59.85 1oz3 h SER 322 Cb 0.90 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1oz3 h SER 322 CO 0.08 1.42 0.00 0.71 -0.53 0.00 0.00 176.83 178.50 1oz3 h THR 323 N 0.21 0.00 -1.33 2.23 1.35 -1.08 -3.48 112.91 110.80 1oz3 h THR 323 Ca -0.11 -0.84 -0.43 0.00 -0.55 0.00 0.00 66.41 64.49 1oz3 h THR 323 Cb 1.55 1.84 -0.14 0.00 -1.73 0.00 0.00 68.15 69.66 1oz3 h THR 323 CO 0.17 0.00 -0.41 0.54 -0.25 0.00 0.00 175.52 175.57 1oz3 n ARG 324 N -2.90 -1.50 -2.97 4.72 5.12 -0.61 -4.97 116.66 113.55 1oz3 n ARG 324 Ca 0.04 1.20 -0.25 0.00 -1.93 0.00 0.00 57.85 56.91 1oz3 n ARG 324 Cb 0.49 -5.63 -0.00 0.00 -1.16 0.00 0.00 32.46 26.16 1oz3 n ARG 324 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1oz3 s ALA 325 N -2.82 3.57 -0.17 7.54 0.00 -1.23 -5.06 121.76 123.59 1oz3 s ALA 325 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 51.96 51.10 1oz3 s ALA 325 Cb 0.00 -2.32 -0.05 0.00 0.00 0.00 0.00 23.12 20.75 1oz3 s ALA 325 CO 0.00 -0.26 0.13 -1.14 0.00 0.00 0.00 175.76 174.49 1oz3 s GLN 326 N -4.56 3.94 0.13 0.00 0.74 -1.26 -4.86 119.66 113.79 1oz3 s GLN 326 Ca 0.45 -0.21 -0.30 0.00 0.05 0.00 0.00 55.36 55.35 1oz3 s GLN 326 Cb -0.10 -3.33 -0.06 0.00 1.10 0.00 0.00 33.01 30.62 1oz3 s GLN 326 CO 0.40 0.44 1.01 0.00 -0.55 0.00 0.00 175.29 176.59 1oz3 s ALA 327 N -0.05 3.28 -0.00 1.58 0.00 -1.26 -1.17 121.76 124.14 1oz3 s ALA 327 Ca 0.10 0.65 -0.37 0.00 0.00 0.00 0.00 51.96 52.34 1oz3 s ALA 327 Cb -0.11 -3.31 -0.16 0.00 0.00 0.00 0.00 23.12 19.54 1oz3 s ALA 327 CO -0.00 -0.09 1.48 0.00 0.00 0.00 0.00 175.76 177.15 1oz3 n ALA 328 N 2.70 -0.52 -1.69 0.00 0.00 -0.24 -4.80 120.51 115.96 1oz3 n ALA 328 Ca 0.03 0.47 -0.43 0.00 0.00 0.00 0.00 53.44 53.51 1oz3 n ALA 328 Cb 0.48 -2.15 -0.01 0.00 0.00 0.00 0.00 19.45 17.77 1oz3 n ALA 328 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1oz3 n PRO 329 N 3.44 2.07 -0.34 0.00 -0.02 -1.26 -4.62 135.00 134.26 1oz3 n PRO 329 Ca 0.20 0.72 0.13 0.00 -2.02 0.00 0.00 63.50 62.54 1oz3 n PRO 329 Cb 0.19 -2.29 0.33 0.00 -0.02 0.00 0.00 33.50 31.71 1oz3 n PRO 329 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1oz3 h LYS 330 N 2.49 0.74 0.00 -0.52 1.57 -1.97 -2.58 116.57 116.30 1oz3 h LYS 330 Ca -0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1oz3 h LYS 330 Cb 1.29 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1oz3 h LYS 330 CO 0.62 0.49 0.00 -2.39 -0.57 0.00 0.00 179.45 177.60 1oz3 n HIS 331 N -4.71 0.77 0.50 -1.35 1.44 -1.26 -1.69 115.22 108.92 1oz3 n HIS 331 Ca 0.22 0.37 0.13 0.00 -2.01 0.00 0.00 57.72 56.43 1oz3 n HIS 331 Cb 0.56 -1.10 0.44 0.00 0.12 0.00 0.00 29.99 30.01 1oz3 n HIS 331 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 1oz3 h LEU 332 N 0.00 0.00 -8.97 2.39 3.38 -1.83 -3.46 115.31 106.81 1oz3 h LEU 332 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.34 1oz3 h LEU 332 Cb 0.11 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.71 1oz3 h LEU 332 CO 0.00 0.00 -0.40 -0.36 0.09 0.00 0.00 178.44 177.77 1oz3 s PHE 333 N -3.21 3.26 0.29 1.13 0.40 -0.68 -4.87 117.98 114.29 1oz3 s PHE 333 Ca 0.08 0.28 0.24 0.00 -0.60 0.00 0.00 56.93 56.92 1oz3 s PHE 333 Cb 0.11 -2.43 1.12 0.00 0.51 0.00 0.00 43.02 42.33 1oz3 s PHE 333 CO 0.52 -0.12 1.93 -0.39 0.70 0.00 0.00 175.22 177.86 1oz3 h VAL 334 N 5.27 0.66 -3.46 -0.44 -1.51 -1.87 -3.41 116.25 111.49 1oz3 h VAL 334 Ca -0.35 -0.91 -0.61 0.00 -1.23 0.00 0.00 66.70 63.60 1oz3 h VAL 334 Cb 1.17 1.59 -0.37 0.00 -2.13 0.00 0.00 31.29 31.55 1oz3 h VAL 334 CO 0.62 0.20 -0.80 -0.55 -1.23 0.00 0.00 177.57 175.81 1oz3 s SER 335 N -6.26 3.44 -0.04 4.19 0.15 -1.26 -4.93 113.70 109.00 1oz3 s SER 335 Ca -0.01 -0.93 0.05 0.00 0.70 0.00 0.00 55.95 55.76 1oz3 s SER 335 Cb 0.12 -1.20 0.08 0.00 -1.71 0.00 0.00 66.02 63.31 1oz3 s SER 335 CO 0.63 -0.17 0.97 0.00 1.20 0.00 0.00 173.24 175.87 1oz3 n GLN 336 N 4.70 0.59 -2.57 5.44 6.02 -1.26 -4.60 117.38 125.70 1oz3 n GLN 336 Ca -0.14 -1.40 -0.16 0.00 -0.01 0.00 0.00 57.00 55.28 1oz3 n GLN 336 Cb 0.46 -0.82 0.01 0.00 1.02 0.00 0.00 30.24 30.91 1oz3 n GLN 336 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1oz3 n SER 337 N -0.44 -4.86 0.05 1.08 7.64 -1.26 -4.91 113.62 110.93 1oz3 n SER 337 Ca 0.04 -0.12 0.11 0.00 1.01 0.00 0.00 58.87 59.92 1oz3 n SER 337 Cb 0.62 -3.84 -0.04 0.00 -1.01 0.00 0.00 64.21 59.93 1oz3 n SER 337 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1oz3 n HIS 338 N -4.11 0.52 -2.18 1.43 8.25 -1.26 -4.88 115.22 112.99 1oz3 n HIS 338 Ca -0.14 0.15 -0.30 0.00 -0.26 0.00 0.00 57.72 57.18 1oz3 n HIS 338 Cb 0.62 -0.70 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1oz3 n HIS 338 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1oz3 s SER 339 N -4.78 6.28 0.13 0.41 0.01 -1.26 -5.06 113.70 109.44 1oz3 s SER 339 Ca -0.02 1.26 -0.31 0.00 1.31 0.00 0.00 55.95 58.19 1oz3 s SER 339 Cb 0.12 -2.40 -0.10 0.00 0.21 0.00 0.00 66.02 63.85 1oz3 s SER 339 CO 0.83 -0.74 1.79 -2.16 0.41 0.00 0.00 173.24 173.37 1oz3 s PRO 340 N -4.92 4.14 0.70 12.44 0.04 -1.26 -4.54 135.00 141.60 1oz3 s PRO 340 Ca 0.53 2.58 -0.16 0.00 0.04 0.00 0.00 61.00 63.98 1oz3 s PRO 340 Cb -0.11 -3.50 -0.01 0.00 0.04 0.00 0.00 34.50 30.93 1oz3 s PRO 340 CO 0.49 -0.82 0.95 -2.30 0.04 0.00 0.00 177.00 175.36 1oz3 n PRO 341 N 5.36 0.57 -0.84 0.56 -0.02 -1.26 -4.46 135.00 134.92 1oz3 n PRO 341 Ca 0.17 0.25 -0.31 0.00 -2.02 0.00 0.00 63.50 61.58 1oz3 n PRO 341 Cb 0.38 -2.20 0.15 0.00 -0.02 0.00 0.00 33.50 31.81 1oz3 n PRO 341 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1oz3 s PRO 342 N -3.21 1.27 -0.54 0.52 0.04 -1.24 -4.87 135.00 126.97 1oz3 s PRO 342 Ca 0.74 1.55 -0.18 0.00 0.04 0.00 0.00 61.00 63.14 1oz3 s PRO 342 Cb -0.36 -1.76 0.08 0.00 0.04 0.00 0.00 34.50 32.51 1oz3 s PRO 342 CO 0.50 -2.45 0.61 -0.51 0.04 0.00 0.00 177.00 175.19 1oz3 s LEU 343 N -6.37 5.34 0.00 -3.56 1.02 -1.26 -3.92 118.68 109.93 1oz3 s LEU 343 Ca 0.67 -1.25 0.00 0.00 0.02 0.00 0.00 54.13 53.57 1oz3 s LEU 343 Cb -0.23 -2.33 0.00 0.00 0.02 0.00 0.00 46.19 43.65 1oz3 s LEU 343 CO 0.56 -0.94 0.00 0.61 0.02 0.00 0.00 176.35 176.60 1oz3 n GLY 344 N 5.23 1.07 3.30 -3.19 0.00 -1.26 -4.75 105.19 105.58 1oz3 n GLY 344 Ca -0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.48 1oz3 n GLY 344 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oz3 s PHE 345 N -1.06 3.29 0.21 1.61 0.40 -1.25 -4.41 117.98 116.76 1oz3 s PHE 345 Ca 0.00 -1.38 0.08 0.00 -0.60 0.00 0.00 56.93 55.03 1oz3 s PHE 345 Cb 0.00 -3.65 -0.04 0.00 0.51 0.00 0.00 43.02 39.84 1oz3 s PHE 345 CO 0.00 -0.99 -0.01 -0.65 0.70 0.00 0.00 175.22 174.27 1oz3 s GLN 346 N 1.55 2.32 0.21 0.44 -1.52 -1.26 -4.67 119.66 116.73 1oz3 s GLN 346 Ca 0.04 -1.23 -0.32 0.00 -1.95 0.00 0.00 55.36 51.90 1oz3 s GLN 346 Cb -0.28 -2.27 -0.13 0.00 -0.22 0.00 0.00 33.01 30.11 1oz3 s GLN 346 CO 0.03 0.42 1.53 0.28 -0.25 0.00 0.00 175.29 177.30 1oz3 n VAL 347 N -0.35 0.50 -0.54 1.09 0.31 -1.26 -4.64 118.33 113.44 1oz3 n VAL 347 Ca -0.09 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1oz3 n VAL 347 Cb 0.56 -1.62 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 1oz3 n VAL 347 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1oz3 n GLY 348 N 2.83 0.54 3.25 2.92 0.00 0.20 -5.01 105.19 109.90 1oz3 n GLY 348 Ca 0.14 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 1oz3 n GLY 348 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oz3 s LYS 350 N -0.41 0.80 0.26 1.61 -0.14 -0.26 -4.60 119.74 116.99 1oz3 s LYS 350 Ca 0.00 -0.50 -0.21 0.00 -1.36 0.00 0.00 55.97 53.90 1oz3 s LYS 350 Cb 0.00 0.35 0.05 0.00 -1.68 0.00 0.00 37.83 36.55 1oz3 s LYS 350 CO 0.00 -0.26 0.85 -0.48 -0.76 0.00 0.00 175.35 174.71 1oz3 s LEU 351 N -2.04 -0.13 -0.13 3.17 2.34 -0.52 -1.01 118.68 120.36 1oz3 s LEU 351 Ca -0.05 -0.70 -0.03 0.00 0.06 0.00 0.00 54.13 53.40 1oz3 s LEU 351 Cb -0.01 2.51 -0.03 0.00 -0.56 0.00 0.00 46.19 48.09 1oz3 s LEU 351 CO -0.03 -1.26 -0.01 -1.61 -1.06 0.00 0.00 176.35 172.38 1oz3 s GLU 352 N -3.08 3.46 0.01 1.48 2.02 0.36 -1.10 118.70 121.86 1oz3 s GLU 352 Ca 0.14 -0.46 0.01 0.00 0.02 0.00 0.00 54.97 54.68 1oz3 s GLU 352 Cb -0.04 -2.91 -0.01 0.00 0.10 0.00 0.00 34.13 31.27 1oz3 s GLU 352 CO 0.07 0.41 -0.04 0.00 0.02 0.00 0.00 175.26 175.72 1oz3 s ALA 353 N -0.08 0.26 0.23 5.21 0.00 -0.27 -0.19 121.76 126.92 1oz3 s ALA 353 Ca 0.03 -0.33 -0.30 0.00 0.00 0.00 0.00 51.96 51.36 1oz3 s ALA 353 Cb -0.13 0.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.91 1oz3 s ALA 353 CO 0.02 -0.01 1.29 0.08 0.00 0.00 0.00 175.76 177.14 1oz3 s VAL 354 N -0.61 3.15 -0.68 0.00 1.01 0.43 -0.34 120.40 123.37 1oz3 s VAL 354 Ca -0.05 0.99 -0.25 0.00 0.00 0.00 0.00 61.98 62.67 1oz3 s VAL 354 Cb -0.05 -3.63 0.04 0.00 0.00 0.00 0.00 36.38 32.74 1oz3 s VAL 354 CO -0.00 0.17 1.14 -0.62 0.00 0.00 0.00 175.10 175.79 1oz3 s ASP 355 N 0.08 6.21 0.00 3.32 -1.08 -0.43 -4.94 116.67 119.83 1oz3 s ASP 355 Ca 0.54 -0.55 0.00 0.00 -0.52 0.00 0.00 52.55 52.02 1oz3 s ASP 355 Cb -0.37 -2.50 0.00 0.00 -1.46 0.00 0.00 42.92 38.59 1oz3 s ASP 355 CO 0.41 -1.62 0.02 0.54 0.52 0.00 0.00 175.17 175.04 1oz3 n ARG 356 N 8.57 0.01 -0.59 4.34 1.74 -1.26 -1.27 116.66 128.20 1oz3 n ARG 356 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1oz3 n ARG 356 Cb 0.48 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1oz3 n ARG 356 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1oz3 n ASN 358 N 1.68 -0.75 0.02 0.55 3.02 -1.26 -5.05 115.26 113.46 1oz3 n ASN 358 Ca 0.00 -0.44 0.01 0.00 -0.03 0.00 0.00 54.58 54.12 1oz3 n ASN 358 Cb 0.01 -0.10 0.07 0.00 -0.61 0.00 0.00 39.78 39.15 1oz3 n ASN 358 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1oz3 n PRO 359 N 2.22 0.02 0.17 3.52 -0.04 -0.40 -1.35 135.00 139.14 1oz3 n PRO 359 Ca 0.00 0.51 0.14 0.00 -0.04 0.00 0.00 63.50 64.11 1oz3 n PRO 359 Cb 0.19 -1.56 0.54 0.00 -0.04 0.00 0.00 33.50 32.63 1oz3 n PRO 359 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1oz3 h SER 360 N 0.00 0.00 -3.27 3.54 4.64 -1.97 -3.45 113.55 113.05 1oz3 h SER 360 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 1oz3 h SER 360 Cb 0.01 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.99 1oz3 h SER 360 CO 0.00 0.00 -0.46 -0.76 -0.87 0.00 0.00 176.83 174.74 1oz3 s LEU 361 N -5.00 4.22 -0.17 5.97 1.43 -0.46 -5.02 118.68 119.65 1oz3 s LEU 361 Ca 0.04 0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1oz3 s LEU 361 Cb 0.09 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1oz3 s LEU 361 CO 0.45 0.17 -0.07 -0.69 0.23 0.00 0.00 176.35 176.44 1oz3 s VAL 362 N 0.36 3.41 0.19 -1.59 1.01 -1.26 -1.31 120.40 121.21 1oz3 s VAL 362 Ca 0.10 -0.51 0.06 0.00 0.00 0.00 0.00 61.98 61.62 1oz3 s VAL 362 Cb -0.11 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1oz3 s VAL 362 CO -0.01 0.48 -0.10 0.00 0.00 0.00 0.00 175.10 175.47 1oz3 s VAL 364 N -3.18 3.39 0.20 0.00 1.01 -0.57 -1.11 120.40 120.14 1oz3 s VAL 364 Ca 0.22 0.99 -0.07 0.00 0.00 0.00 0.00 61.98 63.11 1oz3 s VAL 364 Cb 0.02 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.75 1oz3 s VAL 364 CO 0.05 0.07 0.28 0.00 0.00 0.00 0.00 175.10 175.51 1oz3 s ALA 365 N 1.17 0.39 0.03 5.51 0.00 -0.26 -2.98 121.76 125.63 1oz3 s ALA 365 Ca 0.64 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 51.39 1oz3 s ALA 365 Cb -0.36 1.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.86 1oz3 s ALA 365 CO 0.30 -0.69 -0.04 -1.12 0.00 0.00 0.00 175.76 174.21 1oz3 s SER 366 N -3.06 0.38 -0.23 0.00 0.01 -0.37 -1.44 113.70 108.99 1oz3 s SER 366 Ca 0.27 -0.59 -0.25 0.00 1.31 0.00 0.00 55.95 56.69 1oz3 s SER 366 Cb 0.03 0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.36 1oz3 s SER 366 CO 0.08 -0.34 0.82 -0.69 0.41 0.00 0.00 173.24 173.52 1oz3 s VAL 367 N -1.87 4.85 -0.48 3.43 1.01 -1.26 -0.97 120.40 125.12 1oz3 s VAL 367 Ca -0.11 1.57 0.06 0.00 0.00 0.00 0.00 61.98 63.50 1oz3 s VAL 367 Cb -0.07 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.17 1oz3 s VAL 367 CO -0.02 -0.05 0.41 0.35 0.00 0.00 0.00 175.10 175.79 1oz3 n THR 368 N 5.15 0.00 -3.66 3.92 -2.24 -0.68 -0.63 114.28 116.13 1oz3 n THR 368 Ca 0.05 -0.40 -0.15 0.00 -2.27 0.00 0.00 64.05 61.28 1oz3 n THR 368 Cb 0.48 1.05 -0.08 0.00 -2.10 0.00 0.00 70.33 69.67 1oz3 n THR 368 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1oz3 s ASP 369 N -1.27 -0.47 -0.03 3.42 -1.08 -1.25 -4.92 116.67 111.06 1oz3 s ASP 369 Ca 0.04 0.65 0.00 0.00 -0.52 0.00 0.00 52.55 52.72 1oz3 s ASP 369 Cb 0.05 0.67 0.03 0.00 -1.46 0.00 0.00 42.92 42.21 1oz3 s ASP 369 CO 0.20 -0.40 0.00 -0.69 0.52 0.00 0.00 175.17 174.81 1oz3 s VAL 370 N -0.68 0.18 -0.11 1.11 1.01 -1.26 -1.55 120.40 119.11 1oz3 s VAL 370 Ca -0.08 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.98 1oz3 s VAL 370 Cb -0.03 -0.30 0.05 0.00 0.00 0.00 0.00 36.38 36.10 1oz3 s VAL 370 CO 0.05 0.16 0.11 -0.69 0.00 0.00 0.00 175.10 174.73 1oz3 s VAL 371 N 1.21 -0.17 0.00 2.92 1.01 -0.26 -5.01 120.40 120.09 1oz3 s VAL 371 Ca -0.07 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1oz3 s VAL 371 Cb -0.13 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.87 1oz3 s VAL 371 CO -0.02 -0.01 0.00 0.47 0.00 0.00 0.00 175.10 175.54 1oz3 n ASP 372 N 5.30 0.00 -1.01 3.32 8.00 -1.26 -1.60 116.55 129.30 1oz3 n ASP 372 Ca -0.05 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.54 1oz3 n ASP 372 Cb 0.50 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 41.85 1oz3 n ASP 372 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1oz3 n SER 373 N 5.03 2.94 -4.57 -2.24 3.41 -1.26 -3.61 113.62 113.32 1oz3 n SER 373 Ca 0.00 -1.98 -0.24 0.00 -0.26 0.00 0.00 58.87 56.39 1oz3 n SER 373 Cb 0.00 -0.35 -0.09 0.00 -0.26 0.00 0.00 64.21 63.52 1oz3 n SER 373 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1oz3 s ARG 374 N -1.31 2.02 0.14 4.33 0.52 -0.63 -4.55 118.95 119.48 1oz3 s ARG 374 Ca 0.37 -1.51 -0.06 0.00 -0.52 0.00 0.00 55.73 54.01 1oz3 s ARG 374 Cb 0.20 -2.02 -0.02 0.00 0.52 0.00 0.00 34.95 33.63 1oz3 s ARG 374 CO 0.26 0.37 0.19 -0.59 0.02 0.00 0.00 175.30 175.55 1oz3 s PHE 375 N -2.25 0.55 -0.25 -0.53 -0.12 -0.17 -1.11 117.98 114.11 1oz3 s PHE 375 Ca 0.29 -0.92 -0.08 0.00 -0.05 0.00 0.00 56.93 56.17 1oz3 s PHE 375 Cb -0.06 -0.21 -0.03 0.00 -0.63 0.00 0.00 43.02 42.08 1oz3 s PHE 375 CO 0.17 -0.63 0.09 -1.17 -0.05 0.00 0.00 175.22 173.63 1oz3 s LEU 376 N -2.99 3.57 -0.21 -1.99 2.96 -0.59 -0.55 118.68 118.87 1oz3 s LEU 376 Ca 0.18 -0.14 -0.16 0.00 -0.22 0.00 0.00 54.13 53.79 1oz3 s LEU 376 Cb 0.05 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 1oz3 s LEU 376 CO -0.00 -0.01 0.42 -0.69 -1.32 0.00 0.00 176.35 174.74 1oz3 s VAL 377 N 1.49 5.17 -0.03 1.68 1.01 -0.31 -1.69 120.40 127.72 1oz3 s VAL 377 Ca 0.06 0.74 0.08 0.00 0.00 0.00 0.00 61.98 62.85 1oz3 s VAL 377 Cb -0.15 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 1oz3 s VAL 377 CO 0.05 0.22 -0.26 -2.28 0.00 0.00 0.00 175.10 172.83 1oz3 s HIS 378 N 1.53 2.33 -0.32 5.22 2.46 -0.14 -2.11 115.29 124.27 1oz3 s HIS 378 Ca 0.19 -0.50 -0.20 0.00 0.47 0.00 0.00 55.06 55.03 1oz3 s HIS 378 Cb -0.15 -1.51 -0.01 0.00 -0.13 0.00 0.00 32.58 30.79 1oz3 s HIS 378 CO 0.08 -0.08 0.59 -0.06 -2.47 0.00 0.00 174.74 172.81 1oz3 s PHE 379 N -0.51 3.20 0.21 3.88 0.40 -1.26 -1.23 117.98 122.67 1oz3 s PHE 379 Ca 0.07 0.48 -0.32 0.00 -0.60 0.00 0.00 56.93 56.56 1oz3 s PHE 379 Cb -0.11 -2.97 -0.14 0.00 0.51 0.00 0.00 43.02 40.32 1oz3 s PHE 379 CO 0.00 -0.49 1.38 -0.25 0.70 0.00 0.00 175.22 176.56 1oz3 n ASP 380 N 5.84 2.49 0.00 1.36 10.43 -1.16 -1.76 116.55 133.75 1oz3 n ASP 380 Ca -0.02 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.47 1oz3 n ASP 380 Cb 0.49 -1.38 0.00 0.00 1.84 0.00 0.00 41.12 42.07 1oz3 n ASP 380 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1oz3 n ASN 381 N 2.29 0.00 -4.92 -2.24 4.13 -1.26 -3.15 115.26 110.10 1oz3 n ASN 381 Ca 0.13 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.18 1oz3 n ASN 381 Cb 0.29 -0.58 -0.02 0.00 -1.54 0.00 0.00 39.78 37.93 1oz3 n ASN 381 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1oz3 s TRP 382 N -3.03 3.18 0.40 3.10 0.52 -0.72 -4.57 118.94 117.82 1oz3 s TRP 382 Ca 0.00 -0.15 -0.07 0.00 0.02 0.00 0.00 56.10 55.91 1oz3 s TRP 382 Cb 0.00 -1.69 0.10 0.00 -1.15 0.00 0.00 33.47 30.73 1oz3 s TRP 382 CO 0.00 0.29 0.39 -0.40 0.02 0.00 0.00 176.95 177.25 1oz3 n ASP 383 N -1.42 -1.02 -0.61 2.95 5.68 -1.26 -4.84 116.55 116.03 1oz3 n ASP 383 Ca -0.05 -0.83 0.10 0.00 -0.50 0.00 0.00 54.79 53.50 1oz3 n ASP 383 Cb 0.58 -0.34 0.33 0.00 -1.14 0.00 0.00 41.12 40.54 1oz3 n ASP 383 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1oz3 n ASP 384 N -3.55 1.83 0.27 -1.12 5.75 -1.26 -4.28 116.55 114.19 1oz3 n ASP 384 Ca 0.05 -1.78 0.14 0.00 -0.01 0.00 0.00 54.79 53.19 1oz3 n ASP 384 Cb 0.20 -0.14 0.76 0.00 -1.03 0.00 0.00 41.12 40.91 1oz3 n ASP 384 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1oz3 h THR 385 N 2.33 0.52 -0.01 2.12 1.35 -1.93 -1.84 112.91 115.44 1oz3 h THR 385 Ca 0.00 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.41 1oz3 h THR 385 Cb 0.51 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1oz3 h THR 385 CO 0.00 0.10 -0.31 -1.22 -0.25 0.00 0.00 175.52 173.84 1oz3 n TYR 386 N -3.62 0.00 -1.46 4.73 4.02 -1.26 -4.94 117.16 114.63 1oz3 n TYR 386 Ca -0.02 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.55 1oz3 n TYR 386 Cb 0.22 -0.05 0.08 0.00 -0.02 0.00 0.00 39.34 39.57 1oz3 n TYR 386 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1oz3 s ASP 387 N -2.40 4.64 0.00 7.72 1.11 -0.69 -4.80 116.67 122.25 1oz3 s ASP 387 Ca 0.23 1.98 -0.21 0.00 0.18 0.00 0.00 52.55 54.73 1oz3 s ASP 387 Cb 0.19 -2.54 0.04 0.00 1.07 0.00 0.00 42.92 41.68 1oz3 s ASP 387 CO 0.51 -1.95 0.46 -0.72 1.18 0.00 0.00 175.17 174.65 1oz3 s TYR 388 N -2.54 -0.36 0.12 4.23 -0.85 -0.90 -4.84 117.35 112.21 1oz3 s TYR 388 Ca 0.65 0.49 -0.20 0.00 -0.52 0.00 0.00 57.07 57.50 1oz3 s TYR 388 Cb -0.20 0.25 -0.07 0.00 0.38 0.00 0.00 41.96 42.31 1oz3 s TYR 388 CO 0.48 -0.54 0.63 -1.58 -1.52 0.00 0.00 175.55 173.03 1oz3 s TRP 389 N -1.82 3.78 0.05 -3.49 0.52 -1.26 -1.17 118.94 115.55 1oz3 s TRP 389 Ca -0.09 1.33 -0.02 0.00 0.02 0.00 0.00 56.10 57.34 1oz3 s TRP 389 Cb -0.02 -2.55 0.01 0.00 -1.15 0.00 0.00 33.47 29.76 1oz3 s TRP 389 CO 0.03 0.52 0.09 0.00 0.02 0.00 0.00 176.95 177.60 1oz3 s ASP 391 N -1.25 3.16 0.27 0.00 3.84 -1.26 -1.00 116.67 120.44 1oz3 s ASP 391 Ca 0.02 -1.42 0.11 0.00 -0.00 0.00 0.00 52.55 51.26 1oz3 s ASP 391 Cb -0.01 -0.10 0.62 0.00 -1.38 0.00 0.00 42.92 42.06 1oz3 s ASP 391 CO 0.02 -0.60 1.24 -2.65 -0.00 0.00 0.00 175.17 173.18 1oz3 n PRO 392 N -0.87 0.08 -0.21 2.11 -0.02 -1.26 -1.89 135.00 132.94 1oz3 n PRO 392 Ca -0.05 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 62.07 1oz3 n PRO 392 Cb 0.67 -2.03 0.21 0.00 -0.02 0.00 0.00 33.50 32.33 1oz3 n PRO 392 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1oz3 n SER 393 N -1.95 3.39 -4.71 2.55 3.41 -1.25 -2.10 113.62 112.96 1oz3 n SER 393 Ca -0.01 -1.96 -0.43 0.00 -0.26 0.00 0.00 58.87 56.22 1oz3 n SER 393 Cb 0.29 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 1oz3 n SER 393 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1oz3 n SER 394 N 1.35 3.55 0.00 4.04 2.88 -0.79 -2.14 113.62 122.51 1oz3 n SER 394 Ca 0.18 1.12 0.12 0.00 -1.33 0.00 0.00 58.87 58.96 1oz3 n SER 394 Cb 0.57 -1.53 0.66 0.00 -0.75 0.00 0.00 64.21 63.16 1oz3 n SER 394 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1oz3 n PRO 395 N 2.61 0.59 0.00 -1.46 -0.04 -1.26 -3.62 135.00 131.82 1oz3 n PRO 395 Ca 0.12 0.03 0.12 0.00 -0.04 0.00 0.00 63.50 63.73 1oz3 n PRO 395 Cb 0.34 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.49 1oz3 n PRO 395 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1oz3 n TYR 396 N -1.12 0.00 -4.70 0.54 4.02 -1.26 -4.94 117.16 109.71 1oz3 n TYR 396 Ca 0.15 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.76 1oz3 n TYR 396 Cb 0.12 -0.01 -0.14 0.00 -0.02 0.00 0.00 39.34 39.30 1oz3 n TYR 396 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 176.86 176.81 1oz3 s ILE 397 N -2.11 2.00 0.04 -0.72 -4.36 -1.24 -0.43 121.20 114.38 1oz3 s ILE 397 Ca 0.28 -1.41 -0.04 0.00 -0.26 0.00 0.00 60.65 59.22 1oz3 s ILE 397 Cb 0.20 -1.73 -0.01 0.00 1.25 0.00 0.00 42.46 42.16 1oz3 s ILE 397 CO 0.36 0.24 0.07 -1.00 0.24 0.00 0.00 174.94 174.85 1oz3 s HIS 398 N -0.87 0.24 0.67 1.37 3.76 0.74 -4.97 115.29 116.22 1oz3 s HIS 398 Ca 0.11 -0.55 -0.13 0.00 -0.15 0.00 0.00 55.06 54.33 1oz3 s HIS 398 Cb -0.10 -0.17 0.00 0.00 1.11 0.00 0.00 32.58 33.42 1oz3 s HIS 398 CO 0.03 -0.34 1.07 -1.25 -0.85 0.00 0.00 174.74 173.40 1oz3 s PRO 399 N -2.53 2.91 0.06 8.40 0.04 -1.26 -0.49 135.00 142.13 1oz3 s PRO 399 Ca -0.06 1.16 -0.37 0.00 0.04 0.00 0.00 61.00 61.78 1oz3 s PRO 399 Cb -0.02 -1.98 -0.16 0.00 0.04 0.00 0.00 34.50 32.38 1oz3 s PRO 399 CO -0.04 -1.13 1.41 0.28 0.04 0.00 0.00 177.00 177.55 1oz3 n VAL 400 N -2.70 0.04 0.00 -0.36 0.31 -1.26 -1.05 118.33 113.31 1oz3 n VAL 400 Ca 0.09 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1oz3 n VAL 400 Cb 0.53 -0.95 0.00 0.00 -0.91 0.00 0.00 33.84 32.51 1oz3 n VAL 400 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1oz3 n GLY 401 N 2.80 1.37 0.08 2.92 0.00 -1.26 -4.96 105.19 106.13 1oz3 n GLY 401 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 1oz3 n GLY 401 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1oz3 h TRP 402 N 0.00 0.14 -0.49 1.61 7.01 -1.45 -1.33 115.95 121.45 1oz3 h TRP 402 Ca 0.00 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.04 1oz3 h TRP 402 Cb 0.00 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 26.97 1oz3 h TRP 402 CO 0.00 0.11 0.26 0.00 -2.79 0.00 0.00 178.44 176.02 1oz3 h GLN 404 N 0.52 1.13 0.00 0.00 4.15 -1.66 -0.10 115.11 119.15 1oz3 h GLN 404 Ca 0.21 -0.17 -0.13 0.00 0.77 0.00 0.00 58.65 59.33 1oz3 h GLN 404 Cb 0.08 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.55 1oz3 h GLN 404 CO -0.12 0.88 -0.60 0.87 -1.93 0.00 0.00 178.83 177.93 1oz3 h LYS 405 N 1.11 0.00 -0.01 1.69 1.57 -0.45 -3.10 116.57 117.38 1oz3 h LYS 405 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1oz3 h LYS 405 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1oz3 h LYS 405 CO -0.03 0.60 -0.27 1.04 -0.57 0.00 0.00 179.45 180.22 1oz3 n GLN 406 N -3.72 1.28 -3.29 3.15 1.13 0.37 -4.99 117.38 111.30 1oz3 n GLN 406 Ca -0.01 -0.92 -0.17 0.00 -1.94 0.00 0.00 57.00 53.96 1oz3 n GLN 406 Cb 0.62 -1.48 0.06 0.00 0.11 0.00 0.00 30.24 29.55 1oz3 n GLN 406 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1oz3 n GLY 407 N 1.35 -0.14 3.41 1.08 0.00 -0.21 -5.04 105.19 105.63 1oz3 n GLY 407 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1oz3 n GLY 407 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oz3 s LYS 408 N -5.93 1.95 0.37 1.61 1.02 -0.28 -5.04 119.74 113.43 1oz3 s LYS 408 Ca 0.42 -1.04 -0.26 0.00 0.02 0.00 0.00 55.97 55.10 1oz3 s LYS 408 Cb -0.18 -2.10 -0.09 0.00 -0.52 0.00 0.00 37.83 34.94 1oz3 s LYS 408 CO 0.53 0.53 1.17 -1.25 -0.92 0.00 0.00 175.35 175.40 1oz3 s PRO 409 N -1.36 4.23 -0.18 -1.68 0.04 -1.26 -4.36 135.00 130.42 1oz3 s PRO 409 Ca 0.13 1.86 -0.04 0.00 0.04 0.00 0.00 61.00 62.99 1oz3 s PRO 409 Cb -0.10 -2.83 -0.02 0.00 0.04 0.00 0.00 34.50 31.59 1oz3 s PRO 409 CO 0.04 -0.18 -0.02 -1.17 0.04 0.00 0.00 177.00 175.71 1oz3 s LEU 410 N -2.19 3.22 -0.31 -3.56 0.20 -1.26 -4.38 118.68 110.39 1oz3 s LEU 410 Ca 0.53 -0.19 -0.23 0.00 0.69 0.00 0.00 54.13 54.93 1oz3 s LEU 410 Cb -0.32 -1.80 0.00 0.00 -0.43 0.00 0.00 46.19 43.65 1oz3 s LEU 410 CO 0.40 0.10 0.78 -0.89 -0.29 0.00 0.00 176.35 176.46 1oz3 s THR 411 N 0.76 4.79 0.94 3.68 2.01 0.06 -4.99 115.64 122.89 1oz3 s THR 411 Ca -0.01 1.13 -0.12 0.00 0.31 0.00 0.00 61.69 63.00 1oz3 s THR 411 Cb -0.14 -4.15 0.16 0.00 0.01 0.00 0.00 72.50 68.37 1oz3 s THR 411 CO 0.02 -0.27 1.10 -2.16 -0.69 0.00 0.00 174.62 172.62 1oz3 s PRO 412 N 2.97 0.87 0.55 4.92 0.04 -1.26 -1.51 135.00 141.57 1oz3 s PRO 412 Ca 0.32 0.56 -0.21 0.00 0.04 0.00 0.00 61.00 61.71 1oz3 s PRO 412 Cb -0.14 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 1oz3 s PRO 412 CO 0.13 -2.44 1.10 -2.30 0.04 0.00 0.00 177.00 173.53 1oz3 n PRO 413 N -3.98 1.24 -0.44 0.56 -0.02 -1.26 -4.78 135.00 126.32 1oz3 n PRO 413 Ca 0.06 0.46 0.36 0.00 -2.02 0.00 0.00 63.50 62.36 1oz3 n PRO 413 Cb 0.57 -2.27 0.65 0.00 -0.02 0.00 0.00 33.50 32.42 1oz3 n PRO 413 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1oz3 h GLN 414 N 0.99 0.10 -0.40 -0.52 4.15 -1.79 -1.84 115.11 115.81 1oz3 h GLN 414 Ca -0.48 -0.01 -0.29 0.00 0.77 0.00 0.00 58.65 58.64 1oz3 h GLN 414 Cb 1.34 -0.02 -0.37 0.00 0.21 0.00 0.00 27.48 28.64 1oz3 h GLN 414 CO 0.54 0.07 -0.98 -3.47 -1.93 0.00 0.00 178.83 173.06 1oz3 n ASP 415 N -4.65 2.31 -4.75 -0.69 -0.08 -1.26 -5.05 116.55 102.38 1oz3 n ASP 415 Ca 0.36 -2.61 -0.41 0.00 -1.51 0.00 0.00 54.79 50.62 1oz3 n ASP 415 Cb 1.40 -0.42 -0.02 0.00 2.34 0.00 0.00 41.12 44.43 1oz3 n ASP 415 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1oz3 s TYR 416 N -3.05 2.75 0.12 -0.67 5.04 -0.69 -4.89 117.35 115.95 1oz3 s TYR 416 Ca 0.35 0.78 -0.27 0.00 -2.44 0.00 0.00 57.07 55.49 1oz3 s TYR 416 Cb 0.36 -4.07 -0.06 0.00 0.35 0.00 0.00 41.96 38.54 1oz3 s TYR 416 CO -0.05 -3.60 1.62 -1.00 -1.34 0.00 0.00 175.55 171.18 1oz3 h PRO 417 N 4.87 -0.45 -2.32 4.97 0.13 -1.97 -3.28 132.00 133.95 1oz3 h PRO 417 Ca -0.47 0.03 -0.64 0.00 -0.87 0.00 0.00 66.00 64.05 1oz3 h PRO 417 Cb 1.22 0.10 -0.39 0.00 0.13 0.00 0.00 31.00 32.07 1oz3 h PRO 417 CO 0.79 -0.30 -0.27 -0.40 -0.23 0.00 0.00 178.00 177.59 1oz3 n ASP 418 N -5.40 4.74 0.26 1.44 5.68 -1.26 -4.92 116.55 117.09 1oz3 n ASP 418 Ca -0.05 -3.56 0.10 0.00 -0.50 0.00 0.00 54.79 50.77 1oz3 n ASP 418 Cb 0.32 -0.75 0.70 0.00 -1.14 0.00 0.00 41.12 40.24 1oz3 n ASP 418 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1oz3 h PRO 419 N 3.88 0.00 -0.23 0.11 0.13 -1.96 0.44 132.00 134.37 1oz3 h PRO 419 Ca 0.21 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1oz3 h PRO 419 Cb 0.56 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.68 1oz3 h PRO 419 CO 0.93 0.05 0.13 -0.44 -0.23 0.00 0.00 178.00 178.44 1oz3 h ASP 420 N 0.00 0.27 -0.60 1.44 3.32 -1.93 -2.24 116.42 116.68 1oz3 h ASP 420 Ca -0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1oz3 h ASP 420 Cb 0.11 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1oz3 h ASP 420 CO 0.01 0.22 0.00 0.59 -1.72 0.00 0.00 179.24 178.33 1oz3 n ASN 421 N -4.48 4.22 -4.60 6.45 3.02 0.15 -4.97 115.26 115.07 1oz3 n ASN 421 Ca 0.00 -2.30 -0.47 0.00 -0.03 0.00 0.00 54.58 51.78 1oz3 n ASN 421 Cb 0.09 -0.50 -0.03 0.00 -0.61 0.00 0.00 39.78 38.73 1oz3 n ASN 421 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1oz3 n PHE 422 N 1.06 1.47 -3.81 3.10 7.35 -0.85 -4.97 117.46 120.82 1oz3 n PHE 422 Ca 0.23 0.63 -0.14 0.00 -0.76 0.00 0.00 57.45 57.42 1oz3 n PHE 422 Cb 0.75 -2.31 -0.15 0.00 0.35 0.00 0.00 39.48 38.12 1oz3 n PHE 422 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1oz3 h TRP 424 N 6.78 1.06 0.00 0.00 4.06 -1.99 -2.19 115.95 123.68 1oz3 h TRP 424 Ca -0.36 -0.20 -0.12 0.00 2.06 0.00 0.00 58.89 60.27 1oz3 h TRP 424 Cb 1.16 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 29.03 1oz3 h TRP 424 CO 0.46 0.98 -0.56 0.93 -3.56 0.00 0.00 178.44 176.69 1oz3 h GLU 425 N 0.87 0.00 -0.03 0.49 4.39 -1.99 -1.12 114.58 117.19 1oz3 h GLU 425 Ca 0.15 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 1oz3 h GLU 425 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1oz3 h GLU 425 CO 0.04 0.56 -0.14 -0.22 -1.16 0.00 0.00 179.01 178.09 1oz3 h LYS 426 N 0.00 0.15 -0.82 2.33 1.63 -1.99 -3.02 116.57 114.85 1oz3 h LYS 426 Ca -0.01 -0.12 0.16 0.00 -0.85 0.00 0.00 60.65 59.84 1oz3 h LYS 426 Cb 1.11 0.02 -0.10 0.00 -0.60 0.00 0.00 32.23 32.66 1oz3 h LYS 426 CO 0.07 0.77 0.36 -0.92 -3.45 0.00 0.00 179.45 176.29 1oz3 h TYR 427 N -0.43 0.62 -0.27 1.91 3.20 -1.26 0.28 116.97 121.01 1oz3 h TYR 427 Ca -0.01 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 1oz3 h TYR 427 Cb 0.80 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1oz3 h TYR 427 CO 0.14 0.06 -0.24 -0.07 -1.64 0.00 0.00 178.16 176.42 1oz3 h LEU 428 N 0.48 0.52 -0.25 2.82 3.38 -1.26 -1.55 115.31 119.45 1oz3 h LEU 428 Ca 0.47 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 58.06 1oz3 h LEU 428 Cb 0.75 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1oz3 h LEU 428 CO -0.43 0.76 -0.90 -0.08 0.09 0.00 0.00 178.44 177.88 1oz3 h GLU 429 N 0.46 0.18 0.00 1.13 4.81 -1.30 -0.86 114.58 119.00 1oz3 h GLU 429 Ca 0.07 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 1oz3 h GLU 429 Cb 0.67 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1oz3 h GLU 429 CO 0.05 0.96 -0.23 1.05 -0.73 0.00 0.00 179.01 180.11 1oz3 h GLU 430 N 0.09 0.00 -0.02 1.92 4.11 -0.62 -3.27 114.58 116.80 1oz3 h GLU 430 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1oz3 h GLU 430 Cb 1.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1oz3 h GLU 430 CO 0.14 0.23 -0.13 0.25 0.07 0.00 0.00 179.01 179.57 1oz3 n THR 431 N -3.68 0.00 -2.83 -1.06 -2.24 -0.61 -5.00 114.28 98.86 1oz3 n THR 431 Ca -0.01 -0.43 -0.22 0.00 -2.27 0.00 0.00 64.05 61.11 1oz3 n THR 431 Cb 0.35 1.27 0.02 0.00 -2.10 0.00 0.00 70.33 69.87 1oz3 n THR 431 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oz3 n GLY 432 N 0.99 -0.52 3.59 3.38 0.00 -0.39 -4.97 105.19 107.28 1oz3 n GLY 432 Ca 0.08 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1oz3 n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oz3 s ALA 433 N -3.14 3.08 0.28 4.61 0.00 -0.85 -5.05 121.76 120.70 1oz3 s ALA 433 Ca 0.21 -1.90 0.10 0.00 0.00 0.00 0.00 51.96 50.37 1oz3 s ALA 433 Cb -0.09 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 1oz3 s ALA 433 CO 0.26 0.15 -0.15 -1.54 0.00 0.00 0.00 175.76 174.47 1oz3 s SER 434 N -3.66 3.37 0.27 0.00 1.04 -1.26 -4.73 113.70 108.73 1oz3 s SER 434 Ca 0.33 -1.08 -0.29 0.00 0.48 0.00 0.00 55.95 55.39 1oz3 s SER 434 Cb -0.02 -0.27 -0.09 0.00 0.10 0.00 0.00 66.02 65.74 1oz3 s SER 434 CO 0.18 -0.09 1.01 0.00 0.98 0.00 0.00 173.24 175.33 1oz3 s ALA 435 N -2.66 3.35 0.11 5.32 0.00 -1.26 -1.10 121.76 125.51 1oz3 s ALA 435 Ca 0.29 0.73 -0.35 0.00 0.00 0.00 0.00 51.96 52.64 1oz3 s ALA 435 Cb -0.02 -3.26 -0.15 0.00 0.00 0.00 0.00 23.12 19.70 1oz3 s ALA 435 CO 0.14 0.03 1.51 0.28 0.00 0.00 0.00 175.76 177.72 1oz3 n VAL 436 N 1.23 0.04 -1.71 0.00 0.31 -0.18 -4.75 118.33 113.27 1oz3 n VAL 436 Ca -0.01 -0.01 -0.43 0.00 -0.01 0.00 0.00 64.34 63.88 1oz3 n VAL 436 Cb 0.46 -1.30 -0.02 0.00 -0.91 0.00 0.00 33.84 32.08 1oz3 n VAL 436 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1oz3 n PRO 437 N 3.31 2.33 -0.33 5.55 -0.02 -1.26 -4.67 135.00 139.91 1oz3 n PRO 437 Ca 0.18 0.83 0.15 0.00 -2.02 0.00 0.00 63.50 62.64 1oz3 n PRO 437 Cb 0.25 -2.53 0.34 0.00 -0.02 0.00 0.00 33.50 31.55 1oz3 n PRO 437 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1oz3 h THR 438 N 3.11 0.55 0.00 3.45 2.02 -1.95 -1.17 112.91 118.91 1oz3 h THR 438 Ca -0.46 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 1oz3 h THR 438 Cb 1.26 -0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1oz3 h THR 438 CO 0.75 0.10 -0.03 4.11 0.37 0.00 0.00 175.52 180.83 1oz3 h TRP 439 N 0.55 0.00 0.00 3.16 5.08 -2.01 -2.95 115.95 119.78 1oz3 h TRP 439 Ca 0.60 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.57 1oz3 h TRP 439 Cb 1.10 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.26 1oz3 h TRP 439 CO -0.05 0.03 0.00 0.00 -1.28 0.00 0.00 178.44 177.14 1oz3 h ALA 440 N 1.97 1.00 -1.97 0.11 0.00 -1.50 -3.42 119.26 115.46 1oz3 h ALA 440 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 1oz3 h ALA 440 Cb 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.77 1oz3 h ALA 440 CO 0.00 0.00 0.54 -0.06 0.00 0.00 0.00 179.25 179.73 1oz3 s PHE 441 N -3.59 2.96 -0.58 0.00 0.08 -1.12 -4.86 117.98 110.86 1oz3 s PHE 441 Ca 0.02 0.40 0.05 0.00 0.12 0.00 0.00 56.93 57.52 1oz3 s PHE 441 Cb 0.09 -3.86 0.19 0.00 -0.57 0.00 0.00 43.02 38.86 1oz3 s PHE 441 CO 0.50 -1.04 0.48 1.63 -0.10 0.00 0.00 175.22 176.69 1oz3 n LYS 442 N 7.02 1.32 -1.66 0.44 4.76 -0.89 -5.05 118.16 124.09 1oz3 n LYS 442 Ca 0.05 -4.00 -0.40 0.00 -2.87 0.00 0.00 58.31 51.10 1oz3 n LYS 442 Cb 0.48 -2.00 0.03 0.00 -1.84 0.00 0.00 35.03 31.70 1oz3 n LYS 442 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1oz3 n VAL 443 N 2.04 3.06 -2.12 -0.18 0.24 -1.26 -3.94 118.33 116.17 1oz3 n VAL 443 Ca 0.24 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.72 1oz3 n VAL 443 Cb 0.41 -1.36 0.00 0.00 -1.47 0.00 0.00 33.84 31.42 1oz3 n VAL 443 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1oz3 s ARG 444 N -2.42 3.46 0.68 7.34 1.70 -0.91 -4.99 118.95 123.81 1oz3 s ARG 444 Ca 0.67 1.14 -0.13 0.00 -0.47 0.00 0.00 55.73 56.94 1oz3 s ARG 444 Cb -0.48 -2.06 0.01 0.00 -0.57 0.00 0.00 34.95 31.85 1oz3 s ARG 444 CO 0.53 -0.69 1.09 -1.25 -1.08 0.00 0.00 175.30 173.90 1oz3 s PRO 445 N -4.10 2.81 0.47 3.89 0.04 -1.26 -4.97 135.00 131.88 1oz3 s PRO 445 Ca 0.62 1.23 -0.24 0.00 0.04 0.00 0.00 61.00 62.66 1oz3 s PRO 445 Cb -0.14 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.35 1oz3 s PRO 445 CO 0.36 -1.22 1.24 -2.30 0.04 0.00 0.00 177.00 175.12 1oz3 n PRO 446 N -2.70 1.72 -1.06 0.56 -0.02 -1.26 -4.96 135.00 127.27 1oz3 n PRO 446 Ca 0.09 0.62 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 1oz3 n PRO 446 Cb 0.53 -2.39 0.18 0.00 -0.02 0.00 0.00 33.50 31.80 1oz3 n PRO 446 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1oz3 s HIS 447 N -1.26 2.03 -0.22 6.00 -3.43 -0.81 -5.00 115.29 112.59 1oz3 s HIS 447 Ca 0.65 1.12 0.13 0.00 -0.80 0.00 0.00 55.06 56.17 1oz3 s HIS 447 Cb -0.48 -3.21 0.45 0.00 -1.43 0.00 0.00 32.58 27.92 1oz3 s HIS 447 CO 0.54 -2.91 1.35 0.43 -2.00 0.00 0.00 174.74 172.15 1oz3 n SER 448 N -4.22 2.66 -4.72 7.38 7.64 -1.26 -4.98 113.62 116.13 1oz3 n SER 448 Ca 0.06 -3.48 -0.42 0.00 1.01 0.00 0.00 58.87 56.04 1oz3 n SER 448 Cb 0.56 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 1oz3 n SER 448 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1oz3 s PHE 449 N -3.07 3.30 0.05 1.43 0.40 -1.26 -5.02 117.98 113.81 1oz3 s PHE 449 Ca 0.40 1.07 0.02 0.00 -0.60 0.00 0.00 56.93 57.83 1oz3 s PHE 449 Cb 0.36 -3.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.25 1oz3 s PHE 449 CO 0.01 -2.03 0.05 -0.51 0.70 0.00 0.00 175.22 173.44 1oz3 s LEU 450 N 1.00 3.71 0.33 -0.37 1.43 -1.26 -4.94 118.68 118.58 1oz3 s LEU 450 Ca 0.62 -0.01 -0.27 0.00 -1.03 0.00 0.00 54.13 53.45 1oz3 s LEU 450 Cb -0.35 -2.31 -0.13 0.00 0.03 0.00 0.00 46.19 43.43 1oz3 s LEU 450 CO 0.30 0.21 1.02 0.52 0.23 0.00 0.00 176.35 178.64 1oz3 n VAL 451 N 0.78 2.09 -1.01 -1.59 0.31 -1.26 -4.75 118.33 112.89 1oz3 n VAL 451 Ca -0.11 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 1oz3 n VAL 451 Cb 0.52 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 1oz3 n VAL 451 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1oz3 n ASN 452 N 1.00 -1.35 -3.77 4.52 3.02 -0.08 -4.98 115.26 113.63 1oz3 n ASN 452 Ca 0.09 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.54 1oz3 n ASN 452 Cb 0.34 -0.67 -0.07 0.00 -0.61 0.00 0.00 39.78 38.77 1oz3 n ASN 452 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1oz3 s LYS 454 N -2.42 0.89 0.11 3.52 1.02 0.18 -4.57 119.74 118.47 1oz3 s LYS 454 Ca 0.00 -0.75 -0.11 0.00 0.02 0.00 0.00 55.97 55.13 1oz3 s LYS 454 Cb 0.00 0.38 0.04 0.00 -0.52 0.00 0.00 37.83 37.73 1oz3 s LYS 454 CO 0.00 -0.30 0.55 1.47 -0.92 0.00 0.00 175.35 176.14 1oz3 n LEU 455 N 0.10 0.00 -4.47 3.17 -0.00 -0.54 -1.09 117.00 114.17 1oz3 n LEU 455 Ca -0.16 -0.88 -0.32 0.00 -0.00 0.00 0.00 56.01 54.65 1oz3 n LEU 455 Cb 0.62 1.61 -0.13 0.00 -0.00 0.00 0.00 43.42 45.52 1oz3 n LEU 455 CO 0.21 -0.29 -0.47 -1.61 -0.00 0.00 0.00 177.39 175.23 1oz3 s GLU 456 N -2.03 2.31 -0.08 1.47 2.02 -0.16 -0.39 118.70 121.85 1oz3 s GLU 456 Ca 0.12 -0.83 -0.08 0.00 0.02 0.00 0.00 54.97 54.21 1oz3 s GLU 456 Cb -0.02 -2.29 0.02 0.00 0.10 0.00 0.00 34.13 31.94 1oz3 s GLU 456 CO 0.03 0.58 0.22 0.00 0.02 0.00 0.00 175.26 176.12 1oz3 s ALA 457 N -0.83 -0.55 0.31 5.21 0.00 -0.82 -0.61 121.76 124.47 1oz3 s ALA 457 Ca 0.13 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.40 1oz3 s ALA 457 Cb -0.11 -0.34 -0.11 0.00 0.00 0.00 0.00 23.12 22.57 1oz3 s ALA 457 CO 0.03 -0.11 1.44 0.08 0.00 0.00 0.00 175.76 177.20 1oz3 s VAL 458 N 0.04 2.43 -0.16 0.00 1.01 -0.74 -1.51 120.40 121.47 1oz3 s VAL 458 Ca -0.01 0.39 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1oz3 s VAL 458 Cb -0.02 -3.25 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1oz3 s VAL 458 CO 0.00 0.08 1.29 -0.62 0.00 0.00 0.00 175.10 175.86 1oz3 s ASP 459 N 0.05 6.92 0.40 3.32 3.68 -0.25 -4.91 116.67 125.89 1oz3 s ASP 459 Ca 0.56 1.73 0.11 0.00 2.13 0.00 0.00 52.55 57.07 1oz3 s ASP 459 Cb -0.43 -2.54 0.85 0.00 -1.45 0.00 0.00 42.92 39.35 1oz3 s ASP 459 CO 0.51 -0.78 1.94 0.03 0.13 0.00 0.00 175.17 177.01 1oz3 h ARG 460 N 8.32 0.18 0.00 4.34 2.47 -1.93 -2.68 114.38 125.09 1oz3 h ARG 460 Ca -0.27 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1oz3 h ARG 460 Cb 1.11 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 1oz3 h ARG 460 CO 0.97 0.32 -0.44 0.00 0.56 0.00 0.00 179.97 181.38 1oz3 h ARG 461 N 0.17 0.00 -1.82 0.04 2.47 -1.98 -3.39 114.38 109.86 1oz3 h ARG 461 Ca 0.04 0.00 -0.42 0.00 -1.26 0.00 0.00 59.98 58.33 1oz3 h ARG 461 Cb 0.34 0.00 -0.30 0.00 -1.65 0.00 0.00 29.97 28.37 1oz3 h ARG 461 CO 0.02 0.00 -0.80 -1.71 0.56 0.00 0.00 179.97 178.04 1oz3 n ASN 462 N -2.64 -1.61 0.00 7.04 4.05 -1.11 -5.03 115.26 115.95 1oz3 n ASN 462 Ca 0.03 -2.59 0.02 0.00 0.45 0.00 0.00 54.58 52.48 1oz3 n ASN 462 Cb 0.50 0.33 0.08 0.00 1.23 0.00 0.00 39.78 41.92 1oz3 n ASN 462 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1oz3 n PRO 463 N 2.84 0.01 0.28 1.20 -0.02 -1.03 -1.14 135.00 137.13 1oz3 n PRO 463 Ca 0.25 0.40 0.16 0.00 -2.02 0.00 0.00 63.50 62.29 1oz3 n PRO 463 Cb 0.51 -1.50 0.76 0.00 -0.02 0.00 0.00 33.50 33.25 1oz3 n PRO 463 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oz3 h ALA 464 N 2.13 1.08 -2.95 3.55 0.00 -1.96 -3.45 119.26 117.65 1oz3 h ALA 464 Ca 0.00 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 54.18 1oz3 h ALA 464 Cb 0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.73 1oz3 h ALA 464 CO 0.00 0.09 -0.54 -0.51 0.00 0.00 0.00 179.25 178.28 1oz3 s LEU 465 N -6.56 4.03 -0.07 0.00 1.43 -0.29 -5.03 118.68 112.19 1oz3 s LEU 465 Ca -0.01 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1oz3 s LEU 465 Cb 0.11 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1oz3 s LEU 465 CO 0.55 0.39 -0.12 -0.63 0.23 0.00 0.00 176.35 176.77 1oz3 s ILE 466 N -0.90 3.27 0.20 -0.59 1.01 -1.26 -1.08 121.20 121.84 1oz3 s ILE 466 Ca 0.14 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 60.21 1oz3 s ILE 466 Cb -0.12 -2.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.99 1oz3 s ILE 466 CO 0.03 0.58 -0.08 -0.13 0.00 0.00 0.00 174.94 175.34 1oz3 s ARG 467 N -0.52 1.27 0.25 2.79 0.52 -0.57 -0.84 118.95 121.85 1oz3 s ARG 467 Ca 0.07 -1.60 -0.30 0.00 -0.52 0.00 0.00 55.73 53.39 1oz3 s ARG 467 Cb -0.12 -0.81 -0.09 0.00 0.52 0.00 0.00 34.95 34.45 1oz3 s ARG 467 CO 0.02 0.04 1.34 0.08 0.02 0.00 0.00 175.30 176.80 1oz3 s VAL 468 N -3.23 2.96 0.13 3.52 1.01 -0.97 -1.94 120.40 121.88 1oz3 s VAL 468 Ca 0.23 0.84 -0.01 0.00 0.00 0.00 0.00 61.98 63.04 1oz3 s VAL 468 Cb 0.03 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1oz3 s VAL 468 CO 0.06 0.15 0.05 0.00 0.00 0.00 0.00 175.10 175.35 1oz3 s ALA 469 N -0.26 0.86 0.03 5.51 0.00 0.48 -2.97 121.76 125.41 1oz3 s ALA 469 Ca 0.55 -1.46 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1oz3 s ALA 469 Cb -0.38 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1oz3 s ALA 469 CO 0.43 -0.47 -0.07 -1.12 0.00 0.00 0.00 175.76 174.53 1oz3 s SER 470 N -3.04 0.77 -0.42 0.00 0.01 0.01 -1.47 113.70 109.55 1oz3 s SER 470 Ca 0.23 -0.44 -0.29 0.00 1.31 0.00 0.00 55.95 56.76 1oz3 s SER 470 Cb 0.07 0.01 0.02 0.00 0.21 0.00 0.00 66.02 66.34 1oz3 s SER 470 CO 0.01 -0.14 1.15 -0.69 0.41 0.00 0.00 173.24 173.98 1oz3 s VAL 471 N -1.07 4.26 0.09 3.43 1.01 -1.26 -1.48 120.40 125.38 1oz3 s VAL 471 Ca -0.07 1.34 0.02 0.00 0.00 0.00 0.00 61.98 63.27 1oz3 s VAL 471 Cb -0.08 -4.50 -0.24 0.00 0.00 0.00 0.00 36.38 31.55 1oz3 s VAL 471 CO 0.00 -0.82 1.19 -0.08 0.00 0.00 0.00 175.10 175.39 1oz3 h GLU 472 N 9.04 0.12 -2.31 2.72 4.57 -0.37 -0.19 114.58 128.16 1oz3 h GLU 472 Ca -0.23 -0.20 0.04 0.00 -1.18 0.00 0.00 59.36 57.80 1oz3 h GLU 472 Cb 1.07 0.07 -0.16 0.00 -0.16 0.00 0.00 28.75 29.57 1oz3 h GLU 472 CO 1.10 1.07 0.38 0.34 -1.18 0.00 0.00 179.01 180.72 1oz3 s ASP 473 N -6.87 -0.47 0.05 1.04 3.68 -1.23 -4.85 116.67 108.03 1oz3 s ASP 473 Ca -0.02 0.18 0.05 0.00 2.13 0.00 0.00 52.55 54.89 1oz3 s ASP 473 Cb 0.09 0.45 -0.02 0.00 -1.45 0.00 0.00 42.92 41.98 1oz3 s ASP 473 CO 0.85 -0.67 -0.14 0.68 0.13 0.00 0.00 175.17 176.03 1oz3 s VAL 474 N -2.65 1.06 0.38 1.11 -7.23 -1.26 -0.27 120.40 111.54 1oz3 s VAL 474 Ca 0.00 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1oz3 s VAL 474 Cb -0.01 -0.99 -0.00 0.00 0.56 0.00 0.00 36.38 35.94 1oz3 s VAL 474 CO -0.05 -0.10 0.01 -0.62 -0.31 0.00 0.00 175.10 174.02 1oz3 n GLU 475 N 1.66 1.03 -0.32 4.82 1.02 0.14 -5.00 120.64 123.99 1oz3 n GLU 475 Ca -0.19 -2.81 -0.04 0.00 -0.02 0.00 0.00 57.16 54.10 1oz3 n GLU 475 Cb 0.55 0.82 0.08 0.00 -0.02 0.00 0.00 31.44 32.86 1oz3 n GLU 475 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1oz3 h ASP 476 N 0.96 1.13 -0.00 1.62 3.45 -2.00 -3.32 116.42 118.26 1oz3 h ASP 476 Ca -0.31 -0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.02 1oz3 h ASP 476 Cb 0.97 -0.29 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 1oz3 h ASP 476 CO 0.52 0.93 -0.01 1.41 -1.57 0.00 0.00 179.24 180.52 1oz3 n HIS 477 N -4.31 0.00 -4.24 4.55 8.25 -1.26 -1.93 115.22 116.28 1oz3 n HIS 477 Ca 0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.40 1oz3 n HIS 477 Cb 0.13 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.14 1oz3 n HIS 477 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1oz3 s ARG 478 N -0.31 1.04 0.12 -0.41 0.52 -1.25 -1.18 118.95 117.47 1oz3 s ARG 478 Ca 0.01 -1.41 0.07 0.00 -0.52 0.00 0.00 55.73 53.88 1oz3 s ARG 478 Cb 0.01 -0.63 -0.04 0.00 0.52 0.00 0.00 34.95 34.81 1oz3 s ARG 478 CO 0.02 0.08 -0.17 0.96 0.02 0.00 0.00 175.30 176.21 1oz3 s ILE 479 N -3.16 1.51 -0.31 1.52 -4.36 -0.39 -0.68 121.20 115.33 1oz3 s ILE 479 Ca 0.15 -1.64 -0.10 0.00 -0.26 0.00 0.00 60.65 58.79 1oz3 s ILE 479 Cb 0.01 -1.53 -0.01 0.00 1.25 0.00 0.00 42.46 42.18 1oz3 s ILE 479 CO 0.01 -0.26 0.17 -0.75 0.24 0.00 0.00 174.94 174.35 1oz3 s LYS 480 N -2.32 3.45 0.04 0.37 2.20 0.63 -0.71 119.74 123.39 1oz3 s LYS 480 Ca 0.08 -0.65 -0.21 0.00 -0.36 0.00 0.00 55.97 54.82 1oz3 s LYS 480 Cb -0.07 -3.61 -0.06 0.00 -1.51 0.00 0.00 37.83 32.58 1oz3 s LYS 480 CO 0.04 -0.39 0.63 0.42 -0.36 0.00 0.00 175.35 175.70 1oz3 s ILE 481 N 1.65 4.79 -0.10 5.43 -1.09 0.79 0.41 121.20 133.08 1oz3 s ILE 481 Ca 0.05 1.34 0.03 0.00 -2.23 0.00 0.00 60.65 59.84 1oz3 s ILE 481 Cb -0.17 -3.97 0.01 0.00 -1.58 0.00 0.00 42.46 36.75 1oz3 s ILE 481 CO 0.07 0.45 -0.19 -2.28 -1.23 0.00 0.00 174.94 171.77 1oz3 s HIS 482 N -0.49 2.15 -0.36 3.97 5.65 -0.55 -1.81 115.29 123.85 1oz3 s HIS 482 Ca 0.32 -0.92 -0.23 0.00 0.25 0.00 0.00 55.06 54.48 1oz3 s HIS 482 Cb -0.19 -1.49 0.01 0.00 -1.18 0.00 0.00 32.58 29.73 1oz3 s HIS 482 CO 0.19 -0.42 0.77 -0.06 -0.65 0.00 0.00 174.74 174.57 1oz3 s PHE 483 N 0.64 3.12 0.17 3.88 2.99 -1.26 -0.81 117.98 126.71 1oz3 s PHE 483 Ca -0.13 0.54 -0.33 0.00 0.00 0.00 0.00 56.93 57.00 1oz3 s PHE 483 Cb -0.16 -3.36 -0.15 0.00 0.00 0.00 0.00 43.02 39.35 1oz3 s PHE 483 CO 0.04 -0.71 1.38 -0.25 -0.00 0.00 0.00 175.22 175.67 1oz3 n ASP 484 N 6.37 2.30 0.00 1.36 9.92 -1.16 -0.99 116.55 134.34 1oz3 n ASP 484 Ca 0.03 1.12 0.00 0.00 -0.53 0.00 0.00 54.79 55.41 1oz3 n ASP 484 Cb 0.48 -1.33 0.00 0.00 -0.64 0.00 0.00 41.12 39.63 1oz3 n ASP 484 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1oz3 n GLY 485 N 2.51 2.25 3.95 0.44 0.00 -1.26 -2.59 105.19 110.49 1oz3 n GLY 485 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 1oz3 n GLY 485 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1oz3 s TRP 486 N -2.66 2.99 0.63 1.61 0.52 -0.17 -4.36 118.94 117.51 1oz3 s TRP 486 Ca 0.00 -0.28 -0.18 0.00 0.02 0.00 0.00 56.10 55.66 1oz3 s TRP 486 Cb 0.00 -1.99 -0.03 0.00 -1.15 0.00 0.00 33.47 30.30 1oz3 s TRP 486 CO 0.00 -0.01 1.18 0.45 0.02 0.00 0.00 176.95 178.59 1oz3 n SER 487 N -1.58 1.66 -0.00 2.95 2.88 -1.26 -4.87 113.62 113.39 1oz3 n SER 487 Ca 0.01 0.83 0.14 0.00 -1.33 0.00 0.00 58.87 58.52 1oz3 n SER 487 Cb 0.59 -1.50 0.60 0.00 -0.75 0.00 0.00 64.21 63.15 1oz3 n SER 487 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1oz3 n HIS 488 N -1.79 0.00 0.27 0.66 8.25 -1.26 -2.73 115.22 118.62 1oz3 n HIS 488 Ca 0.15 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.76 1oz3 n HIS 488 Cb 0.48 -0.45 0.70 0.00 1.12 0.00 0.00 29.99 31.84 1oz3 n HIS 488 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1oz3 h GLY 489 N 5.00 0.00 1.74 -1.41 0.00 -2.01 -1.91 103.07 104.48 1oz3 h GLY 489 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1oz3 h GLY 489 CO 0.00 0.00 -0.13 -1.72 0.00 0.00 0.00 176.54 174.69 1oz3 n TYR 490 N -3.27 0.01 -1.76 5.60 4.02 -1.10 -4.94 117.16 115.72 1oz3 n TYR 490 Ca -0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.49 1oz3 n TYR 490 Cb 0.30 -0.44 0.02 0.00 -0.02 0.00 0.00 39.34 39.19 1oz3 n TYR 490 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 1oz3 n ASP 491 N -1.51 3.32 -3.85 7.72 10.43 -0.72 -4.89 116.55 127.04 1oz3 n ASP 491 Ca 0.07 1.13 -0.11 0.00 2.57 0.00 0.00 54.79 58.44 1oz3 n ASP 491 Cb 0.34 -1.60 -0.09 0.00 1.84 0.00 0.00 41.12 41.61 1oz3 n ASP 491 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 1oz3 s PHE 492 N -1.19 0.04 0.05 1.24 -0.71 -0.75 -4.97 117.98 111.70 1oz3 s PHE 492 Ca 0.61 -0.19 -0.21 0.00 -1.04 0.00 0.00 56.93 56.10 1oz3 s PHE 492 Cb -0.45 -0.03 -0.06 0.00 -1.21 0.00 0.00 43.02 41.26 1oz3 s PHE 492 CO 0.58 -0.37 0.64 -1.58 -1.34 0.00 0.00 175.22 173.15 1oz3 s TRP 493 N -2.00 3.77 -0.04 3.49 0.52 -1.26 -0.15 118.94 123.27 1oz3 s TRP 493 Ca -0.10 1.33 -0.07 0.00 0.02 0.00 0.00 56.10 57.28 1oz3 s TRP 493 Cb -0.04 -2.62 0.01 0.00 -1.15 0.00 0.00 33.47 29.67 1oz3 s TRP 493 CO -0.01 0.45 0.17 -1.50 0.02 0.00 0.00 176.95 176.08 1oz3 s ILE 494 N -0.64 0.03 0.41 2.03 1.10 0.12 -4.97 121.20 119.28 1oz3 s ILE 494 Ca 0.32 -0.23 -0.27 0.00 -0.51 0.00 0.00 60.65 59.96 1oz3 s ILE 494 Cb -0.20 -0.32 -0.10 0.00 0.15 0.00 0.00 42.46 41.99 1oz3 s ILE 494 CO 0.20 -0.13 1.47 0.47 -2.11 0.00 0.00 174.94 174.84 1oz3 n ASP 495 N 2.45 3.63 0.26 4.50 8.00 -1.26 -1.27 116.55 132.87 1oz3 n ASP 495 Ca -0.16 1.18 0.14 0.00 0.71 0.00 0.00 54.79 56.66 1oz3 n ASP 495 Cb 0.58 -1.62 0.71 0.00 -0.02 0.00 0.00 41.12 40.76 1oz3 n ASP 495 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oz3 h ALA 496 N 2.68 1.16 -0.47 2.24 0.00 -1.48 -1.77 119.26 121.62 1oz3 h ALA 496 Ca -0.51 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1oz3 h ALA 496 Cb 1.25 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1oz3 h ALA 496 CO 0.63 0.15 0.00 -0.40 0.00 0.00 0.00 179.25 179.62 1oz3 n ASP 497 N -3.46 2.93 -4.77 0.00 3.85 -1.26 -4.85 116.55 108.99 1oz3 n ASP 497 Ca -0.01 -2.12 -0.40 0.00 -0.71 0.00 0.00 54.79 51.54 1oz3 n ASP 497 Cb 0.27 -0.39 -0.02 0.00 -1.35 0.00 0.00 41.12 39.63 1oz3 n ASP 497 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 1oz3 s HIS 498 N -1.50 3.11 -0.59 2.11 2.46 -0.67 -4.89 115.29 115.32 1oz3 s HIS 498 Ca 0.34 1.46 0.19 0.00 0.47 0.00 0.00 55.06 57.52 1oz3 s HIS 498 Cb 0.19 -3.61 0.85 0.00 -0.13 0.00 0.00 32.58 29.87 1oz3 s HIS 498 CO 0.20 -1.67 1.58 -2.30 -2.47 0.00 0.00 174.74 170.08 1oz3 n PRO 499 N 0.79 0.12 -0.89 2.88 -0.02 -1.26 -3.07 135.00 133.55 1oz3 n PRO 499 Ca 0.00 0.44 -0.02 0.00 -2.02 0.00 0.00 63.50 61.90 1oz3 n PRO 499 Cb 0.42 -1.77 0.30 0.00 -0.02 0.00 0.00 33.50 32.43 1oz3 n PRO 499 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1oz3 n ASP 500 N -2.01 4.57 -4.42 2.55 8.00 -1.26 -4.88 116.55 119.10 1oz3 n ASP 500 Ca 0.01 -3.21 -0.30 0.00 0.71 0.00 0.00 54.79 52.01 1oz3 n ASP 500 Cb 0.16 -0.70 -0.13 0.00 -0.02 0.00 0.00 41.12 40.43 1oz3 n ASP 500 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1oz3 s ILE 501 N -2.97 2.50 0.05 0.53 -4.36 -1.17 -1.79 121.20 113.98 1oz3 s ILE 501 Ca 0.52 -1.53 -0.14 0.00 -0.26 0.00 0.00 60.65 59.24 1oz3 s ILE 501 Cb 0.42 -2.09 0.02 0.00 1.25 0.00 0.00 42.46 42.06 1oz3 s ILE 501 CO 0.12 0.18 0.31 -1.00 0.24 0.00 0.00 174.94 174.79 1oz3 s HIS 502 N -1.02 -0.12 0.59 1.37 3.76 0.22 -4.85 115.29 115.23 1oz3 s HIS 502 Ca 0.15 -0.02 -0.18 0.00 -0.15 0.00 0.00 55.06 54.86 1oz3 s HIS 502 Cb -0.10 0.11 -0.04 0.00 1.11 0.00 0.00 32.58 33.66 1oz3 s HIS 502 CO 0.07 -0.51 1.16 -1.25 -0.85 0.00 0.00 174.74 173.35 1oz3 s PRO 503 N -2.58 3.08 0.15 8.40 0.04 -1.26 -0.99 135.00 141.84 1oz3 s PRO 503 Ca -0.05 1.65 -0.34 0.00 0.04 0.00 0.00 61.00 62.31 1oz3 s PRO 503 Cb -0.01 -1.96 -0.15 0.00 0.04 0.00 0.00 34.50 32.42 1oz3 s PRO 503 CO -0.03 -1.08 1.33 0.00 0.04 0.00 0.00 177.00 177.26 1oz3 n ALA 504 N -1.65 -0.16 0.00 8.56 0.00 -1.26 -2.01 120.51 123.99 1oz3 n ALA 504 Ca 0.12 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.03 1oz3 n ALA 504 Cb 0.51 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.82 1oz3 n ALA 504 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oz3 n GLY 505 N 2.43 0.85 0.28 0.00 0.00 -1.26 -4.96 105.19 102.53 1oz3 n GLY 505 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 1oz3 n GLY 505 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 1oz3 h TRP 506 N 0.00 0.92 -0.12 1.61 7.01 -1.76 0.16 115.95 123.76 1oz3 h TRP 506 Ca 0.00 -0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.97 1oz3 h TRP 506 Cb 0.00 -0.30 -0.00 0.00 -2.10 0.00 0.00 29.16 26.76 1oz3 h TRP 506 CO 0.00 0.65 0.01 0.00 -2.79 0.00 0.00 178.44 176.31 1oz3 h SER 508 N -0.03 0.64 1.11 0.00 0.87 -1.67 -0.84 113.55 113.62 1oz3 h SER 508 Ca 0.04 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1oz3 h SER 508 Cb 0.32 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1oz3 h SER 508 CO 0.00 0.48 -0.45 0.11 -0.53 0.00 0.00 176.83 176.45 1oz3 h LYS 509 N 0.74 0.00 -0.01 2.24 1.57 -0.86 -3.25 116.57 117.00 1oz3 h LYS 509 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1oz3 h LYS 509 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1oz3 h LYS 509 CO -0.04 0.45 -0.61 0.25 -0.57 0.00 0.00 179.45 178.93 1oz3 n THR 510 N -3.39 0.00 -1.50 -0.16 -2.24 -0.24 -4.90 114.28 101.86 1oz3 n THR 510 Ca 0.01 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1oz3 n THR 510 Cb 0.62 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1oz3 n THR 510 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oz3 n GLY 511 N 1.44 0.77 3.56 3.38 0.00 -0.58 -3.75 105.19 110.00 1oz3 n GLY 511 Ca 0.08 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 1oz3 n GLY 511 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1oz3 s HIS 512 N -2.00 2.88 0.40 1.61 5.04 -0.43 -3.51 115.29 119.29 1oz3 s HIS 512 Ca 0.00 -0.02 -0.25 0.00 -1.54 0.00 0.00 55.06 53.24 1oz3 s HIS 512 Cb 0.00 -1.69 -0.08 0.00 0.04 0.00 0.00 32.58 30.85 1oz3 s HIS 512 CO 0.00 0.30 1.19 -2.14 -2.34 0.00 0.00 174.74 171.75 1oz3 s PRO 513 N -0.79 4.04 -0.20 2.88 0.02 -1.26 -4.13 135.00 135.54 1oz3 s PRO 513 Ca 0.12 1.90 -0.08 0.00 0.02 0.00 0.00 61.00 62.96 1oz3 s PRO 513 Cb -0.11 -2.69 -0.04 0.00 0.02 0.00 0.00 34.50 31.68 1oz3 s PRO 513 CO 0.01 -0.35 0.08 -1.17 -0.33 0.00 0.00 177.00 175.24 1oz3 s LEU 514 N -2.48 3.85 -0.33 -5.54 2.96 -1.26 -4.36 118.68 111.51 1oz3 s LEU 514 Ca 0.57 0.06 -0.26 0.00 -0.22 0.00 0.00 54.13 54.28 1oz3 s LEU 514 Cb -0.32 -1.99 0.01 0.00 0.50 0.00 0.00 46.19 44.39 1oz3 s LEU 514 CO 0.41 0.13 0.91 -1.10 -1.32 0.00 0.00 176.35 175.37 1oz3 s GLN 515 N 0.64 3.94 0.83 1.98 -1.52 -0.02 -5.01 119.66 120.50 1oz3 s GLN 515 Ca 0.04 0.70 -0.11 0.00 -1.95 0.00 0.00 55.36 54.04 1oz3 s GLN 515 Cb -0.13 -3.76 0.09 0.00 -0.22 0.00 0.00 33.01 29.00 1oz3 s GLN 515 CO 0.01 -0.83 1.14 -1.25 -0.25 0.00 0.00 175.29 174.12 1oz3 s PRO 516 N 3.31 1.67 0.64 2.91 0.04 -1.26 -2.28 135.00 140.03 1oz3 s PRO 516 Ca 0.38 1.48 -0.17 0.00 0.04 0.00 0.00 61.00 62.72 1oz3 s PRO 516 Cb -0.13 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 1oz3 s PRO 516 CO 0.15 -2.13 0.92 -0.35 0.04 0.00 0.00 177.00 175.63 1oz3 n PRO 517 N -3.65 0.74 0.00 0.56 -0.04 -1.26 -4.83 135.00 126.52 1oz3 n PRO 517 Ca 0.11 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1oz3 n PRO 517 Cb 0.52 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1oz3 n PRO 517 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74