#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g58 n PRO 246 N 0.00 0.00 0.00 6.28 -0.02 -1.26 -3.73 135.00 136.27 3g58 n PRO 246 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.28 3g58 n PRO 246 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.34 3g58 n PRO 246 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3g58 h ARG 247 N 0.00 0.20 -0.28 -0.52 2.43 -2.02 -3.38 114.38 110.82 3g58 h ARG 247 Ca 0.00 -0.35 -0.02 0.00 -0.81 0.00 0.00 59.98 58.80 3g58 h ARG 247 Cb 0.00 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3g58 h ARG 247 CO 0.00 1.17 0.00 1.19 -1.51 0.00 0.00 179.97 180.82 3g58 n PHE 248 N -4.17 0.99 -0.53 2.20 3.72 -1.26 -4.94 117.46 113.47 3g58 n PHE 248 Ca -0.18 -0.94 0.00 0.00 -0.05 0.00 0.00 57.45 56.27 3g58 n PHE 248 Cb 0.78 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 3g58 n PHE 248 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3g58 n GLY 249 N -0.56 1.40 3.15 1.37 0.00 -1.24 -4.36 105.19 104.95 3g58 n GLY 249 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 3g58 n GLY 249 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g58 s VAL 250 N -3.33 -0.02 0.31 1.61 1.01 -1.26 -4.86 120.40 113.86 3g58 s VAL 250 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 3g58 s VAL 250 Cb 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 36.38 35.85 3g58 s VAL 250 CO 0.00 0.02 1.33 -0.54 0.00 0.00 0.00 175.10 175.91 3g58 s LYS 251 N 0.68 4.34 -0.26 2.72 3.01 -1.26 -4.70 119.74 124.28 3g58 s LYS 251 Ca -0.04 2.22 -0.13 0.00 -1.01 0.00 0.00 55.97 57.01 3g58 s LYS 251 Cb -0.06 -3.08 0.09 0.00 -1.01 0.00 0.00 37.83 33.77 3g58 s LYS 251 CO -0.04 -0.22 0.60 -0.08 0.51 0.00 0.00 175.35 176.12 3g58 s THR 252 N -0.93 -0.28 -0.47 2.17 -1.32 -1.26 -4.88 115.64 108.67 3g58 s THR 252 Ca 0.51 0.03 0.26 0.00 -1.21 0.00 0.00 61.69 61.28 3g58 s THR 252 Cb -0.40 -0.90 0.30 0.00 -1.51 0.00 0.00 72.50 69.99 3g58 s THR 252 CO 0.51 0.01 1.76 1.05 -2.21 0.00 0.00 174.62 175.75 3g58 h GLU 253 N 7.34 0.00 -1.56 7.08 4.11 -1.96 -3.15 114.58 126.44 3g58 h GLU 253 Ca -0.27 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.51 3g58 h GLU 253 Cb 1.18 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.06 3g58 h GLU 253 CO 0.17 0.00 -0.10 0.94 0.07 0.00 0.00 179.01 180.09 3g58 n GLN 254 N -2.52 3.20 0.22 1.06 7.27 -1.26 -4.82 117.38 120.53 3g58 n GLN 254 Ca 0.03 -4.11 0.07 0.00 0.07 0.00 0.00 57.00 53.06 3g58 n GLN 254 Cb 0.36 -2.26 0.51 0.00 2.41 0.00 0.00 30.24 31.26 3g58 n GLN 254 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 3g58 h GLU 255 N 2.64 0.00 -0.10 3.69 4.81 -1.91 -2.59 114.58 121.11 3g58 h GLU 255 Ca 0.41 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.63 3g58 h GLU 255 Cb 0.70 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 3g58 h GLU 255 CO 1.06 0.24 0.05 -0.44 -0.73 0.00 0.00 179.01 179.19 3g58 h ASP 256 N 0.00 0.13 -0.53 1.04 3.32 -1.90 -0.31 116.42 118.17 3g58 h ASP 256 Ca -0.00 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 56.84 3g58 h ASP 256 Cb 0.49 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 3g58 h ASP 256 CO 0.03 0.22 -0.01 0.58 -1.72 0.00 0.00 179.24 178.34 3g58 h VAL 257 N 0.04 1.26 -0.65 -1.35 2.07 -1.93 -2.53 116.25 113.16 3g58 h VAL 257 Ca 0.03 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.46 3g58 h VAL 257 Cb 0.12 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3g58 h VAL 257 CO -0.00 0.40 0.42 0.25 0.02 0.00 0.00 177.57 178.65 3g58 h LEU 258 N 0.81 0.70 -0.88 2.57 5.85 -1.39 -2.33 115.31 120.64 3g58 h LEU 258 Ca 0.15 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.92 3g58 h LEU 258 Cb 0.54 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 3g58 h LEU 258 CO 0.03 0.50 0.55 0.00 -0.34 0.00 0.00 178.44 179.18 3g58 h ALA 259 N 1.26 1.21 -0.58 1.25 0.00 -0.83 -1.01 119.26 120.56 3g58 h ALA 259 Ca 0.25 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3g58 h ALA 259 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3g58 h ALA 259 CO -0.08 0.30 -0.04 0.87 0.00 0.00 0.00 179.25 180.30 3g58 h LYS 260 N 1.00 1.04 -0.57 0.00 1.57 -1.02 -2.50 116.57 116.10 3g58 h LYS 260 Ca 0.38 -0.35 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 3g58 h LYS 260 Cb 0.17 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3g58 h LYS 260 CO -0.17 1.04 -0.08 0.93 -0.57 0.00 0.00 179.45 180.60 3g58 h GLU 261 N 0.94 1.05 0.00 3.15 4.39 -1.00 -3.03 114.58 120.08 3g58 h GLU 261 Ca 0.16 -0.38 0.00 0.00 0.34 0.00 0.00 59.36 59.48 3g58 h GLU 261 Cb 0.60 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3g58 h GLU 261 CO 0.04 1.07 0.00 1.28 -1.16 0.00 0.00 179.01 180.24 3g58 n LEU 262 N -4.15 0.00 0.30 1.33 4.77 -0.42 -1.55 117.00 117.28 3g58 n LEU 262 Ca 0.02 0.47 0.17 0.00 -0.03 0.00 0.00 56.01 56.64 3g58 n LEU 262 Cb 0.39 -0.47 0.95 0.00 -2.33 0.00 0.00 43.42 41.96 3g58 n LEU 262 CO 0.45 -0.17 1.10 -0.33 -1.33 0.00 0.00 177.39 177.11 3g58 h GLU 263 N 0.00 0.00 -0.55 3.23 5.08 -1.32 -2.66 114.58 118.36 3g58 h GLU 263 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g58 h GLU 263 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3g58 h GLU 263 CO 0.00 0.03 0.00 -0.25 -1.00 0.00 0.00 179.01 177.79 3g58 n ASP 264 N -3.54 2.87 0.25 1.42 8.00 -0.59 -4.51 116.55 120.45 3g58 n ASP 264 Ca -0.03 -2.18 0.11 0.00 0.71 0.00 0.00 54.79 53.41 3g58 n ASP 264 Cb 0.13 -0.40 0.73 0.00 -0.02 0.00 0.00 41.12 41.56 3g58 n ASP 264 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 3g58 h VAL 265 N 2.56 0.82 -0.30 2.53 3.04 -1.66 0.34 116.25 123.58 3g58 h VAL 265 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 3g58 h VAL 265 Cb 0.86 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 3g58 h VAL 265 CO 0.10 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.25 3g58 n ASN 266 N -4.29 1.86 -4.51 3.17 3.02 -1.26 -4.82 115.26 108.43 3g58 n ASN 266 Ca -0.02 -1.90 -0.33 0.00 -0.03 0.00 0.00 54.58 52.30 3g58 n ASN 266 Cb 0.13 -0.20 -0.12 0.00 -0.61 0.00 0.00 39.78 38.98 3g58 n ASN 266 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3g58 s LYS 267 N -1.61 2.84 0.06 3.52 1.02 0.11 -4.86 119.74 120.82 3g58 s LYS 267 Ca 0.27 -0.62 -0.31 0.00 0.02 0.00 0.00 55.97 55.34 3g58 s LYS 267 Cb 0.14 -2.55 -0.08 0.00 -0.52 0.00 0.00 37.83 34.82 3g58 s LYS 267 CO 0.20 0.55 1.67 -0.46 -0.92 0.00 0.00 175.35 176.38 3g58 s TRP 268 N -0.50 2.34 0.00 3.18 -0.11 -1.26 -2.95 118.94 119.63 3g58 s TRP 268 Ca 0.07 0.27 0.00 0.00 1.22 0.00 0.00 56.10 57.66 3g58 s TRP 268 Cb -0.12 -3.97 0.00 0.00 -1.50 0.00 0.00 33.47 27.88 3g58 s TRP 268 CO 0.02 -3.95 0.00 0.41 -4.62 0.00 0.00 176.95 168.81 3g58 n GLY 269 N 4.03 1.09 3.46 5.86 0.00 -1.26 -4.96 105.19 113.40 3g58 n GLY 269 Ca 0.16 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.73 3g58 n GLY 269 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g58 n LEU 270 N 0.00 -0.24 -4.02 0.99 7.94 -1.15 -4.81 117.00 115.70 3g58 n LEU 270 Ca 0.00 1.06 -0.42 0.00 -1.11 0.00 0.00 56.01 55.53 3g58 n LEU 270 Cb 0.00 -1.08 0.00 0.00 0.53 0.00 0.00 43.42 42.87 3g58 n LEU 270 CO 0.00 -2.64 2.43 1.41 -1.11 0.00 0.00 177.39 177.49 3g58 n HIS 271 N -0.26 3.92 0.01 1.96 8.25 -1.26 -4.77 115.22 123.07 3g58 n HIS 271 Ca 0.13 -2.93 -0.04 0.00 -0.26 0.00 0.00 57.72 54.62 3g58 n HIS 271 Cb 0.32 -2.58 0.17 0.00 1.12 0.00 0.00 29.99 29.03 3g58 n HIS 271 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3g58 h VAL 272 N 4.53 1.28 -0.40 1.59 3.04 -1.99 -0.90 116.25 123.41 3g58 h VAL 272 Ca 0.53 -1.38 -0.08 0.00 -1.01 0.00 0.00 66.70 64.75 3g58 h VAL 272 Cb 0.72 1.44 -0.01 0.00 -2.01 0.00 0.00 31.29 31.42 3g58 h VAL 272 CO 1.74 0.44 -0.07 -0.26 -1.01 0.00 0.00 177.57 178.41 3g58 h PHE 273 N 0.42 0.83 -0.27 3.17 0.04 -1.97 -0.49 116.94 118.67 3g58 h PHE 273 Ca 0.05 -0.17 0.04 0.00 2.80 0.00 0.00 57.97 60.70 3g58 h PHE 273 Cb 0.75 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.66 3g58 h PHE 273 CO 0.03 0.86 0.01 0.00 -0.60 0.00 0.00 178.31 178.61 3g58 h ARG 274 N 0.56 0.10 -0.89 1.51 2.47 -1.90 -1.85 114.38 114.37 3g58 h ARG 274 Ca 0.10 -0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.88 3g58 h ARG 274 Cb 0.58 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.81 3g58 h ARG 274 CO 0.03 0.06 0.56 0.82 0.56 0.00 0.00 179.97 182.01 3g58 h ILE 275 N 0.10 1.05 -0.42 2.04 2.04 -0.96 -0.87 117.51 120.49 3g58 h ILE 275 Ca 0.13 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.66 3g58 h ILE 275 Cb 0.15 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 3g58 h ILE 275 CO -0.20 0.19 0.23 0.00 0.00 0.00 0.00 178.15 178.37 3g58 h ALA 276 N 1.42 0.53 0.05 1.87 0.00 -0.73 -0.11 119.26 122.29 3g58 h ALA 276 Ca 0.39 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 3g58 h ALA 276 Cb 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3g58 h ALA 276 CO -0.17 -0.11 -0.02 0.93 0.00 0.00 0.00 179.25 179.87 3g58 h GLU 277 N 0.46 -0.07 0.00 0.00 5.08 -0.79 0.17 114.58 119.43 3g58 h GLU 277 Ca 0.17 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 3g58 h GLU 277 Cb 0.05 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3g58 h GLU 277 CO -0.10 0.10 -0.16 -0.07 -1.00 0.00 0.00 179.01 177.77 3g58 h LEU 278 N -0.22 0.00 -1.32 1.33 3.38 -1.01 -2.60 115.31 114.87 3g58 h LEU 278 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3g58 h LEU 278 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3g58 h LEU 278 CO 0.01 0.16 0.00 -1.54 0.09 0.00 0.00 178.44 177.17 3g58 n SER 279 N -3.71 1.96 -3.11 -0.43 3.41 -0.07 -4.85 113.62 106.83 3g58 n SER 279 Ca -0.02 -1.83 -0.17 0.00 -0.26 0.00 0.00 58.87 56.60 3g58 n SER 279 Cb 0.28 -0.17 0.07 0.00 -0.26 0.00 0.00 64.21 64.13 3g58 n SER 279 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g58 n GLY 280 N 1.16 -0.28 3.55 5.00 0.00 -0.98 -3.37 105.19 110.27 3g58 n GLY 280 Ca 0.15 0.05 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 3g58 n GLY 280 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g58 n ASN 281 N -2.69 -4.38 -2.16 1.61 5.15 0.57 -4.95 115.26 108.41 3g58 n ASN 281 Ca -0.17 -0.59 -0.20 0.00 -0.60 0.00 0.00 54.58 53.02 3g58 n ASN 281 Cb 0.62 -5.00 0.03 0.00 -0.53 0.00 0.00 39.78 34.89 3g58 n ASN 281 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3g58 n ARG 282 N -4.62 3.29 -0.30 1.20 5.12 -1.22 -4.90 116.66 115.24 3g58 n ARG 282 Ca -0.12 -4.05 -0.01 0.00 -1.93 0.00 0.00 57.85 51.74 3g58 n ARG 282 Cb 0.61 -2.16 0.12 0.00 -1.16 0.00 0.00 32.46 29.86 3g58 n ARG 282 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3g58 h PRO 283 N 2.25 0.95 -0.40 5.56 0.13 -1.82 -1.09 132.00 137.59 3g58 h PRO 283 Ca 0.28 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.32 3g58 h PRO 283 Cb 1.49 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 3g58 h PRO 283 CO 0.66 0.63 0.12 1.25 -0.23 0.00 0.00 178.00 180.43 3g58 h LEU 284 N 0.98 0.58 -0.02 1.56 5.85 -1.91 -0.96 115.31 121.39 3g58 h LEU 284 Ca 0.34 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 3g58 h LEU 284 Cb 0.08 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 3g58 h LEU 284 CO -0.14 0.63 0.01 0.74 -0.34 0.00 0.00 178.44 179.34 3g58 h THR 285 N 0.50 1.18 -0.34 1.05 2.02 -1.78 -1.04 112.91 114.49 3g58 h THR 285 Ca 0.13 -0.53 -0.14 0.00 0.77 0.00 0.00 66.41 66.63 3g58 h THR 285 Cb 0.26 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 3g58 h THR 285 CO -0.00 0.14 -0.35 -0.37 0.37 0.00 0.00 175.52 175.30 3g58 h VAL 286 N -0.18 1.28 -0.20 3.16 -1.51 -1.19 -0.94 116.25 116.66 3g58 h VAL 286 Ca 0.01 -1.53 -0.01 0.00 -1.23 0.00 0.00 66.70 63.94 3g58 h VAL 286 Cb 0.23 1.48 -0.01 0.00 -2.13 0.00 0.00 31.29 30.86 3g58 h VAL 286 CO -0.00 0.50 0.07 0.40 -1.23 0.00 0.00 177.57 177.32 3g58 h ILE 287 N 0.63 1.17 -0.39 7.19 2.04 -1.20 -0.52 117.51 126.43 3g58 h ILE 287 Ca 0.05 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3g58 h ILE 287 Cb 0.94 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 3g58 h ILE 287 CO 0.09 0.17 0.26 0.24 0.00 0.00 0.00 178.15 178.91 3g58 h MET 288 N 0.17 0.51 -0.24 2.37 2.86 -1.18 -1.01 114.93 118.41 3g58 h MET 288 Ca 0.07 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.71 3g58 h MET 288 Cb 0.20 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.71 3g58 h MET 288 CO -0.00 0.34 0.05 1.25 1.06 0.00 0.00 176.91 179.60 3g58 h HIS 289 N 0.53 0.08 -0.44 -0.22 -0.00 -1.08 0.11 115.15 114.13 3g58 h HIS 289 Ca 0.14 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.56 3g58 h HIS 289 Cb -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.31 3g58 h HIS 289 CO -0.05 0.02 0.21 1.15 -0.00 0.00 0.00 177.93 179.27 3g58 h THR 290 N 0.14 0.96 -0.50 6.26 2.02 -0.85 -1.32 112.91 119.62 3g58 h THR 290 Ca 0.11 -0.15 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 3g58 h THR 290 Cb 0.11 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3g58 h THR 290 CO -0.15 0.08 -0.01 0.40 0.37 0.00 0.00 175.52 176.21 3g58 h ILE 291 N 0.43 1.26 -0.91 3.11 2.04 -0.71 -0.44 117.51 122.29 3g58 h ILE 291 Ca 0.19 -1.10 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 3g58 h ILE 291 Cb 0.10 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3g58 h ILE 291 CO -0.14 0.39 0.55 -0.26 0.00 0.00 0.00 178.15 178.69 3g58 h PHE 292 N 0.75 1.19 -0.05 1.37 -1.00 -0.45 -0.36 116.94 118.39 3g58 h PHE 292 Ca 0.14 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 3g58 h PHE 292 Cb 0.54 -0.39 -0.00 0.00 3.61 0.00 0.00 35.95 39.70 3g58 h PHE 292 CO 0.04 0.78 -0.01 1.96 -1.61 0.00 0.00 178.31 179.47 3g58 h GLN 293 N 1.25 0.10 -0.65 1.51 1.08 -1.02 -0.12 115.11 117.26 3g58 h GLN 293 Ca 0.33 -0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.62 3g58 h GLN 293 Cb -0.06 -0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.26 3g58 h GLN 293 CO -0.06 0.45 0.14 1.49 -0.95 0.00 0.00 178.83 179.90 3g58 h GLU 294 N -0.25 0.26 -0.01 1.46 4.57 -0.86 -1.05 114.58 118.69 3g58 h GLU 294 Ca 0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3g58 h GLU 294 Cb 0.41 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3g58 h GLU 294 CO 0.01 0.17 -0.06 0.54 -1.18 0.00 0.00 179.01 178.48 3g58 n ARG 295 N -5.14 1.40 -2.51 1.92 1.74 -0.16 -4.94 116.66 108.96 3g58 n ARG 295 Ca 0.11 -0.78 -0.16 0.00 -0.77 0.00 0.00 57.85 56.26 3g58 n ARG 295 Cb 0.37 -1.48 0.01 0.00 -1.02 0.00 0.00 32.46 30.33 3g58 n ARG 295 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3g58 n ASP 296 N -0.12 -4.69 0.16 0.55 2.03 -0.40 -4.90 116.55 109.18 3g58 n ASP 296 Ca 0.18 -0.10 0.04 0.00 0.52 0.00 0.00 54.79 55.43 3g58 n ASP 296 Cb 0.34 -3.70 0.16 0.00 -0.72 0.00 0.00 41.12 37.20 3g58 n ASP 296 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3g58 h LEU 297 N -0.44 0.00 -0.15 -2.67 3.38 -1.32 -1.94 115.31 112.17 3g58 h LEU 297 Ca -0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 3g58 h LEU 297 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 3g58 h LEU 297 CO 0.42 0.44 0.07 -0.07 0.09 0.00 0.00 178.44 179.39 3g58 h LEU 298 N 0.00 0.20 -0.15 1.67 4.07 -1.87 -1.95 115.31 117.28 3g58 h LEU 298 Ca -0.00 -0.13 -0.03 0.00 0.08 0.00 0.00 57.88 57.79 3g58 h LEU 298 Cb 1.18 -0.05 -0.00 0.00 1.08 0.00 0.00 40.66 42.86 3g58 h LEU 298 CO 0.06 0.27 -0.04 0.11 -1.08 0.00 0.00 178.44 177.76 3g58 h LYS 299 N 0.11 0.28 -0.92 1.13 1.57 -1.84 0.35 116.57 117.25 3g58 h LYS 299 Ca 0.05 -0.11 0.09 0.00 -1.87 0.00 0.00 60.65 58.81 3g58 h LYS 299 Cb 0.13 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.35 3g58 h LYS 299 CO -0.01 0.57 0.57 1.15 -0.57 0.00 0.00 179.45 181.16 3g58 h THR 300 N -0.02 0.99 -0.27 -0.16 2.02 -1.35 -2.79 112.91 111.32 3g58 h THR 300 Ca 0.04 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3g58 h THR 300 Cb 0.47 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3g58 h THR 300 CO 0.01 0.18 0.00 0.49 0.37 0.00 0.00 175.52 176.57 3g58 n PHE 301 N -4.63 0.59 -3.83 3.16 3.72 -0.74 -4.98 117.46 110.76 3g58 n PHE 301 Ca 0.15 -0.67 -0.26 0.00 -0.05 0.00 0.00 57.45 56.62 3g58 n PHE 301 Cb 0.25 -0.14 0.01 0.00 -0.94 0.00 0.00 39.48 38.65 3g58 n PHE 301 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3g58 n LYS 302 N -0.03 -3.07 -3.39 -1.08 5.02 -0.06 -4.49 118.16 111.06 3g58 n LYS 302 Ca 0.15 0.46 -0.39 0.00 -2.02 0.00 0.00 58.31 56.51 3g58 n LYS 302 Cb 0.60 -4.55 -0.09 0.00 -0.02 0.00 0.00 35.03 30.97 3g58 n LYS 302 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3g58 s ILE 303 N -3.77 5.17 0.38 -0.18 1.01 -0.19 -4.60 121.20 119.02 3g58 s ILE 303 Ca 0.13 0.45 -0.28 0.00 0.00 0.00 0.00 60.65 60.95 3g58 s ILE 303 Cb -0.05 -3.73 -0.10 0.00 0.01 0.00 0.00 42.46 38.60 3g58 s ILE 303 CO 0.86 0.10 1.42 -2.84 0.00 0.00 0.00 174.94 174.48 3g58 s PRO 304 N 2.07 4.08 0.19 2.79 0.02 -1.26 -4.79 135.00 138.10 3g58 s PRO 304 Ca 0.14 2.44 -0.10 0.00 0.02 0.00 0.00 61.00 63.50 3g58 s PRO 304 Cb -0.16 -2.92 0.10 0.00 0.02 0.00 0.00 34.50 31.54 3g58 s PRO 304 CO 0.10 -0.50 1.73 -0.24 -0.33 0.00 0.00 177.00 177.77 3g58 h VAL 305 N 2.84 1.25 -0.81 3.83 3.04 -1.97 -0.43 116.25 124.00 3g58 h VAL 305 Ca -0.50 -0.81 -0.01 0.00 -1.01 0.00 0.00 66.70 64.37 3g58 h VAL 305 Cb 1.24 0.51 -0.04 0.00 -2.01 0.00 0.00 31.29 30.99 3g58 h VAL 305 CO 0.64 0.32 0.47 -2.24 -1.01 0.00 0.00 177.57 175.74 3g58 h ASP 306 N 0.97 0.98 -0.19 3.17 -0.00 -1.97 -1.16 116.42 118.20 3g58 h ASP 306 Ca 0.22 -0.07 -0.03 0.00 -0.00 0.00 0.00 57.03 57.16 3g58 h ASP 306 Cb 0.25 -0.25 -0.01 0.00 -0.00 0.00 0.00 39.33 39.33 3g58 h ASP 306 CO -0.01 0.76 0.02 0.74 -0.00 0.00 0.00 179.24 180.75 3g58 h THR 307 N 1.12 1.24 -0.22 1.15 2.02 -1.62 -1.12 112.91 115.47 3g58 h THR 307 Ca 0.29 -0.80 0.05 0.00 0.77 0.00 0.00 66.41 66.72 3g58 h THR 307 Cb -0.02 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 3g58 h THR 307 CO -0.05 0.24 -0.07 0.25 0.37 0.00 0.00 175.52 176.26 3g58 h LEU 308 N 0.11 -0.25 -0.57 2.58 5.85 -0.87 -0.96 115.31 121.20 3g58 h LEU 308 Ca 0.06 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.76 3g58 h LEU 308 Cb 0.35 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3g58 h LEU 308 CO 0.01 -0.09 -0.00 0.40 -0.34 0.00 0.00 178.44 178.41 3g58 h ILE 309 N -0.02 1.27 -0.47 4.05 2.04 -1.13 -0.90 117.51 122.35 3g58 h ILE 309 Ca 0.11 -1.13 -0.05 0.00 1.00 0.00 0.00 64.86 64.78 3g58 h ILE 309 Cb 0.19 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3g58 h ILE 309 CO -0.24 0.41 0.09 0.74 0.00 0.00 0.00 178.15 179.14 3g58 h THR 310 N 0.89 1.24 -0.27 -0.27 2.02 -0.97 -0.52 112.91 115.05 3g58 h THR 310 Ca 0.16 -0.88 0.01 0.00 0.77 0.00 0.00 66.41 66.47 3g58 h THR 310 Cb 0.55 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 3g58 h THR 310 CO 0.03 0.31 0.16 0.22 0.37 0.00 0.00 175.52 176.61 3g58 h TYR 311 N 0.64 0.30 -0.32 3.16 3.20 -0.96 -1.20 116.97 121.79 3g58 h TYR 311 Ca 0.14 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.01 3g58 h TYR 311 Cb 0.37 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3g58 h TYR 311 CO 0.03 0.18 0.15 -0.07 -1.64 0.00 0.00 178.16 176.81 3g58 h LEU 312 N 0.33 0.43 -1.03 2.82 3.38 -0.81 0.37 115.31 120.79 3g58 h LEU 312 Ca 0.10 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3g58 h LEU 312 Cb -0.01 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 3g58 h LEU 312 CO -0.05 0.44 0.65 0.24 0.09 0.00 0.00 178.44 179.81 3g58 h MET 313 N 0.38 1.24 0.04 1.13 2.86 -1.03 0.12 114.93 119.67 3g58 h MET 313 Ca 0.11 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3g58 h MET 313 Cb 0.13 -0.28 0.00 0.00 0.06 0.00 0.00 31.60 31.51 3g58 h MET 313 CO -0.01 0.82 -0.02 1.15 1.06 0.00 0.00 176.91 179.91 3g58 h THR 314 N 1.28 1.20 -0.22 2.22 2.02 -0.48 -0.63 112.91 118.30 3g58 h THR 314 Ca 0.39 -0.77 0.05 0.00 0.77 0.00 0.00 66.41 66.85 3g58 h THR 314 Cb -0.04 1.72 -0.06 0.00 -1.74 0.00 0.00 68.15 68.03 3g58 h THR 314 CO -0.11 0.20 -0.14 0.25 0.37 0.00 0.00 175.52 176.08 3g58 h LEU 315 N -0.39 -0.47 -1.07 2.58 5.85 -0.06 -2.21 115.31 119.54 3g58 h LEU 315 Ca -0.00 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3g58 h LEU 315 Cb 0.36 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3g58 h LEU 315 CO 0.01 -0.18 0.63 -0.08 -0.34 0.00 0.00 178.44 178.48 3g58 h GLU 316 N -0.13 1.19 0.00 1.25 4.81 -0.71 -1.38 114.58 119.61 3g58 h GLU 316 Ca 0.13 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3g58 h GLU 316 Cb 0.32 -0.27 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 3g58 h GLU 316 CO -0.30 0.79 -0.04 -0.44 -0.73 0.00 0.00 179.01 178.29 3g58 h ASP 317 N 1.23 0.00 -0.18 1.04 3.45 -0.51 -1.96 116.42 119.49 3g58 h ASP 317 Ca 0.37 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.83 3g58 h ASP 317 Cb -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.73 3g58 h ASP 317 CO -0.10 0.04 0.00 1.41 -1.57 0.00 0.00 179.24 179.01 3g58 n HIS 318 N -3.36 0.22 -3.03 4.55 8.25 -0.53 -4.75 115.22 116.58 3g58 n HIS 318 Ca -0.02 -0.11 -0.37 0.00 -0.26 0.00 0.00 57.72 56.96 3g58 n HIS 318 Cb 0.17 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.22 3g58 n HIS 318 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3g58 s TYR 319 N -1.78 3.73 -0.23 4.41 1.51 -0.74 -0.98 117.35 123.28 3g58 s TYR 319 Ca 0.34 1.51 -0.25 0.00 -1.01 0.00 0.00 57.07 57.66 3g58 s TYR 319 Cb 0.19 -2.70 -0.01 0.00 -0.11 0.00 0.00 41.96 39.34 3g58 s TYR 319 CO 0.29 0.38 0.84 -1.01 -1.11 0.00 0.00 175.55 174.94 3g58 s HIS 320 N -1.42 3.33 0.47 2.71 3.76 -1.26 -4.82 115.29 118.06 3g58 s HIS 320 Ca 0.41 1.17 0.14 0.00 -0.15 0.00 0.00 55.06 56.64 3g58 s HIS 320 Cb -0.19 -3.06 1.10 0.00 1.11 0.00 0.00 32.58 31.54 3g58 s HIS 320 CO 0.23 -0.38 2.06 0.00 -0.85 0.00 0.00 174.74 175.80 3g58 h ALA 321 N 7.62 1.83 -0.04 -1.40 0.00 -1.94 -2.54 119.26 122.78 3g58 h ALA 321 Ca -0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3g58 h ALA 321 Cb 1.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3g58 h ALA 321 CO 0.88 0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.86 3g58 n ASP 322 N -4.43 0.47 -4.57 0.00 5.75 -1.26 -4.78 116.55 107.72 3g58 n ASP 322 Ca -0.02 -1.43 -0.36 0.00 -0.01 0.00 0.00 54.79 52.97 3g58 n ASP 322 Cb 0.16 -0.02 -0.11 0.00 -1.03 0.00 0.00 41.12 40.12 3g58 n ASP 322 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3g58 s VAL 323 N -1.95 4.80 0.19 2.12 1.01 -0.96 -5.00 120.40 120.61 3g58 s VAL 323 Ca 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 3g58 s VAL 323 Cb 0.16 -3.22 -0.07 0.00 0.00 0.00 0.00 36.38 33.24 3g58 s VAL 323 CO 0.25 0.38 1.48 0.00 0.00 0.00 0.00 175.10 177.21 3g58 h ALA 324 N 7.53 0.68 0.00 5.51 0.00 -1.86 -3.40 119.26 127.72 3g58 h ALA 324 Ca -0.37 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 3g58 h ALA 324 Cb 1.17 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3g58 h ALA 324 CO 0.63 0.73 -0.64 0.98 0.00 0.00 0.00 179.25 180.96 3g58 n TYR 325 N -3.89 0.00 -1.65 0.00 9.36 -1.26 -4.77 117.16 114.96 3g58 n TYR 325 Ca -0.04 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.76 3g58 n TYR 325 Cb 0.65 -0.30 -0.01 0.00 -0.63 0.00 0.00 39.34 39.05 3g58 n TYR 325 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3g58 n HIS 326 N -4.03 3.24 -4.05 2.98 8.25 -1.26 -4.21 115.22 116.13 3g58 n HIS 326 Ca -0.09 -2.72 -0.03 0.00 -0.26 0.00 0.00 57.72 54.62 3g58 n HIS 326 Cb 0.32 -2.39 -0.01 0.00 1.12 0.00 0.00 29.99 29.03 3g58 n HIS 326 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3g58 n ASN 327 N 6.56 0.66 0.24 0.41 0.23 -1.26 -4.56 115.26 117.55 3g58 n ASN 327 Ca 0.51 -1.27 0.07 0.00 -0.53 0.00 0.00 54.58 53.37 3g58 n ASN 327 Cb 0.40 0.15 0.58 0.00 -2.08 0.00 0.00 39.78 38.83 3g58 n ASN 327 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3g58 h ASN 328 N 0.21 0.00 -0.17 0.53 -1.07 -1.87 -1.86 115.58 111.35 3g58 h ASN 328 Ca -0.04 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 56.27 3g58 h ASN 328 Cb 0.15 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.39 3g58 h ASN 328 CO 0.06 0.10 -0.14 0.40 0.07 0.00 0.00 177.43 177.91 3g58 h ILE 329 N 0.00 1.33 -0.88 6.14 2.04 -1.97 -0.11 117.51 124.07 3g58 h ILE 329 Ca -0.00 -1.27 0.05 0.00 1.00 0.00 0.00 64.86 64.64 3g58 h ILE 329 Cb 0.17 1.79 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 3g58 h ILE 329 CO 0.01 0.38 0.55 -0.74 0.00 0.00 0.00 178.15 178.35 3g58 h HIS 330 N 0.05 1.03 -0.10 1.37 2.76 -1.66 -0.70 115.15 117.91 3g58 h HIS 330 Ca 0.03 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 3g58 h HIS 330 Cb 0.66 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 29.28 3g58 h HIS 330 CO 0.08 0.55 0.05 0.00 -1.30 0.00 0.00 177.93 177.31 3g58 h ALA 331 N 1.39 0.13 -1.00 5.26 0.00 -1.11 -0.89 119.26 123.04 3g58 h ALA 331 Ca 0.37 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.27 3g58 h ALA 331 Cb 0.11 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3g58 h ALA 331 CO -0.15 -0.33 0.65 0.00 0.00 0.00 0.00 179.25 179.42 3g58 h ALA 332 N 0.95 1.36 -0.45 0.00 0.00 -0.77 -0.62 119.26 119.75 3g58 h ALA 332 Ca 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3g58 h ALA 332 Cb 0.08 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3g58 h ALA 332 CO -0.01 0.52 0.12 0.22 0.00 0.00 0.00 179.25 180.11 3g58 h ASP 333 N 1.24 0.67 -0.52 0.00 3.58 -0.84 -0.87 116.42 119.68 3g58 h ASP 333 Ca 0.41 -0.22 -0.12 0.00 0.42 0.00 0.00 57.03 57.51 3g58 h ASP 333 Cb 0.05 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.91 3g58 h ASP 333 CO -0.14 0.72 -0.15 0.58 -2.88 0.00 0.00 179.24 177.37 3g58 h VAL 334 N 0.59 1.27 0.27 2.25 2.07 -0.65 0.02 116.25 122.06 3g58 h VAL 334 Ca 0.14 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.36 3g58 h VAL 334 Cb 0.30 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 3g58 h VAL 334 CO -0.00 0.46 -0.31 0.58 0.02 0.00 0.00 177.57 178.32 3g58 h VAL 335 N 0.88 0.35 -0.41 2.57 2.07 -0.98 0.07 116.25 120.79 3g58 h VAL 335 Ca 0.13 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.58 3g58 h VAL 335 Cb 0.72 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3g58 h VAL 335 CO 0.06 0.00 -0.01 -0.61 0.02 0.00 0.00 177.57 177.03 3g58 h GLN 336 N -0.62 0.67 -0.38 1.57 -0.00 -1.05 -0.22 115.11 115.08 3g58 h GLN 336 Ca -0.00 -0.17 -0.07 0.00 -0.00 0.00 0.00 58.65 58.41 3g58 h GLN 336 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.97 3g58 h GLN 336 CO -0.09 0.69 -0.02 0.77 0.00 0.00 0.00 178.83 180.18 3g58 h SER 337 N 0.63 0.67 -0.62 -0.69 0.02 -0.82 -1.92 113.55 110.82 3g58 h SER 337 Ca 0.13 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 60.79 3g58 h SER 337 Cb 0.41 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 3g58 h SER 337 CO 0.02 0.83 0.37 0.74 -1.14 0.00 0.00 176.83 177.66 3g58 h THR 338 N 0.50 1.05 -0.88 -2.27 2.02 -0.58 -1.15 112.91 111.60 3g58 h THR 338 Ca 0.10 -0.25 0.11 0.00 0.77 0.00 0.00 66.41 67.15 3g58 h THR 338 Cb 0.50 0.26 -0.08 0.00 -1.74 0.00 0.00 68.15 67.09 3g58 h THR 338 CO 0.02 0.13 0.51 -0.74 0.37 0.00 0.00 175.52 175.82 3g58 h HIS 339 N 0.73 0.92 -0.06 3.16 -0.00 -0.84 0.15 115.15 119.21 3g58 h HIS 339 Ca 0.26 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.63 3g58 h HIS 339 Cb 0.05 -0.28 -0.00 0.00 -0.00 0.00 0.00 27.41 27.18 3g58 h HIS 339 CO -0.06 0.34 -0.07 0.28 -0.00 0.00 0.00 177.93 178.42 3g58 h VAL 340 N 0.81 1.39 -0.87 5.26 2.07 -0.96 -2.97 116.25 120.98 3g58 h VAL 340 Ca 0.44 -1.28 0.10 0.00 0.82 0.00 0.00 66.70 66.78 3g58 h VAL 340 Cb 0.47 2.12 -0.08 0.00 -1.52 0.00 0.00 31.29 32.28 3g58 h VAL 340 CO -0.28 0.35 0.51 -0.07 0.02 0.00 0.00 177.57 178.10 3g58 h LEU 341 N -0.31 0.73 -1.89 2.57 3.38 -0.89 -1.13 115.31 117.77 3g58 h LEU 341 Ca 0.01 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3g58 h LEU 341 Cb 0.61 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3g58 h LEU 341 CO 0.02 0.41 -0.07 -0.07 0.09 0.00 0.00 178.44 178.81 3g58 h LEU 342 N 0.84 0.00 -1.07 1.67 3.38 -0.67 -2.51 115.31 116.95 3g58 h LEU 342 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3g58 h LEU 342 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3g58 h LEU 342 CO -0.26 0.07 0.00 -1.20 0.09 0.00 0.00 178.44 177.15 3g58 n SER 343 N -4.38 1.58 -4.76 -0.43 7.64 -0.43 -4.77 113.62 108.07 3g58 n SER 343 Ca -0.03 -1.85 -0.41 0.00 1.01 0.00 0.00 58.87 57.59 3g58 n SER 343 Cb 0.15 -0.16 -0.02 0.00 -1.01 0.00 0.00 64.21 63.17 3g58 n SER 343 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3g58 s THR 344 N -1.69 2.77 0.32 0.44 -1.32 -0.95 -4.89 115.64 110.32 3g58 s THR 344 Ca 0.26 0.70 0.08 0.00 -1.21 0.00 0.00 61.69 61.52 3g58 s THR 344 Cb 0.14 -3.44 0.31 0.00 -1.51 0.00 0.00 72.50 68.00 3g58 s THR 344 CO 0.19 0.14 1.76 -0.65 -2.21 0.00 0.00 174.62 173.85 3g58 h PRO 345 N 4.32 0.64 0.00 7.08 0.11 -1.92 -0.51 132.00 141.73 3g58 h PRO 345 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3g58 h PRO 345 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3g58 h PRO 345 CO 0.72 0.43 0.00 0.00 -0.21 0.00 0.00 178.00 178.94 3g58 h ALA 346 N 1.67 1.00 -0.45 -0.75 0.00 -1.85 -2.07 119.26 116.82 3g58 h ALA 346 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 3g58 h ALA 346 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3g58 h ALA 346 CO -0.40 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.13 3g58 n LEU 347 N -2.86 3.36 -4.73 0.00 4.77 -0.20 -1.83 117.00 115.50 3g58 n LEU 347 Ca -0.01 -2.11 -0.42 0.00 -0.03 0.00 0.00 56.01 53.44 3g58 n LEU 347 Cb 0.15 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 3g58 n LEU 347 CO 0.20 0.79 1.28 1.21 -1.33 0.00 0.00 177.39 179.55 3g58 n GLU 348 N 0.73 2.71 -1.14 3.23 2.13 -0.78 -1.41 120.64 126.12 3g58 n GLU 348 Ca 0.16 0.97 -0.08 0.00 0.66 0.00 0.00 57.16 58.87 3g58 n GLU 348 Cb 0.54 -2.77 -0.03 0.00 0.27 0.00 0.00 31.44 29.44 3g58 n GLU 348 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3g58 n ALA 349 N 2.77 -0.12 0.06 4.31 0.00 -1.26 -4.85 120.51 121.42 3g58 n ALA 349 Ca 0.11 0.13 -0.21 0.00 0.00 0.00 0.00 53.44 53.47 3g58 n ALA 349 Cb 0.36 -1.48 -0.11 0.00 0.00 0.00 0.00 19.45 18.21 3g58 n ALA 349 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g58 h VAL 350 N 0.00 1.28 -2.96 0.00 2.07 -1.58 -3.46 116.25 111.60 3g58 h VAL 350 Ca -0.16 -2.32 -0.66 0.00 0.82 0.00 0.00 66.70 64.38 3g58 h VAL 350 Cb 0.97 2.49 -0.09 0.00 -1.52 0.00 0.00 31.29 33.14 3g58 h VAL 350 CO 0.24 0.71 -0.54 -0.36 0.02 0.00 0.00 177.57 177.64 3g58 s PHE 351 N -3.20 3.39 0.84 1.57 0.08 -1.26 -5.00 117.98 114.39 3g58 s PHE 351 Ca -0.10 0.32 -0.12 0.00 0.12 0.00 0.00 56.93 57.16 3g58 s PHE 351 Cb 0.06 -1.82 0.09 0.00 -0.57 0.00 0.00 43.02 40.79 3g58 s PHE 351 CO 0.93 0.60 1.10 0.95 -0.10 0.00 0.00 175.22 178.70 3g58 s THR 352 N -1.11 2.87 0.30 0.64 -4.23 -1.26 -4.85 115.64 108.00 3g58 s THR 352 Ca 0.19 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.99 3g58 s THR 352 Cb -0.12 -2.93 0.28 0.00 1.34 0.00 0.00 72.50 71.07 3g58 s THR 352 CO 0.10 -0.37 1.92 0.44 -0.54 0.00 0.00 174.62 176.17 3g58 h ASP 353 N -1.28 0.91 -0.32 3.99 3.32 -1.99 -0.57 116.42 120.49 3g58 h ASP 353 Ca -0.48 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.45 3g58 h ASP 353 Cb 1.28 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.62 3g58 h ASP 353 CO 0.58 0.59 -0.22 0.25 -1.72 0.00 0.00 179.24 178.72 3g58 h LEU 354 N 1.04 0.83 -0.57 1.55 5.85 -1.99 -0.11 115.31 121.90 3g58 h LEU 354 Ca 0.38 -0.30 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 3g58 h LEU 354 Cb 0.16 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3g58 h LEU 354 CO -0.13 1.02 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.62 3g58 h GLU 355 N 0.71 1.04 -0.11 1.25 5.08 -1.78 -0.57 114.58 120.18 3g58 h GLU 355 Ca 0.10 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3g58 h GLU 355 Cb 0.75 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3g58 h GLU 355 CO 0.06 1.04 0.06 0.82 -1.00 0.00 0.00 179.01 179.99 3g58 h ILE 356 N 0.92 1.11 -0.59 3.13 2.04 -0.93 -1.24 117.51 121.95 3g58 h ILE 356 Ca 0.16 -0.30 0.08 0.00 1.00 0.00 0.00 64.86 65.79 3g58 h ILE 356 Cb 0.60 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 3g58 h ILE 356 CO 0.04 0.10 0.24 0.25 0.00 0.00 0.00 178.15 178.77 3g58 h LEU 357 N 0.07 0.27 -0.53 1.44 5.85 -0.91 -1.76 115.31 119.75 3g58 h LEU 357 Ca 0.04 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.85 3g58 h LEU 357 Cb 0.10 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 3g58 h LEU 357 CO -0.01 0.17 0.31 0.00 -0.34 0.00 0.00 178.44 178.57 3g58 h ALA 358 N 1.38 0.68 -0.50 1.25 0.00 -0.84 -0.01 119.26 121.21 3g58 h ALA 358 Ca 0.29 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 3g58 h ALA 358 Cb 0.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3g58 h ALA 358 CO -0.26 0.00 -0.03 0.00 0.00 0.00 0.00 179.25 178.96 3g58 h ALA 359 N 1.24 0.68 -0.06 0.00 0.00 -0.83 0.38 119.26 120.67 3g58 h ALA 359 Ca 0.22 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3g58 h ALA 359 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3g58 h ALA 359 CO -0.11 0.51 -0.13 0.82 0.00 0.00 0.00 179.25 180.34 3g58 h ILE 360 N 0.76 1.42 -0.46 0.00 2.04 -1.21 -0.77 117.51 119.30 3g58 h ILE 360 Ca 0.14 -1.46 0.01 0.00 1.00 0.00 0.00 64.86 64.55 3g58 h ILE 360 Cb 0.56 2.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 3g58 h ILE 360 CO 0.03 0.40 0.30 0.15 0.00 0.00 0.00 178.15 179.04 3g58 h PHE 361 N -0.30 0.57 -0.37 1.37 3.57 -1.01 -0.54 116.94 120.23 3g58 h PHE 361 Ca 0.00 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.58 3g58 h PHE 361 Cb 0.72 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 39.21 3g58 h PHE 361 CO 0.12 0.35 -0.01 0.00 -2.23 0.00 0.00 178.31 176.54 3g58 h ALA 362 N 1.17 0.32 -0.73 2.41 0.00 -0.91 -1.62 119.26 119.90 3g58 h ALA 362 Ca 0.17 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.24 3g58 h ALA 362 Cb -0.06 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3g58 h ALA 362 CO -0.04 -0.41 0.44 0.77 0.00 0.00 0.00 179.25 180.01 3g58 h SER 363 N 0.08 0.69 -0.61 0.00 0.02 -0.64 -1.56 113.55 111.53 3g58 h SER 363 Ca 0.18 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.10 3g58 h SER 363 Cb 0.25 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 3g58 h SER 363 CO -0.31 0.46 0.21 0.00 -1.14 0.00 0.00 176.83 176.05 3g58 h ALA 364 N 1.35 1.17 -0.01 3.77 0.00 -0.37 -3.17 119.26 121.99 3g58 h ALA 364 Ca 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3g58 h ALA 364 Cb 0.12 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3g58 h ALA 364 CO -0.15 0.58 -0.40 0.44 0.00 0.00 0.00 179.25 179.72 3g58 n ILE 365 N -4.28 0.00 0.30 0.00 -5.35 -0.68 -4.67 119.36 104.68 3g58 n ILE 365 Ca 0.05 -0.23 0.19 0.00 -0.27 0.00 0.00 62.75 62.49 3g58 n ILE 365 Cb 0.20 1.03 0.86 0.00 -1.74 0.00 0.00 39.64 39.99 3g58 n ILE 365 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3g58 h HIS 366 N 2.17 0.00 0.00 4.28 2.07 -1.26 -1.64 115.15 120.76 3g58 h HIS 366 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3g58 h HIS 366 Cb 0.69 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.67 3g58 h HIS 366 CO 0.00 0.00 -0.01 -0.25 -3.07 0.00 0.00 177.93 174.60 3g58 n ASP 367 N -2.96 2.17 -4.77 3.10 8.00 -1.26 -4.85 116.55 115.97 3g58 n ASP 367 Ca -0.01 -2.68 -0.41 0.00 0.71 0.00 0.00 54.79 52.40 3g58 n ASP 367 Cb 0.20 -0.27 -0.01 0.00 -0.02 0.00 0.00 41.12 41.01 3g58 n ASP 367 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3g58 s VAL 368 N -2.16 2.28 -1.38 2.53 0.11 -0.62 -2.15 120.40 119.01 3g58 s VAL 368 Ca 0.20 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.52 3g58 s VAL 368 Cb 0.18 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.86 3g58 s VAL 368 CO 0.02 0.06 0.00 -0.67 -3.33 0.00 0.00 175.10 171.18 3g58 n ASP 369 N 0.95 -4.73 -4.68 3.54 2.03 -0.15 -4.31 116.55 109.19 3g58 n ASP 369 Ca 0.02 0.02 -0.42 0.00 0.52 0.00 0.00 54.79 54.93 3g58 n ASP 369 Cb 0.40 -3.84 -0.03 0.00 -0.72 0.00 0.00 41.12 36.93 3g58 n ASP 369 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3g58 s HIS 370 N -2.77 2.46 -1.23 -0.67 2.46 -0.91 -4.90 115.29 109.72 3g58 s HIS 370 Ca 0.00 0.46 0.29 0.00 0.47 0.00 0.00 55.06 56.28 3g58 s HIS 370 Cb 0.00 -3.85 1.28 0.00 -0.13 0.00 0.00 32.58 29.87 3g58 s HIS 370 CO 0.00 -3.39 1.92 -0.35 -2.47 0.00 0.00 174.74 170.45 3g58 n PRO 371 N 5.90 0.23 -0.57 2.88 -0.04 -1.26 -4.54 135.00 137.60 3g58 n PRO 371 Ca 0.15 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 3g58 n PRO 371 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3g58 n PRO 371 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g58 n GLY 372 N 1.40 0.66 3.22 0.55 0.00 -1.26 -4.99 105.19 104.78 3g58 n GLY 372 Ca 0.10 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 3g58 n GLY 372 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g58 s VAL 373 N -2.00 1.08 0.75 1.61 -7.23 -1.26 -4.68 120.40 108.66 3g58 s VAL 373 Ca 0.00 -1.93 -0.12 0.00 -1.81 0.00 0.00 61.98 58.12 3g58 s VAL 373 Cb 0.00 -1.70 0.04 0.00 0.56 0.00 0.00 36.38 35.28 3g58 s VAL 373 CO 0.00 -0.70 1.11 -0.94 -0.31 0.00 0.00 175.10 174.27 3g58 s SER 374 N -2.94 5.04 0.21 4.85 1.04 -1.26 -4.91 113.70 115.73 3g58 s SER 374 Ca 0.13 1.11 -0.10 0.00 0.48 0.00 0.00 55.95 57.57 3g58 s SER 374 Cb 0.01 -1.84 0.31 0.00 0.10 0.00 0.00 66.02 64.61 3g58 s SER 374 CO 0.00 -1.60 1.68 0.78 0.98 0.00 0.00 173.24 175.08 3g58 h ASN 375 N -0.83 -0.15 -0.79 7.02 2.35 -2.01 -2.26 115.58 118.91 3g58 h ASN 375 Ca -0.46 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 3g58 h ASN 375 Cb 1.27 0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.82 3g58 h ASN 375 CO 0.63 -0.07 0.52 -0.61 -1.65 0.00 0.00 177.43 176.25 3g58 h GLN 376 N 0.18 1.06 -0.50 0.81 5.75 -1.97 0.15 115.11 120.58 3g58 h GLN 376 Ca 0.33 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.73 3g58 h GLN 376 Cb 0.52 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 3g58 h GLN 376 CO -0.48 0.71 0.22 0.35 -2.65 0.00 0.00 178.83 176.98 3g58 h PHE 377 N 1.08 0.75 -0.86 3.99 3.04 -1.84 0.25 116.94 123.34 3g58 h PHE 377 Ca 0.29 -0.05 -0.03 0.00 3.98 0.00 0.00 57.97 62.16 3g58 h PHE 377 Cb -0.11 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.14 3g58 h PHE 377 CO 0.00 0.61 0.42 -0.07 -2.02 0.00 0.00 178.31 177.26 3g58 h LEU 378 N 0.67 1.12 -0.08 0.59 3.38 -0.73 -2.05 115.31 118.21 3g58 h LEU 378 Ca 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3g58 h LEU 378 Cb 0.16 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 3g58 h LEU 378 CO -0.02 0.94 -0.04 0.40 0.09 0.00 0.00 178.44 179.81 3g58 h ILE 379 N 1.23 1.33 0.00 1.22 2.04 -0.46 -1.92 117.51 120.95 3g58 h ILE 379 Ca 0.30 -1.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.01 3g58 h ILE 379 Cb 0.11 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 3g58 h ILE 379 CO -0.04 0.30 -0.32 0.78 0.00 0.00 0.00 178.15 178.88 3g58 h ASN 380 N -0.22 0.00 -0.03 1.72 2.35 -0.41 -1.96 115.58 117.02 3g58 h ASN 380 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3g58 h ASN 380 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3g58 h ASN 380 CO 0.01 0.32 0.00 0.35 -1.65 0.00 0.00 177.43 176.46 3g58 n THR 381 N -4.00 0.04 -3.91 2.81 -2.24 -0.78 -4.92 114.28 101.28 3g58 n THR 381 Ca -0.02 -0.10 -0.29 0.00 -2.27 0.00 0.00 64.05 61.37 3g58 n THR 381 Cb 0.37 -0.10 0.02 0.00 -2.10 0.00 0.00 70.33 68.52 3g58 n THR 381 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3g58 n ASN 382 N -0.49 -4.03 -4.71 3.42 3.02 -0.74 -4.94 115.26 106.79 3g58 n ASN 382 Ca 0.18 -0.81 -0.38 0.00 -0.03 0.00 0.00 54.58 53.54 3g58 n ASN 382 Cb 0.17 -3.80 0.06 0.00 -0.61 0.00 0.00 39.78 35.60 3g58 n ASN 382 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3g58 n SER 383 N -2.86 2.04 -0.33 6.41 3.41 -0.73 -4.85 113.62 116.71 3g58 n SER 383 Ca -0.02 0.87 0.09 0.00 -0.26 0.00 0.00 58.87 59.55 3g58 n SER 383 Cb 0.55 -1.53 0.29 0.00 -0.26 0.00 0.00 64.21 63.25 3g58 n SER 383 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3g58 h GLU 384 N 0.79 0.87 -0.34 4.33 4.81 -1.92 -1.65 114.58 121.48 3g58 h GLU 384 Ca -0.50 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 3g58 h GLU 384 Cb 1.33 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 3g58 h GLU 384 CO 0.54 0.57 0.19 -0.07 -0.73 0.00 0.00 179.01 179.51 3g58 h LEU 385 N 0.89 0.41 -1.23 1.64 3.38 -1.93 -0.56 115.31 117.92 3g58 h LEU 385 Ca 0.49 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.36 3g58 h LEU 385 Cb 0.59 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 3g58 h LEU 385 CO -0.26 0.37 0.21 0.00 0.09 0.00 0.00 178.44 178.86 3g58 h ALA 386 N 1.06 1.40 -0.20 1.53 0.00 -1.68 -1.92 119.26 119.44 3g58 h ALA 386 Ca 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3g58 h ALA 386 Cb 0.05 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3g58 h ALA 386 CO -0.02 0.46 0.02 1.25 0.00 0.00 0.00 179.25 180.97 3g58 h LEU 387 N 0.74 0.33 -0.68 0.00 5.85 -0.96 0.28 115.31 120.88 3g58 h LEU 387 Ca 0.18 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3g58 h LEU 387 Cb 0.14 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 3g58 h LEU 387 CO -0.02 0.52 0.42 -0.03 -0.34 0.00 0.00 178.44 178.99 3g58 h MET 388 N 0.13 0.79 -0.58 1.25 4.05 -0.85 -3.07 114.93 116.65 3g58 h MET 388 Ca 0.06 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 3g58 h MET 388 Cb 0.34 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 3g58 h MET 388 CO 0.01 0.52 0.00 0.66 0.23 0.00 0.00 176.91 178.33 3g58 n TYR 389 N -4.69 1.53 -3.94 1.39 4.02 -0.74 -4.95 117.16 109.78 3g58 n TYR 389 Ca 0.07 -0.66 -0.30 0.00 -0.01 0.00 0.00 57.90 57.00 3g58 n TYR 389 Cb 0.09 -0.31 0.01 0.00 -0.02 0.00 0.00 39.34 39.12 3g58 n TYR 389 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3g58 n ASN 390 N 0.81 -3.59 -0.81 7.72 3.02 -0.09 -1.53 115.26 120.79 3g58 n ASN 390 Ca 0.25 -0.85 -0.09 0.00 -0.03 0.00 0.00 54.58 53.87 3g58 n ASN 390 Cb 0.95 -3.64 -0.04 0.00 -0.61 0.00 0.00 39.78 36.44 3g58 n ASN 390 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3g58 n ASP 391 N -2.85 -4.50 -4.26 6.41 8.00 -0.20 -4.94 116.55 114.22 3g58 n ASP 391 Ca -0.04 0.22 -0.35 0.00 0.71 0.00 0.00 54.79 55.34 3g58 n ASP 391 Cb 0.56 -3.44 -0.14 0.00 -0.02 0.00 0.00 41.12 38.07 3g58 n ASP 391 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3g58 s SER 392 N -2.02 4.05 -1.22 -2.24 0.01 -0.58 -4.64 113.70 107.05 3g58 s SER 392 Ca 0.00 -0.47 -0.17 0.00 1.31 0.00 0.00 55.95 56.62 3g58 s SER 392 Cb 0.00 -1.68 0.02 0.00 0.21 0.00 0.00 66.02 64.57 3g58 s SER 392 CO 0.00 -0.02 0.32 -1.20 0.41 0.00 0.00 173.24 172.75 3g58 n SER 393 N 4.75 -1.50 0.39 2.44 7.64 -1.26 -4.82 113.62 121.27 3g58 n SER 393 Ca -0.19 -1.16 -0.19 0.00 1.01 0.00 0.00 58.87 58.35 3g58 n SER 393 Cb 0.50 -1.41 -0.09 0.00 -1.01 0.00 0.00 64.21 62.20 3g58 n SER 393 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3g58 h VAL 394 N -1.78 0.15 -0.58 0.44 2.07 -1.87 0.21 116.25 114.88 3g58 h VAL 394 Ca -0.61 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 66.82 3g58 h VAL 394 Cb 1.25 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3g58 h VAL 394 CO 0.54 0.00 0.03 -0.07 0.02 0.00 0.00 177.57 178.09 3g58 h LEU 395 N -1.07 0.99 -0.53 2.57 3.38 -1.95 -1.96 115.31 116.75 3g58 h LEU 395 Ca -0.09 -0.29 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 3g58 h LEU 395 Cb 0.85 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3g58 h LEU 395 CO 0.11 1.04 -0.02 -0.33 0.09 0.00 0.00 178.44 179.32 3g58 h GLU 396 N 0.91 0.95 -0.72 1.13 3.07 -1.87 0.22 114.58 118.25 3g58 h GLU 396 Ca 0.17 -0.31 0.06 0.00 -0.50 0.00 0.00 59.36 58.77 3g58 h GLU 396 Cb 0.52 -0.08 -0.06 0.00 -0.84 0.00 0.00 28.75 28.29 3g58 h GLU 396 CO 0.02 0.97 0.42 -0.91 -1.40 0.00 0.00 179.01 178.12 3g58 h ASN 397 N 0.82 0.64 -0.35 1.42 2.35 -0.88 -2.67 115.58 116.90 3g58 h ASN 397 Ca 0.15 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 3g58 h ASN 397 Cb 0.56 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3g58 h ASN 397 CO 0.03 0.41 0.04 -0.74 -1.65 0.00 0.00 177.43 175.52 3g58 h HIS 398 N 0.77 0.64 -0.58 1.19 2.76 -0.49 -1.56 115.15 117.88 3g58 h HIS 398 Ca 0.32 -0.10 0.08 0.00 -2.20 0.00 0.00 60.37 58.47 3g58 h HIS 398 Cb 0.18 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 28.90 3g58 h HIS 398 CO -0.06 0.67 0.23 0.45 -1.30 0.00 0.00 177.93 177.92 3g58 h HIS 399 N 0.43 0.41 0.28 5.26 3.86 -0.52 0.29 115.15 125.16 3g58 h HIS 399 Ca 0.11 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 3g58 h HIS 399 Cb 0.38 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3g58 h HIS 399 CO 0.03 0.14 -0.13 -0.07 0.86 0.00 0.00 177.93 178.75 3g58 h LEU 400 N 0.43 -0.32 -0.53 2.43 3.38 -1.37 -0.54 115.31 118.80 3g58 h LEU 400 Ca 0.28 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.30 3g58 h LEU 400 Cb 0.31 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 3g58 h LEU 400 CO -0.26 -0.22 0.26 0.00 0.09 0.00 0.00 178.44 178.31 3g58 h ALA 401 N 0.33 0.68 -0.33 1.53 0.00 -0.72 -0.84 119.26 119.91 3g58 h ALA 401 Ca -0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3g58 h ALA 401 Cb 0.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3g58 h ALA 401 CO 0.06 -0.09 0.14 0.28 0.00 0.00 0.00 179.25 179.65 3g58 h VAL 402 N 0.51 1.18 -0.47 0.00 2.07 -0.90 0.34 116.25 118.97 3g58 h VAL 402 Ca 0.24 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3g58 h VAL 402 Cb 0.16 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3g58 h VAL 402 CO -0.17 0.19 0.25 1.23 0.02 0.00 0.00 177.57 179.09 3g58 h GLY 403 N 0.39 0.66 1.09 2.17 0.00 -0.36 -0.68 103.07 106.33 3g58 h GLY 403 Ca 0.11 -0.18 -0.19 0.00 0.00 0.00 0.00 47.33 47.08 3g58 h GLY 403 CO -0.01 0.13 -0.61 0.74 0.00 0.00 0.00 176.54 176.79 3g58 h PHE 404 N 0.50 0.99 -0.57 5.60 0.04 -1.18 -3.31 116.94 119.00 3g58 h PHE 404 Ca 0.20 -0.40 0.00 0.00 2.80 0.00 0.00 57.97 60.58 3g58 h PHE 404 Cb 0.09 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 3g58 h PHE 404 CO -0.09 1.21 0.37 -0.22 -0.60 0.00 0.00 178.31 178.98 3g58 h LYS 405 N 0.48 0.76 0.00 1.51 1.63 -0.20 -2.25 116.57 118.50 3g58 h LYS 405 Ca -0.02 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 3g58 h LYS 405 Cb 1.23 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 3g58 h LYS 405 CO 0.13 0.51 0.00 -0.07 -3.45 0.00 0.00 179.45 176.57 3g58 h LEU 406 N 0.78 0.00 -2.92 5.20 3.38 -1.23 -1.70 115.31 118.82 3g58 h LEU 406 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3g58 h LEU 406 Cb -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3g58 h LEU 406 CO -0.04 0.00 -0.00 -0.07 0.09 0.00 0.00 178.44 178.42 3g58 h LEU 407 N 0.00 0.00 -0.21 1.67 3.38 -1.53 -2.28 115.31 116.34 3g58 h LEU 407 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g58 h LEU 407 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3g58 h LEU 407 CO 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.25 3g58 n GLN 408 N -3.17 0.42 -1.38 1.13 6.02 -0.64 -2.46 117.38 117.30 3g58 n GLN 408 Ca -0.03 -0.21 -0.30 0.00 -0.01 0.00 0.00 57.00 56.45 3g58 n GLN 408 Cb 0.08 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 29.96 3g58 n GLN 408 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3g58 s GLU 409 N -2.72 1.50 0.12 -1.09 2.02 -0.86 -4.89 118.70 112.78 3g58 s GLU 409 Ca 0.20 0.65 -0.31 0.00 0.02 0.00 0.00 54.97 55.52 3g58 s GLU 409 Cb 0.19 -1.85 -0.11 0.00 0.10 0.00 0.00 34.13 32.46 3g58 s GLU 409 CO 0.57 -2.03 1.83 -1.91 0.02 0.00 0.00 175.26 173.74 3g58 n GLU 410 N -3.71 2.75 -3.87 1.61 4.07 -1.26 -1.94 120.64 118.28 3g58 n GLU 410 Ca 0.07 1.00 -0.26 0.00 -0.06 0.00 0.00 57.16 57.90 3g58 n GLU 410 Cb 0.56 -2.89 0.01 0.00 -0.06 0.00 0.00 31.44 29.07 3g58 n GLU 410 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 3g58 n ASN 411 N 5.54 -2.28 -0.05 4.31 5.15 -1.26 -4.91 115.26 121.76 3g58 n ASN 411 Ca 0.18 -0.87 0.01 0.00 -0.60 0.00 0.00 54.58 53.30 3g58 n ASN 411 Cb 0.37 -3.66 0.00 0.00 -0.53 0.00 0.00 39.78 35.96 3g58 n ASN 411 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g58 s ASP 413 N -0.40 6.79 0.32 0.00 2.15 -1.03 -4.51 116.67 120.00 3g58 s ASP 413 Ca 0.02 -2.33 0.24 0.00 0.43 0.00 0.00 52.55 50.90 3g58 s ASP 413 Cb 0.01 -2.47 1.17 0.00 -0.30 0.00 0.00 42.92 41.34 3g58 s ASP 413 CO 0.03 -1.06 1.72 0.16 -0.17 0.00 0.00 175.17 175.86 3g58 h ILE 414 N 5.56 0.00 -0.63 4.11 3.07 -1.86 -2.37 117.51 125.40 3g58 h ILE 414 Ca 0.28 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.59 3g58 h ILE 414 Cb 0.94 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.20 3g58 h ILE 414 CO 1.28 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.87 3g58 n PHE 415 N -2.32 1.38 0.09 0.16 3.72 -1.26 -4.63 117.46 114.60 3g58 n PHE 415 Ca -0.00 -0.61 0.09 0.00 -0.05 0.00 0.00 57.45 56.88 3g58 n PHE 415 Cb 0.11 -0.22 0.56 0.00 -0.94 0.00 0.00 39.48 39.00 3g58 n PHE 415 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3g58 h GLN 416 N 3.92 0.22 -0.61 -1.08 3.07 -1.78 -2.23 115.11 116.62 3g58 h GLN 416 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 3g58 h GLN 416 Cb 1.39 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.90 3g58 h GLN 416 CO 0.20 0.14 0.00 0.09 0.09 0.00 0.00 178.83 179.36 3g58 n ASN 417 N -4.49 3.75 -4.79 0.06 3.02 -1.26 -4.91 115.26 106.64 3g58 n ASN 417 Ca 0.03 -2.00 -0.36 0.00 -0.03 0.00 0.00 54.58 52.22 3g58 n ASN 417 Cb 0.20 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 3g58 n ASN 417 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g58 s LEU 418 N -1.18 4.13 0.82 3.41 1.02 -0.84 -4.90 118.68 121.14 3g58 s LEU 418 Ca 0.45 1.98 -0.11 0.00 0.02 0.00 0.00 54.13 56.48 3g58 s LEU 418 Cb 0.25 -4.21 0.08 0.00 0.02 0.00 0.00 46.19 42.33 3g58 s LEU 418 CO 0.33 -0.45 1.09 0.42 0.02 0.00 0.00 176.35 177.76 3g58 s THR 419 N -1.71 3.07 0.24 5.49 -4.23 -1.26 -4.74 115.64 112.50 3g58 s THR 419 Ca 0.58 0.35 -0.05 0.00 -1.18 0.00 0.00 61.69 61.38 3g58 s THR 419 Cb -0.20 -2.81 0.20 0.00 1.34 0.00 0.00 72.50 71.03 3g58 s THR 419 CO 0.26 -0.45 1.73 0.50 -0.54 0.00 0.00 174.62 176.11 3g58 h LYS 420 N -1.29 0.41 -0.75 3.99 1.63 -1.98 0.10 116.57 118.67 3g58 h LYS 420 Ca -0.45 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.28 3g58 h LYS 420 Cb 1.25 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.75 3g58 h LYS 420 CO 0.52 0.27 0.29 -0.22 -3.45 0.00 0.00 179.45 176.85 3g58 h LYS 421 N 0.42 1.13 -0.38 1.90 1.63 -1.99 0.41 116.57 119.69 3g58 h LYS 421 Ca 0.39 -0.21 -0.05 0.00 -0.85 0.00 0.00 60.65 59.93 3g58 h LYS 421 Cb 0.58 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.02 3g58 h LYS 421 CO -0.39 0.92 0.03 1.96 -3.45 0.00 0.00 179.45 178.52 3g58 h GLN 422 N 1.10 0.65 -0.37 1.90 4.20 -1.56 -1.77 115.11 119.25 3g58 h GLN 422 Ca 0.25 -0.19 0.01 0.00 0.06 0.00 0.00 58.65 58.78 3g58 h GLN 422 Cb 0.23 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3g58 h GLN 422 CO -0.02 0.73 0.24 0.00 -0.67 0.00 0.00 178.83 179.11 3g58 h ARG 423 N 0.48 0.47 -0.47 1.46 3.08 -0.48 0.61 114.38 119.54 3g58 h ARG 423 Ca 0.11 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 3g58 h ARG 423 Cb 0.42 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 3g58 h ARG 423 CO 0.01 0.31 -0.10 1.96 -1.07 0.00 0.00 179.97 181.09 3g58 h GLN 424 N 0.49 0.84 -0.17 0.04 4.20 -0.86 0.49 115.11 120.14 3g58 h GLN 424 Ca 0.14 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 3g58 h GLN 424 Cb -0.05 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3g58 h GLN 424 CO -0.04 0.91 -0.02 1.03 -0.67 0.00 0.00 178.83 180.04 3g58 h SER 425 N 0.76 0.32 -0.39 1.46 0.87 -1.13 -2.41 113.55 113.02 3g58 h SER 425 Ca 0.13 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 3g58 h SER 425 Cb 0.60 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 3g58 h SER 425 CO 0.04 0.58 0.25 0.25 -0.53 0.00 0.00 176.83 177.41 3g58 h LEU 426 N 0.05 0.46 -0.46 2.23 5.85 -0.65 -2.17 115.31 120.61 3g58 h LEU 426 Ca 0.05 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3g58 h LEU 426 Cb 0.42 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 3g58 h LEU 426 CO 0.01 0.36 0.28 -0.09 -0.34 0.00 0.00 178.44 178.66 3g58 h ARG 427 N 0.53 0.54 -0.67 1.25 2.43 -0.94 -1.06 114.38 116.46 3g58 h ARG 427 Ca 0.14 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 3g58 h ARG 427 Cb -0.03 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 3g58 h ARG 427 CO -0.03 0.36 0.36 -0.22 -1.51 0.00 0.00 179.97 178.93 3g58 h LYS 428 N 0.55 0.94 -0.39 0.20 3.64 -1.07 -1.86 116.57 118.58 3g58 h LYS 428 Ca 0.18 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3g58 h LYS 428 Cb 0.00 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3g58 h LYS 428 CO -0.08 0.72 0.13 0.52 -2.27 0.00 0.00 179.45 178.47 3g58 h MET 429 N 0.92 0.59 -0.44 1.90 2.86 -1.07 -0.39 114.93 119.31 3g58 h MET 429 Ca 0.24 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 3g58 h MET 429 Cb 0.05 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 3g58 h MET 429 CO -0.04 0.59 0.19 0.28 1.06 0.00 0.00 176.91 178.99 3g58 h VAL 430 N 0.48 1.19 -0.32 -2.22 2.07 -1.04 0.81 116.25 117.23 3g58 h VAL 430 Ca 0.13 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 3g58 h VAL 430 Cb 0.23 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3g58 h VAL 430 CO -0.01 0.22 0.15 0.40 0.02 0.00 0.00 177.57 178.35 3g58 h ILE 431 N 0.57 1.16 -0.93 4.57 2.04 -1.19 -0.53 117.51 123.21 3g58 h ILE 431 Ca 0.15 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.58 3g58 h ILE 431 Cb 0.16 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3g58 h ILE 431 CO -0.01 0.17 0.61 0.44 0.00 0.00 0.00 178.15 179.35 3g58 h ASP 432 N 0.38 1.03 0.09 1.72 3.45 -0.65 -1.66 116.42 120.78 3g58 h ASP 432 Ca 0.11 -0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.55 3g58 h ASP 432 Cb 0.12 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 38.65 3g58 h ASP 432 CO -0.01 0.72 -0.04 0.40 -1.57 0.00 0.00 179.24 178.74 3g58 h ILE 433 N 1.20 1.16 -0.49 0.35 2.04 -0.58 -3.09 117.51 118.09 3g58 h ILE 433 Ca 0.36 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 3g58 h ILE 433 Cb -0.05 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 3g58 h ILE 433 CO -0.10 0.27 0.06 0.58 0.00 0.00 0.00 178.15 178.97 3g58 h VAL 434 N -0.67 1.25 -0.15 1.67 2.07 -1.04 -2.26 116.25 117.12 3g58 h VAL 434 Ca -0.01 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 66.59 3g58 h VAL 434 Cb 0.53 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3g58 h VAL 434 CO 0.02 0.34 0.13 -0.07 0.02 0.00 0.00 177.57 178.01 3g58 h LEU 435 N 0.70 0.00 -0.23 2.57 3.38 -1.43 -0.93 115.31 119.37 3g58 h LEU 435 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3g58 h LEU 435 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3g58 h LEU 435 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3g58 n ALA 436 N -2.46 1.98 0.69 1.53 0.00 -0.86 -3.03 120.51 118.36 3g58 n ALA 436 Ca 0.01 -0.01 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3g58 n ALA 436 Cb 0.25 -1.40 0.43 0.00 0.00 0.00 0.00 19.45 18.73 3g58 n ALA 436 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3g58 n THR 437 N -1.98 0.48 -1.58 0.00 -2.24 -0.35 -4.77 114.28 103.84 3g58 n THR 437 Ca 0.04 -0.24 -0.53 0.00 -2.27 0.00 0.00 64.05 61.06 3g58 n THR 437 Cb 0.30 -0.54 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 3g58 n THR 437 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3g58 n ASP 438 N -2.13 2.47 0.15 3.42 -0.08 -1.17 -4.81 116.55 114.41 3g58 n ASP 438 Ca 0.06 0.75 0.16 0.00 -1.51 0.00 0.00 54.79 54.24 3g58 n ASP 438 Cb 0.42 -1.24 0.74 0.00 2.34 0.00 0.00 41.12 43.38 3g58 n ASP 438 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 3g58 h MET 439 N 10.03 0.00 0.00 -0.67 2.86 -1.86 -0.42 114.93 124.87 3g58 h MET 439 Ca -0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 3g58 h MET 439 Cb 1.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.97 3g58 h MET 439 CO 0.99 0.00 0.00 0.66 1.06 0.00 0.00 176.91 179.62 3g58 h SER 440 N 0.00 0.00 -0.32 1.22 4.64 -1.78 -2.06 113.55 115.26 3g58 h SER 440 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3g58 h SER 440 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3g58 h SER 440 CO -0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3g58 n LYS 441 N -2.63 2.23 -0.05 4.77 5.02 -0.17 -3.28 118.16 124.06 3g58 n LYS 441 Ca -0.01 -1.86 -0.08 0.00 -2.02 0.00 0.00 58.31 54.34 3g58 n LYS 441 Cb 0.11 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 3g58 n LYS 441 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3g58 h HIS 442 N 3.65 -0.36 -0.75 2.13 2.76 -1.49 -1.70 115.15 119.39 3g58 h HIS 442 Ca 0.00 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 3g58 h HIS 442 Cb 0.80 0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.93 3g58 h HIS 442 CO 0.20 -0.21 0.27 1.98 -1.30 0.00 0.00 177.93 178.87 3g58 h MET 443 N -0.13 1.13 -0.09 5.26 4.05 -1.79 0.47 114.93 123.84 3g58 h MET 443 Ca 0.13 -0.22 -0.19 0.00 -0.28 0.00 0.00 59.70 59.14 3g58 h MET 443 Cb 0.33 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 3g58 h MET 443 CO -0.32 0.94 -0.74 -0.91 0.23 0.00 0.00 176.91 176.12 3g58 h ASN 444 N 1.10 0.57 -0.42 1.39 2.35 -1.85 -0.77 115.58 117.95 3g58 h ASN 444 Ca 0.25 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 3g58 h ASN 444 Cb 0.26 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 3g58 h ASN 444 CO -0.01 1.13 0.23 0.25 -1.65 0.00 0.00 177.43 177.37 3g58 h LEU 445 N 0.33 0.53 -0.38 1.61 5.85 -0.88 -1.41 115.31 120.96 3g58 h LEU 445 Ca -0.03 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 3g58 h LEU 445 Cb 1.32 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3g58 h LEU 445 CO 0.13 0.46 0.03 0.25 -0.34 0.00 0.00 178.44 178.98 3g58 h LEU 446 N 0.55 0.63 -0.68 2.25 5.85 -0.78 -0.64 115.31 122.49 3g58 h LEU 446 Ca 0.15 -0.28 0.07 0.00 0.84 0.00 0.00 57.88 58.66 3g58 h LEU 446 Cb 0.05 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 3g58 h LEU 446 CO -0.02 0.75 0.36 0.00 -0.34 0.00 0.00 178.44 179.18 3g58 h ALA 447 N 0.90 0.92 -0.35 1.25 0.00 -1.03 -0.13 119.26 120.81 3g58 h ALA 447 Ca 0.11 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3g58 h ALA 447 Cb 0.41 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3g58 h ALA 447 CO 0.01 0.00 0.17 -0.44 0.00 0.00 0.00 179.25 179.00 3g58 h ASP 448 N 0.64 0.46 -0.78 0.00 3.32 -0.93 -2.30 116.42 116.83 3g58 h ASP 448 Ca 0.32 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.27 3g58 h ASP 448 Cb 0.26 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 3g58 h ASP 448 CO -0.22 0.44 0.51 0.25 -1.72 0.00 0.00 179.24 178.51 3g58 h LEU 449 N 0.43 0.87 -0.74 1.55 5.85 -0.30 -1.41 115.31 121.56 3g58 h LEU 449 Ca 0.12 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3g58 h LEU 449 Cb 0.11 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3g58 h LEU 449 CO -0.02 0.62 0.46 0.11 -0.34 0.00 0.00 178.44 179.27 3g58 h LYS 450 N 1.02 1.00 -0.54 1.25 1.57 -0.95 -1.09 116.57 118.84 3g58 h LYS 450 Ca 0.30 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 3g58 h LYS 450 Cb -0.06 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 3g58 h LYS 450 CO -0.08 0.70 0.25 1.15 -0.57 0.00 0.00 179.45 180.89 3g58 h THR 451 N 1.01 1.20 -0.40 -0.16 2.02 -0.91 -1.33 112.91 114.34 3g58 h THR 451 Ca 0.27 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.88 3g58 h THR 451 Cb -0.05 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.93 3g58 h THR 451 CO -0.05 0.23 0.22 -0.03 0.37 0.00 0.00 175.52 176.26 3g58 h MET 452 N 0.72 0.44 -0.83 6.66 1.85 -0.99 -2.52 114.93 120.26 3g58 h MET 452 Ca 0.18 -0.03 0.05 0.00 -0.61 0.00 0.00 59.70 59.29 3g58 h MET 452 Cb 0.14 -0.10 -0.06 0.00 0.43 0.00 0.00 31.60 32.01 3g58 h MET 452 CO -0.02 0.29 0.52 0.28 -0.40 0.00 0.00 176.91 177.58 3g58 h VAL 453 N 0.45 1.08 -0.64 -5.77 2.07 -0.70 -0.49 116.25 112.26 3g58 h VAL 453 Ca 0.16 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 3g58 h VAL 453 Cb 0.03 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.78 3g58 h VAL 453 CO -0.09 0.18 0.33 -0.33 0.02 0.00 0.00 177.57 177.68 3g58 h GLU 454 N 0.98 0.89 -0.58 1.57 5.08 -0.89 -2.45 114.58 119.18 3g58 h GLU 454 Ca 0.35 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.43 3g58 h GLU 454 Cb 0.09 -0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.06 3g58 h GLU 454 CO -0.14 0.67 0.17 0.25 -1.00 0.00 0.00 179.01 178.96 3g58 n THR 455 N -4.36 2.75 -1.72 1.13 -2.24 -0.95 -5.03 114.28 103.86 3g58 n THR 455 Ca 0.06 -1.89 -0.42 0.00 -2.27 0.00 0.00 64.05 59.53 3g58 n THR 455 Cb 0.11 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 3g58 n THR 455 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3g58 n LYS 456 N -0.43 2.75 -5.00 -0.78 4.81 -0.23 -5.02 118.16 114.25 3g58 n LYS 456 Ca 0.36 0.99 -0.30 0.00 -0.87 0.00 0.00 58.31 58.50 3g58 n LYS 456 Cb 1.24 -2.83 -0.15 0.00 0.02 0.00 0.00 35.03 33.31 3g58 n LYS 456 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3g58 s LYS 457 N 0.96 1.83 0.17 1.64 1.02 -1.26 -5.08 119.74 119.02 3g58 s LYS 457 Ca 0.74 -1.01 0.10 0.00 0.02 0.00 0.00 55.97 55.82 3g58 s LYS 457 Cb -0.51 -1.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 3g58 s LYS 457 CO 0.34 0.51 -0.17 0.14 -0.92 0.00 0.00 175.35 175.25 3g58 s VAL 458 N -0.72 2.77 0.62 3.17 -7.23 -1.26 -0.45 120.40 117.30 3g58 s VAL 458 Ca 0.10 -1.78 -0.11 0.00 -1.81 0.00 0.00 61.98 58.39 3g58 s VAL 458 Cb -0.10 -2.33 0.15 0.00 0.56 0.00 0.00 36.38 34.66 3g58 s VAL 458 CO 0.01 -0.06 0.74 0.35 -0.31 0.00 0.00 175.10 175.83 3g58 n THR 459 N 0.30 0.00 -0.30 5.32 -2.24 0.31 -4.79 114.28 112.88 3g58 n THR 459 Ca -0.13 -0.49 -0.04 0.00 -2.27 0.00 0.00 64.05 61.13 3g58 n THR 459 Cb 0.55 -1.54 0.11 0.00 -2.10 0.00 0.00 70.33 67.35 3g58 n THR 459 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 3g58 h SER 460 N -1.32 1.07 -3.01 3.42 0.87 -2.01 -3.37 113.55 109.20 3g58 h SER 460 Ca -0.25 -0.11 -0.43 0.00 -1.23 0.00 0.00 61.79 59.77 3g58 h SER 460 Cb 0.71 -0.27 0.22 0.00 -0.44 0.00 0.00 62.40 62.62 3g58 h SER 460 CO 0.17 0.88 -0.16 -1.20 -0.53 0.00 0.00 176.83 175.99 3g58 n SER 461 N -4.32 -2.01 -2.85 6.23 7.64 -1.26 -4.94 113.62 112.11 3g58 n SER 461 Ca 0.09 -0.22 -0.39 0.00 1.01 0.00 0.00 58.87 59.36 3g58 n SER 461 Cb 0.12 -1.20 0.04 0.00 -1.01 0.00 0.00 64.21 62.16 3g58 n SER 461 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g58 n GLY 462 N 1.21 5.56 3.48 0.23 0.00 -1.26 -4.96 105.19 109.44 3g58 n GLY 462 Ca 0.02 -2.46 -0.29 0.00 0.00 0.00 0.00 46.02 43.29 3g58 n GLY 462 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g58 s VAL 463 N -5.06 2.74 0.28 1.61 -7.23 -1.26 -4.74 120.40 106.74 3g58 s VAL 463 Ca 0.53 -1.63 -0.30 0.00 -1.81 0.00 0.00 61.98 58.77 3g58 s VAL 463 Cb 0.45 -2.27 -0.13 0.00 0.56 0.00 0.00 36.38 34.99 3g58 s VAL 463 CO -0.37 0.04 1.38 -0.11 -0.31 0.00 0.00 175.10 175.72 3g58 n LEU 464 N 0.64 3.38 -4.62 1.32 7.94 -0.76 -0.53 117.00 124.36 3g58 n LEU 464 Ca -0.15 1.17 -0.40 0.00 -1.11 0.00 0.00 56.01 55.52 3g58 n LEU 464 Cb 0.54 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 42.94 3g58 n LEU 464 CO 0.29 -0.44 0.19 -0.22 -1.11 0.00 0.00 177.39 176.10 3g58 s LEU 465 N -0.38 4.05 -0.12 -1.96 2.96 0.41 -4.70 118.68 118.94 3g58 s LEU 465 Ca 0.63 0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 55.00 3g58 s LEU 465 Cb -0.60 -2.60 0.02 0.00 0.50 0.00 0.00 46.19 43.51 3g58 s LEU 465 CO 0.54 -0.25 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.48 3g58 s LEU 466 N 2.19 1.28 -0.09 -0.68 1.43 -1.26 -4.66 118.68 116.89 3g58 s LEU 466 Ca 0.20 -0.34 0.20 0.00 -1.03 0.00 0.00 54.13 53.16 3g58 s LEU 466 Cb -0.16 -0.90 -0.29 0.00 0.03 0.00 0.00 46.19 44.87 3g58 s LEU 466 CO 0.09 -0.10 0.34 0.47 0.23 0.00 0.00 176.35 177.38 3g58 n ASP 467 N 4.89 0.05 -3.81 2.29 10.43 -1.26 -4.93 116.55 124.22 3g58 n ASP 467 Ca -0.13 0.02 -0.09 0.00 2.57 0.00 0.00 54.79 57.15 3g58 n ASP 467 Cb 0.50 1.49 -0.06 0.00 1.84 0.00 0.00 41.12 44.89 3g58 n ASP 467 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3g58 s ASN 468 N -4.98 -0.03 0.25 -2.24 2.20 -1.26 -5.06 114.94 103.82 3g58 s ASN 468 Ca -0.08 -0.59 -0.05 0.00 -0.94 0.00 0.00 52.86 51.19 3g58 s ASN 468 Cb 0.10 0.42 0.28 0.00 -2.00 0.00 0.00 41.25 40.06 3g58 s ASN 468 CO 0.87 -0.83 1.91 0.22 -2.94 0.00 0.00 177.10 176.33 3g58 h TYR 469 N 2.54 1.20 -0.34 1.54 3.20 -1.99 -2.09 116.97 121.04 3g58 h TYR 469 Ca -0.33 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.57 3g58 h TYR 469 Cb 1.23 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 3g58 h TYR 469 CO 0.38 0.79 0.18 1.03 -1.64 0.00 0.00 178.16 178.90 3g58 h SER 470 N 1.27 0.27 -0.42 -2.11 0.87 -1.98 0.20 113.55 111.64 3g58 h SER 470 Ca 0.33 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.81 3g58 h SER 470 Cb -0.08 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3g58 h SER 470 CO -0.07 0.20 -0.12 0.44 -0.53 0.00 0.00 176.83 176.75 3g58 h ASP 471 N 0.37 0.83 0.14 6.23 3.32 -1.93 -2.27 116.42 123.10 3g58 h ASP 471 Ca 0.14 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 3g58 h ASP 471 Cb 0.03 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.36 3g58 h ASP 471 CO -0.08 1.01 -0.07 0.03 -1.72 0.00 0.00 179.24 178.41 3g58 h ARG 472 N 0.64 -0.18 -0.11 3.56 3.08 -0.92 -2.37 114.38 118.08 3g58 h ARG 472 Ca 0.10 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.09 3g58 h ARG 472 Cb 0.66 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 3g58 h ARG 472 CO 0.05 -0.02 -0.28 0.97 -1.07 0.00 0.00 179.97 179.61 3g58 h ILE 473 N -0.31 1.25 -0.53 2.04 6.09 -0.69 -2.29 117.51 123.08 3g58 h ILE 473 Ca -0.02 -1.17 -0.01 0.00 -1.37 0.00 0.00 64.86 62.29 3g58 h ILE 473 Cb 0.25 1.48 -0.03 0.00 0.47 0.00 0.00 36.82 38.99 3g58 h ILE 473 CO 0.03 0.35 0.30 -0.61 -3.07 0.00 0.00 178.15 175.16 3g58 h GLN 474 N 0.19 0.72 -0.43 2.19 4.15 -1.22 0.19 115.11 120.90 3g58 h GLN 474 Ca 0.03 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.32 3g58 h GLN 474 Cb 0.60 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 3g58 h GLN 474 CO 0.04 0.54 0.07 0.28 -1.93 0.00 0.00 178.83 177.84 3g58 h VAL 475 N 0.70 1.24 -0.67 2.39 2.07 -1.11 -0.94 116.25 119.94 3g58 h VAL 475 Ca 0.19 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 3g58 h VAL 475 Cb 0.02 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3g58 h VAL 475 CO -0.03 0.31 0.16 -0.07 0.02 0.00 0.00 177.57 177.95 3g58 h LEU 476 N 0.57 1.01 0.10 2.57 3.38 -1.24 0.96 115.31 122.66 3g58 h LEU 476 Ca 0.13 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3g58 h LEU 476 Cb 0.38 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3g58 h LEU 476 CO 0.01 0.97 -0.06 1.56 0.09 0.00 0.00 178.44 181.01 3g58 h GLN 477 N 1.01 -0.14 -0.50 1.13 4.20 -0.38 -1.76 115.11 118.67 3g58 h GLN 477 Ca 0.21 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 3g58 h GLN 477 Cb 0.36 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3g58 h GLN 477 CO 0.00 -0.09 0.14 -0.91 -0.67 0.00 0.00 178.83 177.30 3g58 h ASN 478 N -0.15 0.69 0.14 1.46 2.35 -1.06 -1.23 115.58 117.79 3g58 h ASN 478 Ca -0.01 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 3g58 h ASN 478 Cb 0.12 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3g58 h ASN 478 CO 0.01 0.67 -0.07 -0.03 -1.65 0.00 0.00 177.43 176.36 3g58 h MET 479 N 0.73 -0.19 -0.35 0.81 4.05 -0.50 0.16 114.93 119.65 3g58 h MET 479 Ca 0.17 0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.51 3g58 h MET 479 Cb 0.24 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.07 3g58 h MET 479 CO -0.01 -0.13 -0.17 0.28 0.23 0.00 0.00 176.91 177.12 3g58 h VAL 480 N -0.20 1.26 -0.57 -5.77 2.07 -1.26 -0.94 116.25 110.84 3g58 h VAL 480 Ca -0.02 -1.20 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 3g58 h VAL 480 Cb 0.15 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3g58 h VAL 480 CO 0.03 0.40 0.28 -0.74 0.02 0.00 0.00 177.57 177.56 3g58 h HIS 481 N 0.58 0.82 -0.59 1.57 6.17 -0.96 -0.27 115.15 122.47 3g58 h HIS 481 Ca 0.09 -0.04 0.01 0.00 0.71 0.00 0.00 60.37 61.14 3g58 h HIS 481 Cb 0.62 -0.26 -0.03 0.00 2.52 0.00 0.00 27.41 30.26 3g58 h HIS 481 CO 0.03 0.62 0.39 0.00 0.71 0.00 0.00 177.93 179.68 3g58 h ALA 483 N 1.22 1.01 -0.43 0.00 0.00 -0.76 -1.13 119.26 119.16 3g58 h ALA 483 Ca 0.22 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3g58 h ALA 483 Cb -0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3g58 h ALA 483 CO -0.05 0.30 -0.01 0.22 0.00 0.00 0.00 179.25 179.71 3g58 h ASP 484 N 0.96 0.67 -0.94 0.00 3.58 -0.66 -2.78 116.42 117.26 3g58 h ASP 484 Ca 0.31 -0.16 -0.63 0.00 0.42 0.00 0.00 57.03 56.97 3g58 h ASP 484 Cb 0.01 -0.18 -0.31 0.00 1.72 0.00 0.00 39.33 40.57 3g58 h ASP 484 CO -0.11 0.75 0.56 0.18 -2.88 0.00 0.00 179.24 177.74 3g58 n LEU 485 N -4.23 7.07 -0.18 2.28 4.77 -0.30 -4.64 117.00 121.77 3g58 n LEU 485 Ca 0.02 -4.29 0.10 0.00 -0.03 0.00 0.00 56.01 51.81 3g58 n LEU 485 Cb 0.29 -0.85 -0.07 0.00 -2.33 0.00 0.00 43.42 40.45 3g58 n LEU 485 CO 0.41 1.53 0.08 -1.54 -1.33 0.00 0.00 177.39 176.54 3g58 n SER 486 N -0.91 1.36 -0.18 -1.43 3.41 -0.48 -4.57 113.62 110.81 3g58 n SER 486 Ca 0.59 -1.18 -0.01 0.00 -0.26 0.00 0.00 58.87 58.01 3g58 n SER 486 Cb 0.81 0.80 0.09 0.00 -0.26 0.00 0.00 64.21 65.65 3g58 n SER 486 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3g58 h ASN 487 N 0.90 0.02 0.29 4.04 -0.26 -1.82 -0.23 115.58 118.52 3g58 h ASN 487 Ca 0.00 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 3g58 h ASN 487 Cb 0.58 0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 3g58 h ASN 487 CO 0.00 0.03 0.00 -2.65 -1.06 0.00 0.00 177.43 173.75 3g58 n PRO 488 N -5.11 0.10 0.00 0.81 -0.02 -1.26 -2.02 135.00 127.50 3g58 n PRO 488 Ca 0.07 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 3g58 n PRO 488 Cb 0.28 -1.76 0.20 0.00 -0.02 0.00 0.00 33.50 32.19 3g58 n PRO 488 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g58 n THR 489 N -1.97 0.00 -2.54 3.45 -2.24 -0.11 -4.19 114.28 106.68 3g58 n THR 489 Ca 0.01 -0.38 -0.26 0.00 -2.27 0.00 0.00 64.05 61.15 3g58 n THR 489 Cb 0.10 1.16 0.02 0.00 -2.10 0.00 0.00 70.33 69.51 3g58 n THR 489 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g58 s LYS 490 N -2.12 3.08 0.31 -0.78 -0.14 -0.86 -4.57 119.74 114.66 3g58 s LYS 490 Ca 0.28 -0.04 -0.26 0.00 -1.36 0.00 0.00 55.97 54.59 3g58 s LYS 490 Cb 0.20 -2.34 -0.14 0.00 -1.68 0.00 0.00 37.83 33.87 3g58 s LYS 490 CO 0.37 -0.52 0.76 -2.30 -0.76 0.00 0.00 175.35 172.90 3g58 n PRO 491 N -2.43 0.80 -0.34 -1.68 -0.02 -1.26 -4.56 135.00 125.51 3g58 n PRO 491 Ca 0.03 0.28 0.11 0.00 -2.02 0.00 0.00 63.50 61.91 3g58 n PRO 491 Cb 0.57 -1.55 0.31 0.00 -0.02 0.00 0.00 33.50 32.82 3g58 n PRO 491 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3g58 h LEU 492 N 1.40 0.80 -1.39 2.45 5.85 -1.94 0.10 115.31 122.57 3g58 h LEU 492 Ca -0.37 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 3g58 h LEU 492 Cb 1.38 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 3g58 h LEU 492 CO 0.57 0.35 0.14 -0.61 -0.34 0.00 0.00 178.44 178.55 3g58 h GLN 493 N 0.81 0.55 0.01 1.25 -0.00 -2.00 -0.22 115.11 115.51 3g58 h GLN 493 Ca 0.53 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.65 59.10 3g58 h GLN 493 Cb 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.13 3g58 h GLN 493 CO -0.31 0.47 -0.00 -0.07 0.00 0.00 0.00 178.83 178.92 3g58 h LEU 494 N 0.55 -0.01 -0.64 -2.39 3.38 -1.34 -3.30 115.31 111.56 3g58 h LEU 494 Ca 0.13 -0.75 0.13 0.00 0.09 0.00 0.00 57.88 57.49 3g58 h LEU 494 Cb 0.14 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.78 3g58 h LEU 494 CO -0.01 0.76 -0.03 0.22 0.09 0.00 0.00 178.44 179.47 3g58 h TYR 495 N -0.79 -0.09 -0.55 1.13 3.20 -0.99 -1.80 116.97 117.07 3g58 h TYR 495 Ca -0.00 0.05 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 3g58 h TYR 495 Cb 0.76 0.14 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 3g58 h TYR 495 CO 0.19 -0.20 0.18 0.00 -1.64 0.00 0.00 178.16 176.70 3g58 h ARG 496 N 0.09 0.81 -0.66 1.82 3.08 -1.18 0.15 114.38 118.51 3g58 h ARG 496 Ca 0.33 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 3g58 h ARG 496 Cb 0.54 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 3g58 h ARG 496 CO -0.57 0.70 0.20 1.96 -1.07 0.00 0.00 179.97 181.18 3g58 h GLN 497 N 0.80 1.03 -0.59 0.04 4.20 -1.45 -0.91 115.11 118.23 3g58 h GLN 497 Ca 0.18 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3g58 h GLN 497 Cb 0.22 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3g58 h GLN 497 CO -0.01 0.90 0.32 -1.49 -0.67 0.00 0.00 178.83 177.89 3g58 h TRP 498 N 0.96 0.82 -0.28 2.96 -0.00 -0.53 -1.85 115.95 118.02 3g58 h TRP 498 Ca 0.21 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 59.06 3g58 h TRP 498 Cb 0.31 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.16 29.20 3g58 h TRP 498 CO 0.02 0.59 0.09 1.15 -0.00 0.00 0.00 178.44 180.30 3g58 h THR 499 N 0.80 1.19 -0.61 1.49 2.02 -0.73 -1.15 112.91 115.92 3g58 h THR 499 Ca 0.21 -0.61 0.01 0.00 0.77 0.00 0.00 66.41 66.79 3g58 h THR 499 Cb 0.05 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3g58 h THR 499 CO -0.03 0.20 0.41 0.44 0.37 0.00 0.00 175.52 176.91 3g58 h ASP 500 N 0.29 0.69 -0.13 4.18 3.32 -1.06 -1.67 116.42 122.04 3g58 h ASP 500 Ca 0.09 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 3g58 h ASP 500 Cb 0.22 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3g58 h ASP 500 CO -0.00 0.49 -0.28 0.03 -1.72 0.00 0.00 179.24 177.76 3g58 h ARG 501 N 0.81 0.42 -0.29 3.56 3.08 -0.71 -2.10 114.38 119.14 3g58 h ARG 501 Ca 0.23 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 3g58 h ARG 501 Cb -0.06 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3g58 h ARG 501 CO -0.05 0.88 -0.23 0.97 -1.07 0.00 0.00 179.97 180.47 3g58 h ILE 502 N 0.02 1.27 -0.67 2.04 2.10 -1.01 -1.42 117.51 119.83 3g58 h ILE 502 Ca 0.00 -1.27 -0.06 0.00 1.08 0.00 0.00 64.86 64.61 3g58 h ILE 502 Cb 0.88 1.30 -0.03 0.00 -1.09 0.00 0.00 36.82 37.88 3g58 h ILE 502 CO 0.06 0.41 0.20 0.24 -1.08 0.00 0.00 178.15 177.98 3g58 h MET 503 N 0.50 1.05 -0.41 2.19 2.86 -1.31 0.13 114.93 119.93 3g58 h MET 503 Ca 0.07 -0.23 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3g58 h MET 503 Cb 0.67 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.16 3g58 h MET 503 CO 0.05 0.92 0.25 1.49 1.06 0.00 0.00 176.91 180.67 3g58 h GLU 504 N 0.98 0.48 -0.20 1.72 4.81 -1.05 0.81 114.58 122.13 3g58 h GLU 504 Ca 0.21 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3g58 h GLU 504 Cb 0.32 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 3g58 h GLU 504 CO -0.00 0.32 0.11 1.49 -0.73 0.00 0.00 179.01 180.19 3g58 h GLU 505 N 0.50 0.28 -0.22 1.92 4.81 -0.84 -1.89 114.58 119.14 3g58 h GLU 505 Ca 0.16 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 3g58 h GLU 505 Cb -0.01 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3g58 h GLU 505 CO -0.07 0.28 0.14 0.74 -0.73 0.00 0.00 179.01 179.37 3g58 h PHE 506 N 0.21 0.26 -0.59 0.92 0.04 -0.56 -2.00 116.94 115.22 3g58 h PHE 506 Ca 0.07 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 3g58 h PHE 506 Cb 0.08 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 3g58 h PHE 506 CO -0.03 0.16 0.32 0.74 -0.60 0.00 0.00 178.31 178.89 3g58 h PHE 507 N 0.28 0.79 -0.51 -0.55 0.04 -0.76 0.40 116.94 116.64 3g58 h PHE 507 Ca 0.08 -0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.77 3g58 h PHE 507 Cb -0.02 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 37.86 3g58 h PHE 507 CO -0.07 0.56 0.03 -0.09 -0.60 0.00 0.00 178.31 178.14 3g58 h ARG 508 N 0.82 0.88 -0.50 1.51 9.65 -1.00 0.73 114.38 126.47 3g58 h ARG 508 Ca 0.21 -0.26 0.04 0.00 -1.10 0.00 0.00 59.98 58.86 3g58 h ARG 508 Cb 0.03 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 28.48 3g58 h ARG 508 CO -0.03 0.89 0.26 0.37 2.80 0.00 0.00 179.97 184.26 3g58 h GLN 509 N 0.75 0.50 -0.75 0.20 4.15 -0.58 -1.57 115.11 117.81 3g58 h GLN 509 Ca 0.15 -0.03 0.06 0.00 0.77 0.00 0.00 58.65 59.60 3g58 h GLN 509 Cb 0.47 -0.11 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 3g58 h GLN 509 CO 0.02 0.33 0.44 0.78 -1.93 0.00 0.00 178.83 178.47 3g58 h GLY 510 N 0.52 1.12 1.39 2.39 0.00 -0.60 0.52 103.07 108.40 3g58 h GLY 510 Ca 0.22 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 3g58 h GLY 510 CO -0.14 0.20 0.23 -0.55 0.00 0.00 0.00 176.54 176.28 3g58 h ASP 511 N 0.81 0.72 -0.16 0.19 3.32 -0.41 0.12 116.42 121.00 3g58 h ASP 511 Ca 0.33 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 3g58 h ASP 511 Cb 0.19 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3g58 h ASP 511 CO -0.18 0.64 -0.12 0.03 -1.72 0.00 0.00 179.24 177.89 3g58 h ARG 512 N 0.78 0.35 -0.57 3.56 3.08 -0.48 -1.83 114.38 119.28 3g58 h ARG 512 Ca 0.19 -0.17 0.04 0.00 0.07 0.00 0.00 59.98 60.11 3g58 h ARG 512 Cb 0.14 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.15 3g58 h ARG 512 CO -0.02 0.71 0.32 0.93 -1.07 0.00 0.00 179.97 180.84 3g58 h GLU 513 N 0.00 0.60 0.31 0.04 5.08 -0.67 -2.10 114.58 117.84 3g58 h GLU 513 Ca 0.03 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3g58 h GLU 513 Cb 0.63 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3g58 h GLU 513 CO 0.03 0.40 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.20 3g58 h ARG 514 N 0.62 -0.40 0.00 2.33 2.43 -0.68 0.14 114.38 118.82 3g58 h ARG 514 Ca 0.24 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 3g58 h ARG 514 Cb 0.09 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 3g58 h ARG 514 CO -0.14 -0.20 -0.01 1.05 -1.51 0.00 0.00 179.97 179.17 3g58 h GLU 515 N -0.52 0.00 -0.03 0.20 4.11 -1.27 -0.94 114.58 116.14 3g58 h GLU 515 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 3g58 h GLU 515 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3g58 h GLU 515 CO 0.07 0.01 0.00 0.54 0.07 0.00 0.00 179.01 179.70 3g58 n ARG 516 N -3.63 1.80 -1.79 1.06 1.74 -0.80 -4.94 116.66 110.12 3g58 n ARG 516 Ca -0.03 -1.17 -0.08 0.00 -0.77 0.00 0.00 57.85 55.80 3g58 n ARG 516 Cb 0.10 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.05 3g58 n ARG 516 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g58 n GLY 517 N 1.21 0.42 3.94 -0.13 0.00 -0.36 -5.04 105.19 105.24 3g58 n GLY 517 Ca 0.18 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.36 3g58 n GLY 517 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g58 s MET 518 N -3.72 3.50 0.29 1.61 -1.94 0.45 -5.03 119.30 114.46 3g58 s MET 518 Ca 0.00 -0.31 -0.30 0.00 -1.71 0.00 0.00 55.69 53.37 3g58 s MET 518 Cb 0.00 -2.67 -0.11 0.00 2.01 0.00 0.00 34.83 34.06 3g58 s MET 518 CO 0.00 0.17 1.54 -2.00 -0.01 0.00 0.00 175.02 174.72 3g58 s GLU 519 N -4.19 4.17 -0.06 2.03 2.12 -1.26 -4.33 118.70 117.17 3g58 s GLU 519 Ca 0.40 2.49 -0.30 0.00 0.36 0.00 0.00 54.97 57.93 3g58 s GLU 519 Cb -0.10 -3.04 -0.02 0.00 0.26 0.00 0.00 34.13 31.23 3g58 s GLU 519 CO 0.35 -0.56 1.00 0.42 -0.54 0.00 0.00 175.26 175.93 3g58 s ILE 520 N -0.13 4.82 0.82 -3.70 1.01 -1.26 -4.88 121.20 117.88 3g58 s ILE 520 Ca 0.61 2.05 -0.11 0.00 0.00 0.00 0.00 60.65 63.20 3g58 s ILE 520 Cb -0.46 -4.32 0.09 0.00 0.01 0.00 0.00 42.46 37.79 3g58 s ILE 520 CO 0.48 0.06 1.12 -0.44 0.00 0.00 0.00 174.94 176.17 3g58 s SER 521 N 1.06 3.85 0.25 3.58 0.01 -1.26 -4.90 113.70 116.29 3g58 s SER 521 Ca 0.50 2.02 -0.31 0.00 1.31 0.00 0.00 55.95 59.47 3g58 s SER 521 Cb -0.19 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.37 3g58 s SER 521 CO 0.22 -2.48 1.64 -2.65 0.41 0.00 0.00 173.24 170.37 3g58 n PRO 522 N -3.72 2.68 -0.87 12.44 -0.02 -1.26 -2.27 135.00 141.98 3g58 n PRO 522 Ca 0.11 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.55 3g58 n PRO 522 Cb 0.52 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.24 3g58 n PRO 522 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 3g58 n MET 523 N 2.91 0.00 -0.06 -0.52 1.56 -1.26 -4.89 117.12 114.86 3g58 n MET 523 Ca 0.12 0.00 0.08 0.00 -0.27 0.00 0.00 57.70 57.63 3g58 n MET 523 Cb 0.35 -2.40 0.10 0.00 2.15 0.00 0.00 33.22 33.43 3g58 n MET 523 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3g58 s ASP 525 N -1.21 6.13 0.59 0.00 -1.08 -1.26 -3.45 116.67 116.39 3g58 s ASP 525 Ca 0.21 -1.56 0.39 0.00 -0.52 0.00 0.00 52.55 51.08 3g58 s ASP 525 Cb 0.14 -2.18 2.11 0.00 -1.46 0.00 0.00 42.92 41.53 3g58 s ASP 525 CO 0.20 -0.74 2.21 0.07 0.52 0.00 0.00 175.17 177.43 3g58 h LYS 526 N 8.79 0.00 -0.00 4.34 2.10 -1.90 -1.97 116.57 127.93 3g58 h LYS 526 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 3g58 h LYS 526 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3g58 h LYS 526 CO 0.94 0.00 -0.38 0.72 -2.00 0.00 0.00 179.45 178.73 3g58 n HIS 527 N -2.91 0.00 -3.16 0.07 8.25 -1.26 -4.24 115.22 111.97 3g58 n HIS 527 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 3g58 n HIS 527 Cb 0.08 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 30.96 3g58 n HIS 527 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3g58 n ASN 528 N -1.13 0.33 -4.54 0.41 3.02 -0.74 -5.11 115.26 107.49 3g58 n ASN 528 Ca 0.09 -2.91 -0.30 0.00 -0.03 0.00 0.00 54.58 51.42 3g58 n ASN 528 Cb 0.34 -0.46 -0.11 0.00 -0.61 0.00 0.00 39.78 38.94 3g58 n ASN 528 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g58 s ALA 529 N -1.72 2.84 -0.45 5.41 0.00 -1.21 -4.78 121.76 121.86 3g58 s ALA 529 Ca 0.37 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 51.18 3g58 s ALA 529 Cb 0.27 -0.87 0.20 0.00 0.00 0.00 0.00 23.12 22.72 3g58 s ALA 529 CO -0.10 0.61 0.44 0.43 0.00 0.00 0.00 175.76 177.15 3g58 n SER 530 N 1.09 0.36 -0.16 0.00 7.64 -1.26 -5.04 113.62 116.26 3g58 n SER 530 Ca -0.15 -2.63 -0.04 0.00 1.01 0.00 0.00 58.87 57.07 3g58 n SER 530 Cb 0.52 -0.61 0.05 0.00 -1.01 0.00 0.00 64.21 63.17 3g58 n SER 530 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3g58 h VAL 531 N 3.71 0.88 -0.20 0.44 2.07 -1.99 -0.86 116.25 120.29 3g58 h VAL 531 Ca 0.19 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 3g58 h VAL 531 Cb 0.87 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 3g58 h VAL 531 CO 0.47 0.07 -0.00 -0.33 0.02 0.00 0.00 177.57 177.79 3g58 h GLU 532 N 0.39 0.36 -0.83 1.57 3.07 -1.89 -1.32 114.58 115.93 3g58 h GLU 532 Ca 0.23 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 58.95 3g58 h GLU 532 Cb 0.20 -0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.04 3g58 h GLU 532 CO -0.21 0.56 0.43 -0.22 -1.40 0.00 0.00 179.01 178.18 3g58 h LYS 533 N 0.12 1.17 -0.29 2.33 3.64 -1.76 -2.14 116.57 119.64 3g58 h LYS 533 Ca 0.06 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.19 3g58 h LYS 533 Cb 0.40 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3g58 h LYS 533 CO 0.01 0.87 -0.25 0.77 -2.27 0.00 0.00 179.45 178.59 3g58 h SER 534 N 1.17 0.58 -0.60 4.20 0.02 -0.91 -1.67 113.55 116.33 3g58 h SER 534 Ca 0.29 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3g58 h SER 534 Cb 0.06 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 3g58 h SER 534 CO -0.04 0.82 0.25 1.56 -1.14 0.00 0.00 176.83 178.27 3g58 h GLN 535 N 0.50 0.89 -0.85 3.45 1.08 -0.83 1.00 115.11 120.34 3g58 h GLN 535 Ca 0.07 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 3g58 h GLN 535 Cb 0.70 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.94 3g58 h GLN 535 CO 0.05 0.75 0.47 0.28 -0.95 0.00 0.00 178.83 179.43 3g58 h VAL 536 N 0.82 1.25 -0.33 -0.54 2.07 -1.12 -0.31 116.25 118.09 3g58 h VAL 536 Ca 0.20 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 3g58 h VAL 536 Cb 0.19 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 3g58 h VAL 536 CO -0.02 0.28 0.04 1.23 0.02 0.00 0.00 177.57 179.11 3g58 h GLY 537 N 1.21 0.60 0.68 2.17 0.00 -0.91 0.90 103.07 107.72 3g58 h GLY 537 Ca 0.30 -0.41 0.05 0.00 0.00 0.00 0.00 47.33 47.27 3g58 h GLY 537 CO -0.05 0.38 0.28 -2.75 0.00 0.00 0.00 176.54 174.41 3g58 h PHE 538 N 0.38 0.52 0.05 5.60 3.57 -0.48 0.46 116.94 127.04 3g58 h PHE 538 Ca 0.10 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3g58 h PHE 538 Cb 0.38 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3g58 h PHE 538 CO 0.03 0.24 -0.02 0.82 -2.23 0.00 0.00 178.31 177.15 3g58 h ILE 539 N 0.54 1.16 -0.61 1.41 2.04 -0.84 -1.17 117.51 120.04 3g58 h ILE 539 Ca 0.25 -0.67 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 3g58 h ILE 539 Cb 0.17 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3g58 h ILE 539 CO -0.18 0.17 0.06 0.44 0.00 0.00 0.00 178.15 178.64 3g58 h ASP 540 N -0.36 0.98 0.29 1.72 3.32 -0.50 0.11 116.42 121.99 3g58 h ASP 540 Ca -0.01 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.71 3g58 h ASP 540 Cb 0.33 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3g58 h ASP 540 CO 0.01 1.00 -1.79 -1.22 -1.72 0.00 0.00 179.24 175.51 3g58 n TYR 541 N -4.21 0.34 0.06 4.55 4.02 0.13 -4.51 117.16 117.54 3g58 n TYR 541 Ca 0.04 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 58.03 3g58 n TYR 541 Cb 0.30 -0.77 0.00 0.00 -0.02 0.00 0.00 39.34 38.86 3g58 n TYR 541 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3g58 n ILE 542 N -2.53 1.01 -0.03 -0.72 2.08 -0.58 -4.76 119.36 113.83 3g58 n ILE 542 Ca -0.09 0.34 -0.15 0.00 0.56 0.00 0.00 62.75 63.40 3g58 n ILE 542 Cb 0.72 -1.40 -0.09 0.00 -0.75 0.00 0.00 39.64 38.12 3g58 n ILE 542 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3g58 h VAL 543 N 0.00 1.40 -0.29 1.39 2.07 -1.21 -2.81 116.25 116.80 3g58 h VAL 543 Ca 0.00 -1.69 -0.08 0.00 0.82 0.00 0.00 66.70 65.75 3g58 h VAL 543 Cb 0.00 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3g58 h VAL 543 CO 0.00 0.49 -0.14 -0.74 0.02 0.00 0.00 177.57 177.20 3g58 h HIS 544 N -0.07 0.69 -0.96 1.57 -0.00 -1.00 -0.89 115.15 114.49 3g58 h HIS 544 Ca -0.02 -0.17 0.04 0.00 -0.00 0.00 0.00 60.37 60.22 3g58 h HIS 544 Cb 0.97 -0.16 -0.06 0.00 -0.00 0.00 0.00 27.41 28.16 3g58 h HIS 544 CO 0.12 0.84 0.62 -1.35 -0.00 0.00 0.00 177.93 178.16 3g58 h PRO 545 N 0.35 1.17 -0.01 5.26 0.11 -1.76 0.98 132.00 138.10 3g58 h PRO 545 Ca 0.06 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3g58 h PRO 545 Cb 0.66 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.51 3g58 h PRO 545 CO 0.04 0.77 -0.00 1.25 -0.21 0.00 0.00 178.00 179.85 3g58 h LEU 546 N 1.20 0.01 -0.78 2.35 5.85 -1.39 -2.83 115.31 119.72 3g58 h LEU 546 Ca 0.38 -0.32 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 3g58 h LEU 546 Cb 0.02 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3g58 h LEU 546 CO -0.13 0.33 -0.59 -0.50 -0.34 0.00 0.00 178.44 177.21 3g58 h TRP 547 N -0.30 0.07 -0.71 1.25 4.06 -1.02 -1.27 115.95 118.04 3g58 h TRP 547 Ca 0.00 -0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 3g58 h TRP 547 Cb 0.32 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.43 3g58 h TRP 547 CO 0.03 0.64 0.33 1.49 -3.56 0.00 0.00 178.44 177.37 3g58 h GLU 548 N 0.04 1.01 -0.01 0.49 4.81 -0.84 0.39 114.58 120.47 3g58 h GLU 548 Ca -0.01 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 58.97 3g58 h GLU 548 Cb 1.06 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 30.26 3g58 h GLU 548 CO 0.08 0.78 -0.44 1.15 -0.73 0.00 0.00 179.01 179.85 3g58 h THR 549 N 1.00 1.47 -0.52 0.32 2.02 -1.20 -2.27 112.91 113.72 3g58 h THR 549 Ca 0.24 -1.98 0.10 0.00 0.77 0.00 0.00 66.41 65.55 3g58 h THR 549 Cb 0.11 2.61 -0.09 0.00 -1.74 0.00 0.00 68.15 69.04 3g58 h THR 549 CO -0.03 0.56 0.01 -0.25 0.37 0.00 0.00 175.52 176.19 3g58 h TRP 550 N -0.24 -0.01 -0.58 3.16 2.91 -1.14 -1.45 115.95 118.59 3g58 h TRP 550 Ca -0.05 0.04 0.03 0.00 1.13 0.00 0.00 58.89 60.03 3g58 h TRP 550 Cb 1.16 0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 29.86 3g58 h TRP 550 CO 0.15 -0.11 0.39 0.00 -1.03 0.00 0.00 178.44 177.84 3g58 h ALA 551 N 1.46 1.67 -0.32 2.65 0.00 -0.83 -0.91 119.26 122.99 3g58 h ALA 551 Ca 0.27 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 3g58 h ALA 551 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3g58 h ALA 551 CO -0.43 0.27 0.02 -0.44 0.00 0.00 0.00 179.25 178.67 3g58 h ASP 552 N 0.70 0.54 -0.86 0.00 3.32 -0.77 -0.19 116.42 119.16 3g58 h ASP 552 Ca 0.23 -0.29 0.06 0.00 0.02 0.00 0.00 57.03 57.05 3g58 h ASP 552 Cb 0.05 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.39 3g58 h ASP 552 CO -0.06 0.70 0.53 0.25 -1.72 0.00 0.00 179.24 178.94 3g58 h LEU 553 N 0.36 0.83 -3.38 1.55 5.85 -0.18 -2.95 115.31 117.39 3g58 h LEU 553 Ca 0.09 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3g58 h LEU 553 Cb 0.41 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3g58 h LEU 553 CO 0.01 0.53 0.03 1.33 -0.34 0.00 0.00 178.44 180.00 3g58 n VAL 554 N -4.62 2.48 -1.66 1.05 0.24 -0.63 -4.98 118.33 110.21 3g58 n VAL 554 Ca 0.12 -1.88 -0.45 0.00 -2.04 0.00 0.00 64.34 60.10 3g58 n VAL 554 Cb 0.18 -0.28 -0.02 0.00 -1.47 0.00 0.00 33.84 32.24 3g58 n VAL 554 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3g58 n HIS 555 N -0.37 2.06 -1.04 6.34 -0.00 -0.09 -0.66 115.22 121.46 3g58 n HIS 555 Ca 0.26 0.49 -0.10 0.00 -0.00 0.00 0.00 57.72 58.38 3g58 n HIS 555 Cb 1.03 -2.42 0.28 0.00 -0.00 0.00 0.00 29.99 28.87 3g58 n HIS 555 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3g58 n PRO 556 N 1.68 3.42 -0.24 1.57 -0.04 -1.26 -4.97 135.00 135.16 3g58 n PRO 556 Ca 0.11 -3.02 0.05 0.00 -0.04 0.00 0.00 63.50 60.59 3g58 n PRO 556 Cb 0.32 -2.20 0.29 0.00 -0.04 0.00 0.00 33.50 31.86 3g58 n PRO 556 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3g58 h ASP 557 N 2.32 0.80 -0.52 3.54 3.32 -1.17 -2.51 116.42 122.20 3g58 h ASP 557 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 3g58 h ASP 557 Cb 2.44 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 41.83 3g58 h ASP 557 CO 0.82 0.52 0.00 0.00 -1.72 0.00 0.00 179.24 178.85 3g58 n ALA 558 N -2.42 2.95 -0.35 3.45 0.00 -1.26 -4.59 120.51 118.29 3g58 n ALA 558 Ca 0.12 -1.24 -0.03 0.00 0.00 0.00 0.00 53.44 52.29 3g58 n ALA 558 Cb 0.20 -1.02 0.10 0.00 0.00 0.00 0.00 19.45 18.72 3g58 n ALA 558 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3g58 h GLN 559 N 3.27 1.26 -0.04 0.00 5.75 -1.81 -1.98 115.11 121.56 3g58 h GLN 559 Ca 0.00 -0.10 -0.11 0.00 -0.15 0.00 0.00 58.65 58.29 3g58 h GLN 559 Cb 1.18 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 29.45 3g58 h GLN 559 CO 0.18 0.87 -0.47 -0.44 -2.65 0.00 0.00 178.83 176.32 3g58 h ASP 560 N 1.29 0.10 -0.17 -0.69 3.32 -1.85 -1.44 116.42 116.98 3g58 h ASP 560 Ca 0.34 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 3g58 h ASP 560 Cb -0.08 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 3g58 h ASP 560 CO -0.07 0.57 0.08 0.40 -1.72 0.00 0.00 179.24 178.50 3g58 h ILE 561 N 0.08 1.13 -0.78 0.35 2.04 -1.74 -1.36 117.51 117.23 3g58 h ILE 561 Ca 0.00 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 3g58 h ILE 561 Cb 0.87 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 3g58 h ILE 561 CO 0.07 0.12 0.31 0.25 0.00 0.00 0.00 178.15 178.90 3g58 h LEU 562 N 0.15 1.07 -0.55 1.44 5.85 -1.19 -2.05 115.31 120.04 3g58 h LEU 562 Ca 0.06 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3g58 h LEU 562 Cb 0.12 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 3g58 h LEU 562 CO -0.01 0.95 0.36 0.44 -0.34 0.00 0.00 178.44 179.84 3g58 h ASP 563 N 1.12 0.62 -0.58 1.25 3.32 -1.10 -2.03 116.42 119.02 3g58 h ASP 563 Ca 0.26 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 3g58 h ASP 563 Cb 0.21 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3g58 h ASP 563 CO -0.02 0.45 0.15 0.74 -1.72 0.00 0.00 179.24 178.84 3g58 h THR 564 N 0.74 1.25 -0.32 0.35 2.02 -0.99 -1.28 112.91 114.67 3g58 h THR 564 Ca 0.20 -0.88 0.06 0.00 0.77 0.00 0.00 66.41 66.56 3g58 h THR 564 Cb -0.08 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 66.98 3g58 h THR 564 CO -0.05 0.33 -0.06 0.25 0.37 0.00 0.00 175.52 176.36 3g58 h LEU 565 N 0.84 -0.25 -0.59 2.58 5.85 -1.15 0.17 115.31 122.76 3g58 h LEU 565 Ca 0.18 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 3g58 h LEU 565 Cb 0.34 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3g58 h LEU 565 CO 0.00 -0.09 0.12 -0.33 -0.34 0.00 0.00 178.44 177.80 3g58 h GLU 566 N 0.03 0.96 -0.96 1.25 5.08 -1.12 0.32 114.58 120.14 3g58 h GLU 566 Ca 0.16 -0.25 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3g58 h GLU 566 Cb 0.23 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.31 3g58 h GLU 566 CO -0.31 0.90 0.64 -0.44 -1.00 0.00 0.00 179.01 178.79 3g58 h ASP 567 N 0.87 1.10 -0.37 1.42 3.32 -0.68 -2.47 116.42 119.60 3g58 h ASP 567 Ca 0.18 -0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 3g58 h ASP 567 Cb 0.39 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3g58 h ASP 567 CO 0.01 0.79 -0.24 0.78 -1.72 0.00 0.00 179.24 178.85 3g58 h ASN 568 N 1.29 0.90 -0.86 6.45 2.35 -0.05 -2.12 115.58 123.54 3g58 h ASN 568 Ca 0.36 -0.34 0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3g58 h ASN 568 Cb -0.13 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 37.93 3g58 h ASN 568 CO -0.08 1.10 0.54 -0.09 -1.65 0.00 0.00 177.43 177.25 3g58 h ARG 569 N 0.76 1.00 -0.28 0.81 2.43 -0.69 -2.42 114.38 115.98 3g58 h ARG 569 Ca 0.10 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.09 3g58 h ARG 569 Cb 0.79 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 3g58 h ARG 569 CO 0.07 0.66 -0.31 0.93 -1.51 0.00 0.00 179.97 179.80 3g58 h GLU 570 N 1.03 0.59 -0.09 0.20 4.39 -1.10 -0.91 114.58 118.69 3g58 h GLU 570 Ca 0.36 -0.26 0.01 0.00 0.34 0.00 0.00 59.36 59.80 3g58 h GLU 570 Cb 0.09 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3g58 h GLU 570 CO -0.14 0.84 0.04 2.35 -1.16 0.00 0.00 179.01 180.93 3g58 h TRP 571 N 0.51 0.07 -0.59 4.33 7.01 -0.95 -1.44 115.95 124.89 3g58 h TRP 571 Ca 0.06 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 3g58 h TRP 571 Cb 0.79 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.81 3g58 h TRP 571 CO 0.03 0.04 0.20 1.88 -2.79 0.00 0.00 178.44 177.80 3g58 h TYR 572 N 0.08 0.94 -0.74 2.65 0.05 -1.28 -2.66 116.97 116.02 3g58 h TYR 572 Ca 0.04 -0.09 0.15 0.00 0.05 0.00 0.00 58.73 58.87 3g58 h TYR 572 Cb 0.01 -0.27 -0.10 0.00 1.01 0.00 0.00 36.73 37.38 3g58 h TYR 572 CO -0.09 0.77 0.25 0.37 -1.05 0.00 0.00 178.16 178.41 3g58 h GLN 573 N 0.83 0.36 0.00 4.88 5.75 -1.03 -1.97 115.11 123.93 3g58 h GLN 573 Ca 0.19 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3g58 h GLN 573 Cb 0.26 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.73 3g58 h GLN 573 CO -0.01 0.24 0.00 -1.13 -2.65 0.00 0.00 178.83 175.28 3g58 n SER 574 N -5.06 0.00 -0.60 -0.69 3.41 -0.55 -2.72 113.62 107.41 3g58 n SER 574 Ca 0.14 0.33 0.06 0.00 -0.26 0.00 0.00 58.87 59.14 3g58 n SER 574 Cb 0.42 -0.44 0.17 0.00 -0.26 0.00 0.00 64.21 64.11 3g58 n SER 574 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3g58 n THR 575 N -1.44 1.49 -2.30 6.66 -2.24 -0.76 -4.96 114.28 110.74 3g58 n THR 575 Ca 0.07 -1.38 -0.42 0.00 -2.27 0.00 0.00 64.05 60.05 3g58 n THR 575 Cb 0.25 0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 3g58 n THR 575 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3g58 s ILE 576 N -1.74 3.93 0.62 2.28 1.01 -1.10 -4.88 121.20 121.32 3g58 s ILE 576 Ca 0.27 1.26 -0.19 0.00 0.00 0.00 0.00 60.65 61.99 3g58 s ILE 576 Cb 0.19 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 3g58 s ILE 576 CO 0.11 -0.03 1.31 -2.84 0.00 0.00 0.00 174.94 173.49 3g58 s PRO 577 N 2.68 2.72 -0.79 2.79 0.02 -1.26 -5.09 135.00 136.06 3g58 s PRO 577 Ca 0.61 2.11 -0.27 0.00 0.02 0.00 0.00 61.00 63.47 3g58 s PRO 577 Cb -0.28 -1.96 -0.24 0.00 0.02 0.00 0.00 34.50 32.04 3g58 s PRO 577 CO 0.24 -1.48 1.93 0.00 -0.33 0.00 0.00 177.00 177.35 3g58 n GLN 578 N -1.66 0.47 -3.62 5.54 0.00 -1.26 -5.13 117.38 111.71 3g58 n GLN 578 Ca 0.14 -1.67 -0.10 0.00 0.00 0.00 0.00 57.00 55.38 3g58 n GLN 578 Cb 0.47 -3.44 -0.06 0.00 0.00 0.00 0.00 30.24 27.21 3g58 n GLN 578 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3g58 s GLY 593 N 7.45 -0.18 0.15 2.61 0.00 -1.26 -5.31 107.32 110.79 3g58 s GLY 593 Ca 0.74 2.50 -0.12 0.00 0.00 0.00 0.00 44.72 47.84 3g58 s GLY 593 CO 0.22 1.61 1.62 -1.61 0.00 0.00 0.00 173.10 174.93 3g58 h GLN 594 N 3.72 0.88 -0.57 2.90 4.15 -1.99 0.22 115.11 124.42 3g58 h GLN 594 Ca -0.25 -0.27 0.01 0.00 0.77 0.00 0.00 58.65 58.91 3g58 h GLN 594 Cb 1.17 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.75 3g58 h GLN 594 CO 0.17 0.90 0.37 1.15 -1.93 0.00 0.00 178.83 179.49 3g58 h THR 595 N 0.75 1.14 -0.43 2.39 2.02 -1.98 0.13 112.91 116.93 3g58 h THR 595 Ca 0.15 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.07 3g58 h THR 595 Cb 0.48 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3g58 h THR 595 CO 0.02 0.14 0.27 -0.33 0.37 0.00 0.00 175.52 175.99 3g58 h GLU 596 N 0.76 0.57 -0.74 6.66 3.07 -1.88 -2.75 114.58 120.27 3g58 h GLU 596 Ca 0.21 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.99 3g58 h GLU 596 Cb -0.08 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 27.68 3g58 h GLU 596 CO -0.05 0.40 0.33 0.87 -1.40 0.00 0.00 179.01 179.16 3g58 h LYS 597 N 0.57 1.08 -0.73 2.33 1.57 -0.25 -2.67 116.57 118.47 3g58 h LYS 597 Ca 0.15 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3g58 h LYS 597 Cb -0.03 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.05 3g58 h LYS 597 CO -0.03 0.85 0.47 0.35 -0.57 0.00 0.00 179.45 180.53 3g58 h PHE 598 N 1.07 0.92 0.00 -1.35 3.04 -0.55 -2.92 116.94 117.15 3g58 h PHE 598 Ca 0.25 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.22 3g58 h PHE 598 Cb 0.15 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.35 3g58 h PHE 598 CO 0.01 0.59 0.00 1.04 -2.02 0.00 0.00 178.31 177.93 3g58 n GLN 599 N -4.42 0.68 0.25 1.11 6.02 -1.01 -0.41 117.38 119.60 3g58 n GLN 599 Ca 0.08 0.00 0.15 0.00 -0.01 0.00 0.00 57.00 57.22 3g58 n GLN 599 Cb 0.04 -1.42 0.47 0.00 1.02 0.00 0.00 30.24 30.35 3g58 n GLN 599 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 3g58 h PHE 600 N 0.00 0.00 0.00 1.08 -1.00 -1.63 -3.01 116.94 112.38 3g58 h PHE 600 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3g58 h PHE 600 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 3g58 h PHE 600 CO 0.00 0.00 0.00 0.93 -1.61 0.00 0.00 178.31 177.63 3g58 h GLU 601 N 0.00 0.00 -0.56 1.51 4.39 -0.94 -3.12 114.58 115.86 3g58 h GLU 601 Ca 0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 3g58 h GLU 601 Cb 0.71 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.29 3g58 h GLU 601 CO 0.00 0.00 0.12 1.28 -1.16 0.00 0.00 179.01 179.25 3g58 n LEU 602 N -2.67 5.32 0.00 1.33 7.99 -1.14 -2.54 117.00 125.30 3g58 n LEU 602 Ca 0.00 -3.17 0.00 0.00 -0.01 0.00 0.00 56.01 52.83 3g58 n LEU 602 Cb 0.20 -0.68 0.00 0.00 -0.11 0.00 0.00 43.42 42.83 3g58 n LEU 602 CO 0.21 0.78 0.00 1.07 -1.51 0.00 0.00 177.39 177.94