#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g58 h GLU 253 N 0.00 0.00 -0.65 -0.78 4.57 -2.06 -3.07 114.58 112.60 3g58 h GLU 253 Ca 0.00 0.00 0.19 0.00 -1.18 0.00 0.00 59.36 58.37 3g58 h GLU 253 Cb 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 3g58 h GLU 253 CO 0.00 0.00 0.49 -0.56 -1.18 0.00 0.00 179.01 177.76 3g58 h GLN 254 N -0.40 0.00 0.57 1.92 -0.00 -1.99 -1.95 115.11 113.26 3g58 h GLN 254 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 3g58 h GLN 254 Cb 0.09 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.57 3g58 h GLN 254 CO 0.00 0.00 -0.33 1.49 -0.00 0.00 0.00 178.83 179.99 3g58 h GLU 255 N 0.00 -0.82 -0.86 0.06 4.81 -1.96 0.11 114.58 115.93 3g58 h GLU 255 Ca 0.31 0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.62 3g58 h GLU 255 Cb 1.28 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.80 3g58 h GLU 255 CO -0.00 -0.55 0.56 -0.44 -0.73 0.00 0.00 179.01 177.86 3g58 h ASP 256 N -0.85 0.94 0.06 1.04 3.32 -1.27 -2.61 116.42 117.06 3g58 h ASP 256 Ca -0.07 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3g58 h ASP 256 Cb 0.68 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3g58 h ASP 256 CO 0.08 0.66 -0.03 0.58 -1.72 0.00 0.00 179.24 178.82 3g58 h VAL 257 N 1.10 1.21 -0.37 -1.35 2.07 -1.10 -0.89 116.25 116.93 3g58 h VAL 257 Ca 0.33 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.92 3g58 h VAL 257 Cb -0.04 1.83 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 3g58 h VAL 257 CO -0.09 0.24 0.15 0.25 0.02 0.00 0.00 177.57 178.14 3g58 h LEU 258 N -0.52 0.19 -0.86 2.57 5.85 -1.00 -1.32 115.31 120.22 3g58 h LEU 258 Ca -0.01 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3g58 h LEU 258 Cb 0.45 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.45 3g58 h LEU 258 CO 0.01 0.15 0.49 0.00 -0.34 0.00 0.00 178.44 178.75 3g58 h ALA 259 N 1.22 1.10 -0.46 1.25 0.00 -1.42 -1.23 119.26 119.72 3g58 h ALA 259 Ca 0.16 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3g58 h ALA 259 Cb 0.11 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3g58 h ALA 259 CO -0.15 0.60 0.23 -0.22 0.00 0.00 0.00 179.25 179.71 3g58 h LYS 260 N 1.20 0.66 -0.96 0.00 1.63 -0.76 -2.58 116.57 115.76 3g58 h LYS 260 Ca 0.30 -0.09 0.01 0.00 -0.85 0.00 0.00 60.65 60.02 3g58 h LYS 260 Cb 0.01 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.47 3g58 h LYS 260 CO -0.05 0.55 0.64 0.93 -3.45 0.00 0.00 179.45 178.07 3g58 h GLU 261 N 0.60 1.26 0.00 1.90 4.39 -0.63 -2.70 114.58 119.40 3g58 h GLU 261 Ca 0.16 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.78 3g58 h GLU 261 Cb 0.11 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 3g58 h GLU 261 CO -0.02 0.83 0.00 1.28 -1.16 0.00 0.00 179.01 179.94 3g58 n LEU 262 N -4.39 0.48 0.30 1.33 4.77 -0.52 -1.88 117.00 117.09 3g58 n LEU 262 Ca 0.12 0.61 0.20 0.00 -0.03 0.00 0.00 56.01 56.90 3g58 n LEU 262 Cb 0.02 -0.53 0.95 0.00 -2.33 0.00 0.00 43.42 41.53 3g58 n LEU 262 CO 0.37 -0.42 1.08 -0.33 -1.33 0.00 0.00 177.39 176.76 3g58 h GLU 263 N 0.00 0.00 -0.43 3.23 5.08 -1.14 -2.26 114.58 119.06 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 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3g58 h GLU 263 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 3g58 n ASP 264 N -3.05 1.70 0.16 1.42 8.00 -0.79 -4.47 116.55 119.52 3g58 n ASP 264 Ca -0.01 -2.09 0.11 0.00 0.71 0.00 0.00 54.79 53.51 3g58 n ASP 264 Cb 0.18 -0.28 0.64 0.00 -0.02 0.00 0.00 41.12 41.64 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 1.42 0.92 -0.05 2.53 3.04 -1.60 0.17 116.25 122.68 3g58 h VAL 265 Ca 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 3g58 h VAL 265 Cb 0.53 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 3g58 h VAL 265 CO 0.05 0.01 0.00 0.59 -1.01 0.00 0.00 177.57 177.21 3g58 n ASN 266 N -4.49 1.14 -4.63 3.17 3.02 -1.26 -4.81 115.26 107.41 3g58 n ASN 266 Ca 0.01 -1.46 -0.35 0.00 -0.03 0.00 0.00 54.58 52.76 3g58 n ASN 266 Cb 0.25 -0.03 -0.10 0.00 -0.61 0.00 0.00 39.78 39.29 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 -1.94 3.33 -0.12 3.52 1.02 0.58 -4.84 119.74 121.29 3g58 s LYS 267 Ca 0.37 -0.42 -0.29 0.00 0.02 0.00 0.00 55.97 55.65 3g58 s LYS 267 Cb 0.19 -2.90 -0.06 0.00 -0.52 0.00 0.00 37.83 34.55 3g58 s LYS 267 CO 0.31 0.51 1.99 -0.46 -0.92 0.00 0.00 175.35 176.79 3g58 s TRP 268 N -0.36 1.40 0.00 3.18 -0.11 -1.26 -2.57 118.94 119.22 3g58 s TRP 268 Ca 0.07 0.14 0.00 0.00 1.22 0.00 0.00 56.10 57.53 3g58 s TRP 268 Cb -0.12 -4.07 0.00 0.00 -1.50 0.00 0.00 33.47 27.78 3g58 s TRP 268 CO 0.02 -4.45 0.00 0.41 -4.62 0.00 0.00 176.95 168.31 3g58 n GLY 269 N 5.04 1.37 3.44 5.86 0.00 -1.26 -4.91 105.19 114.72 3g58 n GLY 269 Ca 0.24 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.63 -3.73 0.99 7.94 -1.06 -4.80 117.00 115.71 3g58 n LEU 270 Ca 0.00 1.14 -0.42 0.00 -1.11 0.00 0.00 56.01 55.62 3g58 n LEU 270 Cb 0.00 -1.01 -0.00 0.00 0.53 0.00 0.00 43.42 42.94 3g58 n LEU 270 CO 0.00 -2.64 2.63 1.41 -1.11 0.00 0.00 177.39 177.68 3g58 n HIS 271 N 0.14 3.41 -0.05 1.96 8.25 -1.26 -4.75 115.22 122.91 3g58 n HIS 271 Ca 0.17 -2.96 -0.06 0.00 -0.26 0.00 0.00 57.72 54.61 3g58 n HIS 271 Cb 0.25 -2.48 0.14 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 3.92 1.26 -0.62 1.59 3.04 -1.98 -1.46 116.25 122.00 3g58 h VAL 272 Ca 0.56 -1.25 -0.09 0.00 -1.01 0.00 0.00 66.70 64.92 3g58 h VAL 272 Cb 0.62 1.20 -0.02 0.00 -2.01 0.00 0.00 31.29 31.07 3g58 h VAL 272 CO 1.85 0.41 0.05 -0.26 -1.01 0.00 0.00 177.57 178.61 3g58 h PHE 273 N 0.60 1.14 -0.30 3.17 0.04 -1.97 0.39 116.94 120.01 3g58 h PHE 273 Ca 0.09 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.66 3g58 h PHE 273 Cb 0.66 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 3g58 h PHE 273 CO 0.03 0.98 0.06 -0.09 -0.60 0.00 0.00 178.31 178.69 3g58 h ARG 274 N 0.98 0.48 -0.68 1.51 2.43 -1.86 -2.21 114.38 115.03 3g58 h ARG 274 Ca 0.18 -0.12 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 3g58 h ARG 274 Cb 0.49 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 29.92 3g58 h ARG 274 CO 0.02 0.57 0.34 0.82 -1.51 0.00 0.00 179.97 180.21 3g58 h ILE 275 N 0.32 0.87 -0.45 1.20 2.04 -1.09 0.22 117.51 120.61 3g58 h ILE 275 Ca 0.09 -0.20 0.08 0.00 1.00 0.00 0.00 64.86 65.82 3g58 h ILE 275 Cb 0.31 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.55 3g58 h ILE 275 CO 0.00 0.11 0.08 0.00 0.00 0.00 0.00 178.15 178.34 3g58 h ALA 276 N 1.41 0.48 -0.01 1.87 0.00 -0.65 0.12 119.26 122.48 3g58 h ALA 276 Ca 0.33 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 3g58 h ALA 276 Cb 0.32 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3g58 h ALA 276 CO -0.25 -0.33 -0.00 0.93 0.00 0.00 0.00 179.25 179.60 3g58 h GLU 277 N 0.21 0.01 0.00 0.00 5.08 -0.75 0.33 114.58 119.46 3g58 h GLU 277 Ca 0.22 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 3g58 h GLU 277 Cb 0.29 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3g58 h GLU 277 CO -0.30 0.34 -0.19 -0.07 -1.00 0.00 0.00 179.01 177.79 3g58 h LEU 278 N -0.32 0.00 -0.85 1.33 3.38 -0.39 -2.44 115.31 116.03 3g58 h LEU 278 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g58 h LEU 278 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3g58 h LEU 278 CO 0.00 0.19 0.00 -1.54 0.09 0.00 0.00 178.44 177.18 3g58 n SER 279 N -3.67 1.31 -2.10 -0.43 3.41 0.40 -4.92 113.62 107.61 3g58 n SER 279 Ca -0.01 -1.46 -0.11 0.00 -0.26 0.00 0.00 58.87 57.03 3g58 n SER 279 Cb 0.31 -0.01 0.04 0.00 -0.26 0.00 0.00 64.21 64.29 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 1.14 0.16 3.36 5.00 0.00 -0.92 -3.53 105.19 110.40 3g58 n GLY 280 Ca 0.19 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.13 -4.33 -2.24 1.61 5.15 0.11 -4.95 115.26 109.49 3g58 n ASN 281 Ca -0.04 -0.53 -0.19 0.00 -0.60 0.00 0.00 54.58 53.22 3g58 n ASN 281 Cb 0.55 -4.75 0.03 0.00 -0.53 0.00 0.00 39.78 35.07 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 -4.35 3.15 -0.16 1.20 5.12 -1.23 -4.88 116.66 115.51 3g58 n ARG 282 Ca -0.11 -4.03 0.01 0.00 -1.93 0.00 0.00 57.85 51.79 3g58 n ARG 282 Cb 0.60 -2.11 0.29 0.00 -1.16 0.00 0.00 32.46 30.07 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 2.32 0.87 -0.18 5.56 0.13 -1.82 -0.28 132.00 138.60 3g58 h PRO 283 Ca 0.25 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 65.24 3g58 h PRO 283 Cb 1.43 -0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 3g58 h PRO 283 CO 0.64 0.59 -0.18 1.25 -0.23 0.00 0.00 178.00 180.06 3g58 h LEU 284 N 0.89 0.47 0.23 1.56 5.85 -1.90 -0.87 115.31 121.54 3g58 h LEU 284 Ca 0.24 -0.48 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3g58 h LEU 284 Cb -0.08 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.81 3g58 h LEU 284 CO -0.05 0.86 -0.13 0.74 -0.34 0.00 0.00 178.44 179.51 3g58 h THR 285 N 0.10 0.73 -0.32 1.05 2.02 -1.79 -0.43 112.91 114.27 3g58 h THR 285 Ca 0.03 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.07 3g58 h THR 285 Cb 0.72 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3g58 h THR 285 CO 0.04 0.00 -0.37 -0.37 0.37 0.00 0.00 175.52 175.19 3g58 h VAL 286 N -0.34 1.28 -0.06 3.16 -1.51 -1.07 -1.39 116.25 116.32 3g58 h VAL 286 Ca -0.03 -1.54 -0.09 0.00 -1.23 0.00 0.00 66.70 63.82 3g58 h VAL 286 Cb 0.28 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 3g58 h VAL 286 CO 0.04 0.50 -0.30 0.40 -1.23 0.00 0.00 177.57 176.98 3g58 h ILE 287 N 0.62 1.44 -0.51 7.19 2.04 -1.18 -1.58 117.51 125.54 3g58 h ILE 287 Ca 0.06 -1.73 0.04 0.00 1.00 0.00 0.00 64.86 64.22 3g58 h ILE 287 Cb 0.91 2.38 -0.04 0.00 -0.74 0.00 0.00 36.82 39.34 3g58 h ILE 287 CO 0.08 0.49 0.27 0.24 0.00 0.00 0.00 178.15 179.23 3g58 h MET 288 N -0.22 0.51 -0.58 2.37 2.86 -1.06 -0.73 114.93 118.08 3g58 h MET 288 Ca -0.02 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 3g58 h MET 288 Cb 0.96 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.48 3g58 h MET 288 CO 0.06 0.34 0.06 1.25 1.06 0.00 0.00 176.91 179.67 3g58 h HIS 289 N 0.53 1.07 -0.49 -0.22 -0.00 -1.26 -0.51 115.15 114.27 3g58 h HIS 289 Ca 0.22 -0.16 0.03 0.00 -0.00 0.00 0.00 60.37 60.45 3g58 h HIS 289 Cb 0.10 -0.29 -0.04 0.00 -0.00 0.00 0.00 27.41 27.19 3g58 h HIS 289 CO -0.09 0.94 0.27 1.15 -0.00 0.00 0.00 177.93 180.20 3g58 h THR 290 N 0.89 1.01 -0.64 6.26 2.02 -0.98 -2.08 112.91 119.39 3g58 h THR 290 Ca 0.17 -0.19 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 3g58 h THR 290 Cb 0.48 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 3g58 h THR 290 CO 0.02 0.10 0.09 0.40 0.37 0.00 0.00 175.52 176.50 3g58 h ILE 291 N 0.54 1.26 -0.78 3.11 2.04 -0.79 0.14 117.51 123.04 3g58 h ILE 291 Ca 0.21 -1.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 3g58 h ILE 291 Cb 0.07 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3g58 h ILE 291 CO -0.12 0.39 0.39 -0.26 0.00 0.00 0.00 178.15 178.55 3g58 h PHE 292 N 0.98 1.11 -0.18 1.37 -1.00 -0.89 -0.35 116.94 117.98 3g58 h PHE 292 Ca 0.19 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.90 3g58 h PHE 292 Cb 0.46 -0.35 -0.01 0.00 3.61 0.00 0.00 35.95 39.66 3g58 h PHE 292 CO 0.03 0.80 0.04 1.96 -1.61 0.00 0.00 178.31 179.53 3g58 h GLN 293 N 1.09 0.30 -0.96 1.51 4.20 -1.09 0.14 115.11 120.29 3g58 h GLN 293 Ca 0.27 -0.08 0.09 0.00 0.06 0.00 0.00 58.65 59.00 3g58 h GLN 293 Cb 0.10 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.77 3g58 h GLN 293 CO -0.04 0.45 0.60 1.49 -0.67 0.00 0.00 178.83 180.66 3g58 h GLU 294 N 0.09 0.99 -0.28 1.46 4.57 -0.27 -1.24 114.58 119.91 3g58 h GLU 294 Ca 0.06 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3g58 h GLU 294 Cb 0.29 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 3g58 h GLU 294 CO 0.00 0.66 0.00 0.54 -1.18 0.00 0.00 179.01 179.03 3g58 n ARG 295 N -4.60 2.24 -2.78 1.92 1.74 -0.18 -4.96 116.66 110.04 3g58 n ARG 295 Ca 0.16 -1.86 -0.21 0.00 -0.77 0.00 0.00 57.85 55.17 3g58 n ARG 295 Cb 0.27 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.25 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 1.10 -5.77 0.20 0.55 2.03 -0.18 -4.90 116.55 109.57 3g58 n ASP 296 Ca 0.18 -0.17 0.07 0.00 0.52 0.00 0.00 54.79 55.39 3g58 n ASP 296 Cb 0.52 -4.73 0.39 0.00 -0.72 0.00 0.00 41.12 36.58 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 -0.78 0.00 -0.12 -2.67 3.38 -1.09 -1.36 115.31 112.68 3g58 h LEU 297 Ca -0.50 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 3g58 h LEU 297 Cb 1.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.10 3g58 h LEU 297 CO 0.56 0.33 -0.02 -0.07 0.09 0.00 0.00 178.44 179.33 3g58 h LEU 298 N 0.00 0.22 -0.04 1.67 4.07 -1.87 -1.45 115.31 117.90 3g58 h LEU 298 Ca -0.00 -0.35 -0.01 0.00 0.08 0.00 0.00 57.88 57.60 3g58 h LEU 298 Cb 0.81 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.49 3g58 h LEU 298 CO 0.04 0.52 0.01 0.50 -1.08 0.00 0.00 178.44 178.43 3g58 h LYS 299 N -0.08 0.07 -0.40 1.13 3.64 -1.85 0.17 116.57 119.25 3g58 h LYS 299 Ca 0.03 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3g58 h LYS 299 Cb 0.42 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3g58 h LYS 299 CO 0.01 0.31 0.21 1.15 -2.27 0.00 0.00 179.45 178.86 3g58 h THR 300 N -0.19 1.00 -0.59 1.00 2.02 -1.24 -2.82 112.91 112.09 3g58 h THR 300 Ca 0.01 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3g58 h THR 300 Cb 0.28 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3g58 h THR 300 CO 0.00 0.08 0.00 0.49 0.37 0.00 0.00 175.52 176.46 3g58 n PHE 301 N -4.90 1.18 -3.88 3.16 3.72 -0.55 -4.96 117.46 111.22 3g58 n PHE 301 Ca 0.01 -0.59 -0.25 0.00 -0.05 0.00 0.00 57.45 56.57 3g58 n PHE 301 Cb 0.08 -0.16 -0.00 0.00 -0.94 0.00 0.00 39.48 38.45 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 1.00 -3.44 -3.13 -1.08 5.02 -0.12 -4.49 118.16 111.93 3g58 n LYS 302 Ca 0.23 0.45 -0.41 0.00 -2.02 0.00 0.00 58.31 56.56 3g58 n LYS 302 Cb 0.76 -4.62 -0.07 0.00 -0.02 0.00 0.00 35.03 31.09 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 -3.86 4.96 0.33 -0.18 1.01 -0.21 -4.63 121.20 118.61 3g58 s ILE 303 Ca 0.04 0.86 -0.29 0.00 0.00 0.00 0.00 60.65 61.27 3g58 s ILE 303 Cb -0.02 -3.98 -0.11 0.00 0.01 0.00 0.00 42.46 38.37 3g58 s ILE 303 CO 0.87 -0.11 1.42 -2.84 0.00 0.00 0.00 174.94 174.28 3g58 s PRO 304 N 2.56 4.23 0.21 2.79 0.02 -1.26 -4.80 135.00 138.75 3g58 s PRO 304 Ca 0.25 2.39 -0.07 0.00 0.02 0.00 0.00 61.00 63.58 3g58 s PRO 304 Cb -0.15 -3.04 0.17 0.00 0.02 0.00 0.00 34.50 31.50 3g58 s PRO 304 CO 0.11 -0.39 1.74 -0.24 -0.33 0.00 0.00 177.00 177.90 3g58 h VAL 305 N 3.14 1.26 -0.79 3.83 3.04 -1.97 -1.19 116.25 123.57 3g58 h VAL 305 Ca -0.49 -0.93 -0.02 0.00 -1.01 0.00 0.00 66.70 64.25 3g58 h VAL 305 Cb 1.23 0.50 -0.04 0.00 -2.01 0.00 0.00 31.29 30.98 3g58 h VAL 305 CO 0.69 0.36 0.42 -2.24 -1.01 0.00 0.00 177.57 175.79 3g58 h ASP 306 N 1.06 0.99 -0.39 3.17 -0.00 -1.97 -1.36 116.42 117.93 3g58 h ASP 306 Ca 0.23 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.03 57.14 3g58 h ASP 306 Cb 0.34 -0.25 -0.02 0.00 -0.00 0.00 0.00 39.33 39.39 3g58 h ASP 306 CO -0.00 0.81 0.19 0.74 -0.00 0.00 0.00 179.24 180.98 3g58 h THR 307 N 1.10 1.17 0.31 1.15 2.02 -1.63 0.41 112.91 117.44 3g58 h THR 307 Ca 0.28 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3g58 h THR 307 Cb 0.05 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3g58 h THR 307 CO -0.04 0.18 -0.16 0.25 0.37 0.00 0.00 175.52 176.12 3g58 h LEU 308 N 0.49 -0.38 -0.83 2.58 5.85 -0.98 -0.18 115.31 121.87 3g58 h LEU 308 Ca 0.13 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.92 3g58 h LEU 308 Cb 0.11 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3g58 h LEU 308 CO -0.02 -0.26 0.52 0.40 -0.34 0.00 0.00 178.44 178.74 3g58 h ILE 309 N -0.43 1.07 -0.26 4.05 2.04 -1.17 0.96 117.51 123.76 3g58 h ILE 309 Ca -0.04 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 3g58 h ILE 309 Cb 0.34 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3g58 h ILE 309 CO 0.06 0.18 -0.03 0.74 0.00 0.00 0.00 178.15 179.10 3g58 h THR 310 N 0.97 1.27 -0.36 -0.27 2.02 -0.73 -1.35 112.91 114.45 3g58 h THR 310 Ca 0.35 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 3g58 h THR 310 Cb 0.11 1.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3g58 h THR 310 CO -0.15 0.32 0.19 0.22 0.37 0.00 0.00 175.52 176.46 3g58 h TYR 311 N 0.24 0.50 -0.64 3.16 3.20 -0.64 -1.76 116.97 121.04 3g58 h TYR 311 Ca 0.07 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3g58 h TYR 311 Cb 0.48 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.56 3g58 h TYR 311 CO 0.04 0.41 0.41 -0.07 -1.64 0.00 0.00 178.16 177.31 3g58 h LEU 312 N 0.45 0.75 -0.63 2.82 3.38 -0.66 0.15 115.31 121.58 3g58 h LEU 312 Ca 0.13 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 3g58 h LEU 312 Cb 0.08 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3g58 h LEU 312 CO -0.02 0.56 0.16 0.24 0.09 0.00 0.00 178.44 179.48 3g58 h MET 313 N 0.87 1.01 -0.01 1.13 2.86 -1.14 -0.07 114.93 119.57 3g58 h MET 313 Ca 0.23 -0.24 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3g58 h MET 313 Cb -0.07 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.46 3g58 h MET 313 CO -0.05 0.91 0.01 1.15 1.06 0.00 0.00 176.91 179.99 3g58 h THR 314 N 0.93 1.01 -0.15 2.22 2.02 -0.86 0.97 112.91 119.05 3g58 h THR 314 Ca 0.20 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 67.37 3g58 h THR 314 Cb 0.34 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.74 3g58 h THR 314 CO 0.00 0.01 0.02 0.25 0.37 0.00 0.00 175.52 176.17 3g58 h LEU 315 N 0.01 -0.01 -1.17 2.58 5.85 -0.51 -2.24 115.31 119.82 3g58 h LEU 315 Ca 0.00 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3g58 h LEU 315 Cb 0.01 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3g58 h LEU 315 CO -0.00 0.02 0.54 -0.08 -0.34 0.00 0.00 178.44 178.58 3g58 h GLU 316 N 0.08 1.10 0.00 1.25 4.81 -0.82 -1.16 114.58 119.83 3g58 h GLU 316 Ca 0.07 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3g58 h GLU 316 Cb 0.07 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.20 3g58 h GLU 316 CO -0.10 0.73 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.46 3g58 h ASP 317 N 1.13 0.00 -0.35 1.04 3.45 -0.23 -2.08 116.42 119.37 3g58 h ASP 317 Ca 0.30 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.76 3g58 h ASP 317 Cb -0.12 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.65 3g58 h ASP 317 CO -0.06 0.02 0.00 1.41 -1.57 0.00 0.00 179.24 179.03 3g58 n HIS 318 N -3.16 0.46 -3.14 4.55 8.25 -0.45 -4.77 115.22 116.96 3g58 n HIS 318 Ca -0.01 -0.23 -0.36 0.00 -0.26 0.00 0.00 57.72 56.86 3g58 n HIS 318 Cb 0.20 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.54 3.65 -0.20 4.41 1.51 -0.79 -0.66 117.35 123.73 3g58 s TYR 319 Ca 0.36 1.33 -0.20 0.00 -1.01 0.00 0.00 57.07 57.56 3g58 s TYR 319 Cb 0.21 -2.58 -0.03 0.00 -0.11 0.00 0.00 41.96 39.45 3g58 s TYR 319 CO 0.29 0.36 0.60 -1.01 -1.11 0.00 0.00 175.55 174.68 3g58 s HIS 320 N -1.50 3.37 0.15 2.71 3.76 -1.26 -4.81 115.29 117.71 3g58 s HIS 320 Ca 0.42 0.88 0.30 0.00 -0.15 0.00 0.00 55.06 56.51 3g58 s HIS 320 Cb -0.17 -2.77 1.22 0.00 1.11 0.00 0.00 32.58 31.98 3g58 s HIS 320 CO 0.21 -0.16 1.94 0.00 -0.85 0.00 0.00 174.74 175.87 3g58 h ALA 321 N 7.49 1.03 -0.00 -1.40 0.00 -1.94 -2.73 119.26 121.72 3g58 h ALA 321 Ca -0.32 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3g58 h ALA 321 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3g58 h ALA 321 CO 0.76 0.12 -0.12 -0.40 0.00 0.00 0.00 179.25 179.61 3g58 n ASP 322 N -3.25 0.49 -4.70 0.00 5.75 -1.26 -4.83 116.55 108.75 3g58 n ASP 322 Ca 0.00 -0.56 -0.37 0.00 -0.01 0.00 0.00 54.79 53.85 3g58 n ASP 322 Cb 0.34 -0.07 -0.07 0.00 -1.03 0.00 0.00 41.12 40.29 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 -2.49 5.28 0.09 2.12 1.01 -1.03 -4.99 120.40 120.38 3g58 s VAL 323 Ca 0.28 0.56 -0.09 0.00 0.00 0.00 0.00 61.98 62.73 3g58 s VAL 323 Cb 0.20 -3.65 -0.24 0.00 0.00 0.00 0.00 36.38 32.69 3g58 s VAL 323 CO 0.48 0.33 1.20 0.00 0.00 0.00 0.00 175.10 177.11 3g58 h ALA 324 N 7.03 0.17 0.00 5.51 0.00 -1.87 -3.40 119.26 126.69 3g58 h ALA 324 Ca -0.39 -0.76 -0.05 0.00 0.00 0.00 0.00 54.91 53.71 3g58 h ALA 324 Cb 1.16 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3g58 h ALA 324 CO 0.73 0.78 -0.81 0.98 0.00 0.00 0.00 179.25 180.94 3g58 n TYR 325 N -3.74 0.00 -1.61 0.00 9.36 -1.26 -4.77 117.16 115.14 3g58 n TYR 325 Ca -0.10 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.70 3g58 n TYR 325 Cb 0.92 -0.32 -0.01 0.00 -0.63 0.00 0.00 39.34 39.30 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 -3.93 3.21 -4.07 2.98 8.25 -1.26 -4.26 115.22 116.13 3g58 n HIS 326 Ca -0.12 -2.82 -0.04 0.00 -0.26 0.00 0.00 57.72 54.48 3g58 n HIS 326 Cb 0.37 -2.43 -0.01 0.00 1.12 0.00 0.00 29.99 29.04 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 6.09 1.05 0.28 0.41 0.23 -1.26 -4.54 115.26 117.53 3g58 n ASN 327 Ca 0.53 -1.31 0.14 0.00 -0.53 0.00 0.00 54.58 53.41 3g58 n ASN 327 Cb 0.38 0.14 0.81 0.00 -2.08 0.00 0.00 39.78 39.03 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 0.23 0.00 -0.09 0.53 -1.07 -1.87 -1.83 115.58 111.48 3g58 h ASN 328 Ca -0.05 0.00 -0.08 0.00 0.07 0.00 0.00 56.30 56.24 3g58 h ASN 328 Cb 0.17 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.43 3g58 h ASN 328 CO 0.07 0.08 -0.26 0.40 0.07 0.00 0.00 177.43 177.79 3g58 h ILE 329 N 0.00 1.41 -0.66 6.14 2.04 -1.97 -0.67 117.51 123.80 3g58 h ILE 329 Ca -0.00 -1.60 0.02 0.00 1.00 0.00 0.00 64.86 64.28 3g58 h ILE 329 Cb 0.22 2.21 -0.04 0.00 -0.74 0.00 0.00 36.82 38.47 3g58 h ILE 329 CO 0.01 0.46 0.42 -0.74 0.00 0.00 0.00 178.15 178.30 3g58 h HIS 330 N -0.13 0.80 -0.26 1.37 2.76 -1.67 -0.56 115.15 117.45 3g58 h HIS 330 Ca -0.01 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.20 3g58 h HIS 330 Cb 0.87 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 29.55 3g58 h HIS 330 CO 0.12 0.48 0.12 0.00 -1.30 0.00 0.00 177.93 177.35 3g58 h ALA 331 N 1.26 0.31 -0.88 5.26 0.00 -1.30 0.04 119.26 123.95 3g58 h ALA 331 Ca 0.25 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3g58 h ALA 331 Cb -0.05 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3g58 h ALA 331 CO -0.08 -0.28 0.57 0.00 0.00 0.00 0.00 179.25 179.46 3g58 h ALA 332 N 1.14 1.16 -0.42 0.00 0.00 -0.81 -1.20 119.26 119.13 3g58 h ALA 332 Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3g58 h ALA 332 Cb 0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3g58 h ALA 332 CO -0.09 0.42 0.05 0.22 0.00 0.00 0.00 179.25 179.86 3g58 h ASP 333 N 1.11 0.68 -0.37 0.00 3.58 -0.65 -1.26 116.42 119.52 3g58 h ASP 333 Ca 0.35 -0.27 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 3g58 h ASP 333 Cb 0.00 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 3g58 h ASP 333 CO -0.12 0.78 0.13 0.58 -2.88 0.00 0.00 179.24 177.74 3g58 h VAL 334 N 0.56 1.20 -0.00 2.25 2.07 -0.70 0.33 116.25 121.96 3g58 h VAL 334 Ca 0.13 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 67.04 3g58 h VAL 334 Cb 0.40 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 3g58 h VAL 334 CO 0.01 0.22 -0.29 0.58 0.02 0.00 0.00 177.57 178.11 3g58 h VAL 335 N 0.45 0.35 -0.55 2.57 2.07 -1.16 0.87 116.25 120.85 3g58 h VAL 335 Ca 0.12 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.61 3g58 h VAL 335 Cb 0.22 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3g58 h VAL 335 CO -0.01 0.00 0.19 -0.61 0.02 0.00 0.00 177.57 177.17 3g58 h GLN 336 N -0.44 0.80 -0.22 1.57 -0.00 -1.09 -0.17 115.11 115.55 3g58 h GLN 336 Ca 0.06 -0.13 -0.10 0.00 -0.00 0.00 0.00 58.65 58.48 3g58 h GLN 336 Cb 0.53 -0.14 -0.00 0.00 0.00 0.00 0.00 27.48 27.87 3g58 h GLN 336 CO -0.25 0.68 -0.26 0.77 0.00 0.00 0.00 178.83 179.76 3g58 h SER 337 N 0.79 0.62 -0.83 -0.69 0.02 -0.60 -1.16 113.55 111.69 3g58 h SER 337 Ca 0.18 -0.49 0.08 0.00 -0.84 0.00 0.00 61.79 60.72 3g58 h SER 337 Cb 0.19 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.49 3g58 h SER 337 CO -0.01 0.99 0.50 0.74 -1.14 0.00 0.00 176.83 177.90 3g58 h THR 338 N 0.27 0.98 -0.90 -2.27 2.02 -0.58 -1.23 112.91 111.20 3g58 h THR 338 Ca 0.03 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.91 3g58 h THR 338 Cb 0.83 0.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 3g58 h THR 338 CO 0.06 0.16 0.56 -0.74 0.37 0.00 0.00 175.52 175.94 3g58 h HIS 339 N 0.88 1.16 -0.02 3.16 -0.00 -0.53 0.16 115.15 119.96 3g58 h HIS 339 Ca 0.38 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.76 3g58 h HIS 339 Cb 0.25 -0.39 -0.00 0.00 -0.00 0.00 0.00 27.41 27.28 3g58 h HIS 339 CO -0.05 0.75 -0.00 0.28 -0.00 0.00 0.00 177.93 178.92 3g58 h VAL 340 N 1.23 1.28 -0.69 5.26 2.07 -0.94 -3.16 116.25 121.30 3g58 h VAL 340 Ca 0.32 -0.83 0.10 0.00 0.82 0.00 0.00 66.70 67.12 3g58 h VAL 340 Cb -0.09 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3g58 h VAL 340 CO -0.06 0.22 0.46 -0.07 0.02 0.00 0.00 177.57 178.13 3g58 h LEU 341 N -0.30 0.50 -2.01 2.57 3.38 -0.73 -1.26 115.31 117.46 3g58 h LEU 341 Ca 0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3g58 h LEU 341 Cb 0.36 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3g58 h LEU 341 CO 0.00 0.30 -0.10 -0.07 0.09 0.00 0.00 178.44 178.66 3g58 h LEU 342 N 0.56 0.00 -1.93 1.67 3.38 -0.66 -2.77 115.31 115.55 3g58 h LEU 342 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 3g58 h LEU 342 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3g58 h LEU 342 CO -0.11 0.10 0.00 -1.20 0.09 0.00 0.00 178.44 177.32 3g58 n SER 343 N -3.86 2.84 -4.71 -0.43 7.64 -0.48 -4.81 113.62 109.81 3g58 n SER 343 Ca -0.02 -1.94 -0.43 0.00 1.01 0.00 0.00 58.87 57.48 3g58 n SER 343 Cb 0.19 -0.29 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 3g58 n SER 343 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3g58 n THR 344 N 1.06 0.15 -0.35 0.44 5.66 -1.05 -4.86 114.28 115.33 3g58 n THR 344 Ca 0.18 -0.04 0.24 0.00 -3.05 0.00 0.00 64.05 61.39 3g58 n THR 344 Cb 0.48 -1.84 0.50 0.00 -1.55 0.00 0.00 70.33 67.92 3g58 n THR 344 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 3g58 h PRO 345 N 6.21 0.36 0.00 1.09 0.11 -1.92 0.51 132.00 138.36 3g58 h PRO 345 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3g58 h PRO 345 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3g58 h PRO 345 CO 0.91 0.24 0.00 0.00 -0.21 0.00 0.00 178.00 178.94 3g58 h ALA 346 N 1.68 1.00 -0.37 -0.75 0.00 -1.87 -2.11 119.26 116.84 3g58 h ALA 346 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.58 3g58 h ALA 346 Cb 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.44 3g58 h ALA 346 CO -0.41 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.12 3g58 n LEU 347 N -2.56 3.00 -4.67 0.00 4.77 0.17 0.24 117.00 117.95 3g58 n LEU 347 Ca -0.00 -2.01 -0.46 0.00 -0.03 0.00 0.00 56.01 53.52 3g58 n LEU 347 Cb 0.16 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3g58 n LEU 347 CO 0.18 0.75 1.09 1.21 -1.33 0.00 0.00 177.39 179.29 3g58 n GLU 348 N 0.57 2.05 -1.12 3.23 2.13 -0.79 -1.11 120.64 125.60 3g58 n GLU 348 Ca 0.12 0.74 -0.07 0.00 0.66 0.00 0.00 57.16 58.61 3g58 n GLU 348 Cb 0.44 -2.45 -0.03 0.00 0.27 0.00 0.00 31.44 29.68 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 2.65 -0.10 -0.02 4.31 0.00 -1.26 -4.86 120.51 121.22 3g58 n ALA 349 Ca 0.14 0.11 -0.16 0.00 0.00 0.00 0.00 53.44 53.53 3g58 n ALA 349 Cb 0.30 -1.51 -0.11 0.00 0.00 0.00 0.00 19.45 18.12 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 1.51 -2.85 0.00 2.07 -1.46 -3.46 116.25 112.06 3g58 h VAL 350 Ca -0.14 -2.00 -0.63 0.00 0.82 0.00 0.00 66.70 64.75 3g58 h VAL 350 Cb 1.00 2.71 -0.06 0.00 -1.52 0.00 0.00 31.29 33.42 3g58 h VAL 350 CO 0.20 0.56 -0.39 -0.36 0.02 0.00 0.00 177.57 177.60 3g58 s PHE 351 N -3.14 3.60 0.87 1.57 0.08 -1.26 -5.03 117.98 114.66 3g58 s PHE 351 Ca -0.15 0.61 -0.12 0.00 0.12 0.00 0.00 56.93 57.39 3g58 s PHE 351 Cb 0.02 -2.01 0.11 0.00 -0.57 0.00 0.00 43.02 40.57 3g58 s PHE 351 CO 0.77 0.65 1.10 0.95 -0.10 0.00 0.00 175.22 178.59 3g58 s THR 352 N -1.20 2.73 0.38 0.64 -4.23 -1.26 -4.85 115.64 107.85 3g58 s THR 352 Ca 0.24 0.24 0.05 0.00 -1.18 0.00 0.00 61.69 61.04 3g58 s THR 352 Cb -0.13 -2.83 0.27 0.00 1.34 0.00 0.00 72.50 71.14 3g58 s THR 352 CO 0.13 -0.31 2.02 0.44 -0.54 0.00 0.00 174.62 176.36 3g58 h ASP 353 N -1.40 0.60 -0.47 3.99 3.32 -1.98 -1.19 116.42 119.30 3g58 h ASP 353 Ca -0.49 -0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.42 3g58 h ASP 353 Cb 1.28 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 3g58 h ASP 353 CO 0.57 0.43 -0.20 0.25 -1.72 0.00 0.00 179.24 178.57 3g58 h LEU 354 N 0.71 1.00 -0.55 1.55 5.85 -1.99 0.13 115.31 122.02 3g58 h LEU 354 Ca 0.21 -0.37 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 3g58 h LEU 354 Cb -0.02 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 3g58 h LEU 354 CO -0.05 1.16 -0.11 -0.33 -0.34 0.00 0.00 178.44 178.77 3g58 h GLU 355 N 0.85 1.04 0.20 1.25 5.08 -1.83 -0.37 114.58 120.79 3g58 h GLU 355 Ca 0.11 -0.39 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3g58 h GLU 355 Cb 0.77 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3g58 h GLU 355 CO 0.06 1.08 -0.16 0.82 -1.00 0.00 0.00 179.01 179.81 3g58 h ILE 356 N 0.91 0.66 -0.56 3.13 2.04 -1.09 -1.47 117.51 121.13 3g58 h ILE 356 Ca 0.14 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.08 3g58 h ILE 356 Cb 0.68 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 3g58 h ILE 356 CO 0.05 0.00 0.21 0.25 0.00 0.00 0.00 178.15 178.66 3g58 h LEU 357 N -0.37 0.22 -0.34 1.44 5.85 -0.59 -1.85 115.31 119.67 3g58 h LEU 357 Ca -0.01 0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3g58 h LEU 357 Cb 0.33 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3g58 h LEU 357 CO -0.01 0.14 0.14 0.00 -0.34 0.00 0.00 178.44 178.37 3g58 h ALA 358 N 1.38 0.41 -0.60 1.25 0.00 -0.90 0.67 119.26 121.48 3g58 h ALA 358 Ca 0.28 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 3g58 h ALA 358 Cb 0.31 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3g58 h ALA 358 CO -0.27 -0.24 0.04 0.00 0.00 0.00 0.00 179.25 178.78 3g58 h ALA 359 N 1.20 0.80 -0.26 0.00 0.00 -0.82 0.13 119.26 120.31 3g58 h ALA 359 Ca 0.15 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 3g58 h ALA 359 Cb 0.10 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3g58 h ALA 359 CO -0.13 0.60 -0.38 0.82 0.00 0.00 0.00 179.25 180.16 3g58 h ILE 360 N 0.93 1.31 -0.42 0.00 2.04 -1.20 -1.64 117.51 118.53 3g58 h ILE 360 Ca 0.17 -1.58 -0.08 0.00 1.00 0.00 0.00 64.86 64.38 3g58 h ILE 360 Cb 0.50 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3g58 h ILE 360 CO 0.02 0.50 -0.04 0.15 0.00 0.00 0.00 178.15 178.78 3g58 h PHE 361 N 0.44 0.84 -0.41 1.37 3.57 -0.75 -0.99 116.94 121.01 3g58 h PHE 361 Ca 0.02 -0.16 0.07 0.00 3.53 0.00 0.00 57.97 61.43 3g58 h PHE 361 Cb 0.97 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.44 3g58 h PHE 361 CO 0.08 0.85 0.07 0.00 -2.23 0.00 0.00 178.31 177.09 3g58 h ALA 362 N 0.87 0.44 -0.54 2.41 0.00 -0.75 -1.73 119.26 119.97 3g58 h ALA 362 Ca 0.11 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.16 3g58 h ALA 362 Cb 0.54 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3g58 h ALA 362 CO 0.03 -0.33 0.28 0.77 0.00 0.00 0.00 179.25 180.00 3g58 h SER 363 N 0.20 0.40 -0.51 0.00 0.02 -1.13 -1.51 113.55 111.03 3g58 h SER 363 Ca 0.20 0.03 0.04 0.00 -0.84 0.00 0.00 61.79 61.22 3g58 h SER 363 Cb 0.25 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.70 3g58 h SER 363 CO -0.27 0.28 0.26 0.00 -1.14 0.00 0.00 176.83 175.96 3g58 h ALA 364 N 1.29 0.65 -0.01 3.77 0.00 -0.36 -3.18 119.26 121.41 3g58 h ALA 364 Ca 0.24 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3g58 h ALA 364 Cb 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3g58 h ALA 364 CO -0.16 -0.08 -0.24 0.44 0.00 0.00 0.00 179.25 179.21 3g58 n ILE 365 N -4.87 0.00 0.32 0.00 -5.35 -0.73 -4.64 119.36 104.08 3g58 n ILE 365 Ca 0.04 -0.23 0.14 0.00 -0.27 0.00 0.00 62.75 62.43 3g58 n ILE 365 Cb 0.13 0.78 0.61 0.00 -1.74 0.00 0.00 39.64 39.42 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 -1.99 115.15 120.42 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 0.63 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.61 3g58 h HIS 366 CO 0.00 0.00 -0.11 -0.25 -3.07 0.00 0.00 177.93 174.50 3g58 n ASP 367 N -2.47 1.47 -4.77 3.10 8.00 -1.26 -4.86 116.55 115.76 3g58 n ASP 367 Ca 0.01 -2.34 -0.41 0.00 0.71 0.00 0.00 54.79 52.75 3g58 n ASP 367 Cb 0.19 -0.23 -0.00 0.00 -0.02 0.00 0.00 41.12 41.06 3g58 n ASP 367 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 3g58 n VAL 368 N -0.73 1.84 -2.24 2.53 3.14 -0.75 -2.04 118.33 120.08 3g58 n VAL 368 Ca 0.07 -0.46 -0.15 0.00 -2.96 0.00 0.00 64.34 60.84 3g58 n VAL 368 Cb 0.54 -1.98 -0.01 0.00 -1.06 0.00 0.00 33.84 31.33 3g58 n VAL 368 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3g58 n ASP 369 N 0.73 -4.49 -4.69 6.55 2.03 0.17 -4.35 116.55 112.50 3g58 n ASP 369 Ca 0.02 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.92 3g58 n ASP 369 Cb 0.39 -3.63 -0.03 0.00 -0.72 0.00 0.00 41.12 37.13 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 -2.73 2.82 -1.83 -0.67 2.46 -0.86 -4.92 115.29 109.56 3g58 s HIS 370 Ca 0.00 0.74 0.31 0.00 0.47 0.00 0.00 55.06 56.58 3g58 s HIS 370 Cb 0.00 -3.72 1.70 0.00 -0.13 0.00 0.00 32.58 30.44 3g58 s HIS 370 CO 0.00 -2.70 2.13 -0.35 -2.47 0.00 0.00 174.74 171.35 3g58 n PRO 371 N 5.25 0.84 -0.91 2.88 -0.04 -1.26 -4.56 135.00 137.20 3g58 n PRO 371 Ca 0.13 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 3g58 n PRO 371 Cb 0.43 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 1.11 0.50 3.26 0.55 0.00 -1.26 -4.99 105.19 104.37 3g58 n GLY 372 Ca 0.20 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 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 1.33 0.81 1.61 -7.23 -1.26 -4.70 120.40 108.96 3g58 s VAL 373 Ca 0.00 -1.89 -0.12 0.00 -1.81 0.00 0.00 61.98 58.16 3g58 s VAL 373 Cb 0.00 -1.69 0.08 0.00 0.56 0.00 0.00 36.38 35.33 3g58 s VAL 373 CO 0.00 -0.54 1.11 -0.94 -0.31 0.00 0.00 175.10 174.42 3g58 s SER 374 N -2.79 4.40 0.25 4.85 1.04 -1.26 -4.90 113.70 115.29 3g58 s SER 374 Ca 0.13 1.15 -0.03 0.00 0.48 0.00 0.00 55.95 57.69 3g58 s SER 374 Cb -0.02 -1.84 0.44 0.00 0.10 0.00 0.00 66.02 64.70 3g58 s SER 374 CO 0.03 -2.01 1.81 0.78 0.98 0.00 0.00 173.24 174.83 3g58 h ASN 375 N -1.12 0.71 -0.09 7.02 2.35 -2.01 -2.40 115.58 120.04 3g58 h ASN 375 Ca -0.47 0.05 -0.10 0.00 -0.55 0.00 0.00 56.30 55.23 3g58 h ASN 375 Cb 1.29 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.56 3g58 h ASN 375 CO 0.61 0.39 -0.24 -0.61 -1.65 0.00 0.00 177.43 175.93 3g58 h GLN 376 N 0.81 0.52 -0.48 0.81 5.75 -1.98 0.43 115.11 120.99 3g58 h GLN 376 Ca 0.42 -0.20 -0.08 0.00 -0.15 0.00 0.00 58.65 58.65 3g58 h GLN 376 Cb 0.42 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 3g58 h GLN 376 CO -0.26 0.73 -0.01 0.35 -2.65 0.00 0.00 178.83 176.98 3g58 h PHE 377 N 0.46 0.93 -0.65 3.99 3.04 -1.83 0.43 116.94 123.31 3g58 h PHE 377 Ca 0.07 -0.16 -0.09 0.00 3.98 0.00 0.00 57.97 61.76 3g58 h PHE 377 Cb 0.67 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 3g58 h PHE 377 CO 0.02 0.89 0.06 -0.07 -2.02 0.00 0.00 178.31 177.19 3g58 h LEU 378 N 0.70 1.07 0.18 0.59 3.38 -0.92 -2.24 115.31 118.08 3g58 h LEU 378 Ca 0.13 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3g58 h LEU 378 Cb 0.52 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3g58 h LEU 378 CO 0.03 1.08 -0.09 0.40 0.09 0.00 0.00 178.44 179.95 3g58 h ILE 379 N 1.02 0.88 0.00 1.22 2.04 -0.76 -2.10 117.51 119.81 3g58 h ILE 379 Ca 0.19 -0.27 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 3g58 h ILE 379 Cb 0.50 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 3g58 h ILE 379 CO 0.02 0.06 -0.19 0.78 0.00 0.00 0.00 178.15 178.82 3g58 h ASN 380 N -0.37 0.00 -0.10 1.72 2.35 -0.78 -1.83 115.58 116.56 3g58 h ASN 380 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3g58 h ASN 380 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3g58 h ASN 380 CO 0.04 0.19 0.00 0.35 -1.65 0.00 0.00 177.43 176.36 3g58 n THR 381 N -4.31 0.13 -3.65 2.81 -2.24 -0.85 -4.93 114.28 101.23 3g58 n THR 381 Ca -0.02 -0.23 -0.26 0.00 -2.27 0.00 0.00 64.05 61.27 3g58 n THR 381 Cb 0.25 0.16 0.06 0.00 -2.10 0.00 0.00 70.33 68.70 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 -0.05 -5.80 -4.73 3.42 3.02 -0.69 -4.94 115.26 105.49 3g58 n ASN 382 Ca 0.16 -0.59 -0.36 0.00 -0.03 0.00 0.00 54.58 53.75 3g58 n ASN 382 Cb 0.25 -4.59 0.07 0.00 -0.61 0.00 0.00 39.78 34.89 3g58 n ASN 382 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3g58 s SER 383 N -3.24 4.64 0.30 6.41 1.04 -0.80 -4.80 113.70 117.25 3g58 s SER 383 Ca 0.59 2.53 0.03 0.00 0.48 0.00 0.00 55.95 59.57 3g58 s SER 383 Cb -0.27 -2.61 0.60 0.00 0.10 0.00 0.00 66.02 63.83 3g58 s SER 383 CO 0.73 -1.98 1.87 -0.08 0.98 0.00 0.00 173.24 174.76 3g58 h GLU 384 N 0.45 0.92 -0.17 4.02 4.81 -1.92 -1.32 114.58 121.38 3g58 h GLU 384 Ca -0.50 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 58.68 3g58 h GLU 384 Cb 1.32 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3g58 h GLU 384 CO 0.53 0.61 0.10 -0.07 -0.73 0.00 0.00 179.01 179.45 3g58 h LEU 385 N 0.95 0.16 -1.18 1.64 3.38 -1.93 -0.48 115.31 117.85 3g58 h LEU 385 Ca 0.45 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.37 3g58 h LEU 385 Cb 0.42 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3g58 h LEU 385 CO -0.21 0.12 0.05 0.00 0.09 0.00 0.00 178.44 178.49 3g58 h ALA 386 N 1.07 1.34 -0.60 1.53 0.00 -1.69 -1.40 119.26 119.51 3g58 h ALA 386 Ca 0.07 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3g58 h ALA 386 Cb -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3g58 h ALA 386 CO -0.03 0.46 0.10 1.25 0.00 0.00 0.00 179.25 181.03 3g58 h LEU 387 N 0.59 0.95 -0.61 0.00 6.46 -0.91 -1.23 115.31 120.56 3g58 h LEU 387 Ca 0.13 -0.26 -0.03 0.00 -0.12 0.00 0.00 57.88 57.60 3g58 h LEU 387 Cb 0.31 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.96 3g58 h LEU 387 CO 0.01 0.97 0.25 -0.03 -0.62 0.00 0.00 178.44 179.01 3g58 h MET 388 N 0.90 0.91 -0.63 1.25 4.05 -0.61 -3.17 114.93 117.62 3g58 h MET 388 Ca 0.18 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3g58 h MET 388 Cb 0.42 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.07 3g58 h MET 388 CO 0.01 0.77 0.00 0.66 0.23 0.00 0.00 176.91 178.58 3g58 n TYR 389 N -4.46 1.56 -3.96 1.39 4.02 -0.57 -4.96 117.16 110.19 3g58 n TYR 389 Ca 0.04 -0.63 -0.30 0.00 -0.01 0.00 0.00 57.90 57.00 3g58 n TYR 389 Cb 0.16 -0.28 0.01 0.00 -0.02 0.00 0.00 39.34 39.21 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 1.02 -3.35 -0.84 7.72 3.02 -0.56 -1.69 115.26 120.58 3g58 n ASN 390 Ca 0.26 -0.87 -0.10 0.00 -0.03 0.00 0.00 54.58 53.84 3g58 n ASN 390 Cb 0.94 -3.55 -0.04 0.00 -0.61 0.00 0.00 39.78 36.51 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 -5.05 -4.18 6.41 8.00 -0.64 -4.93 116.55 113.32 3g58 n ASP 391 Ca -0.05 0.25 -0.34 0.00 0.71 0.00 0.00 54.79 55.36 3g58 n ASP 391 Cb 0.56 -3.80 -0.15 0.00 -0.02 0.00 0.00 41.12 37.72 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 -2.20 4.20 -1.31 -2.24 0.01 -0.68 -4.64 113.70 106.83 3g58 s SER 392 Ca 0.00 -0.89 -0.24 0.00 1.31 0.00 0.00 55.95 56.13 3g58 s SER 392 Cb 0.00 -1.63 0.03 0.00 0.21 0.00 0.00 66.02 64.63 3g58 s SER 392 CO 0.00 -0.12 0.49 -1.20 0.41 0.00 0.00 173.24 172.82 3g58 n SER 393 N 4.64 -2.63 0.38 2.44 7.64 -1.26 -4.81 113.62 120.03 3g58 n SER 393 Ca -0.17 -1.28 -0.17 0.00 1.01 0.00 0.00 58.87 58.26 3g58 n SER 393 Cb 0.47 -1.75 -0.08 0.00 -1.01 0.00 0.00 64.21 61.84 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 -2.37 0.17 -0.78 0.44 2.07 -1.88 -0.65 116.25 113.26 3g58 h VAL 394 Ca -0.70 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 3g58 h VAL 394 Cb 1.40 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 3g58 h VAL 394 CO 0.57 0.01 0.47 -0.07 0.02 0.00 0.00 177.57 178.58 3g58 h LEU 395 N -1.13 0.94 -0.46 2.57 3.38 -1.95 -2.10 115.31 116.56 3g58 h LEU 395 Ca -0.10 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 3g58 h LEU 395 Cb 0.77 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3g58 h LEU 395 CO 0.16 0.73 0.02 -0.33 0.09 0.00 0.00 178.44 179.12 3g58 h GLU 396 N 1.07 0.79 -0.76 1.13 3.07 -1.88 0.29 114.58 118.29 3g58 h GLU 396 Ca 0.28 -0.24 0.08 0.00 -0.50 0.00 0.00 59.36 58.98 3g58 h GLU 396 Cb -0.03 -0.08 -0.07 0.00 -0.84 0.00 0.00 28.75 27.73 3g58 h GLU 396 CO -0.05 0.84 0.43 -0.91 -1.40 0.00 0.00 179.01 177.92 3g58 h ASN 397 N 0.65 0.62 -0.38 1.42 2.35 -1.05 -2.54 115.58 116.65 3g58 h ASN 397 Ca 0.13 0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 3g58 h ASN 397 Cb 0.47 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3g58 h ASN 397 CO 0.02 0.38 -0.15 -0.74 -1.65 0.00 0.00 177.43 175.29 3g58 h HIS 398 N 0.75 0.88 -0.67 1.19 2.76 -0.53 -1.55 115.15 117.99 3g58 h HIS 398 Ca 0.36 -0.21 0.09 0.00 -2.20 0.00 0.00 60.37 58.41 3g58 h HIS 398 Cb 0.28 -0.21 -0.07 0.00 1.55 0.00 0.00 27.41 28.96 3g58 h HIS 398 CO -0.07 0.94 0.30 0.45 -1.30 0.00 0.00 177.93 178.25 3g58 h HIS 399 N 0.57 0.54 0.18 5.26 3.86 -0.29 -0.32 115.15 124.94 3g58 h HIS 399 Ca 0.09 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 3g58 h HIS 399 Cb 0.69 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.02 3g58 h HIS 399 CO 0.06 0.18 -0.08 -0.07 0.86 0.00 0.00 177.93 178.87 3g58 h LEU 400 N 0.52 -0.20 -0.97 2.43 3.38 -1.32 -0.50 115.31 118.65 3g58 h LEU 400 Ca 0.33 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.20 3g58 h LEU 400 Cb 0.37 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3g58 h LEU 400 CO -0.28 0.00 0.64 0.00 0.09 0.00 0.00 178.44 178.89 3g58 h ALA 401 N 0.40 1.26 -0.15 1.53 0.00 -0.88 -1.70 119.26 119.72 3g58 h ALA 401 Ca -0.02 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3g58 h ALA 401 Cb 0.31 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3g58 h ALA 401 CO 0.04 0.57 -0.18 0.28 0.00 0.00 0.00 179.25 179.96 3g58 h VAL 402 N 1.27 1.35 -0.71 0.00 2.07 -1.02 -0.89 116.25 118.31 3g58 h VAL 402 Ca 0.37 -1.37 0.12 0.00 0.82 0.00 0.00 66.70 66.65 3g58 h VAL 402 Cb -0.06 1.90 -0.09 0.00 -1.52 0.00 0.00 31.29 31.52 3g58 h VAL 402 CO -0.10 0.40 0.29 1.23 0.02 0.00 0.00 177.57 179.41 3g58 h GLY 403 N 0.01 1.05 0.94 2.17 0.00 -0.70 -1.17 103.07 105.37 3g58 h GLY 403 Ca 0.02 -0.15 -0.18 0.00 0.00 0.00 0.00 47.33 47.02 3g58 h GLY 403 CO 0.04 -0.05 -0.66 0.74 0.00 0.00 0.00 176.54 176.61 3g58 h PHE 404 N 0.46 0.78 -0.84 5.60 0.04 -1.30 -3.30 116.94 118.38 3g58 h PHE 404 Ca 0.38 -0.38 0.03 0.00 2.80 0.00 0.00 57.97 60.79 3g58 h PHE 404 Cb 0.52 -0.11 -0.05 0.00 2.20 0.00 0.00 35.95 38.51 3g58 h PHE 404 CO -0.16 1.19 0.56 -0.22 -0.60 0.00 0.00 178.31 179.08 3g58 h LYS 405 N 0.16 1.05 0.00 1.51 1.63 -0.71 -1.75 116.57 118.45 3g58 h LYS 405 Ca -0.06 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.67 3g58 h LYS 405 Cb 1.32 -0.24 -0.00 0.00 -0.60 0.00 0.00 32.23 32.72 3g58 h LYS 405 CO 0.13 0.69 -0.00 -0.07 -3.45 0.00 0.00 179.45 176.75 3g58 h LEU 406 N 1.08 0.00 -2.46 5.20 3.38 -1.30 -0.61 115.31 120.60 3g58 h LEU 406 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 3g58 h LEU 406 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3g58 h LEU 406 CO -0.09 0.00 -0.02 -0.07 0.09 0.00 0.00 178.44 178.35 3g58 h LEU 407 N 0.00 0.00 -0.12 1.67 3.38 -1.45 -2.58 115.31 116.22 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 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3g58 h LEU 407 CO 0.00 0.02 -0.16 0.00 0.09 0.00 0.00 178.44 178.40 3g58 n GLN 408 N -3.56 0.36 -1.31 1.13 6.02 -0.23 -2.39 117.38 117.40 3g58 n GLN 408 Ca -0.03 -0.12 -0.29 0.00 -0.01 0.00 0.00 57.00 56.56 3g58 n GLN 408 Cb 0.12 -1.50 0.17 0.00 1.02 0.00 0.00 30.24 30.05 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 0.41 0.05 -1.09 2.02 -0.97 -4.87 118.70 111.54 3g58 s GLU 409 Ca 0.21 0.30 -0.30 0.00 0.02 0.00 0.00 54.97 55.20 3g58 s GLU 409 Cb 0.19 -1.75 -0.08 0.00 0.10 0.00 0.00 34.13 32.58 3g58 s GLU 409 CO 0.53 -2.70 1.77 -2.00 0.02 0.00 0.00 175.26 172.89 3g58 s GLU 410 N -5.17 4.17 -1.41 1.61 2.56 -1.26 -2.17 118.70 117.02 3g58 s GLU 410 Ca 0.66 2.44 -0.08 0.00 0.00 0.00 0.00 54.97 57.99 3g58 s GLU 410 Cb -0.16 -3.81 0.04 0.00 2.00 0.00 0.00 34.13 32.21 3g58 s GLU 410 CO 0.56 -0.84 0.92 -1.71 -0.56 0.00 0.00 175.26 173.63 3g58 n ASN 411 N 6.38 -3.62 -0.13 -1.70 5.15 -1.26 -4.91 115.26 115.17 3g58 n ASN 411 Ca 0.18 -0.75 0.02 0.00 -0.60 0.00 0.00 54.58 53.43 3g58 n ASN 411 Cb 0.40 -4.18 0.01 0.00 -0.53 0.00 0.00 39.78 35.48 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 -0.56 6.73 0.10 0.00 2.15 -1.00 -4.52 116.67 119.56 3g58 s ASP 413 Ca 0.04 -2.14 0.15 0.00 0.43 0.00 0.00 52.55 51.03 3g58 s ASP 413 Cb 0.03 -2.50 0.65 0.00 -0.30 0.00 0.00 42.92 40.80 3g58 s ASP 413 CO 0.07 -1.17 1.45 2.30 -0.17 0.00 0.00 175.17 177.66 3g58 n ILE 414 N 5.98 1.17 -0.53 4.11 -5.35 -1.26 -2.27 119.36 121.21 3g58 n ILE 414 Ca 0.35 0.35 0.10 0.00 -0.27 0.00 0.00 62.75 63.29 3g58 n ILE 414 Cb 0.48 -1.23 0.33 0.00 -1.74 0.00 0.00 39.64 37.48 3g58 n ILE 414 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3g58 n PHE 415 N -1.77 1.23 0.26 4.28 3.72 -1.26 -4.68 117.46 119.25 3g58 n PHE 415 Ca 0.02 -0.58 0.09 0.00 -0.05 0.00 0.00 57.45 56.93 3g58 n PHE 415 Cb 0.13 -0.16 0.68 0.00 -0.94 0.00 0.00 39.48 39.19 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 3.89 0.00 -0.60 -1.08 3.07 -1.82 -1.98 115.11 116.59 3g58 h GLN 416 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3g58 h GLN 416 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.82 3g58 h GLN 416 CO 0.15 0.01 0.00 0.09 0.09 0.00 0.00 178.83 179.17 3g58 n ASN 417 N -4.40 4.04 -4.79 0.06 3.02 -1.26 -4.91 115.26 107.02 3g58 n ASN 417 Ca -0.03 -2.22 -0.36 0.00 -0.03 0.00 0.00 54.58 51.94 3g58 n ASN 417 Cb 0.10 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 38.75 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 -1.41 4.17 0.89 3.41 1.02 -0.75 -4.89 118.68 121.13 3g58 s LEU 418 Ca 0.44 1.92 -0.11 0.00 0.02 0.00 0.00 54.13 56.40 3g58 s LEU 418 Cb 0.26 -4.18 0.13 0.00 0.02 0.00 0.00 46.19 42.41 3g58 s LEU 418 CO 0.25 -0.34 1.09 0.42 0.02 0.00 0.00 176.35 177.80 3g58 s THR 419 N -1.72 2.69 0.18 5.49 -4.23 -1.26 -4.78 115.64 112.01 3g58 s THR 419 Ca 0.56 0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 61.17 3g58 s THR 419 Cb -0.19 -2.65 0.09 0.00 1.34 0.00 0.00 72.50 71.09 3g58 s THR 419 CO 0.24 -0.29 1.77 0.50 -0.54 0.00 0.00 174.62 176.30 3g58 h LYS 420 N -1.56 0.43 -0.58 3.99 3.64 -1.97 0.22 116.57 120.73 3g58 h LYS 420 Ca -0.49 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3g58 h LYS 420 Cb 1.28 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 3g58 h LYS 420 CO 0.53 0.28 0.36 -0.22 -2.27 0.00 0.00 179.45 178.13 3g58 h LYS 421 N 0.44 0.79 -0.47 1.90 3.64 -1.99 -0.70 116.57 120.17 3g58 h LYS 421 Ca 0.24 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3g58 h LYS 421 Cb 0.20 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3g58 h LYS 421 CO -0.20 0.56 0.30 1.96 -2.27 0.00 0.00 179.45 179.80 3g58 h GLN 422 N 0.79 0.63 -0.57 1.90 4.20 -1.77 -1.38 115.11 118.90 3g58 h GLN 422 Ca 0.21 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 3g58 h GLN 422 Cb -0.03 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.59 3g58 h GLN 422 CO -0.04 0.44 0.23 0.00 -0.67 0.00 0.00 178.83 178.78 3g58 h ARG 423 N 0.63 0.86 -0.31 1.46 3.08 -0.69 -0.30 114.38 119.11 3g58 h ARG 423 Ca 0.17 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3g58 h ARG 423 Cb -0.04 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3g58 h ARG 423 CO -0.03 0.74 0.20 0.37 -1.07 0.00 0.00 179.97 180.18 3g58 h GLN 424 N 0.79 0.41 -0.18 0.04 4.15 -1.00 0.65 115.11 119.98 3g58 h GLN 424 Ca 0.19 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 3g58 h GLN 424 Cb 0.21 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3g58 h GLN 424 CO -0.02 0.29 0.03 1.03 -1.93 0.00 0.00 178.83 178.23 3g58 h SER 425 N 0.42 0.28 -0.63 -0.69 0.87 -1.08 -2.36 113.55 110.36 3g58 h SER 425 Ca 0.11 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.44 3g58 h SER 425 Cb -0.03 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 61.81 3g58 h SER 425 CO -0.02 0.46 0.40 0.25 -0.53 0.00 0.00 176.83 177.39 3g58 h LEU 426 N 0.08 0.66 0.07 2.23 5.85 -0.97 -1.92 115.31 121.32 3g58 h LEU 426 Ca 0.05 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3g58 h LEU 426 Cb 0.30 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3g58 h LEU 426 CO 0.00 0.47 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.41 3g58 h ARG 427 N 0.79 -0.16 -0.74 1.25 2.43 -0.80 -0.50 114.38 116.65 3g58 h ARG 427 Ca 0.25 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.50 3g58 h ARG 427 Cb -0.02 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.51 3g58 h ARG 427 CO -0.09 -0.11 0.42 -0.22 -1.51 0.00 0.00 179.97 178.47 3g58 h LYS 428 N -0.16 0.72 -0.19 0.20 3.64 -1.24 -1.65 116.57 117.88 3g58 h LYS 428 Ca 0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3g58 h LYS 428 Cb 0.16 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3g58 h LYS 428 CO -0.02 0.48 0.05 0.52 -2.27 0.00 0.00 179.45 178.21 3g58 h MET 429 N 0.75 0.31 -0.60 1.90 2.86 -1.06 -0.97 114.93 118.12 3g58 h MET 429 Ca 0.34 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.93 3g58 h MET 429 Cb 0.25 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3g58 h MET 429 CO -0.21 0.43 0.38 0.28 1.06 0.00 0.00 176.91 178.85 3g58 h VAL 430 N 0.13 1.11 -0.13 -2.22 2.07 -0.92 -0.64 116.25 115.65 3g58 h VAL 430 Ca 0.06 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 3g58 h VAL 430 Cb 0.26 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3g58 h VAL 430 CO -0.00 0.14 0.08 0.40 0.02 0.00 0.00 177.57 178.21 3g58 h ILE 431 N 0.76 1.05 -0.97 4.57 2.04 -1.14 -0.61 117.51 123.21 3g58 h ILE 431 Ca 0.23 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.99 3g58 h ILE 431 Cb -0.03 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 3g58 h ILE 431 CO -0.08 0.05 0.63 0.44 0.00 0.00 0.00 178.15 179.19 3g58 h ASP 432 N 0.15 1.06 0.15 1.72 3.45 -0.75 -1.51 116.42 120.69 3g58 h ASP 432 Ca 0.05 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.49 3g58 h ASP 432 Cb 0.01 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.54 3g58 h ASP 432 CO -0.01 0.73 -0.07 0.40 -1.57 0.00 0.00 179.24 178.72 3g58 h ILE 433 N 1.23 0.99 -0.51 0.35 2.04 -0.80 -3.01 117.51 117.80 3g58 h ILE 433 Ca 0.38 -1.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 3g58 h ILE 433 Cb -0.02 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3g58 h ILE 433 CO -0.12 0.22 0.07 0.58 0.00 0.00 0.00 178.15 178.91 3g58 h VAL 434 N -0.71 1.23 -0.45 1.67 2.07 -1.00 -2.53 116.25 116.53 3g58 h VAL 434 Ca -0.02 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 3g58 h VAL 434 Cb 0.51 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 3g58 h VAL 434 CO 0.03 0.32 0.03 -0.07 0.02 0.00 0.00 177.57 177.91 3g58 h LEU 435 N 0.77 0.67 0.00 2.57 3.38 -1.36 -1.47 115.31 119.87 3g58 h LEU 435 Ca 0.16 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3g58 h LEU 435 Cb 0.36 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3g58 h LEU 435 CO 0.01 0.72 0.00 0.00 0.09 0.00 0.00 178.44 179.26 3g58 n ALA 436 N -2.47 1.35 1.01 1.53 0.00 -0.96 -2.37 120.51 118.60 3g58 n ALA 436 Ca 0.03 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.57 3g58 n ALA 436 Cb 0.26 -1.10 0.35 0.00 0.00 0.00 0.00 19.45 18.96 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 -1.41 0.00 -1.68 0.00 -2.24 -0.55 -4.80 114.28 103.59 3g58 n THR 437 Ca 0.02 -0.00 -0.47 0.00 -2.27 0.00 0.00 64.05 61.33 3g58 n THR 437 Cb 0.06 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.47 3.62 0.23 3.42 -0.08 -1.00 -4.85 116.55 116.42 3g58 n ASP 438 Ca 0.06 0.96 0.06 0.00 -1.51 0.00 0.00 54.79 54.36 3g58 n ASP 438 Cb 0.34 -1.41 0.52 0.00 2.34 0.00 0.00 41.12 42.91 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 9.49 0.01 0.00 -0.67 2.86 -1.91 -1.47 114.93 123.24 3g58 h MET 439 Ca -0.49 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3g58 h MET 439 Cb 1.26 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.92 3g58 h MET 439 CO 0.95 0.16 0.00 0.66 1.06 0.00 0.00 176.91 179.74 3g58 h SER 440 N 0.01 0.00 -0.04 1.22 4.64 -1.97 -0.70 113.55 116.71 3g58 h SER 440 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3g58 h SER 440 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3g58 h SER 440 CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 3g58 n LYS 441 N -2.40 2.00 -0.04 4.77 5.02 -0.55 -4.65 118.16 122.30 3g58 n LYS 441 Ca -0.01 -1.45 -0.08 0.00 -2.02 0.00 0.00 58.31 54.74 3g58 n LYS 441 Cb 0.07 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 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 3.50 -0.49 -0.40 2.13 2.76 -1.24 -2.12 115.15 119.30 3g58 h HIS 442 Ca 0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 3g58 h HIS 442 Cb 0.74 0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.93 3g58 h HIS 442 CO 0.01 -0.26 0.22 0.52 -1.30 0.00 0.00 177.93 177.12 3g58 h MET 443 N -0.20 0.55 -0.59 5.26 2.86 -1.82 0.87 114.93 121.85 3g58 h MET 443 Ca 0.13 -0.06 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 3g58 h MET 443 Cb 0.39 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3g58 h MET 443 CO -0.33 0.44 0.06 -0.91 1.06 0.00 0.00 176.91 177.23 3g58 h ASN 444 N 0.51 0.94 -0.21 1.22 4.21 -1.87 0.16 115.58 120.55 3g58 h ASN 444 Ca 0.14 -0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.42 3g58 h ASN 444 Cb 0.04 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 36.98 3g58 h ASN 444 CO -0.02 0.97 0.13 0.25 -1.29 0.00 0.00 177.43 177.46 3g58 h LEU 445 N 0.92 0.24 -0.43 1.61 5.85 -0.89 -1.52 115.31 121.09 3g58 h LEU 445 Ca 0.18 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3g58 h LEU 445 Cb 0.45 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3g58 h LEU 445 CO 0.02 0.19 0.15 0.25 -0.34 0.00 0.00 178.44 178.70 3g58 h LEU 446 N 0.27 0.62 -0.31 2.25 5.85 -0.61 -1.75 115.31 121.62 3g58 h LEU 446 Ca 0.08 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.66 3g58 h LEU 446 Cb -0.01 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.80 3g58 h LEU 446 CO -0.02 0.64 -0.07 0.00 -0.34 0.00 0.00 178.44 178.65 3g58 h ALA 447 N 1.00 0.21 -0.03 1.25 0.00 -0.51 -0.27 119.26 120.91 3g58 h ALA 447 Ca 0.14 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 55.05 3g58 h ALA 447 Cb 0.24 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3g58 h ALA 447 CO -0.01 -0.46 -0.53 -0.44 0.00 0.00 0.00 179.25 177.82 3g58 h ASP 448 N 0.00 0.10 -0.51 0.00 5.19 -1.21 -2.06 116.42 117.93 3g58 h ASP 448 Ca 0.15 -0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 56.43 3g58 h ASP 448 Cb 0.23 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 3g58 h ASP 448 CO -0.32 0.61 0.02 0.25 -3.12 0.00 0.00 179.24 176.68 3g58 h LEU 449 N 0.07 0.90 -0.31 1.55 5.85 -0.64 -1.36 115.31 121.36 3g58 h LEU 449 Ca -0.00 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.48 3g58 h LEU 449 Cb 0.96 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3g58 h LEU 449 CO 0.07 0.94 0.13 0.11 -0.34 0.00 0.00 178.44 179.35 3g58 h LYS 450 N 0.86 0.47 -0.74 1.25 1.57 -0.63 -1.38 116.57 117.97 3g58 h LYS 450 Ca 0.16 -0.08 0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3g58 h LYS 450 Cb 0.48 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 3g58 h LYS 450 CO 0.02 0.47 0.49 1.15 -0.57 0.00 0.00 179.45 181.01 3g58 h THR 451 N 0.36 1.13 -0.42 -0.16 2.02 -1.19 -1.91 112.91 112.73 3g58 h THR 451 Ca 0.10 -0.31 -0.13 0.00 0.77 0.00 0.00 66.41 66.84 3g58 h THR 451 Cb 0.18 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3g58 h THR 451 CO -0.01 0.17 -0.24 -0.03 0.37 0.00 0.00 175.52 175.78 3g58 h MET 452 N 0.92 0.91 -0.19 6.66 1.85 -1.03 -2.72 114.93 121.33 3g58 h MET 452 Ca 0.29 -0.41 -0.04 0.00 -0.61 0.00 0.00 59.70 58.92 3g58 h MET 452 Cb 0.03 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.03 3g58 h MET 452 CO -0.08 1.07 -0.07 0.28 -0.40 0.00 0.00 176.91 177.71 3g58 h VAL 453 N 0.74 1.16 -0.10 -5.77 2.07 -0.52 -0.11 116.25 113.72 3g58 h VAL 453 Ca 0.09 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3g58 h VAL 453 Cb 0.82 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3g58 h VAL 453 CO 0.07 0.22 0.03 -0.33 0.02 0.00 0.00 177.57 177.57 3g58 h GLU 454 N 0.28 0.17 0.00 1.57 5.08 -1.26 -2.94 114.58 117.47 3g58 h GLU 454 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3g58 h GLU 454 Cb 0.30 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3g58 h GLU 454 CO 0.01 0.34 0.00 2.41 -1.00 0.00 0.00 179.01 180.77 3g58 n THR 455 N -4.87 0.25 -1.42 1.13 -1.04 -0.92 -4.95 114.28 102.46 3g58 n THR 455 Ca -0.06 0.06 -0.55 0.00 -2.04 0.00 0.00 64.05 61.46 3g58 n THR 455 Cb 0.15 -0.68 -0.08 0.00 -1.82 0.00 0.00 70.33 67.90 3g58 n THR 455 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3g58 n LYS 456 N -1.28 0.00 -4.48 -2.82 4.81 -0.10 -4.97 118.16 109.32 3g58 n LYS 456 Ca 0.11 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.21 3g58 n LYS 456 Cb 0.18 -1.24 -0.11 0.00 0.02 0.00 0.00 35.03 33.88 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 2.14 3.27 0.07 1.64 1.02 -1.26 -5.09 119.74 121.53 3g58 s LYS 457 Ca 0.85 -0.52 0.05 0.00 0.02 0.00 0.00 55.97 56.38 3g58 s LYS 457 Cb -1.22 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 33.28 3g58 s LYS 457 CO 0.65 0.45 -0.14 0.54 -0.92 0.00 0.00 175.35 175.93 3g58 s VAL 458 N -0.20 1.06 1.04 3.17 0.11 -1.26 -1.68 120.40 122.64 3g58 s VAL 458 Ca 0.03 -1.25 -0.17 0.00 -2.93 0.00 0.00 61.98 57.66 3g58 s VAL 458 Cb -0.13 -1.02 0.23 0.00 -1.53 0.00 0.00 36.38 33.93 3g58 s VAL 458 CO 0.02 -0.21 1.26 0.28 -3.33 0.00 0.00 175.10 173.12 3g58 s THR 459 N -1.23 1.87 0.14 5.04 -1.32 0.80 -4.89 115.64 116.05 3g58 s THR 459 Ca -0.02 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.28 3g58 s THR 459 Cb -0.10 -2.84 -0.01 0.00 -1.51 0.00 0.00 72.50 68.05 3g58 s THR 459 CO 0.02 0.00 1.75 0.28 -2.21 0.00 0.00 174.62 174.46 3g58 h SER 460 N -1.95 0.11 -0.98 8.08 0.02 -2.02 -2.10 113.55 114.70 3g58 h SER 460 Ca -0.44 0.03 0.20 0.00 -0.84 0.00 0.00 61.79 60.73 3g58 h SER 460 Cb 1.25 0.02 -0.10 0.00 0.14 0.00 0.00 62.40 63.72 3g58 h SER 460 CO 0.36 0.10 0.61 -1.28 -1.14 0.00 0.00 176.83 175.49 3g58 h SER 461 N 0.23 0.68 0.00 3.07 0.87 -2.05 -3.46 113.55 112.90 3g58 h SER 461 Ca 0.13 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3g58 h SER 461 Cb 0.10 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3g58 h SER 461 CO -0.14 0.25 0.00 0.61 -0.53 0.00 0.00 176.83 177.02 3g58 n GLY 462 N -1.38 0.87 3.77 5.77 0.00 -0.79 -5.12 105.19 108.31 3g58 n GLY 462 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3g58 n GLY 462 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g58 s VAL 463 N -2.00 3.24 0.46 1.61 1.01 -1.26 -4.66 120.40 118.80 3g58 s VAL 463 Ca 0.00 0.90 -0.22 0.00 0.00 0.00 0.00 61.98 62.66 3g58 s VAL 463 Cb 0.00 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.86 3g58 s VAL 463 CO 0.00 -0.04 1.09 -0.22 0.00 0.00 0.00 175.10 175.93 3g58 s LEU 464 N -3.10 3.97 -0.23 3.92 2.96 0.14 -0.14 118.68 126.19 3g58 s LEU 464 Ca 0.64 2.09 0.02 0.00 -0.22 0.00 0.00 54.13 56.67 3g58 s LEU 464 Cb -0.26 -4.36 0.05 0.00 0.50 0.00 0.00 46.19 42.12 3g58 s LEU 464 CO 0.32 -0.78 -0.12 -0.22 -1.32 0.00 0.00 176.35 174.24 3g58 s LEU 465 N -3.13 2.94 -0.29 -0.68 2.96 -0.68 -4.80 118.68 115.01 3g58 s LEU 465 Ca 0.64 -1.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 3g58 s LEU 465 Cb -0.22 -1.44 0.08 0.00 0.50 0.00 0.00 46.19 45.11 3g58 s LEU 465 CO 0.27 -0.16 0.01 -0.76 -1.32 0.00 0.00 176.35 174.39 3g58 s LEU 466 N 1.22 3.43 -0.02 -0.68 1.43 -1.26 -4.59 118.68 118.21 3g58 s LEU 466 Ca -0.05 -1.66 -0.21 0.00 -1.03 0.00 0.00 54.13 51.18 3g58 s LEU 466 Cb -0.18 -1.33 -0.13 0.00 0.03 0.00 0.00 46.19 44.57 3g58 s LEU 466 CO -0.07 -0.32 0.93 0.44 0.23 0.00 0.00 176.35 177.56 3g58 h ASP 467 N 7.83 -0.48 -1.12 2.29 3.45 -1.98 -3.45 116.42 122.95 3g58 h ASP 467 Ca -0.12 -0.09 -0.63 0.00 0.43 0.00 0.00 57.03 56.63 3g58 h ASP 467 Cb 1.04 0.12 -0.11 0.00 -0.56 0.00 0.00 39.33 39.82 3g58 h ASP 467 CO 0.47 -0.06 -0.52 0.54 -1.57 0.00 0.00 179.24 178.10 3g58 s ASN 468 N -4.93 4.16 0.26 6.45 4.22 -1.26 -5.01 114.94 118.82 3g58 s ASN 468 Ca -0.12 -1.38 -0.01 0.00 -2.14 0.00 0.00 52.86 49.21 3g58 s ASN 468 Cb 0.01 -0.05 0.49 0.00 1.28 0.00 0.00 41.25 42.99 3g58 s ASN 468 CO 0.39 -0.66 1.80 0.22 -2.04 0.00 0.00 177.10 176.82 3g58 h TYR 469 N 1.46 0.94 -0.50 1.54 3.20 -1.99 -1.76 116.97 119.86 3g58 h TYR 469 Ca -0.43 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.52 3g58 h TYR 469 Cb 1.27 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 3g58 h TYR 469 CO 0.99 0.34 0.25 1.03 -1.64 0.00 0.00 178.16 179.12 3g58 h SER 470 N 0.81 0.36 -0.27 -2.11 0.87 -1.98 0.10 113.55 111.33 3g58 h SER 470 Ca 0.45 0.03 -0.14 0.00 -1.23 0.00 0.00 61.79 60.90 3g58 h SER 470 Cb 0.50 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.42 3g58 h SER 470 CO -0.29 0.25 -0.39 0.44 -0.53 0.00 0.00 176.83 176.31 3g58 h ASP 471 N 0.49 0.81 -0.18 6.23 3.32 -1.88 -2.49 116.42 122.73 3g58 h ASP 471 Ca 0.22 -0.51 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 3g58 h ASP 471 Cb 0.13 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3g58 h ASP 471 CO -0.16 1.16 0.06 0.03 -1.72 0.00 0.00 179.24 178.61 3g58 h ARG 472 N 0.48 0.27 -0.14 3.56 3.08 -0.93 -2.37 114.38 118.33 3g58 h ARG 472 Ca 0.03 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.89 3g58 h ARG 472 Cb 0.98 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 3g58 h ARG 472 CO 0.09 0.38 -0.47 0.97 -1.07 0.00 0.00 179.97 179.87 3g58 h ILE 473 N 0.11 1.33 -0.59 2.04 6.09 -0.91 -1.79 117.51 123.79 3g58 h ILE 473 Ca 0.06 -1.68 0.01 0.00 -1.37 0.00 0.00 64.86 61.87 3g58 h ILE 473 Cb 0.22 1.74 -0.03 0.00 0.47 0.00 0.00 36.82 39.23 3g58 h ILE 473 CO -0.00 0.51 0.39 -0.61 -3.07 0.00 0.00 178.15 175.37 3g58 h GLN 474 N 0.28 0.78 -0.54 2.19 4.15 -1.38 0.40 115.11 120.99 3g58 h GLN 474 Ca 0.02 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.34 3g58 h GLN 474 Cb 0.94 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.43 3g58 h GLN 474 CO 0.08 0.52 0.13 0.28 -1.93 0.00 0.00 178.83 177.91 3g58 h VAL 475 N 0.81 1.24 -0.53 2.39 2.07 -1.18 -1.14 116.25 119.91 3g58 h VAL 475 Ca 0.22 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.79 3g58 h VAL 475 Cb -0.09 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 3g58 h VAL 475 CO -0.05 0.32 0.01 -0.07 0.02 0.00 0.00 177.57 177.80 3g58 h LEU 476 N 0.77 0.91 -0.33 2.57 3.38 -1.03 0.15 115.31 121.72 3g58 h LEU 476 Ca 0.17 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3g58 h LEU 476 Cb 0.34 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 3g58 h LEU 476 CO 0.00 0.99 0.17 1.56 0.09 0.00 0.00 178.44 181.25 3g58 h GLN 477 N 0.80 0.35 -0.19 1.13 4.20 -0.04 -1.52 115.11 119.84 3g58 h GLN 477 Ca 0.15 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.70 3g58 h GLN 477 Cb 0.51 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3g58 h GLN 477 CO 0.02 0.23 -0.46 -0.91 -0.67 0.00 0.00 178.83 177.04 3g58 h ASN 478 N 0.36 0.53 -0.10 1.46 2.35 -1.02 -1.60 115.58 117.55 3g58 h ASN 478 Ca 0.13 -0.25 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3g58 h ASN 478 Cb 0.03 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3g58 h ASN 478 CO -0.08 0.92 0.04 -0.03 -1.65 0.00 0.00 177.43 176.62 3g58 h MET 479 N 0.40 0.09 -0.18 0.81 4.05 -0.32 0.20 114.93 119.99 3g58 h MET 479 Ca 0.02 -0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 59.27 3g58 h MET 479 Cb 0.96 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.74 3g58 h MET 479 CO 0.09 0.06 -0.59 0.28 0.23 0.00 0.00 176.91 176.97 3g58 h VAL 480 N 0.09 1.32 -0.62 -5.77 2.07 -1.25 -0.84 116.25 111.25 3g58 h VAL 480 Ca 0.04 -1.85 0.03 0.00 0.82 0.00 0.00 66.70 65.74 3g58 h VAL 480 Cb 0.02 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3g58 h VAL 480 CO -0.04 0.58 0.38 -0.74 0.02 0.00 0.00 177.57 177.76 3g58 h HIS 481 N 0.43 0.70 -0.75 1.57 6.17 -1.15 0.12 115.15 122.24 3g58 h HIS 481 Ca -0.00 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.09 3g58 h HIS 481 Cb 1.15 -0.23 -0.04 0.00 2.52 0.00 0.00 27.41 30.82 3g58 h HIS 481 CO 0.05 0.39 0.43 0.00 0.71 0.00 0.00 177.93 179.52 3g58 h ALA 483 N 1.23 0.68 -0.85 0.00 0.00 -0.71 -1.39 119.26 118.22 3g58 h ALA 483 Ca 0.27 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.17 3g58 h ALA 483 Cb -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3g58 h ALA 483 CO -0.05 0.10 0.56 0.22 0.00 0.00 0.00 179.25 180.08 3g58 h ASP 484 N 0.70 0.93 -1.07 0.00 3.58 -0.59 -2.52 116.42 117.45 3g58 h ASP 484 Ca 0.20 -0.02 -0.67 0.00 0.42 0.00 0.00 57.03 56.97 3g58 h ASP 484 Cb -0.06 -0.22 -0.31 0.00 1.72 0.00 0.00 39.33 40.46 3g58 h ASP 484 CO -0.06 0.65 0.59 0.18 -2.88 0.00 0.00 179.24 177.73 3g58 n LEU 485 N -4.43 7.19 -0.15 2.28 4.77 -0.32 -4.64 117.00 121.70 3g58 n LEU 485 Ca 0.11 -4.44 0.09 0.00 -0.03 0.00 0.00 56.01 51.74 3g58 n LEU 485 Cb 0.08 -0.88 -0.07 0.00 -2.33 0.00 0.00 43.42 40.23 3g58 n LEU 485 CO 0.35 1.62 0.07 -1.54 -1.33 0.00 0.00 177.39 176.56 3g58 n SER 486 N -0.84 1.21 -0.24 -1.43 3.41 -0.57 -4.66 113.62 110.50 3g58 n SER 486 Ca 0.59 -1.11 0.01 0.00 -0.26 0.00 0.00 58.87 58.10 3g58 n SER 486 Cb 0.67 0.81 0.13 0.00 -0.26 0.00 0.00 64.21 65.56 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 0.76 0.48 0.61 4.04 -0.26 -1.82 -0.38 115.58 119.00 3g58 h ASN 487 Ca 0.00 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 3g58 h ASN 487 Cb 0.51 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 3g58 h ASN 487 CO 0.00 0.28 0.00 -2.65 -1.06 0.00 0.00 177.43 174.00 3g58 n PRO 488 N -4.85 0.05 -0.05 0.81 -0.02 -1.26 -2.41 135.00 127.26 3g58 n PRO 488 Ca 0.11 0.27 0.12 0.00 -2.02 0.00 0.00 63.50 61.97 3g58 n PRO 488 Cb 0.26 -1.58 0.40 0.00 -0.02 0.00 0.00 33.50 32.55 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 -1.67 0.14 -3.86 3.45 -2.24 -0.16 -4.23 114.28 105.72 3g58 n THR 489 Ca 0.04 -0.36 -0.27 0.00 -2.27 0.00 0.00 64.05 61.19 3g58 n THR 489 Cb 0.20 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.86 3.47 0.18 -0.78 -0.14 -1.01 -4.63 119.74 114.96 3g58 s LYS 490 Ca 0.35 -0.51 -0.30 0.00 -1.36 0.00 0.00 55.97 54.15 3g58 s LYS 490 Cb 0.19 -2.93 -0.17 0.00 -1.68 0.00 0.00 37.83 33.25 3g58 s LYS 490 CO 0.30 0.48 0.65 -2.30 -0.76 0.00 0.00 175.35 173.73 3g58 n PRO 491 N -0.56 0.15 0.10 -1.68 -0.02 -1.26 -4.43 135.00 127.29 3g58 n PRO 491 Ca -0.06 0.05 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 3g58 n PRO 491 Cb 0.54 -1.17 0.54 0.00 -0.02 0.00 0.00 33.50 33.39 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 1.42 0.24 -1.51 2.45 5.85 -1.95 0.51 115.31 122.32 3g58 h LEU 492 Ca -0.32 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 3g58 h LEU 492 Cb 1.43 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 3g58 h LEU 492 CO 0.59 0.17 -0.25 0.06 -0.34 0.00 0.00 178.44 178.66 3g58 h GLN 493 N 0.28 0.00 0.10 1.25 -0.00 -2.01 -1.24 115.11 113.49 3g58 h GLN 493 Ca 0.11 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.75 3g58 h GLN 493 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.58 3g58 h GLN 493 CO -0.02 0.25 -0.05 -0.07 -0.00 0.00 0.00 178.83 178.94 3g58 h LEU 494 N 0.00 -0.11 -0.68 0.06 3.38 -1.22 -3.29 115.31 113.45 3g58 h LEU 494 Ca -0.00 -0.44 0.14 0.00 0.09 0.00 0.00 57.88 57.67 3g58 h LEU 494 Cb 0.47 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.12 3g58 h LEU 494 CO 0.03 0.52 -0.10 0.22 0.09 0.00 0.00 178.44 179.21 3g58 h TYR 495 N -0.89 -0.23 -0.83 1.13 3.20 -1.35 -1.56 116.97 116.44 3g58 h TYR 495 Ca -0.01 0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.92 3g58 h TYR 495 Cb 0.55 0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.99 3g58 h TYR 495 CO 0.11 -0.26 0.54 0.00 -1.64 0.00 0.00 178.16 176.92 3g58 h ARG 496 N 0.04 1.09 -0.63 1.82 3.08 -1.37 0.41 114.38 118.83 3g58 h ARG 496 Ca 0.34 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.26 3g58 h ARG 496 Cb 0.56 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3g58 h ARG 496 CO -0.66 0.73 0.14 1.96 -1.07 0.00 0.00 179.97 181.07 3g58 h GLN 497 N 1.12 1.02 -0.48 0.04 4.20 -1.37 -0.27 115.11 119.37 3g58 h GLN 497 Ca 0.30 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 3g58 h GLN 497 Cb -0.12 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 3g58 h GLN 497 CO -0.06 0.93 0.11 -1.49 -0.67 0.00 0.00 178.83 177.65 3g58 h TRP 498 N 0.94 0.82 -0.00 2.96 -0.00 -0.65 -1.04 115.95 118.98 3g58 h TRP 498 Ca 0.20 -0.10 0.00 0.00 -0.00 0.00 0.00 58.89 58.99 3g58 h TRP 498 Cb 0.38 -0.23 -0.00 0.00 -0.00 0.00 0.00 29.16 29.31 3g58 h TRP 498 CO 0.03 0.75 -0.01 1.15 -0.00 0.00 0.00 178.44 180.36 3g58 h THR 499 N 0.66 0.98 -1.00 1.49 2.02 -0.87 -0.61 112.91 115.59 3g58 h THR 499 Ca 0.15 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.48 3g58 h THR 499 Cb 0.35 0.98 -0.09 0.00 -1.74 0.00 0.00 68.15 67.64 3g58 h THR 499 CO 0.00 0.00 0.62 0.44 0.37 0.00 0.00 175.52 176.95 3g58 h ASP 500 N -0.01 0.84 -0.04 4.18 3.32 -0.84 -1.76 116.42 122.10 3g58 h ASP 500 Ca 0.00 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.06 3g58 h ASP 500 Cb 0.02 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3g58 h ASP 500 CO -0.01 0.38 -0.21 0.03 -1.72 0.00 0.00 179.24 177.71 3g58 h ARG 501 N 0.86 0.22 -0.40 3.56 3.08 -0.78 -2.51 114.38 118.42 3g58 h ARG 501 Ca 0.53 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.33 3g58 h ARG 501 Cb 0.70 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 3g58 h ARG 501 CO -0.31 0.83 -0.01 0.97 -1.07 0.00 0.00 179.97 180.38 3g58 h ILE 502 N -0.33 1.22 -0.46 2.04 6.09 -0.97 -1.32 117.51 123.78 3g58 h ILE 502 Ca -0.01 -0.92 -0.14 0.00 -1.37 0.00 0.00 64.86 62.42 3g58 h ILE 502 Cb 0.87 0.93 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 3g58 h ILE 502 CO 0.04 0.32 -0.25 0.24 -3.07 0.00 0.00 178.15 175.43 3g58 h MET 503 N 0.61 0.97 -0.87 2.19 2.86 -1.37 0.30 114.93 119.62 3g58 h MET 503 Ca 0.12 -0.43 0.02 0.00 -2.06 0.00 0.00 59.70 57.35 3g58 h MET 503 Cb 0.40 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 3g58 h MET 503 CO 0.02 1.10 0.57 1.49 1.06 0.00 0.00 176.91 181.15 3g58 h GLU 504 N 0.83 1.12 -0.25 1.72 4.81 -1.04 0.12 114.58 121.89 3g58 h GLU 504 Ca 0.10 -0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.15 3g58 h GLU 504 Cb 0.83 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 3g58 h GLU 504 CO 0.07 0.74 -0.30 1.49 -0.73 0.00 0.00 179.01 180.28 3g58 h GLU 505 N 1.15 0.64 -0.43 1.92 4.81 -0.81 -1.62 114.58 120.25 3g58 h GLU 505 Ca 0.33 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3g58 h GLU 505 Cb -0.08 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3g58 h GLU 505 CO -0.09 0.97 0.22 0.74 -0.73 0.00 0.00 179.01 180.12 3g58 h PHE 506 N 0.36 0.61 -0.23 0.92 -1.00 -0.77 -2.29 116.94 114.53 3g58 h PHE 506 Ca 0.03 -0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.71 3g58 h PHE 506 Cb 0.88 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.23 3g58 h PHE 506 CO 0.08 0.48 -0.18 0.74 -1.61 0.00 0.00 178.31 177.82 3g58 h PHE 507 N 0.55 0.44 -0.43 -0.55 0.04 -0.68 -0.43 116.94 115.88 3g58 h PHE 507 Ca 0.15 -0.07 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 3g58 h PHE 507 Cb 0.10 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 3g58 h PHE 507 CO -0.01 0.58 0.10 0.00 -0.60 0.00 0.00 178.31 178.37 3g58 h ARG 508 N 0.37 0.69 -0.63 1.51 3.08 -1.14 -0.51 114.38 117.76 3g58 h ARG 508 Ca 0.07 -0.17 0.04 0.00 0.07 0.00 0.00 59.98 59.99 3g58 h ARG 508 Cb 0.54 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.46 3g58 h ARG 508 CO 0.04 0.70 0.37 0.37 -1.07 0.00 0.00 179.97 180.37 3g58 h GLN 509 N 0.56 0.69 -0.96 0.04 4.15 -0.93 -1.74 115.11 116.92 3g58 h GLN 509 Ca 0.13 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 3g58 h GLN 509 Cb 0.32 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 27.81 3g58 h GLN 509 CO 0.00 0.45 0.59 0.78 -1.93 0.00 0.00 178.83 178.72 3g58 h GLY 510 N 0.71 1.39 1.17 2.39 0.00 -0.83 0.11 103.07 108.01 3g58 h GLY 510 Ca 0.27 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 3g58 h GLY 510 CO -0.14 0.55 0.24 -0.55 0.00 0.00 0.00 176.54 176.64 3g58 h ASP 511 N 1.32 0.97 -0.26 0.19 3.32 -0.73 0.27 116.42 121.50 3g58 h ASP 511 Ca 0.35 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 3g58 h ASP 511 Cb -0.07 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3g58 h ASP 511 CO -0.07 0.89 -0.12 0.03 -1.72 0.00 0.00 179.24 178.26 3g58 h ARG 512 N 1.01 0.53 -0.25 3.56 3.08 -0.75 -0.64 114.38 120.93 3g58 h ARG 512 Ca 0.23 -0.23 0.04 0.00 0.07 0.00 0.00 59.98 60.09 3g58 h ARG 512 Cb 0.25 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3g58 h ARG 512 CO -0.01 0.78 0.02 0.93 -1.07 0.00 0.00 179.97 180.62 3g58 h GLU 513 N 0.26 0.10 -0.03 0.04 5.08 -0.58 -1.81 114.58 117.65 3g58 h GLU 513 Ca 0.06 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3g58 h GLU 513 Cb 0.62 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3g58 h GLU 513 CO 0.04 0.07 -0.03 -0.09 -1.00 0.00 0.00 179.01 177.99 3g58 h ARG 514 N 0.10 -0.04 0.00 2.33 2.43 -0.31 -0.02 114.38 118.88 3g58 h ARG 514 Ca 0.12 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3g58 h ARG 514 Cb 0.14 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3g58 h ARG 514 CO -0.18 -0.02 -0.11 1.05 -1.51 0.00 0.00 179.97 179.19 3g58 h GLU 515 N -0.04 0.00 -0.01 0.20 4.11 -1.02 -1.75 114.58 116.07 3g58 h GLU 515 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 3g58 h GLU 515 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3g58 h GLU 515 CO -0.06 0.11 -0.21 0.54 0.07 0.00 0.00 179.01 179.47 3g58 n ARG 516 N -3.64 0.88 -1.07 1.06 1.74 -0.69 -4.94 116.66 110.00 3g58 n ARG 516 Ca -0.02 -0.49 -0.03 0.00 -0.77 0.00 0.00 57.85 56.55 3g58 n ARG 516 Cb 0.24 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.17 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 1.31 0.58 3.89 -0.13 0.00 -0.55 -5.04 105.19 105.25 3g58 n GLY 517 Ca 0.13 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.16 3.69 0.23 1.61 -1.94 -0.13 -5.02 119.30 115.59 3g58 s MET 518 Ca 0.00 0.26 -0.32 0.00 -1.71 0.00 0.00 55.69 53.93 3g58 s MET 518 Cb 0.00 -2.48 -0.13 0.00 2.01 0.00 0.00 34.83 34.23 3g58 s MET 518 CO 0.00 0.02 1.47 -1.91 -0.01 0.00 0.00 175.02 174.59 3g58 n GLU 519 N -1.34 2.15 -2.73 2.03 2.13 -1.26 -4.36 120.64 117.26 3g58 n GLU 519 Ca 0.01 0.77 -0.42 0.00 0.66 0.00 0.00 57.16 58.18 3g58 n GLU 519 Cb 0.54 -2.47 -0.03 0.00 0.27 0.00 0.00 31.44 29.75 3g58 n GLU 519 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3g58 s ILE 520 N 0.17 4.80 0.67 6.31 1.01 -1.26 -4.91 121.20 128.00 3g58 s ILE 520 Ca 0.70 2.03 -0.16 0.00 0.00 0.00 0.00 60.65 63.22 3g58 s ILE 520 Cb -0.63 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 37.54 3g58 s ILE 520 CO 0.47 0.20 1.17 -0.44 0.00 0.00 0.00 174.94 176.34 3g58 s SER 521 N 0.79 4.74 0.20 3.58 0.01 -1.26 -4.91 113.70 116.85 3g58 s SER 521 Ca 0.50 2.23 -0.32 0.00 1.31 0.00 0.00 55.95 59.67 3g58 s SER 521 Cb -0.21 -2.58 -0.14 0.00 0.21 0.00 0.00 66.02 63.30 3g58 s SER 521 CO 0.28 -1.89 1.35 -2.65 0.41 0.00 0.00 173.24 170.74 3g58 n PRO 522 N -2.35 1.74 -0.92 12.44 -0.02 -1.26 -1.67 135.00 142.96 3g58 n PRO 522 Ca 0.12 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3g58 n PRO 522 Cb 0.51 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3g58 n PRO 522 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3g58 n MET 523 N 2.12 -0.38 -0.14 -0.52 2.81 -1.26 -4.88 117.12 114.87 3g58 n MET 523 Ca 0.14 0.10 0.08 0.00 -1.81 0.00 0.00 57.70 56.20 3g58 n MET 523 Cb 0.28 -3.49 0.15 0.00 -0.71 0.00 0.00 33.22 29.46 3g58 n MET 523 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3g58 s ASP 525 N -1.18 6.07 0.60 0.00 -1.08 -1.26 -3.51 116.67 116.31 3g58 s ASP 525 Ca 0.28 -1.37 0.38 0.00 -0.52 0.00 0.00 52.55 51.32 3g58 s ASP 525 Cb 0.16 -2.15 1.86 0.00 -1.46 0.00 0.00 42.92 41.33 3g58 s ASP 525 CO 0.22 -0.64 2.17 0.07 0.52 0.00 0.00 175.17 177.52 3g58 h LYS 526 N 8.70 0.00 0.00 4.34 2.10 -1.90 -1.68 116.57 128.13 3g58 h LYS 526 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3g58 h LYS 526 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3g58 h LYS 526 CO 0.86 0.02 -0.29 0.72 -2.00 0.00 0.00 179.45 178.76 3g58 n HIS 527 N -3.16 0.44 -3.19 0.07 8.25 -1.26 -4.22 115.22 112.15 3g58 n HIS 527 Ca -0.01 0.13 -0.20 0.00 -0.26 0.00 0.00 57.72 57.37 3g58 n HIS 527 Cb 0.19 -0.63 -0.04 0.00 1.12 0.00 0.00 29.99 30.63 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 -1.91 0.68 -4.60 0.41 3.02 -0.64 -5.11 115.26 107.11 3g58 n ASN 528 Ca 0.05 -2.91 -0.28 0.00 -0.03 0.00 0.00 54.58 51.41 3g58 n ASN 528 Cb 0.40 -0.63 -0.09 0.00 -0.61 0.00 0.00 39.78 38.85 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 -2.01 3.03 -0.45 5.41 0.00 -1.16 -4.76 121.76 121.82 3g58 s ALA 529 Ca 0.38 -1.38 0.07 0.00 0.00 0.00 0.00 51.96 51.04 3g58 s ALA 529 Cb 0.29 -0.86 0.24 0.00 0.00 0.00 0.00 23.12 22.79 3g58 s ALA 529 CO -0.09 0.52 0.55 0.43 0.00 0.00 0.00 175.76 177.17 3g58 n SER 530 N 0.18 0.87 -0.12 0.00 7.64 -1.26 -5.02 113.62 115.90 3g58 n SER 530 Ca -0.11 -2.82 -0.05 0.00 1.01 0.00 0.00 58.87 56.90 3g58 n SER 530 Cb 0.54 -0.64 0.02 0.00 -1.01 0.00 0.00 64.21 63.12 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 2.47 0.55 -0.05 0.44 2.07 -1.99 0.68 116.25 120.42 3g58 h VAL 531 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3g58 h VAL 531 Cb 0.84 0.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3g58 h VAL 531 CO 0.53 0.00 -0.00 -0.33 0.02 0.00 0.00 177.57 177.79 3g58 h GLU 532 N -0.03 0.09 -0.84 1.57 3.07 -1.93 -1.35 114.58 115.16 3g58 h GLU 532 Ca 0.20 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.04 3g58 h GLU 532 Cb 0.33 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.19 3g58 h GLU 532 CO -0.44 0.38 0.55 0.87 -1.40 0.00 0.00 179.01 178.97 3g58 h LYS 533 N -0.20 1.09 -0.65 2.33 1.57 -1.74 -2.40 116.57 116.58 3g58 h LYS 533 Ca 0.01 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3g58 h LYS 533 Cb 0.33 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3g58 h LYS 533 CO 0.00 0.72 0.34 0.77 -0.57 0.00 0.00 179.45 180.72 3g58 h SER 534 N 1.13 0.81 -0.54 0.86 0.02 -0.61 0.35 113.55 115.57 3g58 h SER 534 Ca 0.31 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 61.12 3g58 h SER 534 Cb -0.11 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.20 3g58 h SER 534 CO -0.07 0.67 0.06 1.56 -1.14 0.00 0.00 176.83 177.91 3g58 h GLN 535 N 0.91 0.91 -0.73 3.45 1.08 -0.85 0.40 115.11 120.29 3g58 h GLN 535 Ca 0.23 -0.26 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3g58 h GLN 535 Cb 0.05 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 3g58 h GLN 535 CO -0.04 0.90 0.39 0.28 -0.95 0.00 0.00 178.83 179.41 3g58 h VAL 536 N 0.79 1.22 -0.20 -0.54 2.07 -0.94 -0.41 116.25 118.24 3g58 h VAL 536 Ca 0.16 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3g58 h VAL 536 Cb 0.45 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3g58 h VAL 536 CO 0.02 0.25 0.11 1.23 0.02 0.00 0.00 177.57 179.19 3g58 h GLY 537 N 1.01 0.31 0.01 2.17 0.00 -0.55 -0.71 103.07 105.30 3g58 h GLY 537 Ca 0.26 -0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.53 3g58 h GLY 537 CO -0.04 0.14 -0.17 -2.75 0.00 0.00 0.00 176.54 173.72 3g58 h PHE 538 N 0.21 -0.41 -0.07 5.60 3.57 0.17 0.15 116.94 126.17 3g58 h PHE 538 Ca 0.07 0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3g58 h PHE 538 Cb 0.09 0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 3g58 h PHE 538 CO -0.03 -0.25 0.02 0.82 -2.23 0.00 0.00 178.31 176.63 3g58 h ILE 539 N -0.08 1.18 -0.83 1.41 2.04 -0.95 -0.35 117.51 119.94 3g58 h ILE 539 Ca 0.21 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.48 3g58 h ILE 539 Cb 0.40 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 3g58 h ILE 539 CO -0.50 0.16 0.39 0.44 0.00 0.00 0.00 178.15 178.64 3g58 h ASP 540 N -0.09 1.11 0.00 1.72 3.32 -0.79 0.50 116.42 122.19 3g58 h ASP 540 Ca 0.02 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 56.80 3g58 h ASP 540 Cb 0.23 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3g58 h ASP 540 CO -0.00 0.94 -2.06 -1.22 -1.72 0.00 0.00 179.24 175.18 3g58 n TYR 541 N -4.30 0.00 0.05 4.55 4.02 0.01 -4.45 117.16 117.03 3g58 n TYR 541 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 3g58 n TYR 541 Cb 0.15 -0.63 0.00 0.00 -0.02 0.00 0.00 39.34 38.84 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 -2.39 1.18 -0.04 -0.72 5.41 -0.23 -4.76 119.36 117.82 3g58 n ILE 542 Ca -0.14 0.39 -0.14 0.00 1.00 0.00 0.00 62.75 63.86 3g58 n ILE 542 Cb 0.74 -1.57 -0.08 0.00 -0.71 0.00 0.00 39.64 38.03 3g58 n ILE 542 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3g58 h VAL 543 N 0.00 1.37 -0.29 1.39 2.07 -1.25 -2.75 116.25 116.79 3g58 h VAL 543 Ca 0.00 -1.60 -0.05 0.00 0.82 0.00 0.00 66.70 65.87 3g58 h VAL 543 Cb 0.03 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3g58 h VAL 543 CO 0.00 0.47 -0.02 -0.74 0.02 0.00 0.00 177.57 177.30 3g58 h HIS 544 N 0.02 0.58 -0.83 1.57 -0.00 -0.23 -0.83 115.15 115.43 3g58 h HIS 544 Ca -0.00 -0.11 0.03 0.00 -0.00 0.00 0.00 60.37 60.29 3g58 h HIS 544 Cb 0.92 -0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 28.13 3g58 h HIS 544 CO 0.11 0.69 0.53 -1.35 -0.00 0.00 0.00 177.93 177.91 3g58 h PRO 545 N 0.31 1.00 0.20 5.26 0.11 -1.74 0.25 132.00 137.39 3g58 h PRO 545 Ca 0.08 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 3g58 h PRO 545 Cb 0.47 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.36 3g58 h PRO 545 CO 0.02 0.66 -0.09 1.25 -0.21 0.00 0.00 178.00 179.63 3g58 h LEU 546 N 1.03 -0.22 -1.00 2.35 5.85 -1.40 -2.74 115.31 119.18 3g58 h LEU 546 Ca 0.34 -0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 3g58 h LEU 546 Cb 0.02 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3g58 h LEU 546 CO -0.12 -0.01 -0.50 -0.50 -0.34 0.00 0.00 178.44 176.97 3g58 h TRP 547 N -0.43 0.00 -0.93 1.25 4.06 -0.97 -1.17 115.95 117.76 3g58 h TRP 547 Ca -0.03 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.94 3g58 h TRP 547 Cb 0.33 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.45 3g58 h TRP 547 CO -0.01 0.50 0.61 1.49 -3.56 0.00 0.00 178.44 177.47 3g58 h GLU 548 N 0.00 1.20 -0.17 0.49 4.81 -0.51 0.23 114.58 120.63 3g58 h GLU 548 Ca -0.01 -0.07 -0.20 0.00 -0.13 0.00 0.00 59.36 58.95 3g58 h GLU 548 Cb 0.89 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 30.01 3g58 h GLU 548 CO 0.07 0.79 -0.68 1.15 -0.73 0.00 0.00 179.01 179.60 3g58 h THR 549 N 1.24 1.29 -0.74 0.32 2.02 -1.04 -2.20 112.91 113.80 3g58 h THR 549 Ca 0.35 -1.90 -0.00 0.00 0.77 0.00 0.00 66.41 65.63 3g58 h THR 549 Cb -0.11 1.96 -0.04 0.00 -1.74 0.00 0.00 68.15 68.23 3g58 h THR 549 CO -0.08 0.60 0.46 -0.25 0.37 0.00 0.00 175.52 176.61 3g58 h TRP 550 N 0.48 0.97 -0.76 3.16 2.91 -1.11 -1.69 115.95 119.90 3g58 h TRP 550 Ca -0.04 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.01 3g58 h TRP 550 Cb 1.31 -0.32 -0.04 0.00 -0.51 0.00 0.00 29.16 29.60 3g58 h TRP 550 CO 0.09 0.64 0.50 0.00 -1.03 0.00 0.00 178.44 178.64 3g58 h ALA 551 N 1.24 1.53 0.21 2.65 0.00 -0.79 -1.55 119.26 122.55 3g58 h ALA 551 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3g58 h ALA 551 Cb -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3g58 h ALA 551 CO -0.05 0.41 -0.10 -0.44 0.00 0.00 0.00 179.25 179.06 3g58 h ASP 552 N 0.95 -0.24 -0.67 0.00 5.19 -0.96 0.16 116.42 120.84 3g58 h ASP 552 Ca 0.30 -0.13 0.14 0.00 -0.62 0.00 0.00 57.03 56.71 3g58 h ASP 552 Cb 0.01 0.06 -0.10 0.00 0.18 0.00 0.00 39.33 39.48 3g58 h ASP 552 CO -0.08 -0.01 0.16 0.25 -3.12 0.00 0.00 179.24 176.44 3g58 h LEU 553 N -0.47 0.02 -3.37 1.55 5.85 -0.73 -2.67 115.31 115.49 3g58 h LEU 553 Ca -0.03 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.82 3g58 h LEU 553 Cb 0.36 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3g58 h LEU 553 CO 0.05 -0.00 0.00 1.33 -0.34 0.00 0.00 178.44 179.47 3g58 n VAL 554 N -5.13 2.44 -1.59 1.05 0.24 -0.64 -4.98 118.33 109.72 3g58 n VAL 554 Ca 0.12 -1.67 -0.51 0.00 -2.04 0.00 0.00 64.34 60.24 3g58 n VAL 554 Cb 0.39 -0.24 -0.05 0.00 -1.47 0.00 0.00 33.84 32.46 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 -0.01 1.51 -0.86 6.34 -0.00 0.56 -0.53 115.22 122.23 3g58 n HIS 555 Ca 0.24 0.62 0.07 0.00 -0.00 0.00 0.00 57.72 58.66 3g58 n HIS 555 Cb 1.01 -2.33 0.40 0.00 -0.00 0.00 0.00 29.99 29.06 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 2.40 4.71 -0.16 1.57 -0.04 -1.26 -5.00 135.00 137.22 3g58 n PRO 556 Ca 0.17 -3.13 0.17 0.00 -0.04 0.00 0.00 63.50 60.67 3g58 n PRO 556 Cb 0.21 -2.21 0.53 0.00 -0.04 0.00 0.00 33.50 31.99 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 4.03 0.35 -0.60 3.54 3.32 -1.09 -2.65 116.42 123.33 3g58 h ASP 557 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3g58 h ASP 557 Cb 1.90 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.40 3g58 h ASP 557 CO 0.45 0.18 0.00 0.00 -1.72 0.00 0.00 179.24 178.14 3g58 n ALA 558 N -2.54 2.70 -0.18 3.45 0.00 -1.26 -4.56 120.51 118.12 3g58 n ALA 558 Ca 0.15 -1.24 -0.07 0.00 0.00 0.00 0.00 53.44 52.28 3g58 n ALA 558 Cb 0.57 -0.99 0.02 0.00 0.00 0.00 0.00 19.45 19.05 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 3.64 0.72 -0.34 0.00 5.75 -1.84 -0.09 115.11 122.96 3g58 h GLN 559 Ca 0.00 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.35 3g58 h GLN 559 Cb 1.07 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.46 3g58 h GLN 559 CO 0.10 0.55 -0.09 -0.44 -2.65 0.00 0.00 178.83 176.30 3g58 h ASP 560 N 0.69 0.54 -0.09 -0.69 3.32 -1.85 -1.01 116.42 117.33 3g58 h ASP 560 Ca 0.18 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3g58 h ASP 560 Cb 0.03 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 3g58 h ASP 560 CO -0.03 0.68 0.02 0.40 -1.72 0.00 0.00 179.24 178.58 3g58 h ILE 561 N 0.53 1.21 -0.87 0.35 2.04 -1.69 -1.23 117.51 117.85 3g58 h ILE 561 Ca 0.10 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.35 3g58 h ILE 561 Cb 0.47 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.97 3g58 h ILE 561 CO 0.03 0.19 0.57 0.25 0.00 0.00 0.00 178.15 179.18 3g58 h LEU 562 N -0.08 0.91 -0.28 1.44 5.85 -0.85 -1.63 115.31 120.67 3g58 h LEU 562 Ca 0.03 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.57 3g58 h LEU 562 Cb 0.28 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3g58 h LEU 562 CO 0.00 0.62 -0.49 0.44 -0.34 0.00 0.00 178.44 178.67 3g58 h ASP 563 N 1.05 0.91 -0.84 1.25 3.32 -1.02 -1.96 116.42 119.14 3g58 h ASP 563 Ca 0.35 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3g58 h ASP 563 Cb 0.08 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 3g58 h ASP 563 CO -0.11 1.26 0.54 0.74 -1.72 0.00 0.00 179.24 179.95 3g58 h THR 564 N 0.59 1.22 -0.36 0.35 2.02 -1.01 -0.90 112.91 114.82 3g58 h THR 564 Ca 0.02 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 3g58 h THR 564 Cb 1.09 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3g58 h THR 564 CO 0.11 0.22 0.14 0.25 0.37 0.00 0.00 175.52 176.61 3g58 h LEU 565 N 1.15 0.50 -0.29 2.58 5.85 -1.06 0.04 115.31 124.08 3g58 h LEU 565 Ca 0.31 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3g58 h LEU 565 Cb -0.10 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 3g58 h LEU 565 CO -0.06 0.54 0.03 -0.33 -0.34 0.00 0.00 178.44 178.28 3g58 h GLU 566 N 0.43 0.49 -0.41 1.25 5.08 -1.18 -1.19 114.58 119.06 3g58 h GLU 566 Ca 0.12 -0.14 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 3g58 h GLU 566 Cb 0.20 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 3g58 h GLU 566 CO -0.01 0.61 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.13 3g58 h ASP 567 N 0.30 -0.26 -0.51 1.42 5.19 -1.01 -2.04 116.42 119.51 3g58 h ASP 567 Ca 0.09 0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.60 3g58 h ASP 567 Cb 0.37 0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.06 3g58 h ASP 567 CO 0.01 -0.09 0.31 0.78 -3.12 0.00 0.00 179.24 177.13 3g58 h ASN 568 N 0.06 0.62 -0.69 6.45 2.35 -0.81 -1.36 115.58 122.20 3g58 h ASN 568 Ca 0.20 -0.06 0.09 0.00 -0.55 0.00 0.00 56.30 55.98 3g58 h ASN 568 Cb 0.30 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 38.44 3g58 h ASN 568 CO -0.37 0.50 0.34 -0.09 -1.65 0.00 0.00 177.43 176.15 3g58 h ARG 569 N 0.69 0.57 -0.55 0.81 2.43 -0.94 -0.28 114.38 117.11 3g58 h ARG 569 Ca 0.18 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3g58 h ARG 569 Cb -0.01 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3g58 h ARG 569 CO -0.03 0.37 0.07 0.93 -1.51 0.00 0.00 179.97 179.80 3g58 h GLU 570 N 0.58 0.92 -0.27 0.20 4.39 -0.96 0.21 114.58 119.65 3g58 h GLU 570 Ca 0.33 -0.26 0.03 0.00 0.34 0.00 0.00 59.36 59.80 3g58 h GLU 570 Cb 0.34 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 3g58 h GLU 570 CO -0.26 0.90 0.09 2.35 -1.16 0.00 0.00 179.01 180.94 3g58 h TRP 571 N 0.81 0.17 -0.38 4.33 7.01 -0.74 -1.24 115.95 125.90 3g58 h TRP 571 Ca 0.16 0.01 -0.05 0.00 2.11 0.00 0.00 58.89 61.13 3g58 h TRP 571 Cb 0.44 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.45 3g58 h TRP 571 CO 0.03 0.08 0.06 1.88 -2.79 0.00 0.00 178.44 177.70 3g58 h TYR 572 N 0.22 0.68 -0.31 2.65 0.05 -0.58 -2.68 116.97 116.99 3g58 h TYR 572 Ca 0.12 -0.10 0.07 0.00 0.05 0.00 0.00 58.73 58.87 3g58 h TYR 572 Cb 0.09 -0.18 -0.08 0.00 1.01 0.00 0.00 36.73 37.56 3g58 h TYR 572 CO -0.13 0.68 -0.34 0.37 -1.05 0.00 0.00 178.16 177.69 3g58 h GLN 573 N 0.48 -0.30 0.00 4.88 5.75 -0.41 -1.78 115.11 123.71 3g58 h GLN 573 Ca 0.12 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.64 3g58 h GLN 573 Cb 0.37 0.07 0.00 0.00 1.07 0.00 0.00 27.48 28.99 3g58 h GLN 573 CO 0.01 -0.20 0.00 0.66 -2.65 0.00 0.00 178.83 176.65 3g58 h SER 574 N -0.32 0.00 0.60 -0.69 4.64 -1.15 -1.03 113.55 115.61 3g58 h SER 574 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3g58 h SER 574 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3g58 h SER 574 CO -0.48 0.00 -0.16 0.41 -0.87 0.00 0.00 176.83 175.73 3g58 n THR 575 N -2.68 0.00 -1.79 2.95 -1.04 -0.69 -4.85 114.28 106.19 3g58 n THR 575 Ca 0.00 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.05 61.56 3g58 n THR 575 Cb 0.19 -0.17 -0.03 0.00 -1.82 0.00 0.00 70.33 68.51 3g58 n THR 575 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3g58 s ILE 576 N -2.76 3.23 0.19 12.58 1.01 -0.39 -4.91 121.20 130.15 3g58 s ILE 576 Ca 0.20 0.26 -0.30 0.00 0.00 0.00 0.00 60.65 60.81 3g58 s ILE 576 Cb 0.19 -3.23 -0.09 0.00 0.01 0.00 0.00 42.46 39.34 3g58 s ILE 576 CO 0.54 -0.10 1.37 -2.16 0.00 0.00 0.00 174.94 174.60 3g58 s PRO 577 N 5.20 4.34 0.00 2.79 0.04 -1.26 -5.10 135.00 141.00 3g58 s PRO 577 Ca 0.87 2.14 0.00 0.00 0.04 0.00 0.00 61.00 64.05 3g58 s PRO 577 Cb -0.34 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.02 3g58 s PRO 577 CO 0.35 -0.35 0.00 1.04 0.04 0.00 0.00 177.00 178.08