#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3i n ASP 283 N 0.00 5.43 0.00 1.67 8.00 -1.26 -4.85 116.55 125.55 1j3i n ASP 283 Ca 0.00 -3.32 0.11 0.00 0.71 0.00 0.00 54.79 52.29 1j3i n ASP 283 Cb 0.00 -1.14 0.01 0.00 -0.02 0.00 0.00 41.12 39.97 1j3i n ASP 283 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1j3i n ASP 284 N 1.58 0.83 0.24 -2.24 5.75 -1.26 -4.23 116.55 117.22 1j3i n ASP 284 Ca 0.26 -0.74 0.09 0.00 -0.01 0.00 0.00 54.79 54.38 1j3i n ASP 284 Cb 0.36 0.74 0.60 0.00 -1.03 0.00 0.00 41.12 41.80 1j3i n ASP 284 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1j3i h GLU 285 N 0.00 0.00 -0.27 0.11 5.08 -2.03 -2.22 114.58 115.25 1j3i h GLU 285 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1j3i h GLU 285 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1j3i h GLU 285 CO 0.00 0.17 -0.29 0.93 -1.00 0.00 0.00 179.01 178.82 1j3i h GLU 286 N 0.00 0.55 -0.82 2.33 5.08 -2.00 -2.94 114.58 116.78 1j3i h GLU 286 Ca -0.00 -0.23 0.16 0.00 -1.00 0.00 0.00 59.36 58.29 1j3i h GLU 286 Cb 0.36 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 1j3i h GLU 286 CO 0.02 0.78 0.54 0.93 -1.00 0.00 0.00 179.01 180.29 1j3i h GLU 287 N 0.47 0.45 -0.00 2.33 5.08 -1.64 -0.16 114.58 121.11 1j3i h GLU 287 Ca 0.06 -0.03 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 1j3i h GLU 287 Cb 0.75 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1j3i h GLU 287 CO 0.06 0.30 -0.90 -0.44 -1.00 0.00 0.00 179.01 177.03 1j3i h ASP 288 N 0.47 0.38 -0.44 1.42 5.19 -1.61 -3.18 116.42 118.64 1j3i h ASP 288 Ca 0.41 -0.30 -0.08 0.00 -0.62 0.00 0.00 57.03 56.44 1j3i h ASP 288 Cb 0.90 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 1j3i h ASP 288 CO -0.15 1.10 0.01 0.44 -3.12 0.00 0.00 179.24 177.52 1j3i h ASP 289 N 0.17 0.81 -0.74 6.45 3.32 -1.05 -2.07 116.42 123.31 1j3i h ASP 289 Ca -0.06 -0.20 0.05 0.00 0.02 0.00 0.00 57.03 56.84 1j3i h ASP 289 Cb 1.53 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.81 1j3i h ASP 289 CO 0.15 0.87 0.44 0.15 -1.72 0.00 0.00 179.24 179.13 1j3i h PHE 290 N 0.79 0.82 -0.74 4.55 3.57 -1.33 -1.23 116.94 123.38 1j3i h PHE 290 Ca 0.15 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 1j3i h PHE 290 Cb 0.46 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 1j3i h PHE 290 CO 0.03 0.43 0.34 0.28 -2.23 0.00 0.00 178.31 177.16 1j3i h VAL 291 N 0.83 1.24 -0.32 1.41 2.07 -1.40 -2.89 116.25 117.19 1j3i h VAL 291 Ca 0.32 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1j3i h VAL 291 Cb 0.12 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1j3i h VAL 291 CO -0.15 0.29 0.18 1.88 0.02 0.00 0.00 177.57 179.79 1j3i h TYR 292 N 1.05 0.42 0.00 1.57 0.05 -0.60 -2.35 116.97 117.10 1j3i h TYR 292 Ca 0.25 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.02 1j3i h TYR 292 Cb 0.14 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 1j3i h TYR 292 CO 0.01 0.32 -0.02 0.74 -1.05 0.00 0.00 178.16 178.16 1j3i h PHE 293 N 0.40 0.00 -0.39 4.88 0.04 -1.13 -1.42 116.94 119.32 1j3i h PHE 293 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1j3i h PHE 293 Cb 0.03 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.18 1j3i h PHE 293 CO -0.04 0.02 0.00 0.09 -0.60 0.00 0.00 178.31 177.78 1j3i n ASN 294 N -3.36 4.16 0.19 2.17 3.02 -0.89 -4.42 115.26 116.13 1j3i n ASN 294 Ca -0.02 -2.62 0.05 0.00 -0.03 0.00 0.00 54.58 51.96 1j3i n ASN 294 Cb 0.13 -0.62 0.49 0.00 -0.61 0.00 0.00 39.78 39.16 1j3i n ASN 294 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1j3i h PHE 295 N 2.67 0.09 -0.02 3.10 -0.00 -1.27 -2.48 116.94 119.04 1j3i h PHE 295 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.96 1j3i h PHE 295 Cb 1.49 -0.03 0.00 0.00 -0.00 0.00 0.00 35.95 37.41 1j3i h PHE 295 CO 0.73 0.21 -0.21 -1.71 -0.00 0.00 0.00 178.31 177.33 1j3i n ASN 296 N -4.35 1.72 -4.59 -0.68 5.15 -1.26 -4.92 115.26 106.33 1j3i n ASN 296 Ca -0.02 -1.38 -0.35 0.00 -0.60 0.00 0.00 54.58 52.23 1j3i n ASN 296 Cb 0.22 0.17 0.10 0.00 -0.53 0.00 0.00 39.78 39.74 1j3i n ASN 296 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1j3i n LYS 297 N 0.04 0.33 -2.03 1.20 4.76 -0.94 -4.95 118.16 116.57 1j3i n LYS 297 Ca 0.13 0.17 -0.28 0.00 -2.87 0.00 0.00 58.31 55.46 1j3i n LYS 297 Cb 0.42 -2.18 0.07 0.00 -1.84 0.00 0.00 35.03 31.51 1j3i n LYS 297 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1j3i s GLU 298 N -3.44 2.31 0.00 1.97 2.02 -1.26 -5.12 118.70 115.17 1j3i s GLU 298 Ca 0.71 0.08 0.00 0.00 0.02 0.00 0.00 54.97 55.77 1j3i s GLU 298 Cb -0.32 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 31.85 1j3i s GLU 298 CO 0.53 -1.30 0.00 0.36 0.02 0.00 0.00 175.26 174.87 1j3i n LYS 299 N -3.08 0.50 0.00 1.61 2.85 -1.26 -5.01 118.16 113.77 1j3i n LYS 299 Ca 0.07 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.47 1j3i n LYS 299 Cb 0.60 0.00 0.48 0.00 -0.65 0.00 0.00 35.03 35.45 1j3i n LYS 299 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 1j3i n GLU 300 N -0.92 0.64 -0.79 -1.58 2.13 -1.26 -4.09 120.64 114.77 1j3i n GLU 300 Ca 0.00 -0.30 0.08 0.00 0.66 0.00 0.00 57.16 57.59 1j3i n GLU 300 Cb 0.00 -1.49 0.38 0.00 0.27 0.00 0.00 31.44 30.59 1j3i n GLU 300 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1j3i n GLU 301 N -0.91 4.44 -0.19 5.31 2.13 -1.26 -4.17 120.64 125.99 1j3i n GLU 301 Ca 0.12 -3.08 0.01 0.00 0.66 0.00 0.00 57.16 54.88 1j3i n GLU 301 Cb 0.32 -2.15 0.02 0.00 0.27 0.00 0.00 31.44 29.89 1j3i n GLU 301 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1j3i n LYS 302 N 0.49 0.61 -1.53 5.31 4.76 -1.26 -4.95 118.16 121.59 1j3i n LYS 302 Ca 0.26 -1.11 -0.29 0.00 -2.87 0.00 0.00 58.31 54.30 1j3i n LYS 302 Cb 1.11 -0.71 0.15 0.00 -1.84 0.00 0.00 35.03 33.74 1j3i n LYS 302 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1j3i s ASN 303 N -0.90 3.18 -0.21 4.39 3.04 -1.26 -5.00 114.94 118.18 1j3i s ASN 303 Ca 0.04 0.85 -0.12 0.00 0.04 0.00 0.00 52.86 53.67 1j3i s ASN 303 Cb 0.04 -1.32 -0.09 0.00 -1.54 0.00 0.00 41.25 38.33 1j3i s ASN 303 CO 0.00 -2.74 -0.29 0.29 -3.04 0.00 0.00 177.10 171.32 1j3i n LYS 304 N -3.87 0.47 -0.46 0.43 5.02 -1.07 -5.07 118.16 113.61 1j3i n LYS 304 Ca 0.08 0.21 -0.03 0.00 -2.02 0.00 0.00 58.31 56.55 1j3i n LYS 304 Cb 0.59 -1.30 0.02 0.00 -0.02 0.00 0.00 35.03 34.32 1j3i n LYS 304 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1j3i n ASN 305 N -4.05 0.07 -4.36 4.39 3.02 -1.26 -5.00 115.26 108.07 1j3i n ASN 305 Ca -0.40 -1.08 -0.46 0.00 -0.03 0.00 0.00 54.58 52.61 1j3i n ASN 305 Cb 0.76 -0.09 -0.01 0.00 -0.61 0.00 0.00 39.78 39.83 1j3i n ASN 305 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1j3i s SER 306 N -1.47 7.01 -0.18 6.41 1.04 -1.26 -5.01 113.70 120.24 1j3i s SER 306 Ca 0.07 -3.03 -0.06 0.00 0.48 0.00 0.00 55.95 53.42 1j3i s SER 306 Cb -0.00 -2.25 -0.03 0.00 0.10 0.00 0.00 66.02 63.84 1j3i s SER 306 CO 0.05 -0.52 0.02 -0.63 0.98 0.00 0.00 173.24 173.14 1j3i s ILE 307 N -0.04 4.38 -0.07 -1.02 1.09 -1.26 -5.09 121.20 119.19 1j3i s ILE 307 Ca 0.27 -0.18 -0.17 0.00 -1.10 0.00 0.00 60.65 59.47 1j3i s ILE 307 Cb -0.09 -2.96 -0.05 0.00 -1.06 0.00 0.00 42.46 38.30 1j3i s ILE 307 CO -0.08 0.47 0.46 -1.00 -0.10 0.00 0.00 174.94 174.69 1j3i s HIS 308 N 0.45 3.60 0.15 3.97 3.76 -1.26 -5.01 115.29 120.96 1j3i s HIS 308 Ca 0.00 0.95 -0.30 0.00 -0.15 0.00 0.00 55.06 55.56 1j3i s HIS 308 Cb -0.13 -2.47 -0.05 0.00 1.11 0.00 0.00 32.58 31.04 1j3i s HIS 308 CO 0.02 0.35 1.55 -1.35 -0.85 0.00 0.00 174.74 174.45 1j3i h PRO 309 N 5.93 -0.20 0.00 8.40 0.11 -2.01 0.28 132.00 144.51 1j3i h PRO 309 Ca -0.45 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1j3i h PRO 309 Cb 1.19 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1j3i h PRO 309 CO 0.70 -0.14 0.11 0.09 -0.21 0.00 0.00 178.00 178.56 1j3i n ASN 310 N -5.34 0.35 -0.34 -2.05 3.02 -1.26 -2.78 115.26 106.86 1j3i n ASN 310 Ca -0.00 0.61 0.16 0.00 -0.03 0.00 0.00 54.58 55.32 1j3i n ASN 310 Cb 0.32 -0.63 0.37 0.00 -0.61 0.00 0.00 39.78 39.23 1j3i n ASN 310 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1j3i h ASP 311 N 0.00 0.70 -0.95 6.41 3.32 -1.33 -2.97 116.42 121.60 1j3i h ASP 311 Ca 0.00 0.11 -0.45 0.00 0.02 0.00 0.00 57.03 56.71 1j3i h ASP 311 Cb 0.23 -0.01 -0.41 0.00 0.22 0.00 0.00 39.33 39.35 1j3i h ASP 311 CO 0.00 0.20 -0.95 0.49 -1.72 0.00 0.00 179.24 177.26 1j3i n PHE 312 N -4.78 2.23 -0.10 4.55 3.72 -1.12 -4.87 117.46 117.09 1j3i n PHE 312 Ca 0.24 -2.58 -0.09 0.00 -0.05 0.00 0.00 57.45 54.97 1j3i n PHE 312 Cb 0.66 -0.25 -0.02 0.00 -0.94 0.00 0.00 39.48 38.93 1j3i n PHE 312 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1j3i h GLN 313 N 2.58 0.48 0.31 -1.08 3.07 -1.66 0.16 115.11 118.96 1j3i h GLN 313 Ca 0.13 -0.07 -0.02 0.00 0.09 0.00 0.00 58.65 58.78 1j3i h GLN 313 Cb 1.23 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.71 1j3i h GLN 313 CO 0.59 0.45 -0.15 0.82 0.09 0.00 0.00 178.83 180.63 1j3i h ILE 314 N 0.39 0.71 -0.60 1.86 2.04 -1.89 -0.21 117.51 119.81 1j3i h ILE 314 Ca 0.11 -0.37 0.12 0.00 1.00 0.00 0.00 64.86 65.72 1j3i h ILE 314 Cb 0.14 0.91 -0.10 0.00 -0.74 0.00 0.00 36.82 37.03 1j3i h ILE 314 CO -0.01 0.08 -0.00 0.22 0.00 0.00 0.00 178.15 178.43 1j3i h TYR 315 N -0.63 -0.05 0.00 1.37 3.20 -1.69 0.01 116.97 119.19 1j3i h TYR 315 Ca -0.04 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1j3i h TYR 315 Cb 0.45 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1j3i h TYR 315 CO -0.00 -0.16 0.00 0.09 -1.64 0.00 0.00 178.16 176.45 1j3i n ASN 316 N -5.28 0.00 0.12 -2.11 3.02 0.53 -3.27 115.26 108.27 1j3i n ASN 316 Ca 0.08 -0.02 0.05 0.00 -0.03 0.00 0.00 54.58 54.66 1j3i n ASN 316 Cb 0.34 -0.32 0.02 0.00 -0.61 0.00 0.00 39.78 39.21 1j3i n ASN 316 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1j3i h SER 317 N 0.00 0.00 -3.79 6.41 4.64 0.90 -3.46 113.55 118.25 1j3i h SER 317 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1j3i h SER 317 Cb 0.29 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.46 1j3i h SER 317 CO 0.00 0.33 0.70 -0.76 -0.87 0.00 0.00 176.83 176.23 1j3i s LEU 318 N -6.01 4.39 -0.15 5.97 1.43 -1.15 -4.94 118.68 118.22 1j3i s LEU 318 Ca 0.02 2.78 -0.14 0.00 -1.03 0.00 0.00 54.13 55.76 1j3i s LEU 318 Cb 0.08 -3.65 -0.11 0.00 0.03 0.00 0.00 46.19 42.54 1j3i s LEU 318 CO 0.76 -0.66 0.17 0.50 0.23 0.00 0.00 176.35 177.35 1j3i h LYS 319 N 3.63 0.00 -5.03 1.70 1.63 -1.92 -3.45 116.57 113.12 1j3i h LYS 319 Ca -0.49 0.00 -0.67 0.00 -0.85 0.00 0.00 60.65 58.65 1j3i h LYS 319 Cb 1.23 0.00 -0.32 0.00 -0.60 0.00 0.00 32.23 32.53 1j3i h LYS 319 CO 0.68 0.45 -0.81 0.71 -3.45 0.00 0.00 179.45 177.03 1j3i s TYR 320 N -2.08 2.85 -0.74 1.91 2.02 -1.26 -5.03 117.35 115.02 1j3i s TYR 320 Ca -0.15 -1.39 0.03 0.00 -0.37 0.00 0.00 57.07 55.19 1j3i s TYR 320 Cb 0.01 -1.99 0.28 0.00 -0.40 0.00 0.00 41.96 39.87 1j3i s TYR 320 CO 0.35 -0.71 1.00 1.63 -1.57 0.00 0.00 175.55 176.24 1j3i n LYS 321 N 4.68 3.23 0.01 -0.62 5.02 -1.26 -4.87 118.16 124.36 1j3i n LYS 321 Ca -0.20 -4.69 0.12 0.00 -2.02 0.00 0.00 58.31 51.52 1j3i n LYS 321 Cb 0.50 -2.32 0.33 0.00 -0.02 0.00 0.00 35.03 33.52 1j3i n LYS 321 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1j3i n TYR 322 N 0.67 0.08 -1.73 2.13 4.01 -1.26 -4.79 117.16 116.27 1j3i n TYR 322 Ca 0.30 0.02 -0.42 0.00 -0.16 0.00 0.00 57.90 57.64 1j3i n TYR 322 Cb 0.38 -0.36 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 1j3i n TYR 322 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1j3i n HIS 323 N -1.58 2.71 0.17 -0.72 -0.00 -1.26 -4.84 115.22 109.70 1j3i n HIS 323 Ca 0.06 0.25 0.19 0.00 0.46 0.00 0.00 57.72 58.67 1j3i n HIS 323 Cb 0.35 -2.59 0.79 0.00 -0.12 0.00 0.00 29.99 28.43 1j3i n HIS 323 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1j3i h PRO 324 N 5.08 0.00 0.00 1.57 0.11 -1.97 -0.86 132.00 135.92 1j3i h PRO 324 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1j3i h PRO 324 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1j3i h PRO 324 CO 0.82 0.00 -0.01 1.49 -0.21 0.00 0.00 178.00 180.09 1j3i h GLU 325 N 0.00 0.00 0.00 1.05 4.81 -1.96 -0.61 114.58 117.87 1j3i h GLU 325 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1j3i h GLU 325 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 1j3i h GLU 325 CO -0.00 0.01 0.00 0.66 -0.73 0.00 0.00 179.01 178.95 1j3i n TYR 326 N -3.54 0.39 0.01 0.92 4.01 -0.33 -1.79 117.16 116.82 1j3i n TYR 326 Ca -0.03 0.16 -0.07 0.00 -0.16 0.00 0.00 57.90 57.81 1j3i n TYR 326 Cb 0.10 -0.76 0.12 0.00 -0.31 0.00 0.00 39.34 38.48 1j3i n TYR 326 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1j3i h GLN 327 N 0.00 0.51 0.07 -0.72 4.20 -1.31 0.22 115.11 118.08 1j3i h GLN 327 Ca 0.00 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 1j3i h GLN 327 Cb 0.23 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1j3i h GLN 327 CO 0.00 0.84 -0.03 -0.92 -0.67 0.00 0.00 178.83 178.05 1j3i h TYR 328 N 0.42 -0.08 -0.83 2.96 3.20 -1.53 -3.12 116.97 117.98 1j3i h TYR 328 Ca 0.03 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.01 1j3i h TYR 328 Cb 0.91 0.03 -0.08 0.00 1.54 0.00 0.00 36.73 39.13 1j3i h TYR 328 CO 0.03 0.36 0.46 -0.07 -1.64 0.00 0.00 178.16 177.30 1j3i h LEU 329 N -0.97 0.65 -1.58 2.82 3.38 -1.44 -0.24 115.31 117.94 1j3i h LEU 329 Ca -0.01 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1j3i h LEU 329 Cb 0.48 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1j3i h LEU 329 CO 0.01 0.35 -0.10 0.78 0.09 0.00 0.00 178.44 179.57 1j3i h ASN 330 N 0.76 0.13 -0.21 -0.43 2.35 -0.68 -0.78 115.58 116.72 1j3i h ASN 330 Ca 0.41 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 56.00 1j3i h ASN 330 Cb 0.42 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.76 1j3i h ASN 330 CO -0.27 0.26 -0.41 0.40 -1.65 0.00 0.00 177.43 175.76 1j3i h ILE 331 N 0.14 1.32 0.07 2.81 2.04 -1.00 -0.12 117.51 122.78 1j3i h ILE 331 Ca 0.03 -1.63 0.02 0.00 1.00 0.00 0.00 64.86 64.28 1j3i h ILE 331 Cb 0.28 1.84 -0.04 0.00 -0.74 0.00 0.00 36.82 38.16 1j3i h ILE 331 CO 0.02 0.51 -0.24 0.40 0.00 0.00 0.00 178.15 178.83 1j3i h ILE 332 N 0.34 0.46 -0.61 -0.67 1.08 -0.88 -0.23 117.51 116.99 1j3i h ILE 332 Ca 0.01 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.56 1j3i h ILE 332 Cb 1.01 0.46 -0.06 0.00 -3.07 0.00 0.00 36.82 35.16 1j3i h ILE 332 CO 0.09 0.00 0.27 0.22 -0.69 0.00 0.00 178.15 178.05 1j3i h TYR 333 N -0.42 0.49 -0.36 1.37 3.20 -1.11 -0.09 116.97 120.05 1j3i h TYR 333 Ca 0.04 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 1j3i h TYR 333 Cb 0.46 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1j3i h TYR 333 CO -0.24 0.17 0.01 0.22 -1.64 0.00 0.00 178.16 176.68 1j3i h ASP 334 N 0.49 0.53 -0.21 -2.11 3.58 -0.07 -1.29 116.42 117.34 1j3i h ASP 334 Ca 0.30 -0.10 -0.18 0.00 0.42 0.00 0.00 57.03 57.47 1j3i h ASP 334 Cb 0.31 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.22 1j3i h ASP 334 CO -0.25 0.60 -0.56 0.40 -2.88 0.00 0.00 179.24 176.55 1j3i h ILE 335 N 0.54 1.30 -0.69 2.25 2.04 0.00 0.32 117.51 123.27 1j3i h ILE 335 Ca 0.12 -1.77 -0.05 0.00 1.00 0.00 0.00 64.86 64.16 1j3i h ILE 335 Cb 0.34 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1j3i h ILE 335 CO 0.01 0.56 0.25 0.24 0.00 0.00 0.00 178.15 179.21 1j3i h MET 336 N 0.48 1.05 0.25 2.37 2.86 -0.79 0.83 114.93 121.99 1j3i h MET 336 Ca -0.01 -0.21 -0.34 0.00 -2.06 0.00 0.00 59.70 57.09 1j3i h MET 336 Cb 1.17 -0.16 0.04 0.00 0.06 0.00 0.00 31.60 32.71 1j3i h MET 336 CO 0.12 0.89 -1.50 0.52 1.06 0.00 0.00 176.91 178.00 1j3i h MET 337 N 1.00 0.53 -0.01 1.72 2.86 -1.26 -3.40 114.93 116.36 1j3i h MET 337 Ca 0.23 -0.90 0.00 0.00 -2.06 0.00 0.00 59.70 56.96 1j3i h MET 337 Cb 0.25 0.34 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1j3i h MET 337 CO -0.01 1.43 0.00 0.09 1.06 0.00 0.00 176.91 179.48 1j3i n ASN 338 N -3.72 1.45 -4.45 1.22 3.02 0.10 -2.60 115.26 110.27 1j3i n ASN 338 Ca -0.18 -1.40 -0.30 0.00 -0.03 0.00 0.00 54.58 52.67 1j3i n ASN 338 Cb 1.10 -0.01 0.20 0.00 -0.61 0.00 0.00 39.78 40.47 1j3i n ASN 338 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j3i n GLY 339 N -0.12 -1.83 3.66 7.41 0.00 0.29 -4.86 105.19 109.74 1j3i n GLY 339 Ca 0.01 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.73 1j3i n GLY 339 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j3i s ASN 340 N -2.26 5.53 -0.08 1.61 0.01 0.24 -4.73 114.94 115.26 1j3i s ASN 340 Ca 0.64 0.12 -0.30 0.00 -0.71 0.00 0.00 52.86 52.61 1j3i s ASN 340 Cb -0.21 -1.84 -0.02 0.00 0.41 0.00 0.00 41.25 39.59 1j3i s ASN 340 CO 0.64 0.25 1.10 -0.54 -1.51 0.00 0.00 177.10 177.05 1j3i s LYS 341 N -0.11 4.39 0.03 -0.60 1.02 -1.26 -1.26 119.74 121.95 1j3i s LYS 341 Ca 0.06 1.53 -0.13 0.00 0.02 0.00 0.00 55.97 57.46 1j3i s LYS 341 Cb -0.12 -3.54 0.02 0.00 -0.52 0.00 0.00 37.83 33.66 1j3i s LYS 341 CO 0.01 -0.37 0.28 -0.65 -0.92 0.00 0.00 175.35 173.71 1j3i s GLN 342 N 2.06 0.76 0.62 1.68 -0.21 -0.55 -5.00 119.66 119.02 1j3i s GLN 342 Ca 0.52 -0.47 0.00 0.00 0.02 0.00 0.00 55.36 55.44 1j3i s GLN 342 Cb -0.22 0.33 0.07 0.00 1.00 0.00 0.00 33.01 34.19 1j3i s GLN 342 CO 0.20 -0.23 0.87 -1.54 -2.12 0.00 0.00 175.29 172.47 1j3i s SER 343 N -1.92 4.92 0.31 5.90 1.04 -1.26 -0.58 113.70 122.10 1j3i s SER 343 Ca -0.07 -0.11 -0.14 0.00 0.48 0.00 0.00 55.95 56.11 1j3i s SER 343 Cb -0.02 -0.57 0.02 0.00 0.10 0.00 0.00 66.02 65.55 1j3i s SER 343 CO -0.02 -1.43 0.63 1.51 0.98 0.00 0.00 173.24 174.91 1j3i s ASP 344 N -4.54 0.07 0.59 7.02 -4.77 -1.26 -4.79 116.67 108.99 1j3i s ASP 344 Ca 0.61 -1.01 0.30 0.00 -3.30 0.00 0.00 52.55 49.14 1j3i s ASP 344 Cb -0.09 0.71 1.30 0.00 -1.09 0.00 0.00 42.92 43.75 1j3i s ASP 344 CO 0.41 -1.38 1.66 -0.09 0.70 0.00 0.00 175.17 176.47 1j3i h ARG 345 N 2.09 0.00 0.00 2.11 2.43 -2.02 0.28 114.38 119.27 1j3i h ARG 345 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1j3i h ARG 345 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1j3i h ARG 345 CO 0.34 0.00 -0.68 1.79 -1.51 0.00 0.00 179.97 179.91 1j3i h THR 346 N 0.00 0.00 0.00 0.20 1.35 -2.00 -3.48 112.91 108.98 1j3i h THR 346 Ca 0.37 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 1j3i h THR 346 Cb 2.00 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.98 1j3i h THR 346 CO -0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1j3i n GLY 347 N 1.19 1.49 0.09 5.82 0.00 0.98 -4.89 105.19 109.87 1j3i n GLY 347 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1j3i n GLY 347 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1j3i h VAL 348 N 0.00 1.58 0.00 1.61 2.07 -1.93 -3.46 116.25 116.12 1j3i h VAL 348 Ca 0.00 -3.06 0.00 0.00 0.82 0.00 0.00 66.70 64.46 1j3i h VAL 348 Cb 0.00 2.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1j3i h VAL 348 CO 0.00 0.88 0.00 0.61 0.02 0.00 0.00 177.57 179.08 1j3i n GLY 349 N 1.24 0.47 3.55 2.17 0.00 -1.26 -4.58 105.19 106.77 1j3i n GLY 349 Ca -0.04 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 1j3i n GLY 349 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j3i s VAL 350 N -2.70 0.00 -0.10 1.61 -7.23 0.25 -2.22 120.40 110.01 1j3i s VAL 350 Ca 0.00 -1.47 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1j3i s VAL 350 Cb 0.00 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 1j3i s VAL 350 CO 0.00 0.00 -0.17 -0.76 -0.31 0.00 0.00 175.10 173.86 1j3i s LEU 351 N -3.07 2.49 0.10 1.32 1.43 -0.54 -1.49 118.68 118.93 1j3i s LEU 351 Ca 0.25 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 52.91 1j3i s LEU 351 Cb -0.00 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.67 1j3i s LEU 351 CO 0.11 0.21 0.14 -0.94 0.23 0.00 0.00 176.35 176.10 1j3i s SER 352 N 0.08 0.22 0.20 2.29 1.04 -0.39 -1.08 113.70 116.06 1j3i s SER 352 Ca -0.08 -0.87 -0.05 0.00 0.48 0.00 0.00 55.95 55.43 1j3i s SER 352 Cb -0.15 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 1j3i s SER 352 CO 0.05 -0.74 0.23 -0.54 0.98 0.00 0.00 173.24 173.23 1j3i s LYS 353 N -3.93 1.24 -0.12 4.02 -0.14 -0.28 -0.59 119.74 119.94 1j3i s LYS 353 Ca 0.11 -1.43 -0.01 0.00 -1.36 0.00 0.00 55.97 53.28 1j3i s LYS 353 Cb 0.06 0.33 0.04 0.00 -1.68 0.00 0.00 37.83 36.58 1j3i s LYS 353 CO -0.06 -0.44 -0.03 0.12 -0.76 0.00 0.00 175.35 174.18 1j3i s PHE 354 N -4.08 1.20 0.00 3.18 5.36 -1.26 -1.42 117.98 120.96 1j3i s PHE 354 Ca 0.29 -0.65 0.00 0.00 -0.96 0.00 0.00 56.93 55.61 1j3i s PHE 354 Cb 0.05 -1.08 0.00 0.00 -0.34 0.00 0.00 43.02 41.65 1j3i s PHE 354 CO 0.08 -0.49 0.00 0.41 -1.46 0.00 0.00 175.22 173.76 1j3i n GLY 355 N 5.01 -1.23 3.21 13.12 0.00 -0.33 -5.03 105.19 119.94 1j3i n GLY 355 Ca -0.10 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 1j3i n GLY 355 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j3i s TYR 356 N 0.00 1.06 -0.07 1.61 2.02 -0.47 -4.98 117.35 116.52 1j3i s TYR 356 Ca 0.00 -0.92 -0.03 0.00 -0.37 0.00 0.00 57.07 55.75 1j3i s TYR 356 Cb 0.00 -0.59 0.04 0.00 -0.40 0.00 0.00 41.96 41.00 1j3i s TYR 356 CO 0.00 -0.13 0.15 -1.50 -1.57 0.00 0.00 175.55 172.50 1j3i s ILE 357 N -3.59 -0.04 0.11 2.71 2.07 -1.26 -0.35 121.20 120.85 1j3i s ILE 357 Ca 0.17 0.16 0.10 0.00 -1.41 0.00 0.00 60.65 59.66 1j3i s ILE 357 Cb 0.05 -0.24 -0.04 0.00 0.13 0.00 0.00 42.46 42.36 1j3i s ILE 357 CO -0.01 0.06 -0.25 -0.04 -1.91 0.00 0.00 174.94 172.79 1j3i s MET 358 N 1.05 1.39 -0.05 3.50 -1.94 0.15 -4.98 119.30 118.43 1j3i s MET 358 Ca -0.08 -1.27 0.00 0.00 -1.71 0.00 0.00 55.69 52.63 1j3i s MET 358 Cb -0.10 -1.79 0.02 0.00 2.01 0.00 0.00 34.83 34.97 1j3i s MET 358 CO -0.05 0.43 -0.02 0.15 -0.01 0.00 0.00 175.02 175.51 1j3i s LYS 359 N -1.90 0.69 -0.09 2.03 1.02 -1.26 -0.32 119.74 119.91 1j3i s LYS 359 Ca 0.12 -0.01 0.04 0.00 0.02 0.00 0.00 55.97 56.14 1j3i s LYS 359 Cb -0.10 -0.85 -0.00 0.00 -0.52 0.00 0.00 37.83 36.35 1j3i s LYS 359 CO 0.05 -0.17 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.01 1j3i s PHE 360 N 1.32 2.53 -0.83 3.18 0.08 -0.49 -4.99 117.98 118.78 1j3i s PHE 360 Ca -0.05 -0.99 -0.21 0.00 0.12 0.00 0.00 56.93 55.80 1j3i s PHE 360 Cb -0.13 -1.69 0.09 0.00 -0.57 0.00 0.00 43.02 40.72 1j3i s PHE 360 CO -0.02 -0.39 1.13 0.34 -0.10 0.00 0.00 175.22 176.18 1j3i s ASP 361 N 0.26 6.41 0.47 1.36 -1.08 -1.26 -1.37 116.67 121.46 1j3i s ASP 361 Ca -0.16 -1.46 0.32 0.00 -0.52 0.00 0.00 52.55 50.72 1j3i s ASP 361 Cb -0.17 -2.44 1.62 0.00 -1.46 0.00 0.00 42.92 40.46 1j3i s ASP 361 CO 0.08 -1.32 1.97 -0.07 0.52 0.00 0.00 175.17 176.35 1j3i h LEU 362 N 11.30 0.00 -0.66 -1.34 3.38 -0.33 -1.17 115.31 126.49 1j3i h LEU 362 Ca -0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1j3i h LEU 362 Cb 1.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1j3i h LEU 362 CO 1.20 0.00 -0.23 0.77 0.09 0.00 0.00 178.44 180.27 1j3i h SER 363 N 0.00 0.00 0.00 -0.43 4.64 -1.65 -3.31 113.55 112.80 1j3i h SER 363 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1j3i h SER 363 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1j3i h SER 363 CO 0.00 0.23 -1.90 0.00 -0.87 0.00 0.00 176.83 174.29 1j3i n GLN 364 N -3.26 0.61 -3.62 4.77 1.13 -0.46 -5.06 117.38 111.48 1j3i n GLN 364 Ca 0.01 -0.18 -0.00 0.00 -1.94 0.00 0.00 57.00 54.89 1j3i n GLN 364 Cb 0.51 -1.51 -0.01 0.00 0.11 0.00 0.00 30.24 29.35 1j3i n GLN 364 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1j3i s TYR 365 N -3.44 -0.07 -0.33 1.08 -0.85 -1.09 -5.07 117.35 107.58 1j3i s TYR 365 Ca -0.07 -0.02 -0.09 0.00 -0.52 0.00 0.00 57.07 56.37 1j3i s TYR 365 Cb 0.14 0.54 0.01 0.00 0.38 0.00 0.00 41.96 43.03 1j3i s TYR 365 CO 0.89 -0.29 0.14 0.12 -1.52 0.00 0.00 175.55 174.89 1j3i s PHE 366 N -2.48 3.19 -0.65 -3.49 5.36 -0.68 -4.13 117.98 115.10 1j3i s PHE 366 Ca 0.13 -0.90 -0.05 0.00 -0.96 0.00 0.00 56.93 55.15 1j3i s PHE 366 Cb 0.03 -2.34 -0.04 0.00 -0.34 0.00 0.00 43.02 40.33 1j3i s PHE 366 CO -0.04 -0.58 1.79 -0.35 -1.46 0.00 0.00 175.22 174.59 1j3i n PRO 367 N 4.93 1.48 -3.09 10.12 -0.04 -1.26 -4.03 135.00 143.11 1j3i n PRO 367 Ca -0.13 -1.20 -0.43 0.00 -0.04 0.00 0.00 63.50 61.70 1j3i n PRO 367 Cb 0.47 -2.34 -0.07 0.00 -0.04 0.00 0.00 33.50 31.53 1j3i n PRO 367 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1j3i s LEU 368 N 0.09 4.43 0.14 1.53 2.96 -1.26 -4.63 118.68 121.93 1j3i s LEU 368 Ca 0.29 -0.23 -0.33 0.00 -0.22 0.00 0.00 54.13 53.65 1j3i s LEU 368 Cb 0.07 -2.77 -0.17 0.00 0.50 0.00 0.00 46.19 43.82 1j3i s LEU 368 CO -0.02 -0.76 0.87 0.18 -1.32 0.00 0.00 176.35 175.30 1j3i n LEU 369 N 6.28 -0.05 -0.00 -0.68 4.77 -1.26 -4.79 117.00 121.26 1j3i n LEU 369 Ca -0.01 1.14 0.06 0.00 -0.03 0.00 0.00 56.01 57.17 1j3i n LEU 369 Cb 0.48 -1.02 -0.07 0.00 -2.33 0.00 0.00 43.42 40.48 1j3i n LEU 369 CO 0.53 -2.17 -0.07 0.35 -1.33 0.00 0.00 177.39 174.70 1j3i n THR 370 N 0.83 0.00 1.95 -5.08 -2.24 -1.26 -4.50 114.28 103.98 1j3i n THR 370 Ca 0.17 -0.21 0.01 0.00 -2.27 0.00 0.00 64.05 61.75 1j3i n THR 370 Cb 0.20 0.95 0.04 0.00 -2.10 0.00 0.00 70.33 69.42 1j3i n THR 370 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j3i n THR 371 N -1.34 0.00 -3.55 4.28 -2.24 -1.26 -0.90 114.28 109.27 1j3i n THR 371 Ca 0.02 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.71 1j3i n THR 371 Cb 0.20 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.36 1j3i n THR 371 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1j3i s LYS 372 N -2.00 0.66 0.14 -0.78 -2.85 -1.26 -4.69 119.74 108.96 1j3i s LYS 372 Ca 0.02 -0.07 -0.29 0.00 -1.00 0.00 0.00 55.97 54.63 1j3i s LYS 372 Cb 0.01 0.31 -0.07 0.00 -2.06 0.00 0.00 37.83 36.02 1j3i s LYS 372 CO 0.02 -0.25 0.92 0.21 0.10 0.00 0.00 175.35 176.35 1j3i s LYS 373 N -2.09 4.71 -0.01 1.78 2.20 -1.21 -4.62 119.74 120.51 1j3i s LYS 373 Ca 0.02 1.40 0.02 0.00 -0.36 0.00 0.00 55.97 57.06 1j3i s LYS 373 Cb -0.01 -3.34 -0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1j3i s LYS 373 CO -0.03 0.32 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.70 1j3i s LEU 374 N -0.39 1.97 0.01 5.43 1.43 -1.26 -4.77 118.68 121.10 1j3i s LEU 374 Ca 0.44 -0.13 0.04 0.00 -1.03 0.00 0.00 54.13 53.45 1j3i s LEU 374 Cb -0.24 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.57 1j3i s LEU 374 CO 0.29 0.08 -0.10 -0.36 0.23 0.00 0.00 176.35 176.49 1j3i s PHE 375 N -0.11 2.79 -1.46 0.29 0.40 -1.26 -5.05 117.98 113.58 1j3i s PHE 375 Ca 0.02 -0.11 0.12 0.00 -0.60 0.00 0.00 56.93 56.37 1j3i s PHE 375 Cb -0.03 -1.57 0.08 0.00 0.51 0.00 0.00 43.02 42.00 1j3i s PHE 375 CO -0.00 0.33 0.85 1.28 0.70 0.00 0.00 175.22 178.38 1j3i n LEU 376 N 1.60 1.89 -0.03 -0.37 4.77 -1.26 -4.69 117.00 118.91 1j3i n LEU 376 Ca -0.16 -0.95 -0.08 0.00 -0.03 0.00 0.00 56.01 54.79 1j3i n LEU 376 Cb 0.52 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.59 1j3i n LEU 376 CO 0.29 0.35 0.77 -0.09 -1.33 0.00 0.00 177.39 177.39 1j3i h ARG 377 N 2.21 -0.13 0.27 3.23 2.43 -1.99 -1.75 114.38 118.64 1j3i h ARG 377 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1j3i h ARG 377 Cb 0.50 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1j3i h ARG 377 CO 0.00 -0.09 -0.17 0.78 -1.51 0.00 0.00 179.97 178.99 1j3i h GLY 378 N -0.14 -0.43 2.00 2.80 0.00 -1.96 -1.13 103.07 104.22 1j3i h GLY 378 Ca 0.11 0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 1j3i h GLY 378 CO -0.27 -0.17 -0.11 0.16 0.00 0.00 0.00 176.54 176.15 1j3i h ILE 379 N -0.42 0.67 -0.02 2.60 3.07 -1.83 0.12 117.51 121.69 1j3i h ILE 379 Ca -0.03 -0.45 -0.05 0.00 1.55 0.00 0.00 64.86 65.88 1j3i h ILE 379 Cb 0.35 1.28 0.00 0.00 -0.27 0.00 0.00 36.82 38.18 1j3i h ILE 379 CO 0.03 0.11 -0.19 0.40 -1.05 0.00 0.00 178.15 177.45 1j3i h ILE 380 N 0.00 1.50 -1.01 0.16 2.04 -1.07 -1.73 117.51 117.40 1j3i h ILE 380 Ca -0.00 -1.75 0.06 0.00 1.00 0.00 0.00 64.86 64.17 1j3i h ILE 380 Cb 0.27 2.57 -0.07 0.00 -0.74 0.00 0.00 36.82 38.85 1j3i h ILE 380 CO 0.01 0.48 0.65 -0.33 0.00 0.00 0.00 178.15 178.97 1j3i h GLU 381 N -0.45 1.16 -0.43 2.37 4.39 -0.57 -0.11 114.58 120.95 1j3i h GLU 381 Ca -0.02 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.63 1j3i h GLU 381 Cb 0.88 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 1j3i h GLU 381 CO 0.04 0.76 0.26 1.49 -1.16 0.00 0.00 179.01 180.40 1j3i h GLU 382 N 1.19 0.51 -0.94 2.33 4.81 -0.70 0.18 114.58 121.96 1j3i h GLU 382 Ca 0.43 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.62 1j3i h GLU 382 Cb 0.15 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 1j3i h GLU 382 CO -0.17 0.34 0.55 1.25 -0.73 0.00 0.00 179.01 180.25 1j3i h LEU 383 N 0.53 1.13 -0.79 1.64 5.85 -0.29 0.16 115.31 123.54 1j3i h LEU 383 Ca 0.17 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 1j3i h LEU 383 Cb -0.01 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 1j3i h LEU 383 CO -0.07 0.88 -0.41 -0.07 -0.34 0.00 0.00 178.44 178.43 1j3i h LEU 384 N 1.29 0.44 -0.65 2.25 3.38 -0.54 -1.02 115.31 120.45 1j3i h LEU 384 Ca 0.33 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1j3i h LEU 384 Cb -0.04 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1j3i h LEU 384 CO -0.06 0.80 -0.08 -0.25 0.09 0.00 0.00 178.44 178.94 1j3i h TRP 385 N 0.34 1.07 0.03 1.13 7.01 -0.01 -1.63 115.95 123.90 1j3i h TRP 385 Ca 0.03 -0.20 -0.00 0.00 2.11 0.00 0.00 58.89 60.82 1j3i h TRP 385 Cb 0.87 -0.27 0.00 0.00 -2.10 0.00 0.00 29.16 27.65 1j3i h TRP 385 CO 0.03 0.99 -0.02 0.74 -2.79 0.00 0.00 178.44 177.39 1j3i h PHE 386 N 0.87 -0.04 -0.59 2.65 0.04 -0.23 -2.41 116.94 117.23 1j3i h PHE 386 Ca 0.14 -0.00 0.10 0.00 2.80 0.00 0.00 57.97 61.01 1j3i h PHE 386 Cb 0.62 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.75 1j3i h PHE 386 CO 0.04 0.22 0.40 0.82 -0.60 0.00 0.00 178.31 179.19 1j3i h ILE 387 N -0.30 0.89 0.00 -0.55 2.04 -1.07 0.28 117.51 118.80 1j3i h ILE 387 Ca -0.00 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1j3i h ILE 387 Cb 0.28 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1j3i h ILE 387 CO 0.01 0.07 0.00 0.54 0.00 0.00 0.00 178.15 178.77 1j3i n ARG 388 N -4.47 0.40 -1.12 2.37 1.74 -0.62 -4.89 116.66 110.08 1j3i n ARG 388 Ca 0.10 0.03 -0.04 0.00 -0.77 0.00 0.00 57.85 57.17 1j3i n ARG 388 Cb 0.38 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.30 1j3i n ARG 388 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j3i n GLY 389 N 0.97 0.70 3.81 -0.13 0.00 0.99 -5.02 105.19 106.51 1j3i n GLY 389 Ca 0.13 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 1j3i n GLY 389 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3i s GLU 390 N -2.18 3.61 0.00 1.61 2.02 -0.92 -3.87 118.70 118.97 1j3i s GLU 390 Ca 0.00 1.16 0.00 0.00 0.02 0.00 0.00 54.97 56.15 1j3i s GLU 390 Cb 0.00 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.15 1j3i s GLU 390 CO 0.00 -0.56 0.57 0.25 0.02 0.00 0.00 175.26 175.54 1j3i n THR 391 N -1.66 0.19 -3.05 3.63 -2.24 -1.26 -4.34 114.28 105.55 1j3i n THR 391 Ca 0.08 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.23 1j3i n THR 391 Cb 0.53 0.95 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 1j3i n THR 391 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1j3i s ASN 392 N -0.19 6.26 0.56 3.42 3.84 -1.26 -2.29 114.94 125.28 1j3i s ASN 392 Ca 0.00 -0.76 0.25 0.00 0.21 0.00 0.00 52.86 52.56 1j3i s ASN 392 Cb 0.00 -2.34 1.62 0.00 -0.55 0.00 0.00 41.25 39.98 1j3i s ASN 392 CO 0.00 -1.02 2.21 1.23 -2.79 0.00 0.00 177.10 176.73 1j3i h GLY 393 N 10.15 0.00 1.73 1.21 0.00 -1.34 -2.23 103.07 112.59 1j3i h GLY 393 Ca -0.27 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 1j3i h GLY 393 CO 1.01 0.00 0.10 3.43 0.00 0.00 0.00 176.54 181.08 1j3i h ASN 394 N 0.00 0.31 -0.67 0.19 -0.26 -1.92 -2.22 115.58 111.01 1j3i h ASN 394 Ca 0.00 -0.02 0.06 0.00 -0.56 0.00 0.00 56.30 55.78 1j3i h ASN 394 Cb 0.02 -0.08 -0.05 0.00 -1.06 0.00 0.00 38.32 37.15 1j3i h ASN 394 CO -0.00 0.29 0.37 0.74 -1.06 0.00 0.00 177.43 177.78 1j3i h THR 395 N 0.35 0.97 -0.12 2.81 2.02 -1.80 -0.83 112.91 116.32 1j3i h THR 395 Ca 0.09 -0.24 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 1j3i h THR 395 Cb 0.08 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1j3i h THR 395 CO -0.01 0.13 -0.29 -0.07 0.37 0.00 0.00 175.52 175.64 1j3i h LEU 396 N 0.69 0.46 -1.00 2.58 3.38 -1.57 -3.22 115.31 116.64 1j3i h LEU 396 Ca 0.30 -0.58 0.13 0.00 0.09 0.00 0.00 57.88 57.81 1j3i h LEU 396 Cb 0.18 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.71 1j3i h LEU 396 CO -0.18 0.96 0.62 -0.07 0.09 0.00 0.00 178.44 179.86 1j3i h LEU 397 N -0.02 0.90 -0.68 1.67 3.38 -1.10 0.84 115.31 120.29 1j3i h LEU 397 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1j3i h LEU 397 Cb 0.90 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1j3i h LEU 397 CO 0.06 0.47 0.00 0.59 0.09 0.00 0.00 178.44 179.65 1j3i n ASN 398 N -4.64 0.40 -0.81 -0.43 3.02 -0.34 -0.25 115.26 112.20 1j3i n ASN 398 Ca 0.19 0.64 0.07 0.00 -0.03 0.00 0.00 54.58 55.45 1j3i n ASN 398 Cb 0.37 -0.71 0.20 0.00 -0.61 0.00 0.00 39.78 39.03 1j3i n ASN 398 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1j3i n LYS 399 N -1.98 2.88 -3.56 3.52 5.02 0.21 -4.96 118.16 119.29 1j3i n LYS 399 Ca 0.01 -2.23 -0.23 0.00 -2.02 0.00 0.00 58.31 53.84 1j3i n LYS 399 Cb 0.12 -1.37 0.08 0.00 -0.02 0.00 0.00 35.03 33.84 1j3i n LYS 399 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1j3i n ASN 400 N 0.70 -6.03 -4.21 4.39 5.15 0.65 -4.99 115.26 110.92 1j3i n ASN 400 Ca 0.15 -0.53 -0.35 0.00 -0.60 0.00 0.00 54.58 53.25 1j3i n ASN 400 Cb 0.50 -4.90 -0.14 0.00 -0.53 0.00 0.00 39.78 34.71 1j3i n ASN 400 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1j3i s VAL 401 N -3.31 3.13 -0.61 3.44 1.01 -0.75 -4.99 120.40 118.31 1j3i s VAL 401 Ca 0.54 -1.18 0.16 0.00 0.00 0.00 0.00 61.98 61.50 1j3i s VAL 401 Cb -0.24 -2.72 0.65 0.00 0.00 0.00 0.00 36.38 34.07 1j3i s VAL 401 CO 0.71 -0.00 1.56 0.54 0.00 0.00 0.00 175.10 177.91 1j3i n ARG 402 N 4.68 3.72 -0.35 2.72 1.74 -1.26 -3.32 116.66 124.59 1j3i n ARG 402 Ca -0.14 -2.86 0.12 0.00 -0.77 0.00 0.00 57.85 54.20 1j3i n ARG 402 Cb 0.45 -1.91 0.32 0.00 -1.02 0.00 0.00 32.46 30.30 1j3i n ARG 402 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1j3i h ILE 403 N 3.19 0.76 -0.49 0.55 2.04 -1.96 -2.17 117.51 119.43 1j3i h ILE 403 Ca 0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.59 1j3i h ILE 403 Cb 1.51 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 1j3i h ILE 403 CO 0.27 0.14 0.00 0.79 0.00 0.00 0.00 178.15 179.36 1j3i n TRP 404 N -4.71 0.64 0.29 1.37 7.02 -1.26 -4.70 117.44 116.09 1j3i n TRP 404 Ca 0.22 -0.36 -0.17 0.00 -1.02 0.00 0.00 57.50 56.16 1j3i n TRP 404 Cb 0.53 -0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 29.33 1j3i n TRP 404 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1j3i h GLU 405 N 3.95 -0.91 -0.44 -0.99 4.81 -1.70 -2.82 114.58 116.47 1j3i h GLU 405 Ca 0.00 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.42 1j3i h GLU 405 Cb 0.93 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1j3i h GLU 405 CO 0.00 -0.60 0.32 0.00 -0.73 0.00 0.00 179.01 177.99 1j3i h ALA 406 N -0.69 2.39 -0.00 2.92 0.00 -1.84 -1.28 119.26 120.76 1j3i h ALA 406 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1j3i h ALA 406 Cb 0.81 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1j3i h ALA 406 CO -0.04 -0.51 -0.02 0.09 0.00 0.00 0.00 179.25 178.77 1j3i n ASN 407 N -4.41 0.21 -0.34 0.00 3.02 -1.07 -3.68 115.26 108.98 1j3i n ASN 407 Ca 0.08 -0.70 0.04 0.00 -0.03 0.00 0.00 54.58 53.96 1j3i n ASN 407 Cb 0.50 -0.10 0.10 0.00 -0.61 0.00 0.00 39.78 39.67 1j3i n ASN 407 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j3i n GLY 408 N 1.15 3.17 3.83 7.41 0.00 -0.48 -4.62 105.19 115.65 1j3i n GLY 408 Ca 0.19 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1j3i n GLY 408 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j3i s THR 409 N -1.33 4.17 0.20 2.61 -4.23 -1.23 -0.10 115.64 115.73 1j3i s THR 409 Ca 0.16 0.86 -0.10 0.00 -1.18 0.00 0.00 61.69 61.42 1j3i s THR 409 Cb 0.10 -3.53 0.15 0.00 1.34 0.00 0.00 72.50 70.56 1j3i s THR 409 CO 0.07 -0.77 1.72 -0.09 -0.54 0.00 0.00 174.62 175.01 1j3i h ARG 410 N -0.02 0.28 -0.26 3.99 9.65 -1.96 0.39 114.38 126.46 1j3i h ARG 410 Ca -0.45 -0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.41 1j3i h ARG 410 Cb 1.21 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.71 1j3i h ARG 410 CO 0.59 0.18 0.15 0.93 2.80 0.00 0.00 179.97 184.62 1j3i h GLU 411 N 0.29 0.36 -0.15 0.20 3.07 -1.97 -0.37 114.58 116.01 1j3i h GLU 411 Ca 0.30 -0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.11 1j3i h GLU 411 Cb 0.42 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1j3i h GLU 411 CO -0.36 0.29 0.05 0.35 -1.40 0.00 0.00 179.01 177.95 1j3i h PHE 412 N 0.32 0.24 -0.82 4.33 3.04 -1.61 -1.18 116.94 121.26 1j3i h PHE 412 Ca 0.09 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.04 1j3i h PHE 412 Cb 0.03 -0.07 -0.04 0.00 2.56 0.00 0.00 35.95 38.43 1j3i h PHE 412 CO -0.04 0.33 0.54 -0.07 -2.02 0.00 0.00 178.31 177.04 1j3i h LEU 413 N 0.08 0.92 -0.78 0.59 3.38 -0.88 -2.08 115.31 116.54 1j3i h LEU 413 Ca 0.05 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1j3i h LEU 413 Cb 0.20 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1j3i h LEU 413 CO -0.00 0.65 0.18 0.44 0.09 0.00 0.00 178.44 179.79 1j3i h ASP 414 N 1.08 1.03 0.49 -0.43 3.32 -0.89 0.29 116.42 121.30 1j3i h ASP 414 Ca 0.31 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1j3i h ASP 414 Cb -0.08 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.20 1j3i h ASP 414 CO -0.08 0.98 -0.04 0.78 -1.72 0.00 0.00 179.24 179.16 1j3i h ASN 415 N 1.04 0.00 -0.17 6.45 2.35 -0.53 0.12 115.58 124.83 1j3i h ASN 415 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1j3i h ASN 415 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1j3i h ASN 415 CO 0.00 0.04 0.00 0.54 -1.65 0.00 0.00 177.43 176.36 1j3i n ARG 416 N -3.27 1.83 -1.81 0.81 5.12 -0.70 -4.90 116.66 113.74 1j3i n ARG 416 Ca -0.01 -1.24 -0.10 0.00 -1.93 0.00 0.00 57.85 54.57 1j3i n ARG 416 Cb 0.21 -1.42 -0.02 0.00 -1.16 0.00 0.00 32.46 30.07 1j3i n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1j3i n LYS 417 N 0.47 -0.72 -2.43 5.56 4.76 0.41 -4.93 118.16 121.28 1j3i n LYS 417 Ca 0.17 0.62 -0.40 0.00 -2.87 0.00 0.00 58.31 55.82 1j3i n LYS 417 Cb 0.37 -4.60 0.02 0.00 -1.84 0.00 0.00 35.03 28.98 1j3i n LYS 417 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1j3i n LEU 418 N -1.26 7.44 0.07 -0.35 4.77 0.92 -4.77 117.00 123.83 1j3i n LEU 418 Ca -0.11 -5.22 0.11 0.00 -0.03 0.00 0.00 56.01 50.76 1j3i n LEU 418 Cb 0.48 -1.17 0.58 0.00 -2.33 0.00 0.00 43.42 40.97 1j3i n LEU 418 CO 0.14 2.00 1.14 -0.26 -1.33 0.00 0.00 177.39 179.07 1j3i h PHE 419 N 4.02 0.19 -0.52 -1.77 0.04 -1.86 -2.49 116.94 114.54 1j3i h PHE 419 Ca 0.56 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.29 1j3i h PHE 419 Cb 0.28 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 1j3i h PHE 419 CO 1.34 0.10 0.06 0.72 -0.60 0.00 0.00 178.31 179.93 1j3i n HIS 420 N -4.47 1.86 -4.16 -0.55 8.25 -1.26 -4.89 115.22 109.99 1j3i n HIS 420 Ca 0.04 -0.72 -0.34 0.00 -0.26 0.00 0.00 57.72 56.44 1j3i n HIS 420 Cb 0.27 -0.49 -0.10 0.00 1.12 0.00 0.00 29.99 30.79 1j3i n HIS 420 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1j3i s ARG 421 N -2.52 3.80 0.52 -0.41 6.06 -0.94 -5.09 118.95 120.37 1j3i s ARG 421 Ca 0.46 -0.40 -0.21 0.00 -2.50 0.00 0.00 55.73 53.08 1j3i s ARG 421 Cb 0.36 -3.08 -0.06 0.00 0.06 0.00 0.00 34.95 32.23 1j3i s ARG 421 CO 0.13 0.31 1.22 -2.00 -2.50 0.00 0.00 175.30 172.46 1j3i s GLU 422 N 0.24 3.38 0.25 5.12 2.12 -1.26 -4.91 118.70 123.64 1j3i s GLU 422 Ca 0.02 1.88 -0.30 0.00 0.36 0.00 0.00 54.97 56.93 1j3i s GLU 422 Cb -0.13 -2.22 -0.14 0.00 0.26 0.00 0.00 34.13 31.91 1j3i s GLU 422 CO 0.01 -0.89 1.30 0.28 -0.54 0.00 0.00 175.26 175.41 1j3i n VAL 423 N -0.96 1.28 -0.97 3.70 0.31 -1.26 -0.91 118.33 119.51 1j3i n VAL 423 Ca 0.10 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 1j3i n VAL 423 Cb 0.48 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.07 1j3i n VAL 423 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1j3i n ASN 424 N 1.75 -3.79 -4.38 4.52 5.03 0.86 -4.93 115.26 114.33 1j3i n ASN 424 Ca 0.11 0.00 -0.45 0.00 0.87 0.00 0.00 54.58 55.10 1j3i n ASN 424 Cb 0.31 -1.72 -0.03 0.00 -1.02 0.00 0.00 39.78 37.32 1j3i n ASN 424 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1j3i s ASP 425 N -2.07 6.57 0.00 6.41 -1.08 -0.09 -0.81 116.67 125.61 1j3i s ASP 425 Ca 0.00 -2.16 0.07 0.00 -0.52 0.00 0.00 52.55 49.93 1j3i s ASP 425 Cb 0.00 -2.30 0.30 0.00 -1.46 0.00 0.00 42.92 39.46 1j3i s ASP 425 CO 0.00 -0.87 1.17 0.18 0.52 0.00 0.00 175.17 176.17 1j3i n LEU 426 N 5.43 0.00 0.00 -1.34 4.77 -0.97 -4.78 117.00 120.12 1j3i n LEU 426 Ca 0.11 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 1j3i n LEU 426 Cb 0.47 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1j3i n LEU 426 CO 0.45 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 1j3i n GLY 427 N -0.79 -2.15 2.59 -0.72 0.00 -1.26 -1.27 105.19 101.59 1j3i n GLY 427 Ca 0.02 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.14 1j3i n GLY 427 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j3i n PRO 428 N -0.15 2.57 -0.35 1.61 -0.04 -1.26 -4.81 135.00 132.57 1j3i n PRO 428 Ca 0.00 -1.83 -0.01 0.00 -0.04 0.00 0.00 63.50 61.62 1j3i n PRO 428 Cb 0.00 -2.69 0.01 0.00 -0.04 0.00 0.00 33.50 30.78 1j3i n PRO 428 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1j3i n ILE 429 N 4.31 0.00 -0.00 0.52 -5.35 -1.26 -4.50 119.36 113.08 1j3i n ILE 429 Ca 0.56 -0.04 -0.00 0.00 -0.27 0.00 0.00 62.75 63.00 1j3i n ILE 429 Cb 0.22 -1.70 -0.00 0.00 -1.74 0.00 0.00 39.64 36.42 1j3i n ILE 429 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1j3i n TYR 430 N -1.77 -0.00 -0.21 4.28 4.01 -1.26 -0.64 117.16 121.57 1j3i n TYR 430 Ca 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.74 1j3i n TYR 430 Cb 0.02 -0.09 0.06 0.00 -0.31 0.00 0.00 39.34 39.03 1j3i n TYR 430 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1j3i h GLY 431 N 0.00 0.46 1.00 2.72 0.00 -1.76 0.71 103.07 106.20 1j3i h GLY 431 Ca 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1j3i h GLY 431 CO -0.00 -0.23 0.39 -2.75 0.00 0.00 0.00 176.54 173.94 1j3i h PHE 432 N 0.01 0.87 -0.08 5.60 3.57 -0.98 -2.38 116.94 123.54 1j3i h PHE 432 Ca 0.30 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.66 1j3i h PHE 432 Cb 0.46 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1j3i h PHE 432 CO -0.50 0.59 -0.56 1.96 -2.23 0.00 0.00 178.31 177.58 1j3i h GLN 433 N 0.89 0.23 -0.42 1.11 1.08 -0.65 0.36 115.11 117.71 1j3i h GLN 433 Ca 0.23 -0.15 -0.11 0.00 -1.45 0.00 0.00 58.65 57.17 1j3i h GLN 433 Cb -0.01 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1j3i h GLN 433 CO -0.04 0.73 -0.19 -1.49 -0.95 0.00 0.00 178.83 176.89 1j3i h TRP 434 N 0.18 0.92 0.00 2.96 4.06 -0.57 -2.81 115.95 120.70 1j3i h TRP 434 Ca -0.00 -0.20 0.00 0.00 2.06 0.00 0.00 58.89 60.75 1j3i h TRP 434 Cb 1.04 -0.22 0.00 0.00 -1.00 0.00 0.00 29.16 28.98 1j3i h TRP 434 CO 0.02 0.94 -1.47 0.54 -3.56 0.00 0.00 178.44 174.91 1j3i n ARG 435 N -4.13 0.84 -2.27 0.49 5.12 -0.93 -1.06 116.66 114.73 1j3i n ARG 435 Ca 0.01 -0.11 0.02 0.00 -1.93 0.00 0.00 57.85 55.83 1j3i n ARG 435 Cb 0.42 -1.32 0.04 0.00 -1.16 0.00 0.00 32.46 30.43 1j3i n ARG 435 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1j3i n HIS 436 N -1.87 0.69 -1.63 -1.55 8.25 0.12 -3.42 115.22 115.81 1j3i n HIS 436 Ca -0.02 -1.44 -0.50 0.00 -0.26 0.00 0.00 57.72 55.51 1j3i n HIS 436 Cb 0.36 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 1j3i n HIS 436 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1j3i n PHE 437 N -0.15 1.87 0.00 4.41 -0.00 -0.80 -1.27 117.46 121.52 1j3i n PHE 437 Ca 0.06 0.46 0.00 0.00 -0.00 0.00 0.00 57.45 57.97 1j3i n PHE 437 Cb 0.95 -2.43 0.00 0.00 -0.00 0.00 0.00 39.48 37.99 1j3i n PHE 437 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1j3i n GLY 438 N 3.01 3.21 3.73 7.13 0.00 -1.26 0.23 105.19 121.25 1j3i n GLY 438 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1j3i n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3i s ALA 439 N -2.71 2.05 -0.13 4.61 0.00 -0.40 -4.85 121.76 120.34 1j3i s ALA 439 Ca 0.00 0.52 -0.28 0.00 0.00 0.00 0.00 51.96 52.20 1j3i s ALA 439 Cb 0.00 -3.37 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 1j3i s ALA 439 CO 0.00 -1.97 0.92 -1.21 0.00 0.00 0.00 175.76 173.50 1j3i s GLU 440 N -4.51 4.38 0.15 0.00 8.01 -1.26 -4.99 118.70 120.47 1j3i s GLU 440 Ca 0.66 1.22 -0.26 0.00 0.01 0.00 0.00 54.97 56.60 1j3i s GLU 440 Cb -0.21 -3.55 -0.08 0.00 -4.31 0.00 0.00 34.13 25.98 1j3i s GLU 440 CO 0.52 -0.30 0.82 -0.47 0.01 0.00 0.00 175.26 175.84 1j3i s TYR 441 N 1.99 3.89 0.00 1.61 5.04 -1.26 -4.96 117.35 123.65 1j3i s TYR 441 Ca 0.44 1.67 0.00 0.00 -2.44 0.00 0.00 57.07 56.74 1j3i s TYR 441 Cb -0.18 -2.83 0.00 0.00 0.35 0.00 0.00 41.96 39.30 1j3i s TYR 441 CO 0.16 0.44 0.00 0.25 -1.34 0.00 0.00 175.55 175.06 1j3i n THR 442 N 1.88 0.00 -3.87 4.34 -2.24 -1.26 -5.09 114.28 108.03 1j3i n THR 442 Ca -0.04 0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1j3i n THR 442 Cb 0.49 -0.73 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 1j3i n THR 442 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1j3i s ASN 443 N -0.86 0.06 0.27 3.42 2.20 -1.26 -5.05 114.94 113.71 1j3i s ASN 443 Ca 0.00 -0.70 0.18 0.00 -0.94 0.00 0.00 52.86 51.40 1j3i s ASN 443 Cb 0.00 0.39 0.96 0.00 -2.00 0.00 0.00 41.25 40.59 1j3i s ASN 443 CO 0.00 -0.80 1.53 1.15 -2.94 0.00 0.00 177.10 176.04 1j3i n MET 444 N -0.13 0.11 0.00 3.55 0.00 -1.26 -2.09 117.12 117.30 1j3i n MET 444 Ca -0.12 0.61 0.11 0.00 0.00 0.00 0.00 57.70 58.29 1j3i n MET 444 Cb 0.63 -1.88 -0.03 0.00 0.00 0.00 0.00 33.22 31.93 1j3i n MET 444 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1j3i n TYR 445 N -2.12 0.00 -0.93 3.17 4.01 -1.26 -4.68 117.16 115.36 1j3i n TYR 445 Ca -0.01 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.41 1j3i n TYR 445 Cb 0.04 -0.05 0.14 0.00 -0.31 0.00 0.00 39.34 39.16 1j3i n TYR 445 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1j3i s ASP 446 N -2.95 3.42 -0.35 7.72 -1.08 -0.89 -4.98 116.67 117.56 1j3i s ASP 446 Ca 0.10 2.16 -0.17 0.00 -0.52 0.00 0.00 52.55 54.12 1j3i s ASP 446 Cb 0.16 -2.56 -0.01 0.00 -1.46 0.00 0.00 42.92 39.06 1j3i s ASP 446 CO 0.81 -2.77 0.44 0.21 0.52 0.00 0.00 175.17 174.38 1j3i s ASN 447 N -2.68 6.25 -0.08 -0.34 3.84 -1.26 -4.95 114.94 115.72 1j3i s ASN 447 Ca 0.67 -0.16 0.17 0.00 0.21 0.00 0.00 52.86 53.75 1j3i s ASN 447 Cb -0.23 -2.23 0.59 0.00 -0.55 0.00 0.00 41.25 38.82 1j3i s ASN 447 CO 0.55 -0.43 1.50 -1.22 -2.79 0.00 0.00 177.10 174.72 1j3i n TYR 448 N 5.58 1.09 -1.56 0.43 4.01 -1.26 -5.02 117.16 120.43 1j3i n TYR 448 Ca -0.07 -0.60 -0.57 0.00 -0.16 0.00 0.00 57.90 56.50 1j3i n TYR 448 Cb 0.49 -0.16 -0.07 0.00 -0.31 0.00 0.00 39.34 39.28 1j3i n TYR 448 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1j3i n GLU 449 N 0.85 0.50 -1.83 -0.72 1.02 -1.26 -1.21 120.64 117.99 1j3i n GLU 449 Ca 0.22 0.18 -0.19 0.00 -0.02 0.00 0.00 57.16 57.35 1j3i n GLU 449 Cb 0.74 -1.75 -0.06 0.00 -0.02 0.00 0.00 31.44 30.35 1j3i n GLU 449 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1j3i n ASN 450 N 2.24 -5.20 -4.49 1.62 4.13 -1.26 -4.99 115.26 107.31 1j3i n ASN 450 Ca 0.20 0.33 -0.33 0.00 1.68 0.00 0.00 54.58 56.46 1j3i n ASN 450 Cb 0.12 -4.53 -0.13 0.00 -1.54 0.00 0.00 39.78 33.70 1j3i n ASN 450 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1j3i s LYS 451 N -4.09 2.85 0.04 3.52 1.02 -0.35 -5.01 119.74 117.72 1j3i s LYS 451 Ca 0.00 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.36 1j3i s LYS 451 Cb 0.00 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.77 1j3i s LYS 451 CO 0.00 0.53 0.00 0.41 -0.92 0.00 0.00 175.35 175.37 1j3i n GLY 452 N 2.61 -1.73 3.69 -3.33 0.00 -1.26 -4.43 105.19 100.74 1j3i n GLY 452 Ca -0.18 -1.48 -0.39 0.00 0.00 0.00 0.00 46.02 43.97 1j3i n GLY 452 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3i s VAL 453 N -1.71 5.09 -1.14 1.61 1.01 0.14 -4.73 120.40 120.66 1j3i s VAL 453 Ca 0.00 1.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.98 1j3i s VAL 453 Cb 0.00 -3.92 0.14 0.00 0.00 0.00 0.00 36.38 32.60 1j3i s VAL 453 CO 0.00 0.22 1.40 -0.62 0.00 0.00 0.00 175.10 176.10 1j3i s ASP 454 N 0.91 6.91 0.25 3.32 -1.08 -1.22 -1.91 116.67 123.85 1j3i s ASP 454 Ca 0.30 -2.63 -0.05 0.00 -0.52 0.00 0.00 52.55 49.65 1j3i s ASP 454 Cb -0.16 -2.43 0.33 0.00 -1.46 0.00 0.00 42.92 39.20 1j3i s ASP 454 CO 0.12 -0.91 1.88 1.56 0.52 0.00 0.00 175.17 178.34 1j3i h GLN 455 N 7.73 1.08 0.31 4.34 4.20 -1.35 -1.44 115.11 129.98 1j3i h GLN 455 Ca 0.29 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 1j3i h GLN 455 Cb 0.92 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1j3i h GLN 455 CO 1.25 0.72 -0.22 1.25 -0.67 0.00 0.00 178.83 181.15 1j3i h LEU 456 N 1.12 -0.57 -0.63 1.46 5.85 -1.65 0.59 115.31 121.48 1j3i h LEU 456 Ca 0.39 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.22 1j3i h LEU 456 Cb 0.09 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 1j3i h LEU 456 CO -0.15 -0.34 0.31 0.50 -0.34 0.00 0.00 178.44 178.42 1j3i h LYS 457 N -0.53 0.55 -0.65 1.25 1.63 -1.78 -2.03 116.57 115.01 1j3i h LYS 457 Ca -0.03 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1j3i h LYS 457 Cb 0.45 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 1j3i h LYS 457 CO 0.01 0.36 0.34 -0.91 -3.45 0.00 0.00 179.45 175.80 1j3i h ASN 458 N 0.56 0.82 -0.19 4.20 2.35 -0.88 -1.98 115.58 120.45 1j3i h ASN 458 Ca 0.30 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.84 1j3i h ASN 458 Cb 0.27 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1j3i h ASN 458 CO -0.23 0.69 -0.21 0.16 -1.65 0.00 0.00 177.43 176.18 1j3i h ILE 459 N 0.88 1.27 -0.67 2.81 -0.00 -0.28 -1.43 117.51 120.09 1j3i h ILE 459 Ca 0.23 -1.27 -0.05 0.00 -0.00 0.00 0.00 64.86 63.76 1j3i h ILE 459 Cb 0.06 1.24 -0.03 0.00 -0.00 0.00 0.00 36.82 38.09 1j3i h ILE 459 CO -0.03 0.42 0.22 0.40 -0.00 0.00 0.00 178.15 179.16 1j3i h ILE 460 N 0.57 1.24 -0.66 0.16 2.04 -1.15 -0.55 117.51 119.16 1j3i h ILE 460 Ca 0.08 -0.82 -0.08 0.00 1.00 0.00 0.00 64.86 65.04 1j3i h ILE 460 Cb 0.68 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 1j3i h ILE 460 CO 0.05 0.32 0.10 0.78 0.00 0.00 0.00 178.15 179.40 1j3i h ASN 461 N 0.99 1.05 -0.25 1.72 2.35 -0.90 -1.68 115.58 118.87 1j3i h ASN 461 Ca 0.22 -0.26 -0.11 0.00 -0.55 0.00 0.00 56.30 55.60 1j3i h ASN 461 Cb 0.26 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 1j3i h ASN 461 CO -0.01 1.05 -0.21 -0.07 -1.65 0.00 0.00 177.43 176.54 1j3i h LEU 462 N 1.01 0.71 -0.68 1.61 3.38 -0.80 0.19 115.31 120.74 1j3i h LEU 462 Ca 0.20 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 1j3i h LEU 462 Cb 0.45 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1j3i h LEU 462 CO 0.01 0.91 -0.26 0.40 0.09 0.00 0.00 178.44 179.59 1j3i h ILE 463 N 0.63 1.27 -0.04 1.22 2.04 -0.89 0.15 117.51 121.89 1j3i h ILE 463 Ca 0.09 -1.38 -0.18 0.00 1.00 0.00 0.00 64.86 64.39 1j3i h ILE 463 Cb 0.69 1.28 0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1j3i h ILE 463 CO 0.05 0.46 -0.69 0.11 0.00 0.00 0.00 178.15 178.08 1j3i h LYS 464 N 0.64 0.53 0.00 2.37 1.57 -0.97 -3.35 116.57 117.37 1j3i h LYS 464 Ca 0.08 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1j3i h LYS 464 Cb 0.77 0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1j3i h LYS 464 CO 0.06 1.15 -0.82 0.09 -0.57 0.00 0.00 179.45 179.37 1j3i n ASN 465 N -4.12 0.88 -2.89 0.86 3.02 0.65 -4.73 115.26 108.94 1j3i n ASN 465 Ca -0.10 -0.65 -0.12 0.00 -0.03 0.00 0.00 54.58 53.69 1j3i n ASN 465 Cb 0.71 1.12 0.03 0.00 -0.61 0.00 0.00 39.78 41.04 1j3i n ASN 465 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1j3i n ASP 466 N -1.44 -0.03 -0.21 6.41 2.03 0.49 -5.00 116.55 118.79 1j3i n ASP 466 Ca 0.01 -2.99 0.30 0.00 0.52 0.00 0.00 54.79 52.64 1j3i n ASP 466 Cb 0.23 0.15 0.73 0.00 -0.72 0.00 0.00 41.12 41.52 1j3i n ASP 466 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1j3i h PRO 467 N 2.86 0.00 -0.14 -0.67 0.13 -1.56 -0.14 132.00 132.47 1j3i h PRO 467 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1j3i h PRO 467 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1j3i h PRO 467 CO 0.35 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.37 1j3i n THR 468 N -4.18 0.18 -1.86 1.56 -2.24 -1.26 -3.95 114.28 102.53 1j3i n THR 468 Ca 0.20 -0.28 -0.38 0.00 -2.27 0.00 0.00 64.05 61.33 1j3i n THR 468 Cb 1.05 0.21 0.04 0.00 -2.10 0.00 0.00 70.33 69.53 1j3i n THR 468 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1j3i s SER 469 N -1.50 5.25 -0.22 3.42 0.15 -0.07 -4.92 113.70 115.81 1j3i s SER 469 Ca 0.30 2.64 0.14 0.00 0.70 0.00 0.00 55.95 59.72 1j3i s SER 469 Cb 0.15 -2.62 0.50 0.00 -1.71 0.00 0.00 66.02 62.34 1j3i s SER 469 CO 0.23 -1.57 1.42 0.54 1.20 0.00 0.00 173.24 175.06 1j3i n ARG 470 N -1.18 2.35 -0.27 5.44 1.74 -1.26 -4.42 116.66 119.05 1j3i n ARG 470 Ca 0.11 -2.95 0.08 0.00 -0.77 0.00 0.00 57.85 54.32 1j3i n ARG 470 Cb 0.46 -1.81 0.12 0.00 -1.02 0.00 0.00 32.46 30.22 1j3i n ARG 470 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1j3i n ARG 471 N -0.84 1.06 -2.85 5.56 1.74 -1.26 -4.92 116.66 115.15 1j3i n ARG 471 Ca 0.26 -2.40 -0.44 0.00 -0.77 0.00 0.00 57.85 54.51 1j3i n ARG 471 Cb 0.93 -1.29 -0.00 0.00 -1.02 0.00 0.00 32.46 31.07 1j3i n ARG 471 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1j3i s ILE 472 N -2.34 4.75 0.00 0.55 1.01 -1.26 -4.94 121.20 118.97 1j3i s ILE 472 Ca 0.28 -2.29 0.06 0.00 0.00 0.00 0.00 60.65 58.70 1j3i s ILE 472 Cb 0.25 -4.97 -0.02 0.00 0.01 0.00 0.00 42.46 37.74 1j3i s ILE 472 CO 0.00 -1.71 -0.19 -0.76 0.00 0.00 0.00 174.94 172.29 1j3i s LEU 473 N 2.42 2.07 -0.27 2.97 1.02 -1.26 -1.05 118.68 124.59 1j3i s LEU 473 Ca 0.44 -0.38 -0.01 0.00 0.02 0.00 0.00 54.13 54.20 1j3i s LEU 473 Cb -0.01 -0.93 0.04 0.00 0.02 0.00 0.00 46.19 45.30 1j3i s LEU 473 CO 0.00 0.20 -0.06 -0.22 0.02 0.00 0.00 176.35 176.30 1j3i s LEU 474 N -0.64 3.44 -0.15 1.79 2.96 0.18 -4.93 118.68 121.33 1j3i s LEU 474 Ca 0.07 -1.10 -0.01 0.00 -0.22 0.00 0.00 54.13 52.87 1j3i s LEU 474 Cb -0.08 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 1j3i s LEU 474 CO -0.00 -0.18 -0.12 0.00 -1.32 0.00 0.00 176.35 174.73 1j3i n ALA 476 N 3.79 3.93 -2.57 0.00 0.00 -0.43 -4.76 120.51 120.47 1j3i n ALA 476 Ca -0.18 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.33 1j3i n ALA 476 Cb 0.52 -0.67 -0.01 0.00 0.00 0.00 0.00 19.45 19.29 1j3i n ALA 476 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1j3i s TRP 477 N -2.93 2.70 -0.69 0.00 -0.11 -1.24 -4.83 118.94 111.84 1j3i s TRP 477 Ca 0.03 -1.40 -0.20 0.00 1.22 0.00 0.00 56.10 55.76 1j3i s TRP 477 Cb 0.14 -4.73 0.10 0.00 -1.50 0.00 0.00 33.47 27.48 1j3i s TRP 477 CO 0.78 -1.84 0.86 1.21 -4.62 0.00 0.00 176.95 173.34 1j3i s ASN 478 N 4.46 6.29 0.35 5.86 3.84 -1.26 -4.92 114.94 129.56 1j3i s ASN 478 Ca 0.52 -1.48 0.14 0.00 0.21 0.00 0.00 52.86 52.26 1j3i s ASN 478 Cb 0.03 -2.35 1.05 0.00 -0.55 0.00 0.00 41.25 39.43 1j3i s ASN 478 CO 0.03 -1.18 1.69 0.58 -2.79 0.00 0.00 177.10 175.44 1j3i h VAL 479 N 5.86 0.38 0.00 -5.21 2.07 -2.01 -0.46 116.25 116.88 1j3i h VAL 479 Ca -0.19 -0.14 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 1j3i h VAL 479 Cb 1.07 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1j3i h VAL 479 CO 1.11 0.07 -0.35 0.50 0.02 0.00 0.00 177.57 178.92 1j3i h LYS 480 N 0.40 0.00 -0.10 1.57 3.64 -2.01 -3.18 116.57 116.88 1j3i h LYS 480 Ca 0.70 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.08 1j3i h LYS 480 Cb 1.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1j3i h LYS 480 CO -0.53 0.35 0.00 -0.25 -2.27 0.00 0.00 179.45 176.75 1j3i n ASP 481 N -4.08 2.83 -0.19 4.20 8.00 -0.22 -4.68 116.55 122.41 1j3i n ASP 481 Ca -0.02 -1.87 -0.06 0.00 0.71 0.00 0.00 54.79 53.55 1j3i n ASP 481 Cb 0.39 -0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1j3i n ASP 481 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1j3i h LEU 482 N 3.97 -1.19 -2.20 0.64 3.38 -1.42 -1.45 115.31 117.03 1j3i h LEU 482 Ca 0.00 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.23 1j3i h LEU 482 Cb 0.86 0.58 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 1j3i h LEU 482 CO 0.00 -0.31 0.11 0.44 0.09 0.00 0.00 178.44 178.76 1j3i h ASP 483 N -0.19 0.00 0.83 -0.43 3.32 -1.84 -0.60 116.42 117.50 1j3i h ASP 483 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1j3i h ASP 483 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1j3i h ASP 483 CO -0.65 0.00 -0.15 0.00 -1.72 0.00 0.00 179.24 176.71 1j3i n GLN 484 N -4.11 0.02 -2.91 3.56 6.02 -0.57 -4.84 117.38 114.56 1j3i n GLN 484 Ca -0.00 -0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.61 1j3i n GLN 484 Cb 0.22 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.92 1j3i n GLN 484 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1j3i s MET 485 N -2.98 4.50 0.31 -1.09 -1.94 -0.23 -4.30 119.30 113.56 1j3i s MET 485 Ca 0.14 1.17 0.07 0.00 -1.71 0.00 0.00 55.69 55.36 1j3i s MET 485 Cb 0.19 -2.94 0.82 0.00 2.01 0.00 0.00 34.83 34.90 1j3i s MET 485 CO 0.58 0.38 1.73 0.00 -0.01 0.00 0.00 175.02 177.71 1j3i h ALA 486 N 3.52 1.69 -1.91 3.03 0.00 -1.48 -3.41 119.26 120.69 1j3i h ALA 486 Ca -0.47 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1j3i h ALA 486 Cb 1.19 0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.79 1j3i h ALA 486 CO 0.65 -0.23 0.22 -0.48 0.00 0.00 0.00 179.25 179.41 1j3i s LEU 487 N -10.36 -0.65 0.54 0.00 2.34 -1.26 -4.96 118.68 104.32 1j3i s LEU 487 Ca -0.11 1.10 -0.22 0.00 0.06 0.00 0.00 54.13 54.96 1j3i s LEU 487 Cb 0.26 2.36 -0.05 0.00 -0.56 0.00 0.00 46.19 48.20 1j3i s LEU 487 CO 0.79 -0.34 1.36 -2.84 -1.06 0.00 0.00 176.35 174.27 1j3i s PRO 488 N -0.16 3.15 0.57 1.48 0.02 -1.26 -4.93 135.00 133.88 1j3i s PRO 488 Ca -0.03 2.24 -0.20 0.00 0.02 0.00 0.00 61.00 63.03 1j3i s PRO 488 Cb -0.03 -2.27 -0.04 0.00 0.02 0.00 0.00 34.50 32.18 1j3i s PRO 488 CO 0.02 -1.18 1.28 -1.25 -0.33 0.00 0.00 177.00 175.54 1j3i s PRO 489 N -2.90 3.02 -0.11 5.54 0.04 -1.26 -4.95 135.00 134.39 1j3i s PRO 489 Ca 0.71 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.84 1j3i s PRO 489 Cb -0.40 -2.08 -0.24 0.00 0.04 0.00 0.00 34.50 31.82 1j3i s PRO 489 CO 0.48 -1.22 0.42 0.00 0.04 0.00 0.00 177.00 176.72 1j3i s HIS 491 N -2.56 3.25 0.08 0.00 3.76 -1.26 -1.08 115.29 117.47 1j3i s HIS 491 Ca -0.13 -1.38 -0.25 0.00 -0.15 0.00 0.00 55.06 53.15 1j3i s HIS 491 Cb 0.07 -4.04 -0.16 0.00 1.11 0.00 0.00 32.58 29.57 1j3i s HIS 491 CO 0.79 -1.26 1.70 0.82 -0.85 0.00 0.00 174.74 175.93 1j3i h ILE 492 N 5.57 0.90 -3.02 0.60 1.08 -1.51 -3.42 117.51 117.71 1j3i h ILE 492 Ca -0.05 -0.05 0.03 0.00 -0.39 0.00 0.00 64.86 64.40 1j3i h ILE 492 Cb 1.06 0.93 -0.08 0.00 -3.07 0.00 0.00 36.82 35.65 1j3i h ILE 492 CO 1.00 0.01 0.21 -1.48 -0.69 0.00 0.00 178.15 177.20 1j3i s LEU 493 N -10.12 -0.37 -0.07 1.44 0.05 -1.23 -1.32 118.68 107.06 1j3i s LEU 493 Ca -0.14 -0.36 0.03 0.00 0.05 0.00 0.00 54.13 53.71 1j3i s LEU 493 Cb 0.05 2.64 0.01 0.00 -2.05 0.00 0.00 46.19 46.85 1j3i s LEU 493 CO 0.65 -1.18 -0.15 0.00 -0.55 0.00 0.00 176.35 175.12 1j3i s GLN 495 N 0.60 1.98 0.10 0.00 0.74 0.67 -0.65 119.66 123.10 1j3i s GLN 495 Ca -0.15 -0.77 0.05 0.00 0.05 0.00 0.00 55.36 54.53 1j3i s GLN 495 Cb -0.16 -1.79 -0.04 0.00 1.10 0.00 0.00 33.01 32.12 1j3i s GLN 495 CO 0.05 0.39 0.03 -0.06 -0.55 0.00 0.00 175.29 175.15 1j3i s PHE 496 N -0.29 3.03 -0.02 1.67 0.08 -0.21 -0.82 117.98 121.43 1j3i s PHE 496 Ca 0.02 -0.01 0.01 0.00 0.12 0.00 0.00 56.93 57.07 1j3i s PHE 496 Cb -0.11 -1.54 0.01 0.00 -0.57 0.00 0.00 43.02 40.82 1j3i s PHE 496 CO 0.01 0.49 -0.02 -0.47 -0.10 0.00 0.00 175.22 175.13 1j3i s TYR 497 N -1.39 0.38 -0.07 0.36 5.04 -0.11 -4.68 117.35 116.89 1j3i s TYR 497 Ca 0.27 -0.05 0.04 0.00 -2.44 0.00 0.00 57.07 54.88 1j3i s TYR 497 Cb -0.12 -0.36 0.00 0.00 0.35 0.00 0.00 41.96 41.84 1j3i s TYR 497 CO 0.19 -0.08 -0.19 0.08 -1.34 0.00 0.00 175.55 174.21 1j3i s VAL 498 N 0.53 1.64 -0.21 3.14 1.01 -1.25 -0.77 120.40 124.50 1j3i s VAL 498 Ca -0.06 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 1j3i s VAL 498 Cb -0.09 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 34.92 1j3i s VAL 498 CO -0.01 0.47 0.54 0.12 0.00 0.00 0.00 175.10 176.22 1j3i s PHE 499 N 0.29 -0.65 -1.56 5.22 5.36 -0.46 -4.74 117.98 121.45 1j3i s PHE 499 Ca -0.12 1.51 -0.02 0.00 -0.96 0.00 0.00 56.93 57.34 1j3i s PHE 499 Cb -0.15 0.26 0.02 0.00 -0.34 0.00 0.00 43.02 42.81 1j3i s PHE 499 CO 0.05 -0.32 0.14 -3.47 -1.46 0.00 0.00 175.22 170.15 1j3i n ASP 500 N 3.18 0.42 -0.13 6.13 2.03 -1.26 0.31 116.55 127.23 1j3i n ASP 500 Ca -0.16 -1.23 -0.02 0.00 0.52 0.00 0.00 54.79 53.91 1j3i n ASP 500 Cb 0.56 -1.85 -0.01 0.00 -0.72 0.00 0.00 41.12 39.11 1j3i n ASP 500 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j3i n GLY 501 N -2.34 0.45 3.30 0.27 0.00 -1.26 -5.01 105.19 100.61 1j3i n GLY 501 Ca -0.28 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 1j3i n GLY 501 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j3i s LYS 502 N -1.19 1.75 -0.14 1.61 1.02 0.15 -1.34 119.74 121.59 1j3i s LYS 502 Ca 0.00 -0.99 -0.02 0.00 0.02 0.00 0.00 55.97 54.97 1j3i s LYS 502 Cb 0.00 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 35.45 1j3i s LYS 502 CO 0.00 0.48 -0.07 -1.17 -0.92 0.00 0.00 175.35 173.68 1j3i s LEU 503 N -1.02 3.07 0.15 3.17 2.96 0.02 -1.35 118.68 125.68 1j3i s LEU 503 Ca 0.10 -0.19 0.10 0.00 -0.22 0.00 0.00 54.13 53.92 1j3i s LEU 503 Cb -0.09 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1j3i s LEU 503 CO 0.01 0.17 -0.22 -0.44 -1.32 0.00 0.00 176.35 174.55 1j3i s SER 504 N 0.32 2.98 -0.01 3.68 0.01 0.05 0.42 113.70 121.15 1j3i s SER 504 Ca -0.06 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1j3i s SER 504 Cb -0.15 -0.19 0.01 0.00 0.21 0.00 0.00 66.02 65.90 1j3i s SER 504 CO 0.04 0.08 -0.00 0.00 0.41 0.00 0.00 173.24 173.76 1j3i s ILE 506 N 0.43 3.18 -0.07 0.00 1.01 0.00 0.89 121.20 126.64 1j3i s ILE 506 Ca -0.04 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.00 1j3i s ILE 506 Cb -0.06 -2.31 0.01 0.00 0.01 0.00 0.00 42.46 40.11 1j3i s ILE 506 CO -0.01 0.55 -0.16 -0.32 0.00 0.00 0.00 174.94 175.00 1j3i s MET 507 N -0.12 2.03 -0.24 2.79 1.75 0.01 -0.24 119.30 125.28 1j3i s MET 507 Ca -0.01 -0.55 -0.09 0.00 -1.25 0.00 0.00 55.69 53.79 1j3i s MET 507 Cb -0.14 -1.63 -0.04 0.00 2.84 0.00 0.00 34.83 35.86 1j3i s MET 507 CO 0.03 0.10 0.13 -0.47 -0.65 0.00 0.00 175.02 174.16 1j3i s TYR 508 N 0.49 3.23 -0.25 4.11 6.14 -0.38 -0.91 117.35 129.78 1j3i s TYR 508 Ca -0.14 0.03 -0.03 0.00 0.64 0.00 0.00 57.07 57.57 1j3i s TYR 508 Cb -0.16 -2.26 0.01 0.00 0.42 0.00 0.00 41.96 39.98 1j3i s TYR 508 CO 0.05 -0.07 -0.03 -1.14 0.64 0.00 0.00 175.55 175.00 1j3i s GLN 509 N 1.24 3.05 0.43 4.97 0.74 0.84 -1.43 119.66 129.49 1j3i s GLN 509 Ca 0.06 -0.85 0.24 0.00 0.05 0.00 0.00 55.36 54.86 1j3i s GLN 509 Cb -0.14 -3.06 0.80 0.00 1.10 0.00 0.00 33.01 31.71 1j3i s GLN 509 CO 0.05 -0.34 1.77 0.07 -0.55 0.00 0.00 175.29 176.29 1j3i h ARG 510 N 8.08 0.00 -3.10 1.67 0.11 -1.40 0.22 114.38 119.96 1j3i h ARG 510 Ca -0.35 0.00 -0.28 0.00 0.10 0.00 0.00 59.98 59.45 1j3i h ARG 510 Cb 1.13 0.00 -0.35 0.00 1.11 0.00 0.00 29.97 31.86 1j3i h ARG 510 CO 0.59 0.22 -0.62 0.45 0.10 0.00 0.00 179.97 180.71 1j3i s SER 511 N -6.18 0.58 -0.13 0.08 0.15 -1.26 -1.71 113.70 105.23 1j3i s SER 511 Ca 0.02 0.34 -0.01 0.00 0.70 0.00 0.00 55.95 57.00 1j3i s SER 511 Cb 0.09 0.28 0.03 0.00 -1.71 0.00 0.00 66.02 64.72 1j3i s SER 511 CO 0.64 -0.23 -0.05 0.00 1.20 0.00 0.00 173.24 174.80 1j3i s ASP 513 N 1.71 6.35 0.21 0.00 2.15 -1.26 -1.03 116.67 124.80 1j3i s ASP 513 Ca 0.03 -1.20 -0.09 0.00 0.43 0.00 0.00 52.55 51.72 1j3i s ASP 513 Cb -0.14 -2.49 0.26 0.00 -0.30 0.00 0.00 42.92 40.26 1j3i s ASP 513 CO -0.08 -1.48 1.78 -0.07 -0.17 0.00 0.00 175.17 175.14 1j3i h LEU 514 N 11.98 0.40 -0.39 -1.34 -0.00 -1.48 -0.90 115.31 123.58 1j3i h LEU 514 Ca -0.06 0.05 -0.05 0.00 -0.00 0.00 0.00 57.88 57.82 1j3i h LEU 514 Cb 1.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.67 1j3i h LEU 514 CO 1.26 0.24 0.03 1.23 -0.00 0.00 0.00 178.44 181.20 1j3i h GLY 515 N 0.54 0.72 0.00 0.83 0.00 -1.91 -3.39 103.07 99.86 1j3i h GLY 515 Ca 0.30 -0.51 -0.22 0.00 0.00 0.00 0.00 47.33 46.91 1j3i h GLY 515 CO -0.24 0.47 -1.78 1.04 0.00 0.00 0.00 176.54 176.03 1j3i n LEU 516 N -4.49 2.00 0.10 3.11 4.77 -1.19 -4.82 117.00 116.48 1j3i n LEU 516 Ca -0.01 0.05 -0.07 0.00 -0.03 0.00 0.00 56.01 55.95 1j3i n LEU 516 Cb 0.26 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 1j3i n LEU 516 CO 0.40 0.51 0.21 1.23 -1.33 0.00 0.00 177.39 178.40 1j3i h GLY 517 N 0.26 -0.35 -0.77 -0.72 0.00 -1.45 -3.39 103.07 96.65 1j3i h GLY 517 Ca -0.33 0.13 0.25 0.00 0.00 0.00 0.00 47.33 47.39 1j3i h GLY 517 CO -0.13 -0.13 0.09 -2.08 0.00 0.00 0.00 176.54 174.29 1j3i h VAL 518 N -1.05 0.13 -1.00 4.60 2.07 -1.46 0.34 116.25 119.88 1j3i h VAL 518 Ca -0.03 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.55 1j3i h VAL 518 Cb 0.36 0.06 -0.07 0.00 -1.52 0.00 0.00 31.29 30.11 1j3i h VAL 518 CO 0.06 0.01 0.64 -0.65 0.02 0.00 0.00 177.57 177.64 1j3i h PRO 519 N 0.06 1.08 -0.15 1.57 0.11 -1.76 -1.17 132.00 131.74 1j3i h PRO 519 Ca 0.57 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 66.41 1j3i h PRO 519 Cb 1.17 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1j3i h PRO 519 CO -0.82 0.71 -0.73 0.74 -0.21 0.00 0.00 178.00 177.69 1j3i h PHE 520 N 1.11 0.90 -0.66 0.65 0.04 -1.17 -3.11 116.94 114.69 1j3i h PHE 520 Ca 0.45 -0.38 0.01 0.00 2.80 0.00 0.00 57.97 60.85 1j3i h PHE 520 Cb 0.27 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 1j3i h PHE 520 CO -0.00 1.19 0.44 -0.91 -0.60 0.00 0.00 178.31 178.42 1j3i h ASN 521 N 0.47 0.75 -0.61 2.17 -0.26 -0.42 0.13 115.58 117.81 1j3i h ASN 521 Ca -0.04 -0.02 0.01 0.00 -0.56 0.00 0.00 56.30 55.70 1j3i h ASN 521 Cb 1.34 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 38.38 1j3i h ASN 521 CO 0.14 0.54 0.40 0.40 -1.06 0.00 0.00 177.43 177.85 1j3i h ILE 522 N 0.88 1.15 -0.53 2.81 2.04 -1.28 -1.94 117.51 120.63 1j3i h ILE 522 Ca 0.25 -0.28 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 1j3i h ILE 522 Cb -0.08 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 1j3i h ILE 522 CO -0.06 0.15 -0.08 0.00 0.00 0.00 0.00 178.15 178.16 1j3i h ALA 523 N 1.23 0.73 0.39 1.87 0.00 -1.34 -2.28 119.26 119.86 1j3i h ALA 523 Ca 0.22 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1j3i h ALA 523 Cb -0.08 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1j3i h ALA 523 CO -0.05 0.62 -0.24 0.77 0.00 0.00 0.00 179.25 180.35 1j3i h SER 524 N 0.87 -0.59 1.02 0.00 0.02 -0.27 -1.61 113.55 113.00 1j3i h SER 524 Ca 0.14 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1j3i h SER 524 Cb 0.64 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1j3i h SER 524 CO 0.04 -0.38 0.00 1.88 -1.14 0.00 0.00 176.83 177.23 1j3i h TYR 525 N -0.60 0.00 -0.01 3.45 0.05 -1.40 -1.18 116.97 117.28 1j3i h TYR 525 Ca -0.04 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.51 1j3i h TYR 525 Cb 0.49 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.25 1j3i h TYR 525 CO -0.09 0.00 -0.88 0.77 -1.05 0.00 0.00 178.16 176.90 1j3i h SER 526 N 0.00 0.79 -0.37 3.88 0.02 -1.21 -0.27 113.55 116.38 1j3i h SER 526 Ca 0.00 -0.74 -0.05 0.00 -0.84 0.00 0.00 61.79 60.16 1j3i h SER 526 Cb 0.51 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1j3i h SER 526 CO 0.00 1.43 0.02 0.40 -1.14 0.00 0.00 176.83 177.54 1j3i h ILE 527 N 0.23 1.25 -0.74 3.27 2.04 -0.94 -1.61 117.51 121.01 1j3i h ILE 527 Ca -0.11 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1j3i h ILE 527 Cb 1.56 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 1j3i h ILE 527 CO 0.17 0.32 0.47 0.15 0.00 0.00 0.00 178.15 179.26 1j3i h PHE 528 N 0.47 0.95 -0.73 1.37 3.57 -1.21 0.12 116.94 121.48 1j3i h PHE 528 Ca 0.11 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 1j3i h PHE 528 Cb 0.43 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1j3i h PHE 528 CO 0.03 0.63 0.45 1.15 -2.23 0.00 0.00 178.31 178.34 1j3i h THR 529 N 1.01 1.21 -0.46 4.41 2.02 -0.74 0.39 112.91 120.75 1j3i h THR 529 Ca 0.27 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1j3i h THR 529 Cb -0.07 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 1j3i h THR 529 CO -0.05 0.21 0.19 0.45 0.37 0.00 0.00 175.52 176.69 1j3i h HIS 530 N 1.00 0.69 0.09 3.16 3.86 -0.25 -0.66 115.15 123.05 1j3i h HIS 530 Ca 0.26 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 1j3i h HIS 530 Cb -0.05 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.22 1j3i h HIS 530 CO -0.01 0.58 -0.04 0.52 0.86 0.00 0.00 177.93 179.84 1j3i h MET 531 N 0.60 -0.12 -0.94 2.45 2.07 -0.28 -0.46 114.93 118.24 1j3i h MET 531 Ca 0.15 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.79 1j3i h MET 531 Cb 0.18 0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 29.89 1j3i h MET 531 CO -0.01 -0.07 0.59 0.82 1.07 0.00 0.00 176.91 179.30 1j3i h ILE 532 N -0.13 1.25 -0.17 -1.22 1.08 -0.82 -1.99 117.51 115.51 1j3i h ILE 532 Ca -0.01 -0.51 -0.02 0.00 -0.39 0.00 0.00 64.86 63.93 1j3i h ILE 532 Cb 0.10 -0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 33.74 1j3i h ILE 532 CO 0.02 0.25 0.02 0.00 -0.69 0.00 0.00 178.15 177.76 1j3i h ALA 533 N 1.37 0.22 -0.09 1.87 0.00 -0.89 -2.88 119.26 118.85 1j3i h ALA 533 Ca 0.34 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.09 1j3i h ALA 533 Cb -0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1j3i h ALA 533 CO -0.07 -0.11 -0.01 0.37 0.00 0.00 0.00 179.25 179.44 1j3i h GLN 534 N 0.06 0.02 0.00 0.00 4.15 -0.73 -0.05 115.11 118.56 1j3i h GLN 534 Ca 0.05 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1j3i h GLN 534 Cb 0.32 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 1j3i h GLN 534 CO 0.00 0.01 0.00 1.33 -1.93 0.00 0.00 178.83 178.25 1j3i n VAL 535 N -5.12 0.59 -0.16 2.39 0.24 -0.78 -1.60 118.33 113.89 1j3i n VAL 535 Ca -0.05 0.15 0.05 0.00 -2.04 0.00 0.00 64.34 62.44 1j3i n VAL 535 Cb 0.07 -0.93 0.13 0.00 -1.47 0.00 0.00 33.84 31.64 1j3i n VAL 535 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j3i n ASN 537 N 0.31 -5.68 -4.49 0.00 3.02 -0.63 -4.90 115.26 102.90 1j3i n ASN 537 Ca 0.10 -0.62 -0.24 0.00 -0.03 0.00 0.00 54.58 53.79 1j3i n ASN 537 Cb 0.40 -4.66 -0.10 0.00 -0.61 0.00 0.00 39.78 34.81 1j3i n ASN 537 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1j3i s LEU 538 N -7.27 2.60 -0.12 3.41 1.43 -0.13 -5.01 118.68 113.60 1j3i s LEU 538 Ca 0.59 -1.22 -0.05 0.00 -1.03 0.00 0.00 54.13 52.42 1j3i s LEU 538 Cb -0.27 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.12 1j3i s LEU 538 CO 0.76 -0.31 0.07 -1.10 0.23 0.00 0.00 176.35 176.00 1j3i s GLN 539 N -3.69 3.33 0.35 1.70 -1.52 -0.45 -4.01 119.66 115.37 1j3i s GLN 539 Ca 0.32 -0.29 -0.28 0.00 -1.95 0.00 0.00 55.36 53.16 1j3i s GLN 539 Cb 0.04 -3.02 -0.10 0.00 -0.22 0.00 0.00 33.01 29.72 1j3i s GLN 539 CO 0.14 0.66 1.26 -1.25 -0.25 0.00 0.00 175.29 175.86 1j3i s PRO 540 N -0.73 4.28 0.00 2.91 0.04 -1.26 -0.80 135.00 139.44 1j3i s PRO 540 Ca 0.12 2.10 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1j3i s PRO 540 Cb -0.12 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1j3i s PRO 540 CO 0.03 -0.21 0.00 0.00 0.04 0.00 0.00 177.00 176.86 1j3i n ALA 541 N 0.63 0.00 -2.81 8.56 0.00 0.17 -3.80 120.51 123.26 1j3i n ALA 541 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.10 1j3i n ALA 541 Cb 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.81 1j3i n ALA 541 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1j3i s GLN 542 N 1.12 3.22 -0.25 0.00 -0.21 -1.25 0.28 119.66 122.57 1j3i s GLN 542 Ca 0.00 -0.32 -0.06 0.00 0.02 0.00 0.00 55.36 55.00 1j3i s GLN 542 Cb 0.00 -2.99 -0.01 0.00 1.00 0.00 0.00 33.01 31.01 1j3i s GLN 542 CO 0.00 0.71 0.02 0.12 -2.12 0.00 0.00 175.29 174.03 1j3i s PHE 543 N -1.08 3.05 -0.19 0.91 5.36 -0.47 -0.85 117.98 124.70 1j3i s PHE 543 Ca 0.18 -0.77 -0.03 0.00 -0.96 0.00 0.00 56.93 55.35 1j3i s PHE 543 Cb -0.12 -2.18 -0.01 0.00 -0.34 0.00 0.00 43.02 40.36 1j3i s PHE 543 CO 0.08 -0.49 -0.06 0.42 -1.46 0.00 0.00 175.22 173.71 1j3i s ILE 544 N 1.53 3.37 -0.29 3.12 1.01 0.26 -1.39 121.20 128.81 1j3i s ILE 544 Ca 0.05 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.13 1j3i s ILE 544 Cb -0.15 -2.51 0.01 0.00 0.01 0.00 0.00 42.46 39.82 1j3i s ILE 544 CO 0.00 0.45 0.07 -2.28 0.00 0.00 0.00 174.94 173.19 1j3i s HIS 545 N 1.11 3.13 -0.22 3.97 2.46 0.57 -0.81 115.29 125.51 1j3i s HIS 545 Ca 0.01 -0.98 -0.08 0.00 0.47 0.00 0.00 55.06 54.49 1j3i s HIS 545 Cb -0.15 -2.24 -0.04 0.00 -0.13 0.00 0.00 32.58 30.03 1j3i s HIS 545 CO -0.01 -0.57 0.08 0.08 -2.47 0.00 0.00 174.74 171.85 1j3i s VAL 546 N 1.50 4.62 -0.21 0.89 1.01 -0.09 -0.67 120.40 127.45 1j3i s VAL 546 Ca 0.03 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.87 1j3i s VAL 546 Cb -0.17 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 1j3i s VAL 546 CO 0.02 0.39 0.03 -0.76 0.00 0.00 0.00 175.10 174.78 1j3i s LEU 547 N 1.01 3.44 0.00 3.92 1.43 0.52 -0.11 118.68 128.89 1j3i s LEU 547 Ca 0.04 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 1j3i s LEU 547 Cb -0.14 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1j3i s LEU 547 CO 0.03 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.28 1j3i n GLY 548 N 4.25 1.35 3.52 -3.19 0.00 0.77 -1.37 105.19 110.52 1j3i n GLY 548 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1j3i n GLY 548 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j3i s ASN 549 N -1.00 6.24 -0.28 1.61 3.84 -0.69 -1.19 114.94 123.47 1j3i s ASN 549 Ca 0.00 -0.51 -0.11 0.00 0.21 0.00 0.00 52.86 52.45 1j3i s ASN 549 Cb 0.00 -2.50 -0.05 0.00 -0.55 0.00 0.00 41.25 38.15 1j3i s ASN 549 CO 0.00 -1.56 0.19 0.00 -2.79 0.00 0.00 177.10 172.94 1j3i s ALA 550 N 4.82 3.53 0.07 1.71 0.00 -0.51 0.04 121.76 131.42 1j3i s ALA 550 Ca 0.32 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 51.21 1j3i s ALA 550 Cb -0.11 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 1j3i s ALA 550 CO 0.16 -0.54 -0.06 -3.38 0.00 0.00 0.00 175.76 171.93 1j3i s HIS 551 N 1.75 0.75 -0.18 0.00 -3.43 -0.20 -1.12 115.29 112.85 1j3i s HIS 551 Ca 0.07 -0.77 0.01 0.00 -0.80 0.00 0.00 55.06 53.57 1j3i s HIS 551 Cb -0.16 -0.45 0.02 0.00 -1.43 0.00 0.00 32.58 30.56 1j3i s HIS 551 CO 0.11 -0.15 -0.19 0.08 -2.00 0.00 0.00 174.74 172.59 1j3i s VAL 552 N -2.77 2.16 0.36 -5.38 1.01 -0.24 -1.03 120.40 114.51 1j3i s VAL 552 Ca 0.02 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 1j3i s VAL 552 Cb -0.01 -1.91 -0.09 0.00 0.00 0.00 0.00 36.38 34.38 1j3i s VAL 552 CO -0.03 0.53 1.12 -0.31 0.00 0.00 0.00 175.10 176.41 1j3i s TYR 553 N 1.27 3.28 0.26 5.22 2.02 -1.26 -1.47 117.35 126.67 1j3i s TYR 553 Ca 0.04 1.62 -0.03 0.00 -0.37 0.00 0.00 57.07 58.33 1j3i s TYR 553 Cb -0.13 -3.30 0.37 0.00 -0.40 0.00 0.00 41.96 38.50 1j3i s TYR 553 CO -0.12 -0.92 1.88 -0.91 -1.57 0.00 0.00 175.55 173.92 1j3i h ASN 554 N 2.99 1.02 0.00 2.29 2.35 -1.69 0.02 115.58 122.56 1j3i h ASN 554 Ca -0.48 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 1j3i h ASN 554 Cb 1.22 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.38 1j3i h ASN 554 CO 0.64 0.67 0.00 -0.46 -1.65 0.00 0.00 177.43 176.63 1j3i n ASN 555 N -4.50 0.00 -0.00 5.81 6.94 -1.26 -2.48 115.26 119.76 1j3i n ASN 555 Ca 0.14 -0.64 0.06 0.00 -0.02 0.00 0.00 54.58 54.12 1j3i n ASN 555 Cb 0.16 0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.49 1j3i n ASN 555 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1j3i n HIS 556 N -0.85 0.00 -0.21 -2.53 8.25 -0.02 -4.55 115.22 115.32 1j3i n HIS 556 Ca 0.08 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.53 1j3i n HIS 556 Cb 0.04 -0.17 0.06 0.00 1.12 0.00 0.00 29.99 31.03 1j3i n HIS 556 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1j3i h ILE 557 N 0.00 0.35 -0.52 1.59 2.04 -1.41 -1.32 117.51 118.24 1j3i h ILE 557 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 1j3i h ILE 557 Cb 0.46 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1j3i h ILE 557 CO 0.00 0.00 0.04 0.44 0.00 0.00 0.00 178.15 178.63 1j3i h ASP 558 N -0.02 0.82 -0.05 1.72 3.32 -1.85 -1.25 116.42 119.10 1j3i h ASP 558 Ca 0.29 -0.19 -0.15 0.00 0.02 0.00 0.00 57.03 57.01 1j3i h ASP 558 Cb 0.47 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1j3i h ASP 558 CO -0.65 0.86 -0.46 0.28 -1.72 0.00 0.00 179.24 177.55 1j3i h SER 559 N 0.80 0.65 0.64 6.45 0.02 -1.74 -2.76 113.55 117.62 1j3i h SER 559 Ca 0.16 -0.31 -0.10 0.00 -0.84 0.00 0.00 61.79 60.70 1j3i h SER 559 Cb 0.42 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1j3i h SER 559 CO 0.01 1.01 -0.48 -0.07 -1.14 0.00 0.00 176.83 176.17 1j3i h LEU 560 N 0.48 0.00 -0.63 5.07 3.38 -0.98 -1.02 115.31 121.62 1j3i h LEU 560 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1j3i h LEU 560 Cb 0.99 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1j3i h LEU 560 CO 0.09 0.48 -0.13 0.11 0.09 0.00 0.00 178.44 179.08 1j3i h LYS 561 N 0.00 0.94 -0.05 1.13 1.57 -1.09 -1.16 116.57 117.92 1j3i h LYS 561 Ca -0.00 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1j3i h LYS 561 Cb 0.93 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.18 1j3i h LYS 561 CO 0.06 1.01 0.00 0.82 -0.57 0.00 0.00 179.45 180.78 1j3i h ILE 562 N 0.84 1.23 -1.01 1.86 2.04 -1.17 -3.21 117.51 118.09 1j3i h ILE 562 Ca 0.13 -0.71 0.06 0.00 1.00 0.00 0.00 64.86 65.34 1j3i h ILE 562 Cb 0.68 1.61 -0.07 0.00 -0.74 0.00 0.00 36.82 38.30 1j3i h ILE 562 CO 0.05 0.19 0.65 -0.61 0.00 0.00 0.00 178.15 178.43 1j3i h GLN 563 N -0.18 1.16 0.00 2.37 4.15 -0.96 -2.53 115.11 119.12 1j3i h GLN 563 Ca 0.02 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1j3i h GLN 563 Cb 0.30 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1j3i h GLN 563 CO 0.00 0.76 0.00 1.28 -1.93 0.00 0.00 178.83 178.95 1j3i n LEU 564 N -4.50 0.55 -1.25 -2.39 4.32 -0.46 -1.80 117.00 111.48 1j3i n LEU 564 Ca 0.15 0.68 0.11 0.00 -0.02 0.00 0.00 56.01 56.93 1j3i n LEU 564 Cb 0.18 -0.65 0.28 0.00 -1.62 0.00 0.00 43.42 41.61 1j3i n LEU 564 CO 0.32 -0.66 0.74 0.59 -1.22 0.00 0.00 177.39 177.16 1j3i n ASN 565 N -2.16 3.74 -4.87 -1.43 3.02 -0.95 -4.10 115.26 108.52 1j3i n ASN 565 Ca 0.01 -1.99 -0.36 0.00 -0.03 0.00 0.00 54.58 52.20 1j3i n ASN 565 Cb 0.15 -0.40 -0.06 0.00 -0.61 0.00 0.00 39.78 38.86 1j3i n ASN 565 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1j3i s ARG 566 N -1.14 3.60 -0.15 3.52 0.52 -0.74 -4.68 118.95 119.88 1j3i s ARG 566 Ca 0.44 0.02 -0.13 0.00 -0.52 0.00 0.00 55.73 55.54 1j3i s ARG 566 Cb 0.24 -3.16 -0.05 0.00 0.52 0.00 0.00 34.95 32.51 1j3i s ARG 566 CO 0.32 0.71 0.26 0.42 0.02 0.00 0.00 175.30 177.03 1j3i s ILE 567 N -1.14 5.32 0.79 1.52 1.01 -1.26 -4.98 121.20 122.45 1j3i s ILE 567 Ca 0.22 0.49 -0.13 0.00 0.00 0.00 0.00 60.65 61.23 1j3i s ILE 567 Cb -0.14 -3.59 0.07 0.00 0.01 0.00 0.00 42.46 38.82 1j3i s ILE 567 CO 0.11 0.43 1.17 -2.84 0.00 0.00 0.00 174.94 173.80 1j3i s PRO 568 N 0.21 1.82 0.28 2.79 0.02 -1.26 -4.89 135.00 133.97 1j3i s PRO 568 Ca 0.16 1.59 0.08 0.00 0.02 0.00 0.00 61.00 62.84 1j3i s PRO 568 Cb -0.13 -1.81 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1j3i s PRO 568 CO 0.04 -2.04 0.15 0.71 -0.33 0.00 0.00 177.00 175.53 1j3i s TYR 569 N -2.35 2.92 0.37 6.54 2.02 -1.26 -5.06 117.35 120.53 1j3i s TYR 569 Ca 0.70 -0.20 -0.28 0.00 -0.37 0.00 0.00 57.07 56.91 1j3i s TYR 569 Cb -0.25 -1.43 -0.11 0.00 -0.40 0.00 0.00 41.96 39.77 1j3i s TYR 569 CO 0.51 0.47 1.46 -1.25 -1.57 0.00 0.00 175.55 175.17 1j3i s PRO 570 N -3.82 4.13 1.00 -1.71 0.04 -1.26 -4.89 135.00 128.49 1j3i s PRO 570 Ca 0.34 2.53 -0.11 0.00 0.04 0.00 0.00 61.00 63.80 1j3i s PRO 570 Cb -0.07 -2.98 0.20 0.00 0.04 0.00 0.00 34.50 31.69 1j3i s PRO 570 CO 0.24 -0.49 1.11 -0.06 0.04 0.00 0.00 177.00 177.83 1j3i s PHE 571 N -1.13 1.48 0.42 0.56 0.08 -1.26 -4.58 117.98 113.55 1j3i s PHE 571 Ca 0.52 1.62 0.00 0.00 0.12 0.00 0.00 56.93 59.19 1j3i s PHE 571 Cb -0.46 -3.27 0.08 0.00 -0.57 0.00 0.00 43.02 38.81 1j3i s PHE 571 CO 0.62 -3.21 0.57 -0.35 -0.10 0.00 0.00 175.22 172.75 1j3i n PRO 572 N -4.50 0.22 -4.38 0.24 -0.04 -1.26 -4.87 135.00 120.42 1j3i n PRO 572 Ca 0.09 -1.57 -0.20 0.00 -0.04 0.00 0.00 63.50 61.78 1j3i n PRO 572 Cb 0.53 -0.37 -0.10 0.00 -0.04 0.00 0.00 33.50 33.51 1j3i n PRO 572 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1j3i s THR 573 N -1.65 1.90 -0.16 0.52 -4.23 -0.67 -1.69 115.64 109.66 1j3i s THR 573 Ca 0.38 -2.25 -0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1j3i s THR 573 Cb -0.02 -2.12 -0.00 0.00 1.34 0.00 0.00 72.50 71.70 1j3i s THR 573 CO 0.25 -0.54 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.43 1j3i s LEU 574 N -3.36 2.55 -0.12 4.79 2.96 -1.26 -0.97 118.68 123.27 1j3i s LEU 574 Ca 0.24 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1j3i s LEU 574 Cb -0.02 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 1j3i s LEU 574 CO 0.09 0.08 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.49 1j3i s LYS 575 N 0.85 3.25 0.05 1.98 -0.14 0.90 -4.98 119.74 121.65 1j3i s LYS 575 Ca -0.04 -0.75 0.05 0.00 -1.36 0.00 0.00 55.97 53.87 1j3i s LYS 575 Cb -0.15 -2.52 -0.04 0.00 -1.68 0.00 0.00 37.83 33.45 1j3i s LYS 575 CO -0.00 0.21 -0.10 -0.51 -0.76 0.00 0.00 175.35 174.19 1j3i s LEU 576 N 0.32 3.01 -0.08 3.17 1.43 -1.26 -0.72 118.68 124.56 1j3i s LEU 576 Ca -0.13 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 1j3i s LEU 576 Cb -0.16 -1.77 -0.08 0.00 0.03 0.00 0.00 46.19 44.20 1j3i s LEU 576 CO 0.07 0.24 2.07 -3.20 0.23 0.00 0.00 176.35 175.75 1j3i n ASN 577 N 1.22 3.72 0.18 2.29 2.85 -0.60 -4.82 115.26 120.09 1j3i n ASN 577 Ca -0.15 0.64 0.13 0.00 -0.11 0.00 0.00 54.58 55.09 1j3i n ASN 577 Cb 0.52 -1.52 0.62 0.00 1.24 0.00 0.00 39.78 40.65 1j3i n ASN 577 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1j3i h PRO 578 N 12.14 0.00 0.00 1.20 0.13 -1.96 -2.97 132.00 140.53 1j3i h PRO 578 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 1j3i h PRO 578 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1j3i h PRO 578 CO 0.95 0.00 -0.24 -0.44 -0.23 0.00 0.00 178.00 178.04 1j3i h ASP 579 N 0.00 0.00 -2.64 1.44 3.32 -2.01 -3.44 116.42 113.09 1j3i h ASP 579 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 1j3i h ASP 579 Cb 0.15 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1j3i h ASP 579 CO 0.00 0.24 1.11 -0.63 -1.72 0.00 0.00 179.24 178.24 1j3i s ILE 580 N -3.26 3.61 -0.75 0.35 -1.09 -1.13 -4.85 121.20 114.08 1j3i s ILE 580 Ca 0.04 0.72 0.07 0.00 -2.23 0.00 0.00 60.65 59.24 1j3i s ILE 580 Cb 0.08 -3.53 0.03 0.00 -1.58 0.00 0.00 42.46 37.46 1j3i s ILE 580 CO 0.68 -0.13 0.63 0.29 -1.23 0.00 0.00 174.94 175.18 1j3i n LYS 581 N 7.35 0.91 -4.51 2.79 4.76 -1.26 -4.62 118.16 123.59 1j3i n LYS 581 Ca 0.18 -0.73 -0.23 0.00 -2.87 0.00 0.00 58.31 54.66 1j3i n LYS 581 Cb 0.44 -1.06 -0.16 0.00 -1.84 0.00 0.00 35.03 32.40 1j3i n LYS 581 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1j3i s ASN 582 N -0.76 1.56 0.52 4.39 0.01 -1.26 -4.64 114.94 114.75 1j3i s ASN 582 Ca 0.07 -0.25 0.37 0.00 -0.71 0.00 0.00 52.86 52.33 1j3i s ASN 582 Cb 0.05 -0.63 1.52 0.00 0.41 0.00 0.00 41.25 42.60 1j3i s ASN 582 CO 0.12 0.04 1.73 -0.29 -1.51 0.00 0.00 177.10 177.18 1j3i h ILE 583 N 5.79 0.30 0.00 0.60 6.09 -1.92 0.68 117.51 129.06 1j3i h ILE 583 Ca -0.33 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.14 1j3i h ILE 583 Cb 1.18 0.23 0.00 0.00 0.47 0.00 0.00 36.82 38.70 1j3i h ILE 583 CO 0.48 0.01 -0.24 -0.62 -3.07 0.00 0.00 178.15 174.71 1j3i n GLU 584 N -4.25 0.02 -0.07 2.19 1.02 -1.26 -4.06 120.64 114.23 1j3i n GLU 584 Ca 0.31 0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.57 1j3i n GLU 584 Cb 1.40 -1.52 0.40 0.00 -0.02 0.00 0.00 31.44 31.70 1j3i n GLU 584 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1j3i n ASP 585 N -1.55 1.52 -4.78 1.62 8.00 0.23 -4.92 116.55 116.68 1j3i n ASP 585 Ca 0.06 -1.67 -0.37 0.00 0.71 0.00 0.00 54.79 53.52 1j3i n ASP 585 Cb 0.34 -0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.30 1j3i n ASP 585 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j3i s PHE 586 N -1.82 3.56 0.20 1.24 0.08 -1.26 -5.00 117.98 114.98 1j3i s PHE 586 Ca 0.32 1.74 0.05 0.00 0.12 0.00 0.00 56.93 59.16 1j3i s PHE 586 Cb 0.17 -3.03 -0.05 0.00 -0.57 0.00 0.00 43.02 39.55 1j3i s PHE 586 CO 0.26 -0.12 -0.08 0.95 -0.10 0.00 0.00 175.22 176.13 1j3i s THR 587 N -1.57 1.34 0.57 0.64 -4.23 -1.26 -5.03 115.64 106.10 1j3i s THR 587 Ca 0.52 -2.10 0.27 0.00 -1.18 0.00 0.00 61.69 59.20 1j3i s THR 587 Cb -0.21 -2.10 0.36 0.00 1.34 0.00 0.00 72.50 71.89 1j3i s THR 587 CO 0.27 -0.54 2.05 -0.29 -0.54 0.00 0.00 174.62 175.57 1j3i h ILE 588 N 2.58 0.54 -0.00 2.99 6.09 -1.96 -0.36 117.51 127.38 1j3i h ILE 588 Ca -0.38 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.11 1j3i h ILE 588 Cb 1.21 0.80 0.00 0.00 0.47 0.00 0.00 36.82 39.30 1j3i h ILE 588 CO 0.64 0.00 -0.01 -1.54 -3.07 0.00 0.00 178.15 174.17 1j3i n SER 589 N -3.94 0.04 -0.35 2.19 3.41 -1.26 -3.18 113.62 110.52 1j3i n SER 589 Ca 0.04 -0.18 0.10 0.00 -0.26 0.00 0.00 58.87 58.57 1j3i n SER 589 Cb 0.41 -0.26 0.44 0.00 -0.26 0.00 0.00 64.21 64.54 1j3i n SER 589 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1j3i n ASP 590 N -1.26 1.06 -4.27 4.04 8.00 -0.15 -4.83 116.55 119.14 1j3i n ASP 590 Ca 0.14 -1.60 -0.32 0.00 0.71 0.00 0.00 54.79 53.73 1j3i n ASP 590 Cb 0.24 -0.06 -0.16 0.00 -0.02 0.00 0.00 41.12 41.12 1j3i n ASP 590 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j3i s PHE 591 N -1.87 2.49 -0.03 1.24 0.40 -1.19 -1.56 117.98 117.46 1j3i s PHE 591 Ca 0.31 -0.79 -0.00 0.00 -0.60 0.00 0.00 56.93 55.85 1j3i s PHE 591 Cb 0.16 -1.64 0.03 0.00 0.51 0.00 0.00 43.02 42.08 1j3i s PHE 591 CO 0.25 -0.26 0.02 0.99 0.70 0.00 0.00 175.22 176.92 1j3i s THR 592 N -0.03 0.04 -0.28 0.64 2.01 0.10 -5.00 115.64 113.13 1j3i s THR 592 Ca -0.07 0.19 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 1j3i s THR 592 Cb -0.15 -0.17 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 1j3i s THR 592 CO 0.05 0.13 0.17 -0.63 -0.69 0.00 0.00 174.62 173.65 1j3i s ILE 593 N 1.20 5.16 0.03 1.82 -1.09 -1.26 -0.07 121.20 126.99 1j3i s ILE 593 Ca -0.07 0.11 0.04 0.00 -2.23 0.00 0.00 60.65 58.50 1j3i s ILE 593 Cb -0.13 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1j3i s ILE 593 CO -0.03 0.26 -0.07 -1.10 -1.23 0.00 0.00 174.94 172.77 1j3i s GLN 594 N 1.74 2.44 -1.37 2.79 -0.21 -0.14 -4.70 119.66 120.20 1j3i s GLN 594 Ca 0.07 -0.81 -0.08 0.00 0.02 0.00 0.00 55.36 54.56 1j3i s GLN 594 Cb -0.16 -2.45 0.03 0.00 1.00 0.00 0.00 33.01 31.43 1j3i s GLN 594 CO 0.10 0.57 1.06 0.09 -2.12 0.00 0.00 175.29 174.99 1j3i n ASN 595 N 1.29 -4.75 -4.61 5.90 3.02 -1.26 -1.67 115.26 113.18 1j3i n ASN 595 Ca -0.15 -0.64 -0.43 0.00 -0.03 0.00 0.00 54.58 53.34 1j3i n ASN 595 Cb 0.52 -4.68 -0.03 0.00 -0.61 0.00 0.00 39.78 34.99 1j3i n ASN 595 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1j3i s TYR 596 N -3.36 2.98 -0.16 3.10 5.04 -1.26 -4.16 117.35 119.53 1j3i s TYR 596 Ca 0.45 0.84 -0.02 0.00 -2.44 0.00 0.00 57.07 55.91 1j3i s TYR 596 Cb -0.21 -4.01 -0.01 0.00 0.35 0.00 0.00 41.96 38.08 1j3i s TYR 596 CO 0.76 -1.01 -0.10 0.08 -1.34 0.00 0.00 175.55 173.94 1j3i s VAL 597 N 3.95 3.22 0.18 3.14 1.01 -1.26 -5.06 120.40 125.58 1j3i s VAL 597 Ca 0.44 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 1j3i s VAL 597 Cb -0.10 -2.39 0.00 0.00 0.00 0.00 0.00 36.38 33.89 1j3i s VAL 597 CO 0.24 0.49 0.36 -1.38 0.00 0.00 0.00 175.10 174.81 1j3i s HIS 598 N 0.69 0.27 0.88 5.22 -3.43 -1.26 -4.70 115.29 112.97 1j3i s HIS 598 Ca -0.05 -0.63 -0.13 0.00 -0.80 0.00 0.00 55.06 53.45 1j3i s HIS 598 Cb -0.15 0.07 0.13 0.00 -1.43 0.00 0.00 32.58 31.20 1j3i s HIS 598 CO 0.02 -0.79 1.22 -1.01 -2.00 0.00 0.00 174.74 172.18 1j3i s HIS 599 N -3.95 2.41 0.63 0.38 3.76 -0.08 -4.96 115.29 113.48 1j3i s HIS 599 Ca 0.16 0.62 -0.16 0.00 -0.15 0.00 0.00 55.06 55.53 1j3i s HIS 599 Cb 0.02 -3.68 -0.01 0.00 1.11 0.00 0.00 32.58 30.01 1j3i s HIS 599 CO 0.00 -2.18 1.10 -1.83 -0.85 0.00 0.00 174.74 170.98 1j3i s GLU 600 N -5.64 2.96 0.24 1.40 -1.05 -1.26 -3.31 118.70 112.04 1j3i s GLU 600 Ca 0.66 1.37 -0.31 0.00 -0.15 0.00 0.00 54.97 56.54 1j3i s GLU 600 Cb -0.09 -1.97 -0.14 0.00 -0.44 0.00 0.00 34.13 31.49 1j3i s GLU 600 CO 0.51 -1.12 1.34 1.17 0.95 0.00 0.00 175.26 178.11 1j3i n LYS 601 N -2.23 1.85 -4.65 -4.83 4.81 -1.26 -3.73 118.16 108.11 1j3i n LYS 601 Ca 0.10 0.66 -0.33 0.00 -0.87 0.00 0.00 58.31 57.87 1j3i n LYS 601 Cb 0.52 -2.27 -0.14 0.00 0.02 0.00 0.00 35.03 33.16 1j3i n LYS 601 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1j3i s ILE 602 N -0.21 3.07 0.01 3.15 1.01 -1.26 -4.86 121.20 122.11 1j3i s ILE 602 Ca 0.68 -0.65 -0.28 0.00 0.00 0.00 0.00 60.65 60.40 1j3i s ILE 602 Cb -0.68 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1j3i s ILE 602 CO 0.51 0.51 0.90 -0.44 0.00 0.00 0.00 174.94 176.43 1j3i s SER 603 N 0.50 7.31 -0.87 3.58 0.01 -1.26 -4.94 113.70 118.03 1j3i s SER 603 Ca -0.08 1.57 -0.05 0.00 1.31 0.00 0.00 55.95 58.70 1j3i s SER 603 Cb -0.16 -2.53 0.22 0.00 0.21 0.00 0.00 66.02 63.76 1j3i s SER 603 CO 0.04 -0.17 0.77 -0.04 0.41 0.00 0.00 173.24 174.25 1j3i s MET 604 N 0.70 3.34 0.51 12.44 1.00 -1.26 -4.90 119.30 131.14 1j3i s MET 604 Ca 0.47 -3.03 -0.06 0.00 0.00 0.00 0.00 55.69 53.07 1j3i s MET 604 Cb -0.21 -4.07 -0.02 0.00 0.00 0.00 0.00 34.83 30.53 1j3i s MET 604 CO 0.26 -1.25 0.82 0.16 0.00 0.00 0.00 175.02 175.02 1j3i s ASP 605 N 0.54 6.08 -0.11 3.03 1.47 -1.26 -5.02 116.67 121.40 1j3i s ASP 605 Ca 0.25 0.89 -0.04 0.00 1.18 0.00 0.00 52.55 54.82 1j3i s ASP 605 Cb -0.11 -2.11 -0.26 0.00 -0.34 0.00 0.00 42.92 40.11 1j3i s ASP 605 CO -0.09 -0.72 0.41 0.80 0.68 0.00 0.00 175.17 176.25 1j3i n MET 606 N -2.36 0.75 -0.09 2.11 0.00 -1.26 -4.54 117.12 111.72 1j3i n MET 606 Ca 0.02 0.27 -0.19 0.00 -0.00 0.00 0.00 57.70 57.79 1j3i n MET 606 Cb 0.56 -1.72 -0.06 0.00 0.00 0.00 0.00 33.22 31.99 1j3i n MET 606 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1j3i n ALA 607 N -2.94 1.72 0.00 -5.12 0.00 -1.26 -4.87 120.51 108.04 1j3i n ALA 607 Ca -0.30 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.39 1j3i n ALA 607 Cb 1.05 0.23 0.00 0.00 0.00 0.00 0.00 19.45 20.73 1j3i n ALA 607 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50