#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j3k n ASP 284 N 0.00 0.00 -0.19 -2.24 5.75 -1.26 -3.53 116.55 115.08 1j3k n ASP 284 Ca 0.00 -0.25 -0.05 0.00 -0.01 0.00 0.00 54.79 54.48 1j3k n ASP 284 Cb 0.00 -0.10 -0.05 0.00 -1.03 0.00 0.00 41.12 39.94 1j3k n ASP 284 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1j3k h GLU 285 N 0.00 -0.01 0.00 0.11 4.39 -2.07 1.17 114.58 118.18 1j3k h GLU 285 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1j3k h GLU 285 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1j3k h GLU 285 CO 0.00 -0.01 0.00 0.39 -1.16 0.00 0.00 179.01 178.23 1j3k n GLU 286 N -4.02 0.14 0.13 2.33 4.71 -1.23 -2.22 120.64 120.47 1j3k n GLU 286 Ca 0.01 0.00 -0.24 0.00 -0.01 0.00 0.00 57.16 56.92 1j3k n GLU 286 Cb 0.12 -1.29 -0.16 0.00 -1.01 0.00 0.00 31.44 29.11 1j3k n GLU 286 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 1j3k h GLU 287 N 0.00 0.49 -0.31 3.49 5.08 0.12 -2.90 114.58 120.56 1j3k h GLU 287 Ca 0.00 -0.84 -0.11 0.00 -1.00 0.00 0.00 59.36 57.41 1j3k h GLU 287 Cb 0.00 0.31 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1j3k h GLU 287 CO 0.00 1.40 -0.27 -0.44 -1.00 0.00 0.00 179.01 178.70 1j3k h ASP 288 N 0.03 0.64 -1.01 1.42 5.19 -1.47 -2.56 116.42 118.67 1j3k h ASP 288 Ca -0.23 -0.24 0.07 0.00 -0.62 0.00 0.00 57.03 56.01 1j3k h ASP 288 Cb 2.05 -0.18 -0.07 0.00 0.18 0.00 0.00 39.33 41.32 1j3k h ASP 288 CO 0.25 0.89 0.65 0.44 -3.12 0.00 0.00 179.24 178.35 1j3k h ASP 289 N 0.54 1.04 -0.87 6.45 3.32 -1.63 0.10 116.42 125.37 1j3k h ASP 289 Ca 0.07 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1j3k h ASP 289 Cb 0.75 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 1j3k h ASP 289 CO 0.06 0.66 0.47 0.15 -1.72 0.00 0.00 179.24 178.85 1j3k h PHE 290 N 1.17 1.21 -0.53 4.55 3.57 -1.25 -2.23 116.94 123.43 1j3k h PHE 290 Ca 0.44 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.84 1j3k h PHE 290 Cb 0.19 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 1j3k h PHE 290 CO -0.00 0.84 0.08 0.28 -2.23 0.00 0.00 178.31 177.28 1j3k h VAL 291 N 1.23 1.25 -0.22 1.41 2.07 -0.65 -3.12 116.25 118.21 1j3k h VAL 291 Ca 0.31 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.90 1j3k h VAL 291 Cb 0.04 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1j3k h VAL 291 CO -0.05 0.35 -0.04 1.88 0.02 0.00 0.00 177.57 179.73 1j3k h TYR 292 N 0.77 -0.09 0.00 1.57 0.05 -0.57 -0.83 116.97 117.87 1j3k h TYR 292 Ca 0.16 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.96 1j3k h TYR 292 Cb 0.42 0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.23 1j3k h TYR 292 CO 0.03 -0.08 0.10 1.19 -1.05 0.00 0.00 178.16 178.34 1j3k n PHE 293 N -5.20 0.66 -0.43 4.88 3.72 -0.91 -0.71 117.46 119.47 1j3k n PHE 293 Ca -0.02 0.34 0.11 0.00 -0.05 0.00 0.00 57.45 57.84 1j3k n PHE 293 Cb 0.13 -0.98 0.33 0.00 -0.94 0.00 0.00 39.48 38.02 1j3k n PHE 293 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1j3k n ASN 294 N -2.21 4.14 0.07 4.37 3.02 -0.32 -4.55 115.26 119.78 1j3k n ASN 294 Ca -0.01 -2.11 0.19 0.00 -0.03 0.00 0.00 54.58 52.62 1j3k n ASN 294 Cb 0.13 -0.51 0.73 0.00 -0.61 0.00 0.00 39.78 39.51 1j3k n ASN 294 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1j3k h PHE 295 N 4.19 0.00 -0.78 3.10 -0.00 -0.91 -1.77 116.94 120.78 1j3k h PHE 295 Ca 0.00 0.00 -0.24 0.00 -0.00 0.00 0.00 57.97 57.73 1j3k h PHE 295 Cb 1.10 0.00 -0.15 0.00 -0.00 0.00 0.00 35.95 36.90 1j3k h PHE 295 CO 0.55 0.00 0.31 -1.71 -0.00 0.00 0.00 178.31 177.46 1j3k n ASN 296 N -4.15 4.81 -4.80 -0.68 5.15 -1.26 -4.99 115.26 109.33 1j3k n ASN 296 Ca 0.07 -3.25 -0.32 0.00 -0.60 0.00 0.00 54.58 50.48 1j3k n ASN 296 Cb 0.53 -0.76 0.04 0.00 -0.53 0.00 0.00 39.78 39.06 1j3k n ASN 296 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1j3k s LYS 297 N -3.02 3.03 0.21 1.20 -0.14 -0.67 -5.00 119.74 115.36 1j3k s LYS 297 Ca 0.56 1.11 -0.30 0.00 -1.36 0.00 0.00 55.97 55.98 1j3k s LYS 297 Cb 0.45 -2.00 -0.08 0.00 -1.68 0.00 0.00 37.83 34.52 1j3k s LYS 297 CO 0.14 -1.03 1.03 -2.00 -0.76 0.00 0.00 175.35 172.72 1j3k s GLU 298 N -4.56 4.70 -1.07 1.68 2.56 -1.26 -4.96 118.70 115.79 1j3k s GLU 298 Ca 0.61 1.62 -0.22 0.00 0.00 0.00 0.00 54.97 56.99 1j3k s GLU 298 Cb -0.15 -3.27 0.06 0.00 2.00 0.00 0.00 34.13 32.76 1j3k s GLU 298 CO 0.46 0.27 1.49 0.21 -0.56 0.00 0.00 175.26 177.13 1j3k s LYS 299 N -0.80 3.66 0.00 4.30 2.20 -1.26 -4.82 119.74 123.03 1j3k s LYS 299 Ca 0.45 -1.31 0.03 0.00 -0.36 0.00 0.00 55.97 54.79 1j3k s LYS 299 Cb -0.28 -5.37 0.15 0.00 -1.51 0.00 0.00 37.83 30.82 1j3k s LYS 299 CO 0.35 -2.20 0.94 -1.91 -0.36 0.00 0.00 175.35 172.17 1j3k n GLU 300 N 8.70 0.04 0.17 4.03 2.13 -1.26 -1.35 120.64 133.10 1j3k n GLU 300 Ca 0.36 0.29 0.08 0.00 0.66 0.00 0.00 57.16 58.54 1j3k n GLU 300 Cb 0.50 -1.50 0.43 0.00 0.27 0.00 0.00 31.44 31.14 1j3k n GLU 300 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1j3k n GLU 301 N -1.32 0.10 -2.98 5.31 -0.58 -1.26 -3.99 120.64 115.93 1j3k n GLU 301 Ca 0.01 0.59 -0.41 0.00 -0.42 0.00 0.00 57.16 56.94 1j3k n GLU 301 Cb 0.03 -2.06 -0.05 0.00 -0.57 0.00 0.00 31.44 28.79 1j3k n GLU 301 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 1j3k s LYS 302 N -3.39 4.30 0.06 3.49 2.20 -0.46 -5.04 119.74 120.91 1j3k s LYS 302 Ca -0.02 0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 56.18 1j3k s LYS 302 Cb 0.05 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 32.76 1j3k s LYS 302 CO 0.14 -0.24 1.04 0.54 -0.36 0.00 0.00 175.35 176.47 1j3k s ASN 303 N 1.11 7.33 0.02 1.43 4.22 -1.26 -5.05 114.94 122.74 1j3k s ASN 303 Ca 0.36 1.82 0.02 0.00 -2.14 0.00 0.00 52.86 52.92 1j3k s ASN 303 Cb -0.17 -2.58 -0.02 0.00 1.28 0.00 0.00 41.25 39.77 1j3k s ASN 303 CO 0.13 -0.25 -0.07 -0.54 -2.04 0.00 0.00 177.10 174.32 1j3k s LYS 304 N 0.59 0.52 -1.46 3.55 3.01 -1.26 -4.83 119.74 119.86 1j3k s LYS 304 Ca 0.52 -0.51 0.00 0.00 -1.01 0.00 0.00 55.97 54.97 1j3k s LYS 304 Cb -0.24 -0.41 0.00 0.00 -1.01 0.00 0.00 37.83 36.17 1j3k s LYS 304 CO 0.30 0.10 0.00 0.09 0.51 0.00 0.00 175.35 176.34 1j3k n ASN 305 N 2.16 -4.67 -3.90 2.83 3.02 -1.26 -3.72 115.26 109.72 1j3k n ASN 305 Ca -0.18 0.23 -0.30 0.00 -0.03 0.00 0.00 54.58 54.30 1j3k n ASN 305 Cb 0.56 -3.59 -0.00 0.00 -0.61 0.00 0.00 39.78 36.14 1j3k n ASN 305 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1j3k n SER 306 N -0.53 -2.18 -4.50 6.41 3.41 -1.26 -4.98 113.62 109.99 1j3k n SER 306 Ca -0.16 -1.06 -0.34 0.00 -0.26 0.00 0.00 58.87 57.06 1j3k n SER 306 Cb 0.54 -2.93 -0.12 0.00 -0.26 0.00 0.00 64.21 61.43 1j3k n SER 306 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1j3k s ILE 307 N -3.79 3.69 -0.15 -1.33 -1.09 -1.24 -5.11 121.20 112.18 1j3k s ILE 307 Ca 0.20 -0.44 -0.14 0.00 -2.23 0.00 0.00 60.65 58.04 1j3k s ILE 307 Cb -0.08 -2.58 -0.05 0.00 -1.58 0.00 0.00 42.46 38.17 1j3k s ILE 307 CO 0.90 0.53 0.31 -1.00 -1.23 0.00 0.00 174.94 174.44 1j3k s HIS 308 N 0.07 3.47 0.14 3.97 3.76 -1.26 -4.89 115.29 120.56 1j3k s HIS 308 Ca -0.02 0.63 -0.25 0.00 -0.15 0.00 0.00 55.06 55.27 1j3k s HIS 308 Cb -0.14 -2.35 -0.04 0.00 1.11 0.00 0.00 32.58 31.16 1j3k s HIS 308 CO 0.03 0.25 1.29 -2.30 -0.85 0.00 0.00 174.74 173.16 1j3k n PRO 309 N 3.52 -0.36 0.00 8.40 -0.02 -1.26 0.12 135.00 145.41 1j3k n PRO 309 Ca -0.12 1.27 0.03 0.00 -2.02 0.00 0.00 63.50 62.67 1j3k n PRO 309 Cb 0.52 -1.87 0.19 0.00 -0.02 0.00 0.00 33.50 32.32 1j3k n PRO 309 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1j3k n ASN 310 N -5.06 0.00 0.03 2.55 3.02 -1.26 -2.02 115.26 112.51 1j3k n ASN 310 Ca 0.02 -0.02 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 1j3k n ASN 310 Cb 0.23 -0.14 0.37 0.00 -0.61 0.00 0.00 39.78 39.63 1j3k n ASN 310 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1j3k h ASP 311 N 0.00 0.43 -0.68 6.41 3.32 0.57 -2.49 116.42 123.98 1j3k h ASP 311 Ca 0.00 -0.05 -0.49 0.00 0.02 0.00 0.00 57.03 56.51 1j3k h ASP 311 Cb 0.03 -0.11 -0.37 0.00 0.22 0.00 0.00 39.33 39.10 1j3k h ASP 311 CO 0.00 0.43 -0.64 0.49 -1.72 0.00 0.00 179.24 177.80 1j3k n PHE 312 N -4.37 2.46 0.13 4.55 3.72 -0.86 -4.86 117.46 118.24 1j3k n PHE 312 Ca 0.02 -2.19 -0.13 0.00 -0.05 0.00 0.00 57.45 55.09 1j3k n PHE 312 Cb 0.17 -0.42 -0.06 0.00 -0.94 0.00 0.00 39.48 38.23 1j3k n PHE 312 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1j3k h GLN 313 N 2.01 -0.50 -0.37 -1.08 4.15 -1.54 0.30 115.11 118.09 1j3k h GLN 313 Ca 0.35 0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.74 1j3k h GLN 313 Cb 1.44 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 29.23 1j3k h GLN 313 CO 0.74 -0.33 -0.02 0.82 -1.93 0.00 0.00 178.83 178.10 1j3k h ILE 314 N -0.52 1.26 -0.49 2.39 2.04 -1.89 -1.78 117.51 118.54 1j3k h ILE 314 Ca 0.02 -1.03 0.07 0.00 1.00 0.00 0.00 64.86 64.92 1j3k h ILE 314 Cb 0.53 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 1j3k h ILE 314 CO -0.15 0.34 0.16 0.22 0.00 0.00 0.00 178.15 178.72 1j3k h TYR 315 N 0.47 0.28 0.00 1.37 3.20 -1.70 -0.11 116.97 120.49 1j3k h TYR 315 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1j3k h TYR 315 Cb 0.50 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1j3k h TYR 315 CO 0.04 0.08 0.00 0.09 -1.64 0.00 0.00 178.16 176.74 1j3k n ASN 316 N -5.02 0.00 0.14 -2.11 3.02 0.08 -3.49 115.26 107.88 1j3k n ASN 316 Ca 0.05 -0.17 0.12 0.00 -0.03 0.00 0.00 54.58 54.55 1j3k n ASN 316 Cb 0.20 -0.26 0.15 0.00 -0.61 0.00 0.00 39.78 39.26 1j3k n ASN 316 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1j3k h SER 317 N 0.00 0.00 -3.95 6.41 4.64 -0.09 -3.46 113.55 117.10 1j3k h SER 317 Ca 0.00 -0.04 -0.48 0.00 -0.47 0.00 0.00 61.79 60.80 1j3k h SER 317 Cb 0.24 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1j3k h SER 317 CO 0.00 0.02 0.40 -0.76 -0.87 0.00 0.00 176.83 175.62 1j3k s LEU 318 N -5.38 4.16 -0.14 5.97 1.43 -1.20 -4.98 118.68 118.54 1j3k s LEU 318 Ca 0.05 2.01 -0.09 0.00 -1.03 0.00 0.00 54.13 55.08 1j3k s LEU 318 Cb 0.09 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.10 1j3k s LEU 318 CO 0.71 -0.44 -0.11 0.50 0.23 0.00 0.00 176.35 177.23 1j3k h LYS 319 N 2.57 0.00 -4.83 1.70 1.63 -1.92 -3.46 116.57 112.26 1j3k h LYS 319 Ca -0.48 0.00 -0.68 0.00 -0.85 0.00 0.00 60.65 58.64 1j3k h LYS 319 Cb 1.21 0.00 -0.28 0.00 -0.60 0.00 0.00 32.23 32.56 1j3k h LYS 319 CO 0.63 0.08 -0.66 0.71 -3.45 0.00 0.00 179.45 176.75 1j3k s TYR 320 N -2.14 3.13 -0.84 1.91 2.02 -1.26 -5.03 117.35 115.15 1j3k s TYR 320 Ca -0.13 -1.21 0.01 0.00 -0.37 0.00 0.00 57.07 55.36 1j3k s TYR 320 Cb 0.02 -2.19 0.21 0.00 -0.40 0.00 0.00 41.96 39.60 1j3k s TYR 320 CO 0.21 -0.64 0.73 1.63 -1.57 0.00 0.00 175.55 175.91 1j3k n LYS 321 N 4.79 2.48 0.00 -0.62 5.02 -1.26 -4.86 118.16 123.71 1j3k n LYS 321 Ca -0.15 -4.50 0.12 0.00 -2.02 0.00 0.00 58.31 51.75 1j3k n LYS 321 Cb 0.47 -2.37 0.17 0.00 -0.02 0.00 0.00 35.03 33.28 1j3k n LYS 321 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1j3k n TYR 322 N 2.05 0.00 -1.81 2.13 4.01 -1.26 -4.87 117.16 117.42 1j3k n TYR 322 Ca 0.22 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.55 1j3k n TYR 322 Cb 0.37 -0.11 -0.01 0.00 -0.31 0.00 0.00 39.34 39.28 1j3k n TYR 322 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1j3k s HIS 323 N -2.72 2.76 0.64 -0.72 2.46 -1.26 -4.88 115.29 111.57 1j3k s HIS 323 Ca 0.17 0.85 0.35 0.00 0.47 0.00 0.00 55.06 56.90 1j3k s HIS 323 Cb 0.18 -4.04 1.95 0.00 -0.13 0.00 0.00 32.58 30.54 1j3k s HIS 323 CO 0.64 -3.43 2.16 -1.35 -2.47 0.00 0.00 174.74 170.30 1j3k h PRO 324 N 4.65 0.00 0.00 2.88 0.11 -1.98 -1.68 132.00 135.99 1j3k h PRO 324 Ca -0.47 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 1j3k h PRO 324 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1j3k h PRO 324 CO 0.77 0.00 -0.05 1.49 -0.21 0.00 0.00 178.00 180.00 1j3k h GLU 325 N 0.00 0.00 0.00 1.05 4.81 -1.97 -1.63 114.58 116.84 1j3k h GLU 325 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1j3k h GLU 325 Cb 0.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1j3k h GLU 325 CO -0.00 0.05 0.00 1.88 -0.73 0.00 0.00 179.01 180.21 1j3k h TYR 326 N 0.00 0.00 -0.55 0.92 0.05 -1.63 -1.32 116.97 114.43 1j3k h TYR 326 Ca -0.00 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.72 1j3k h TYR 326 Cb 0.23 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 1j3k h TYR 326 CO 0.00 0.00 0.12 1.96 -1.05 0.00 0.00 178.16 179.19 1j3k h GLN 327 N 0.00 0.86 0.03 4.88 4.20 -1.49 0.49 115.11 124.07 1j3k h GLN 327 Ca 0.00 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 1j3k h GLN 327 Cb 0.31 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1j3k h GLN 327 CO 0.00 0.78 -0.01 -0.92 -0.67 0.00 0.00 178.83 178.01 1j3k h TYR 328 N 0.83 -0.04 -0.74 2.96 3.20 -1.48 -3.19 116.97 118.51 1j3k h TYR 328 Ca 0.18 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.05 1j3k h TYR 328 Cb 0.32 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.57 1j3k h TYR 328 CO 0.02 0.67 0.49 -0.07 -1.64 0.00 0.00 178.16 177.62 1j3k h LEU 329 N -0.85 0.86 -1.20 2.82 3.38 -1.13 -2.25 115.31 116.94 1j3k h LEU 329 Ca -0.00 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1j3k h LEU 329 Cb 0.72 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1j3k h LEU 329 CO 0.01 0.62 -0.39 0.78 0.09 0.00 0.00 178.44 179.55 1j3k h ASN 330 N 1.01 0.02 -0.34 -0.43 2.35 -0.14 -1.39 115.58 116.66 1j3k h ASN 330 Ca 0.27 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.86 1j3k h ASN 330 Cb -0.11 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.25 1j3k h ASN 330 CO -0.06 0.41 -0.39 0.40 -1.65 0.00 0.00 177.43 176.14 1j3k h ILE 331 N 0.02 1.28 -0.25 2.81 2.04 -1.39 -0.26 117.51 121.76 1j3k h ILE 331 Ca -0.00 -1.56 -0.01 0.00 1.00 0.00 0.00 64.86 64.28 1j3k h ILE 331 Cb 0.70 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 38.25 1j3k h ILE 331 CO 0.05 0.52 0.11 0.40 0.00 0.00 0.00 178.15 179.23 1j3k h ILE 332 N 0.66 1.15 -0.72 -0.67 2.04 -1.16 -1.03 117.51 117.78 1j3k h ILE 332 Ca 0.05 -0.43 0.02 0.00 1.00 0.00 0.00 64.86 65.50 1j3k h ILE 332 Cb 0.98 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.00 1j3k h ILE 332 CO 0.09 0.15 0.47 0.22 0.00 0.00 0.00 178.15 179.08 1j3k h TYR 333 N 0.26 0.88 -0.64 1.37 3.20 -1.18 -0.04 116.97 120.81 1j3k h TYR 333 Ca 0.08 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 1j3k h TYR 333 Cb 0.13 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 1j3k h TYR 333 CO -0.02 0.53 0.39 0.22 -1.64 0.00 0.00 178.16 177.64 1j3k h ASP 334 N 0.93 0.77 -0.35 -2.11 3.58 -0.67 0.78 116.42 119.36 1j3k h ASP 334 Ca 0.28 -0.06 -0.07 0.00 0.42 0.00 0.00 57.03 57.60 1j3k h ASP 334 Cb -0.05 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.79 1j3k h ASP 334 CO -0.08 0.60 -0.04 0.40 -2.88 0.00 0.00 179.24 177.24 1j3k h ILE 335 N 0.87 1.27 -0.73 2.25 2.04 -0.71 0.27 117.51 122.78 1j3k h ILE 335 Ca 0.23 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.02 1j3k h ILE 335 Cb -0.03 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1j3k h ILE 335 CO -0.04 0.35 0.40 0.24 0.00 0.00 0.00 178.15 179.10 1j3k h MET 336 N 0.44 1.02 0.18 2.37 2.86 -0.70 1.45 114.93 122.55 1j3k h MET 336 Ca 0.09 -0.12 -0.31 0.00 -2.06 0.00 0.00 59.70 57.31 1j3k h MET 336 Cb 0.52 -0.20 0.02 0.00 0.06 0.00 0.00 31.60 32.00 1j3k h MET 336 CO 0.03 0.75 -1.35 0.52 1.06 0.00 0.00 176.91 177.92 1j3k h MET 337 N 1.00 0.44 0.00 1.72 2.86 -0.77 -3.40 114.93 116.78 1j3k h MET 337 Ca 0.26 -0.72 0.00 0.00 -2.06 0.00 0.00 59.70 57.18 1j3k h MET 337 Cb 0.03 0.26 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1j3k h MET 337 CO -0.04 1.34 0.00 0.09 1.06 0.00 0.00 176.91 179.36 1j3k n ASN 338 N -3.65 1.36 -4.52 1.22 3.02 0.96 -4.75 115.26 108.89 1j3k n ASN 338 Ca -0.13 -1.40 -0.30 0.00 -0.03 0.00 0.00 54.58 52.72 1j3k n ASN 338 Cb 1.05 0.00 0.21 0.00 -0.61 0.00 0.00 39.78 40.43 1j3k n ASN 338 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j3k n GLY 339 N -0.20 -1.46 3.66 7.41 0.00 0.49 -4.95 105.19 110.14 1j3k n GLY 339 Ca 0.00 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 1j3k n GLY 339 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j3k s ASN 340 N -2.40 5.70 -0.06 1.61 0.01 0.06 -4.79 114.94 115.07 1j3k s ASN 340 Ca 0.66 0.12 -0.30 0.00 -0.71 0.00 0.00 52.86 52.63 1j3k s ASN 340 Cb -0.23 -1.95 -0.03 0.00 0.41 0.00 0.00 41.25 39.45 1j3k s ASN 340 CO 0.63 0.20 1.11 -0.54 -1.51 0.00 0.00 177.10 176.99 1j3k s LYS 341 N 0.20 4.41 0.10 -0.60 1.02 -1.26 -1.36 119.74 122.24 1j3k s LYS 341 Ca 0.05 1.55 -0.09 0.00 0.02 0.00 0.00 55.97 57.50 1j3k s LYS 341 Cb -0.12 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 1j3k s LYS 341 CO 0.00 -0.34 0.22 -0.65 -0.92 0.00 0.00 175.35 173.66 1j3k s GLN 342 N 1.91 0.90 0.66 1.68 -0.21 -0.27 -5.00 119.66 119.33 1j3k s GLN 342 Ca 0.53 -0.97 0.00 0.00 0.02 0.00 0.00 55.36 54.95 1j3k s GLN 342 Cb -0.22 0.36 0.10 0.00 1.00 0.00 0.00 33.01 34.24 1j3k s GLN 342 CO 0.22 -0.30 0.92 -1.54 -2.12 0.00 0.00 175.29 172.47 1j3k s SER 343 N -2.87 4.67 0.30 5.90 1.04 -1.26 -0.69 113.70 120.79 1j3k s SER 343 Ca 0.06 -0.28 -0.15 0.00 0.48 0.00 0.00 55.95 56.07 1j3k s SER 343 Cb 0.04 -0.27 0.02 0.00 0.10 0.00 0.00 66.02 65.91 1j3k s SER 343 CO -0.10 -1.61 0.62 1.51 0.98 0.00 0.00 173.24 174.64 1j3k s ASP 344 N -4.64 0.00 0.36 7.02 -4.77 -1.26 -4.76 116.67 108.62 1j3k s ASP 344 Ca 0.63 -0.94 0.15 0.00 -3.30 0.00 0.00 52.55 49.09 1j3k s ASP 344 Cb -0.07 0.70 1.05 0.00 -1.09 0.00 0.00 42.92 43.51 1j3k s ASP 344 CO 0.42 -1.34 1.72 -0.09 0.70 0.00 0.00 175.17 176.58 1j3k h ARG 345 N 2.10 0.41 0.00 2.11 2.43 -2.02 -1.60 114.38 117.81 1j3k h ARG 345 Ca -0.25 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.84 1j3k h ARG 345 Cb 1.25 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 1j3k h ARG 345 CO 0.33 0.27 -0.25 1.79 -1.51 0.00 0.00 179.97 180.60 1j3k h THR 346 N 0.42 0.53 0.00 0.20 1.35 -2.00 -3.48 112.91 109.93 1j3k h THR 346 Ca 0.66 -1.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 1j3k h THR 346 Cb 1.53 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 1j3k h THR 346 CO -0.43 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 175.69 1j3k n GLY 347 N 0.52 2.19 0.22 5.82 0.00 -0.60 -4.89 105.19 108.45 1j3k n GLY 347 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.99 1j3k n GLY 347 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1j3k h VAL 348 N 0.00 1.29 0.00 1.61 2.07 -1.92 -3.47 116.25 115.83 1j3k h VAL 348 Ca 0.00 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1j3k h VAL 348 Cb 0.00 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1j3k h VAL 348 CO 0.00 0.44 0.00 0.61 0.02 0.00 0.00 177.57 178.64 1j3k n GLY 349 N -0.21 -0.33 3.60 2.17 0.00 -1.26 -4.55 105.19 104.61 1j3k n GLY 349 Ca -0.01 -1.61 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 1j3k n GLY 349 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1j3k s VAL 350 N -3.02 0.00 -0.13 1.61 -7.23 0.13 -1.65 120.40 110.12 1j3k s VAL 350 Ca 0.00 -1.38 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 1j3k s VAL 350 Cb 0.00 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.30 1j3k s VAL 350 CO 0.00 0.00 -0.21 -0.76 -0.31 0.00 0.00 175.10 173.82 1j3k s LEU 351 N -3.15 2.20 0.05 1.32 1.43 -0.57 -1.12 118.68 118.84 1j3k s LEU 351 Ca 0.25 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1j3k s LEU 351 Cb -0.02 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.70 1j3k s LEU 351 CO 0.16 0.11 -0.01 -0.94 0.23 0.00 0.00 176.35 175.90 1j3k s SER 352 N 0.65 0.42 0.17 2.29 1.04 -0.47 -0.34 113.70 117.48 1j3k s SER 352 Ca -0.10 -0.89 -0.03 0.00 0.48 0.00 0.00 55.95 55.40 1j3k s SER 352 Cb -0.16 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 1j3k s SER 352 CO 0.02 -0.56 0.16 -0.54 0.98 0.00 0.00 173.24 173.29 1j3k s LYS 353 N -3.54 1.13 -0.13 4.02 -0.14 -0.50 -0.76 119.74 119.81 1j3k s LYS 353 Ca 0.03 -1.46 -0.00 0.00 -1.36 0.00 0.00 55.97 53.18 1j3k s LYS 353 Cb 0.05 0.29 0.03 0.00 -1.68 0.00 0.00 37.83 36.52 1j3k s LYS 353 CO -0.09 -0.37 -0.09 0.12 -0.76 0.00 0.00 175.35 174.16 1j3k s PHE 354 N -4.08 1.76 0.00 3.18 5.36 -1.26 -1.71 117.98 121.23 1j3k s PHE 354 Ca 0.29 -0.97 0.00 0.00 -0.96 0.00 0.00 56.93 55.29 1j3k s PHE 354 Cb 0.06 -1.37 0.00 0.00 -0.34 0.00 0.00 43.02 41.37 1j3k s PHE 354 CO 0.06 -0.59 0.00 0.41 -1.46 0.00 0.00 175.22 173.65 1j3k n GLY 355 N 4.87 -1.48 3.14 13.12 0.00 -0.79 -5.02 105.19 119.03 1j3k n GLY 355 Ca -0.14 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.21 1j3k n GLY 355 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j3k s TYR 356 N 0.00 0.33 -0.01 1.61 2.02 -0.76 -4.98 117.35 115.55 1j3k s TYR 356 Ca 0.00 -0.81 0.00 0.00 -0.37 0.00 0.00 57.07 55.89 1j3k s TYR 356 Cb 0.00 -0.22 0.01 0.00 -0.40 0.00 0.00 41.96 41.35 1j3k s TYR 356 CO 0.00 -0.46 -0.00 -1.50 -1.57 0.00 0.00 175.55 172.02 1j3k s ILE 357 N -3.82 0.09 0.09 2.71 2.07 -1.26 -0.39 121.20 120.69 1j3k s ILE 357 Ca 0.05 0.01 0.07 0.00 -1.41 0.00 0.00 60.65 59.37 1j3k s ILE 357 Cb 0.06 -0.12 -0.03 0.00 0.13 0.00 0.00 42.46 42.49 1j3k s ILE 357 CO -0.10 0.06 -0.18 -0.04 -1.91 0.00 0.00 174.94 172.76 1j3k s MET 358 N 0.30 1.00 -0.03 3.50 -1.94 0.01 -4.98 119.30 117.16 1j3k s MET 358 Ca -0.03 -1.07 0.01 0.00 -1.71 0.00 0.00 55.69 52.89 1j3k s MET 358 Cb -0.05 -1.15 0.02 0.00 2.01 0.00 0.00 34.83 35.66 1j3k s MET 358 CO -0.01 0.26 -0.02 0.15 -0.01 0.00 0.00 175.02 175.40 1j3k s LYS 359 N -1.83 0.47 -0.09 2.03 1.02 -1.26 -0.70 119.74 119.38 1j3k s LYS 359 Ca 0.03 -0.02 0.04 0.00 0.02 0.00 0.00 55.97 56.04 1j3k s LYS 359 Cb -0.10 -0.56 0.00 0.00 -0.52 0.00 0.00 37.83 36.65 1j3k s LYS 359 CO 0.03 -0.08 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.11 1j3k s PHE 360 N 0.80 2.27 -0.89 3.18 0.08 -0.29 -4.98 117.98 118.15 1j3k s PHE 360 Ca -0.09 -0.88 -0.21 0.00 0.12 0.00 0.00 56.93 55.87 1j3k s PHE 360 Cb -0.12 -1.53 0.10 0.00 -0.57 0.00 0.00 43.02 40.89 1j3k s PHE 360 CO -0.01 -0.36 1.17 0.34 -0.10 0.00 0.00 175.22 176.26 1j3k s ASP 361 N 0.35 6.49 0.63 1.36 -1.08 -1.26 -1.35 116.67 121.81 1j3k s ASP 361 Ca -0.16 -1.65 0.39 0.00 -0.52 0.00 0.00 52.55 50.61 1j3k s ASP 361 Cb -0.17 -2.45 2.14 0.00 -1.46 0.00 0.00 42.92 40.99 1j3k s ASP 361 CO 0.07 -1.26 2.30 -0.07 0.52 0.00 0.00 175.17 176.73 1j3k h LEU 362 N 11.21 0.00 -0.44 -1.34 3.38 -1.04 -0.70 115.31 126.38 1j3k h LEU 362 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1j3k h LEU 362 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1j3k h LEU 362 CO 1.20 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 178.20 1j3k n SER 363 N -3.35 0.67 -0.00 -0.43 3.41 -1.23 -3.69 113.62 108.99 1j3k n SER 363 Ca -0.03 0.63 0.06 0.00 -0.26 0.00 0.00 58.87 59.27 1j3k n SER 363 Cb 0.10 -0.78 -0.08 0.00 -0.26 0.00 0.00 64.21 63.18 1j3k n SER 363 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j3k n GLN 364 N -2.19 1.25 -3.67 4.33 1.13 -0.29 -5.08 117.38 112.85 1j3k n GLN 364 Ca 0.03 -0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.02 1j3k n GLN 364 Cb 0.29 -1.20 -0.01 0.00 0.11 0.00 0.00 30.24 29.43 1j3k n GLN 364 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 1j3k s TYR 365 N -2.58 -0.05 -0.28 1.08 -0.85 -1.09 -5.05 117.35 108.51 1j3k s TYR 365 Ca -0.02 -0.10 -0.04 0.00 -0.52 0.00 0.00 57.07 56.40 1j3k s TYR 365 Cb 0.08 0.57 0.03 0.00 0.38 0.00 0.00 41.96 43.02 1j3k s TYR 365 CO 0.48 -0.41 0.01 0.12 -1.52 0.00 0.00 175.55 174.23 1j3k s PHE 366 N -2.59 3.15 -0.34 -3.49 5.36 -0.73 -4.17 117.98 115.16 1j3k s PHE 366 Ca 0.15 -1.45 -0.03 0.00 -0.96 0.00 0.00 56.93 54.64 1j3k s PHE 366 Cb 0.03 -2.15 -0.07 0.00 -0.34 0.00 0.00 43.02 40.49 1j3k s PHE 366 CO -0.02 -0.70 1.80 -0.35 -1.46 0.00 0.00 175.22 174.49 1j3k n PRO 367 N 4.73 1.19 -3.07 10.12 -0.04 -1.26 -3.95 135.00 142.73 1j3k n PRO 367 Ca -0.15 -0.82 -0.42 0.00 -0.04 0.00 0.00 63.50 62.08 1j3k n PRO 367 Cb 0.46 -2.03 -0.06 0.00 -0.04 0.00 0.00 33.50 31.83 1j3k n PRO 367 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1j3k s LEU 368 N 0.04 4.22 0.26 1.53 2.96 -1.26 -4.62 118.68 121.81 1j3k s LEU 368 Ca 0.28 0.21 -0.28 0.00 -0.22 0.00 0.00 54.13 54.13 1j3k s LEU 368 Cb 0.10 -2.86 -0.15 0.00 0.50 0.00 0.00 46.19 43.78 1j3k s LEU 368 CO -0.01 -0.63 0.74 0.18 -1.32 0.00 0.00 176.35 175.31 1j3k n LEU 369 N 6.14 0.23 -0.11 -0.68 4.77 -1.26 -4.79 117.00 121.31 1j3k n LEU 369 Ca 0.00 1.13 0.05 0.00 -0.03 0.00 0.00 56.01 57.16 1j3k n LEU 369 Cb 0.48 -1.12 -0.03 0.00 -2.33 0.00 0.00 43.42 40.43 1j3k n LEU 369 CO 0.50 -2.26 0.09 0.35 -1.33 0.00 0.00 177.39 174.74 1j3k n THR 370 N 0.03 0.00 1.58 -5.08 -2.24 -1.26 -4.55 114.28 102.76 1j3k n THR 370 Ca 0.14 -0.34 0.02 0.00 -2.27 0.00 0.00 64.05 61.59 1j3k n THR 370 Cb 0.29 1.05 0.05 0.00 -2.10 0.00 0.00 70.33 69.62 1j3k n THR 370 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j3k n THR 371 N -0.76 0.16 -3.57 4.28 -2.24 -1.26 -1.24 114.28 109.64 1j3k n THR 371 Ca 0.03 -0.14 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 1j3k n THR 371 Cb 0.17 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 1j3k n THR 371 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1j3k s LYS 372 N -1.80 0.51 0.09 -0.78 -2.85 -1.26 -4.74 119.74 108.91 1j3k s LYS 372 Ca 0.07 -0.06 -0.28 0.00 -1.00 0.00 0.00 55.97 54.70 1j3k s LYS 372 Cb 0.04 0.24 -0.06 0.00 -2.06 0.00 0.00 37.83 35.99 1j3k s LYS 372 CO 0.04 -0.20 0.89 0.21 0.10 0.00 0.00 175.35 176.40 1j3k s LYS 373 N -2.01 4.63 -0.01 1.78 2.20 -1.21 -4.61 119.74 120.51 1j3k s LYS 373 Ca 0.04 1.31 0.04 0.00 -0.36 0.00 0.00 55.97 57.01 1j3k s LYS 373 Cb -0.01 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 32.93 1j3k s LYS 373 CO -0.04 0.25 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.55 1j3k s LEU 374 N -0.07 2.01 -0.01 5.43 1.43 -1.26 -4.80 118.68 121.41 1j3k s LEU 374 Ca 0.44 -0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1j3k s LEU 374 Cb -0.22 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1j3k s LEU 374 CO 0.27 0.17 0.01 -0.36 0.23 0.00 0.00 176.35 176.67 1j3k s PHE 375 N -0.29 3.11 -0.24 0.29 0.08 -1.26 -5.06 117.98 114.61 1j3k s PHE 375 Ca 0.05 0.10 0.06 0.00 0.12 0.00 0.00 56.93 57.26 1j3k s PHE 375 Cb -0.06 -1.69 -0.07 0.00 -0.57 0.00 0.00 43.02 40.63 1j3k s PHE 375 CO -0.00 0.47 0.24 1.28 -0.10 0.00 0.00 175.22 177.11 1j3k n LEU 376 N 1.42 0.24 -0.20 -0.37 4.77 -1.26 -4.74 117.00 116.86 1j3k n LEU 376 Ca -0.15 -0.41 0.01 0.00 -0.03 0.00 0.00 56.01 55.43 1j3k n LEU 376 Cb 0.53 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.72 1j3k n LEU 376 CO 0.34 0.06 0.92 -0.09 -1.33 0.00 0.00 177.39 177.29 1j3k h ARG 377 N 0.00 0.25 -0.37 3.23 2.43 -2.00 -1.28 114.38 116.66 1j3k h ARG 377 Ca 0.00 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1j3k h ARG 377 Cb 0.17 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 1j3k h ARG 377 CO 0.00 0.17 0.21 0.78 -1.51 0.00 0.00 179.97 179.62 1j3k h GLY 378 N 0.26 0.54 2.00 2.80 0.00 -1.96 -1.84 103.07 104.88 1j3k h GLY 378 Ca 0.31 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.33 1j3k h GLY 378 CO -0.40 0.23 -0.38 0.16 0.00 0.00 0.00 176.54 176.14 1j3k h ILE 379 N 0.48 0.98 -0.28 2.60 3.07 -1.75 -1.33 117.51 121.28 1j3k h ILE 379 Ca 0.13 -1.48 -0.18 0.00 1.55 0.00 0.00 64.86 64.89 1j3k h ILE 379 Cb 0.03 1.87 -0.00 0.00 -0.27 0.00 0.00 36.82 38.45 1j3k h ILE 379 CO -0.02 0.38 -0.52 0.40 -1.05 0.00 0.00 178.15 177.33 1j3k h ILE 380 N 0.00 1.28 -0.54 0.16 2.04 -0.96 -1.89 117.51 117.60 1j3k h ILE 380 Ca -0.00 -1.72 -0.09 0.00 1.00 0.00 0.00 64.86 64.05 1j3k h ILE 380 Cb 0.84 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1j3k h ILE 380 CO 0.05 0.56 -0.02 -0.33 0.00 0.00 0.00 178.15 178.41 1j3k h GLU 381 N 0.62 0.93 -0.78 2.37 4.39 -1.06 -0.70 114.58 120.35 1j3k h GLU 381 Ca 0.02 -0.28 0.01 0.00 0.34 0.00 0.00 59.36 59.45 1j3k h GLU 381 Cb 1.11 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.63 1j3k h GLU 381 CO 0.11 0.93 0.52 1.49 -1.16 0.00 0.00 179.01 180.91 1j3k h GLU 382 N 0.85 1.02 -0.66 2.33 4.81 -1.09 0.21 114.58 122.05 1j3k h GLU 382 Ca 0.15 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 1j3k h GLU 382 Cb 0.53 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1j3k h GLU 382 CO 0.03 0.68 0.11 1.25 -0.73 0.00 0.00 179.01 180.34 1j3k h LEU 383 N 1.06 1.05 -0.83 1.64 5.85 -0.82 0.38 115.31 123.63 1j3k h LEU 383 Ca 0.29 -0.26 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 1j3k h LEU 383 Cb -0.11 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.63 1j3k h LEU 383 CO -0.07 1.04 -0.40 -0.07 -0.34 0.00 0.00 178.44 178.60 1j3k h LEU 384 N 1.01 0.39 -0.47 2.25 3.38 -0.58 -1.60 115.31 119.70 1j3k h LEU 384 Ca 0.20 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1j3k h LEU 384 Cb 0.44 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1j3k h LEU 384 CO 0.01 0.76 -0.17 -0.25 0.09 0.00 0.00 178.44 178.88 1j3k h TRP 385 N 0.31 1.07 -0.15 1.13 7.01 -0.54 -2.11 115.95 122.67 1j3k h TRP 385 Ca 0.03 -0.25 -0.00 0.00 2.11 0.00 0.00 58.89 60.78 1j3k h TRP 385 Cb 0.85 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.65 1j3k h TRP 385 CO 0.02 1.05 0.09 0.74 -2.79 0.00 0.00 178.44 177.54 1j3k h PHE 386 N 0.78 0.20 -0.36 2.65 0.04 -0.65 -2.60 116.94 116.99 1j3k h PHE 386 Ca 0.11 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.89 1j3k h PHE 386 Cb 0.73 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 38.80 1j3k h PHE 386 CO 0.05 0.20 0.24 0.82 -0.60 0.00 0.00 178.31 179.02 1j3k h ILE 387 N 0.15 1.07 0.00 -0.55 2.04 -1.15 0.10 117.51 119.18 1j3k h ILE 387 Ca 0.05 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1j3k h ILE 387 Cb 0.06 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1j3k h ILE 387 CO -0.01 0.08 0.00 0.54 0.00 0.00 0.00 178.15 178.76 1j3k n ARG 388 N -4.48 0.03 -1.01 2.37 1.74 -0.81 -4.87 116.66 109.62 1j3k n ARG 388 Ca 0.03 0.12 -0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1j3k n ARG 388 Cb 0.09 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1j3k n ARG 388 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j3k n GLY 389 N 0.71 0.47 3.79 -0.13 0.00 0.36 -5.03 105.19 105.35 1j3k n GLY 389 Ca 0.06 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 1j3k n GLY 389 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j3k s GLU 390 N -1.10 3.26 0.00 1.61 2.02 -1.04 -3.69 118.70 119.77 1j3k s GLU 390 Ca 0.00 1.32 0.00 0.00 0.02 0.00 0.00 54.97 56.31 1j3k s GLU 390 Cb 0.00 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.21 1j3k s GLU 390 CO 0.00 -0.87 0.47 0.25 0.02 0.00 0.00 175.26 175.13 1j3k n THR 391 N -1.89 0.21 -2.87 3.63 -2.24 -1.26 -4.34 114.28 105.52 1j3k n THR 391 Ca 0.10 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 1j3k n THR 391 Cb 0.52 1.16 -0.04 0.00 -2.10 0.00 0.00 70.33 69.87 1j3k n THR 391 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1j3k s ASN 392 N -0.21 6.35 0.61 3.42 3.84 -1.26 -2.56 114.94 125.13 1j3k s ASN 392 Ca 0.00 -0.34 0.37 0.00 0.21 0.00 0.00 52.86 53.11 1j3k s ASN 392 Cb 0.00 -2.42 1.97 0.00 -0.55 0.00 0.00 41.25 40.24 1j3k s ASN 392 CO 0.00 -1.17 2.23 1.23 -2.79 0.00 0.00 177.10 176.60 1j3k h GLY 393 N 10.80 0.00 1.91 1.21 0.00 -0.81 -2.69 103.07 113.49 1j3k h GLY 393 Ca -0.26 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.00 1j3k h GLY 393 CO 1.07 0.00 -0.27 3.43 0.00 0.00 0.00 176.54 180.77 1j3k h ASN 394 N 0.00 0.10 -0.85 0.19 -0.26 -1.92 -2.29 115.58 110.55 1j3k h ASN 394 Ca -0.00 -0.03 0.01 0.00 -0.56 0.00 0.00 56.30 55.72 1j3k h ASN 394 Cb 0.16 -0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.35 1j3k h ASN 394 CO 0.00 0.38 0.56 0.74 -1.06 0.00 0.00 177.43 178.06 1j3k h THR 395 N 0.10 1.21 0.00 2.81 2.02 -1.87 -0.18 112.91 116.99 1j3k h THR 395 Ca 0.01 -0.39 -0.12 0.00 0.77 0.00 0.00 66.41 66.69 1j3k h THR 395 Cb 0.53 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1j3k h THR 395 CO 0.04 0.21 -0.46 -0.07 0.37 0.00 0.00 175.52 175.61 1j3k h LEU 396 N 1.14 0.40 -1.48 2.58 3.38 -1.64 -3.27 115.31 116.41 1j3k h LEU 396 Ca 0.32 -0.78 0.06 0.00 0.09 0.00 0.00 57.88 57.57 1j3k h LEU 396 Cb -0.11 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1j3k h LEU 396 CO -0.07 1.12 0.42 -0.07 0.09 0.00 0.00 178.44 179.93 1j3k h LEU 397 N -0.29 0.56 -0.33 1.67 3.38 -1.09 -0.16 115.31 119.06 1j3k h LEU 397 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1j3k h LEU 397 Cb 1.20 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1j3k h LEU 397 CO 0.09 0.37 0.00 0.59 0.09 0.00 0.00 178.44 179.58 1j3k n ASN 398 N -4.48 0.30 -0.80 -0.43 3.02 -0.11 -1.32 115.26 111.44 1j3k n ASN 398 Ca 0.09 0.58 0.07 0.00 -0.03 0.00 0.00 54.58 55.28 1j3k n ASN 398 Cb 0.23 -0.64 0.20 0.00 -0.61 0.00 0.00 39.78 38.96 1j3k n ASN 398 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1j3k n LYS 399 N -1.83 2.94 -2.78 3.52 5.02 -0.17 -4.97 118.16 119.89 1j3k n LYS 399 Ca 0.03 -2.30 -0.20 0.00 -2.02 0.00 0.00 58.31 53.82 1j3k n LYS 399 Cb 0.19 -1.44 0.02 0.00 -0.02 0.00 0.00 35.03 33.78 1j3k n LYS 399 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1j3k n ASN 400 N 0.44 -5.68 -4.31 4.39 3.02 -0.43 -4.98 115.26 107.71 1j3k n ASN 400 Ca 0.15 -0.19 -0.37 0.00 -0.03 0.00 0.00 54.58 54.14 1j3k n ASN 400 Cb 0.56 -4.57 -0.13 0.00 -0.61 0.00 0.00 39.78 35.03 1j3k n ASN 400 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1j3k s VAL 401 N -3.08 3.86 -0.33 2.41 1.01 -0.62 -4.99 120.40 118.66 1j3k s VAL 401 Ca 0.20 -0.88 0.16 0.00 0.00 0.00 0.00 61.98 61.46 1j3k s VAL 401 Cb -0.09 -3.06 0.58 0.00 0.00 0.00 0.00 36.38 33.81 1j3k s VAL 401 CO 0.24 -0.02 1.49 0.54 0.00 0.00 0.00 175.10 177.36 1j3k n ARG 402 N 4.84 3.38 -0.30 2.72 1.74 -1.26 -3.38 116.66 124.39 1j3k n ARG 402 Ca -0.14 -2.84 0.10 0.00 -0.77 0.00 0.00 57.85 54.20 1j3k n ARG 402 Cb 0.47 -1.88 0.26 0.00 -1.02 0.00 0.00 32.46 30.29 1j3k n ARG 402 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1j3k h ILE 403 N 2.43 0.63 -0.47 0.55 2.04 -1.96 -1.81 117.51 118.93 1j3k h ILE 403 Ca 0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1j3k h ILE 403 Cb 1.49 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1j3k h ILE 403 CO 0.26 0.10 0.00 0.79 0.00 0.00 0.00 178.15 179.30 1j3k n TRP 404 N -4.92 0.61 -0.00 1.37 7.02 -1.26 -4.64 117.44 115.61 1j3k n TRP 404 Ca 0.19 -0.33 -0.09 0.00 -1.02 0.00 0.00 57.50 56.25 1j3k n TRP 404 Cb 0.53 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.38 1j3k n TRP 404 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 1j3k h GLU 405 N 4.15 -0.15 -0.26 -0.99 4.81 -1.64 -2.38 114.58 118.13 1j3k h GLU 405 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1j3k h GLU 405 Cb 0.95 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1j3k h GLU 405 CO 0.00 -0.10 0.09 0.00 -0.73 0.00 0.00 179.01 178.27 1j3k h ALA 406 N 0.92 1.67 0.00 2.92 0.00 -1.82 -2.27 119.26 120.68 1j3k h ALA 406 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1j3k h ALA 406 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1j3k h ALA 406 CO -0.21 0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.39 1j3k n ASN 407 N -4.41 0.65 -0.81 0.00 3.02 -0.91 -3.31 115.26 109.48 1j3k n ASN 407 Ca 0.01 0.64 0.07 0.00 -0.03 0.00 0.00 54.58 55.26 1j3k n ASN 407 Cb 0.14 -0.78 0.20 0.00 -0.61 0.00 0.00 39.78 38.73 1j3k n ASN 407 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j3k n GLY 408 N 0.29 3.07 3.82 7.41 0.00 -0.85 -4.59 105.19 114.34 1j3k n GLY 408 Ca 0.03 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 1j3k n GLY 408 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j3k s THR 409 N -1.52 4.19 0.21 2.61 -4.23 -1.21 -0.41 115.64 115.28 1j3k s THR 409 Ca 0.31 1.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.71 1j3k s THR 409 Cb 0.20 -3.56 0.19 0.00 1.34 0.00 0.00 72.50 70.67 1j3k s THR 409 CO 0.16 -0.64 1.66 -0.09 -0.54 0.00 0.00 174.62 175.16 1j3k h ARG 410 N 0.53 0.10 -0.62 3.99 9.65 -1.95 0.58 114.38 126.67 1j3k h ARG 410 Ca -0.46 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.38 1j3k h ARG 410 Cb 1.20 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.73 1j3k h ARG 410 CO 0.59 0.07 0.26 0.93 2.80 0.00 0.00 179.97 184.62 1j3k h GLU 411 N 0.11 0.91 -0.49 0.20 3.07 -1.96 -0.79 114.58 115.63 1j3k h GLU 411 Ca 0.31 -0.16 -0.06 0.00 -0.50 0.00 0.00 59.36 58.95 1j3k h GLU 411 Cb 0.49 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 1j3k h GLU 411 CO -0.52 0.77 0.08 0.35 -1.40 0.00 0.00 179.01 178.29 1j3k h PHE 412 N 0.86 0.86 -0.47 4.33 3.04 -1.55 -0.01 116.94 124.00 1j3k h PHE 412 Ca 0.21 -0.12 -0.12 0.00 3.98 0.00 0.00 57.97 61.92 1j3k h PHE 412 Cb 0.19 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 1j3k h PHE 412 CO 0.01 0.79 -0.16 -0.07 -2.02 0.00 0.00 178.31 176.86 1j3k h LEU 413 N 0.69 0.95 -0.89 0.59 3.38 -0.83 -2.44 115.31 116.77 1j3k h LEU 413 Ca 0.15 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 1j3k h LEU 413 Cb 0.39 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1j3k h LEU 413 CO 0.01 1.12 0.11 0.44 0.09 0.00 0.00 178.44 180.20 1j3k h ASP 414 N 0.78 0.88 -0.26 -0.43 3.32 -0.99 0.14 116.42 119.87 1j3k h ASP 414 Ca 0.11 -0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1j3k h ASP 414 Cb 0.72 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1j3k h ASP 414 CO 0.06 0.88 0.10 -1.13 -1.72 0.00 0.00 179.24 177.43 1j3k h ASN 415 N 0.88 0.41 -0.03 6.45 -1.24 -0.72 0.29 115.58 121.62 1j3k h ASN 415 Ca 0.18 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.15 1j3k h ASN 415 Cb 0.37 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.32 1j3k h ASN 415 CO 0.01 0.39 0.00 0.54 -1.29 0.00 0.00 177.43 177.08 1j3k n ARG 416 N -4.39 1.16 -2.06 6.67 5.12 -0.78 -4.88 116.66 117.51 1j3k n ARG 416 Ca 0.02 -0.24 -0.14 0.00 -1.93 0.00 0.00 57.85 55.56 1j3k n ARG 416 Cb 0.15 -1.37 -0.02 0.00 -1.16 0.00 0.00 32.46 30.06 1j3k n ARG 416 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1j3k n LYS 417 N -0.60 -1.11 -2.36 5.56 5.02 0.10 -4.92 118.16 119.86 1j3k n LYS 417 Ca 0.17 0.77 -0.40 0.00 -2.02 0.00 0.00 58.31 56.83 1j3k n LYS 417 Cb 0.14 -5.02 0.02 0.00 -0.02 0.00 0.00 35.03 30.14 1j3k n LYS 417 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1j3k n LEU 418 N -1.95 7.44 0.23 -0.35 4.77 0.43 -4.78 117.00 122.79 1j3k n LEU 418 Ca -0.16 -5.16 0.12 0.00 -0.03 0.00 0.00 56.01 50.78 1j3k n LEU 418 Cb 0.59 -1.16 0.73 0.00 -2.33 0.00 0.00 43.42 41.24 1j3k n LEU 418 CO 0.20 1.97 1.11 -0.26 -1.33 0.00 0.00 177.39 179.07 1j3k h PHE 419 N 3.89 0.00 -0.65 -1.77 0.04 -1.86 -2.53 116.94 114.06 1j3k h PHE 419 Ca 0.56 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 61.19 1j3k h PHE 419 Cb 0.26 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.33 1j3k h PHE 419 CO 1.33 0.00 0.16 0.72 -0.60 0.00 0.00 178.31 179.92 1j3k n HIS 420 N -4.29 2.24 -4.04 -0.55 8.25 -1.26 -4.92 115.22 110.65 1j3k n HIS 420 Ca -0.01 -1.04 -0.35 0.00 -0.26 0.00 0.00 57.72 56.07 1j3k n HIS 420 Cb 0.18 -0.61 -0.09 0.00 1.12 0.00 0.00 29.99 30.59 1j3k n HIS 420 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1j3k s ARG 421 N -2.92 3.79 0.48 -0.41 6.06 -0.95 -5.09 118.95 119.90 1j3k s ARG 421 Ca 0.54 -0.32 -0.22 0.00 -2.50 0.00 0.00 55.73 53.23 1j3k s ARG 421 Cb 0.43 -3.16 -0.07 0.00 0.06 0.00 0.00 34.95 32.21 1j3k s ARG 421 CO 0.14 0.39 1.14 -2.00 -2.50 0.00 0.00 175.30 172.47 1j3k s GLU 422 N 0.03 3.67 0.26 5.12 2.12 -1.26 -4.94 118.70 123.71 1j3k s GLU 422 Ca 0.06 1.69 -0.30 0.00 0.36 0.00 0.00 54.97 56.78 1j3k s GLU 422 Cb -0.12 -2.29 -0.14 0.00 0.26 0.00 0.00 34.13 31.85 1j3k s GLU 422 CO 0.01 -0.60 1.29 0.28 -0.54 0.00 0.00 175.26 175.69 1j3k n VAL 423 N -0.71 1.32 -0.95 3.70 0.31 -1.26 -1.17 118.33 119.57 1j3k n VAL 423 Ca 0.08 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.08 1j3k n VAL 423 Cb 0.49 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 1j3k n VAL 423 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1j3k n ASN 424 N 1.70 -3.45 -4.36 4.52 5.03 0.45 -4.94 115.26 114.21 1j3k n ASN 424 Ca 0.10 0.00 -0.46 0.00 0.87 0.00 0.00 54.58 55.10 1j3k n ASN 424 Cb 0.32 -1.74 -0.03 0.00 -1.02 0.00 0.00 39.78 37.30 1j3k n ASN 424 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1j3k s ASP 425 N -2.12 6.47 0.00 6.41 -1.08 -0.32 -0.02 116.67 126.02 1j3k s ASP 425 Ca 0.00 -2.05 0.13 0.00 -0.52 0.00 0.00 52.55 50.11 1j3k s ASP 425 Cb 0.00 -2.27 0.57 0.00 -1.46 0.00 0.00 42.92 39.76 1j3k s ASP 425 CO 0.00 -0.87 1.40 0.18 0.52 0.00 0.00 175.17 176.40 1j3k n LEU 426 N 5.36 0.00 0.00 -1.34 4.77 -1.06 -4.75 117.00 119.98 1j3k n LEU 426 Ca 0.04 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1j3k n LEU 426 Cb 0.45 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1j3k n LEU 426 CO 0.47 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1j3k n GLY 427 N -0.16 -2.07 2.55 -0.72 0.00 -1.26 -1.15 105.19 102.39 1j3k n GLY 427 Ca 0.04 -1.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 1j3k n GLY 427 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j3k n PRO 428 N -0.07 3.12 -0.25 1.61 -0.04 -1.26 -4.81 135.00 133.30 1j3k n PRO 428 Ca 0.00 -2.30 -0.01 0.00 -0.04 0.00 0.00 63.50 61.14 1j3k n PRO 428 Cb 0.00 -2.99 0.01 0.00 -0.04 0.00 0.00 33.50 30.47 1j3k n PRO 428 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 1j3k n ILE 429 N 4.40 0.00 -0.03 0.52 -5.35 -1.26 -4.55 119.36 113.10 1j3k n ILE 429 Ca 0.64 -0.05 -0.01 0.00 -0.27 0.00 0.00 62.75 63.06 1j3k n ILE 429 Cb 0.30 -1.81 -0.01 0.00 -1.74 0.00 0.00 39.64 36.38 1j3k n ILE 429 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1j3k n TYR 430 N -1.91 -0.03 -0.27 4.28 4.01 -1.26 -1.08 117.16 120.90 1j3k n TYR 430 Ca 0.01 0.07 0.05 0.00 -0.16 0.00 0.00 57.90 57.87 1j3k n TYR 430 Cb 0.02 -0.22 0.19 0.00 -0.31 0.00 0.00 39.34 39.02 1j3k n TYR 430 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1j3k h GLY 431 N 0.00 1.22 1.21 2.72 0.00 -1.76 0.10 103.07 106.56 1j3k h GLY 431 Ca 0.01 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1j3k h GLY 431 CO -0.06 -0.02 0.05 -2.75 0.00 0.00 0.00 176.54 173.77 1j3k h PHE 432 N 0.58 1.02 -0.08 5.60 3.57 -1.18 -2.22 116.94 124.23 1j3k h PHE 432 Ca 0.41 -0.15 -0.19 0.00 3.53 0.00 0.00 57.97 61.58 1j3k h PHE 432 Cb 0.55 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1j3k h PHE 432 CO -0.11 0.89 -0.74 1.96 -2.23 0.00 0.00 178.31 178.08 1j3k h GLN 433 N 0.89 0.42 -0.29 1.11 1.08 -0.78 0.63 115.11 118.17 1j3k h GLN 433 Ca 0.17 -0.35 -0.08 0.00 -1.45 0.00 0.00 58.65 56.94 1j3k h GLN 433 Cb 0.46 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 1j3k h GLN 433 CO 0.02 0.99 -0.17 -1.49 -0.95 0.00 0.00 178.83 177.22 1j3k h TRP 434 N 0.29 0.57 0.00 2.96 4.06 -0.69 -2.92 115.95 120.21 1j3k h TRP 434 Ca -0.03 -0.10 0.00 0.00 2.06 0.00 0.00 58.89 60.82 1j3k h TRP 434 Cb 1.32 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 1j3k h TRP 434 CO 0.05 0.67 -1.40 0.54 -3.56 0.00 0.00 178.44 174.73 1j3k n ARG 435 N -4.17 0.93 -1.74 0.49 5.12 -0.85 -1.54 116.66 114.90 1j3k n ARG 435 Ca 0.00 -0.10 0.03 0.00 -1.93 0.00 0.00 57.85 55.85 1j3k n ARG 435 Cb 0.36 -1.28 0.02 0.00 -1.16 0.00 0.00 32.46 30.40 1j3k n ARG 435 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 1j3k n HIS 436 N -1.82 0.21 -1.60 -1.55 8.25 0.22 -3.46 115.22 115.47 1j3k n HIS 436 Ca -0.01 -0.81 -0.57 0.00 -0.26 0.00 0.00 57.72 56.06 1j3k n HIS 436 Cb 0.33 -0.12 -0.07 0.00 1.12 0.00 0.00 29.99 31.24 1j3k n HIS 436 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1j3k n PHE 437 N 0.26 1.38 0.00 4.41 -0.00 -1.01 -0.60 117.46 121.89 1j3k n PHE 437 Ca 0.05 0.81 0.00 0.00 -0.00 0.00 0.00 57.45 58.31 1j3k n PHE 437 Cb 1.06 -2.27 0.00 0.00 -0.00 0.00 0.00 39.48 38.28 1j3k n PHE 437 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1j3k n GLY 438 N 2.69 3.19 3.77 7.13 0.00 -1.26 -0.42 105.19 120.28 1j3k n GLY 438 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1j3k n GLY 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j3k s ALA 439 N -2.50 2.50 -0.03 4.61 0.00 0.23 -4.85 121.76 121.71 1j3k s ALA 439 Ca 0.00 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 52.35 1j3k s ALA 439 Cb 0.00 -3.35 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1j3k s ALA 439 CO 0.00 -1.20 1.05 -2.00 0.00 0.00 0.00 175.76 173.61 1j3k s GLU 440 N -3.81 4.47 0.12 0.00 2.56 -1.26 -5.00 118.70 115.78 1j3k s GLU 440 Ca 0.70 1.49 -0.22 0.00 0.00 0.00 0.00 54.97 56.94 1j3k s GLU 440 Cb -0.23 -3.48 -0.07 0.00 2.00 0.00 0.00 34.13 32.35 1j3k s GLU 440 CO 0.37 -0.21 0.68 -0.47 -0.56 0.00 0.00 175.26 175.07 1j3k s TYR 441 N 1.47 3.86 0.00 5.30 5.04 -1.26 -4.98 117.35 126.77 1j3k s TYR 441 Ca 0.52 1.46 0.00 0.00 -2.44 0.00 0.00 57.07 56.61 1j3k s TYR 441 Cb -0.22 -2.63 0.00 0.00 0.35 0.00 0.00 41.96 39.46 1j3k s TYR 441 CO 0.24 0.55 0.00 0.25 -1.34 0.00 0.00 175.55 175.25 1j3k n THR 442 N 1.63 0.00 -3.99 4.34 -2.24 -1.26 -5.10 114.28 107.67 1j3k n THR 442 Ca -0.08 0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.63 1j3k n THR 442 Cb 0.50 -0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 67.90 1j3k n THR 442 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1j3k s ASN 443 N -1.42 0.14 0.09 3.42 2.20 -1.26 -5.05 114.94 113.06 1j3k s ASN 443 Ca 0.00 -0.90 0.08 0.00 -0.94 0.00 0.00 52.86 51.09 1j3k s ASN 443 Cb 0.00 0.37 0.38 0.00 -2.00 0.00 0.00 41.25 40.00 1j3k s ASN 443 CO 0.00 -0.80 1.23 1.15 -2.94 0.00 0.00 177.10 175.74 1j3k n MET 444 N -0.13 0.04 0.00 3.55 0.00 -1.26 -2.28 117.12 117.04 1j3k n MET 444 Ca -0.09 0.51 0.11 0.00 0.00 0.00 0.00 57.70 58.22 1j3k n MET 444 Cb 0.63 -1.63 0.04 0.00 0.00 0.00 0.00 33.22 32.26 1j3k n MET 444 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1j3k n TYR 445 N -1.71 0.00 -1.17 3.17 4.01 -1.26 -4.71 117.16 115.49 1j3k n TYR 445 Ca 0.00 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.43 1j3k n TYR 445 Cb 0.03 0.00 0.11 0.00 -0.31 0.00 0.00 39.34 39.18 1j3k n TYR 445 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1j3k s ASP 446 N -2.12 4.00 -0.35 7.72 -1.08 -0.96 -4.99 116.67 118.87 1j3k s ASP 446 Ca 0.21 1.77 -0.17 0.00 -0.52 0.00 0.00 52.55 53.83 1j3k s ASP 446 Cb 0.17 -2.43 -0.00 0.00 -1.46 0.00 0.00 42.92 39.20 1j3k s ASP 446 CO 0.42 -2.35 0.48 0.21 0.52 0.00 0.00 175.17 174.45 1j3k s ASN 447 N -3.31 6.28 -0.09 -0.34 3.84 -1.26 -4.92 114.94 115.14 1j3k s ASN 447 Ca 0.62 -0.12 0.14 0.00 0.21 0.00 0.00 52.86 53.72 1j3k s ASN 447 Cb -0.18 -2.25 0.47 0.00 -0.55 0.00 0.00 41.25 38.74 1j3k s ASN 447 CO 0.57 -0.46 1.39 -1.22 -2.79 0.00 0.00 177.10 174.58 1j3k n TYR 448 N 5.67 0.85 -1.69 0.43 4.01 -1.26 -4.99 117.16 120.18 1j3k n TYR 448 Ca -0.06 -0.67 -0.55 0.00 -0.16 0.00 0.00 57.90 56.46 1j3k n TYR 448 Cb 0.49 -0.19 -0.06 0.00 -0.31 0.00 0.00 39.34 39.27 1j3k n TYR 448 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1j3k n GLU 449 N 0.20 1.40 -1.13 -0.72 2.13 -1.26 -0.20 120.64 121.05 1j3k n GLU 449 Ca 0.18 0.51 -0.05 0.00 0.66 0.00 0.00 57.16 58.47 1j3k n GLU 449 Cb 0.70 -2.22 -0.02 0.00 0.27 0.00 0.00 31.44 30.17 1j3k n GLU 449 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1j3k n ASN 450 N 5.19 -4.51 -4.79 4.31 3.02 -1.26 -5.00 115.26 112.21 1j3k n ASN 450 Ca 0.24 0.11 -0.36 0.00 -0.03 0.00 0.00 54.58 54.54 1j3k n ASN 450 Cb 0.18 -2.41 -0.07 0.00 -0.61 0.00 0.00 39.78 36.86 1j3k n ASN 450 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1j3k s LYS 451 N -1.83 3.31 0.24 3.52 1.02 0.71 -4.99 119.74 121.72 1j3k s LYS 451 Ca 0.00 -0.24 0.00 0.00 0.02 0.00 0.00 55.97 55.75 1j3k s LYS 451 Cb 0.00 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.26 1j3k s LYS 451 CO 0.00 0.72 0.00 0.41 -0.92 0.00 0.00 175.35 175.56 1j3k n GLY 452 N 2.15 -2.17 3.63 -3.33 0.00 -1.26 -4.39 105.19 99.81 1j3k n GLY 452 Ca -0.19 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 1j3k n GLY 452 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1j3k s VAL 453 N -0.99 5.03 -1.21 1.61 1.01 0.44 -4.76 120.40 121.53 1j3k s VAL 453 Ca 0.00 1.01 -0.17 0.00 0.00 0.00 0.00 61.98 62.82 1j3k s VAL 453 Cb 0.00 -3.88 0.11 0.00 0.00 0.00 0.00 36.38 32.61 1j3k s VAL 453 CO 0.00 0.07 1.55 -0.62 0.00 0.00 0.00 175.10 176.10 1j3k s ASP 454 N 1.47 6.88 0.22 3.32 -1.08 -1.22 -2.41 116.67 123.84 1j3k s ASP 454 Ca 0.24 -2.52 -0.08 0.00 -0.52 0.00 0.00 52.55 49.68 1j3k s ASP 454 Cb -0.16 -2.50 0.27 0.00 -1.46 0.00 0.00 42.92 39.08 1j3k s ASP 454 CO 0.09 -1.04 1.84 1.56 0.52 0.00 0.00 175.17 178.14 1j3k h GLN 455 N 7.74 0.84 -0.19 4.34 4.20 -1.53 -1.80 115.11 128.71 1j3k h GLN 455 Ca 0.35 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 59.03 1j3k h GLN 455 Cb 0.90 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 1j3k h GLN 455 CO 1.35 0.55 0.05 1.25 -0.67 0.00 0.00 178.83 181.36 1j3k h LEU 456 N 0.86 0.04 -0.55 1.46 5.85 -1.67 -0.03 115.31 121.28 1j3k h LEU 456 Ca 0.33 0.02 0.01 0.00 0.84 0.00 0.00 57.88 59.08 1j3k h LEU 456 Cb 0.14 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1j3k h LEU 456 CO -0.16 0.05 0.36 0.50 -0.34 0.00 0.00 178.44 178.85 1j3k h LYS 457 N 0.13 0.72 -0.58 1.25 3.64 -1.80 -2.46 116.57 117.48 1j3k h LYS 457 Ca 0.08 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1j3k h LYS 457 Cb 0.06 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 1j3k h LYS 457 CO -0.10 0.48 0.26 -0.91 -2.27 0.00 0.00 179.45 176.91 1j3k h ASN 458 N 0.74 0.78 0.30 4.20 2.35 -0.90 -2.13 115.58 120.92 1j3k h ASN 458 Ca 0.20 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.70 1j3k h ASN 458 Cb -0.09 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.07 1j3k h ASN 458 CO -0.04 0.71 -0.42 0.16 -1.65 0.00 0.00 177.43 176.19 1j3k h ILE 459 N 0.79 1.31 -0.56 2.81 3.07 -0.82 -0.84 117.51 123.27 1j3k h ILE 459 Ca 0.20 -1.51 -0.09 0.00 1.55 0.00 0.00 64.86 65.01 1j3k h ILE 459 Cb 0.16 1.72 -0.02 0.00 -0.27 0.00 0.00 36.82 38.41 1j3k h ILE 459 CO -0.02 0.44 0.00 0.40 -1.05 0.00 0.00 178.15 177.92 1j3k h ILE 460 N 0.13 1.26 -0.35 0.16 2.04 -1.26 -0.35 117.51 119.14 1j3k h ILE 460 Ca 0.01 -1.12 -0.11 0.00 1.00 0.00 0.00 64.86 64.64 1j3k h ILE 460 Cb 0.80 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1j3k h ILE 460 CO 0.06 0.40 -0.23 0.78 0.00 0.00 0.00 178.15 179.17 1j3k h ASN 461 N 0.87 0.69 -0.37 1.72 2.35 -1.00 -1.99 115.58 117.85 1j3k h ASN 461 Ca 0.16 -0.24 -0.12 0.00 -0.55 0.00 0.00 56.30 55.55 1j3k h ASN 461 Cb 0.54 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1j3k h ASN 461 CO 0.03 0.90 -0.25 -0.07 -1.65 0.00 0.00 177.43 176.39 1j3k h LEU 462 N 0.60 0.85 -1.18 1.61 3.38 -0.95 0.12 115.31 119.74 1j3k h LEU 462 Ca 0.09 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 1j3k h LEU 462 Cb 0.71 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1j3k h LEU 462 CO 0.05 1.10 0.10 0.40 0.09 0.00 0.00 178.44 180.18 1j3k h ILE 463 N 0.61 1.20 0.05 1.22 2.04 -0.88 0.54 117.51 122.29 1j3k h ILE 463 Ca 0.07 -0.72 -0.11 0.00 1.00 0.00 0.00 64.86 65.10 1j3k h ILE 463 Cb 0.81 0.76 0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1j3k h ILE 463 CO 0.07 0.26 -0.48 0.11 0.00 0.00 0.00 178.15 178.11 1j3k h LYS 464 N 0.65 0.23 0.00 2.37 1.57 -1.21 -3.34 116.57 116.84 1j3k h LYS 464 Ca 0.15 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1j3k h LYS 464 Cb 0.26 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1j3k h LYS 464 CO -0.00 1.09 -1.82 0.09 -0.57 0.00 0.00 179.45 178.23 1j3k n ASN 465 N -4.33 0.16 -2.98 0.86 3.02 0.40 -4.67 115.26 107.72 1j3k n ASN 465 Ca -0.11 -0.11 -0.14 0.00 -0.03 0.00 0.00 54.58 54.19 1j3k n ASN 465 Cb 0.65 1.80 0.01 0.00 -0.61 0.00 0.00 39.78 41.62 1j3k n ASN 465 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1j3k n ASP 466 N -2.18 0.39 -0.14 6.41 2.03 0.19 -4.99 116.55 118.25 1j3k n ASP 466 Ca -0.03 -3.01 0.28 0.00 0.52 0.00 0.00 54.79 52.55 1j3k n ASP 466 Cb 0.54 -0.17 0.68 0.00 -0.72 0.00 0.00 41.12 41.45 1j3k n ASP 466 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1j3k h PRO 467 N 2.95 0.00 -0.64 -0.67 0.13 -1.58 -0.43 132.00 131.76 1j3k h PRO 467 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1j3k h PRO 467 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1j3k h PRO 467 CO 0.42 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.44 1j3k n THR 468 N -3.75 1.58 -2.26 1.56 -2.24 -1.26 -4.08 114.28 103.82 1j3k n THR 468 Ca 0.18 -0.95 -0.37 0.00 -2.27 0.00 0.00 64.05 60.65 1j3k n THR 468 Cb 1.09 -0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 69.26 1j3k n THR 468 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1j3k s SER 469 N -0.76 6.13 -0.17 3.42 0.15 -0.17 -4.92 113.70 117.39 1j3k s SER 469 Ca 0.40 2.29 0.16 0.00 0.70 0.00 0.00 55.95 59.50 1j3k s SER 469 Cb 0.27 -2.60 0.60 0.00 -1.71 0.00 0.00 66.02 62.58 1j3k s SER 469 CO 0.18 -0.94 1.51 0.54 1.20 0.00 0.00 173.24 175.73 1j3k n ARG 470 N -0.56 3.51 -0.31 5.44 1.74 -1.26 -4.35 116.66 120.87 1j3k n ARG 470 Ca 0.08 -2.86 0.08 0.00 -0.77 0.00 0.00 57.85 54.37 1j3k n ARG 470 Cb 0.48 -1.91 0.19 0.00 -1.02 0.00 0.00 32.46 30.20 1j3k n ARG 470 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1j3k n ARG 471 N 0.03 1.84 -2.81 5.56 1.74 -1.26 -4.91 116.66 116.84 1j3k n ARG 471 Ca 0.23 -2.80 -0.43 0.00 -0.77 0.00 0.00 57.85 54.07 1j3k n ARG 471 Cb 0.93 -1.64 -0.01 0.00 -1.02 0.00 0.00 32.46 30.72 1j3k n ARG 471 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1j3k s ILE 472 N -2.94 4.62 0.06 0.55 1.01 -1.26 -4.94 121.20 118.30 1j3k s ILE 472 Ca 0.37 -2.00 0.06 0.00 0.00 0.00 0.00 60.65 59.07 1j3k s ILE 472 Cb 0.32 -4.96 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 1j3k s ILE 472 CO 0.03 -1.72 -0.16 -0.76 0.00 0.00 0.00 174.94 172.33 1j3k s LEU 473 N 2.84 2.21 -0.18 2.97 1.02 -1.26 -1.25 118.68 125.04 1j3k s LEU 473 Ca 0.43 -0.54 0.01 0.00 0.02 0.00 0.00 54.13 54.06 1j3k s LEU 473 Cb -0.01 -0.67 0.03 0.00 0.02 0.00 0.00 46.19 45.55 1j3k s LEU 473 CO -0.02 0.03 -0.17 -0.22 0.02 0.00 0.00 176.35 175.99 1j3k s LEU 474 N -1.39 2.08 -0.08 1.79 2.96 -0.34 -4.89 118.68 118.80 1j3k s LEU 474 Ca 0.02 -0.66 0.04 0.00 -0.22 0.00 0.00 54.13 53.31 1j3k s LEU 474 Cb -0.09 -1.36 -0.00 0.00 0.50 0.00 0.00 46.19 45.24 1j3k s LEU 474 CO 0.02 -0.04 -0.23 0.00 -1.32 0.00 0.00 176.35 174.78 1j3k n ALA 476 N 3.36 4.02 -2.39 0.00 0.00 -0.24 -4.73 120.51 120.53 1j3k n ALA 476 Ca -0.19 -0.51 -0.43 0.00 0.00 0.00 0.00 53.44 52.32 1j3k n ALA 476 Cb 0.53 -0.67 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1j3k n ALA 476 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1j3k n TRP 477 N -1.60 4.17 -2.84 0.00 -0.00 -1.23 -4.82 117.44 111.12 1j3k n TRP 477 Ca 0.02 -2.97 -0.43 0.00 -0.00 0.00 0.00 57.50 54.12 1j3k n TRP 477 Cb 0.34 -2.43 -0.04 0.00 -0.00 0.00 0.00 31.31 29.18 1j3k n TRP 477 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1j3k s ASN 478 N 3.19 6.25 0.30 5.87 3.84 -1.26 -4.90 114.94 128.22 1j3k s ASN 478 Ca 0.48 -1.14 0.06 0.00 0.21 0.00 0.00 52.86 52.47 1j3k s ASN 478 Cb 0.06 -2.43 0.79 0.00 -0.55 0.00 0.00 41.25 39.12 1j3k s ASN 478 CO 0.01 -1.41 1.70 0.58 -2.79 0.00 0.00 177.10 175.19 1j3k h VAL 479 N 5.99 0.46 -0.42 -5.21 2.07 -2.02 -1.23 116.25 115.89 1j3k h VAL 479 Ca -0.21 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1j3k h VAL 479 Cb 1.06 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1j3k h VAL 479 CO 1.19 0.08 0.15 0.50 0.02 0.00 0.00 177.57 179.50 1j3k h LYS 480 N 0.42 0.60 -0.01 1.57 3.64 -2.02 -3.16 116.57 117.62 1j3k h LYS 480 Ca 0.59 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 1j3k h LYS 480 Cb 1.15 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1j3k h LYS 480 CO -0.53 0.51 -0.42 -0.25 -2.27 0.00 0.00 179.45 176.50 1j3k n ASP 481 N -4.36 1.34 -0.23 4.20 8.00 -0.51 -4.68 116.55 120.32 1j3k n ASP 481 Ca 0.03 -1.07 -0.03 0.00 0.71 0.00 0.00 54.79 54.43 1j3k n ASP 481 Cb 0.16 0.34 0.03 0.00 -0.02 0.00 0.00 41.12 41.63 1j3k n ASP 481 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1j3k h LEU 482 N 1.45 -1.03 -2.09 0.64 3.38 -1.41 -0.83 115.31 115.41 1j3k h LEU 482 Ca 0.00 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1j3k h LEU 482 Cb 0.60 0.55 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1j3k h LEU 482 CO 0.00 -0.28 0.00 0.44 0.09 0.00 0.00 178.44 178.69 1j3k h ASP 483 N -0.10 0.00 0.78 -0.43 3.32 -1.84 -2.00 116.42 116.14 1j3k h ASP 483 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1j3k h ASP 483 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 1j3k h ASP 483 CO -0.72 0.00 -0.32 0.00 -1.72 0.00 0.00 179.24 176.48 1j3k n GLN 484 N -2.92 0.05 -2.95 3.56 6.02 -0.33 -4.87 117.38 115.94 1j3k n GLN 484 Ca -0.01 0.02 -0.36 0.00 -0.01 0.00 0.00 57.00 56.64 1j3k n GLN 484 Cb 0.16 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 29.82 1j3k n GLN 484 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1j3k s MET 485 N -3.03 4.40 0.28 -1.09 -1.94 -0.75 -4.29 119.30 112.88 1j3k s MET 485 Ca 0.11 1.08 0.02 0.00 -1.71 0.00 0.00 55.69 55.19 1j3k s MET 485 Cb 0.17 -2.82 0.58 0.00 2.01 0.00 0.00 34.83 34.77 1j3k s MET 485 CO 0.64 0.33 1.81 0.00 -0.01 0.00 0.00 175.02 177.79 1j3k h ALA 486 N 3.26 1.50 -2.20 3.03 0.00 -1.44 -3.42 119.26 119.98 1j3k h ALA 486 Ca -0.47 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 1j3k h ALA 486 Cb 1.19 -0.15 -0.21 0.00 0.00 0.00 0.00 17.79 18.62 1j3k h ALA 486 CO 0.65 0.12 0.03 -0.48 0.00 0.00 0.00 179.25 179.57 1j3k s LEU 487 N -10.26 -0.31 0.47 0.00 2.34 -1.26 -4.96 118.68 104.69 1j3k s LEU 487 Ca -0.12 0.95 -0.25 0.00 0.06 0.00 0.00 54.13 54.78 1j3k s LEU 487 Cb 0.23 2.14 -0.08 0.00 -0.56 0.00 0.00 46.19 47.93 1j3k s LEU 487 CO 0.80 -0.36 1.39 -2.84 -1.06 0.00 0.00 176.35 174.28 1j3k s PRO 488 N -0.32 3.60 0.56 1.48 0.02 -1.26 -4.94 135.00 134.14 1j3k s PRO 488 Ca -0.05 2.33 -0.20 0.00 0.02 0.00 0.00 61.00 63.10 1j3k s PRO 488 Cb -0.03 -2.57 -0.04 0.00 0.02 0.00 0.00 34.50 31.87 1j3k s PRO 488 CO 0.04 -0.85 1.22 -1.25 -0.33 0.00 0.00 177.00 175.82 1j3k s PRO 489 N -2.53 3.14 -0.15 5.54 0.04 -1.26 -4.96 135.00 134.81 1j3k s PRO 489 Ca 0.63 1.86 -0.04 0.00 0.04 0.00 0.00 61.00 63.48 1j3k s PRO 489 Cb -0.42 -2.05 -0.24 0.00 0.04 0.00 0.00 34.50 31.84 1j3k s PRO 489 CO 0.53 -1.08 0.22 0.00 0.04 0.00 0.00 177.00 176.70 1j3k s HIS 491 N -2.55 3.13 0.07 0.00 3.76 -1.26 -1.12 115.29 117.32 1j3k s HIS 491 Ca -0.25 -1.31 -0.26 0.00 -0.15 0.00 0.00 55.06 53.08 1j3k s HIS 491 Cb 0.07 -4.19 -0.17 0.00 1.11 0.00 0.00 32.58 29.40 1j3k s HIS 491 CO 0.73 -1.42 1.65 0.82 -0.85 0.00 0.00 174.74 175.66 1j3k h ILE 492 N 5.73 0.78 -3.26 0.60 1.08 -1.61 -3.42 117.51 117.41 1j3k h ILE 492 Ca 0.04 -0.09 -0.03 0.00 -0.39 0.00 0.00 64.86 64.39 1j3k h ILE 492 Cb 1.04 0.84 -0.11 0.00 -3.07 0.00 0.00 36.82 35.52 1j3k h ILE 492 CO 1.07 0.02 0.04 -1.48 -0.69 0.00 0.00 178.15 177.12 1j3k s LEU 493 N -10.06 0.02 -0.09 1.44 0.05 -1.23 -1.08 118.68 107.74 1j3k s LEU 493 Ca -0.15 -0.35 0.01 0.00 0.05 0.00 0.00 54.13 53.70 1j3k s LEU 493 Cb 0.05 2.17 0.02 0.00 -2.05 0.00 0.00 46.19 46.38 1j3k s LEU 493 CO 0.64 -0.99 -0.11 0.00 -0.55 0.00 0.00 176.35 175.33 1j3k s GLN 495 N 1.01 1.92 0.23 0.00 0.74 0.92 -1.20 119.66 123.29 1j3k s GLN 495 Ca -0.08 -1.06 0.10 0.00 0.05 0.00 0.00 55.36 54.38 1j3k s GLN 495 Cb -0.15 -2.09 -0.04 0.00 1.10 0.00 0.00 33.01 31.82 1j3k s GLN 495 CO -0.01 0.52 -0.12 -0.06 -0.55 0.00 0.00 175.29 175.07 1j3k s PHE 496 N -0.90 2.50 -0.07 1.67 0.08 -0.38 -0.74 117.98 120.14 1j3k s PHE 496 Ca 0.14 -0.27 -0.04 0.00 0.12 0.00 0.00 56.93 56.87 1j3k s PHE 496 Cb -0.10 -1.16 0.03 0.00 -0.57 0.00 0.00 43.02 41.22 1j3k s PHE 496 CO 0.04 0.60 0.17 -0.47 -0.10 0.00 0.00 175.22 175.46 1j3k s TYR 497 N -2.08 -0.19 -0.07 0.36 5.04 -0.48 -4.69 117.35 115.23 1j3k s TYR 497 Ca 0.27 0.50 0.03 0.00 -2.44 0.00 0.00 57.07 55.44 1j3k s TYR 497 Cb -0.07 0.01 0.00 0.00 0.35 0.00 0.00 41.96 42.25 1j3k s TYR 497 CO 0.15 -0.14 -0.18 0.08 -1.34 0.00 0.00 175.55 174.13 1j3k s VAL 498 N 0.66 1.55 -0.19 3.14 1.01 -1.26 -0.71 120.40 124.60 1j3k s VAL 498 Ca -0.05 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 1j3k s VAL 498 Cb -0.06 -1.36 0.06 0.00 0.00 0.00 0.00 36.38 35.01 1j3k s VAL 498 CO -0.03 0.45 0.48 0.12 0.00 0.00 0.00 175.10 176.11 1j3k s PHE 499 N 0.37 -0.63 -1.51 5.22 5.36 -0.78 -4.76 117.98 121.25 1j3k s PHE 499 Ca -0.13 1.40 -0.03 0.00 -0.96 0.00 0.00 56.93 57.21 1j3k s PHE 499 Cb -0.15 0.27 0.03 0.00 -0.34 0.00 0.00 43.02 42.82 1j3k s PHE 499 CO 0.05 -0.32 0.31 -3.47 -1.46 0.00 0.00 175.22 170.33 1j3k n ASP 500 N 3.56 -0.20 -1.25 6.13 2.03 -1.26 -0.70 116.55 124.86 1j3k n ASP 500 Ca -0.18 -1.12 -0.15 0.00 0.52 0.00 0.00 54.79 53.86 1j3k n ASP 500 Cb 0.56 -2.43 -0.06 0.00 -0.72 0.00 0.00 41.12 38.48 1j3k n ASP 500 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1j3k n GLY 501 N -2.11 1.25 3.24 0.27 0.00 -1.26 -5.00 105.19 101.58 1j3k n GLY 501 Ca -0.26 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 1j3k n GLY 501 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j3k s LYS 502 N -3.52 1.52 -0.16 1.61 1.02 0.13 -1.52 119.74 118.83 1j3k s LYS 502 Ca 0.00 -0.85 -0.02 0.00 0.02 0.00 0.00 55.97 55.13 1j3k s LYS 502 Cb 0.00 -1.56 -0.02 0.00 -0.52 0.00 0.00 37.83 35.73 1j3k s LYS 502 CO 0.00 0.41 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.58 1j3k s LEU 503 N -0.85 2.87 0.20 3.17 2.96 0.93 -1.87 118.68 126.09 1j3k s LEU 503 Ca 0.08 -0.30 0.10 0.00 -0.22 0.00 0.00 54.13 53.78 1j3k s LEU 503 Cb -0.08 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 1j3k s LEU 503 CO 0.01 0.12 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.58 1j3k s SER 504 N 0.64 3.99 -0.01 3.68 0.01 0.11 -0.38 113.70 121.74 1j3k s SER 504 Ca -0.05 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.51 1j3k s SER 504 Cb -0.15 -0.57 0.01 0.00 0.21 0.00 0.00 66.02 65.53 1j3k s SER 504 CO 0.03 0.10 0.00 0.00 0.41 0.00 0.00 173.24 173.77 1j3k s ILE 506 N 0.50 3.23 -0.10 0.00 1.01 0.08 0.24 121.20 126.16 1j3k s ILE 506 Ca -0.04 -0.59 0.04 0.00 0.00 0.00 0.00 60.65 60.05 1j3k s ILE 506 Cb -0.07 -2.38 0.00 0.00 0.01 0.00 0.00 42.46 40.02 1j3k s ILE 506 CO -0.01 0.51 -0.23 -0.32 0.00 0.00 0.00 174.94 174.89 1j3k s MET 507 N 0.44 2.90 -0.26 2.79 1.75 0.02 -0.05 119.30 126.88 1j3k s MET 507 Ca -0.08 -0.83 -0.11 0.00 -1.25 0.00 0.00 55.69 53.42 1j3k s MET 507 Cb -0.15 -2.21 -0.05 0.00 2.84 0.00 0.00 34.83 35.26 1j3k s MET 507 CO 0.04 0.15 0.17 -0.47 -0.65 0.00 0.00 175.02 174.27 1j3k s TYR 508 N 0.40 3.26 -0.27 4.11 6.14 -0.18 -1.36 117.35 129.45 1j3k s TYR 508 Ca -0.18 0.16 -0.03 0.00 0.64 0.00 0.00 57.07 57.65 1j3k s TYR 508 Cb -0.18 -2.33 0.02 0.00 0.42 0.00 0.00 41.96 39.90 1j3k s TYR 508 CO 0.08 -0.06 -0.01 -1.14 0.64 0.00 0.00 175.55 175.06 1j3k s GLN 509 N 1.43 2.91 0.38 4.97 0.74 0.09 -1.77 119.66 128.40 1j3k s GLN 509 Ca 0.07 -0.94 0.17 0.00 0.05 0.00 0.00 55.36 54.70 1j3k s GLN 509 Cb -0.15 -3.12 0.74 0.00 1.10 0.00 0.00 33.01 31.59 1j3k s GLN 509 CO 0.08 -0.42 1.79 0.07 -0.55 0.00 0.00 175.29 176.26 1j3k h ARG 510 N 8.08 0.00 -3.42 1.67 0.11 -1.42 0.13 114.38 119.53 1j3k h ARG 510 Ca -0.32 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.41 1j3k h ARG 510 Cb 1.11 0.00 -0.37 0.00 1.11 0.00 0.00 29.97 31.82 1j3k h ARG 510 CO 0.58 0.38 -0.74 0.45 0.10 0.00 0.00 179.97 180.74 1j3k s SER 511 N -6.62 0.81 -0.17 0.08 0.15 -1.26 -0.75 113.70 105.94 1j3k s SER 511 Ca -0.01 0.05 -0.00 0.00 0.70 0.00 0.00 55.95 56.69 1j3k s SER 511 Cb 0.13 -0.14 0.04 0.00 -1.71 0.00 0.00 66.02 64.33 1j3k s SER 511 CO 0.70 -0.20 -0.07 0.00 1.20 0.00 0.00 173.24 174.87 1j3k s ASP 513 N 1.57 6.38 0.19 0.00 -1.08 -1.26 -1.36 116.67 121.12 1j3k s ASP 513 Ca 0.00 -1.32 -0.12 0.00 -0.52 0.00 0.00 52.55 50.59 1j3k s ASP 513 Cb -0.15 -2.48 0.19 0.00 -1.46 0.00 0.00 42.92 39.02 1j3k s ASP 513 CO -0.08 -1.42 1.73 -0.07 0.52 0.00 0.00 175.17 175.85 1j3k h LEU 514 N 11.74 0.09 -0.64 -1.34 -0.00 -1.63 -0.09 115.31 123.44 1j3k h LEU 514 Ca -0.03 0.08 -0.04 0.00 -0.00 0.00 0.00 57.88 57.88 1j3k h LEU 514 Cb 1.04 0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 41.75 1j3k h LEU 514 CO 1.24 0.08 0.26 1.23 -0.00 0.00 0.00 178.44 181.25 1j3k h GLY 515 N 0.30 1.03 0.00 0.83 0.00 -1.90 -3.38 103.07 99.94 1j3k h GLY 515 Ca 0.25 -0.56 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 1j3k h GLY 515 CO -0.29 0.53 -1.54 1.04 0.00 0.00 0.00 176.54 176.28 1j3k n LEU 516 N -4.42 2.14 -0.04 3.11 4.77 -1.17 -4.84 117.00 116.55 1j3k n LEU 516 Ca 0.04 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 1j3k n LEU 516 Cb 0.17 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 40.84 1j3k n LEU 516 CO 0.39 0.49 0.41 1.23 -1.33 0.00 0.00 177.39 178.58 1j3k h GLY 517 N 0.31 -0.03 -0.35 -0.72 0.00 -1.28 -3.39 103.07 97.61 1j3k h GLY 517 Ca -0.22 0.01 0.24 0.00 0.00 0.00 0.00 47.33 47.36 1j3k h GLY 517 CO -0.08 -0.01 0.37 -2.08 0.00 0.00 0.00 176.54 174.74 1j3k h VAL 518 N -0.87 0.38 -0.85 4.60 2.07 -1.46 -0.15 116.25 119.97 1j3k h VAL 518 Ca -0.00 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1j3k h VAL 518 Cb 0.75 0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1j3k h VAL 518 CO 0.00 0.06 0.56 -0.65 0.02 0.00 0.00 177.57 177.56 1j3k h PRO 519 N 0.32 1.02 0.03 1.57 0.11 -1.77 -0.67 132.00 132.60 1j3k h PRO 519 Ca 0.59 -0.06 -0.26 0.00 0.11 0.00 0.00 66.00 66.38 1j3k h PRO 519 Cb 1.19 -0.23 0.02 0.00 0.11 0.00 0.00 31.00 32.08 1j3k h PRO 519 CO -0.59 0.67 -1.06 0.74 -0.21 0.00 0.00 178.00 177.56 1j3k h PHE 520 N 1.05 0.89 -0.83 0.65 0.04 -1.29 -3.12 116.94 114.34 1j3k h PHE 520 Ca 0.34 -0.50 0.02 0.00 2.80 0.00 0.00 57.97 60.62 1j3k h PHE 520 Cb 0.03 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.04 1j3k h PHE 520 CO -0.00 1.34 0.54 -0.91 -0.60 0.00 0.00 178.31 178.68 1j3k h ASN 521 N 0.31 0.91 -0.19 2.17 -0.26 -0.50 0.13 115.58 118.15 1j3k h ASN 521 Ca -0.13 -0.01 0.02 0.00 -0.56 0.00 0.00 56.30 55.62 1j3k h ASN 521 Cb 1.71 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 38.74 1j3k h ASN 521 CO 0.20 0.64 0.07 0.40 -1.06 0.00 0.00 177.43 177.68 1j3k h ILE 522 N 1.07 0.96 -0.31 2.81 2.04 -1.19 -1.98 117.51 120.92 1j3k h ILE 522 Ca 0.32 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 66.11 1j3k h ILE 522 Cb -0.06 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1j3k h ILE 522 CO -0.09 0.03 0.14 0.00 0.00 0.00 0.00 178.15 178.23 1j3k h ALA 523 N 1.11 0.40 0.17 1.87 0.00 -1.36 -1.05 119.26 120.40 1j3k h ALA 523 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1j3k h ALA 523 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1j3k h ALA 523 CO -0.08 -0.03 -0.17 0.77 0.00 0.00 0.00 179.25 179.75 1j3k h SER 524 N 0.36 -0.44 0.82 0.00 0.02 -0.54 0.11 113.55 113.89 1j3k h SER 524 Ca 0.11 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1j3k h SER 524 Cb 0.14 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1j3k h SER 524 CO -0.01 -0.25 -0.23 1.88 -1.14 0.00 0.00 176.83 177.08 1j3k h TYR 525 N -0.36 0.00 -0.24 3.45 -1.99 -1.36 -0.15 116.97 116.31 1j3k h TYR 525 Ca 0.00 0.00 -0.19 0.00 2.00 0.00 0.00 58.73 60.55 1j3k h TYR 525 Cb 0.34 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.07 1j3k h TYR 525 CO -0.14 0.23 -0.59 0.77 -0.00 0.00 0.00 178.16 178.44 1j3k h SER 526 N 0.00 0.88 -0.34 3.88 0.02 -0.74 -1.17 113.55 116.09 1j3k h SER 526 Ca -0.00 -0.49 -0.05 0.00 -0.84 0.00 0.00 61.79 60.41 1j3k h SER 526 Cb 0.70 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 1j3k h SER 526 CO 0.03 1.27 0.01 0.40 -1.14 0.00 0.00 176.83 177.40 1j3k h ILE 527 N 0.59 1.25 -0.75 3.27 2.04 -0.64 -2.54 117.51 120.73 1j3k h ILE 527 Ca 0.00 -0.94 0.03 0.00 1.00 0.00 0.00 64.86 64.96 1j3k h ILE 527 Cb 1.18 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.42 1j3k h ILE 527 CO 0.12 0.31 0.48 0.15 0.00 0.00 0.00 178.15 179.21 1j3k h PHE 528 N 0.40 0.89 -0.76 1.37 3.57 -0.94 -1.19 116.94 120.27 1j3k h PHE 528 Ca 0.10 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.64 1j3k h PHE 528 Cb 0.43 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 1j3k h PHE 528 CO 0.03 0.50 0.49 1.15 -2.23 0.00 0.00 178.31 178.26 1j3k h THR 529 N 0.92 1.14 -0.65 4.41 2.02 -1.02 -0.81 112.91 118.92 1j3k h THR 529 Ca 0.31 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1j3k h THR 529 Cb 0.03 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 1j3k h THR 529 CO -0.12 0.18 0.28 0.45 0.37 0.00 0.00 175.52 176.68 1j3k h HIS 530 N 0.97 0.97 0.03 3.16 3.86 -0.98 -0.96 115.15 122.21 1j3k h HIS 530 Ca 0.30 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 1j3k h HIS 530 Cb -0.03 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.15 1j3k h HIS 530 CO -0.03 0.75 -0.01 0.52 0.86 0.00 0.00 177.93 180.02 1j3k h MET 531 N 0.91 -0.04 -0.43 2.45 2.07 -0.48 -0.60 114.93 118.80 1j3k h MET 531 Ca 0.22 0.00 -0.01 0.00 -2.07 0.00 0.00 59.70 57.84 1j3k h MET 531 Cb 0.18 0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 29.90 1j3k h MET 531 CO -0.02 0.05 0.23 0.82 1.07 0.00 0.00 176.91 179.06 1j3k h ILE 532 N -0.12 1.17 0.05 -1.22 1.08 -1.08 -1.85 117.51 115.54 1j3k h ILE 532 Ca -0.00 -0.45 0.02 0.00 -0.39 0.00 0.00 64.86 64.04 1j3k h ILE 532 Cb 0.11 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 1j3k h ILE 532 CO 0.01 0.18 -0.21 0.00 -0.69 0.00 0.00 178.15 177.43 1j3k h ALA 533 N 1.08 -0.31 -0.25 1.87 0.00 -1.06 -2.27 119.26 118.31 1j3k h ALA 533 Ca 0.15 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1j3k h ALA 533 Cb 0.08 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1j3k h ALA 533 CO -0.02 -0.72 -0.02 0.37 0.00 0.00 0.00 179.25 178.85 1j3k h GLN 534 N -0.36 0.04 0.00 0.00 4.15 -0.96 -0.53 115.11 117.45 1j3k h GLN 534 Ca 0.04 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1j3k h GLN 534 Cb 0.41 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1j3k h GLN 534 CO -0.16 0.03 0.00 1.33 -1.93 0.00 0.00 178.83 178.10 1j3k n VAL 535 N -5.18 0.75 -0.11 2.39 0.24 -0.71 -1.59 118.33 114.12 1j3k n VAL 535 Ca -0.01 0.19 0.05 0.00 -2.04 0.00 0.00 64.34 62.53 1j3k n VAL 535 Cb 0.14 -0.95 0.13 0.00 -1.47 0.00 0.00 33.84 31.69 1j3k n VAL 535 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j3k n ASN 537 N 0.41 -2.75 -4.30 0.00 3.02 -0.60 -4.91 115.26 106.14 1j3k n ASN 537 Ca 0.10 -0.64 -0.16 0.00 -0.03 0.00 0.00 54.58 53.85 1j3k n ASN 537 Cb 0.39 -4.93 -0.10 0.00 -0.61 0.00 0.00 39.78 34.53 1j3k n ASN 537 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1j3k s LEU 538 N -6.59 1.92 -0.04 3.41 1.43 -0.34 -5.02 118.68 113.45 1j3k s LEU 538 Ca 0.12 -1.28 -0.02 0.00 -1.03 0.00 0.00 54.13 51.92 1j3k s LEU 538 Cb -0.05 -0.07 -0.04 0.00 0.03 0.00 0.00 46.19 46.06 1j3k s LEU 538 CO 0.74 -0.63 0.07 -1.10 0.23 0.00 0.00 176.35 175.66 1j3k s GLN 539 N -3.96 3.09 0.25 1.70 -1.52 -0.58 -3.98 119.66 114.68 1j3k s GLN 539 Ca 0.31 -0.41 -0.30 0.00 -1.95 0.00 0.00 55.36 53.02 1j3k s GLN 539 Cb 0.07 -2.89 -0.09 0.00 -0.22 0.00 0.00 33.01 29.88 1j3k s GLN 539 CO 0.09 0.68 1.07 -1.25 -0.25 0.00 0.00 175.29 175.64 1j3k s PRO 540 N -1.39 4.67 0.00 2.91 0.04 -1.26 -0.05 135.00 139.93 1j3k s PRO 540 Ca 0.19 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1j3k s PRO 540 Cb -0.12 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1j3k s PRO 540 CO 0.09 0.25 0.00 0.00 0.04 0.00 0.00 177.00 177.38 1j3k n ALA 541 N 1.46 0.21 -2.66 8.56 0.00 0.49 -3.69 120.51 124.88 1j3k n ALA 541 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.13 1j3k n ALA 541 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 1j3k n ALA 541 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1j3k s GLN 542 N 0.60 2.43 -0.24 0.00 -0.21 -1.25 -0.64 119.66 120.35 1j3k s GLN 542 Ca 0.00 -0.89 -0.02 0.00 0.02 0.00 0.00 55.36 54.47 1j3k s GLN 542 Cb 0.00 -2.48 0.02 0.00 1.00 0.00 0.00 33.01 31.55 1j3k s GLN 542 CO 0.00 0.53 -0.06 0.12 -2.12 0.00 0.00 175.29 173.77 1j3k s PHE 543 N -1.28 3.02 -0.24 0.91 5.36 -0.46 -1.05 117.98 124.25 1j3k s PHE 543 Ca 0.24 -1.37 -0.05 0.00 -0.96 0.00 0.00 56.93 54.80 1j3k s PHE 543 Cb -0.12 -2.08 -0.01 0.00 -0.34 0.00 0.00 43.02 40.48 1j3k s PHE 543 CO 0.17 -0.68 0.01 0.42 -1.46 0.00 0.00 175.22 173.68 1j3k s ILE 544 N 1.37 3.75 -0.28 3.12 1.01 0.14 -1.13 121.20 129.18 1j3k s ILE 544 Ca 0.02 -0.41 -0.07 0.00 0.00 0.00 0.00 60.65 60.20 1j3k s ILE 544 Cb -0.16 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.56 1j3k s ILE 544 CO -0.04 0.36 0.07 -2.28 0.00 0.00 0.00 174.94 173.05 1j3k s HIS 545 N 1.53 3.13 -0.22 3.97 2.46 0.12 -0.80 115.29 125.47 1j3k s HIS 545 Ca 0.06 -0.89 -0.08 0.00 0.47 0.00 0.00 55.06 54.62 1j3k s HIS 545 Cb -0.15 -2.25 -0.04 0.00 -0.13 0.00 0.00 32.58 30.02 1j3k s HIS 545 CO -0.00 -0.54 0.08 0.08 -2.47 0.00 0.00 174.74 171.89 1j3k s VAL 546 N 1.52 4.71 -0.18 0.89 1.01 -0.47 -0.81 120.40 127.07 1j3k s VAL 546 Ca 0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 61.98 61.90 1j3k s VAL 546 Cb -0.17 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1j3k s VAL 546 CO 0.02 0.39 0.03 -0.76 0.00 0.00 0.00 175.10 174.79 1j3k s LEU 547 N 0.94 3.60 0.00 3.92 1.43 0.47 -0.73 118.68 128.31 1j3k s LEU 547 Ca 0.04 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1j3k s LEU 547 Cb -0.14 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1j3k s LEU 547 CO 0.03 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.36 1j3k n GLY 548 N 3.71 0.71 3.56 -3.19 0.00 0.45 -1.84 105.19 108.60 1j3k n GLY 548 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1j3k n GLY 548 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j3k s ASN 549 N -1.00 5.89 -0.27 1.61 3.84 0.07 -1.88 114.94 123.20 1j3k s ASN 549 Ca 0.00 0.08 -0.12 0.00 0.21 0.00 0.00 52.86 53.03 1j3k s ASN 549 Cb 0.00 -2.55 -0.05 0.00 -0.55 0.00 0.00 41.25 38.11 1j3k s ASN 549 CO 0.00 -1.94 0.23 0.00 -2.79 0.00 0.00 177.10 172.59 1j3k s ALA 550 N 6.84 3.54 0.06 1.71 0.00 -0.69 -0.58 121.76 132.63 1j3k s ALA 550 Ca 0.51 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 51.46 1j3k s ALA 550 Cb -0.11 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 1j3k s ALA 550 CO 0.21 -0.55 -0.05 -3.38 0.00 0.00 0.00 175.76 171.99 1j3k s HIS 551 N 1.78 0.62 -0.20 0.00 -3.43 -0.46 -1.41 115.29 112.18 1j3k s HIS 551 Ca 0.09 -0.82 0.00 0.00 -0.80 0.00 0.00 55.06 53.53 1j3k s HIS 551 Cb -0.16 -0.40 0.02 0.00 -1.43 0.00 0.00 32.58 30.62 1j3k s HIS 551 CO 0.10 -0.22 -0.15 0.08 -2.00 0.00 0.00 174.74 172.56 1j3k s VAL 552 N -2.92 2.36 0.22 -5.38 1.01 0.54 -1.40 120.40 114.83 1j3k s VAL 552 Ca 0.01 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.72 1j3k s VAL 552 Cb 0.01 -2.08 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 1j3k s VAL 552 CO -0.05 0.41 1.34 -0.31 0.00 0.00 0.00 175.10 176.49 1j3k s TYR 553 N 1.30 3.19 0.44 5.22 2.02 -1.26 -1.51 117.35 126.74 1j3k s TYR 553 Ca 0.03 1.18 0.25 0.00 -0.37 0.00 0.00 57.07 58.16 1j3k s TYR 553 Cb -0.14 -3.66 1.28 0.00 -0.40 0.00 0.00 41.96 39.04 1j3k s TYR 553 CO -0.10 -2.09 1.74 -0.91 -1.57 0.00 0.00 175.55 172.63 1j3k h ASN 554 N 5.21 0.30 -0.02 2.29 2.35 -1.55 0.25 115.58 124.40 1j3k h ASN 554 Ca -0.45 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1j3k h ASN 554 Cb 1.22 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.62 1j3k h ASN 554 CO 0.77 0.00 0.00 -0.46 -1.65 0.00 0.00 177.43 176.09 1j3k n ASN 555 N -4.54 0.26 -0.03 5.81 6.94 -1.26 -3.14 115.26 119.30 1j3k n ASN 555 Ca 0.29 -1.45 0.06 0.00 -0.02 0.00 0.00 54.58 53.46 1j3k n ASN 555 Cb 1.11 -0.02 -0.06 0.00 -2.36 0.00 0.00 39.78 38.45 1j3k n ASN 555 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1j3k n HIS 556 N -0.62 0.00 -0.21 -2.53 8.25 0.87 -2.75 115.22 118.22 1j3k n HIS 556 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1j3k n HIS 556 Cb 0.11 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.30 1j3k n HIS 556 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1j3k h ILE 557 N 0.16 0.40 -0.41 1.59 2.04 -1.51 -0.42 117.51 119.34 1j3k h ILE 557 Ca 0.00 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1j3k h ILE 557 Cb 0.31 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 1j3k h ILE 557 CO 0.00 0.01 0.09 0.44 0.00 0.00 0.00 178.15 178.68 1j3k h ASP 558 N 0.03 0.63 -0.59 1.72 3.32 -1.85 -1.52 116.42 118.17 1j3k h ASP 558 Ca 0.32 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 1j3k h ASP 558 Cb 0.50 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1j3k h ASP 558 CO -0.62 0.71 0.30 0.28 -1.72 0.00 0.00 179.24 178.19 1j3k h SER 559 N 0.52 0.77 0.66 6.45 0.02 -1.69 -2.36 113.55 117.93 1j3k h SER 559 Ca 0.13 -0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 60.87 1j3k h SER 559 Cb 0.33 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1j3k h SER 559 CO 0.00 0.65 -0.64 -0.07 -1.14 0.00 0.00 176.83 175.63 1j3k h LEU 560 N 0.86 0.00 -0.99 5.07 3.38 -0.74 -1.96 115.31 120.94 1j3k h LEU 560 Ca 0.22 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1j3k h LEU 560 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1j3k h LEU 560 CO -0.03 0.64 0.20 0.11 0.09 0.00 0.00 178.44 179.45 1j3k h LYS 561 N 0.00 0.92 -0.01 1.13 1.57 -0.76 -1.24 116.57 118.18 1j3k h LYS 561 Ca -0.01 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1j3k h LYS 561 Cb 1.15 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 1j3k h LYS 561 CO 0.08 0.79 -0.00 0.82 -0.57 0.00 0.00 179.45 180.57 1j3k h ILE 562 N 0.90 1.34 -0.52 1.86 2.04 -1.27 -3.27 117.51 118.59 1j3k h ILE 562 Ca 0.20 -1.01 0.06 0.00 1.00 0.00 0.00 64.86 65.12 1j3k h ILE 562 Cb 0.25 2.02 -0.05 0.00 -0.74 0.00 0.00 36.82 38.29 1j3k h ILE 562 CO -0.01 0.26 0.22 -0.61 0.00 0.00 0.00 178.15 178.01 1j3k h GLN 563 N -0.41 0.41 0.00 2.37 4.15 -0.98 -2.45 115.11 118.20 1j3k h GLN 563 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1j3k h GLN 563 Cb 0.43 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1j3k h GLN 563 CO 0.00 0.27 0.00 -0.07 -1.93 0.00 0.00 178.83 177.10 1j3k h LEU 564 N 0.42 0.00 -2.56 -2.39 4.07 -1.30 -0.73 115.31 112.81 1j3k h LEU 564 Ca 0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1j3k h LEU 564 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1j3k h LEU 564 CO -0.22 0.00 0.00 0.59 -1.08 0.00 0.00 178.44 177.73 1j3k n ASN 565 N -2.89 3.87 -4.70 -0.43 3.02 -0.92 -4.24 115.26 108.98 1j3k n ASN 565 Ca -0.03 -2.27 -0.35 0.00 -0.03 0.00 0.00 54.58 51.90 1j3k n ASN 565 Cb 0.07 -0.50 -0.09 0.00 -0.61 0.00 0.00 39.78 38.65 1j3k n ASN 565 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1j3k s ARG 566 N -1.63 3.02 -0.24 3.52 0.52 -0.28 -4.71 118.95 119.14 1j3k s ARG 566 Ca 0.43 -0.39 -0.17 0.00 -0.52 0.00 0.00 55.73 55.07 1j3k s ARG 566 Cb 0.26 -2.83 -0.03 0.00 0.52 0.00 0.00 34.95 32.87 1j3k s ARG 566 CO 0.23 0.71 0.47 0.42 0.02 0.00 0.00 175.30 177.15 1j3k s ILE 567 N -0.91 5.11 0.62 1.52 1.01 -1.26 -4.97 121.20 122.33 1j3k s ILE 567 Ca 0.14 0.81 -0.18 0.00 0.00 0.00 0.00 60.65 61.43 1j3k s ILE 567 Cb -0.11 -3.79 -0.06 0.00 0.01 0.00 0.00 42.46 38.50 1j3k s ILE 567 CO 0.03 0.14 0.68 -2.65 0.00 0.00 0.00 174.94 173.14 1j3k n PRO 568 N 5.19 0.58 -4.01 2.79 -0.02 -1.26 -4.94 135.00 133.33 1j3k n PRO 568 Ca -0.06 0.23 -0.22 0.00 -2.02 0.00 0.00 63.50 61.44 1j3k n PRO 568 Cb 0.50 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.04 1j3k n PRO 568 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1j3k s TYR 569 N -1.70 2.96 0.51 6.00 2.02 -1.26 -5.07 117.35 120.81 1j3k s TYR 569 Ca 0.71 -0.22 -0.23 0.00 -0.37 0.00 0.00 57.07 56.96 1j3k s TYR 569 Cb -0.41 -1.56 -0.06 0.00 -0.40 0.00 0.00 41.96 39.53 1j3k s TYR 569 CO 0.52 0.38 1.37 -1.25 -1.57 0.00 0.00 175.55 175.01 1j3k s PRO 570 N -3.89 3.37 0.76 -1.71 0.04 -1.26 -4.88 135.00 127.43 1j3k s PRO 570 Ca 0.36 2.27 -0.12 0.00 0.04 0.00 0.00 61.00 63.56 1j3k s PRO 570 Cb -0.06 -2.41 0.05 0.00 0.04 0.00 0.00 34.50 32.12 1j3k s PRO 570 CO 0.25 -1.02 1.10 -0.06 0.04 0.00 0.00 177.00 177.32 1j3k s PHE 571 N -1.28 2.48 0.30 0.56 0.08 -1.26 -4.58 117.98 114.28 1j3k s PHE 571 Ca 0.67 1.58 -0.03 0.00 0.12 0.00 0.00 56.93 59.27 1j3k s PHE 571 Cb -0.41 -3.12 0.06 0.00 -0.57 0.00 0.00 43.02 38.99 1j3k s PHE 571 CO 0.50 -1.89 0.40 -0.35 -0.10 0.00 0.00 175.22 173.78 1j3k n PRO 572 N -3.30 -0.06 -4.27 0.24 -0.04 -1.25 -4.83 135.00 121.48 1j3k n PRO 572 Ca 0.10 -0.82 -0.17 0.00 -0.04 0.00 0.00 63.50 62.58 1j3k n PRO 572 Cb 0.53 -0.36 -0.10 0.00 -0.04 0.00 0.00 33.50 33.52 1j3k n PRO 572 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1j3k s THR 573 N -1.49 1.37 -0.09 0.52 -4.23 -0.73 -1.78 115.64 109.22 1j3k s THR 573 Ca 0.24 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 58.80 1j3k s THR 573 Cb -0.01 -1.79 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 1j3k s THR 573 CO 0.17 -0.60 -0.17 -0.22 -0.54 0.00 0.00 174.62 173.26 1j3k s LEU 574 N -2.97 2.52 -0.04 4.79 2.96 -1.26 -1.01 118.68 123.67 1j3k s LEU 574 Ca 0.16 -0.35 0.06 0.00 -0.22 0.00 0.00 54.13 53.77 1j3k s LEU 574 Cb -0.01 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.15 1j3k s LEU 574 CO 0.03 0.24 -0.21 -0.75 -1.32 0.00 0.00 176.35 174.34 1j3k s LYS 575 N -0.09 2.03 0.06 1.98 2.20 0.12 -4.99 119.74 121.04 1j3k s LYS 575 Ca -0.03 -0.75 0.07 0.00 -0.36 0.00 0.00 55.97 54.89 1j3k s LYS 575 Cb -0.14 -1.79 -0.03 0.00 -1.51 0.00 0.00 37.83 34.35 1j3k s LYS 575 CO 0.04 0.35 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.72 1j3k s LEU 576 N -0.19 2.75 -0.01 5.43 1.43 -1.26 -1.13 118.68 125.69 1j3k s LEU 576 Ca -0.00 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 1j3k s LEU 576 Cb -0.11 -1.60 -0.08 0.00 0.03 0.00 0.00 46.19 44.43 1j3k s LEU 576 CO 0.02 0.24 1.99 0.21 0.23 0.00 0.00 176.35 179.03 1j3k s ASN 577 N -1.66 6.29 0.30 2.29 3.84 -0.37 -4.82 114.94 120.82 1j3k s ASN 577 Ca 0.16 2.51 0.24 0.00 0.21 0.00 0.00 52.86 55.98 1j3k s ASN 577 Cb -0.11 -2.53 1.09 0.00 -0.55 0.00 0.00 41.25 39.16 1j3k s ASN 577 CO 0.07 -1.20 1.72 1.55 -2.79 0.00 0.00 177.10 176.45 1j3k h PRO 578 N 11.30 0.00 0.00 0.43 0.13 -1.97 -2.93 132.00 138.96 1j3k h PRO 578 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1j3k h PRO 578 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1j3k h PRO 578 CO 0.95 0.00 -0.21 -0.44 -0.23 0.00 0.00 178.00 178.06 1j3k h ASP 579 N 0.00 0.00 -2.82 1.44 3.32 -2.01 -3.43 116.42 112.93 1j3k h ASP 579 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 1j3k h ASP 579 Cb 0.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 1j3k h ASP 579 CO 0.00 0.21 1.03 -0.63 -1.72 0.00 0.00 179.24 178.14 1j3k s ILE 580 N -3.85 3.89 -0.62 0.35 -1.09 -1.11 -4.87 121.20 113.90 1j3k s ILE 580 Ca -0.01 1.05 0.10 0.00 -2.23 0.00 0.00 60.65 59.56 1j3k s ILE 580 Cb 0.11 -3.79 -0.09 0.00 -1.58 0.00 0.00 42.46 37.12 1j3k s ILE 580 CO 0.63 -0.22 0.50 0.29 -1.23 0.00 0.00 174.94 174.91 1j3k n LYS 581 N 7.19 3.19 -4.56 2.79 4.76 -1.26 -4.68 118.16 125.59 1j3k n LYS 581 Ca 0.16 -0.16 -0.22 0.00 -2.87 0.00 0.00 58.31 55.23 1j3k n LYS 581 Cb 0.45 -1.02 -0.15 0.00 -1.84 0.00 0.00 35.03 32.47 1j3k n LYS 581 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1j3k s ASN 582 N -1.84 1.66 0.45 4.39 0.01 -1.26 -4.66 114.94 113.68 1j3k s ASN 582 Ca 0.05 -0.31 0.24 0.00 -0.71 0.00 0.00 52.86 52.13 1j3k s ASN 582 Cb 0.08 -0.16 1.25 0.00 0.41 0.00 0.00 41.25 42.83 1j3k s ASN 582 CO 0.39 0.13 1.81 -0.29 -1.51 0.00 0.00 177.10 177.63 1j3k h ILE 583 N 4.71 0.52 -0.00 0.60 6.09 -1.91 -0.97 117.51 126.55 1j3k h ILE 583 Ca -0.35 -0.09 0.00 0.00 -1.37 0.00 0.00 64.86 63.05 1j3k h ILE 583 Cb 1.17 0.25 0.00 0.00 0.47 0.00 0.00 36.82 38.70 1j3k h ILE 583 CO 0.47 0.05 -0.05 -0.62 -3.07 0.00 0.00 178.15 174.93 1j3k n GLU 584 N -4.46 0.18 -0.07 2.19 1.02 -1.26 -3.99 120.64 114.26 1j3k n GLU 584 Ca 0.24 -0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.48 1j3k n GLU 584 Cb 0.94 -1.50 0.29 0.00 -0.02 0.00 0.00 31.44 31.15 1j3k n GLU 584 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1j3k n ASP 585 N -1.39 2.47 -4.76 1.62 8.00 -0.37 -4.95 116.55 117.16 1j3k n ASP 585 Ca 0.10 -1.82 -0.39 0.00 0.71 0.00 0.00 54.79 53.38 1j3k n ASP 585 Cb 0.31 -0.09 -0.04 0.00 -0.02 0.00 0.00 41.12 41.28 1j3k n ASP 585 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j3k s PHE 586 N -1.83 3.56 0.27 1.24 0.08 -1.26 -4.99 117.98 115.06 1j3k s PHE 586 Ca 0.34 1.71 0.04 0.00 0.12 0.00 0.00 56.93 59.15 1j3k s PHE 586 Cb 0.20 -3.22 -0.06 0.00 -0.57 0.00 0.00 43.02 39.38 1j3k s PHE 586 CO 0.30 -0.45 0.01 0.95 -0.10 0.00 0.00 175.22 175.93 1j3k s THR 587 N -1.27 1.22 0.43 0.64 -4.23 -1.26 -5.05 115.64 106.13 1j3k s THR 587 Ca 0.47 -2.04 0.16 0.00 -1.18 0.00 0.00 61.69 59.09 1j3k s THR 587 Cb -0.29 -2.53 0.35 0.00 1.34 0.00 0.00 72.50 71.37 1j3k s THR 587 CO 0.37 -0.20 1.94 -0.29 -0.54 0.00 0.00 174.62 175.90 1j3k h ILE 588 N 2.30 0.82 0.00 2.99 6.09 -1.96 -1.51 117.51 126.24 1j3k h ILE 588 Ca -0.40 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 1j3k h ILE 588 Cb 1.23 0.39 0.00 0.00 0.47 0.00 0.00 36.82 38.91 1j3k h ILE 588 CO 0.67 0.07 0.00 -1.54 -3.07 0.00 0.00 178.15 174.28 1j3k n SER 589 N -4.47 0.00 -0.07 2.19 3.41 -1.26 -3.22 113.62 110.20 1j3k n SER 589 Ca 0.13 0.12 0.11 0.00 -0.26 0.00 0.00 58.87 58.97 1j3k n SER 589 Cb 0.49 -0.35 0.60 0.00 -0.26 0.00 0.00 64.21 64.68 1j3k n SER 589 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1j3k n ASP 590 N -1.35 0.20 -4.31 4.04 8.00 -0.57 -4.81 116.55 117.76 1j3k n ASP 590 Ca 0.10 -1.38 -0.31 0.00 0.71 0.00 0.00 54.79 53.90 1j3k n ASP 590 Cb 0.22 -0.01 -0.16 0.00 -0.02 0.00 0.00 41.12 41.15 1j3k n ASP 590 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1j3k s PHE 591 N -1.98 2.41 -0.03 1.24 0.40 -1.20 -1.23 117.98 117.59 1j3k s PHE 591 Ca 0.32 -0.55 -0.01 0.00 -0.60 0.00 0.00 56.93 56.09 1j3k s PHE 591 Cb 0.15 -1.56 0.03 0.00 0.51 0.00 0.00 43.02 42.15 1j3k s PHE 591 CO 0.25 -0.10 0.06 0.99 0.70 0.00 0.00 175.22 177.12 1j3k s THR 592 N -0.41 -0.06 -0.21 0.64 2.01 -0.29 -5.00 115.64 112.33 1j3k s THR 592 Ca 0.04 0.22 -0.07 0.00 0.31 0.00 0.00 61.69 62.18 1j3k s THR 592 Cb -0.12 -0.13 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 1j3k s THR 592 CO 0.01 0.09 0.06 -0.63 -0.69 0.00 0.00 174.62 173.46 1j3k s ILE 593 N 1.15 4.59 0.08 1.82 -1.09 -1.26 0.11 121.20 126.60 1j3k s ILE 593 Ca -0.08 -0.09 0.09 0.00 -2.23 0.00 0.00 60.65 58.33 1j3k s ILE 593 Cb -0.13 -3.09 -0.04 0.00 -1.58 0.00 0.00 42.46 37.62 1j3k s ILE 593 CO -0.04 0.41 -0.20 -1.10 -1.23 0.00 0.00 174.94 172.78 1j3k s GLN 594 N 0.83 1.84 -1.49 2.79 -0.21 -0.18 -4.77 119.66 118.47 1j3k s GLN 594 Ca 0.03 -1.12 -0.12 0.00 0.02 0.00 0.00 55.36 54.17 1j3k s GLN 594 Cb -0.14 -2.09 0.07 0.00 1.00 0.00 0.00 33.01 31.85 1j3k s GLN 594 CO 0.02 0.50 1.01 0.09 -2.12 0.00 0.00 175.29 174.79 1j3k n ASN 595 N 1.22 -4.88 -4.59 5.90 3.02 -1.26 -1.77 115.26 112.90 1j3k n ASN 595 Ca -0.16 -0.73 -0.43 0.00 -0.03 0.00 0.00 54.58 53.22 1j3k n ASN 595 Cb 0.52 -4.13 -0.02 0.00 -0.61 0.00 0.00 39.78 35.55 1j3k n ASN 595 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1j3k s TYR 596 N -3.33 2.70 -0.18 3.10 5.04 -1.26 -4.24 117.35 119.18 1j3k s TYR 596 Ca 0.61 0.63 -0.04 0.00 -2.44 0.00 0.00 57.07 55.83 1j3k s TYR 596 Cb -0.30 -4.45 -0.02 0.00 0.35 0.00 0.00 41.96 37.54 1j3k s TYR 596 CO 0.81 -1.44 -0.03 0.08 -1.34 0.00 0.00 175.55 173.62 1j3k s VAL 597 N 4.73 3.77 0.17 3.14 1.01 -1.26 -5.06 120.40 126.90 1j3k s VAL 597 Ca 0.48 -0.39 -0.09 0.00 0.00 0.00 0.00 61.98 61.99 1j3k s VAL 597 Cb -0.08 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 1j3k s VAL 597 CO 0.30 0.46 0.29 -1.38 0.00 0.00 0.00 175.10 174.77 1j3k s HIS 598 N 0.75 0.43 0.88 5.22 -3.43 -1.26 -4.73 115.29 113.15 1j3k s HIS 598 Ca -0.01 -0.79 -0.12 0.00 -0.80 0.00 0.00 55.06 53.33 1j3k s HIS 598 Cb -0.14 -0.07 0.16 0.00 -1.43 0.00 0.00 32.58 31.09 1j3k s HIS 598 CO 0.02 -0.73 1.22 -1.01 -2.00 0.00 0.00 174.74 172.24 1j3k s HIS 599 N -3.98 1.92 0.52 0.38 3.76 -0.38 -4.97 115.29 112.54 1j3k s HIS 599 Ca 0.18 0.29 -0.20 0.00 -0.15 0.00 0.00 55.06 55.19 1j3k s HIS 599 Cb 0.03 -3.76 -0.07 0.00 1.11 0.00 0.00 32.58 29.89 1j3k s HIS 599 CO 0.01 -2.25 1.09 -1.83 -0.85 0.00 0.00 174.74 170.91 1j3k s GLU 600 N -5.66 3.54 0.90 1.40 -1.05 -1.26 -3.31 118.70 113.26 1j3k s GLU 600 Ca 0.70 1.52 -0.13 0.00 -0.15 0.00 0.00 54.97 56.90 1j3k s GLU 600 Cb -0.06 -2.05 0.04 0.00 -0.44 0.00 0.00 34.13 31.63 1j3k s GLU 600 CO 0.50 -0.68 0.57 0.36 0.95 0.00 0.00 175.26 176.96 1j3k n LYS 601 N -1.15 -0.19 -3.79 -4.83 2.85 -1.26 -3.98 118.16 105.81 1j3k n LYS 601 Ca 0.11 -0.01 -0.14 0.00 -1.05 0.00 0.00 58.31 57.22 1j3k n LYS 601 Cb 0.52 -1.96 -0.15 0.00 -0.65 0.00 0.00 35.03 32.79 1j3k n LYS 601 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1j3k s ILE 602 N -2.34 -0.05 -0.44 0.58 1.01 -1.26 -4.84 121.20 113.87 1j3k s ILE 602 Ca 0.60 0.17 -0.21 0.00 0.00 0.00 0.00 60.65 61.22 1j3k s ILE 602 Cb -0.24 -0.10 0.02 0.00 0.01 0.00 0.00 42.46 42.15 1j3k s ILE 602 CO 0.64 0.07 0.63 -0.44 0.00 0.00 0.00 174.94 175.84 1j3k s SER 603 N 0.87 6.32 0.46 3.58 0.01 -1.26 -4.93 113.70 118.75 1j3k s SER 603 Ca -0.07 -0.35 0.16 0.00 1.31 0.00 0.00 55.95 57.00 1j3k s SER 603 Cb -0.10 -2.32 1.12 0.00 0.21 0.00 0.00 66.02 64.93 1j3k s SER 603 CO -0.03 -0.77 2.01 0.24 0.41 0.00 0.00 173.24 175.10 1j3k h MET 604 N 8.86 0.28 -6.63 12.44 0.00 -1.94 -3.43 114.93 124.52 1j3k h MET 604 Ca -0.25 -0.02 -0.53 0.00 0.00 0.00 0.00 59.70 58.90 1j3k h MET 604 Cb 1.10 -0.06 0.03 0.00 0.00 0.00 0.00 31.60 32.67 1j3k h MET 604 CO 0.89 0.19 0.71 0.34 0.00 0.00 0.00 176.91 179.04 1j3k s ASP 605 N -6.37 6.81 0.29 1.22 -1.08 -1.26 -4.10 116.67 112.17 1j3k s ASP 605 Ca -0.07 2.42 0.07 0.00 -0.52 0.00 0.00 52.55 54.45 1j3k s ASP 605 Cb 0.19 -2.60 0.42 0.00 -1.46 0.00 0.00 42.92 39.47 1j3k s ASP 605 CO 0.73 -0.62 1.68 0.24 0.52 0.00 0.00 175.17 177.72 1j3k h MET 606 N 6.03 0.22 0.00 4.34 2.86 -1.79 -2.49 114.93 124.10 1j3k h MET 606 Ca -0.44 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.09 1j3k h MET 606 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1j3k h MET 606 CO 0.82 0.63 -0.21 0.00 1.06 0.00 0.00 176.91 179.22 1j3k h ALA 607 N 1.35 0.89 0.00 6.32 0.00 -1.91 -3.53 119.26 122.37 1j3k h ALA 607 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j3k h ALA 607 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1j3k h ALA 607 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.32