#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfi s HIS 357 N 0.00 0.88 0.17 0.66 3.76 -1.26 -5.15 115.29 114.36 1jfi s HIS 357 Ca 0.00 -0.66 -0.14 0.00 -0.15 0.00 0.00 55.06 54.11 1jfi s HIS 357 Cb 0.00 -0.50 -0.07 0.00 1.11 0.00 0.00 32.58 33.11 1jfi s HIS 357 CO 0.00 -0.07 0.57 1.41 -0.85 0.00 0.00 174.74 175.80 1jfi s MET 358 N -2.59 3.98 0.31 1.40 1.75 -1.26 -4.96 119.30 117.92 1jfi s MET 358 Ca 0.01 0.50 0.04 0.00 -1.25 0.00 0.00 55.69 54.99 1jfi s MET 358 Cb -0.04 -2.87 0.82 0.00 2.84 0.00 0.00 34.83 35.58 1jfi s MET 358 CO -0.01 0.44 1.59 0.66 -0.65 0.00 0.00 175.02 177.04 1jfi h SER 359 N 3.36 -0.29 0.00 1.11 4.64 -1.97 -3.44 113.55 116.97 1jfi h SER 359 Ca -0.48 0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1jfi h SER 359 Cb 1.19 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1jfi h SER 359 CO 0.66 -0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 1jfi n GLY 360 N -1.44 0.59 3.64 -0.77 0.00 -1.26 -5.03 105.19 100.92 1jfi n GLY 360 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 1jfi n GLY 360 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jfi s ILE 361 N -2.19 5.04 -0.27 -0.61 1.01 -1.26 -5.08 121.20 117.83 1jfi s ILE 361 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.66 1jfi s ILE 361 Cb 0.00 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 39.17 1jfi s ILE 361 CO 0.00 0.41 0.03 -0.69 0.00 0.00 0.00 174.94 174.68 1jfi s VAL 362 N 0.72 3.61 0.40 2.92 1.01 -1.26 -5.00 120.40 122.80 1jfi s VAL 362 Ca 0.06 -0.75 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 1jfi s VAL 362 Cb -0.13 -2.83 -0.10 0.00 0.00 0.00 0.00 36.38 33.32 1jfi s VAL 362 CO 0.02 0.15 1.45 -2.84 0.00 0.00 0.00 175.10 173.88 1jfi s PRO 363 N 1.45 3.96 -0.05 2.72 0.02 -1.26 -4.93 135.00 136.91 1jfi s PRO 363 Ca 0.02 2.48 -0.03 0.00 0.02 0.00 0.00 61.00 63.50 1jfi s PRO 363 Cb -0.17 -2.85 -0.04 0.00 0.02 0.00 0.00 34.50 31.46 1jfi s PRO 363 CO -0.00 -0.62 0.09 -0.65 -0.33 0.00 0.00 177.00 175.49 1jfi s GLN 364 N -2.22 3.19 0.07 5.54 -1.52 -0.43 -4.80 119.66 119.49 1jfi s GLN 364 Ca 0.56 -0.36 -0.30 0.00 -1.95 0.00 0.00 55.36 53.30 1jfi s GLN 364 Cb -0.45 -2.96 -0.06 0.00 -0.22 0.00 0.00 33.01 29.33 1jfi s GLN 364 CO 0.60 0.70 1.17 -0.51 -0.25 0.00 0.00 175.29 177.00 1jfi s LEU 365 N -1.41 4.38 -0.01 2.90 1.43 -1.26 -1.01 118.68 123.71 1jfi s LEU 365 Ca 0.19 2.00 0.06 0.00 -1.03 0.00 0.00 54.13 55.35 1jfi s LEU 365 Cb -0.12 -3.58 -0.09 0.00 0.03 0.00 0.00 46.19 42.43 1jfi s LEU 365 CO 0.10 -0.43 0.12 0.00 0.23 0.00 0.00 176.35 176.37 1jfi n GLN 366 N 3.73 0.17 -3.51 1.70 1.13 0.02 -4.83 117.38 115.79 1jfi n GLN 366 Ca 0.08 -0.05 -0.17 0.00 -1.94 0.00 0.00 57.00 54.92 1jfi n GLN 366 Cb 0.47 -1.13 -0.05 0.00 0.11 0.00 0.00 30.24 29.63 1jfi n GLN 366 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1jfi s ASN 367 N -2.64 -0.63 -0.13 1.08 2.47 -1.20 -4.73 114.94 109.16 1jfi s ASN 367 Ca -0.02 0.61 -0.07 0.00 0.42 0.00 0.00 52.86 53.80 1jfi s ASN 367 Cb 0.04 0.53 0.05 0.00 -1.45 0.00 0.00 41.25 40.42 1jfi s ASN 367 CO 0.23 -0.64 0.31 -0.63 -3.72 0.00 0.00 177.10 172.65 1jfi s ILE 368 N -1.51 -0.03 -0.22 -5.21 1.01 -0.80 -1.26 121.20 113.17 1jfi s ILE 368 Ca -0.09 0.11 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 1jfi s ILE 368 Cb -0.00 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 42.01 1jfi s ILE 368 CO 0.07 0.04 -0.08 -0.69 0.00 0.00 0.00 174.94 174.28 1jfi s VAL 369 N 1.15 2.96 0.37 2.92 1.01 -0.15 -2.92 120.40 125.74 1jfi s VAL 369 Ca -0.08 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.19 1jfi s VAL 369 Cb -0.09 -2.39 -0.07 0.00 0.00 0.00 0.00 36.38 33.83 1jfi s VAL 369 CO -0.09 0.36 0.03 -0.94 0.00 0.00 0.00 175.10 174.46 1jfi s SER 370 N 1.39 3.20 0.02 3.32 1.04 -0.18 0.81 113.70 123.29 1jfi s SER 370 Ca 0.04 -1.38 -0.00 0.00 0.48 0.00 0.00 55.95 55.09 1jfi s SER 370 Cb -0.15 -0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.70 1jfi s SER 370 CO -0.05 -0.52 -0.02 0.42 0.98 0.00 0.00 173.24 174.04 1jfi s THR 371 N -2.97 0.09 -0.04 2.02 -4.23 -0.71 -0.93 115.64 108.87 1jfi s THR 371 Ca 0.36 -0.75 -0.11 0.00 -1.18 0.00 0.00 61.69 60.01 1jfi s THR 371 Cb 0.09 -0.23 0.02 0.00 1.34 0.00 0.00 72.50 73.72 1jfi s THR 371 CO 0.17 -0.41 0.24 0.54 -0.54 0.00 0.00 174.62 174.62 1jfi s VAL 372 N -1.22 0.04 -0.31 2.29 0.11 -0.95 -1.26 120.40 119.10 1jfi s VAL 372 Ca -0.13 -0.35 -0.07 0.00 -2.93 0.00 0.00 61.98 58.50 1jfi s VAL 372 Cb -0.08 -0.47 0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1jfi s VAL 372 CO -0.01 -0.19 0.09 0.21 -3.33 0.00 0.00 175.10 171.87 1jfi s ASN 373 N -0.77 5.17 0.09 3.54 2.47 0.11 -1.05 114.94 124.51 1jfi s ASN 373 Ca -0.09 -0.82 0.18 0.00 0.42 0.00 0.00 52.86 52.56 1jfi s ASN 373 Cb -0.05 -1.88 0.77 0.00 -1.45 0.00 0.00 41.25 38.65 1jfi s ASN 373 CO 0.02 -0.23 1.58 0.18 -3.72 0.00 0.00 177.10 174.93 1jfi n LEU 374 N 4.86 0.25 -3.53 3.21 4.77 -0.89 -1.90 117.00 123.76 1jfi n LEU 374 Ca -0.14 0.56 -0.19 0.00 -0.03 0.00 0.00 56.01 56.21 1jfi n LEU 374 Cb 0.47 -0.52 0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1jfi n LEU 374 CO 0.32 -0.34 0.03 0.61 -1.33 0.00 0.00 177.39 176.68 1jfi n GLY 375 N 0.10 -0.38 3.65 -0.72 0.00 -1.26 -1.80 105.19 104.78 1jfi n GLY 375 Ca 0.03 0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.19 1jfi n GLY 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfi n LYS 377 N 2.56 1.24 -4.33 0.00 4.01 -1.26 -3.76 118.16 116.62 1jfi n LYS 377 Ca -0.15 0.45 -0.21 0.00 -0.51 0.00 0.00 58.31 57.90 1jfi n LYS 377 Cb 0.56 -2.10 -0.13 0.00 -0.51 0.00 0.00 35.03 32.85 1jfi n LYS 377 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1jfi s LEU 378 N -1.05 2.23 -0.42 -0.35 1.02 -0.00 -4.89 118.68 115.22 1jfi s LEU 378 Ca 0.67 -0.56 -0.07 0.00 0.02 0.00 0.00 54.13 54.18 1jfi s LEU 378 Cb -0.50 -0.69 0.09 0.00 0.02 0.00 0.00 46.19 45.10 1jfi s LEU 378 CO 0.54 0.03 0.24 -0.62 0.02 0.00 0.00 176.35 176.56 1jfi s ASP 379 N -1.48 5.52 0.29 2.29 2.15 -1.26 -4.64 116.67 119.54 1jfi s ASP 379 Ca 0.02 -1.65 -0.02 0.00 0.43 0.00 0.00 52.55 51.33 1jfi s ASP 379 Cb -0.09 -1.94 0.42 0.00 -0.30 0.00 0.00 42.92 41.01 1jfi s ASP 379 CO 0.02 -0.54 1.93 -0.07 -0.17 0.00 0.00 175.17 176.34 1jfi h LEU 380 N 8.31 0.92 -0.16 -1.34 -0.00 -1.95 -1.72 115.31 119.38 1jfi h LEU 380 Ca -0.21 -0.06 0.05 0.00 -0.00 0.00 0.00 57.88 57.67 1jfi h LEU 380 Cb 1.07 -0.23 -0.07 0.00 -0.00 0.00 0.00 40.66 41.43 1jfi h LEU 380 CO 0.74 0.72 -0.36 0.11 -0.00 0.00 0.00 178.44 179.65 1jfi h LYS 381 N 1.06 -0.40 -0.14 1.13 1.79 -1.99 0.35 116.57 118.37 1jfi h LYS 381 Ca 0.27 0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.81 1jfi h LYS 381 Cb -0.03 0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.67 1jfi h LYS 381 CO -0.05 -0.27 -0.12 1.15 -1.08 0.00 0.00 179.45 179.09 1jfi h THR 382 N -0.42 0.67 -0.34 -0.16 2.02 -1.87 -0.23 112.91 112.58 1jfi h THR 382 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1jfi h THR 382 Cb 0.58 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1jfi h THR 382 CO -0.39 0.00 0.22 0.40 0.37 0.00 0.00 175.52 176.11 1jfi h ILE 383 N -0.13 1.10 -0.24 3.11 2.04 -0.67 -2.24 117.51 120.48 1jfi h ILE 383 Ca 0.09 -0.21 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1jfi h ILE 383 Cb 0.27 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1jfi h ILE 383 CO -0.22 0.10 -0.02 0.00 0.00 0.00 0.00 178.15 178.01 1jfi h ALA 384 N 1.11 1.52 0.21 1.87 0.00 -0.11 0.44 119.26 124.29 1jfi h ALA 384 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jfi h ALA 384 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1jfi h ALA 384 CO -0.03 0.35 -0.20 1.25 0.00 0.00 0.00 179.25 180.62 1jfi h LEU 385 N 0.35 -0.52 0.00 0.00 5.85 -0.42 -3.35 115.31 117.21 1jfi h LEU 385 Ca 0.08 0.05 -0.33 0.00 0.84 0.00 0.00 57.88 58.52 1jfi h LEU 385 Cb 0.27 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 1jfi h LEU 385 CO 0.01 -0.29 -2.30 -2.11 -0.34 0.00 0.00 178.44 173.40 1jfi n ARG 386 N -5.32 0.68 -1.66 1.25 0.00 -1.12 -4.95 116.66 105.54 1jfi n ARG 386 Ca -0.08 -0.01 -0.47 0.00 -0.00 0.00 0.00 57.85 57.30 1jfi n ARG 386 Cb 0.23 -1.54 -0.04 0.00 -0.00 0.00 0.00 32.46 31.11 1jfi n ARG 386 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1jfi n ALA 387 N -2.69 1.09 -1.00 2.89 0.00 0.13 -4.92 120.51 116.02 1jfi n ALA 387 Ca -0.29 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1jfi n ALA 387 Cb 1.10 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 18.22 1jfi n ALA 387 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jfi n ARG 388 N 3.42 0.00 -1.83 0.00 1.74 -1.26 -3.59 116.66 115.14 1jfi n ARG 388 Ca 0.17 0.18 -0.40 0.00 -0.77 0.00 0.00 57.85 57.03 1jfi n ARG 388 Cb 0.28 -0.91 -0.01 0.00 -1.02 0.00 0.00 32.46 30.80 1jfi n ARG 388 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1jfi n ASN 389 N -0.59 7.81 -4.27 0.55 5.03 -1.26 -4.93 115.26 117.60 1jfi n ASN 389 Ca 0.00 -2.97 -0.31 0.00 0.87 0.00 0.00 54.58 52.17 1jfi n ASN 389 Cb 0.00 -1.44 -0.16 0.00 -1.02 0.00 0.00 39.78 37.16 1jfi n ASN 389 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jfi s ALA 390 N 0.07 2.10 0.15 5.41 0.00 -1.24 -3.00 121.76 125.25 1jfi s ALA 390 Ca 0.57 -1.04 0.09 0.00 0.00 0.00 0.00 51.96 51.58 1jfi s ALA 390 Cb 0.17 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1jfi s ALA 390 CO -0.08 0.44 -0.16 -1.21 0.00 0.00 0.00 175.76 174.75 1jfi s GLU 391 N -0.29 1.82 -0.29 0.00 2.02 -0.88 -4.95 118.70 116.12 1jfi s GLU 391 Ca 0.01 -1.27 -0.14 0.00 0.02 0.00 0.00 54.97 53.59 1jfi s GLU 391 Cb -0.12 -2.08 0.13 0.00 0.10 0.00 0.00 34.13 32.16 1jfi s GLU 391 CO 0.02 0.45 0.81 -0.47 0.02 0.00 0.00 175.26 176.09 1jfi s TYR 392 N -1.42 -0.95 -0.43 1.61 5.04 -1.26 -1.46 117.35 118.48 1jfi s TYR 392 Ca 0.21 1.76 0.05 0.00 -2.44 0.00 0.00 57.07 56.64 1jfi s TYR 392 Cb -0.10 0.57 0.18 0.00 0.35 0.00 0.00 41.96 42.96 1jfi s TYR 392 CO 0.12 -0.47 0.42 0.09 -1.34 0.00 0.00 175.55 174.37 1jfi n ASN 393 N 4.65 -1.06 0.00 4.32 4.13 -1.26 -4.94 115.26 121.11 1jfi n ASN 393 Ca -0.15 -2.49 0.00 0.00 1.68 0.00 0.00 54.58 53.62 1jfi n ASN 393 Cb 0.54 -0.10 0.01 0.00 -1.54 0.00 0.00 39.78 38.70 1jfi n ASN 393 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1jfi n PRO 394 N 2.80 0.00 0.12 3.52 -0.04 -1.25 -0.09 135.00 140.06 1jfi n PRO 394 Ca 0.27 0.37 -0.13 0.00 -0.04 0.00 0.00 63.50 63.97 1jfi n PRO 394 Cb 0.50 -1.64 -0.08 0.00 -0.04 0.00 0.00 33.50 32.23 1jfi n PRO 394 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1jfi h LYS 395 N 0.00 -0.30 0.04 0.54 1.63 -2.01 -3.39 116.57 113.08 1jfi h LYS 395 Ca 0.00 0.02 -0.32 0.00 -0.85 0.00 0.00 60.65 59.50 1jfi h LYS 395 Cb 0.27 0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.93 1jfi h LYS 395 CO 0.00 0.02 -1.76 0.54 -3.45 0.00 0.00 179.45 174.80 1jfi n ARG 396 N -5.08 0.63 -3.78 1.90 5.12 0.87 -4.96 116.66 111.37 1jfi n ARG 396 Ca -0.09 0.41 -0.18 0.00 -1.93 0.00 0.00 57.85 56.06 1jfi n ARG 396 Cb 0.24 -1.68 -0.17 0.00 -1.16 0.00 0.00 32.46 29.69 1jfi n ARG 396 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1jfi s PHE 397 N -2.46 0.17 -0.15 -1.55 5.36 0.15 -5.06 117.98 114.44 1jfi s PHE 397 Ca -0.29 0.11 -0.05 0.00 -0.96 0.00 0.00 56.93 55.75 1jfi s PHE 397 Cb 0.08 -0.41 -0.18 0.00 -0.34 0.00 0.00 43.02 42.17 1jfi s PHE 397 CO 0.63 -0.15 2.70 0.00 -1.46 0.00 0.00 175.22 176.94 1jfi n ALA 398 N 4.63 4.97 -3.55 11.12 0.00 -1.26 -3.85 120.51 132.56 1jfi n ALA 398 Ca -0.17 -1.47 -0.12 0.00 0.00 0.00 0.00 53.44 51.67 1jfi n ALA 398 Cb 0.50 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.49 1jfi n ALA 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jfi s ALA 399 N 1.75 -1.87 0.36 0.00 0.00 -1.26 -4.68 121.76 116.06 1jfi s ALA 399 Ca 0.48 1.43 -0.25 0.00 0.00 0.00 0.00 51.96 53.62 1jfi s ALA 399 Cb 0.22 -0.36 -0.10 0.00 0.00 0.00 0.00 23.12 22.88 1jfi s ALA 399 CO -0.01 -0.38 0.98 0.08 0.00 0.00 0.00 175.76 176.44 1jfi s VAL 400 N -1.40 4.05 -0.44 0.00 1.01 0.01 -4.63 120.40 119.00 1jfi s VAL 400 Ca -0.04 1.60 0.04 0.00 0.00 0.00 0.00 61.98 63.58 1jfi s VAL 400 Cb -0.00 -3.84 0.12 0.00 0.00 0.00 0.00 36.38 32.65 1jfi s VAL 400 CO 0.03 0.04 0.17 -0.63 0.00 0.00 0.00 175.10 174.71 1jfi s ILE 401 N -1.70 2.45 0.13 2.22 1.01 -0.54 -0.93 121.20 123.84 1jfi s ILE 401 Ca 0.54 -2.91 0.03 0.00 0.00 0.00 0.00 60.65 58.30 1jfi s ILE 401 Cb -0.19 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 1jfi s ILE 401 CO 0.24 -0.72 0.24 -0.32 0.00 0.00 0.00 174.94 174.38 1jfi s MET 402 N 0.21 3.32 0.06 2.79 1.75 -0.83 -2.07 119.30 124.53 1jfi s MET 402 Ca 0.15 -0.62 0.00 0.00 -1.25 0.00 0.00 55.69 53.96 1jfi s MET 402 Cb -0.23 -2.91 -0.04 0.00 2.84 0.00 0.00 34.83 34.49 1jfi s MET 402 CO -0.03 0.53 -0.04 1.03 -0.65 0.00 0.00 175.02 175.85 1jfi s ARG 403 N -3.05 0.66 0.00 4.11 0.52 -1.16 -0.23 118.95 119.79 1jfi s ARG 403 Ca 0.34 -1.19 -0.06 0.00 -0.52 0.00 0.00 55.73 54.30 1jfi s ARG 403 Cb -0.11 0.05 -0.00 0.00 0.52 0.00 0.00 34.95 35.40 1jfi s ARG 403 CO 0.27 -0.07 0.10 0.96 0.02 0.00 0.00 175.30 176.59 1jfi s ILE 404 N -3.53 0.09 0.19 1.52 -4.36 -1.19 -4.82 121.20 109.09 1jfi s ILE 404 Ca 0.06 -0.71 0.01 0.00 -0.26 0.00 0.00 60.65 59.75 1jfi s ILE 404 Cb 0.05 -0.39 -0.11 0.00 1.25 0.00 0.00 42.46 43.26 1jfi s ILE 404 CO -0.07 -0.39 1.44 0.08 0.24 0.00 0.00 174.94 176.24 1jfi h ARG 405 N 4.40 0.29 -2.63 0.37 -0.00 -1.96 -2.34 114.38 112.50 1jfi h ARG 405 Ca -0.31 -0.25 -0.28 0.00 -0.00 0.00 0.00 59.98 59.14 1jfi h ARG 405 Cb 1.20 0.06 -0.35 0.00 -0.00 0.00 0.00 29.97 30.88 1jfi h ARG 405 CO 0.41 0.92 -0.60 -2.00 -0.00 0.00 0.00 179.97 178.70 1jfi s GLU 406 N -3.50 0.17 0.35 0.08 2.56 -1.26 -1.77 118.70 115.33 1jfi s GLU 406 Ca -0.04 0.40 -0.27 0.00 0.00 0.00 0.00 54.97 55.06 1jfi s GLU 406 Cb 0.11 -0.77 -0.09 0.00 2.00 0.00 0.00 34.13 35.37 1jfi s GLU 406 CO 0.83 -0.52 1.17 -2.14 -0.56 0.00 0.00 175.26 174.03 1jfi s PRO 407 N 2.36 4.28 -0.26 4.30 0.02 -1.26 -4.92 135.00 139.52 1jfi s PRO 407 Ca 0.05 1.88 -0.28 0.00 0.02 0.00 0.00 61.00 62.67 1jfi s PRO 407 Cb -0.14 -2.88 -0.06 0.00 0.02 0.00 0.00 34.50 31.44 1jfi s PRO 407 CO -0.11 -0.14 2.24 -2.13 -0.33 0.00 0.00 177.00 176.54 1jfi n ARG 408 N 0.51 1.80 -1.82 5.54 0.63 -0.73 -4.68 116.66 117.92 1jfi n ARG 408 Ca 0.02 0.46 -0.02 0.00 -0.92 0.00 0.00 57.85 57.39 1jfi n ARG 408 Cb 0.45 -3.20 -0.00 0.00 0.45 0.00 0.00 32.46 30.16 1jfi n ARG 408 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1jfi n THR 409 N 7.75 0.00 -3.74 5.15 -2.24 -0.88 -4.30 114.28 116.03 1jfi n THR 409 Ca 0.32 -0.25 -0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1jfi n THR 409 Cb 0.44 0.17 -0.11 0.00 -2.10 0.00 0.00 70.33 68.73 1jfi n THR 409 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1jfi s THR 410 N -2.59 -0.01 0.05 4.28 2.01 -0.42 -3.18 115.64 115.79 1jfi s THR 410 Ca 0.04 0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.16 1jfi s THR 410 Cb -0.00 -0.52 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1jfi s THR 410 CO 0.03 0.01 -0.24 0.00 -0.69 0.00 0.00 174.62 173.73 1jfi s ALA 411 N 0.51 2.09 -0.26 7.40 0.00 0.68 -0.40 121.76 131.78 1jfi s ALA 411 Ca -0.03 -1.21 -0.04 0.00 0.00 0.00 0.00 51.96 50.69 1jfi s ALA 411 Cb -0.04 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.66 1jfi s ALA 411 CO -0.03 0.49 -0.01 -0.51 0.00 0.00 0.00 175.76 175.70 1jfi s LEU 412 N -1.26 3.32 -0.23 0.00 1.43 0.17 -1.96 118.68 120.16 1jfi s LEU 412 Ca 0.10 -0.66 -0.07 0.00 -1.03 0.00 0.00 54.13 52.48 1jfi s LEU 412 Cb -0.10 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1jfi s LEU 412 CO 0.02 -0.11 0.05 -0.63 0.23 0.00 0.00 176.35 175.91 1jfi s ILE 413 N 1.43 4.25 0.46 -0.59 1.01 -0.11 -0.93 121.20 126.73 1jfi s ILE 413 Ca 0.03 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.54 1jfi s ILE 413 Cb -0.16 -2.97 0.02 0.00 0.01 0.00 0.00 42.46 39.37 1jfi s ILE 413 CO -0.02 0.37 0.64 -0.36 0.00 0.00 0.00 174.94 175.57 1jfi s PHE 414 N 1.37 2.71 0.32 3.97 0.40 -0.63 -0.81 117.98 125.31 1jfi s PHE 414 Ca 0.05 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.08 1jfi s PHE 414 Cb -0.15 -2.46 0.55 0.00 0.51 0.00 0.00 43.02 41.47 1jfi s PHE 414 CO 0.03 -0.59 1.83 0.77 0.70 0.00 0.00 175.22 177.96 1jfi h SER 415 N 0.47 0.50 0.42 1.36 0.02 -1.83 -2.61 113.55 111.87 1jfi h SER 415 Ca -0.40 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1jfi h SER 415 Cb 1.28 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.69 1jfi h SER 415 CO 0.46 0.61 0.00 -1.54 -1.14 0.00 0.00 176.83 175.22 1jfi n SER 416 N -4.24 0.00 0.00 3.07 3.41 -1.26 -0.82 113.62 113.78 1jfi n SER 416 Ca 0.01 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 1jfi n SER 416 Cb 0.28 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 1jfi n SER 416 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jfi n GLY 417 N -0.21 3.31 3.76 5.00 0.00 -0.98 -4.11 105.19 111.96 1jfi n GLY 417 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 1jfi n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfi s LYS 418 N -0.74 3.10 0.03 1.61 1.02 -1.26 -2.09 119.74 121.42 1jfi s LYS 418 Ca 0.00 1.75 -0.01 0.00 0.02 0.00 0.00 55.97 57.72 1jfi s LYS 418 Cb 0.00 -1.96 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 1jfi s LYS 418 CO 0.00 -1.08 -0.00 1.41 -0.92 0.00 0.00 175.35 174.75 1jfi s MET 419 N -3.33 0.48 -0.09 1.68 -2.45 -0.21 -1.60 119.30 113.78 1jfi s MET 419 Ca 0.76 -0.86 0.03 0.00 -1.25 0.00 0.00 55.69 54.36 1jfi s MET 419 Cb -0.28 0.17 0.01 0.00 1.25 0.00 0.00 34.83 35.98 1jfi s MET 419 CO 0.31 -0.09 -0.16 0.08 1.05 0.00 0.00 175.02 176.21 1jfi s VAL 420 N -2.59 1.48 -0.16 10.11 1.01 -0.10 -2.25 120.40 127.90 1jfi s VAL 420 Ca -0.05 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1jfi s VAL 420 Cb -0.02 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 35.04 1jfi s VAL 420 CO -0.05 0.43 -0.16 0.00 0.00 0.00 0.00 175.10 175.32 1jfi s THR 422 N 0.87 1.45 0.00 0.00 -4.23 0.46 -1.01 115.64 113.18 1jfi s THR 422 Ca -0.05 -2.13 0.00 0.00 -1.18 0.00 0.00 61.69 58.33 1jfi s THR 422 Cb -0.15 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.68 1jfi s THR 422 CO -0.01 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.06 1jfi n GLY 423 N -0.32 3.05 3.64 3.99 0.00 -1.15 -1.30 105.19 113.11 1jfi n GLY 423 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 1jfi n GLY 423 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfi s ALA 424 N -2.71 1.17 -0.54 4.61 0.00 -1.25 -4.66 121.76 118.37 1jfi s ALA 424 Ca 0.00 0.49 0.05 0.00 0.00 0.00 0.00 51.96 52.51 1jfi s ALA 424 Cb 0.00 -3.42 0.11 0.00 0.00 0.00 0.00 23.12 19.81 1jfi s ALA 424 CO 0.00 -2.94 0.96 1.63 0.00 0.00 0.00 175.76 175.41 1jfi n LYS 425 N -4.35 1.75 -3.46 0.00 4.01 -1.26 -1.91 118.16 112.94 1jfi n LYS 425 Ca 0.11 -1.42 -0.10 0.00 -0.51 0.00 0.00 58.31 56.38 1jfi n LYS 425 Cb 0.52 -1.12 -0.02 0.00 -0.51 0.00 0.00 35.03 33.90 1jfi n LYS 425 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1jfi s SER 426 N -0.80 -0.48 0.12 4.39 1.04 -1.26 -4.64 113.70 112.08 1jfi s SER 426 Ca 0.10 -0.01 -0.20 0.00 0.48 0.00 0.00 55.95 56.32 1jfi s SER 426 Cb 0.05 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.63 1jfi s SER 426 CO 0.07 -0.83 1.75 -0.33 0.98 0.00 0.00 173.24 174.89 1jfi h GLU 427 N 2.00 0.16 0.00 4.02 3.07 -1.99 -1.67 114.58 120.16 1jfi h GLU 427 Ca -0.29 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.48 1jfi h GLU 427 Cb 1.28 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.14 1jfi h GLU 427 CO 0.35 0.10 -0.37 0.93 -1.40 0.00 0.00 179.01 178.62 1jfi h GLU 428 N 0.16 0.00 -0.45 2.33 4.39 -1.98 -2.28 114.58 116.74 1jfi h GLU 428 Ca 0.08 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 1jfi h GLU 428 Cb 0.05 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1jfi h GLU 428 CO -0.08 0.37 -0.22 0.37 -1.16 0.00 0.00 179.01 178.29 1jfi h GLN 429 N 0.00 0.93 -0.21 2.33 4.15 -1.90 -0.20 115.11 120.21 1jfi h GLN 429 Ca -0.00 -0.39 -0.11 0.00 0.77 0.00 0.00 58.65 58.91 1jfi h GLN 429 Cb 1.03 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.68 1jfi h GLN 429 CO 0.05 1.05 -0.35 1.03 -1.93 0.00 0.00 178.83 178.68 1jfi h SER 430 N 0.80 0.45 0.75 -0.69 0.87 -1.11 -1.59 113.55 113.04 1jfi h SER 430 Ca 0.11 -0.18 -0.14 0.00 -1.23 0.00 0.00 61.79 60.34 1jfi h SER 430 Cb 0.78 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.59 1jfi h SER 430 CO 0.06 0.77 -0.67 -0.09 -0.53 0.00 0.00 176.83 176.38 1jfi h ARG 431 N 0.37 0.00 0.21 2.24 2.43 -1.16 -1.55 114.38 116.93 1jfi h ARG 431 Ca 0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1jfi h ARG 431 Cb 0.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1jfi h ARG 431 CO 0.06 0.67 -0.10 1.25 -1.51 0.00 0.00 179.97 180.34 1jfi h LEU 432 N 0.00 -0.24 -0.76 3.80 5.85 -0.73 -2.14 115.31 121.10 1jfi h LEU 432 Ca -0.01 -0.28 0.14 0.00 0.84 0.00 0.00 57.88 58.57 1jfi h LEU 432 Cb 1.23 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.23 1jfi h LEU 432 CO 0.09 0.27 0.31 0.00 -0.34 0.00 0.00 178.44 178.77 1jfi h ALA 433 N -0.37 1.07 -0.98 1.25 0.00 -1.33 0.40 119.26 119.30 1jfi h ALA 433 Ca -0.03 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1jfi h ALA 433 Cb 0.51 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1jfi h ALA 433 CO 0.05 -0.20 0.63 0.00 0.00 0.00 0.00 179.25 179.73 1jfi h ALA 434 N 1.54 1.38 -0.40 0.00 0.00 -1.27 -1.30 119.26 119.20 1jfi h ALA 434 Ca 0.41 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.20 1jfi h ALA 434 Cb 0.62 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1jfi h ALA 434 CO -0.39 0.40 -0.17 0.00 0.00 0.00 0.00 179.25 179.09 1jfi h ARG 435 N 1.13 0.83 -0.68 0.00 3.08 0.42 -2.02 114.38 117.14 1jfi h ARG 435 Ca 0.43 -0.35 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1jfi h ARG 435 Cb 0.20 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1jfi h ARG 435 CO -0.18 0.98 0.33 0.87 -1.07 0.00 0.00 179.97 180.90 1jfi h LYS 436 N 0.64 0.96 -0.15 0.04 1.57 -0.49 0.65 116.57 119.79 1jfi h LYS 436 Ca 0.09 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1jfi h LYS 436 Cb 0.72 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1jfi h LYS 436 CO 0.05 0.73 -0.23 1.88 -0.57 0.00 0.00 179.45 181.31 1jfi h TYR 437 N 0.95 0.28 -0.27 -1.35 0.05 -1.10 -1.24 116.97 114.30 1jfi h TYR 437 Ca 0.24 -0.05 -0.11 0.00 0.05 0.00 0.00 58.73 58.86 1jfi h TYR 437 Cb 0.09 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 37.75 1jfi h TYR 437 CO 0.01 0.48 -0.27 0.00 -1.05 0.00 0.00 178.16 177.34 1jfi h ALA 438 N 1.52 0.39 0.00 3.88 0.00 -0.32 -2.11 119.26 122.62 1jfi h ALA 438 Ca 0.04 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1jfi h ALA 438 Cb 0.55 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1jfi h ALA 438 CO 0.04 0.39 -0.41 0.00 0.00 0.00 0.00 179.25 179.27 1jfi h ARG 439 N 0.38 0.00 0.41 0.00 2.47 -0.73 -0.62 114.38 116.29 1jfi h ARG 439 Ca 0.04 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 1jfi h ARG 439 Cb 0.83 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 1jfi h ARG 439 CO 0.07 0.41 -0.20 0.28 0.56 0.00 0.00 179.97 181.08 1jfi h VAL 440 N 0.00 0.50 -0.61 2.04 2.07 -1.07 0.20 116.25 119.38 1jfi h VAL 440 Ca -0.00 -0.50 0.13 0.00 0.82 0.00 0.00 66.70 67.15 1jfi h VAL 440 Cb 0.83 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1jfi h VAL 440 CO 0.05 0.08 0.42 0.58 0.02 0.00 0.00 177.57 178.72 1jfi h VAL 441 N -0.88 0.81 0.58 2.57 2.07 -1.27 -1.90 116.25 118.22 1jfi h VAL 441 Ca -0.06 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1jfi h VAL 441 Cb 0.56 0.53 0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1jfi h VAL 441 CO 0.09 0.05 -0.28 -0.61 0.02 0.00 0.00 177.57 176.84 1jfi h GLN 442 N 0.26 -0.75 0.00 1.57 4.15 -0.60 -3.06 115.11 116.69 1jfi h GLN 442 Ca 0.29 0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.76 1jfi h GLN 442 Cb 0.79 0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.65 1jfi h GLN 442 CO -0.06 -0.44 -0.01 0.87 -1.93 0.00 0.00 178.83 177.26 1jfi h LYS 443 N -0.98 0.00 0.00 1.69 1.57 -0.10 -0.80 116.57 117.95 1jfi h LYS 443 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1jfi h LYS 443 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1jfi h LYS 443 CO 0.13 0.01 0.00 1.28 -0.57 0.00 0.00 179.45 180.30 1jfi n LEU 444 N -4.26 0.00 -0.26 2.94 4.32 -0.76 -4.80 117.00 114.18 1jfi n LEU 444 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 1jfi n LEU 444 Cb 0.09 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1jfi n LEU 444 CO 0.32 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 1jfi n GLY 445 N 0.09 0.98 3.12 -0.72 0.00 -0.33 -5.02 105.19 103.32 1jfi n GLY 445 Ca 0.03 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 1jfi n GLY 445 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jfi s PHE 446 N -2.52 1.21 -0.57 1.61 0.08 -1.07 -5.04 117.98 111.67 1jfi s PHE 446 Ca 0.00 -0.29 -0.06 0.00 0.12 0.00 0.00 56.93 56.70 1jfi s PHE 446 Cb 0.00 -0.74 -0.06 0.00 -0.57 0.00 0.00 43.02 41.65 1jfi s PHE 446 CO 0.00 0.01 1.72 -2.30 -0.10 0.00 0.00 175.22 174.55 1jfi n PRO 447 N 2.29 1.29 -2.51 0.24 -0.02 -1.26 -4.33 135.00 130.71 1jfi n PRO 447 Ca -0.16 -1.16 -0.43 0.00 -2.02 0.00 0.00 63.50 59.73 1jfi n PRO 447 Cb 0.55 -2.35 -0.02 0.00 -0.02 0.00 0.00 33.50 31.66 1jfi n PRO 447 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jfi s ALA 448 N 4.19 3.23 0.60 3.55 0.00 -1.26 -4.71 121.76 127.37 1jfi s ALA 448 Ca 0.29 -0.19 0.09 0.00 0.00 0.00 0.00 51.96 52.15 1jfi s ALA 448 Cb 0.07 -3.84 0.10 0.00 0.00 0.00 0.00 23.12 19.45 1jfi s ALA 448 CO 0.00 -2.05 0.84 0.15 0.00 0.00 0.00 175.76 174.70 1jfi s LYS 449 N 4.37 2.19 -0.50 0.00 1.02 -0.74 -4.93 119.74 121.15 1jfi s LYS 449 Ca 0.53 -1.68 0.05 0.00 0.02 0.00 0.00 55.97 54.88 1jfi s LYS 449 Cb -0.12 -2.62 0.18 0.00 -0.52 0.00 0.00 37.83 34.75 1jfi s LYS 449 CO 0.27 -0.98 0.41 0.34 -0.92 0.00 0.00 175.35 174.47 1jfi n PHE 450 N -2.33 0.44 -4.07 3.18 7.35 -1.26 -4.39 117.46 116.37 1jfi n PHE 450 Ca 0.17 -3.63 -0.31 0.00 -0.76 0.00 0.00 57.45 52.91 1jfi n PHE 450 Cb 0.62 -0.05 -0.07 0.00 0.35 0.00 0.00 39.48 40.33 1jfi n PHE 450 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1jfi s LEU 451 N -0.54 3.83 -1.41 -2.13 1.43 -0.80 -4.75 118.68 114.31 1jfi s LEU 451 Ca 0.31 0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.40 1jfi s LEU 451 Cb 0.03 -2.42 0.00 0.00 0.03 0.00 0.00 46.19 43.84 1jfi s LEU 451 CO -0.18 0.21 0.34 0.47 0.23 0.00 0.00 176.35 177.41 1jfi n ASP 452 N 0.70 -0.65 -4.72 2.29 8.00 -1.26 -0.71 116.55 120.20 1jfi n ASP 452 Ca -0.10 -1.12 -0.42 0.00 0.71 0.00 0.00 54.79 53.86 1jfi n ASP 452 Cb 0.52 -2.50 -0.03 0.00 -0.02 0.00 0.00 41.12 39.09 1jfi n ASP 452 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1jfi s PHE 453 N -4.02 3.18 -0.07 1.24 5.36 -1.26 -4.52 117.98 117.89 1jfi s PHE 453 Ca 0.08 0.88 -0.03 0.00 -0.96 0.00 0.00 56.93 56.90 1jfi s PHE 453 Cb -0.04 -3.76 0.04 0.00 -0.34 0.00 0.00 43.02 38.92 1jfi s PHE 453 CO 0.93 -2.68 0.16 0.21 -1.46 0.00 0.00 175.22 172.38 1jfi s LYS 454 N 0.96 0.11 0.04 10.12 2.20 -0.39 -4.99 119.74 127.80 1jfi s LYS 454 Ca 0.65 0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 56.35 1jfi s LYS 454 Cb -0.39 -0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 35.72 1jfi s LYS 454 CO 0.32 -0.16 1.23 0.42 -0.36 0.00 0.00 175.35 176.80 1jfi s ILE 455 N 1.13 4.00 -0.08 5.43 -1.09 -1.26 -1.74 121.20 127.59 1jfi s ILE 455 Ca -0.09 1.42 0.16 0.00 -2.23 0.00 0.00 60.65 59.91 1jfi s ILE 455 Cb -0.11 -3.91 -0.24 0.00 -1.58 0.00 0.00 42.46 36.62 1jfi s ILE 455 CO -0.06 0.08 0.24 0.00 -1.23 0.00 0.00 174.94 173.97 1jfi n GLN 456 N 4.30 0.88 -3.57 2.79 1.13 0.24 -4.92 117.38 118.23 1jfi n GLN 456 Ca 0.10 -0.10 -0.14 0.00 -1.94 0.00 0.00 57.00 54.92 1jfi n GLN 456 Cb 0.46 -1.41 -0.06 0.00 0.11 0.00 0.00 30.24 29.33 1jfi n GLN 456 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1jfi s ASN 457 N -4.41 -0.59 -0.01 1.08 3.04 -0.81 -4.75 114.94 108.49 1jfi s ASN 457 Ca -0.07 0.84 0.01 0.00 0.04 0.00 0.00 52.86 53.69 1jfi s ASN 457 Cb 0.08 0.75 0.00 0.00 -1.54 0.00 0.00 41.25 40.55 1jfi s ASN 457 CO 0.69 -0.41 -0.04 -0.04 -3.04 0.00 0.00 177.10 174.26 1jfi s MET 458 N -0.62 0.40 -0.06 0.43 -1.94 -0.58 -0.98 119.30 115.94 1jfi s MET 458 Ca -0.05 -0.13 0.05 0.00 -1.71 0.00 0.00 55.69 53.85 1jfi s MET 458 Cb -0.02 -0.41 -0.01 0.00 2.01 0.00 0.00 34.83 36.40 1jfi s MET 458 CO 0.04 0.06 -0.22 0.08 -0.01 0.00 0.00 175.02 174.97 1jfi s VAL 459 N 0.08 2.30 0.19 -6.03 1.01 -0.39 -3.31 120.40 114.26 1jfi s VAL 459 Ca -0.00 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.04 1jfi s VAL 459 Cb -0.04 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1jfi s VAL 459 CO -0.00 0.57 -0.04 -0.83 0.00 0.00 0.00 175.10 174.79 1jfi s GLY 460 N -0.20 1.35 -0.05 4.51 0.00 0.10 -0.80 107.32 112.22 1jfi s GLY 460 Ca -0.02 -1.65 -0.27 0.00 0.00 0.00 0.00 44.72 42.79 1jfi s GLY 460 CO 0.03 -1.63 0.59 -1.35 0.00 0.00 0.00 173.10 170.74 1jfi s SER 461 N -3.25 -0.55 0.38 1.64 1.04 -0.18 -0.37 113.70 112.42 1jfi s SER 461 Ca 0.24 0.61 -0.14 0.00 0.48 0.00 0.00 55.95 57.14 1jfi s SER 461 Cb 0.04 0.54 0.04 0.00 0.10 0.00 0.00 66.02 66.74 1jfi s SER 461 CO 0.05 -0.55 0.73 0.00 0.98 0.00 0.00 173.24 174.46 1jfi s ASP 463 N -3.09 2.30 0.12 0.00 2.15 -1.26 -0.43 116.67 116.45 1jfi s ASP 463 Ca 0.18 -0.35 0.24 0.00 0.43 0.00 0.00 52.55 53.05 1jfi s ASP 463 Cb -0.04 -0.92 0.94 0.00 -0.30 0.00 0.00 42.92 42.60 1jfi s ASP 463 CO 0.13 -0.11 1.75 1.33 -0.17 0.00 0.00 175.17 178.10 1jfi n VAL 464 N 4.91 0.55 -3.06 1.11 0.24 0.15 -4.94 118.33 117.28 1jfi n VAL 464 Ca -0.13 0.01 -0.13 0.00 -2.04 0.00 0.00 64.34 62.05 1jfi n VAL 464 Cb 0.50 -0.76 0.06 0.00 -1.47 0.00 0.00 33.84 32.17 1jfi n VAL 464 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1jfi n LYS 465 N -1.88 -4.88 0.00 7.34 4.01 -1.26 -5.03 118.16 116.46 1jfi n LYS 465 Ca 0.05 0.60 0.00 0.00 -0.51 0.00 0.00 58.31 58.45 1jfi n LYS 465 Cb 0.31 -4.89 0.00 0.00 -0.51 0.00 0.00 35.03 29.94 1jfi n LYS 465 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 1jfi n PHE 466 N -3.42 0.00 -1.03 2.13 1.16 -1.26 -5.09 117.46 109.94 1jfi n PHE 466 Ca -0.16 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.07 1jfi n PHE 466 Cb 0.60 0.00 0.08 0.00 -1.61 0.00 0.00 39.48 38.56 1jfi n PHE 466 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 1jfi n PRO 467 N -0.03 0.00 -4.24 3.97 -0.04 -1.26 -3.87 135.00 129.53 1jfi n PRO 467 Ca 0.00 0.04 -0.18 0.00 -0.04 0.00 0.00 63.50 63.32 1jfi n PRO 467 Cb 0.00 -1.70 -0.15 0.00 -0.04 0.00 0.00 33.50 31.61 1jfi n PRO 467 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jfi s ILE 468 N -2.13 0.57 -1.47 0.52 1.01 0.30 -2.30 121.20 117.70 1jfi s ILE 468 Ca 0.58 -0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.85 1jfi s ILE 468 Cb -0.28 -0.51 0.03 0.00 0.01 0.00 0.00 42.46 41.71 1jfi s ILE 468 CO 0.65 0.18 2.30 0.54 0.00 0.00 0.00 174.94 178.61 1jfi n ARG 469 N 3.28 3.01 -0.29 2.79 1.74 0.49 -4.59 116.66 123.09 1jfi n ARG 469 Ca -0.17 -2.61 0.25 0.00 -0.77 0.00 0.00 57.85 54.54 1jfi n ARG 469 Cb 0.55 -3.21 0.57 0.00 -1.02 0.00 0.00 32.46 29.36 1jfi n ARG 469 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1jfi h LEU 470 N 9.50 0.32 -0.85 0.55 3.38 -1.96 -0.75 115.31 125.51 1jfi h LEU 470 Ca 0.60 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.78 1jfi h LEU 470 Cb 0.60 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.25 1jfi h LEU 470 CO 1.86 0.08 0.41 -0.33 0.09 0.00 0.00 178.44 180.55 1jfi h GLU 471 N 0.29 0.54 0.01 1.13 3.07 -1.98 -2.24 114.58 115.39 1jfi h GLU 471 Ca 0.55 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.35 1jfi h GLU 471 Cb 1.59 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 29.38 1jfi h GLU 471 CO -0.20 0.36 -0.15 0.78 -1.40 0.00 0.00 179.01 178.40 1jfi h GLY 472 N 0.55 0.01 -0.65 -3.84 0.00 -1.55 -3.35 103.07 94.25 1jfi h GLY 472 Ca 0.48 -0.04 0.35 0.00 0.00 0.00 0.00 47.33 48.12 1jfi h GLY 472 CO -0.40 0.03 0.68 -2.00 0.00 0.00 0.00 176.54 174.85 1jfi h LEU 473 N -0.97 0.41 0.00 3.11 7.12 -1.30 1.42 115.31 125.09 1jfi h LEU 473 Ca -0.04 0.15 0.00 0.00 0.13 0.00 0.00 57.88 58.12 1jfi h LEU 473 Cb 1.06 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 1jfi h LEU 473 CO -0.01 -0.12 0.00 0.55 -0.13 0.00 0.00 178.44 178.73 1jfi n VAL 474 N -4.85 0.13 -0.12 1.05 3.14 -0.86 -1.57 118.33 115.24 1jfi n VAL 474 Ca 0.32 0.03 -0.20 0.00 -2.96 0.00 0.00 64.34 61.53 1jfi n VAL 474 Cb 1.12 -0.63 -0.07 0.00 -1.06 0.00 0.00 33.84 33.20 1jfi n VAL 474 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 1jfi n LEU 475 N -1.16 1.94 -0.11 6.55 4.77 0.48 -2.95 117.00 126.52 1jfi n LEU 475 Ca 0.15 0.35 -0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1jfi n LEU 475 Cb 0.15 -0.80 0.27 0.00 -2.33 0.00 0.00 43.42 40.71 1jfi n LEU 475 CO 0.17 0.18 1.08 0.74 -1.33 0.00 0.00 177.39 178.23 1jfi h THR 476 N -1.00 1.19 -0.17 -5.08 2.02 -1.42 -3.07 112.91 105.38 1jfi h THR 476 Ca -0.38 -0.57 -0.12 0.00 0.77 0.00 0.00 66.41 66.11 1jfi h THR 476 Cb 1.31 0.53 -0.08 0.00 -1.74 0.00 0.00 68.15 68.16 1jfi h THR 476 CO -0.23 0.23 -0.48 1.41 0.37 0.00 0.00 175.52 176.81 1jfi n HIS 477 N -4.35 0.61 -0.36 3.16 8.25 -0.61 -4.87 115.22 117.05 1jfi n HIS 477 Ca 0.04 -1.64 0.29 0.00 -0.26 0.00 0.00 57.72 56.15 1jfi n HIS 477 Cb 0.15 -0.31 0.59 0.00 1.12 0.00 0.00 29.99 31.54 1jfi n HIS 477 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1jfi h GLN 478 N 1.20 0.23 0.00 -0.41 -0.00 -1.43 0.15 115.11 114.85 1jfi h GLN 478 Ca 0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1jfi h GLN 478 Cb 1.17 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 28.60 1jfi h GLN 478 CO 0.19 0.16 0.00 0.00 -0.00 0.00 0.00 178.83 179.17 1jfi n GLN 479 N -4.54 0.18 0.00 0.06 10.64 -1.26 -2.60 117.38 119.85 1jfi n GLN 479 Ca 0.28 0.13 0.00 0.00 -1.83 0.00 0.00 57.00 55.58 1jfi n GLN 479 Cb 1.09 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.97 1jfi n GLN 479 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1jfi n PHE 480 N -1.36 0.00 -4.42 2.61 3.72 0.47 -5.02 117.46 113.46 1jfi n PHE 480 Ca 0.07 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.23 1jfi n PHE 480 Cb 0.17 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.60 1jfi n PHE 480 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1jfi s SER 481 N -0.18 3.30 -0.31 4.37 0.01 -0.82 -0.68 113.70 119.39 1jfi s SER 481 Ca 0.00 -0.94 -0.01 0.00 1.31 0.00 0.00 55.95 56.32 1jfi s SER 481 Cb 0.00 -0.25 0.13 0.00 0.21 0.00 0.00 66.02 66.11 1jfi s SER 481 CO 0.00 0.04 0.25 -0.55 0.41 0.00 0.00 173.24 173.39 1jfi s SER 482 N -3.01 2.27 -0.24 2.44 0.15 -0.79 -4.84 113.70 109.68 1jfi s SER 482 Ca 0.23 -1.16 0.01 0.00 0.70 0.00 0.00 55.95 55.74 1jfi s SER 482 Cb -0.06 0.18 0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1jfi s SER 482 CO 0.11 -0.38 -0.12 -0.47 1.20 0.00 0.00 173.24 173.58 1jfi s TYR 483 N 2.04 3.10 -0.40 3.44 5.04 -1.26 -2.66 117.35 126.65 1jfi s TYR 483 Ca 0.11 -1.98 0.05 0.00 -2.44 0.00 0.00 57.07 52.82 1jfi s TYR 483 Cb -0.16 -1.96 0.20 0.00 0.35 0.00 0.00 41.96 40.39 1jfi s TYR 483 CO -0.27 -0.83 0.40 0.39 -1.34 0.00 0.00 175.55 173.90 1jfi n GLU 484 N 4.54 0.37 0.10 4.97 1.02 -1.26 -4.99 120.64 125.39 1jfi n GLU 484 Ca -0.16 -3.19 0.18 0.00 -0.02 0.00 0.00 57.16 53.97 1jfi n GLU 484 Cb 0.45 -1.52 0.57 0.00 -0.02 0.00 0.00 31.44 30.92 1jfi n GLU 484 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1jfi h PRO 485 N 5.08 0.00 -0.36 3.49 0.13 -1.87 1.02 132.00 139.48 1jfi h PRO 485 Ca 0.20 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.21 1jfi h PRO 485 Cb 0.90 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1jfi h PRO 485 CO 0.40 0.00 -0.27 0.93 -0.23 0.00 0.00 178.00 178.84 1jfi h GLU 486 N 0.00 0.75 0.00 0.86 4.39 -1.98 -3.33 114.58 115.27 1jfi h GLU 486 Ca 0.20 -0.32 -0.20 0.00 0.34 0.00 0.00 59.36 59.39 1jfi h GLU 486 Cb 1.62 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.22 1jfi h GLU 486 CO -0.00 0.93 -1.10 1.25 -1.16 0.00 0.00 179.01 178.93 1jfi h LEU 487 N 0.64 0.00 -7.39 1.33 6.46 0.49 -3.48 115.31 113.36 1jfi h LEU 487 Ca 0.08 -0.51 -0.26 0.00 -0.12 0.00 0.00 57.88 57.07 1jfi h LEU 487 Cb 0.78 0.00 -0.33 0.00 -0.73 0.00 0.00 40.66 40.38 1jfi h LEU 487 CO 0.06 1.39 -0.61 0.12 -0.62 0.00 0.00 178.44 178.78 1jfi s PHE 488 N -2.34 -0.16 0.57 1.25 5.36 0.43 -5.05 117.98 118.05 1jfi s PHE 488 Ca -0.27 0.49 0.27 0.00 -0.96 0.00 0.00 56.93 56.47 1jfi s PHE 488 Cb 0.05 -0.13 1.51 0.00 -0.34 0.00 0.00 43.02 44.10 1jfi s PHE 488 CO 0.57 -0.19 2.00 -1.00 -1.46 0.00 0.00 175.22 175.14 1jfi h PRO 489 N 7.50 0.00 -6.36 10.12 0.13 -1.82 -3.22 132.00 138.35 1jfi h PRO 489 Ca -0.37 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.30 1jfi h PRO 489 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1jfi h PRO 489 CO 0.36 0.00 -0.31 0.20 -0.23 0.00 0.00 178.00 178.03 1jfi s GLY 490 N -3.96 1.30 -0.08 1.56 0.00 -1.26 -4.68 107.32 100.20 1jfi s GLY 490 Ca -0.05 -1.09 -0.18 0.00 0.00 0.00 0.00 44.72 43.40 1jfi s GLY 490 CO 0.61 -1.06 0.48 -2.27 0.00 0.00 0.00 173.10 170.86 1jfi s LEU 491 N -4.16 4.34 -0.44 0.66 0.20 0.14 -4.63 118.68 114.78 1jfi s LEU 491 Ca 0.38 0.90 -0.15 0.00 0.69 0.00 0.00 54.13 55.94 1jfi s LEU 491 Cb -0.09 -2.71 0.05 0.00 -0.43 0.00 0.00 46.19 43.01 1jfi s LEU 491 CO 0.33 0.09 0.34 -0.63 -0.29 0.00 0.00 176.35 176.19 1jfi s ILE 492 N 0.14 5.23 -0.22 6.68 1.01 -1.09 -0.15 121.20 132.81 1jfi s ILE 492 Ca 0.26 -0.86 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 1jfi s ILE 492 Cb -0.16 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 1jfi s ILE 492 CO 0.12 -0.44 0.08 -0.47 0.00 0.00 0.00 174.94 174.24 1jfi s TYR 493 N 1.66 3.18 -0.42 3.97 6.14 0.51 -1.88 117.35 130.51 1jfi s TYR 493 Ca 0.04 -0.10 -0.11 0.00 0.64 0.00 0.00 57.07 57.55 1jfi s TYR 493 Cb -0.22 -2.18 0.07 0.00 0.42 0.00 0.00 41.96 40.05 1jfi s TYR 493 CO 0.08 -0.08 0.28 1.03 0.64 0.00 0.00 175.55 177.50 1jfi s ARG 494 N 1.03 2.72 0.11 4.97 0.52 0.14 0.32 118.95 128.77 1jfi s ARG 494 Ca 0.05 -1.36 -0.21 0.00 -0.52 0.00 0.00 55.73 53.68 1jfi s ARG 494 Cb -0.14 -3.84 -0.07 0.00 0.52 0.00 0.00 34.95 31.42 1jfi s ARG 494 CO 0.03 -0.92 0.64 1.41 0.02 0.00 0.00 175.30 176.49 1jfi s MET 495 N 1.49 4.32 -0.06 3.54 1.75 -0.48 -4.83 119.30 125.03 1jfi s MET 495 Ca 0.03 0.87 0.04 0.00 -1.25 0.00 0.00 55.69 55.38 1jfi s MET 495 Cb -0.22 -3.22 -0.25 0.00 2.84 0.00 0.00 34.83 33.98 1jfi s MET 495 CO 0.04 0.60 0.59 0.82 -0.65 0.00 0.00 175.02 176.42 1jfi h ILE 496 N 3.41 0.81 -2.33 10.11 2.04 -1.95 -3.06 117.51 126.53 1jfi h ILE 496 Ca -0.49 -2.59 -0.28 0.00 1.00 0.00 0.00 64.86 62.50 1jfi h ILE 496 Cb 1.21 2.49 -0.34 0.00 -0.74 0.00 0.00 36.82 39.44 1jfi h ILE 496 CO 0.64 0.67 -0.59 -0.75 0.00 0.00 0.00 178.15 178.12 1jfi s LYS 497 N -2.59 0.24 1.02 2.37 2.20 -1.26 -3.20 119.74 118.52 1jfi s LYS 497 Ca -0.11 0.23 -0.13 0.00 -0.36 0.00 0.00 55.97 55.60 1jfi s LYS 497 Cb 0.07 -0.98 0.20 0.00 -1.51 0.00 0.00 37.83 35.61 1jfi s LYS 497 CO 0.81 -0.70 1.10 -1.25 -0.36 0.00 0.00 175.35 174.95 1jfi s PRO 498 N 2.38 0.27 -1.25 4.03 0.04 -1.26 -4.96 135.00 134.26 1jfi s PRO 498 Ca 0.09 0.43 -0.15 0.00 0.04 0.00 0.00 61.00 61.41 1jfi s PRO 498 Cb -0.15 -1.73 0.14 0.00 0.04 0.00 0.00 34.50 32.80 1jfi s PRO 498 CO -0.16 -2.82 1.56 -2.13 0.04 0.00 0.00 177.00 173.50 1jfi n ARG 499 N -4.22 3.33 -4.23 4.56 0.63 -1.19 -4.66 116.66 110.87 1jfi n ARG 499 Ca 0.06 -3.65 -0.17 0.00 -0.92 0.00 0.00 57.85 53.17 1jfi n ARG 499 Cb 0.58 -3.17 -0.11 0.00 0.45 0.00 0.00 32.46 30.21 1jfi n ARG 499 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1jfi s ILE 500 N 2.26 1.24 -0.14 5.15 -4.36 -1.16 -4.66 121.20 119.53 1jfi s ILE 500 Ca 0.46 -1.77 -0.05 0.00 -0.26 0.00 0.00 60.65 59.03 1jfi s ILE 500 Cb 0.00 -1.56 -0.04 0.00 1.25 0.00 0.00 42.46 42.11 1jfi s ILE 500 CO 0.02 -0.50 0.03 -0.69 0.24 0.00 0.00 174.94 174.04 1jfi s VAL 501 N -2.41 4.51 0.03 8.37 1.01 0.26 -1.38 120.40 130.79 1jfi s VAL 501 Ca 0.10 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.99 1jfi s VAL 501 Cb -0.03 -2.98 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1jfi s VAL 501 CO 0.02 0.53 -0.16 -0.76 0.00 0.00 0.00 175.10 174.73 1jfi s LEU 502 N -0.14 2.70 -0.28 3.92 1.02 0.15 -1.00 118.68 125.05 1jfi s LEU 502 Ca 0.06 -0.37 -0.03 0.00 0.02 0.00 0.00 54.13 53.81 1jfi s LEU 502 Cb -0.12 -1.57 0.03 0.00 0.02 0.00 0.00 46.19 44.55 1jfi s LEU 502 CO 0.02 0.26 -0.01 -0.76 0.02 0.00 0.00 176.35 175.88 1jfi s LEU 503 N -1.40 3.59 -0.16 1.79 1.43 0.40 -0.36 118.68 123.98 1jfi s LEU 503 Ca 0.15 -0.98 -0.04 0.00 -1.03 0.00 0.00 54.13 52.23 1jfi s LEU 503 Cb -0.11 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1jfi s LEU 503 CO 0.05 -0.19 -0.04 -0.63 0.23 0.00 0.00 176.35 175.77 1jfi s ILE 504 N 1.34 3.85 -0.02 -0.59 1.01 0.79 -0.61 121.20 126.97 1jfi s ILE 504 Ca -0.01 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.32 1jfi s ILE 504 Cb -0.18 -2.69 -0.03 0.00 0.01 0.00 0.00 42.46 39.58 1jfi s ILE 504 CO -0.02 0.49 -0.17 -0.36 0.00 0.00 0.00 174.94 174.88 1jfi s PHE 505 N 0.41 2.60 0.42 3.97 0.40 -0.92 0.25 117.98 125.10 1jfi s PHE 505 Ca -0.04 -0.23 0.32 0.00 -0.60 0.00 0.00 56.93 56.38 1jfi s PHE 505 Cb -0.14 -1.56 1.41 0.00 0.51 0.00 0.00 43.02 43.24 1jfi s PHE 505 CO 0.03 0.17 1.45 0.28 0.70 0.00 0.00 175.22 177.85 1jfi n VAL 506 N 2.11 -0.21 0.61 -0.44 0.31 -1.26 0.97 118.33 120.42 1jfi n VAL 506 Ca -0.17 1.64 0.08 0.00 -0.01 0.00 0.00 64.34 65.89 1jfi n VAL 506 Cb 0.52 -2.69 0.37 0.00 -0.91 0.00 0.00 33.84 31.13 1jfi n VAL 506 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1jfi n SER 507 N -4.48 0.00 0.00 4.52 3.41 -1.26 -0.54 113.62 115.27 1jfi n SER 507 Ca 0.38 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 1jfi n SER 507 Cb 1.50 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.97 1jfi n SER 507 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jfi n GLY 508 N 0.26 0.64 3.77 5.00 0.00 0.27 -4.17 105.19 110.96 1jfi n GLY 508 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1jfi n GLY 508 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfi s LYS 509 N -0.75 4.68 -0.02 1.61 -0.14 -1.25 -0.67 119.74 123.20 1jfi s LYS 509 Ca 0.00 1.41 0.01 0.00 -1.36 0.00 0.00 55.97 56.02 1jfi s LYS 509 Cb 0.00 -2.98 0.01 0.00 -1.68 0.00 0.00 37.83 33.18 1jfi s LYS 509 CO 0.00 0.36 -0.02 0.08 -0.76 0.00 0.00 175.35 175.01 1jfi s VAL 510 N -1.44 0.26 -0.01 3.17 1.01 0.43 -2.16 120.40 121.66 1jfi s VAL 510 Ca 0.47 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.42 1jfi s VAL 510 Cb -0.22 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1jfi s VAL 510 CO 0.27 0.12 -0.10 -0.69 0.00 0.00 0.00 175.10 174.70 1jfi s VAL 511 N 0.41 3.42 -0.05 2.92 1.01 0.22 -1.53 120.40 126.79 1jfi s VAL 511 Ca -0.04 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1jfi s VAL 511 Cb -0.07 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.86 1jfi s VAL 511 CO -0.01 0.44 -0.14 -0.76 0.00 0.00 0.00 175.10 174.63 1jfi s LEU 512 N -1.25 1.79 0.15 3.92 1.02 0.50 -0.45 118.68 124.36 1jfi s LEU 512 Ca 0.15 -0.31 -0.10 0.00 0.02 0.00 0.00 54.13 53.90 1jfi s LEU 512 Cb -0.11 -0.85 -0.00 0.00 0.02 0.00 0.00 46.19 45.25 1jfi s LEU 512 CO 0.05 0.09 0.30 0.28 0.02 0.00 0.00 176.35 177.09 1jfi s THR 513 N 0.32 0.08 0.00 5.49 -1.32 -0.17 0.00 115.64 120.04 1jfi s THR 513 Ca -0.08 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.17 1jfi s THR 513 Cb -0.13 -1.67 0.00 0.00 -1.51 0.00 0.00 72.50 69.19 1jfi s THR 513 CO 0.03 -0.35 0.00 0.61 -2.21 0.00 0.00 174.62 172.70 1jfi n GLY 514 N -0.20 0.48 3.77 6.08 0.00 -1.21 -0.58 105.19 113.53 1jfi n GLY 514 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1jfi n GLY 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfi s ALA 515 N -2.01 2.89 -0.15 4.61 0.00 -1.24 -4.79 121.76 121.07 1jfi s ALA 515 Ca 0.00 0.95 0.19 0.00 0.00 0.00 0.00 51.96 53.09 1jfi s ALA 515 Cb 0.00 -3.39 -0.27 0.00 0.00 0.00 0.00 23.12 19.46 1jfi s ALA 515 CO 0.00 -0.75 0.22 1.63 0.00 0.00 0.00 175.76 176.86 1jfi n LYS 516 N -0.72 0.68 -3.80 0.00 4.76 -1.26 -1.53 118.16 116.29 1jfi n LYS 516 Ca 0.09 -0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.35 1jfi n LYS 516 Cb 0.48 -1.54 -0.14 0.00 -1.84 0.00 0.00 35.03 32.00 1jfi n LYS 516 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1jfi s VAL 517 N -2.77 -0.02 0.61 -0.18 -7.23 -1.26 -4.82 120.40 104.74 1jfi s VAL 517 Ca -0.09 0.08 0.26 0.00 -1.81 0.00 0.00 61.98 60.42 1jfi s VAL 517 Cb 0.08 -0.18 0.34 0.00 0.56 0.00 0.00 36.38 37.18 1jfi s VAL 517 CO 0.85 0.03 1.69 0.08 -0.31 0.00 0.00 175.10 177.44 1jfi h ARG 518 N 6.55 0.00 -0.41 4.82 0.11 -1.99 -0.38 114.38 123.08 1jfi h ARG 518 Ca -0.33 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.72 1jfi h ARG 518 Cb 1.17 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.23 1jfi h ARG 518 CO 0.44 0.00 0.12 0.00 0.10 0.00 0.00 179.97 180.63 1jfi h ALA 519 N 1.10 1.44 -0.28 0.08 0.00 -1.99 -1.98 119.26 117.62 1jfi h ALA 519 Ca 0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1jfi h ALA 519 Cb 1.56 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1jfi h ALA 519 CO -0.00 0.42 0.07 0.93 0.00 0.00 0.00 179.25 180.66 1jfi h GLU 520 N 0.59 0.40 -0.27 0.00 5.08 -1.49 0.23 114.58 119.12 1jfi h GLU 520 Ca 0.14 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 1jfi h GLU 520 Cb 0.20 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1jfi h GLU 520 CO -0.01 0.38 -0.35 0.82 -1.00 0.00 0.00 179.01 178.85 1jfi h ILE 521 N 0.40 1.30 -0.03 3.13 2.04 -1.50 -1.27 117.51 121.58 1jfi h ILE 521 Ca 0.10 -1.54 -0.10 0.00 1.00 0.00 0.00 64.86 64.31 1jfi h ILE 521 Cb 0.16 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1jfi h ILE 521 CO -0.00 0.49 -0.46 1.88 0.00 0.00 0.00 178.15 180.05 1jfi h TYR 522 N 0.46 0.09 -0.16 1.37 0.05 -1.09 -1.70 116.97 115.99 1jfi h TYR 522 Ca 0.03 -0.03 -0.15 0.00 0.05 0.00 0.00 58.73 58.64 1jfi h TYR 522 Cb 0.94 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.66 1jfi h TYR 522 CO 0.08 0.53 -0.49 1.49 -1.05 0.00 0.00 178.16 178.72 1jfi h GLU 523 N 0.06 0.62 -0.38 4.88 4.81 -0.89 -2.36 114.58 121.32 1jfi h GLU 523 Ca 0.00 -0.45 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 1jfi h GLU 523 Cb 0.85 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.29 1jfi h GLU 523 CO 0.06 1.07 0.17 0.00 -0.73 0.00 0.00 179.01 179.58 1jfi h ALA 524 N 0.55 0.49 -0.25 2.92 0.00 -1.06 -2.13 119.26 119.78 1jfi h ALA 524 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1jfi h ALA 524 Cb 1.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1jfi h ALA 524 CO 0.10 0.07 0.07 0.35 0.00 0.00 0.00 179.25 179.84 1jfi h PHE 525 N 0.47 0.42 0.00 0.00 3.57 -1.36 -1.76 116.94 118.28 1jfi h PHE 525 Ca 0.13 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1jfi h PHE 525 Cb 0.15 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 1jfi h PHE 525 CO -0.01 0.47 -0.01 0.93 -2.23 0.00 0.00 178.31 177.46 1jfi h GLU 526 N 0.24 0.00 0.04 1.11 4.39 -1.31 0.46 114.58 119.51 1jfi h GLU 526 Ca 0.08 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.61 1jfi h GLU 526 Cb 0.25 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.92 1jfi h GLU 526 CO -0.00 0.01 -0.69 -0.91 -1.16 0.00 0.00 179.01 176.26 1jfi h ASN 527 N 0.00 0.53 1.17 1.42 2.35 -0.88 -3.36 115.58 116.81 1jfi h ASN 527 Ca -0.00 -0.82 -0.08 0.00 -0.55 0.00 0.00 56.30 54.85 1jfi h ASN 527 Cb 0.04 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1jfi h ASN 527 CO 0.00 1.29 -0.40 -0.29 -1.65 0.00 0.00 177.43 176.38 1jfi h ILE 528 N -0.16 0.80 0.08 2.81 6.09 -0.49 -3.36 117.51 123.28 1jfi h ILE 528 Ca -0.10 -1.77 0.02 0.00 -1.37 0.00 0.00 64.86 61.65 1jfi h ILE 528 Cb 1.43 2.13 -0.04 0.00 0.47 0.00 0.00 36.82 40.82 1jfi h ILE 528 CO 0.13 0.40 -0.26 0.22 -3.07 0.00 0.00 178.15 175.57 1jfi h TYR 529 N 0.00 -0.69 0.00 2.19 3.20 -1.08 0.92 116.97 121.50 1jfi h TYR 529 Ca -0.00 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 1jfi h TYR 529 Cb 1.10 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.66 1jfi h TYR 529 CO 0.00 -0.36 -0.07 -1.00 -1.64 0.00 0.00 178.16 175.09 1jfi h PRO 530 N -0.44 0.00 -0.09 1.82 0.13 -1.78 -0.49 132.00 131.15 1jfi h PRO 530 Ca 0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.16 1jfi h PRO 530 Cb 0.49 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 1jfi h PRO 530 CO -0.17 0.07 0.00 0.82 -0.23 0.00 0.00 178.00 178.49 1jfi h ILE 531 N 0.00 1.24 -0.83 -3.56 5.03 -1.49 -2.40 117.51 115.50 1jfi h ILE 531 Ca -0.00 -0.75 0.06 0.00 -0.12 0.00 0.00 64.86 64.05 1jfi h ILE 531 Cb 0.12 1.57 -0.06 0.00 -3.03 0.00 0.00 36.82 35.42 1jfi h ILE 531 CO 0.01 0.21 0.51 -0.07 -0.68 0.00 0.00 178.15 178.13 1jfi h LEU 532 N -0.12 0.80 -1.90 1.44 3.38 -0.01 0.12 115.31 119.02 1jfi h LEU 532 Ca 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1jfi h LEU 532 Cb 0.33 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jfi h LEU 532 CO 0.00 0.51 -0.10 0.11 0.09 0.00 0.00 178.44 179.05 1jfi h LYS 533 N 0.93 0.00 -0.00 1.13 1.57 -1.00 -0.93 116.57 118.28 1jfi h LYS 533 Ca 0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.14 1jfi h LYS 533 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 1jfi h LYS 533 CO -0.17 0.10 -0.03 0.41 -0.57 0.00 0.00 179.45 179.19 1jfi n GLY 534 N -0.59 -1.33 0.43 3.86 0.00 0.01 -3.23 105.19 104.35 1jfi n GLY 534 Ca -0.02 -0.15 0.07 0.00 0.00 0.00 0.00 46.02 45.93 1jfi n GLY 534 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jfi n PHE 535 N -1.34 0.00 -1.70 1.61 3.72 -0.39 -5.06 117.46 114.31 1jfi n PHE 535 Ca 0.12 -0.97 -0.38 0.00 -0.05 0.00 0.00 57.45 56.17 1jfi n PHE 535 Cb 0.28 -0.17 0.05 0.00 -0.94 0.00 0.00 39.48 38.71 1jfi n PHE 535 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 1jfi n ARG 536 N -0.96 1.27 -4.08 -1.08 0.63 -0.99 -0.38 116.66 111.07 1jfi n ARG 536 Ca 0.14 0.48 -0.34 0.00 -0.92 0.00 0.00 57.85 57.20 1jfi n ARG 536 Cb 0.71 -2.42 -0.07 0.00 0.45 0.00 0.00 32.46 31.13 1jfi n ARG 536 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1jfi s LYS 537 N -2.96 3.19 0.00 -0.14 2.20 -0.97 -4.61 119.74 116.44 1jfi s LYS 537 Ca 0.76 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 1jfi s LYS 537 Cb -0.41 -2.96 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1jfi s LYS 537 CO 0.46 0.70 0.00 0.25 -0.36 0.00 0.00 175.35 176.40