#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4u s SER 368 N 0.00 5.72 0.00 0.00 0.15 -0.73 -4.88 113.70 113.95 1h4u s SER 368 Ca 0.00 2.20 0.04 0.00 0.70 0.00 0.00 55.95 58.89 1h4u s SER 368 Cb 0.00 -2.58 0.22 0.00 -1.71 0.00 0.00 66.02 61.95 1h4u s SER 368 CO 0.00 -1.22 0.71 1.33 1.20 0.00 0.00 173.24 175.26 1h4u n VAL 369 N -1.26 0.00 -1.81 4.45 0.24 -1.26 -1.65 118.33 117.03 1h4u n VAL 369 Ca 0.11 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.46 1h4u n VAL 369 Cb 0.51 -0.36 0.08 0.00 -1.47 0.00 0.00 33.84 32.60 1h4u n VAL 369 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1h4u n HIS 370 N -0.61 0.00 -4.13 6.34 -0.00 -1.26 -5.07 115.22 110.49 1h4u n HIS 370 Ca 0.03 -0.68 -0.12 0.00 -0.00 0.00 0.00 57.72 56.95 1h4u n HIS 370 Cb 0.01 -0.14 -0.11 0.00 -0.00 0.00 0.00 29.99 29.76 1h4u n HIS 370 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1h4u s ALA 371 N -1.38 0.83 0.06 -1.41 0.00 -0.66 -2.00 121.76 117.20 1h4u s ALA 371 Ca 0.24 -1.13 0.02 0.00 0.00 0.00 0.00 51.96 51.09 1h4u s ALA 371 Cb 0.24 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1h4u s ALA 371 CO -0.05 -0.15 0.10 -1.21 0.00 0.00 0.00 175.76 174.45 1h4u s GLU 372 N -2.97 3.01 -0.18 0.00 2.02 0.25 -4.77 118.70 116.06 1h4u s GLU 372 Ca 0.04 -0.60 -0.04 0.00 0.02 0.00 0.00 54.97 54.38 1h4u s GLU 372 Cb -0.01 -2.80 -0.02 0.00 0.10 0.00 0.00 34.13 31.40 1h4u s GLU 372 CO -0.03 0.59 -0.03 0.00 0.02 0.00 0.00 175.26 175.81 1h4u s ARG 383 N -4.13 0.29 0.27 0.00 3.52 -0.98 -4.31 118.95 113.61 1h4u s ARG 383 Ca 0.22 0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 56.10 1h4u s ARG 383 Cb -0.01 0.20 -0.10 0.00 -1.56 0.00 0.00 34.95 33.48 1h4u s ARG 383 CO 0.14 -0.07 1.46 0.00 -0.81 0.00 0.00 175.30 176.01 1h4u s VAL 385 N -0.12 3.26 0.56 0.00 0.11 -0.85 -4.88 120.40 118.49 1h4u s VAL 385 Ca 0.59 0.29 -0.16 0.00 -2.93 0.00 0.00 61.98 59.77 1h4u s VAL 385 Cb -0.43 -3.39 -0.14 0.00 -1.53 0.00 0.00 36.38 30.90 1h4u s VAL 385 CO 0.45 -0.48 -0.25 0.00 -3.33 0.00 0.00 175.10 171.49 1h4u n ALA 386 N -2.96 -3.46 -0.49 1.54 0.00 -1.26 -1.54 120.51 112.35 1h4u n ALA 386 Ca 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1h4u n ALA 386 Cb 0.58 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1h4u n ALA 386 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1h4u n ASN 387 N 2.49 0.00 -4.29 0.00 4.13 -1.26 -4.97 115.26 111.37 1h4u n ASN 387 Ca 0.05 0.00 -0.17 0.00 1.68 0.00 0.00 54.58 56.14 1h4u n ASN 387 Cb 0.45 -0.63 -0.10 0.00 -1.54 0.00 0.00 39.78 37.95 1h4u n ASN 387 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1h4u s TYR 388 N -2.79 1.52 0.07 3.10 1.51 -0.59 -0.90 117.35 119.27 1h4u s TYR 388 Ca 0.00 -0.61 -0.03 0.00 -1.01 0.00 0.00 57.07 55.42 1h4u s TYR 388 Cb 0.00 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 41.07 1h4u s TYR 388 CO 0.00 0.23 0.03 -0.08 -1.11 0.00 0.00 175.55 174.62 1h4u s THR 389 N -2.79 0.19 -3.41 -0.71 -1.32 0.20 -4.67 115.64 103.13 1h4u s THR 389 Ca 0.17 -1.68 0.00 0.00 -1.21 0.00 0.00 61.69 58.97 1h4u s THR 389 Cb -0.01 -1.53 0.00 0.00 -1.51 0.00 0.00 72.50 69.45 1h4u s THR 389 CO 0.04 -0.87 0.00 0.61 -2.21 0.00 0.00 174.62 172.19 1h4u n GLY 390 N 0.05 0.78 0.00 6.08 0.00 -1.26 -0.67 105.19 110.17 1h4u n GLY 390 Ca -0.13 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1h4u n GLY 390 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1h4u n ASN 391 N 0.00 0.00 -0.06 1.61 6.94 -0.88 -4.65 115.26 118.22 1h4u n ASN 391 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 54.58 54.35 1h4u n ASN 391 Cb 0.00 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.29 1h4u n ASN 391 CO 0.00 0.00 0.00 1.23 -1.03 0.00 0.00 177.26 177.46 1h4u h GLY 392 N 0.00 0.12 2.00 4.83 0.00 -1.92 -3.27 103.07 104.83 1h4u h GLY 392 Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 1h4u h GLY 392 CO 0.00 0.27 -0.48 3.21 0.00 0.00 0.00 176.54 179.54 1h4u h ARG 393 N -0.62 0.00 -4.58 4.80 3.08 -1.92 -1.94 114.38 113.21 1h4u h ARG 393 Ca -0.35 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.21 1h4u h ARG 393 Cb 1.56 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 31.28 1h4u h ARG 393 CO -0.09 0.48 -0.81 -0.65 -1.07 0.00 0.00 179.97 177.84 1h4u s GLN 394 N -3.71 1.42 0.02 0.04 -1.52 -1.26 -3.77 119.66 110.87 1h4u s GLN 394 Ca -0.01 -0.37 0.00 0.00 -1.95 0.00 0.00 55.36 53.03 1h4u s GLN 394 Cb 0.12 -1.23 -0.02 0.00 -0.22 0.00 0.00 33.01 31.67 1h4u s GLN 394 CO 0.72 0.06 -0.03 0.00 -0.25 0.00 0.00 175.29 175.79 1h4u s VAL 396 N -1.07 0.56 0.64 0.00 1.01 0.15 -4.93 120.40 116.76 1h4u s VAL 396 Ca -0.11 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 1h4u s VAL 396 Cb -0.07 -0.60 -0.01 0.00 0.00 0.00 0.00 36.38 35.69 1h4u s VAL 396 CO -0.01 -0.30 1.26 0.00 0.00 0.00 0.00 175.10 176.05 1h4u s ALA 397 N -1.21 2.40 0.09 5.51 0.00 -1.26 -0.63 121.76 126.67 1h4u s ALA 397 Ca -0.08 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 1h4u s ALA 397 Cb -0.09 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 1h4u s ALA 397 CO 0.00 -1.50 1.11 -1.21 0.00 0.00 0.00 175.76 174.17 1h4u s GLU 398 N -3.42 4.52 0.00 0.00 2.02 -0.08 -3.74 118.70 118.01 1h4u s GLU 398 Ca 0.80 1.68 0.00 0.00 0.02 0.00 0.00 54.97 57.47 1h4u s GLU 398 Cb -0.35 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 30.54 1h4u s GLU 398 CO 0.38 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.99 1h4u n GLY 399 N 2.69 2.60 3.78 -1.39 0.00 -1.26 -5.02 105.19 106.58 1h4u n GLY 399 Ca 0.06 -0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1h4u n GLY 399 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h4u s SER 400 N 0.38 6.39 0.78 1.61 1.04 -1.25 -4.36 113.70 118.30 1h4u s SER 400 Ca 0.00 2.99 -0.12 0.00 0.48 0.00 0.00 55.95 59.30 1h4u s SER 400 Cb 0.00 -2.67 0.06 0.00 0.10 0.00 0.00 66.02 63.52 1h4u s SER 400 CO 0.00 -0.83 1.12 -2.84 0.98 0.00 0.00 173.24 171.67 1h4u s PRO 401 N -2.06 2.07 0.11 4.02 0.02 -1.26 -4.74 135.00 133.16 1h4u s PRO 401 Ca 0.52 1.37 0.02 0.00 0.02 0.00 0.00 61.00 62.93 1h4u s PRO 401 Cb -0.45 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.16 1h4u s PRO 401 CO 0.61 -1.81 -0.06 -0.65 -0.33 0.00 0.00 177.00 174.76 1h4u s GLN 402 N -4.57 0.88 -0.03 5.54 -1.52 -0.88 -4.99 119.66 114.09 1h4u s GLN 402 Ca 0.65 -1.37 0.05 0.00 -1.95 0.00 0.00 55.36 52.74 1h4u s GLN 402 Cb -0.21 -0.24 -0.01 0.00 -0.22 0.00 0.00 33.01 32.34 1h4u s GLN 402 CO 0.52 -0.03 -0.18 1.03 -0.25 0.00 0.00 175.29 176.39 1h4u s ARG 403 N -3.84 1.63 -0.28 2.91 0.52 -1.26 -0.97 118.95 117.67 1h4u s ARG 403 Ca 0.14 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 1h4u s ARG 403 Cb 0.05 -1.49 0.08 0.00 0.52 0.00 0.00 34.95 34.11 1h4u s ARG 403 CO -0.03 0.31 0.01 0.08 0.02 0.00 0.00 175.30 175.69 1h4u s VAL 404 N -0.18 1.53 0.30 3.52 1.01 -0.44 -1.22 120.40 124.92 1h4u s VAL 404 Ca 0.01 -1.51 0.11 0.00 0.00 0.00 0.00 61.98 60.59 1h4u s VAL 404 Cb -0.09 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1h4u s VAL 404 CO 0.01 -0.35 -0.11 0.20 0.00 0.00 0.00 175.10 174.85 1h4u s ASN 405 N 1.34 3.90 0.00 3.32 0.01 -0.88 -1.23 114.94 121.40 1h4u s ASN 405 Ca 0.02 -0.97 0.00 0.00 -0.71 0.00 0.00 52.86 51.19 1h4u s ASN 405 Cb -0.18 -0.45 0.00 0.00 0.41 0.00 0.00 41.25 41.02 1h4u s ASN 405 CO -0.11 -0.05 0.00 0.61 -1.51 0.00 0.00 177.10 176.04 1h4u n GLY 406 N -0.76 -0.89 3.59 0.66 0.00 -0.60 -1.62 105.19 105.58 1h4u n GLY 406 Ca -0.05 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.80 1h4u n GLY 406 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h4u s LYS 407 N -0.90 2.15 -0.09 1.61 -0.14 -1.20 -1.38 119.74 119.79 1h4u s LYS 407 Ca 0.00 -1.24 0.01 0.00 -1.36 0.00 0.00 55.97 53.37 1h4u s LYS 407 Cb 0.00 -2.20 0.02 0.00 -1.68 0.00 0.00 37.83 33.97 1h4u s LYS 407 CO 0.00 0.43 -0.09 0.08 -0.76 0.00 0.00 175.35 175.02 1h4u s VAL 408 N -1.75 1.02 -0.12 3.17 1.01 0.23 -0.54 120.40 123.41 1h4u s VAL 408 Ca 0.26 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1h4u s VAL 408 Cb -0.09 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1h4u s VAL 408 CO 0.16 0.35 -0.07 -0.75 0.00 0.00 0.00 175.10 174.79 1h4u s LYS 409 N 1.30 3.35 0.09 2.72 2.20 -0.18 -2.81 119.74 126.41 1h4u s LYS 409 Ca -0.03 -0.57 0.06 0.00 -0.36 0.00 0.00 55.97 55.07 1h4u s LYS 409 Cb -0.14 -2.75 -0.03 0.00 -1.51 0.00 0.00 37.83 33.40 1h4u s LYS 409 CO -0.04 0.35 -0.16 0.20 -0.36 0.00 0.00 175.35 175.34 1h4u s GLY 410 N 0.05 1.02 -0.45 5.54 0.00 0.11 -1.19 107.32 112.39 1h4u s GLY 410 Ca -0.02 -1.14 0.05 0.00 0.00 0.00 0.00 44.72 43.62 1h4u s GLY 410 CO 0.03 -1.17 0.51 -1.60 0.00 0.00 0.00 173.10 170.88 1h4u s ARG 411 N -2.02 0.94 -0.13 2.90 3.00 -0.92 -2.15 118.95 120.56 1h4u s ARG 411 Ca 0.03 -1.47 -0.00 0.00 -1.00 0.00 0.00 55.73 53.29 1h4u s ARG 411 Cb -0.09 -0.72 -0.02 0.00 0.00 0.00 0.00 34.95 34.13 1h4u s ARG 411 CO 0.03 -1.34 -0.12 0.42 0.00 0.00 0.00 175.30 174.29 1h4u s ILE 412 N 0.62 3.13 -0.26 4.11 1.09 -0.75 -1.96 121.20 127.17 1h4u s ILE 412 Ca 0.29 -0.63 -0.10 0.00 -1.10 0.00 0.00 60.65 59.11 1h4u s ILE 412 Cb -0.00 -2.32 -0.05 0.00 -1.06 0.00 0.00 42.46 39.03 1h4u s ILE 412 CO -0.11 0.52 0.16 -0.36 -0.10 0.00 0.00 174.94 175.05 1h4u s PHE 413 N 0.36 3.22 -0.10 3.97 0.40 -0.42 -0.46 117.98 124.96 1h4u s PHE 413 Ca -0.10 0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.19 1h4u s PHE 413 Cb -0.16 -2.33 -0.05 0.00 0.51 0.00 0.00 43.02 41.00 1h4u s PHE 413 CO 0.05 -0.13 0.26 0.08 0.70 0.00 0.00 175.22 176.18 1h4u s VAL 414 N 1.55 5.31 0.00 -0.44 1.01 -1.26 -1.92 120.40 124.65 1h4u s VAL 414 Ca 0.07 0.48 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1h4u s VAL 414 Cb -0.15 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.67 1h4u s VAL 414 CO 0.08 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1h4u n GLY 415 N 2.32 3.41 0.56 4.51 0.00 -0.49 -1.87 105.19 113.63 1h4u n GLY 415 Ca -0.16 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 45.83 1h4u n GLY 415 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h4u n SER 416 N 3.92 2.01 -4.53 1.61 3.41 -1.26 -4.82 113.62 113.95 1h4u n SER 416 Ca 0.00 -1.51 -0.39 0.00 -0.26 0.00 0.00 58.87 56.72 1h4u n SER 416 Cb 0.00 0.25 0.04 0.00 -0.26 0.00 0.00 64.21 64.24 1h4u n SER 416 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1h4u n SER 417 N 0.20 -0.15 -0.49 4.04 2.88 -0.78 -4.91 113.62 114.41 1h4u n SER 417 Ca 0.12 0.80 0.06 0.00 -1.33 0.00 0.00 58.87 58.52 1h4u n SER 417 Cb 0.46 -1.26 0.06 0.00 -0.75 0.00 0.00 64.21 62.72 1h4u n SER 417 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1h4u n GLN 418 N -0.33 0.77 -3.45 -1.46 1.13 -1.26 -4.65 117.38 108.12 1h4u n GLN 418 Ca 0.12 -1.26 -0.43 0.00 -1.94 0.00 0.00 57.00 53.50 1h4u n GLN 418 Cb 0.46 -1.23 -0.07 0.00 0.11 0.00 0.00 30.24 29.50 1h4u n GLN 418 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1h4u s VAL 419 N -1.00 4.73 0.07 5.09 1.01 -1.26 -5.07 120.40 123.96 1h4u s VAL 419 Ca 0.14 -1.49 -0.30 0.00 0.00 0.00 0.00 61.98 60.33 1h4u s VAL 419 Cb 0.10 -3.99 -0.06 0.00 0.00 0.00 0.00 36.38 32.44 1h4u s VAL 419 CO 0.15 -0.72 1.17 -2.16 0.00 0.00 0.00 175.10 173.54 1h4u s PRO 420 N 1.50 4.46 -0.21 2.72 0.04 -1.26 -4.71 135.00 137.54 1h4u s PRO 420 Ca 0.04 1.73 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 1h4u s PRO 420 Cb -0.27 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 30.92 1h4u s PRO 420 CO 0.02 -0.21 1.27 0.08 0.04 0.00 0.00 177.00 178.20 1h4u s VAL 421 N 0.95 4.26 -0.14 -0.36 1.01 0.40 -4.83 120.40 121.68 1h4u s VAL 421 Ca 0.57 1.49 -0.03 0.00 0.00 0.00 0.00 61.98 64.02 1h4u s VAL 421 Cb -0.29 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 1h4u s VAL 421 CO 0.30 -0.24 -0.06 -0.69 0.00 0.00 0.00 175.10 174.41 1h4u s VAL 422 N 3.75 3.68 -0.00 2.92 1.01 -1.26 -1.82 120.40 128.68 1h4u s VAL 422 Ca 0.55 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 62.03 1h4u s VAL 422 Cb -0.20 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1h4u s VAL 422 CO 0.17 0.51 0.11 0.72 0.00 0.00 0.00 175.10 176.60 1h4u s PHE 423 N 0.26 0.04 0.14 5.22 -0.12 -0.91 -5.01 117.98 117.60 1h4u s PHE 423 Ca -0.05 -0.10 -0.13 0.00 -0.05 0.00 0.00 56.93 56.60 1h4u s PHE 423 Cb -0.14 -0.05 0.02 0.00 -0.63 0.00 0.00 43.02 42.21 1h4u s PHE 423 CO 0.04 -0.23 0.36 -1.83 -0.05 0.00 0.00 175.22 173.51 1h4u s GLU 424 N -1.10 1.11 -1.46 1.99 1.03 -1.26 0.04 118.70 119.06 1h4u s GLU 424 Ca -0.12 -0.90 0.00 0.00 0.03 0.00 0.00 54.97 53.98 1h4u s GLU 424 Cb -0.07 0.43 0.00 0.00 -0.80 0.00 0.00 34.13 33.70 1h4u s GLU 424 CO 0.01 -0.43 0.00 -1.71 -1.33 0.00 0.00 175.26 171.80 1h4u n ASN 425 N -0.22 -4.96 -4.78 0.83 5.15 -1.23 -4.97 115.26 105.09 1h4u n ASN 425 Ca -0.12 0.34 -0.37 0.00 -0.60 0.00 0.00 54.58 53.83 1h4u n ASN 425 Cb 0.63 -3.67 -0.03 0.00 -0.53 0.00 0.00 39.78 36.17 1h4u n ASN 425 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1h4u s THR 426 N -2.41 3.55 -0.13 -0.44 2.01 -1.12 -4.84 115.64 112.26 1h4u s THR 426 Ca 0.00 1.21 -0.16 0.00 0.31 0.00 0.00 61.69 63.05 1h4u s THR 426 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1h4u s THR 426 CO 0.00 0.03 0.38 -1.81 -0.69 0.00 0.00 174.62 172.53 1h4u s ASP 427 N -1.45 6.56 -0.19 3.53 1.01 -1.24 -0.60 116.67 124.29 1h4u s ASP 427 Ca 0.58 0.66 -0.01 0.00 0.71 0.00 0.00 52.55 54.50 1h4u s ASP 427 Cb -0.24 -2.23 0.01 0.00 1.01 0.00 0.00 42.92 41.47 1h4u s ASP 427 CO 0.30 0.07 -0.15 -0.22 0.21 0.00 0.00 175.17 175.39 1h4u s LEU 428 N 0.44 2.40 -0.10 1.23 0.20 -0.48 -1.29 118.68 121.09 1h4u s LEU 428 Ca 0.21 -0.55 0.04 0.00 0.69 0.00 0.00 54.13 54.51 1h4u s LEU 428 Cb -0.14 -1.57 0.00 0.00 -0.43 0.00 0.00 46.19 44.05 1h4u s LEU 428 CO 0.07 0.00 -0.22 -1.00 -0.29 0.00 0.00 176.35 174.92 1h4u s HIS 429 N 1.30 2.36 -0.05 5.38 3.76 -0.39 -1.56 115.29 126.09 1h4u s HIS 429 Ca 0.04 -0.97 0.04 0.00 -0.15 0.00 0.00 55.06 54.03 1h4u s HIS 429 Cb -0.14 -1.60 -0.00 0.00 1.11 0.00 0.00 32.58 31.95 1h4u s HIS 429 CO -0.09 -0.40 -0.18 0.45 -0.85 0.00 0.00 174.74 173.67 1h4u s SER 430 N 0.42 2.29 -0.15 1.40 0.15 -0.37 -1.22 113.70 116.22 1h4u s SER 430 Ca -0.18 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.11 1h4u s SER 430 Cb -0.18 -0.70 0.01 0.00 -1.71 0.00 0.00 66.02 63.44 1h4u s SER 430 CO 0.08 0.15 -0.21 -0.47 1.20 0.00 0.00 173.24 173.99 1h4u s TYR 431 N 0.09 2.70 -0.09 3.44 5.04 -0.08 -1.33 117.35 127.13 1h4u s TYR 431 Ca -0.06 -1.41 0.05 0.00 -2.44 0.00 0.00 57.07 53.21 1h4u s TYR 431 Cb -0.13 -1.84 -0.00 0.00 0.35 0.00 0.00 41.96 40.34 1h4u s TYR 431 CO 0.03 -0.66 -0.24 0.14 -1.34 0.00 0.00 175.55 173.48 1h4u s VAL 432 N 0.93 2.04 -0.19 3.14 -7.23 -0.14 -0.32 120.40 118.62 1h4u s VAL 432 Ca -0.04 -1.02 -0.07 0.00 -1.81 0.00 0.00 61.98 59.04 1h4u s VAL 432 Cb -0.15 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 1h4u s VAL 432 CO -0.04 0.56 0.06 -0.69 -0.31 0.00 0.00 175.10 174.67 1h4u s VAL 433 N 0.22 4.72 0.30 1.32 1.01 0.20 -2.07 120.40 126.09 1h4u s VAL 433 Ca -0.15 -0.06 0.14 0.00 0.00 0.00 0.00 61.98 61.92 1h4u s VAL 433 Cb -0.17 -3.14 0.07 0.00 0.00 0.00 0.00 36.38 33.15 1h4u s VAL 433 CO 0.08 0.44 1.75 0.24 0.00 0.00 0.00 175.10 177.61 1h4u h MET 434 N 6.89 0.00 0.00 2.72 2.86 -1.85 -2.20 114.93 123.35 1h4u h MET 434 Ca -0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 1h4u h MET 434 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 1h4u h MET 434 CO 0.68 0.44 0.00 -1.71 1.06 0.00 0.00 176.91 177.39 1h4u n ASN 435 N -3.85 0.00 -1.53 1.22 2.85 -1.26 -2.29 115.26 110.40 1h4u n ASN 435 Ca -0.01 0.61 -0.05 0.00 -0.11 0.00 0.00 54.58 55.02 1h4u n ASN 435 Cb 0.49 -0.22 0.24 0.00 1.24 0.00 0.00 39.78 41.53 1h4u n ASN 435 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 1h4u n HIS 436 N -1.97 1.79 -3.51 1.20 8.25 -1.26 -4.93 115.22 114.79 1h4u n HIS 436 Ca 0.00 -1.36 -0.25 0.00 -0.26 0.00 0.00 57.72 55.84 1h4u n HIS 436 Cb 0.00 -0.59 0.05 0.00 1.12 0.00 0.00 29.99 30.57 1h4u n HIS 436 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h4u n GLY 437 N -0.70 -0.53 3.65 -1.41 0.00 -0.97 -2.33 105.19 102.89 1h4u n GLY 437 Ca 0.37 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 46.20 1h4u n GLY 437 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1h4u s ARG 438 N -6.21 4.16 -0.04 1.61 3.52 -0.83 -2.01 118.95 119.14 1h4u s ARG 438 Ca 0.52 0.42 0.05 0.00 -0.13 0.00 0.00 55.73 56.59 1h4u s ARG 438 Cb -0.24 -3.59 -0.02 0.00 -1.56 0.00 0.00 34.95 29.54 1h4u s ARG 438 CO 0.64 -0.22 -0.19 -1.54 -0.81 0.00 0.00 175.30 173.18 1h4u s SER 439 N 1.27 3.63 -0.17 -2.12 1.04 -0.76 -0.63 113.70 115.95 1h4u s SER 439 Ca 0.24 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1h4u s SER 439 Cb -0.15 -0.69 0.01 0.00 0.10 0.00 0.00 66.02 65.28 1h4u s SER 439 CO 0.09 0.33 -0.16 -0.31 0.98 0.00 0.00 173.24 174.17 1h4u s TYR 440 N -0.62 2.79 -0.11 5.02 1.51 0.57 -2.42 117.35 124.09 1h4u s TYR 440 Ca 0.09 -1.27 0.02 0.00 -1.01 0.00 0.00 57.07 54.91 1h4u s TYR 440 Cb -0.11 -1.92 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 1h4u s TYR 440 CO 0.00 -0.61 -0.18 0.99 -1.11 0.00 0.00 175.55 174.64 1h4u s THR 441 N 1.07 2.65 -0.14 -0.71 2.01 0.14 -0.90 115.64 119.77 1h4u s THR 441 Ca -0.01 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1h4u s THR 441 Cb -0.14 -2.07 0.02 0.00 0.01 0.00 0.00 72.50 70.32 1h4u s THR 441 CO -0.05 0.54 -0.14 0.00 -0.69 0.00 0.00 174.62 174.28 1h4u s ALA 442 N 0.22 1.79 -0.35 7.40 0.00 -0.36 -0.93 121.76 129.54 1h4u s ALA 442 Ca -0.11 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 1h4u s ALA 442 Cb -0.16 -0.99 0.06 0.00 0.00 0.00 0.00 23.12 22.03 1h4u s ALA 442 CO 0.06 -0.31 0.11 0.42 0.00 0.00 0.00 175.76 176.04 1h4u s ILE 443 N 1.38 3.43 -0.05 0.00 1.01 0.11 -1.26 121.20 125.81 1h4u s ILE 443 Ca 0.02 -1.46 -0.06 0.00 0.00 0.00 0.00 60.65 59.15 1h4u s ILE 443 Cb -0.13 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 1h4u s ILE 443 CO -0.08 -0.30 0.19 -0.94 0.00 0.00 0.00 174.94 173.80 1h4u s SER 444 N 1.52 6.42 0.00 3.58 1.04 -0.41 -1.11 113.70 124.74 1h4u s SER 444 Ca -0.00 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.89 1h4u s SER 444 Cb -0.21 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1h4u s SER 444 CO -0.00 0.33 0.00 0.41 0.98 0.00 0.00 173.24 174.96 1h4u n THR 445 N 1.46 -0.80 -3.98 2.02 -1.04 -0.47 -3.58 114.28 107.89 1h4u n THR 445 Ca -0.15 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.52 1h4u n THR 445 Cb 0.54 -2.43 -0.15 0.00 -1.82 0.00 0.00 70.33 66.47 1h4u n THR 445 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1h4u s ILE 446 N -2.81 2.90 0.46 12.58 -1.09 -0.80 -4.94 121.20 127.50 1h4u s ILE 446 Ca 0.00 -0.69 -0.24 0.00 -2.23 0.00 0.00 60.65 57.50 1h4u s ILE 446 Cb 0.00 -2.31 -0.09 0.00 -1.58 0.00 0.00 42.46 38.49 1h4u s ILE 446 CO 0.00 0.44 1.15 -2.65 -1.23 0.00 0.00 174.94 172.65 1h4u n PRO 447 N 4.73 1.56 0.30 2.79 -0.02 -1.26 -4.69 135.00 138.41 1h4u n PRO 447 Ca -0.19 0.56 0.20 0.00 -2.02 0.00 0.00 63.50 62.06 1h4u n PRO 447 Cb 0.50 -2.27 1.05 0.00 -0.02 0.00 0.00 33.50 32.77 1h4u n PRO 447 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1h4u h GLU 448 N 1.60 0.00 0.00 -0.52 3.07 -1.97 -0.81 114.58 115.95 1h4u h GLU 448 Ca -0.47 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.36 1h4u h GLU 448 Cb 1.32 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1h4u h GLU 448 CO 0.57 0.00 -0.14 1.79 -1.40 0.00 0.00 179.01 179.83 1h4u h THR 449 N 0.00 0.45 0.00 1.13 1.35 -2.03 -3.34 112.91 110.47 1h4u h THR 449 Ca 0.00 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1h4u h THR 449 Cb 0.05 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1h4u h THR 449 CO 0.00 0.14 -0.65 1.33 -0.25 0.00 0.00 175.52 176.09 1h4u n VAL 450 N -3.42 0.00 -0.27 6.82 0.24 -0.59 -4.86 118.33 116.25 1h4u n VAL 450 Ca -0.01 -0.03 -0.11 0.00 -2.04 0.00 0.00 64.34 62.15 1h4u n VAL 450 Cb 0.32 0.41 -0.09 0.00 -1.47 0.00 0.00 33.84 33.01 1h4u n VAL 450 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1h4u h GLY 451 N 0.00 -1.05 1.16 7.63 0.00 -1.32 -1.13 103.07 108.37 1h4u h GLY 451 Ca 0.00 0.79 -0.01 0.00 0.00 0.00 0.00 47.33 48.11 1h4u h GLY 451 CO 0.00 -0.11 0.49 -0.97 0.00 0.00 0.00 176.54 175.96 1h4u h TYR 452 N -0.16 1.08 0.00 5.60 -1.99 -1.87 -2.63 116.97 117.00 1h4u h TYR 452 Ca 0.11 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.78 1h4u h TYR 452 Cb 0.45 -0.35 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 1h4u h TYR 452 CO -0.89 0.72 -0.27 0.77 -0.00 0.00 0.00 178.16 178.50 1h4u h SER 453 N 1.13 0.00 0.30 3.88 0.02 -1.56 -2.69 113.55 114.64 1h4u h SER 453 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1h4u h SER 453 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1h4u h SER 453 CO -0.05 0.27 -0.14 0.18 -1.14 0.00 0.00 176.83 175.94 1h4u n LEU 454 N -4.04 0.66 -0.35 5.07 4.77 -0.51 -4.37 117.00 118.23 1h4u n LEU 454 Ca -0.02 -0.09 0.11 0.00 -0.03 0.00 0.00 56.01 55.98 1h4u n LEU 454 Cb 0.33 -0.15 0.31 0.00 -2.33 0.00 0.00 43.42 41.57 1h4u n LEU 454 CO 0.36 0.12 1.21 -0.07 -1.33 0.00 0.00 177.39 177.69 1h4u h LEU 455 N 0.82 0.81 -1.27 2.23 3.38 -1.41 -1.74 115.31 118.12 1h4u h LEU 455 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1h4u h LEU 455 Cb 0.40 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1h4u h LEU 455 CO 0.00 0.35 0.00 -0.65 0.09 0.00 0.00 178.44 178.23 1h4u h PRO 456 N 0.83 0.00 -2.05 1.13 0.11 -1.82 -3.36 132.00 126.83 1h4u h PRO 456 Ca 0.54 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.59 1h4u h PRO 456 Cb 0.76 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.85 1h4u h PRO 456 CO -0.32 0.00 -0.10 1.28 -0.21 0.00 0.00 178.00 178.64 1h4u n LEU 457 N -2.83 4.64 -0.25 2.35 4.77 -0.65 -4.63 117.00 120.40 1h4u n LEU 457 Ca 0.01 -2.38 0.26 0.00 -0.03 0.00 0.00 56.01 53.87 1h4u n LEU 457 Cb 0.27 -1.08 0.62 0.00 -2.33 0.00 0.00 43.42 40.90 1h4u n LEU 457 CO 0.25 1.09 1.25 0.00 -1.33 0.00 0.00 177.39 178.64 1h4u h ALA 458 N 2.12 2.58 0.00 -1.18 0.00 -1.82 -1.36 119.26 119.61 1h4u h ALA 458 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1h4u h ALA 458 Cb 1.04 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1h4u h ALA 458 CO 0.10 -0.90 0.14 -1.35 0.00 0.00 0.00 179.25 177.25 1h4u h PRO 459 N 0.20 0.00 -0.86 0.00 0.11 -1.96 0.13 132.00 129.63 1h4u h PRO 459 Ca 0.50 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.68 1h4u h PRO 459 Cb 1.62 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.66 1h4u h PRO 459 CO -0.12 0.00 0.52 0.82 -0.21 0.00 0.00 178.00 179.01 1h4u h ILE 460 N 0.00 1.01 0.00 4.15 2.04 -1.64 -2.51 117.51 120.55 1h4u h ILE 460 Ca 0.00 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.54 1h4u h ILE 460 Cb 0.29 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 1h4u h ILE 460 CO 0.00 0.17 -1.69 0.61 0.00 0.00 0.00 178.15 177.24 1h4u n GLY 461 N -1.33 -1.03 0.27 5.37 0.00 -0.01 -4.42 105.19 104.04 1h4u n GLY 461 Ca 0.13 -0.52 0.10 0.00 0.00 0.00 0.00 46.02 45.73 1h4u n GLY 461 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1h4u h GLY 462 N 4.25 0.00 0.66 -0.02 0.00 -0.38 -2.09 103.07 105.49 1h4u h GLY 462 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.48 1h4u h GLY 462 CO 0.00 0.00 0.52 1.19 0.00 0.00 0.00 176.54 178.25 1h4u h ILE 463 N 0.00 0.80 -0.06 2.60 6.09 -1.74 -0.37 117.51 124.83 1h4u h ILE 463 Ca -0.00 -0.16 -0.16 0.00 -1.37 0.00 0.00 64.86 63.17 1h4u h ILE 463 Cb 0.02 0.30 -0.01 0.00 0.47 0.00 0.00 36.82 37.59 1h4u h ILE 463 CO 0.00 0.09 -0.66 0.40 -3.07 0.00 0.00 178.15 174.91 1h4u h ILE 464 N 0.47 1.40 -0.53 2.19 2.04 -1.69 -1.62 117.51 119.77 1h4u h ILE 464 Ca 0.38 -2.09 -0.06 0.00 1.00 0.00 0.00 64.86 64.09 1h4u h ILE 464 Cb 0.82 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.95 1h4u h ILE 464 CO -0.13 0.62 0.08 1.23 0.00 0.00 0.00 178.15 179.95 1h4u h GLY 465 N 1.49 0.90 0.99 5.37 0.00 -1.17 -2.06 103.07 108.59 1h4u h GLY 465 Ca -0.01 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.69 1h4u h GLY 465 CO 0.10 0.52 0.02 -0.25 0.00 0.00 0.00 176.54 176.93 1h4u h TRP 466 N 0.80 0.90 -0.93 5.60 7.01 -1.03 -1.55 115.95 126.74 1h4u h TRP 466 Ca 0.17 -0.15 0.09 0.00 2.11 0.00 0.00 58.89 61.11 1h4u h TRP 466 Cb 0.36 -0.24 -0.07 0.00 -2.10 0.00 0.00 29.16 27.11 1h4u h TRP 466 CO 0.02 0.85 0.58 0.52 -2.79 0.00 0.00 178.44 177.62 1h4u h MET 467 N 0.69 0.96 -0.25 2.65 2.86 -0.76 -2.17 114.93 118.91 1h4u h MET 467 Ca 0.14 -0.06 -0.14 0.00 -2.06 0.00 0.00 59.70 57.58 1h4u h MET 467 Cb 0.48 -0.22 -0.09 0.00 0.06 0.00 0.00 31.60 31.83 1h4u h MET 467 CO 0.02 0.64 -0.29 1.19 1.06 0.00 0.00 176.91 179.53 1h4u n PHE 468 N -4.62 0.79 -1.61 -0.22 3.01 -0.82 -0.75 117.46 113.24 1h4u n PHE 468 Ca 0.16 -1.64 -0.35 0.00 1.01 0.00 0.00 57.45 56.62 1h4u n PHE 468 Cb 0.26 -0.40 0.08 0.00 -0.01 0.00 0.00 39.48 39.40 1h4u n PHE 468 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1h4u s ALA 469 N -3.28 2.26 0.02 4.37 0.00 -0.60 -4.42 121.76 120.11 1h4u s ALA 469 Ca 0.43 1.02 -0.30 0.00 0.00 0.00 0.00 51.96 53.11 1h4u s ALA 469 Cb 0.39 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 1h4u s ALA 469 CO -0.03 -1.70 1.56 0.08 0.00 0.00 0.00 175.76 175.67 1h4u s VAL 470 N -1.72 3.38 0.11 0.00 1.01 -0.68 -4.69 120.40 117.82 1h4u s VAL 470 Ca 0.78 0.75 -0.24 0.00 0.00 0.00 0.00 61.98 63.27 1h4u s VAL 470 Cb -0.32 -3.48 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 1h4u s VAL 470 CO 0.42 -0.01 0.74 -1.61 0.00 0.00 0.00 175.10 174.64 1h4u s GLU 471 N 2.79 4.49 0.07 2.72 2.02 -1.26 -1.65 118.70 127.88 1h4u s GLU 471 Ca 0.70 1.07 0.04 0.00 0.02 0.00 0.00 54.97 56.80 1h4u s GLU 471 Cb -0.35 -3.29 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 1h4u s GLU 471 CO 0.29 0.49 0.00 -0.65 0.02 0.00 0.00 175.26 175.41 1h4u s GLN 472 N -0.78 2.60 0.00 1.61 -0.21 -1.13 -4.98 119.66 116.77 1h4u s GLN 472 Ca 0.36 -0.79 0.00 0.00 0.02 0.00 0.00 55.36 54.94 1h4u s GLN 472 Cb -0.22 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 31.22 1h4u s GLN 472 CO 0.24 0.56 0.00 -0.40 -2.12 0.00 0.00 175.29 173.57 1h4u n ASP 473 N 0.71 0.00 -3.13 5.90 5.75 -1.26 -0.07 116.55 124.44 1h4u n ASP 473 Ca -0.11 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.27 1h4u n ASP 473 Cb 0.52 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.64 1h4u n ASP 473 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h4u n GLY 474 N 0.00 5.63 2.86 6.12 0.00 -1.26 -4.91 105.19 113.62 1h4u n GLY 474 Ca 0.00 -2.46 -0.16 0.00 0.00 0.00 0.00 46.02 43.40 1h4u n GLY 474 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h4u s PHE 475 N -3.91 -0.17 0.20 1.61 0.40 0.89 -4.90 117.98 112.11 1h4u s PHE 475 Ca 0.48 0.56 -0.04 0.00 -0.60 0.00 0.00 56.93 57.34 1h4u s PHE 475 Cb 0.35 -0.21 -0.05 0.00 0.51 0.00 0.00 43.02 43.62 1h4u s PHE 475 CO -0.31 -0.24 0.43 0.15 0.70 0.00 0.00 175.22 175.95 1h4u s LYS 476 N 1.96 3.60 0.70 0.44 1.02 -1.26 -3.57 119.74 122.63 1h4u s LYS 476 Ca -0.01 -0.14 -0.03 0.00 0.02 0.00 0.00 55.97 55.82 1h4u s LYS 476 Cb -0.12 -2.79 0.10 0.00 -0.52 0.00 0.00 37.83 34.50 1h4u s LYS 476 CO -0.06 0.38 0.98 0.54 -0.92 0.00 0.00 175.35 176.27 1h4u s ASN 477 N -2.84 4.50 0.37 2.83 2.20 -1.26 -4.93 114.94 115.81 1h4u s ASN 477 Ca 0.41 -0.10 0.09 0.00 -0.94 0.00 0.00 52.86 52.33 1h4u s ASN 477 Cb -0.11 -0.40 0.84 0.00 -2.00 0.00 0.00 41.25 39.57 1h4u s ASN 477 CO 0.27 -1.75 1.89 1.23 -2.94 0.00 0.00 177.10 175.81 1h4u h GLY 478 N -0.52 1.07 1.21 0.45 0.00 -1.28 -2.47 103.07 101.54 1h4u h GLY 478 Ca -0.40 -0.28 -0.17 0.00 0.00 0.00 0.00 47.33 46.48 1h4u h GLY 478 CO 0.46 0.11 -0.48 -2.75 0.00 0.00 0.00 176.54 173.89 1h4u h PHE 479 N 0.66 1.04 0.00 5.60 3.57 -1.19 0.11 116.94 126.72 1h4u h PHE 479 Ca 0.41 -0.34 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 1h4u h PHE 479 Cb 0.65 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 1h4u h PHE 479 CO -0.00 1.15 -0.14 0.77 -2.23 0.00 0.00 178.31 177.86 1h4u h SER 480 N 0.67 0.00 0.20 0.41 0.02 -1.69 0.41 113.55 113.57 1h4u h SER 480 Ca 0.03 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.63 1h4u h SER 480 Cb 1.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.60 1h4u h SER 480 CO 0.11 0.14 -1.83 0.40 -1.14 0.00 0.00 176.83 174.51 1h4u h ILE 481 N 0.00 0.83 0.00 3.27 2.04 -1.21 -3.34 117.51 119.11 1h4u h ILE 481 Ca -0.00 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.38 1h4u h ILE 481 Cb 0.27 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 1h4u h ILE 481 CO 0.02 0.86 -1.48 0.35 0.00 0.00 0.00 178.15 177.90 1h4u n THR 482 N -3.52 0.00 -1.13 -0.27 -2.24 0.34 -4.93 114.28 102.54 1h4u n THR 482 Ca -0.26 -0.30 -0.04 0.00 -2.27 0.00 0.00 64.05 61.18 1h4u n THR 482 Cb 1.06 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 69.59 1h4u n THR 482 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1h4u n GLY 483 N 1.65 0.59 2.00 3.38 0.00 0.14 -1.36 105.19 111.60 1h4u n GLY 483 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1h4u n GLY 483 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4u n GLY 484 N -0.85 0.49 3.19 -0.02 0.00 -1.26 -4.50 105.19 102.23 1h4u n GLY 484 Ca -0.04 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1h4u n GLY 484 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h4u s GLU 485 N -0.26 2.35 -0.03 1.61 2.02 -0.46 -1.85 118.70 122.08 1h4u s GLU 485 Ca 0.00 -1.48 -0.30 0.00 0.02 0.00 0.00 54.97 53.21 1h4u s GLU 485 Cb 0.00 -3.50 0.11 0.00 0.10 0.00 0.00 34.13 30.85 1h4u s GLU 485 CO 0.00 -0.85 1.32 -0.59 0.02 0.00 0.00 175.26 175.15 1h4u s PHE 486 N 1.28 -0.00 0.04 1.61 -0.12 -1.00 -4.57 117.98 115.21 1h4u s PHE 486 Ca 0.02 -0.08 0.07 0.00 -0.05 0.00 0.00 56.93 56.88 1h4u s PHE 486 Cb -0.21 0.54 -0.02 0.00 -0.63 0.00 0.00 43.02 42.69 1h4u s PHE 486 CO -0.01 -0.21 -0.20 0.95 -0.05 0.00 0.00 175.22 175.70 1h4u s THR 487 N -2.15 1.57 -0.04 -4.49 -4.23 -0.45 -1.02 115.64 104.84 1h4u s THR 487 Ca 0.22 -1.13 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1h4u s THR 487 Cb 0.03 -1.37 0.01 0.00 1.34 0.00 0.00 72.50 72.52 1h4u s THR 487 CO -0.03 0.20 -0.06 -0.60 -0.54 0.00 0.00 174.62 173.59 1h4u s ARG 488 N -1.09 0.86 -0.10 3.99 3.52 -0.11 -1.30 118.95 124.72 1h4u s ARG 488 Ca 0.07 -0.18 0.02 0.00 -0.13 0.00 0.00 55.73 55.51 1h4u s ARG 488 Cb -0.08 -0.83 0.01 0.00 -1.56 0.00 0.00 34.95 32.48 1h4u s ARG 488 CO 0.01 -0.01 -0.17 1.14 -0.81 0.00 0.00 175.30 175.47 1h4u s GLN 489 N 0.62 2.34 0.05 5.12 -2.07 -0.69 -0.57 119.66 124.46 1h4u s GLN 489 Ca -0.09 -0.62 0.03 0.00 -1.82 0.00 0.00 55.36 52.86 1h4u s GLN 489 Cb -0.12 -1.92 -0.03 0.00 -1.09 0.00 0.00 33.01 29.86 1h4u s GLN 489 CO 0.01 0.00 -0.09 0.00 -1.32 0.00 0.00 175.29 173.89 1h4u s ALA 490 N 0.79 0.72 0.03 2.60 0.00 0.31 -1.10 121.76 125.11 1h4u s ALA 490 Ca -0.11 -0.83 0.05 0.00 0.00 0.00 0.00 51.96 51.07 1h4u s ALA 490 Cb -0.16 0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1h4u s ALA 490 CO 0.01 0.03 -0.14 -2.00 0.00 0.00 0.00 175.76 173.66 1h4u s GLU 491 N -1.63 0.94 -0.03 0.00 2.12 -0.38 0.41 118.70 120.14 1h4u s GLU 491 Ca -0.08 -0.70 0.02 0.00 0.36 0.00 0.00 54.97 54.57 1h4u s GLU 491 Cb -0.10 -0.94 0.01 0.00 0.26 0.00 0.00 34.13 33.36 1h4u s GLU 491 CO 0.01 0.24 -0.07 0.08 -0.54 0.00 0.00 175.26 174.98 1h4u s VAL 492 N -0.76 0.61 -0.10 3.70 1.01 -0.31 -1.62 120.40 122.94 1h4u s VAL 492 Ca 0.02 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.78 1h4u s VAL 492 Cb -0.07 -0.56 0.01 0.00 0.00 0.00 0.00 36.38 35.75 1h4u s VAL 492 CO 0.01 0.21 -0.17 -0.89 0.00 0.00 0.00 175.10 174.25 1h4u s THR 493 N 0.35 1.57 -0.38 3.92 2.01 -0.59 -1.78 115.64 120.74 1h4u s THR 493 Ca -0.05 -0.71 -0.16 0.00 0.31 0.00 0.00 61.69 61.08 1h4u s THR 493 Cb -0.09 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 71.02 1h4u s THR 493 CO 0.00 0.45 0.37 -0.36 -0.69 0.00 0.00 174.62 174.39 1h4u s PHE 494 N 0.71 3.20 0.30 4.92 0.40 -1.26 -0.43 117.98 125.82 1h4u s PHE 494 Ca -0.12 -0.28 -0.30 0.00 -0.60 0.00 0.00 56.93 55.63 1h4u s PHE 494 Cb -0.16 -2.72 -0.11 0.00 0.51 0.00 0.00 43.02 40.54 1h4u s PHE 494 CO 0.03 -0.55 1.56 -0.51 0.70 0.00 0.00 175.22 176.44 1h4u s LEU 495 N 1.97 4.35 0.00 -0.37 1.43 -1.11 -2.03 118.68 122.92 1h4u s LEU 495 Ca 0.10 2.93 0.00 0.00 -1.03 0.00 0.00 54.13 56.13 1h4u s LEU 495 Cb -0.17 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.41 1h4u s LEU 495 CO 0.12 -0.88 0.00 0.61 0.23 0.00 0.00 176.35 176.43 1h4u n GLY 496 N 1.92 0.96 3.13 -3.19 0.00 -1.26 -4.86 105.19 101.89 1h4u n GLY 496 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 1h4u n GLY 496 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1h4u s HIS 497 N -2.83 1.33 0.72 1.61 3.76 -0.86 -5.14 115.29 113.87 1h4u s HIS 497 Ca 0.00 -0.27 -0.14 0.00 -0.15 0.00 0.00 55.06 54.50 1h4u s HIS 497 Cb 0.00 -0.84 0.04 0.00 1.11 0.00 0.00 32.58 32.89 1h4u s HIS 497 CO 0.00 -0.01 1.16 -2.14 -0.85 0.00 0.00 174.74 172.90 1h4u s PRO 498 N -0.53 2.29 1.80 8.40 0.02 -1.26 -4.64 135.00 141.08 1h4u s PRO 498 Ca 0.05 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.63 1h4u s PRO 498 Cb -0.06 -1.87 0.00 0.00 0.02 0.00 0.00 34.50 32.59 1h4u s PRO 498 CO -0.00 -1.68 0.00 0.41 -0.33 0.00 0.00 177.00 175.40 1h4u n GLY 499 N -0.09 -1.14 3.65 0.52 0.00 -1.26 -4.84 105.19 102.03 1h4u n GLY 499 Ca 0.12 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1h4u n GLY 499 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1h4u s LYS 500 N 0.00 1.49 -0.15 1.61 -2.85 -1.26 -4.64 119.74 113.94 1h4u s LYS 500 Ca 0.00 -0.72 0.01 0.00 -1.00 0.00 0.00 55.97 54.26 1h4u s LYS 500 Cb 0.00 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.35 1h4u s LYS 500 CO 0.00 -0.67 -0.17 -1.17 0.10 0.00 0.00 175.35 173.44 1h4u s LEU 501 N -2.83 2.39 -0.12 2.77 2.96 -0.73 -1.54 118.68 121.57 1h4u s LEU 501 Ca 0.07 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 53.44 1h4u s LEU 501 Cb -0.03 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 1h4u s LEU 501 CO -0.03 0.09 0.03 -0.69 -1.32 0.00 0.00 176.35 174.44 1h4u s VAL 502 N 0.78 4.57 -0.01 1.68 1.01 -0.44 -1.16 120.40 126.84 1h4u s VAL 502 Ca -0.06 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.85 1h4u s VAL 502 Cb -0.15 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1h4u s VAL 502 CO 0.00 0.56 -0.22 -0.22 0.00 0.00 0.00 175.10 175.22 1h4u s LEU 503 N -0.48 2.06 -0.05 3.92 2.96 0.17 -1.87 118.68 125.40 1h4u s LEU 503 Ca 0.09 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1h4u s LEU 503 Cb -0.12 -1.11 0.03 0.00 0.50 0.00 0.00 46.19 45.49 1h4u s LEU 503 CO 0.02 0.25 0.02 -0.54 -1.32 0.00 0.00 176.35 174.78 1h4u s LYS 504 N -0.63 0.29 0.07 1.98 1.02 -0.43 -0.53 119.74 121.50 1h4u s LYS 504 Ca 0.08 0.18 0.05 0.00 0.02 0.00 0.00 55.97 56.30 1h4u s LYS 504 Cb -0.08 -0.65 -0.03 0.00 -0.52 0.00 0.00 37.83 36.54 1h4u s LYS 504 CO -0.00 -0.25 -0.13 -0.65 -0.92 0.00 0.00 175.35 173.39 1h4u s GLN 505 N 1.69 0.79 -0.05 1.68 -0.21 0.26 -1.02 119.66 122.80 1h4u s GLN 505 Ca -0.00 -0.92 0.02 0.00 0.02 0.00 0.00 55.36 54.48 1h4u s GLN 505 Cb -0.13 -0.77 0.01 0.00 1.00 0.00 0.00 33.01 33.12 1h4u s GLN 505 CO -0.03 0.17 -0.11 -1.14 -2.12 0.00 0.00 175.29 172.05 1h4u s GLN 506 N -1.69 1.47 -0.11 2.91 2.00 -0.70 -0.94 119.66 122.61 1h4u s GLN 506 Ca -0.03 -0.38 0.02 0.00 -2.00 0.00 0.00 55.36 52.97 1h4u s GLN 506 Cb -0.10 -1.26 -0.01 0.00 0.80 0.00 0.00 33.01 32.44 1h4u s GLN 506 CO 0.02 0.06 -0.17 -0.06 -0.50 0.00 0.00 175.29 174.64 1h4u s PHE 507 N 0.52 2.70 -0.37 1.67 0.40 -0.19 -0.80 117.98 121.92 1h4u s PHE 507 Ca -0.11 -0.73 0.10 0.00 -0.60 0.00 0.00 56.93 55.59 1h4u s PHE 507 Cb -0.14 -1.77 0.44 0.00 0.51 0.00 0.00 43.02 42.07 1h4u s PHE 507 CO 0.03 -0.24 1.08 0.43 0.70 0.00 0.00 175.22 177.21 1h4u n SER 508 N 3.39 3.61 -1.00 1.36 7.64 -1.19 -2.39 113.62 125.04 1h4u n SER 508 Ca -0.18 -3.33 0.03 0.00 1.01 0.00 0.00 58.87 56.40 1h4u n SER 508 Cb 0.53 -0.47 -0.01 0.00 -1.01 0.00 0.00 64.21 63.26 1h4u n SER 508 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1h4u n GLY 509 N -0.40 -0.99 3.75 0.23 0.00 -0.77 -4.75 105.19 102.25 1h4u n GLY 509 Ca 0.29 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 1h4u n GLY 509 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h4u s ILE 510 N -0.29 3.54 0.59 -0.61 1.01 -1.26 -2.42 121.20 121.74 1h4u s ILE 510 Ca 0.00 1.48 0.07 0.00 0.00 0.00 0.00 60.65 62.20 1h4u s ILE 510 Cb 0.00 -3.94 0.08 0.00 0.01 0.00 0.00 42.46 38.61 1h4u s ILE 510 CO 0.00 0.33 0.81 1.51 0.00 0.00 0.00 174.94 177.59 1h4u s ASP 511 N -0.65 5.01 0.59 3.58 1.47 0.70 -4.88 116.67 122.49 1h4u s ASP 511 Ca 0.46 -0.63 0.31 0.00 1.18 0.00 0.00 52.55 53.87 1h4u s ASP 511 Cb -0.32 0.03 1.34 0.00 -0.34 0.00 0.00 42.92 43.63 1h4u s ASP 511 CO 0.40 -1.38 1.68 -0.08 0.68 0.00 0.00 175.17 176.47 1h4u h GLU 512 N 0.07 0.00 -0.63 2.11 4.81 -1.97 0.52 114.58 119.48 1h4u h GLU 512 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1h4u h GLU 512 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1h4u h GLU 512 CO 0.42 0.00 0.00 0.72 -0.73 0.00 0.00 179.01 179.42 1h4u n HIS 513 N -3.66 0.86 -1.71 0.92 8.25 -1.26 -4.93 115.22 113.69 1h4u n HIS 513 Ca 0.18 -0.42 -0.06 0.00 -0.26 0.00 0.00 57.72 57.16 1h4u n HIS 513 Cb 1.12 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 32.20 1h4u n HIS 513 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1h4u n GLY 514 N 1.47 0.42 3.39 -1.41 0.00 0.18 -5.04 105.19 104.20 1h4u n GLY 514 Ca 0.21 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 1h4u n GLY 514 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1h4u s HIS 515 N -2.25 2.51 0.73 1.61 3.76 -1.25 -4.82 115.29 115.57 1h4u s HIS 515 Ca 0.00 -0.32 -0.14 0.00 -0.15 0.00 0.00 55.06 54.46 1h4u s HIS 515 Cb 0.00 -1.56 0.04 0.00 1.11 0.00 0.00 32.58 32.16 1h4u s HIS 515 CO 0.00 0.06 1.13 -0.51 -0.85 0.00 0.00 174.74 174.57 1h4u s LEU 516 N -0.65 3.24 0.07 0.89 1.02 -0.36 -0.21 118.68 122.68 1h4u s LEU 516 Ca 0.10 2.06 0.10 0.00 0.02 0.00 0.00 54.13 56.41 1h4u s LEU 516 Cb -0.10 -4.56 -0.03 0.00 0.02 0.00 0.00 46.19 41.52 1h4u s LEU 516 CO -0.00 -2.01 -0.26 0.42 0.02 0.00 0.00 176.35 174.51 1h4u s THR 517 N -2.41 2.23 -0.22 5.49 -4.23 -1.02 -2.07 115.64 113.42 1h4u s THR 517 Ca 0.67 -1.48 -0.09 0.00 -1.18 0.00 0.00 61.69 59.61 1h4u s THR 517 Cb -0.22 -1.91 0.09 0.00 1.34 0.00 0.00 72.50 71.80 1h4u s THR 517 CO 0.47 0.28 0.49 -0.51 -0.54 0.00 0.00 174.62 174.82 1h4u s ILE 518 N -0.89 -0.46 -0.12 2.99 2.07 -0.64 -3.15 121.20 121.00 1h4u s ILE 518 Ca 0.13 0.10 -0.02 0.00 -1.41 0.00 0.00 60.65 59.44 1h4u s ILE 518 Cb -0.10 -0.75 -0.03 0.00 0.13 0.00 0.00 42.46 41.71 1h4u s ILE 518 CO 0.03 0.04 -0.03 -0.94 -1.91 0.00 0.00 174.94 172.13 1h4u s SER 519 N 2.22 4.87 -0.07 4.50 1.04 0.02 -3.28 113.70 123.01 1h4u s SER 519 Ca -0.06 -0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.37 1h4u s SER 519 Cb -0.10 -1.58 0.00 0.00 0.10 0.00 0.00 66.02 64.45 1h4u s SER 519 CO -0.15 0.26 -0.19 -0.89 0.98 0.00 0.00 173.24 173.26 1h4u s THR 520 N -0.18 1.60 -0.13 2.02 2.01 0.30 -1.72 115.64 119.54 1h4u s THR 520 Ca 0.04 -0.78 -0.00 0.00 0.31 0.00 0.00 61.69 61.26 1h4u s THR 520 Cb -0.13 -1.40 0.02 0.00 0.01 0.00 0.00 72.50 71.01 1h4u s THR 520 CO 0.02 0.46 -0.10 -0.70 -0.69 0.00 0.00 174.62 173.61 1h4u s GLU 521 N 0.30 1.79 -0.04 4.92 2.12 -0.19 -1.01 118.70 126.59 1h4u s GLU 521 Ca -0.12 -0.36 0.06 0.00 0.36 0.00 0.00 54.97 54.91 1h4u s GLU 521 Cb -0.15 -1.76 -0.02 0.00 0.26 0.00 0.00 34.13 32.46 1h4u s GLU 521 CO 0.05 -0.26 -0.20 -0.51 -0.54 0.00 0.00 175.26 173.80 1h4u s LEU 522 N 1.64 2.38 -0.29 2.70 1.43 -0.34 -1.32 118.68 124.88 1h4u s LEU 522 Ca 0.05 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.68 1h4u s LEU 522 Cb -0.13 -1.44 0.11 0.00 0.03 0.00 0.00 46.19 44.76 1h4u s LEU 522 CO -0.09 0.33 0.67 -0.70 0.23 0.00 0.00 176.35 176.79 1h4u s GLU 523 N -0.64 0.64 0.00 1.70 2.12 -0.78 -2.17 118.70 119.57 1h4u s GLU 523 Ca 0.10 1.33 0.00 0.00 0.36 0.00 0.00 54.97 56.76 1h4u s GLU 523 Cb -0.10 0.51 0.00 0.00 0.26 0.00 0.00 34.13 34.79 1h4u s GLU 523 CO -0.00 -0.17 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 1h4u n GLY 524 N 4.88 0.09 3.59 -1.50 0.00 -0.83 -1.32 105.19 110.09 1h4u n GLY 524 Ca -0.16 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 1h4u n GLY 524 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1h4u s ARG 525 N -2.00 2.46 0.01 1.61 3.52 -0.59 -1.30 118.95 122.66 1h4u s ARG 525 Ca 0.00 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.81 1h4u s ARG 525 Cb 0.00 -2.45 -0.01 0.00 -1.56 0.00 0.00 34.95 30.93 1h4u s ARG 525 CO 0.00 0.58 -0.01 0.08 -0.81 0.00 0.00 175.30 175.14 1h4u s VAL 526 N -1.04 0.06 1.12 7.11 1.01 -0.81 -3.79 120.40 124.06 1h4u s VAL 526 Ca 0.18 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1h4u s VAL 526 Cb -0.11 -0.11 0.26 0.00 0.00 0.00 0.00 36.38 36.41 1h4u s VAL 526 CO 0.09 -0.17 1.05 -2.84 0.00 0.00 0.00 175.10 173.23 1h4u s PRO 527 N -0.51 -0.56 -0.10 2.72 0.02 -1.26 -1.39 135.00 133.92 1h4u s PRO 527 Ca -0.05 0.99 -0.13 0.00 0.02 0.00 0.00 61.00 61.83 1h4u s PRO 527 Cb -0.04 -1.58 -0.05 0.00 0.02 0.00 0.00 34.50 32.85 1h4u s PRO 527 CO -0.00 -3.53 0.32 -1.14 -0.33 0.00 0.00 177.00 172.31 1h4u s GLN 528 N -4.49 4.01 -0.12 5.54 0.74 -1.26 -4.29 119.66 119.79 1h4u s GLN 528 Ca 0.68 0.19 0.01 0.00 0.05 0.00 0.00 55.36 56.29 1h4u s GLN 528 Cb -0.25 -3.32 -0.01 0.00 1.10 0.00 0.00 33.01 30.53 1h4u s GLN 528 CO 0.63 0.47 -0.15 0.42 -0.55 0.00 0.00 175.29 176.11 1h4u s ILE 529 N -0.28 2.83 0.32 -2.34 1.01 -1.26 -4.98 121.20 116.50 1h4u s ILE 529 Ca 0.19 -0.74 -0.28 0.00 0.00 0.00 0.00 60.65 59.82 1h4u s ILE 529 Cb -0.14 -2.17 -0.13 0.00 0.01 0.00 0.00 42.46 40.03 1h4u s ILE 529 CO 0.07 0.53 1.12 -2.65 0.00 0.00 0.00 174.94 174.01 1h4u n PRO 530 N 3.53 1.65 -1.72 2.79 -0.02 -1.26 -4.50 135.00 135.46 1h4u n PRO 530 Ca -0.18 0.58 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 1h4u n PRO 530 Cb 0.53 -2.04 -0.01 0.00 -0.02 0.00 0.00 33.50 31.96 1h4u n PRO 530 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1h4u n TYR 531 N 0.22 2.53 -0.28 6.00 4.02 -1.26 -1.18 117.16 127.20 1h4u n TYR 531 Ca 0.08 0.50 0.00 0.00 -0.01 0.00 0.00 57.90 58.46 1h4u n TYR 531 Cb 0.34 -2.46 0.00 0.00 -0.02 0.00 0.00 39.34 37.20 1h4u n TYR 531 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1h4u n GLY 532 N 0.81 2.27 3.72 2.72 0.00 -1.26 -4.72 105.19 108.72 1h4u n GLY 532 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1h4u n GLY 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4u s ALA 533 N -3.14 1.83 0.33 4.61 0.00 -0.33 -4.28 121.76 120.79 1h4u s ALA 533 Ca 0.00 0.46 0.09 0.00 0.00 0.00 0.00 51.96 52.50 1h4u s ALA 533 Cb 0.00 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 1h4u s ALA 533 CO 0.00 -2.31 0.09 0.45 0.00 0.00 0.00 175.76 173.99 1h4u s SER 534 N -2.97 4.54 -0.08 0.00 0.15 0.10 -4.96 113.70 110.48 1h4u s SER 534 Ca 0.64 -0.81 -0.04 0.00 0.70 0.00 0.00 55.95 56.44 1h4u s SER 534 Cb -0.20 -0.70 0.04 0.00 -1.71 0.00 0.00 66.02 63.45 1h4u s SER 534 CO 0.57 -0.25 0.19 -0.69 1.20 0.00 0.00 173.24 174.26 1h4u s VAL 535 N -2.44 -0.04 -0.02 4.45 1.01 -1.26 -1.45 120.40 120.65 1h4u s VAL 535 Ca 0.36 0.16 0.07 0.00 0.00 0.00 0.00 61.98 62.57 1h4u s VAL 535 Cb -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 36.04 1h4u s VAL 535 CO 0.21 0.06 -0.24 -2.28 0.00 0.00 0.00 175.10 172.86 1h4u s HIS 536 N 1.15 2.15 -0.11 5.22 2.46 -0.10 -4.62 115.29 121.44 1h4u s HIS 536 Ca -0.09 -0.44 -0.00 0.00 0.47 0.00 0.00 55.06 55.00 1h4u s HIS 536 Cb -0.11 -1.39 0.02 0.00 -0.13 0.00 0.00 32.58 30.98 1h4u s HIS 536 CO -0.07 -0.06 -0.07 0.42 -2.47 0.00 0.00 174.74 172.49 1h4u s ILE 537 N -0.49 1.00 0.68 0.89 1.01 -1.26 -1.50 121.20 121.53 1h4u s ILE 537 Ca 0.07 -0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.35 1h4u s ILE 537 Cb -0.10 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.37 1h4u s ILE 537 CO -0.00 0.36 1.05 -1.61 0.00 0.00 0.00 174.94 174.74 1h4u s GLU 538 N 1.69 2.79 0.75 2.79 0.41 -1.26 -4.48 118.70 121.39 1h4u s GLU 538 Ca 0.04 0.29 -0.15 0.00 -0.41 0.00 0.00 54.97 54.75 1h4u s GLU 538 Cb -0.13 -2.08 0.00 0.00 -1.78 0.00 0.00 34.13 30.14 1h4u s GLU 538 CO -0.08 -1.00 0.82 -2.30 -0.49 0.00 0.00 175.26 172.21 1h4u n PRO 539 N -2.92 0.33 -3.63 0.39 -0.02 -1.26 -4.96 135.00 122.94 1h4u n PRO 539 Ca 0.06 0.17 -0.09 0.00 -2.02 0.00 0.00 63.50 61.63 1h4u n PRO 539 Cb 0.58 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.94 1h4u n PRO 539 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1h4u s TYR 540 N -1.93 -0.34 0.14 6.00 -0.85 -0.03 -5.01 117.35 115.33 1h4u s TYR 540 Ca 0.70 0.04 0.10 0.00 -0.52 0.00 0.00 57.07 57.38 1h4u s TYR 540 Cb -0.33 0.62 -0.04 0.00 0.38 0.00 0.00 41.96 42.59 1h4u s TYR 540 CO 0.54 -0.93 -0.23 0.95 -1.52 0.00 0.00 175.55 174.36 1h4u s THR 541 N -3.65 2.01 -0.01 -3.49 -4.23 -1.26 -0.75 115.64 104.25 1h4u s THR 541 Ca 0.06 -1.77 0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1h4u s THR 541 Cb -0.03 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.97 1h4u s THR 541 CO -0.04 -0.08 -0.03 -1.61 -0.54 0.00 0.00 174.62 172.33 1h4u s GLU 542 N -2.27 0.30 -0.24 3.99 2.02 -0.02 -4.96 118.70 117.52 1h4u s GLU 542 Ca 0.13 -0.10 -0.11 0.00 0.02 0.00 0.00 54.97 54.91 1h4u s GLU 542 Cb -0.09 -0.32 -0.05 0.00 0.10 0.00 0.00 34.13 33.77 1h4u s GLU 542 CO 0.06 0.04 0.19 -0.51 0.02 0.00 0.00 175.26 175.07 1h4u s LEU 543 N 0.11 4.11 -0.27 1.80 1.43 -1.26 -0.26 118.68 124.33 1h4u s LEU 543 Ca -0.01 0.15 -0.07 0.00 -1.03 0.00 0.00 54.13 53.18 1h4u s LEU 543 Cb -0.04 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 44.02 1h4u s LEU 543 CO -0.00 0.03 0.07 -0.31 0.23 0.00 0.00 176.35 176.37 1h4u s TYR 544 N 1.17 3.11 -0.09 0.29 1.51 0.33 -4.43 117.35 119.23 1h4u s TYR 544 Ca 0.09 -0.80 -0.18 0.00 -1.01 0.00 0.00 57.07 55.16 1h4u s TYR 544 Cb -0.14 -2.24 -0.04 0.00 -0.11 0.00 0.00 41.96 39.43 1h4u s TYR 544 CO 0.06 -0.51 0.49 -1.01 -1.11 0.00 0.00 175.55 173.47 1h4u s HIS 545 N 1.53 3.56 -0.12 2.71 3.76 -0.08 -1.77 115.29 124.87 1h4u s HIS 545 Ca 0.04 0.95 -0.00 0.00 -0.15 0.00 0.00 55.06 55.90 1h4u s HIS 545 Cb -0.16 -2.54 -0.02 0.00 1.11 0.00 0.00 32.58 30.97 1h4u s HIS 545 CO 0.02 0.23 -0.11 -0.47 -0.85 0.00 0.00 174.74 173.56 1h4u s TYR 546 N 0.37 2.84 -0.30 1.40 5.04 -0.00 -1.47 117.35 125.23 1h4u s TYR 546 Ca 0.27 -0.52 -0.10 0.00 -2.44 0.00 0.00 57.07 54.28 1h4u s TYR 546 Cb -0.16 -1.84 0.17 0.00 0.35 0.00 0.00 41.96 40.48 1h4u s TYR 546 CO 0.12 -0.13 0.83 -1.54 -1.34 0.00 0.00 175.55 173.49 1h4u s SER 547 N 0.21 -0.89 -1.09 4.32 1.04 -0.68 -4.63 113.70 111.99 1h4u s SER 547 Ca -0.07 0.87 -0.13 0.00 0.48 0.00 0.00 55.95 57.10 1h4u s SER 547 Cb -0.15 1.87 -0.04 0.00 0.10 0.00 0.00 66.02 67.80 1h4u s SER 547 CO 0.05 -0.17 0.86 -1.20 0.98 0.00 0.00 173.24 173.76 1h4u n SER 548 N 5.31 -6.08 -1.99 7.02 7.64 -1.26 -2.77 113.62 121.49 1h4u n SER 548 Ca -0.07 -0.85 -0.20 0.00 1.01 0.00 0.00 58.87 58.76 1h4u n SER 548 Cb 0.52 -4.39 -0.04 0.00 -1.01 0.00 0.00 64.21 59.28 1h4u n SER 548 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1h4u n SER 549 N -2.97 -5.66 -3.80 6.43 7.64 -1.26 -4.97 113.62 109.03 1h4u n SER 549 Ca -0.08 0.22 -0.14 0.00 1.01 0.00 0.00 58.87 59.88 1h4u n SER 549 Cb 0.61 -4.80 -0.15 0.00 -1.01 0.00 0.00 64.21 58.86 1h4u n SER 549 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1h4u s VAL 550 N -2.90 -0.04 -0.09 0.44 1.01 -1.11 -3.05 120.40 114.65 1h4u s VAL 550 Ca 0.00 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.14 1h4u s VAL 550 Cb 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.31 1h4u s VAL 550 CO 0.00 0.05 -0.20 -0.63 0.00 0.00 0.00 175.10 174.32 1h4u s ILE 551 N 0.67 1.77 0.16 2.22 1.01 0.28 -1.68 121.20 125.63 1h4u s ILE 551 Ca -0.06 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 59.83 1h4u s ILE 551 Cb -0.08 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 1h4u s ILE 551 CO -0.02 0.50 -0.19 0.42 0.00 0.00 0.00 174.94 175.65 1h4u s THR 552 N 0.50 1.81 -0.05 2.92 -4.23 -0.54 0.94 115.64 116.99 1h4u s THR 552 Ca -0.16 -1.87 -0.19 0.00 -1.18 0.00 0.00 61.69 58.29 1h4u s THR 552 Cb -0.17 -1.81 0.04 0.00 1.34 0.00 0.00 72.50 71.90 1h4u s THR 552 CO 0.06 -0.28 0.43 -0.55 -0.54 0.00 0.00 174.62 173.74 1h4u s SER 553 N -2.56 -0.36 -0.10 3.99 0.15 -0.53 -0.91 113.70 113.38 1h4u s SER 553 Ca 0.15 0.39 -0.04 0.00 0.70 0.00 0.00 55.95 57.14 1h4u s SER 553 Cb -0.06 0.48 0.05 0.00 -1.71 0.00 0.00 66.02 64.77 1h4u s SER 553 CO 0.06 -0.44 0.22 -0.55 1.20 0.00 0.00 173.24 173.73 1h4u s SER 554 N -1.03 -0.12 -0.15 5.45 0.15 -1.26 -0.60 113.70 116.15 1h4u s SER 554 Ca -0.11 0.46 -0.13 0.00 0.70 0.00 0.00 55.95 56.87 1h4u s SER 554 Cb -0.04 0.36 0.04 0.00 -1.71 0.00 0.00 66.02 64.68 1h4u s SER 554 CO 0.05 -0.17 0.40 -0.55 1.20 0.00 0.00 173.24 174.17 1h4u s SER 555 N 1.39 -0.43 -0.25 5.45 0.15 0.22 -4.83 113.70 115.40 1h4u s SER 555 Ca -0.08 0.82 -0.05 0.00 0.70 0.00 0.00 55.95 57.34 1h4u s SER 555 Cb -0.11 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1h4u s SER 555 CO -0.08 -0.15 0.01 -0.89 1.20 0.00 0.00 173.24 173.33 1h4u s THR 556 N 0.43 3.60 0.28 6.45 2.01 -1.26 0.02 115.64 127.17 1h4u s THR 556 Ca -0.02 -0.60 0.02 0.00 0.31 0.00 0.00 61.69 61.40 1h4u s THR 556 Cb -0.04 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.67 1h4u s THR 556 CO -0.02 0.26 0.09 -0.13 -0.69 0.00 0.00 174.62 174.14 1h4u s ARG 557 N 1.48 1.49 0.21 4.92 0.52 -0.63 -5.00 118.95 121.93 1h4u s ARG 557 Ca 0.04 -1.82 0.09 0.00 -0.52 0.00 0.00 55.73 53.52 1h4u s ARG 557 Cb -0.16 -0.39 -0.05 0.00 0.52 0.00 0.00 34.95 34.88 1h4u s ARG 557 CO -0.01 -0.29 -0.18 -1.83 0.02 0.00 0.00 175.30 173.02 1h4u s GLU 558 N -3.98 1.40 0.03 3.54 -1.05 -1.26 -1.50 118.70 115.87 1h4u s GLU 558 Ca 0.37 -1.56 -0.09 0.00 -0.15 0.00 0.00 54.97 53.54 1h4u s GLU 558 Cb 0.08 -1.39 0.00 0.00 -0.44 0.00 0.00 34.13 32.38 1h4u s GLU 558 CO 0.14 0.26 0.19 1.52 0.95 0.00 0.00 175.26 178.32 1h4u s TYR 559 N -2.43 0.04 -0.09 4.83 -0.85 -0.43 -4.68 117.35 113.74 1h4u s TYR 559 Ca 0.21 -0.22 0.01 0.00 -0.52 0.00 0.00 57.07 56.56 1h4u s TYR 559 Cb -0.04 -0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.25 1h4u s TYR 559 CO 0.09 -0.39 -0.11 0.99 -1.52 0.00 0.00 175.55 174.60 1h4u s THR 560 N -2.23 3.25 -0.17 -3.49 2.01 -0.56 -0.81 115.64 113.64 1h4u s THR 560 Ca -0.08 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 1h4u s THR 560 Cb -0.03 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.13 1h4u s THR 560 CO -0.02 0.56 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.75 1h4u s VAL 561 N -0.26 3.87 -0.16 3.82 1.01 -0.20 -0.93 120.40 127.56 1h4u s VAL 561 Ca 0.02 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1h4u s VAL 561 Cb -0.13 -2.72 0.01 0.00 0.00 0.00 0.00 36.38 33.55 1h4u s VAL 561 CO 0.03 0.47 -0.21 -0.32 0.00 0.00 0.00 175.10 175.06 1h4u s MET 562 N 0.65 2.99 0.88 2.72 1.75 -0.53 -0.85 119.30 126.92 1h4u s MET 562 Ca -0.02 -0.84 -0.10 0.00 -1.25 0.00 0.00 55.69 53.48 1h4u s MET 562 Cb -0.14 -2.48 0.13 0.00 2.84 0.00 0.00 34.83 35.17 1h4u s MET 562 CO 0.02 -0.10 1.13 -1.21 -0.65 0.00 0.00 175.02 174.22 1h4u s GLU 563 N 1.01 1.30 0.00 4.11 2.02 -1.26 0.02 118.70 125.91 1h4u s GLU 563 Ca -0.02 1.43 0.00 0.00 0.02 0.00 0.00 54.97 56.40 1h4u s GLU 563 Cb -0.14 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.32 1h4u s GLU 563 CO -0.06 -2.39 0.00 -2.30 0.02 0.00 0.00 175.26 170.52 1h4u n PRO 564 N -4.06 0.00 -1.18 0.39 -0.02 -1.26 -4.72 135.00 124.14 1h4u n PRO 564 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1h4u n PRO 564 Cb 0.52 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 1h4u n PRO 564 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1h4u n PRO 571 N 0.45 -1.88 -4.34 0.52 -0.02 -1.26 -5.07 135.00 123.41 1h4u n PRO 571 Ca 0.00 1.67 -0.23 0.00 -2.02 0.00 0.00 63.50 62.91 1h4u n PRO 571 Cb 0.00 -1.63 -0.08 0.00 -0.02 0.00 0.00 33.50 31.77 1h4u n PRO 571 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1h4u s SER 572 N -0.19 4.27 -0.22 2.55 0.01 -1.26 -4.45 113.70 114.41 1h4u s SER 572 Ca 0.00 -0.78 -0.03 0.00 1.31 0.00 0.00 55.95 56.44 1h4u s SER 572 Cb 0.00 -0.67 0.11 0.00 0.21 0.00 0.00 66.02 65.67 1h4u s SER 572 CO 0.00 -0.02 0.27 -1.00 0.41 0.00 0.00 173.24 172.90 1h4u s HIS 573 N -2.39 -0.45 0.22 2.43 3.76 -0.03 -4.96 115.29 113.86 1h4u s HIS 573 Ca 0.32 0.37 -0.25 0.00 -0.15 0.00 0.00 55.06 55.34 1h4u s HIS 573 Cb -0.05 -0.26 -0.09 0.00 1.11 0.00 0.00 32.58 33.29 1h4u s HIS 573 CO 0.19 -0.67 0.82 0.99 -0.85 0.00 0.00 174.74 175.22 1h4u s THR 574 N 2.39 4.34 0.17 1.30 2.01 -1.26 -1.03 115.64 123.56 1h4u s THR 574 Ca 0.09 1.69 -0.01 0.00 0.31 0.00 0.00 61.69 63.77 1h4u s THR 574 Cb -0.15 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 1h4u s THR 574 CO -0.15 0.39 0.09 -1.00 -0.69 0.00 0.00 174.62 173.26 1h4u s HIS 575 N -1.32 1.03 0.01 4.92 3.76 0.01 -4.99 115.29 118.73 1h4u s HIS 575 Ca 0.41 -1.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 1h4u s HIS 575 Cb -0.21 -0.54 -0.01 0.00 1.11 0.00 0.00 32.58 32.93 1h4u s HIS 575 CO 0.25 -0.56 -0.03 0.96 -0.85 0.00 0.00 174.74 174.52 1h4u s ILE 576 N -4.08 0.14 0.06 0.60 -4.36 -1.26 -1.31 121.20 110.99 1h4u s ILE 576 Ca 0.32 -0.55 -0.00 0.00 -0.26 0.00 0.00 60.65 60.16 1h4u s ILE 576 Cb 0.07 -0.21 -0.04 0.00 1.25 0.00 0.00 42.46 43.53 1h4u s ILE 576 CO 0.07 -0.26 -0.04 -0.72 0.24 0.00 0.00 174.94 174.23 1h4u s TYR 577 N -0.82 0.62 -0.12 1.37 -0.00 -0.56 -2.74 117.35 115.10 1h4u s TYR 577 Ca -0.08 -1.02 0.02 0.00 -0.00 0.00 0.00 57.07 55.99 1h4u s TYR 577 Cb -0.06 -0.42 -0.00 0.00 -0.00 0.00 0.00 41.96 41.48 1h4u s TYR 577 CO -0.00 -0.31 -0.20 -0.65 -0.00 0.00 0.00 175.55 174.39 1h4u s GLN 578 N -3.85 3.14 -0.10 -3.49 -0.21 0.43 -1.61 119.66 113.96 1h4u s GLN 578 Ca 0.08 -0.82 -0.02 0.00 0.02 0.00 0.00 55.36 54.63 1h4u s GLN 578 Cb 0.07 -2.45 -0.03 0.00 1.00 0.00 0.00 33.01 31.60 1h4u s GLN 578 CO -0.08 0.11 -0.01 -1.58 -2.12 0.00 0.00 175.29 171.61 1h4u s TRP 579 N 0.53 3.12 -0.02 0.91 0.52 0.10 -1.54 118.94 122.56 1h4u s TRP 579 Ca -0.12 0.11 0.04 0.00 0.02 0.00 0.00 56.10 56.15 1h4u s TRP 579 Cb -0.17 -1.81 -0.01 0.00 -1.15 0.00 0.00 33.47 30.34 1h4u s TRP 579 CO 0.04 0.38 -0.14 1.03 0.02 0.00 0.00 176.95 178.28 1h4u s ARG 580 N -0.68 1.27 -0.06 4.98 0.52 -0.64 -0.61 118.95 123.73 1h4u s ARG 580 Ca 0.11 -0.50 -0.07 0.00 -0.52 0.00 0.00 55.73 54.74 1h4u s ARG 580 Cb -0.12 -1.18 0.02 0.00 0.52 0.00 0.00 34.95 34.19 1h4u s ARG 580 CO 0.02 0.27 0.20 -1.14 0.02 0.00 0.00 175.30 174.67 1h4u s GLN 581 N -0.17 0.30 -0.07 3.54 0.74 0.23 -1.25 119.66 122.98 1h4u s GLN 581 Ca 0.02 0.16 -0.01 0.00 0.05 0.00 0.00 55.36 55.58 1h4u s GLN 581 Cb -0.07 0.14 0.03 0.00 1.10 0.00 0.00 33.01 34.20 1h4u s GLN 581 CO 0.00 -0.05 -0.01 0.99 -0.55 0.00 0.00 175.29 175.67 1h4u s THR 582 N -0.18 0.47 -0.20 -0.34 2.01 -0.26 -1.45 115.64 115.68 1h4u s THR 582 Ca -0.03 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.99 1h4u s THR 582 Cb -0.03 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.90 1h4u s THR 582 CO 0.01 0.26 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.46 1h4u s ILE 583 N 1.74 2.88 -0.09 1.82 1.01 0.27 -1.70 121.20 127.13 1h4u s ILE 583 Ca 0.02 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1h4u s ILE 583 Cb -0.13 -2.28 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 1h4u s ILE 583 CO -0.05 0.47 -0.12 -0.89 0.00 0.00 0.00 174.94 174.35 1h4u s THR 584 N 1.34 3.17 0.35 2.92 2.01 -0.42 -0.56 115.64 124.46 1h4u s THR 584 Ca 0.04 -0.65 -0.11 0.00 0.31 0.00 0.00 61.69 61.28 1h4u s THR 584 Cb -0.14 -2.30 0.03 0.00 0.01 0.00 0.00 72.50 70.10 1h4u s THR 584 CO -0.06 0.56 0.65 0.72 -0.69 0.00 0.00 174.62 175.79 1h4u s PHE 585 N -0.19 0.45 -0.04 4.92 -0.12 -1.17 -1.34 117.98 120.49 1h4u s PHE 585 Ca 0.00 -0.93 0.05 0.00 -0.05 0.00 0.00 56.93 56.00 1h4u s PHE 585 Cb -0.13 0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 42.69 1h4u s PHE 585 CO 0.03 -1.35 -0.18 1.14 -0.05 0.00 0.00 175.22 174.81 1h4u s GLN 586 N -2.82 2.41 0.07 1.99 -2.07 -1.26 -4.79 119.66 113.19 1h4u s GLN 586 Ca 0.21 -0.78 0.09 0.00 -1.82 0.00 0.00 55.36 53.06 1h4u s GLN 586 Cb -0.03 -2.27 -0.03 0.00 -1.09 0.00 0.00 33.01 29.59 1h4u s GLN 586 CO 0.14 0.58 -0.24 -1.21 -1.32 0.00 0.00 175.29 173.25 1h4u s GLU 587 N -0.64 1.76 0.00 9.60 2.02 -1.26 -4.99 118.70 125.20 1h4u s GLU 587 Ca 0.10 -1.15 -0.01 0.00 0.02 0.00 0.00 54.97 53.93 1h4u s GLU 587 Cb -0.11 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 1h4u s GLU 587 CO 0.00 0.50 1.01 0.00 0.02 0.00 0.00 175.26 176.80 1h4u n PRO 595 N -2.13 0.00 -0.97 0.00 -0.02 -1.26 -5.12 135.00 125.50 1h4u n PRO 595 Ca -0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 1h4u n PRO 595 Cb 0.01 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 33.54 1h4u n PRO 595 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h4u n ALA 596 N 0.00 -5.15 -1.81 3.55 0.00 -1.26 -4.94 120.51 110.91 1h4u n ALA 596 Ca 0.00 -0.69 -0.33 0.00 0.00 0.00 0.00 53.44 52.42 1h4u n ALA 596 Cb 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 19.45 18.19 1h4u n ALA 596 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1h4u s LEU 597 N 6.82 3.79 0.29 0.00 1.43 -1.26 -5.00 118.68 124.75 1h4u s LEU 597 Ca 0.42 1.72 -0.30 0.00 -1.03 0.00 0.00 54.13 54.94 1h4u s LEU 597 Cb -0.18 -4.53 -0.12 0.00 0.03 0.00 0.00 46.19 41.38 1h4u s LEU 597 CO 0.81 -0.59 1.44 -2.65 0.23 0.00 0.00 176.35 175.59 1h4u n PRO 598 N -1.11 2.31 0.29 1.29 -0.02 -1.26 -4.86 135.00 131.64 1h4u n PRO 598 Ca 0.07 0.82 0.17 0.00 -2.02 0.00 0.00 63.50 62.54 1h4u n PRO 598 Cb 0.54 -2.50 0.90 0.00 -0.02 0.00 0.00 33.50 32.42 1h4u n PRO 598 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1h4u h SER 599 N 3.90 0.00 -3.51 2.55 0.02 -1.95 -3.41 113.55 111.16 1h4u h SER 599 Ca -0.46 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.25 1h4u h SER 599 Cb 1.26 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.49 1h4u h SER 599 CO 0.73 0.05 -0.59 -0.89 -1.14 0.00 0.00 176.83 174.98 1h4u s THR 600 N -4.20 -0.04 0.06 -2.27 2.01 -1.26 -0.82 115.64 109.12 1h4u s THR 600 Ca -0.03 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.16 1h4u s THR 600 Cb 0.13 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.39 1h4u s THR 600 CO 0.52 0.06 -0.15 -1.10 -0.69 0.00 0.00 174.62 173.27 1h4u s GLN 601 N 0.93 0.90 -0.15 4.92 -0.21 -0.73 -4.90 119.66 120.43 1h4u s GLN 601 Ca -0.07 -0.86 -0.01 0.00 0.02 0.00 0.00 55.36 54.43 1h4u s GLN 601 Cb -0.09 -0.92 -0.02 0.00 1.00 0.00 0.00 33.01 32.98 1h4u s GLN 601 CO -0.05 0.22 -0.10 -1.14 -2.12 0.00 0.00 175.29 172.10 1h4u s GLN 602 N -1.43 3.43 -0.23 2.91 0.74 0.17 -0.51 119.66 124.73 1h4u s GLN 602 Ca 0.00 -0.65 -0.10 0.00 0.05 0.00 0.00 55.36 54.66 1h4u s GLN 602 Cb -0.09 -2.74 -0.05 0.00 1.10 0.00 0.00 33.01 31.24 1h4u s GLN 602 CO 0.02 0.15 0.15 -1.17 -0.55 0.00 0.00 175.29 173.89 1h4u s LEU 603 N 0.53 4.11 -0.26 3.68 2.96 0.65 -0.57 118.68 129.78 1h4u s LEU 603 Ca -0.07 0.13 -0.07 0.00 -0.22 0.00 0.00 54.13 53.90 1h4u s LEU 603 Cb -0.15 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 1h4u s LEU 603 CO 0.04 0.09 0.05 -0.44 -1.32 0.00 0.00 176.35 174.77 1h4u s SER 604 N 0.89 4.99 -0.14 3.68 0.01 0.20 -0.84 113.70 122.49 1h4u s SER 604 Ca 0.07 -0.38 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 1h4u s SER 604 Cb -0.13 -1.88 -0.02 0.00 0.21 0.00 0.00 66.02 64.20 1h4u s SER 604 CO 0.03 -0.08 -0.08 -0.69 0.41 0.00 0.00 173.24 172.83 1h4u s VAL 605 N 1.56 3.47 0.33 3.43 1.01 0.07 -1.91 120.40 128.35 1h4u s VAL 605 Ca 0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1h4u s VAL 605 Cb -0.16 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1h4u s VAL 605 CO 0.02 0.51 0.42 1.51 0.00 0.00 0.00 175.10 177.56 1h4u s ASP 606 N 0.30 0.92 -1.29 3.32 -4.77 -1.10 -0.85 116.67 113.19 1h4u s ASP 606 Ca -0.07 -1.49 -0.06 0.00 -3.30 0.00 0.00 52.55 47.64 1h4u s ASP 606 Cb -0.15 0.62 -0.00 0.00 -1.09 0.00 0.00 42.92 42.30 1h4u s ASP 606 CO 0.04 -1.22 0.62 -1.20 0.70 0.00 0.00 175.17 174.12 1h4u n SER 607 N -1.28 -2.08 -4.75 2.11 7.64 -1.26 -1.62 113.62 112.38 1h4u n SER 607 Ca 0.02 -0.94 -0.38 0.00 1.01 0.00 0.00 58.87 58.58 1h4u n SER 607 Cb 0.62 -3.54 -0.06 0.00 -1.01 0.00 0.00 64.21 60.22 1h4u n SER 607 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1h4u s VAL 608 N -3.72 5.06 -0.02 0.44 1.01 -1.26 -4.20 120.40 117.71 1h4u s VAL 608 Ca 0.14 1.05 0.01 0.00 0.00 0.00 0.00 61.98 63.18 1h4u s VAL 608 Cb -0.05 -3.85 0.02 0.00 0.00 0.00 0.00 36.38 32.51 1h4u s VAL 608 CO 0.85 0.39 -0.00 -0.36 0.00 0.00 0.00 175.10 175.98 1h4u s PHE 609 N 0.10 0.29 -0.05 5.22 0.40 -0.15 -4.68 117.98 119.11 1h4u s PHE 609 Ca 0.28 -0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.64 1h4u s PHE 609 Cb -0.16 -0.35 0.00 0.00 0.51 0.00 0.00 43.02 43.02 1h4u s PHE 609 CO 0.13 -0.10 -0.15 0.14 0.70 0.00 0.00 175.22 175.94 1h4u s VAL 610 N 0.79 1.30 0.00 -0.44 -7.23 -1.26 -0.77 120.40 112.79 1h4u s VAL 610 Ca -0.08 -0.62 -0.04 0.00 -1.81 0.00 0.00 61.98 59.43 1h4u s VAL 610 Cb -0.11 -1.14 -0.00 0.00 0.56 0.00 0.00 36.38 35.68 1h4u s VAL 610 CO -0.01 0.38 0.07 -0.76 -0.31 0.00 0.00 175.10 174.47 1h4u s LEU 611 N 0.27 1.81 -0.05 1.32 1.43 -0.21 -4.75 118.68 118.49 1h4u s LEU 611 Ca -0.08 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 1h4u s LEU 611 Cb -0.13 0.40 0.03 0.00 0.03 0.00 0.00 46.19 46.52 1h4u s LEU 611 CO 0.03 -0.28 0.03 -0.47 0.23 0.00 0.00 176.35 175.90 1h4u s TYR 612 N -1.11 0.31 -0.34 0.29 5.04 -1.26 -0.51 117.35 119.77 1h4u s TYR 612 Ca -0.12 0.08 -0.08 0.00 -2.44 0.00 0.00 57.07 54.50 1h4u s TYR 612 Cb -0.07 -0.59 0.03 0.00 0.35 0.00 0.00 41.96 41.68 1h4u s TYR 612 CO 0.00 -0.24 0.14 1.21 -1.34 0.00 0.00 175.55 175.33 1h4u s ASN 613 N 1.99 5.43 0.26 4.32 3.84 -1.14 -4.98 114.94 124.67 1h4u s ASN 613 Ca 0.04 -0.97 -0.04 0.00 0.21 0.00 0.00 52.86 52.10 1h4u s ASN 613 Cb -0.12 -1.93 0.35 0.00 -0.55 0.00 0.00 41.25 39.00 1h4u s ASN 613 CO -0.04 -0.31 1.90 0.50 -2.79 0.00 0.00 177.10 176.36 1h4u h LYS 614 N 8.30 1.22 0.71 0.43 3.64 -1.96 1.32 116.57 130.23 1h4u h LYS 614 Ca -0.26 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.01 1h4u h LYS 614 Cb 1.10 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1h4u h LYS 614 CO 0.63 0.81 -0.43 0.93 -2.27 0.00 0.00 179.45 179.11 1h4u h GLU 615 N 1.26 -1.03 0.00 1.90 3.07 -2.00 -3.17 114.58 114.60 1h4u h GLU 615 Ca 0.41 0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1h4u h GLU 615 Cb 0.03 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1h4u h GLU 615 CO -0.13 -0.69 -0.25 0.39 -1.40 0.00 0.00 179.01 176.92 1h4u n GLU 616 N -5.17 0.24 -3.53 2.33 -0.58 -1.17 -4.96 120.64 107.80 1h4u n GLU 616 Ca -0.13 0.14 -0.20 0.00 -0.42 0.00 0.00 57.16 56.55 1h4u n GLU 616 Cb 0.44 -1.72 0.08 0.00 -0.57 0.00 0.00 31.44 29.67 1h4u n GLU 616 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1h4u n ARG 617 N -2.10 -6.56 -4.20 3.49 1.74 0.45 -4.60 116.66 104.88 1h4u n ARG 617 Ca 0.05 0.79 -0.32 0.00 -0.77 0.00 0.00 57.85 57.61 1h4u n ARG 617 Cb 0.42 -5.74 -0.16 0.00 -1.02 0.00 0.00 32.46 25.96 1h4u n ARG 617 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1h4u s ILE 618 N -3.40 1.86 -0.19 0.55 1.01 -1.13 -1.37 121.20 118.53 1h4u s ILE 618 Ca 0.15 -0.82 -0.19 0.00 0.00 0.00 0.00 60.65 59.79 1h4u s ILE 618 Cb -0.07 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 1h4u s ILE 618 CO 0.75 0.51 0.55 -0.22 0.00 0.00 0.00 174.94 176.53 1h4u s LEU 619 N 1.26 4.16 0.02 2.97 2.96 -0.26 -2.88 118.68 126.91 1h4u s LEU 619 Ca 0.02 0.75 0.06 0.00 -0.22 0.00 0.00 54.13 54.74 1h4u s LEU 619 Cb -0.13 -2.77 -0.02 0.00 0.50 0.00 0.00 46.19 43.77 1h4u s LEU 619 CO -0.10 -0.19 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.43 1h4u s ARG 620 N 1.59 1.34 -0.04 1.98 0.52 0.33 0.07 118.95 124.74 1h4u s ARG 620 Ca 0.26 -0.79 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 1h4u s ARG 620 Cb -0.16 -1.37 0.02 0.00 0.52 0.00 0.00 34.95 33.96 1h4u s ARG 620 CO 0.10 0.36 -0.04 0.71 0.02 0.00 0.00 175.30 176.45 1h4u s TYR 621 N -0.65 0.68 -0.01 -0.53 4.12 -0.11 -1.04 117.35 119.81 1h4u s TYR 621 Ca 0.06 -0.17 0.01 0.00 0.02 0.00 0.00 57.07 56.99 1h4u s TYR 621 Cb -0.08 -0.61 0.00 0.00 -1.52 0.00 0.00 41.96 39.75 1h4u s TYR 621 CO 0.01 -0.17 -0.05 0.00 0.02 0.00 0.00 175.55 175.36 1h4u s ALA 622 N 0.85 0.43 -0.03 3.71 0.00 0.05 0.28 121.76 127.05 1h4u s ALA 622 Ca -0.11 -0.16 -0.29 0.00 0.00 0.00 0.00 51.96 51.40 1h4u s ALA 622 Cb -0.14 -0.15 0.09 0.00 0.00 0.00 0.00 23.12 22.91 1h4u s ALA 622 CO 0.00 0.08 0.76 -0.48 0.00 0.00 0.00 175.76 176.12 1h4u s LEU 623 N 0.08 -0.54 0.11 0.00 0.05 -1.02 -0.98 118.68 116.39 1h4u s LEU 623 Ca -0.00 0.42 0.03 0.00 0.05 0.00 0.00 54.13 54.62 1h4u s LEU 623 Cb -0.04 2.33 -0.04 0.00 -2.05 0.00 0.00 46.19 46.39 1h4u s LEU 623 CO -0.00 -0.62 0.18 -0.44 -0.55 0.00 0.00 176.35 174.92 1h4u s SER 624 N -1.63 5.97 0.00 1.48 0.01 -0.64 -1.83 113.70 117.06 1h4u s SER 624 Ca -0.05 0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.28 1h4u s SER 624 Cb -0.00 -1.72 -0.01 0.00 0.21 0.00 0.00 66.02 64.50 1h4u s SER 624 CO 0.01 0.11 0.03 0.20 0.41 0.00 0.00 173.24 174.01 1h4u s ASN 625 N -2.83 0.11 -0.06 2.44 0.01 -0.85 -2.72 114.94 111.04 1h4u s ASN 625 Ca 0.33 -0.26 -0.02 0.00 -0.71 0.00 0.00 52.86 52.19 1h4u s ASN 625 Cb -0.12 0.13 0.04 0.00 0.41 0.00 0.00 41.25 41.71 1h4u s ASN 625 CO 0.26 -0.24 0.12 -0.44 -1.51 0.00 0.00 177.10 175.29 1h4u s SER 626 N -1.03 -0.02 -0.12 -1.22 0.01 -0.80 -1.68 113.70 108.84 1h4u s SER 626 Ca -0.11 0.24 -0.01 0.00 1.31 0.00 0.00 55.95 57.38 1h4u s SER 626 Cb -0.07 0.13 -0.02 0.00 0.21 0.00 0.00 66.02 66.27 1h4u s SER 626 CO -0.00 -0.15 -0.09 -0.51 0.41 0.00 0.00 173.24 172.90 1h4u s ILE 627 N 1.22 3.42 0.00 1.44 1.10 -0.66 0.60 121.20 128.33 1h4u s ILE 627 Ca -0.08 -0.54 0.00 0.00 -0.51 0.00 0.00 60.65 59.51 1h4u s ILE 627 Cb -0.12 -2.44 0.00 0.00 0.15 0.00 0.00 42.46 40.05 1h4u s ILE 627 CO -0.05 0.54 0.00 0.61 -2.11 0.00 0.00 174.94 173.92 1h4u n GLY 628 N 3.16 1.74 3.90 1.50 0.00 0.26 -2.84 105.19 112.92 1h4u n GLY 628 Ca -0.18 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 1h4u n GLY 628 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h4u s PRO 629 N 1.87 3.28 0.37 1.61 0.04 -1.26 0.43 135.00 141.35 1h4u s PRO 629 Ca 0.00 -0.66 -0.28 0.00 0.04 0.00 0.00 61.00 60.10 1h4u s PRO 629 Cb 0.00 -2.88 -0.11 0.00 0.04 0.00 0.00 34.50 31.55 1h4u s PRO 629 CO 0.00 0.52 1.49 0.08 0.04 0.00 0.00 177.00 179.13 1h4u s VAL 630 N -1.72 2.05 0.00 -0.36 1.01 -1.26 -4.82 120.40 115.30 1h4u s VAL 630 Ca 0.33 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.36 1h4u s VAL 630 Cb -0.11 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.24 1h4u s VAL 630 CO 0.27 0.01 0.18 0.54 0.00 0.00 0.00 175.10 176.10