#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fwu n ALA 502 N 0.00 1.23 -3.38 1.57 0.00 -1.26 -4.38 120.51 114.28 2fwu n ALA 502 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2fwu n ALA 502 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 2fwu n ALA 502 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2fwu s GLY 503 N -3.23 -0.63 -0.57 0.00 0.00 -1.26 -4.44 107.32 97.20 2fwu s GLY 503 Ca 0.00 1.50 -0.21 0.00 0.00 0.00 0.00 44.72 46.01 2fwu s GLY 503 CO 0.00 2.89 0.81 -0.42 0.00 0.00 0.00 173.10 176.39 2fwu s ILE 504 N 2.70 4.59 -0.29 0.90 1.09 -1.26 -4.01 121.20 124.92 2fwu s ILE 504 Ca 0.10 -0.28 0.00 0.00 -1.10 0.00 0.00 60.65 59.37 2fwu s ILE 504 Cb -0.14 -4.49 0.06 0.00 -1.06 0.00 0.00 42.46 36.83 2fwu s ILE 504 CO -0.17 -1.10 -0.04 -0.36 -0.10 0.00 0.00 174.94 173.17 2fwu s PHE 505 N 3.39 3.29 0.17 3.97 0.08 -1.26 -2.06 117.98 125.56 2fwu s PHE 505 Ca 0.21 -2.13 -0.12 0.00 0.12 0.00 0.00 56.93 55.01 2fwu s PHE 505 Cb -0.17 -2.09 0.01 0.00 -0.57 0.00 0.00 43.02 40.20 2fwu s PHE 505 CO 0.13 -0.85 0.37 -0.08 -0.10 0.00 0.00 175.22 174.69 2fwu s THR 506 N 1.17 0.06 0.40 0.64 -1.32 -1.25 -0.89 115.64 114.44 2fwu s THR 506 Ca -0.06 -1.12 0.03 0.00 -1.21 0.00 0.00 61.69 59.33 2fwu s THR 506 Cb -0.20 -1.68 -0.00 0.00 -1.51 0.00 0.00 72.50 69.11 2fwu s THR 506 CO -0.03 -0.26 0.58 -0.36 -2.21 0.00 0.00 174.62 172.34 2fwu s PHE 507 N -3.92 3.14 -0.16 9.09 0.08 -1.17 -1.54 117.98 123.51 2fwu s PHE 507 Ca 0.13 -0.00 0.13 0.00 0.12 0.00 0.00 56.93 57.30 2fwu s PHE 507 Cb 0.02 -2.19 -0.19 0.00 -0.57 0.00 0.00 43.02 40.09 2fwu s PHE 507 CO -0.02 -0.22 0.03 -0.85 -0.10 0.00 0.00 175.22 174.05 2fwu n GLU 508 N -1.88 1.29 -3.99 0.44 -0.00 -1.26 -4.81 120.64 110.42 2fwu n GLU 508 Ca 0.01 0.00 -0.35 0.00 -0.00 0.00 0.00 57.16 56.82 2fwu n GLU 508 Cb 0.58 -1.41 -0.12 0.00 -0.00 0.00 0.00 31.44 30.48 2fwu n GLU 508 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2fwu s GLU 509 N -2.39 3.64 0.12 3.44 -1.05 -1.26 -4.97 118.70 116.22 2fwu s GLU 509 Ca -0.10 -0.51 0.26 0.00 -0.15 0.00 0.00 54.97 54.48 2fwu s GLU 509 Cb 0.05 -3.14 0.81 0.00 -0.44 0.00 0.00 34.13 31.41 2fwu s GLU 509 CO 0.64 -0.03 1.70 -0.35 0.95 0.00 0.00 175.26 178.18 2fwu n PRO 510 N 4.38 0.18 -3.89 -4.83 -0.04 -1.26 -4.74 135.00 124.79 2fwu n PRO 510 Ca -0.17 0.12 -0.15 0.00 -0.04 0.00 0.00 63.50 63.25 2fwu n PRO 510 Cb 0.52 -1.68 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 2fwu n PRO 510 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2fwu s VAL 511 N -3.08 0.09 0.02 0.52 1.01 -1.26 0.06 120.40 117.76 2fwu s VAL 511 Ca 0.11 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.18 2fwu s VAL 511 Cb 0.15 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.35 2fwu s VAL 511 CO 0.61 0.09 -0.06 0.28 0.00 0.00 0.00 175.10 176.02 2fwu s THR 512 N 0.69 0.44 -0.09 3.92 -1.32 0.23 -4.84 115.64 114.67 2fwu s THR 512 Ca -0.06 -0.70 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 2fwu s THR 512 Cb -0.09 -0.46 -0.03 0.00 -1.51 0.00 0.00 72.50 70.41 2fwu s THR 512 CO -0.02 -0.19 -0.07 -1.00 -2.21 0.00 0.00 174.62 171.14 2fwu s HIS 513 N -0.86 2.94 0.11 9.09 3.76 -1.26 -1.25 115.29 127.82 2fwu s HIS 513 Ca -0.06 -0.07 0.07 0.00 -0.15 0.00 0.00 55.06 54.86 2fwu s HIS 513 Cb -0.07 -1.76 -0.04 0.00 1.11 0.00 0.00 32.58 31.83 2fwu s HIS 513 CO 0.00 0.24 -0.18 0.14 -0.85 0.00 0.00 174.74 174.09 2fwu s VAL 514 N -0.56 1.56 0.41 -0.90 -7.23 -0.86 -4.96 120.40 107.86 2fwu s VAL 514 Ca 0.08 -1.59 -0.23 0.00 -1.81 0.00 0.00 61.98 58.43 2fwu s VAL 514 Cb -0.12 -1.51 -0.09 0.00 0.56 0.00 0.00 36.38 35.22 2fwu s VAL 514 CO 0.02 -0.18 1.02 -0.55 -0.31 0.00 0.00 175.10 175.10 2fwu s SER 515 N -2.08 6.78 0.00 4.85 0.15 -1.26 -3.49 113.70 118.65 2fwu s SER 515 Ca 0.07 1.95 0.22 0.00 0.70 0.00 0.00 55.95 58.89 2fwu s SER 515 Cb -0.09 -2.57 1.06 0.00 -1.71 0.00 0.00 66.02 62.71 2fwu s SER 515 CO 0.04 -0.47 1.72 1.21 1.20 0.00 0.00 173.24 176.94 2fwu n GLU 516 N -0.21 0.19 -0.59 5.44 2.13 -1.15 -2.43 120.64 124.01 2fwu n GLU 516 Ca 0.06 0.09 0.04 0.00 0.66 0.00 0.00 57.16 58.01 2fwu n GLU 516 Cb 0.51 -1.50 0.25 0.00 0.27 0.00 0.00 31.44 30.97 2fwu n GLU 516 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2fwu n SER 517 N -1.37 3.66 -4.92 4.31 2.88 -1.26 -4.67 113.62 112.25 2fwu n SER 517 Ca 0.09 -3.22 -0.27 0.00 -1.33 0.00 0.00 58.87 54.13 2fwu n SER 517 Cb 0.21 -0.59 -0.03 0.00 -0.75 0.00 0.00 64.21 63.05 2fwu n SER 517 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 2fwu s ILE 518 N -2.95 5.09 0.00 2.46 2.07 -1.02 -5.04 121.20 121.81 2fwu s ILE 518 Ca 0.44 -0.17 0.00 0.00 -1.41 0.00 0.00 60.65 59.52 2fwu s ILE 518 Cb 0.37 -3.76 0.00 0.00 0.13 0.00 0.00 42.46 39.20 2fwu s ILE 518 CO 0.07 -0.32 0.00 0.61 -1.91 0.00 0.00 174.94 173.39 2fwu n GLY 519 N -1.01 -0.44 3.16 1.50 0.00 -1.26 -4.49 105.19 102.65 2fwu n GLY 519 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2fwu n GLY 519 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fwu s ILE 520 N -0.95 2.63 -0.03 -0.61 -1.09 -1.26 -1.41 121.20 118.48 2fwu s ILE 520 Ca 0.00 -1.19 -0.16 0.00 -2.23 0.00 0.00 60.65 57.07 2fwu s ILE 520 Cb 0.00 -2.37 -0.05 0.00 -1.58 0.00 0.00 42.46 38.45 2fwu s ILE 520 CO 0.00 0.16 0.42 0.00 -1.23 0.00 0.00 174.94 174.29 2fwu s MET 521 N 1.26 4.03 -0.20 2.79 0.23 -0.56 -4.88 119.30 121.97 2fwu s MET 521 Ca -0.02 0.42 0.01 0.00 -1.03 0.00 0.00 55.69 55.07 2fwu s MET 521 Cb -0.17 -3.27 0.04 0.00 -1.53 0.00 0.00 34.83 29.90 2fwu s MET 521 CO -0.05 0.57 -0.11 -1.21 -2.03 0.00 0.00 175.02 172.19 2fwu s GLU 522 N -0.69 2.10 -0.12 3.16 2.02 -1.25 -1.28 118.70 122.63 2fwu s GLU 522 Ca 0.24 -0.88 -0.05 0.00 0.02 0.00 0.00 54.97 54.30 2fwu s GLU 522 Cb -0.16 -2.45 -0.04 0.00 0.10 0.00 0.00 34.13 31.57 2fwu s GLU 522 CO 0.13 -0.42 0.07 0.08 0.02 0.00 0.00 175.26 175.13 2fwu s VAL 523 N 1.37 4.88 0.26 2.63 1.01 -1.14 -4.88 120.40 124.53 2fwu s VAL 523 Ca -0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.75 2fwu s VAL 523 Cb -0.16 -3.11 -0.09 0.00 0.00 0.00 0.00 36.38 33.02 2fwu s VAL 523 CO -0.08 0.58 0.75 -0.54 0.00 0.00 0.00 175.10 175.81 2fwu s LYS 524 N -0.71 4.22 -0.08 2.72 -0.14 -1.26 -1.75 119.74 122.75 2fwu s LYS 524 Ca 0.12 0.87 0.04 0.00 -1.36 0.00 0.00 55.97 55.63 2fwu s LYS 524 Cb -0.12 -2.75 0.00 0.00 -1.68 0.00 0.00 37.83 33.28 2fwu s LYS 524 CO 0.03 0.32 -0.20 0.08 -0.76 0.00 0.00 175.35 174.81 2fwu s VAL 525 N -1.65 1.73 0.27 3.17 1.01 -0.64 -4.43 120.40 119.85 2fwu s VAL 525 Ca 0.47 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 2fwu s VAL 525 Cb -0.15 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.63 2fwu s VAL 525 CO 0.20 0.49 1.01 -0.76 0.00 0.00 0.00 175.10 176.04 2fwu s LEU 526 N 0.31 4.57 -0.10 3.92 2.01 -0.59 -3.21 118.68 125.59 2fwu s LEU 526 Ca -0.14 2.07 -0.13 0.00 0.01 0.00 0.00 54.13 55.95 2fwu s LEU 526 Cb -0.16 -3.67 -0.05 0.00 0.01 0.00 0.00 46.19 42.32 2fwu s LEU 526 CO 0.06 -0.01 0.30 -0.60 1.01 0.00 0.00 176.35 177.11 2fwu s ARG 527 N -1.41 3.97 0.50 1.70 3.00 -1.26 -3.96 118.95 121.49 2fwu s ARG 527 Ca 0.44 0.14 -0.21 0.00 -1.00 0.00 0.00 55.73 55.10 2fwu s ARG 527 Cb -0.28 -3.31 -0.09 0.00 0.00 0.00 0.00 34.95 31.27 2fwu s ARG 527 CO 0.35 0.50 0.77 -2.37 0.00 0.00 0.00 175.30 174.54 2fwu n THR 528 N 2.69 2.50 0.24 4.11 5.66 -0.87 -4.92 114.28 123.68 2fwu n THR 528 Ca -0.14 -0.50 -0.15 0.00 -3.05 0.00 0.00 64.05 60.21 2fwu n THR 528 Cb 0.53 -0.89 -0.08 0.00 -1.55 0.00 0.00 70.33 68.33 2fwu n THR 528 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2fwu h SER 529 N 0.82 -0.50 -2.28 1.09 0.87 -1.91 -3.36 113.55 108.28 2fwu h SER 529 Ca -0.45 -0.06 -0.63 0.00 -1.23 0.00 0.00 61.79 59.42 2fwu h SER 529 Cb 1.37 0.13 -0.14 0.00 -0.44 0.00 0.00 62.40 63.33 2fwu h SER 529 CO 0.52 -0.24 0.86 -0.83 -0.53 0.00 0.00 176.83 176.61 2fwu s GLY 530 N -2.38 1.44 -0.45 5.77 0.00 -1.26 -4.94 107.32 105.50 2fwu s GLY 530 Ca -0.15 -2.10 -0.04 0.00 0.00 0.00 0.00 44.72 42.42 2fwu s GLY 530 CO 0.58 2.24 0.26 0.00 0.00 0.00 0.00 173.10 176.18 2fwu s ALA 531 N 4.07 3.26 -0.07 3.20 0.00 -1.26 -4.51 121.76 126.46 2fwu s ALA 531 Ca 0.31 -2.62 0.04 0.00 0.00 0.00 0.00 51.96 49.68 2fwu s ALA 531 Cb -0.09 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.49 2fwu s ALA 531 CO 0.02 -1.86 -0.18 1.03 0.00 0.00 0.00 175.76 174.77 2fwu s ARG 532 N 1.05 2.15 3.36 0.00 1.81 -1.26 -4.40 118.95 121.66 2fwu s ARG 532 Ca 0.09 -0.63 0.00 0.00 -1.72 0.00 0.00 55.73 53.47 2fwu s ARG 532 Cb -0.23 -1.74 0.00 0.00 -0.45 0.00 0.00 34.95 32.53 2fwu s ARG 532 CO -0.03 0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.15 2fwu n GLY 533 N 3.49 0.02 2.70 -3.53 0.00 -1.25 -4.70 105.19 101.92 2fwu n GLY 533 Ca -0.20 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.57 2fwu n GLY 533 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2fwu s ASN 534 N -4.00 0.93 -0.06 1.61 3.04 -1.23 -0.37 114.94 114.85 2fwu s ASN 534 Ca 0.00 0.09 0.03 0.00 0.04 0.00 0.00 52.86 53.02 2fwu s ASN 534 Cb 0.00 -0.11 0.01 0.00 -1.54 0.00 0.00 41.25 39.61 2fwu s ASN 534 CO 0.00 -0.23 -0.15 -0.69 -3.04 0.00 0.00 177.10 172.99 2fwu s VAL 535 N 1.99 1.35 -0.15 -5.21 1.01 0.06 -0.78 120.40 118.66 2fwu s VAL 535 Ca 0.02 -0.62 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 2fwu s VAL 535 Cb -0.12 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2fwu s VAL 535 CO -0.03 0.40 0.35 -0.63 0.00 0.00 0.00 175.10 175.18 2fwu s ILE 536 N 0.42 5.27 -0.31 2.22 -1.09 0.31 -1.38 121.20 126.63 2fwu s ILE 536 Ca -0.12 0.66 -0.04 0.00 -2.23 0.00 0.00 60.65 58.92 2fwu s ILE 536 Cb -0.15 -3.69 0.04 0.00 -1.58 0.00 0.00 42.46 37.09 2fwu s ILE 536 CO 0.04 0.36 0.05 -0.69 -1.23 0.00 0.00 174.94 173.47 2fwu s VAL 537 N 0.58 3.41 0.62 2.92 1.01 0.41 -0.59 120.40 128.77 2fwu s VAL 537 Ca 0.19 -1.19 -0.15 0.00 0.00 0.00 0.00 61.98 60.83 2fwu s VAL 537 Cb -0.14 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 2fwu s VAL 537 CO 0.06 -0.10 1.06 -2.84 0.00 0.00 0.00 175.10 173.28 2fwu s PRO 538 N 1.34 3.17 0.06 2.72 0.02 -1.26 0.15 135.00 141.21 2fwu s PRO 538 Ca -0.03 1.16 -0.14 0.00 0.02 0.00 0.00 61.00 62.02 2fwu s PRO 538 Cb -0.19 -2.01 0.02 0.00 0.02 0.00 0.00 34.50 32.33 2fwu s PRO 538 CO 0.01 -0.92 0.31 1.52 -0.33 0.00 0.00 177.00 177.59 2fwu s TYR 539 N -2.58 -0.10 -0.05 6.54 -0.85 0.27 -0.24 117.35 120.34 2fwu s TYR 539 Ca 0.63 -0.09 -0.18 0.00 -0.52 0.00 0.00 57.07 56.90 2fwu s TYR 539 Cb -0.16 0.11 0.04 0.00 0.38 0.00 0.00 41.96 42.33 2fwu s TYR 539 CO 0.41 -0.55 0.42 -1.59 -1.52 0.00 0.00 175.55 172.73 2fwu s LYS 540 N -2.91 0.72 -0.22 -3.49 0.00 -0.19 -1.85 119.74 111.80 2fwu s LYS 540 Ca -0.02 0.08 -0.25 0.00 0.00 0.00 0.00 55.97 55.77 2fwu s LYS 540 Cb 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 37.83 38.16 2fwu s LYS 540 CO -0.06 -0.19 0.85 0.95 0.00 0.00 0.00 175.35 176.90 2fwu s THR 541 N -0.97 4.83 -0.25 3.79 -4.23 -1.12 -2.47 115.64 115.22 2fwu s THR 541 Ca -0.10 1.63 -0.21 0.00 -1.18 0.00 0.00 61.69 61.83 2fwu s THR 541 Cb -0.04 -4.14 -0.02 0.00 1.34 0.00 0.00 72.50 69.65 2fwu s THR 541 CO 0.05 -0.06 0.67 -0.63 -0.54 0.00 0.00 174.62 174.10 2fwu s ILE 542 N 2.70 4.96 0.28 2.99 1.09 0.14 -4.91 121.20 128.45 2fwu s ILE 542 Ca 0.37 1.20 0.02 0.00 -1.10 0.00 0.00 60.65 61.14 2fwu s ILE 542 Cb -0.16 -3.97 0.27 0.00 -1.06 0.00 0.00 42.46 37.55 2fwu s ILE 542 CO 0.08 0.00 1.79 -0.33 -0.10 0.00 0.00 174.94 176.38 2fwu h GLU 543 N 7.86 0.75 0.00 2.79 5.08 -1.90 0.02 114.58 129.18 2fwu h GLU 543 Ca -0.26 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2fwu h GLU 543 Cb 1.12 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.20 2fwu h GLU 543 CO 0.79 0.49 0.00 0.41 -1.00 0.00 0.00 179.01 179.70 2fwu n GLY 544 N -1.33 1.45 0.41 -3.84 0.00 -1.26 -1.40 105.19 99.22 2fwu n GLY 544 Ca 0.20 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.45 2fwu n GLY 544 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2fwu n THR 545 N 0.00 0.00 -3.90 2.61 5.66 -1.10 -5.02 114.28 112.53 2fwu n THR 545 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 2fwu n THR 545 Cb 0.00 0.41 -0.02 0.00 -1.55 0.00 0.00 70.33 69.17 2fwu n THR 545 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2fwu s ALA 546 N 0.00 3.93 1.22 1.79 0.00 -0.49 -4.76 121.76 123.45 2fwu s ALA 546 Ca 0.00 -1.31 -0.16 0.00 0.00 0.00 0.00 51.96 50.49 2fwu s ALA 546 Cb 0.00 -1.64 0.30 0.00 0.00 0.00 0.00 23.12 21.78 2fwu s ALA 546 CO 0.00 0.19 1.02 1.03 0.00 0.00 0.00 175.76 178.00 2fwu s ARG 547 N -3.99 -1.35 1.03 0.00 1.81 -1.26 -4.88 118.95 110.30 2fwu s ARG 547 Ca 0.36 0.45 -0.17 0.00 -1.72 0.00 0.00 55.73 54.65 2fwu s ARG 547 Cb -0.09 -1.53 0.25 0.00 -0.45 0.00 0.00 34.95 33.13 2fwu s ARG 547 CO 0.29 -3.91 0.98 0.41 -0.68 0.00 0.00 175.30 172.38 2fwu n GLY 548 N 0.41 -2.54 3.66 -3.53 0.00 -1.26 -4.02 105.19 97.91 2fwu n GLY 548 Ca 0.07 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 2fwu n GLY 548 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fwu n GLY 549 N -3.59 1.82 0.72 -0.02 0.00 -1.25 -0.97 105.19 101.90 2fwu n GLY 549 Ca 0.13 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.97 2fwu n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fwu n GLY 550 N 4.63 0.82 0.01 -0.02 0.00 0.12 -4.82 105.19 105.93 2fwu n GLY 550 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 2fwu n GLY 550 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fwu n GLU 551 N -2.00 0.08 -0.05 1.61 2.13 -0.14 -4.81 120.64 117.46 2fwu n GLU 551 Ca 0.00 0.07 -0.18 0.00 0.66 0.00 0.00 57.16 57.71 2fwu n GLU 551 Cb 0.00 -0.69 -0.13 0.00 0.27 0.00 0.00 31.44 30.89 2fwu n GLU 551 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2fwu n ASP 552 N -2.79 1.80 -3.90 4.31 8.00 -1.04 -4.49 116.55 118.44 2fwu n ASP 552 Ca -0.02 0.10 -0.10 0.00 0.71 0.00 0.00 54.79 55.48 2fwu n ASP 552 Cb 0.08 -0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 40.59 2fwu n ASP 552 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2fwu s PHE 553 N -2.54 0.15 -0.26 1.24 -0.71 -1.25 -1.25 117.98 113.37 2fwu s PHE 553 Ca -0.24 -0.45 -0.26 0.00 -1.04 0.00 0.00 56.93 54.94 2fwu s PHE 553 Cb 0.07 -0.10 0.00 0.00 -1.21 0.00 0.00 43.02 41.78 2fwu s PHE 553 CO 0.72 -0.41 0.90 -2.00 -1.34 0.00 0.00 175.22 173.09 2fwu s GLU 554 N -2.79 4.16 -0.55 1.99 -6.30 0.36 0.16 118.70 115.73 2fwu s GLU 554 Ca -0.03 1.00 -0.28 0.00 -2.50 0.00 0.00 54.97 53.16 2fwu s GLU 554 Cb -0.00 -3.66 0.00 0.00 0.00 0.00 0.00 34.13 30.47 2fwu s GLU 554 CO -0.05 -0.60 1.58 0.34 0.02 0.00 0.00 175.26 176.55 2fwu s ASP 555 N 1.38 5.87 -0.50 -1.70 2.15 -1.26 -4.55 116.67 118.05 2fwu s ASP 555 Ca 0.38 0.42 -0.13 0.00 0.43 0.00 0.00 52.55 53.65 2fwu s ASP 555 Cb -0.15 -2.54 0.12 0.00 -0.30 0.00 0.00 42.92 40.05 2fwu s ASP 555 CO 0.08 -1.89 0.41 0.28 -0.17 0.00 0.00 175.17 173.88 2fwu s THR 556 N 6.96 4.72 -0.48 1.71 -1.32 -1.26 -4.96 115.64 121.01 2fwu s THR 556 Ca 0.60 -1.58 0.01 0.00 -1.21 0.00 0.00 61.69 59.51 2fwu s THR 556 Cb -0.13 -4.03 0.13 0.00 -1.51 0.00 0.00 72.50 66.96 2fwu s THR 556 CO 0.25 -0.78 0.25 0.00 -2.21 0.00 0.00 174.62 172.13 2fwu n GLY 558 N 3.77 5.00 2.93 0.00 0.00 -0.77 -4.98 105.19 111.13 2fwu n GLY 558 Ca 0.04 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.66 2fwu n GLY 558 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fwu s GLU 559 N 1.25 0.08 0.03 1.61 2.02 -1.26 -0.57 118.70 121.85 2fwu s GLU 559 Ca 0.00 0.17 -0.07 0.00 0.02 0.00 0.00 54.97 55.09 2fwu s GLU 559 Cb 0.00 -0.03 -0.05 0.00 0.10 0.00 0.00 34.13 34.15 2fwu s GLU 559 CO 0.00 -0.06 0.30 -0.51 0.02 0.00 0.00 175.26 175.01 2fwu s LEU 560 N 0.36 4.36 -0.35 1.80 1.43 0.12 -4.90 118.68 121.51 2fwu s LEU 560 Ca -0.03 0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 53.56 2fwu s LEU 560 Cb -0.04 -2.76 0.00 0.00 0.03 0.00 0.00 46.19 43.43 2fwu s LEU 560 CO -0.01 0.23 0.21 -0.70 0.23 0.00 0.00 176.35 176.30 2fwu s GLU 561 N -1.83 3.17 -0.13 1.70 2.12 -1.26 -0.44 118.70 122.03 2fwu s GLU 561 Ca 0.29 -0.85 -0.03 0.00 0.36 0.00 0.00 54.97 54.74 2fwu s GLU 561 Cb -0.13 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.51 2fwu s GLU 561 CO 0.17 -0.55 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.24 2fwu s PHE 562 N 1.63 3.02 0.44 5.30 0.08 -0.48 -4.99 117.98 122.98 2fwu s PHE 562 Ca 0.04 -0.20 0.04 0.00 0.12 0.00 0.00 56.93 56.93 2fwu s PHE 562 Cb -0.18 -1.90 -0.05 0.00 -0.57 0.00 0.00 43.02 40.32 2fwu s PHE 562 CO 0.08 0.07 0.02 -0.65 -0.10 0.00 0.00 175.22 174.64 2fwu s GLN 563 N 0.05 2.02 0.24 0.44 -0.21 -1.25 -0.76 119.66 120.19 2fwu s GLN 563 Ca 0.00 -2.21 -0.04 0.00 0.02 0.00 0.00 55.36 53.13 2fwu s GLN 563 Cb -0.13 -1.40 0.27 0.00 1.00 0.00 0.00 33.01 32.75 2fwu s GLN 563 CO 0.03 -0.24 1.76 -2.95 -2.12 0.00 0.00 175.29 171.77 2fwu h ASN 564 N 1.64 0.87 0.20 5.90 -1.07 -0.92 -3.25 115.58 118.96 2fwu h ASN 564 Ca -0.43 -0.19 -0.34 0.00 0.07 0.00 0.00 56.30 55.41 2fwu h ASN 564 Cb 1.27 -0.23 -0.05 0.00 -2.07 0.00 0.00 38.32 37.24 2fwu h ASN 564 CO 0.74 0.89 -2.08 -0.67 0.07 0.00 0.00 177.43 176.38 2fwu n ASP 565 N -4.23 1.11 -4.72 6.14 2.03 -1.26 -4.82 116.55 110.79 2fwu n ASP 565 Ca 0.04 0.17 -0.42 0.00 0.52 0.00 0.00 54.79 55.10 2fwu n ASP 565 Cb 0.27 -0.03 -0.04 0.00 -0.72 0.00 0.00 41.12 40.61 2fwu n ASP 565 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2fwu s GLU 566 N -2.55 4.58 0.31 -0.67 2.12 -1.23 -5.04 118.70 116.22 2fwu s GLU 566 Ca -0.15 1.54 0.08 0.00 0.36 0.00 0.00 54.97 56.80 2fwu s GLU 566 Cb 0.07 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.04 2fwu s GLU 566 CO 0.78 0.00 0.15 0.96 -0.54 0.00 0.00 175.26 176.61 2fwu s ILE 567 N 0.55 3.43 0.13 -3.70 -4.36 -1.26 -3.82 121.20 112.17 2fwu s ILE 567 Ca 0.51 -1.63 0.00 0.00 -0.26 0.00 0.00 60.65 59.27 2fwu s ILE 567 Cb -0.25 -3.06 0.00 0.00 1.25 0.00 0.00 42.46 40.41 2fwu s ILE 567 CO 0.30 -0.24 0.00 0.55 0.24 0.00 0.00 174.94 175.78 2fwu n VAL 568 N -1.15 0.00 -3.62 8.37 3.14 -1.26 -5.04 118.33 118.77 2fwu n VAL 568 Ca -0.04 0.11 -0.10 0.00 -2.96 0.00 0.00 64.34 61.35 2fwu n VAL 568 Cb 0.60 -0.25 -0.02 0.00 -1.06 0.00 0.00 33.84 33.11 2fwu n VAL 568 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2fwu s LYS 569 N -2.75 1.45 -0.03 1.45 -0.14 -1.20 -4.96 119.74 113.57 2fwu s LYS 569 Ca 0.00 -0.71 0.01 0.00 -1.36 0.00 0.00 55.97 53.91 2fwu s LYS 569 Cb 0.00 0.58 0.01 0.00 -1.68 0.00 0.00 37.83 36.74 2fwu s LYS 569 CO 0.00 -0.64 -0.04 0.95 -0.76 0.00 0.00 175.35 174.86 2fwu s THR 570 N -3.83 0.45 -0.50 2.17 -4.23 -1.25 -1.62 115.64 106.82 2fwu s THR 570 Ca 0.06 -0.14 -0.20 0.00 -1.18 0.00 0.00 61.69 60.23 2fwu s THR 570 Cb -0.02 -0.44 0.05 0.00 1.34 0.00 0.00 72.50 73.42 2fwu s THR 570 CO -0.05 0.17 0.66 -0.63 -0.54 0.00 0.00 174.62 174.23 2fwu s ILE 571 N 0.49 4.82 -0.41 2.99 1.09 -0.71 -4.86 121.20 124.60 2fwu s ILE 571 Ca -0.06 -0.31 -0.23 0.00 -1.10 0.00 0.00 60.65 58.95 2fwu s ILE 571 Cb -0.09 -4.31 0.02 0.00 -1.06 0.00 0.00 42.46 37.02 2fwu s ILE 571 CO -0.00 -0.80 0.78 -0.94 -0.10 0.00 0.00 174.94 173.87 2fwu s SER 572 N 2.59 6.47 -0.11 3.58 1.04 -1.25 -2.90 113.70 123.11 2fwu s SER 572 Ca 0.18 0.09 0.01 0.00 0.48 0.00 0.00 55.95 56.71 2fwu s SER 572 Cb -0.18 -2.39 -0.01 0.00 0.10 0.00 0.00 66.02 63.54 2fwu s SER 572 CO 0.14 -0.83 -0.16 -0.69 0.98 0.00 0.00 173.24 172.68 2fwu s VAL 573 N 3.19 2.81 -0.40 5.02 1.01 -0.41 -4.93 120.40 126.69 2fwu s VAL 573 Ca 0.30 -0.76 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 2fwu s VAL 573 Cb -0.13 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.12 2fwu s VAL 573 CO 0.20 0.54 0.78 -0.75 0.00 0.00 0.00 175.10 175.87 2fwu s LYS 574 N 0.22 3.61 0.01 2.72 2.47 -1.26 -1.49 119.74 126.02 2fwu s LYS 574 Ca -0.10 0.13 -0.24 0.00 -1.56 0.00 0.00 55.97 54.20 2fwu s LYS 574 Cb -0.16 -3.86 -0.05 0.00 -1.46 0.00 0.00 37.83 32.30 2fwu s LYS 574 CO 0.06 -0.95 0.72 0.08 0.16 0.00 0.00 175.35 175.42 2fwu s VAL 575 N 3.16 4.84 0.28 4.02 1.01 -0.50 -0.49 120.40 132.72 2fwu s VAL 575 Ca 0.30 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.84 2fwu s VAL 575 Cb -0.13 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 2fwu s VAL 575 CO 0.19 0.35 0.43 -0.63 0.00 0.00 0.00 175.10 175.44 2fwu s ILE 576 N 0.11 5.20 -0.26 2.22 -1.09 -0.38 -4.68 121.20 122.33 2fwu s ILE 576 Ca 0.37 -0.78 -0.29 0.00 -2.23 0.00 0.00 60.65 57.72 2fwu s ILE 576 Cb -0.19 -3.86 -0.02 0.00 -1.58 0.00 0.00 42.46 36.81 2fwu s ILE 576 CO 0.21 -0.42 1.54 -1.81 -1.23 0.00 0.00 174.94 173.23 2fwu s ASP 577 N -3.99 6.41 0.43 3.58 1.11 -1.26 -4.76 116.67 118.18 2fwu s ASP 577 Ca 0.36 1.44 -0.25 0.00 0.18 0.00 0.00 52.55 54.28 2fwu s ASP 577 Cb -0.09 -2.53 -0.10 0.00 1.07 0.00 0.00 42.92 41.27 2fwu s ASP 577 CO 0.32 -1.26 1.27 -0.67 1.18 0.00 0.00 175.17 176.01 2fwu n ASP 578 N 8.42 2.54 0.00 0.27 2.03 -1.26 -4.89 116.55 123.66 2fwu n ASP 578 Ca 0.18 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.59 2fwu n ASP 578 Cb 0.46 -1.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.36 2fwu n ASP 578 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2fwu n GLU 579 N 0.01 2.77 -3.98 -0.67 0.00 -1.26 -5.10 120.64 112.40 2fwu n GLU 579 Ca 0.07 0.00 -0.25 0.00 0.00 0.00 0.00 57.16 56.97 2fwu n GLU 579 Cb 0.40 -0.88 -0.04 0.00 0.00 0.00 0.00 31.44 30.92 2fwu n GLU 579 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.13 175.30 2fwu s GLU 580 N -1.72 2.29 0.51 3.44 4.04 -1.26 -5.08 118.70 120.92 2fwu s GLU 580 Ca 0.00 -1.90 -0.20 0.00 0.04 0.00 0.00 54.97 52.91 2fwu s GLU 580 Cb 0.00 -2.06 -0.10 0.00 0.02 0.00 0.00 34.13 31.99 2fwu s GLU 580 CO 0.00 -0.35 0.59 2.48 -1.84 0.00 0.00 175.26 176.14 2fwu n TYR 581 N -1.51 -0.40 -3.98 4.83 4.11 -1.26 -4.95 117.16 114.01 2fwu n TYR 581 Ca -0.02 0.50 -0.31 0.00 -0.00 0.00 0.00 57.90 58.07 2fwu n TYR 581 Cb 0.64 -2.00 -0.15 0.00 -0.00 0.00 0.00 39.34 37.83 2fwu n TYR 581 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 2fwu s GLU 582 N -1.94 1.70 0.00 -3.48 2.12 -1.26 -5.04 118.70 110.80 2fwu s GLU 582 Ca 0.67 -1.34 0.00 0.00 0.36 0.00 0.00 54.97 54.65 2fwu s GLU 582 Cb -0.50 -2.79 0.00 0.00 0.26 0.00 0.00 34.13 31.10 2fwu s GLU 582 CO 0.56 -0.71 0.00 1.63 -0.54 0.00 0.00 175.26 176.19 2fwu n LYS 583 N 4.50 3.01 -2.68 4.30 4.76 -1.26 -4.97 118.16 125.82 2fwu n LYS 583 Ca -0.08 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 54.94 2fwu n LYS 583 Cb 0.43 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.59 2fwu n LYS 583 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2fwu s ASN 584 N -1.00 6.60 -0.13 4.39 2.47 -1.26 -4.96 114.94 121.05 2fwu s ASN 584 Ca 0.00 -1.80 -0.07 0.00 0.42 0.00 0.00 52.86 51.41 2fwu s ASN 584 Cb 0.00 -2.52 -0.04 0.00 -1.45 0.00 0.00 41.25 37.24 2fwu s ASN 584 CO 0.00 -1.31 0.12 -1.59 -3.72 0.00 0.00 177.10 170.60 2fwu s LYS 585 N 4.10 3.51 -0.02 0.43 0.00 -1.26 -4.98 119.74 121.52 2fwu s LYS 585 Ca 0.43 -0.18 -0.19 0.00 0.00 0.00 0.00 55.97 56.03 2fwu s LYS 585 Cb -0.01 -3.18 0.04 0.00 0.00 0.00 0.00 37.83 34.68 2fwu s LYS 585 CO -0.07 0.69 0.41 -0.08 0.00 0.00 0.00 175.35 176.30 2fwu s THR 586 N -0.79 0.04 0.12 3.79 -1.32 -1.26 -2.12 115.64 114.10 2fwu s THR 586 Ca 0.13 -0.35 0.09 0.00 -1.21 0.00 0.00 61.69 60.35 2fwu s THR 586 Cb -0.12 -0.73 -0.04 0.00 -1.51 0.00 0.00 72.50 70.11 2fwu s THR 586 CO 0.03 -0.19 -0.21 0.72 -2.21 0.00 0.00 174.62 172.75 2fwu s PHE 587 N -1.34 1.87 -0.02 9.09 -0.12 -1.05 -2.69 117.98 123.71 2fwu s PHE 587 Ca -0.13 -0.42 0.04 0.00 -0.05 0.00 0.00 56.93 56.37 2fwu s PHE 587 Cb -0.04 -1.00 -0.03 0.00 -0.63 0.00 0.00 43.02 41.32 2fwu s PHE 587 CO 0.05 0.26 -0.12 -0.06 -0.05 0.00 0.00 175.22 175.30 2fwu s PHE 588 N -1.35 2.74 -0.15 3.49 0.08 -0.01 -1.19 117.98 121.60 2fwu s PHE 588 Ca 0.10 -0.13 -0.04 0.00 0.12 0.00 0.00 56.93 56.98 2fwu s PHE 588 Cb -0.09 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.73 2fwu s PHE 588 CO 0.05 0.26 -0.01 -1.17 -0.10 0.00 0.00 175.22 174.25 2fwu s LEU 589 N -1.05 3.41 -0.01 -0.37 1.98 0.35 0.23 118.68 123.23 2fwu s LEU 589 Ca 0.14 -0.04 -0.02 0.00 -2.89 0.00 0.00 54.13 51.31 2fwu s LEU 589 Cb -0.11 -1.82 -0.00 0.00 0.66 0.00 0.00 46.19 44.92 2fwu s LEU 589 CO 0.03 0.21 0.05 -0.70 -1.89 0.00 0.00 176.35 174.05 2fwu s GLU 590 N 0.14 0.21 0.45 1.98 2.12 -1.03 -1.21 118.70 121.37 2fwu s GLU 590 Ca 0.00 -0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.19 2fwu s GLU 590 Cb -0.13 0.08 0.01 0.00 0.26 0.00 0.00 34.13 34.35 2fwu s GLU 590 CO 0.02 -0.04 0.64 0.96 -0.54 0.00 0.00 175.26 176.31 2fwu s ILE 591 N -0.61 3.28 0.00 -3.70 -4.36 -1.26 -1.02 121.20 113.54 2fwu s ILE 591 Ca -0.07 -0.78 0.00 0.00 -0.26 0.00 0.00 60.65 59.54 2fwu s ILE 591 Cb -0.04 -3.17 0.00 0.00 1.25 0.00 0.00 42.46 40.50 2fwu s ILE 591 CO 0.00 -0.10 0.00 0.61 0.24 0.00 0.00 174.94 175.69 2fwu n GLY 592 N -2.02 5.82 3.65 6.27 0.00 0.67 -4.88 105.19 114.69 2fwu n GLY 592 Ca 0.05 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 2fwu n GLY 592 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2fwu s GLU 593 N 1.77 4.13 0.30 1.61 2.12 -1.26 -4.70 118.70 122.67 2fwu s GLU 593 Ca 0.00 1.42 -0.29 0.00 0.36 0.00 0.00 54.97 56.46 2fwu s GLU 593 Cb 0.00 -3.77 -0.10 0.00 0.26 0.00 0.00 34.13 30.52 2fwu s GLU 593 CO 0.00 -0.83 1.34 -1.25 -0.54 0.00 0.00 175.26 173.99 2fwu s PRO 594 N 3.64 4.33 -0.20 4.30 0.04 -1.26 -4.51 135.00 141.33 2fwu s PRO 594 Ca 0.52 2.23 -0.01 0.00 0.04 0.00 0.00 61.00 63.77 2fwu s PRO 594 Cb -0.18 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.28 2fwu s PRO 594 CO 0.15 -0.26 -0.12 -0.98 0.04 0.00 0.00 177.00 175.84 2fwu s ARG 595 N -1.27 3.14 0.09 4.56 1.70 0.25 -4.86 118.95 122.55 2fwu s ARG 595 Ca 0.52 -0.76 -0.31 0.00 -0.47 0.00 0.00 55.73 54.72 2fwu s ARG 595 Cb -0.40 -2.80 -0.07 0.00 -0.57 0.00 0.00 34.95 31.11 2fwu s ARG 595 CO 0.49 -0.22 1.37 -1.17 -1.08 0.00 0.00 175.30 174.69 2fwu s LEU 596 N 1.37 4.36 -0.33 -1.89 1.98 -1.26 -0.53 118.68 122.38 2fwu s LEU 596 Ca 0.05 2.25 -0.00 0.00 -2.89 0.00 0.00 54.13 53.54 2fwu s LEU 596 Cb -0.14 -3.58 0.29 0.00 0.66 0.00 0.00 46.19 43.42 2fwu s LEU 596 CO -0.08 -0.65 1.85 0.52 -1.89 0.00 0.00 176.35 176.11 2fwu n VAL 597 N 4.09 2.68 0.00 1.68 0.31 0.04 -4.87 118.33 122.26 2fwu n VAL 597 Ca 0.12 -1.58 0.00 0.00 -0.01 0.00 0.00 64.34 62.87 2fwu n VAL 597 Cb 0.43 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 2fwu n VAL 597 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2fwu n GLU 598 N -0.02 0.00 -1.49 5.55 1.02 -1.26 -4.88 120.64 119.56 2fwu n GLU 598 Ca 0.34 0.00 -0.48 0.00 -0.02 0.00 0.00 57.16 57.00 2fwu n GLU 598 Cb 0.77 -0.25 -0.06 0.00 -0.02 0.00 0.00 31.44 31.88 2fwu n GLU 598 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2fwu n MET 599 N 0.00 1.30 0.00 3.49 1.56 -1.26 -4.43 117.12 117.77 2fwu n MET 599 Ca 0.00 0.34 0.00 0.00 -0.27 0.00 0.00 57.70 57.77 2fwu n MET 599 Cb 0.00 -2.69 0.00 0.00 2.15 0.00 0.00 33.22 32.68 2fwu n MET 599 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2fwu n SER 600 N 10.54 0.00 -4.19 6.12 2.88 -1.26 -3.56 113.62 124.16 2fwu n SER 600 Ca 0.38 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.63 2fwu n SER 600 Cb 0.29 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.59 2fwu n SER 600 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2fwu s GLU 601 N 0.00 2.57 -0.12 -1.46 -1.05 -1.26 -0.87 118.70 116.51 2fwu s GLU 601 Ca 0.00 -0.77 -0.20 0.00 -0.15 0.00 0.00 54.97 53.85 2fwu s GLU 601 Cb 0.00 -2.03 -0.04 0.00 -0.44 0.00 0.00 34.13 31.62 2fwu s GLU 601 CO 0.00 0.20 0.54 0.15 0.95 0.00 0.00 175.26 177.10 2fwu s LYS 602 N 0.26 4.34 0.00 -4.83 1.02 -0.64 -4.94 119.74 114.95 2fwu s LYS 602 Ca -0.13 0.56 0.07 0.00 0.02 0.00 0.00 55.97 56.48 2fwu s LYS 602 Cb -0.16 -3.46 0.41 0.00 -0.52 0.00 0.00 37.83 34.10 2fwu s LYS 602 CO 0.06 0.08 1.06 1.17 -0.92 0.00 0.00 175.35 176.81 2fwu n LYS 603 N 3.90 0.77 -0.49 1.68 3.00 -1.26 -3.02 118.16 122.73 2fwu n LYS 603 Ca -0.05 0.00 0.03 0.00 -0.00 0.00 0.00 58.31 58.29 2fwu n LYS 603 Cb 0.51 -1.14 0.21 0.00 0.00 0.00 0.00 35.03 34.62 2fwu n LYS 603 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2fwu n GLY 604 N 0.34 2.33 0.98 3.14 0.00 -1.26 -4.85 105.19 105.88 2fwu n GLY 604 Ca 0.05 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.57 2fwu n GLY 604 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fwu n GLY 605 N 0.31 0.86 3.64 -0.02 0.00 -1.18 -5.08 105.19 103.73 2fwu n GLY 605 Ca 0.16 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 2fwu n GLY 605 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2fwu s PHE 606 N -2.64 -1.12 -0.12 1.61 5.36 -1.17 -5.09 117.98 114.80 2fwu s PHE 606 Ca 0.00 2.14 -0.11 0.00 -0.96 0.00 0.00 56.93 58.00 2fwu s PHE 606 Cb 0.00 0.67 -0.05 0.00 -0.34 0.00 0.00 43.02 43.31 2fwu s PHE 606 CO 0.00 -0.56 0.24 0.95 -1.46 0.00 0.00 175.22 174.39 2fwu s THR 607 N 2.01 5.34 0.54 0.12 -4.23 -1.26 -1.61 115.64 116.54 2fwu s THR 607 Ca -0.09 0.43 -0.18 0.00 -1.18 0.00 0.00 61.69 60.68 2fwu s THR 607 Cb -0.07 -3.54 -0.06 0.00 1.34 0.00 0.00 72.50 70.17 2fwu s THR 607 CO -0.19 0.51 1.05 -0.63 -0.54 0.00 0.00 174.62 174.82 2fwu s ILE 608 N -0.35 3.80 -0.47 2.99 -1.09 -0.05 -4.97 121.20 121.06 2fwu s ILE 608 Ca 0.16 0.98 0.06 0.00 -2.23 0.00 0.00 60.65 59.63 2fwu s ILE 608 Cb -0.13 -3.42 0.21 0.00 -1.58 0.00 0.00 42.46 37.54 2fwu s ILE 608 CO 0.05 -0.37 0.68 1.07 -1.23 0.00 0.00 174.94 175.14 2fwu n THR 609 N -1.48 -0.33 -2.82 2.92 5.66 -1.26 -4.64 114.28 112.32 2fwu n THR 609 Ca 0.09 -2.06 -0.43 0.00 -3.05 0.00 0.00 64.05 58.59 2fwu n THR 609 Cb 0.53 0.23 -0.01 0.00 -1.55 0.00 0.00 70.33 69.52 2fwu n THR 609 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2fwu s GLU 610 N 0.35 3.87 -0.88 1.09 0.41 -1.26 -4.95 118.70 117.33 2fwu s GLU 610 Ca 0.32 -2.06 -0.20 0.00 -0.41 0.00 0.00 54.97 52.62 2fwu s GLU 610 Cb 0.11 -5.15 0.11 0.00 -1.78 0.00 0.00 34.13 27.42 2fwu s GLU 610 CO -0.15 -1.92 1.12 -1.83 -0.49 0.00 0.00 175.26 172.00 2fwu s GLU 611 N 2.81 3.49 -0.65 1.61 -1.05 -1.26 -4.59 118.70 119.06 2fwu s GLU 611 Ca 0.42 -1.49 0.03 0.00 -0.15 0.00 0.00 54.97 53.79 2fwu s GLU 611 Cb -0.02 -4.81 0.16 0.00 -0.44 0.00 0.00 34.13 29.02 2fwu s GLU 611 CO -0.02 -1.83 0.43 0.71 0.95 0.00 0.00 175.26 175.50 2fwu s TYR 612 N 3.23 3.45 -0.10 4.83 2.02 -1.26 -4.85 117.35 124.67 2fwu s TYR 612 Ca 0.32 -3.19 0.13 0.00 -0.37 0.00 0.00 57.07 53.96 2fwu s TYR 612 Cb -0.07 -2.86 0.25 0.00 -0.40 0.00 0.00 41.96 38.88 2fwu s TYR 612 CO -0.05 -0.67 1.12 -3.47 -1.57 0.00 0.00 175.55 170.91 2fwu n ASP 613 N 2.58 1.54 -0.79 2.29 2.03 -1.26 -4.58 116.55 118.36 2fwu n ASP 613 Ca 0.13 -2.85 0.12 0.00 0.52 0.00 0.00 54.79 52.71 2fwu n ASP 613 Cb 0.34 -0.38 0.30 0.00 -0.72 0.00 0.00 41.12 40.67 2fwu n ASP 613 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2fwu n ASP 614 N -0.86 2.40 -3.32 1.67 2.03 -1.26 -4.96 116.55 112.24 2fwu n ASP 614 Ca 0.12 -1.81 -0.13 0.00 0.52 0.00 0.00 54.79 53.48 2fwu n ASP 614 Cb 0.70 -0.11 0.01 0.00 -0.72 0.00 0.00 41.12 41.00 2fwu n ASP 614 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2fwu n LYS 615 N 0.82 -1.61 -3.69 -0.67 4.76 -1.26 -5.04 118.16 111.48 2fwu n LYS 615 Ca 0.17 1.34 -0.22 0.00 -2.87 0.00 0.00 58.31 56.73 2fwu n LYS 615 Cb 0.46 -4.22 -0.04 0.00 -1.84 0.00 0.00 35.03 29.40 2fwu n LYS 615 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2fwu s GLN 616 N -3.53 2.45 0.90 1.97 -1.52 -1.26 -5.05 119.66 113.62 2fwu s GLN 616 Ca 0.08 -1.64 -0.11 0.00 -1.95 0.00 0.00 55.36 51.74 2fwu s GLN 616 Cb -0.01 -2.28 0.13 0.00 -0.22 0.00 0.00 33.01 30.63 2fwu s GLN 616 CO 0.81 -0.23 1.10 -1.25 -0.25 0.00 0.00 175.29 175.47 2fwu s PRO 617 N -4.11 1.18 0.33 2.91 0.04 -1.26 -4.40 135.00 129.69 2fwu s PRO 617 Ca 0.46 1.14 -0.29 0.00 0.04 0.00 0.00 61.00 62.35 2fwu s PRO 617 Cb -0.02 -1.78 -0.11 0.00 0.04 0.00 0.00 34.50 32.63 2fwu s PRO 617 CO 0.26 -2.39 1.54 -0.51 0.04 0.00 0.00 177.00 175.95 2fwu s LEU 618 N -6.38 4.33 0.00 -3.56 2.01 -1.26 -4.86 118.68 108.96 2fwu s LEU 618 Ca 0.64 3.00 0.09 0.00 0.01 0.00 0.00 54.13 57.87 2fwu s LEU 618 Cb -0.20 -3.65 0.41 0.00 0.01 0.00 0.00 46.19 42.76 2fwu s LEU 618 CO 0.58 -0.90 1.28 0.35 1.01 0.00 0.00 176.35 178.67 2fwu n THR 619 N 1.39 1.28 -2.12 5.49 -2.24 -1.26 -4.56 114.28 112.25 2fwu n THR 619 Ca 0.05 0.32 -0.36 0.00 -2.27 0.00 0.00 64.05 61.79 2fwu n THR 619 Cb 0.38 -1.16 -0.04 0.00 -2.10 0.00 0.00 70.33 67.42 2fwu n THR 619 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2fwu n SER 620 N -1.47 3.72 -0.08 3.42 3.41 -1.26 -4.52 113.62 116.84 2fwu n SER 620 Ca 0.03 -2.78 -0.19 0.00 -0.26 0.00 0.00 58.87 55.66 2fwu n SER 620 Cb 0.10 -1.67 -0.12 0.00 -0.26 0.00 0.00 64.21 62.26 2fwu n SER 620 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2fwu h LYS 621 N 8.51 0.02 -6.06 4.33 3.64 -1.99 -3.46 116.57 121.56 2fwu h LYS 621 Ca 0.35 -0.04 -0.64 0.00 -1.27 0.00 0.00 60.65 59.05 2fwu h LYS 621 Cb 0.86 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.62 2fwu h LYS 621 CO 1.43 1.02 -0.57 -1.21 -2.27 0.00 0.00 179.45 177.85 2fwu s GLU 622 N -2.33 3.08 -0.11 1.90 8.01 -1.26 -5.00 118.70 122.99 2fwu s GLU 622 Ca -0.25 -0.56 0.08 0.00 0.01 0.00 0.00 54.97 54.25 2fwu s GLU 622 Cb 0.03 -2.85 -0.24 0.00 -4.31 0.00 0.00 34.13 26.76 2fwu s GLU 622 CO 0.64 0.60 0.39 -1.91 0.01 0.00 0.00 175.26 174.99 2fwu n GLU 623 N 0.65 0.68 0.13 1.61 2.13 -1.26 -3.71 120.64 120.87 2fwu n GLU 623 Ca -0.09 0.22 -0.05 0.00 0.66 0.00 0.00 57.16 57.89 2fwu n GLU 623 Cb 0.52 -1.69 -0.03 0.00 0.27 0.00 0.00 31.44 30.51 2fwu n GLU 623 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2fwu h GLU 624 N 0.02 -0.33 0.06 5.31 5.08 -2.02 -3.27 114.58 119.43 2fwu h GLU 624 Ca -0.40 0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 57.68 2fwu h GLU 624 Cb 2.05 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 31.35 2fwu h GLU 624 CO 0.06 -0.22 -1.63 0.93 -1.00 0.00 0.00 179.01 177.14 2fwu h GLU 625 N -0.35 0.13 -0.44 2.33 4.39 -2.00 -3.39 114.58 115.25 2fwu h GLU 625 Ca -0.03 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.35 2fwu h GLU 625 Cb 0.27 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 2fwu h GLU 625 CO 0.05 0.87 -0.12 -0.09 -1.16 0.00 0.00 179.01 178.56 2fwu h ARG 626 N 0.03 0.80 -0.38 2.33 9.65 -1.71 -2.67 114.38 122.44 2fwu h ARG 626 Ca -0.27 -0.27 0.11 0.00 -1.10 0.00 0.00 59.98 58.45 2fwu h ARG 626 Cb 1.99 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 30.49 2fwu h ARG 626 CO 0.11 0.88 0.30 0.00 2.80 0.00 0.00 179.97 184.07 2fwu h ARG 627 N 0.72 0.00 -0.50 0.20 3.08 -1.74 0.11 114.38 116.25 2fwu h ARG 627 Ca 0.12 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 2fwu h ARG 627 Cb 0.61 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2fwu h ARG 627 CO 0.04 0.00 0.06 0.82 -1.07 0.00 0.00 179.97 179.82 2fwu h ILE 628 N 0.00 1.23 0.01 2.04 2.04 -1.70 -1.07 117.51 120.06 2fwu h ILE 628 Ca 0.18 -0.92 -0.27 0.00 1.00 0.00 0.00 64.86 64.85 2fwu h ILE 628 Cb 0.78 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 2fwu h ILE 628 CO -0.00 0.33 -1.45 0.00 0.00 0.00 0.00 178.15 177.03 2fwu h ALA 629 N 1.30 0.59 -0.00 1.87 0.00 -1.00 -3.32 119.26 118.69 2fwu h ALA 629 Ca 0.16 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.82 2fwu h ALA 629 Cb 0.38 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2fwu h ALA 629 CO 0.01 1.44 0.00 0.39 0.00 0.00 0.00 179.25 181.09 2fwu n GLU 630 N -3.19 1.03 0.02 0.00 1.02 -0.01 -1.45 120.64 118.06 2fwu n GLU 630 Ca -0.11 -0.05 -0.09 0.00 -0.02 0.00 0.00 57.16 56.89 2fwu n GLU 630 Cb 1.01 -1.38 -0.13 0.00 -0.02 0.00 0.00 31.44 30.92 2fwu n GLU 630 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2fwu h MET 631 N 0.10 0.03 0.09 3.49 -0.00 -1.30 -3.38 114.93 113.96 2fwu h MET 631 Ca 0.00 -0.05 -0.37 0.00 -0.00 0.00 0.00 59.70 59.28 2fwu h MET 631 Cb 0.02 0.02 -0.03 0.00 -0.00 0.00 0.00 31.60 31.61 2fwu h MET 631 CO 0.00 0.77 -2.07 0.41 -0.00 0.00 0.00 176.91 176.02 2fwu n GLY 632 N 1.49 -0.53 3.80 -3.00 0.00 -1.11 -4.48 105.19 101.37 2fwu n GLY 632 Ca -0.10 -0.24 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 2fwu n GLY 632 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2fwu s ARG 633 N -2.54 4.24 0.58 1.61 0.52 -0.53 -5.05 118.95 117.79 2fwu s ARG 633 Ca -0.26 0.75 -0.16 0.00 -0.52 0.00 0.00 55.73 55.54 2fwu s ARG 633 Cb 0.07 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.24 2fwu s ARG 633 CO 0.72 0.57 1.06 -1.25 0.02 0.00 0.00 175.30 176.42 2fwu s PRO 634 N -0.90 3.37 0.00 3.54 0.04 -1.26 -4.45 135.00 135.35 2fwu s PRO 634 Ca 0.30 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.56 2fwu s PRO 634 Cb -0.19 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2fwu s PRO 634 CO 0.19 -0.77 0.00 0.44 0.04 0.00 0.00 177.00 176.90 2fwu n ILE 635 N -1.91 0.00 -2.19 0.56 -6.64 -1.26 -4.72 119.36 103.19 2fwu n ILE 635 Ca 0.09 0.00 -0.28 0.00 -1.77 0.00 0.00 62.75 60.79 2fwu n ILE 635 Cb 0.53 0.00 0.03 0.00 -1.44 0.00 0.00 39.64 38.76 2fwu n ILE 635 CO 0.00 0.00 0.00 -1.48 -1.77 0.00 0.00 176.55 173.30 2fwu s LEU 636 N 0.00 3.13 0.00 7.28 -0.00 -1.26 -4.52 118.68 123.31 2fwu s LEU 636 Ca 0.00 0.93 0.00 0.00 -0.00 0.00 0.00 54.13 55.06 2fwu s LEU 636 Cb 0.00 -3.76 0.00 0.00 -0.00 0.00 0.00 46.19 42.43 2fwu s LEU 636 CO 0.00 -1.13 0.00 0.61 -0.00 0.00 0.00 176.35 175.83 2fwu n GLY 637 N -2.73 1.71 2.02 -3.48 0.00 -0.07 -4.54 105.19 98.10 2fwu n GLY 637 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2fwu n GLY 637 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fwu n GLU 638 N -0.26 0.00 -3.92 1.61 2.13 -1.26 -4.81 120.64 114.13 2fwu n GLU 638 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 2fwu n GLU 638 Cb 0.00 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.55 2fwu n GLU 638 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2fwu s HIS 639 N -1.64 1.92 -0.60 4.31 -3.43 -1.26 -5.05 115.29 109.53 2fwu s HIS 639 Ca 0.00 -1.25 -0.04 0.00 -0.80 0.00 0.00 55.06 52.97 2fwu s HIS 639 Cb 0.00 -1.41 0.16 0.00 -1.43 0.00 0.00 32.58 29.89 2fwu s HIS 639 CO 0.00 -0.66 0.43 -0.08 -2.00 0.00 0.00 174.74 172.43 2fwu s THR 640 N 1.56 3.81 -0.29 -5.38 -1.32 -1.26 -3.02 115.64 109.74 2fwu s THR 640 Ca -0.00 -2.74 -0.16 0.00 -1.21 0.00 0.00 61.69 57.58 2fwu s THR 640 Cb -0.16 -3.49 0.16 0.00 -1.51 0.00 0.00 72.50 67.50 2fwu s THR 640 CO -0.08 -0.86 0.99 -0.75 -2.21 0.00 0.00 174.62 171.71 2fwu s LYS 641 N 0.19 0.33 -0.21 7.08 2.36 -1.25 -4.70 119.74 123.53 2fwu s LYS 641 Ca 0.15 0.68 -0.01 0.00 -2.55 0.00 0.00 55.97 54.24 2fwu s LYS 641 Cb -0.20 0.24 0.06 0.00 -1.05 0.00 0.00 37.83 36.88 2fwu s LYS 641 CO -0.04 -0.09 -0.01 -1.17 1.55 0.00 0.00 175.35 175.60 2fwu s LEU 642 N 1.84 1.82 -0.49 5.43 2.96 -0.35 -4.32 118.68 125.57 2fwu s LEU 642 Ca -0.06 -0.98 -0.20 0.00 -0.22 0.00 0.00 54.13 52.66 2fwu s LEU 642 Cb -0.05 -0.87 0.04 0.00 0.50 0.00 0.00 46.19 45.82 2fwu s LEU 642 CO -0.16 -0.27 0.67 -0.70 -1.32 0.00 0.00 176.35 174.57 2fwu s GLU 643 N 1.64 3.21 -0.50 1.98 2.12 0.11 -0.49 118.70 126.77 2fwu s GLU 643 Ca -0.03 -0.62 -0.17 0.00 0.36 0.00 0.00 54.97 54.51 2fwu s GLU 643 Cb -0.18 -4.04 0.07 0.00 0.26 0.00 0.00 34.13 30.25 2fwu s GLU 643 CO -0.07 -1.18 0.50 0.08 -0.54 0.00 0.00 175.26 174.05 2fwu s VAL 644 N 2.87 5.09 -0.10 3.70 1.01 -0.33 -0.61 120.40 132.04 2fwu s VAL 644 Ca 0.20 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 61.04 2fwu s VAL 644 Cb -0.16 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2fwu s VAL 644 CO 0.15 -0.71 0.71 -0.63 0.00 0.00 0.00 175.10 174.62 2fwu s ILE 645 N 2.04 5.02 -0.36 2.22 1.09 -0.38 -2.54 121.20 128.28 2fwu s ILE 645 Ca 0.08 1.43 -0.05 0.00 -1.10 0.00 0.00 60.65 61.01 2fwu s ILE 645 Cb -0.23 -4.04 0.06 0.00 -1.06 0.00 0.00 42.46 37.20 2fwu s ILE 645 CO 0.08 0.20 0.13 -0.63 -0.10 0.00 0.00 174.94 174.63 2fwu s ILE 646 N 1.14 3.60 0.00 2.92 1.09 -0.90 -2.04 121.20 127.01 2fwu s ILE 646 Ca 0.36 -1.42 0.00 0.00 -1.10 0.00 0.00 60.65 58.49 2fwu s ILE 646 Cb -0.17 -3.16 0.00 0.00 -1.06 0.00 0.00 42.46 38.06 2fwu s ILE 646 CO 0.16 -0.33 0.00 -1.84 -0.10 0.00 0.00 174.94 172.83 2fwu n GLU 647 N 4.75 3.18 -0.68 2.79 0.28 -1.23 -4.53 120.64 125.20 2fwu n GLU 647 Ca -0.10 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.81 2fwu n GLU 647 Cb 0.43 0.00 0.06 0.00 1.43 0.00 0.00 31.44 33.37 2fwu n GLU 647 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2fwu n GLU 648 N -0.08 -0.32 -2.57 3.44 -0.58 -1.26 -2.94 120.64 116.34 2fwu n GLU 648 Ca 0.00 -0.68 -0.43 0.00 -0.42 0.00 0.00 57.16 55.64 2fwu n GLU 648 Cb 0.00 -0.41 -0.00 0.00 -0.57 0.00 0.00 31.44 30.46 2fwu n GLU 648 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2fwu s SER 649 N -2.51 6.78 0.27 1.62 0.15 -1.26 -3.43 113.70 115.32 2fwu s SER 649 Ca 0.24 -2.39 0.00 0.00 0.70 0.00 0.00 55.95 54.49 2fwu s SER 649 Cb -0.01 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 2fwu s SER 649 CO 0.16 -1.23 0.00 0.00 1.20 0.00 0.00 173.24 173.38 2fwu n TYR 650 N 8.56 -2.54 -1.13 3.44 9.36 -1.26 -5.02 117.16 128.57 2fwu n TYR 650 Ca 0.48 0.56 0.00 0.00 3.32 0.00 0.00 57.90 62.26 2fwu n TYR 650 Cb 0.46 1.10 0.00 0.00 -0.63 0.00 0.00 39.34 40.27 2fwu n TYR 650 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2fwu n GLU 651 N -3.30 -2.38 -4.48 2.98 1.02 -1.25 -5.06 120.64 108.16 2fwu n GLU 651 Ca 0.00 1.94 -0.24 0.00 -0.02 0.00 0.00 57.16 58.85 2fwu n GLU 651 Cb 0.00 -1.81 -0.10 0.00 -0.02 0.00 0.00 31.44 29.50 2fwu n GLU 651 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2fwu s PHE 652 N -0.35 2.18 -0.38 -0.32 5.36 -1.26 -5.11 117.98 118.10 2fwu s PHE 652 Ca 0.00 -0.59 0.02 0.00 -0.96 0.00 0.00 56.93 55.40 2fwu s PHE 652 Cb 0.00 -1.23 0.11 0.00 -0.34 0.00 0.00 43.02 41.55 2fwu s PHE 652 CO 0.00 0.44 0.12 0.15 -1.46 0.00 0.00 175.22 174.47 2fwu s LYS 653 N -3.66 1.68 -0.47 10.12 -0.14 -1.26 -4.75 119.74 121.26 2fwu s LYS 653 Ca 0.31 -1.95 0.04 0.00 -1.36 0.00 0.00 55.97 53.02 2fwu s LYS 653 Cb 0.03 -3.33 0.18 0.00 -1.68 0.00 0.00 37.83 33.02 2fwu s LYS 653 CO 0.14 -0.99 0.39 0.45 -0.76 0.00 0.00 175.35 174.58 2fwu n SER 654 N 4.22 0.32 -4.37 2.83 2.88 -1.26 -5.07 113.62 113.17 2fwu n SER 654 Ca 0.03 -2.58 -0.45 0.00 -1.33 0.00 0.00 58.87 54.54 2fwu n SER 654 Cb 0.41 -0.60 -0.05 0.00 -0.75 0.00 0.00 64.21 63.22 2fwu n SER 654 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2fwu s THR 655 N -0.36 4.91 0.50 2.46 2.01 -1.26 -4.94 115.64 118.96 2fwu s THR 655 Ca 0.32 -1.02 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 2fwu s THR 655 Cb 0.03 -4.42 0.00 0.00 0.01 0.00 0.00 72.50 68.12 2fwu s THR 655 CO -0.19 -1.02 0.74 0.68 -0.69 0.00 0.00 174.62 174.15 2fwu s VAL 656 N 2.44 3.85 -0.90 3.82 -7.23 -1.26 -5.02 120.40 116.10 2fwu s VAL 656 Ca 0.10 -0.35 0.07 0.00 -1.81 0.00 0.00 61.98 59.99 2fwu s VAL 656 Cb -0.25 -3.45 0.06 0.00 0.56 0.00 0.00 36.38 33.30 2fwu s VAL 656 CO 0.06 -0.36 0.73 0.47 -0.31 0.00 0.00 175.10 175.69