#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 1.87 -3.64 1.57 0.00 -0.66 -4.61 120.51 115.04 2fwu n ALA 502 Ca 0.00 -0.27 -0.07 0.00 0.00 0.00 0.00 53.44 53.10 2fwu n ALA 502 Cb 0.00 0.35 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 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 -4.63 0.00 -0.27 0.00 0.00 -1.26 -4.70 107.32 96.46 2fwu s GLY 503 Ca -0.09 2.94 -0.01 0.00 0.00 0.00 0.00 44.72 47.57 2fwu s GLY 503 CO 0.15 1.89 -0.06 -0.42 0.00 0.00 0.00 173.10 174.66 2fwu s ILE 504 N 0.20 2.72 -0.14 0.90 1.09 -1.26 -1.00 121.20 123.72 2fwu s ILE 504 Ca 0.04 -1.29 0.02 0.00 -1.10 0.00 0.00 60.65 58.33 2fwu s ILE 504 Cb -0.05 -2.48 0.01 0.00 -1.06 0.00 0.00 42.46 38.87 2fwu s ILE 504 CO -0.09 0.05 -0.22 -0.36 -0.10 0.00 0.00 174.94 174.23 2fwu s PHE 505 N 1.25 2.67 0.25 3.97 0.08 -1.12 -2.60 117.98 122.48 2fwu s PHE 505 Ca -0.04 -1.29 -0.17 0.00 0.12 0.00 0.00 56.93 55.56 2fwu s PHE 505 Cb -0.18 -1.81 0.01 0.00 -0.57 0.00 0.00 43.02 40.47 2fwu s PHE 505 CO -0.04 -0.58 0.58 -0.08 -0.10 0.00 0.00 175.22 175.00 2fwu s THR 506 N 0.76 0.00 0.28 0.64 -1.32 -1.25 -0.22 115.64 114.54 2fwu s THR 506 Ca -0.08 -1.18 0.04 0.00 -1.21 0.00 0.00 61.69 59.26 2fwu s THR 506 Cb -0.16 -2.06 -0.03 0.00 -1.51 0.00 0.00 72.50 68.75 2fwu s THR 506 CO -0.01 -0.01 0.42 -0.36 -2.21 0.00 0.00 174.62 172.45 2fwu s PHE 507 N -3.96 3.39 -0.16 9.09 0.08 -1.23 -1.44 117.98 123.74 2fwu s PHE 507 Ca 0.17 0.01 0.18 0.00 0.12 0.00 0.00 56.93 57.41 2fwu s PHE 507 Cb -0.03 -1.73 -0.26 0.00 -0.57 0.00 0.00 43.02 40.43 2fwu s PHE 507 CO 0.07 0.27 0.20 -0.85 -0.10 0.00 0.00 175.22 174.82 2fwu n GLU 508 N -1.54 0.68 -3.96 0.44 0.28 -1.26 -4.81 120.64 110.47 2fwu n GLU 508 Ca -0.06 -0.02 -0.34 0.00 -0.16 0.00 0.00 57.16 56.57 2fwu n GLU 508 Cb 0.57 -1.54 -0.14 0.00 1.43 0.00 0.00 31.44 31.75 2fwu n GLU 508 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2fwu s GLU 509 N -2.71 3.20 0.00 3.44 -1.05 -1.26 -4.97 118.70 115.35 2fwu s GLU 509 Ca -0.09 -0.73 0.29 0.00 -0.15 0.00 0.00 54.97 54.29 2fwu s GLU 509 Cb 0.08 -2.91 1.35 0.00 -0.44 0.00 0.00 34.13 32.21 2fwu s GLU 509 CO 0.84 -0.24 1.93 -0.35 0.95 0.00 0.00 175.26 178.40 2fwu n PRO 510 N 4.74 0.70 -3.79 -4.83 -0.04 -1.26 -4.76 135.00 125.76 2fwu n PRO 510 Ca -0.19 -0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 62.96 2fwu n PRO 510 Cb 0.50 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.43 -0.03 0.03 0.52 1.01 -1.26 0.37 120.40 118.62 2fwu s VAL 511 Ca 0.31 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2fwu s VAL 511 Cb 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.36 2fwu s VAL 511 CO 0.46 0.04 -0.04 0.28 0.00 0.00 0.00 175.10 175.84 2fwu s THR 512 N 0.63 0.18 -0.22 3.92 -1.32 0.03 -4.87 115.64 113.99 2fwu s THR 512 Ca -0.05 -1.06 -0.00 0.00 -1.21 0.00 0.00 61.69 59.37 2fwu s THR 512 Cb -0.06 -0.49 0.02 0.00 -1.51 0.00 0.00 72.50 70.46 2fwu s THR 512 CO -0.03 -0.56 -0.12 -1.00 -2.21 0.00 0.00 174.62 170.70 2fwu s HIS 513 N -1.81 2.97 0.15 9.09 3.76 -1.26 -0.59 115.29 127.60 2fwu s HIS 513 Ca -0.12 -1.63 0.07 0.00 -0.15 0.00 0.00 55.06 53.24 2fwu s HIS 513 Cb -0.07 -1.99 -0.04 0.00 1.11 0.00 0.00 32.58 31.58 2fwu s HIS 513 CO -0.02 -0.76 -0.04 0.14 -0.85 0.00 0.00 174.74 173.21 2fwu s VAL 514 N 1.30 3.60 0.34 -0.90 -7.23 -0.54 -4.62 120.40 112.35 2fwu s VAL 514 Ca 0.01 -1.38 -0.26 0.00 -1.81 0.00 0.00 61.98 58.54 2fwu s VAL 514 Cb -0.15 -2.77 -0.09 0.00 0.56 0.00 0.00 36.38 33.92 2fwu s VAL 514 CO -0.08 -0.04 1.03 -0.55 -0.31 0.00 0.00 175.10 175.15 2fwu s SER 515 N -2.70 7.08 0.01 4.85 0.15 -1.26 -1.34 113.70 120.49 2fwu s SER 515 Ca 0.26 2.03 0.13 0.00 0.70 0.00 0.00 55.95 59.07 2fwu s SER 515 Cb -0.10 -2.59 0.56 0.00 -1.71 0.00 0.00 66.02 62.18 2fwu s SER 515 CO 0.17 -0.26 1.42 1.21 1.20 0.00 0.00 173.24 176.98 2fwu n GLU 516 N 0.47 0.01 -0.35 5.44 2.13 -0.48 -2.16 120.64 125.69 2fwu n GLU 516 Ca 0.02 0.29 0.07 0.00 0.66 0.00 0.00 57.16 58.21 2fwu n GLU 516 Cb 0.48 -1.52 0.20 0.00 0.27 0.00 0.00 31.44 30.88 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 -1.54 2.94 -4.88 4.31 2.88 -1.26 -3.56 113.62 112.52 2fwu n SER 517 Ca 0.03 -3.21 -0.31 0.00 -1.33 0.00 0.00 58.87 54.05 2fwu n SER 517 Cb 0.15 -0.51 -0.05 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 -2.93 4.91 -0.10 2.46 2.07 -0.92 -5.02 121.20 121.67 2fwu s ILE 518 Ca 0.38 0.46 -0.09 0.00 -1.41 0.00 0.00 60.65 59.99 2fwu s ILE 518 Cb 0.33 -3.64 -0.03 0.00 0.13 0.00 0.00 42.46 39.25 2fwu s ILE 518 CO 0.04 -0.15 -0.17 0.61 -1.91 0.00 0.00 174.94 173.36 2fwu n GLY 519 N -0.35 -0.62 3.13 1.50 0.00 -1.26 -4.40 105.19 103.19 2fwu n GLY 519 Ca 0.01 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.01 2.23 -0.20 -0.61 -1.09 -1.26 -0.98 121.20 117.29 2fwu s ILE 520 Ca -0.14 -1.02 -0.10 0.00 -2.23 0.00 0.00 60.65 57.16 2fwu s ILE 520 Cb 0.02 -2.02 -0.05 0.00 -1.58 0.00 0.00 42.46 38.83 2fwu s ILE 520 CO 0.21 0.42 0.14 0.00 -1.23 0.00 0.00 174.94 174.48 2fwu s MET 521 N 1.28 4.18 -0.11 2.79 0.23 -0.79 -4.91 119.30 121.96 2fwu s MET 521 Ca 0.03 -0.22 0.02 0.00 -1.03 0.00 0.00 55.69 54.49 2fwu s MET 521 Cb -0.14 -3.43 -0.01 0.00 -1.53 0.00 0.00 34.83 29.72 2fwu s MET 521 CO -0.10 0.27 -0.19 -1.21 -2.03 0.00 0.00 175.02 171.76 2fwu s GLU 522 N 0.44 3.18 -0.13 3.16 2.02 -1.25 -1.32 118.70 124.80 2fwu s GLU 522 Ca 0.08 -0.80 -0.01 0.00 0.02 0.00 0.00 54.97 54.27 2fwu s GLU 522 Cb -0.11 -2.44 -0.02 0.00 0.10 0.00 0.00 34.13 31.66 2fwu s GLU 522 CO -0.01 0.20 -0.12 0.08 0.02 0.00 0.00 175.26 175.43 2fwu s VAL 523 N 0.32 3.15 -0.02 2.63 1.01 -1.03 -4.89 120.40 121.57 2fwu s VAL 523 Ca -0.15 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 60.90 2fwu s VAL 523 Cb -0.17 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 2fwu s VAL 523 CO 0.07 0.52 1.18 -0.54 0.00 0.00 0.00 175.10 176.34 2fwu s LYS 524 N 0.34 4.39 -0.09 2.72 -0.14 -1.26 -2.38 119.74 123.32 2fwu s LYS 524 Ca -0.10 1.68 -0.03 0.00 -1.36 0.00 0.00 55.97 56.16 2fwu s LYS 524 Cb -0.16 -3.50 -0.03 0.00 -1.68 0.00 0.00 37.83 32.46 2fwu s LYS 524 CO 0.05 -0.37 0.04 0.08 -0.76 0.00 0.00 175.35 174.39 2fwu s VAL 525 N 1.83 4.62 0.04 3.17 1.01 0.32 -4.37 120.40 127.02 2fwu s VAL 525 Ca 0.56 -0.15 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 2fwu s VAL 525 Cb -0.26 -2.97 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 2fwu s VAL 525 CO 0.24 0.60 0.53 -0.76 0.00 0.00 0.00 175.10 175.71 2fwu s LEU 526 N -0.96 4.50 0.64 3.92 2.01 -0.52 -2.77 118.68 125.51 2fwu s LEU 526 Ca 0.14 1.17 -0.12 0.00 0.01 0.00 0.00 54.13 55.33 2fwu s LEU 526 Cb -0.12 -2.82 -0.02 0.00 0.01 0.00 0.00 46.19 43.25 2fwu s LEU 526 CO 0.03 0.27 1.05 -0.60 1.01 0.00 0.00 176.35 178.11 2fwu s ARG 527 N -0.99 3.23 0.91 1.70 3.52 -1.26 -3.82 118.95 122.24 2fwu s ARG 527 Ca 0.28 0.96 -0.10 0.00 -0.13 0.00 0.00 55.73 56.74 2fwu s ARG 527 Cb -0.19 -2.03 0.14 0.00 -1.56 0.00 0.00 34.95 31.32 2fwu s ARG 527 CO 0.17 -0.87 1.13 -0.08 -0.81 0.00 0.00 175.30 174.85 2fwu s THR 528 N -2.92 2.23 -0.04 4.11 -1.32 -1.07 -4.83 115.64 111.80 2fwu s THR 528 Ca 0.59 0.08 0.13 0.00 -1.21 0.00 0.00 61.69 61.28 2fwu s THR 528 Cb -0.13 -2.17 0.00 0.00 -1.51 0.00 0.00 72.50 68.69 2fwu s THR 528 CO 0.49 -0.10 1.45 -1.28 -2.21 0.00 0.00 174.62 172.97 2fwu h SER 529 N -1.83 0.00 -3.72 8.08 0.87 -1.92 -3.41 113.55 111.62 2fwu h SER 529 Ca -0.45 0.00 -0.66 0.00 -1.23 0.00 0.00 61.79 59.46 2fwu h SER 529 Cb 1.27 0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 62.84 2fwu h SER 529 CO 0.44 0.61 -0.76 -0.83 -0.53 0.00 0.00 176.83 175.76 2fwu s GLY 530 N -4.51 1.73 -0.58 5.77 0.00 -1.26 -5.07 107.32 103.41 2fwu s GLY 530 Ca 0.03 -2.11 -0.15 0.00 0.00 0.00 0.00 44.72 42.49 2fwu s GLY 530 CO 0.76 0.86 0.52 0.00 0.00 0.00 0.00 173.10 175.23 2fwu s ALA 531 N 1.05 3.69 -0.11 3.20 0.00 -1.26 -4.65 121.76 123.68 2fwu s ALA 531 Ca 0.02 -2.66 -0.01 0.00 0.00 0.00 0.00 51.96 49.32 2fwu s ALA 531 Cb -0.19 -3.26 0.03 0.00 0.00 0.00 0.00 23.12 19.70 2fwu s ALA 531 CO -0.08 -2.05 -0.06 1.03 0.00 0.00 0.00 175.76 174.61 2fwu s ARG 532 N 1.35 1.32 0.14 0.00 1.81 -1.26 -4.45 118.95 117.87 2fwu s ARG 532 Ca 0.06 -0.18 0.00 0.00 -1.72 0.00 0.00 55.73 53.88 2fwu s ARG 532 Cb -0.27 -1.47 0.00 0.00 -0.45 0.00 0.00 34.95 32.77 2fwu s ARG 532 CO 0.01 -0.28 0.00 0.41 -0.68 0.00 0.00 175.30 174.76 2fwu n GLY 533 N 4.99 -2.76 3.74 -3.53 0.00 -1.26 -4.77 105.19 101.59 2fwu n GLY 533 Ca -0.11 -1.71 -0.35 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.91 6.27 -0.06 1.61 3.04 -1.26 -1.06 114.94 121.57 2fwu s ASN 534 Ca 0.00 0.31 0.03 0.00 0.04 0.00 0.00 52.86 53.24 2fwu s ASN 534 Cb 0.00 -2.11 0.01 0.00 -1.54 0.00 0.00 41.25 37.61 2fwu s ASN 534 CO 0.00 0.17 -0.14 -0.69 -3.04 0.00 0.00 177.10 173.40 2fwu s VAL 535 N 0.31 1.26 -0.19 -5.21 1.01 0.13 0.51 120.40 118.22 2fwu s VAL 535 Ca 0.10 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 2fwu s VAL 535 Cb -0.12 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 2fwu s VAL 535 CO -0.00 0.38 0.20 -0.63 0.00 0.00 0.00 175.10 175.04 2fwu s ILE 536 N 0.48 5.36 -0.34 2.22 -1.09 0.23 -0.26 121.20 127.80 2fwu s ILE 536 Ca -0.12 0.34 0.02 0.00 -2.23 0.00 0.00 60.65 58.66 2fwu s ILE 536 Cb -0.15 -3.54 0.10 0.00 -1.58 0.00 0.00 42.46 37.29 2fwu s ILE 536 CO 0.04 0.41 0.06 -0.69 -1.23 0.00 0.00 174.94 173.53 2fwu s VAL 537 N 0.45 2.48 0.54 2.92 1.01 0.79 -0.56 120.40 128.02 2fwu s VAL 537 Ca 0.11 -2.18 -0.19 0.00 0.00 0.00 0.00 61.98 59.73 2fwu s VAL 537 Cb -0.12 -2.75 -0.06 0.00 0.00 0.00 0.00 36.38 33.46 2fwu s VAL 537 CO 0.01 -0.53 1.09 -2.16 0.00 0.00 0.00 175.10 173.50 2fwu s PRO 538 N 0.98 3.46 0.14 2.72 0.04 -1.26 0.20 135.00 141.27 2fwu s PRO 538 Ca 0.08 1.45 -0.11 0.00 0.04 0.00 0.00 61.00 62.45 2fwu s PRO 538 Cb -0.20 -2.04 0.01 0.00 0.04 0.00 0.00 34.50 32.31 2fwu s PRO 538 CO -0.07 -0.73 0.30 1.52 0.04 0.00 0.00 177.00 178.06 2fwu s TYR 539 N -1.99 0.14 0.08 0.56 1.13 0.09 -0.06 117.35 117.29 2fwu s TYR 539 Ca 0.69 -0.52 -0.23 0.00 -1.41 0.00 0.00 57.07 55.60 2fwu s TYR 539 Cb -0.20 0.05 0.06 0.00 -1.10 0.00 0.00 41.96 40.77 2fwu s TYR 539 CO 0.27 -0.68 0.55 -1.59 -2.51 0.00 0.00 175.55 171.59 2fwu s LYS 540 N -3.89 1.11 -0.23 -3.49 -2.85 -0.86 -1.59 119.74 107.95 2fwu s LYS 540 Ca 0.09 -0.29 -0.19 0.00 -1.00 0.00 0.00 55.97 54.58 2fwu s LYS 540 Cb 0.03 0.51 -0.03 0.00 -2.06 0.00 0.00 37.83 36.28 2fwu s LYS 540 CO -0.06 -0.43 0.55 0.95 0.10 0.00 0.00 175.35 176.46 2fwu s THR 541 N -2.82 5.06 -0.29 3.79 -4.23 -0.72 -2.47 115.64 113.97 2fwu s THR 541 Ca -0.03 1.00 -0.18 0.00 -1.18 0.00 0.00 61.69 61.30 2fwu s THR 541 Cb -0.00 -3.87 -0.02 0.00 1.34 0.00 0.00 72.50 69.95 2fwu s THR 541 CO -0.05 0.12 0.51 -0.63 -0.54 0.00 0.00 174.62 174.03 2fwu s ILE 542 N 2.01 5.05 0.23 2.99 1.09 0.11 -4.89 121.20 127.79 2fwu s ILE 542 Ca 0.24 0.74 -0.07 0.00 -1.10 0.00 0.00 60.65 60.46 2fwu s ILE 542 Cb -0.16 -3.86 0.21 0.00 -1.06 0.00 0.00 42.46 37.59 2fwu s ILE 542 CO 0.09 0.00 1.69 -0.33 -0.10 0.00 0.00 174.94 176.30 2fwu h GLU 543 N 8.15 0.27 0.00 2.79 3.07 -1.92 -0.29 114.58 126.65 2fwu h GLU 543 Ca -0.29 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.56 2fwu h GLU 543 Cb 1.14 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 2fwu h GLU 543 CO 0.73 0.18 0.00 0.41 -1.40 0.00 0.00 179.01 178.93 2fwu n GLY 544 N -1.34 1.26 0.07 -3.84 0.00 -1.26 -1.10 105.19 98.98 2fwu n GLY 544 Ca 0.12 0.24 0.01 0.00 0.00 0.00 0.00 46.02 46.39 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 0.66 -2.24 2.61 5.66 -1.02 -5.03 114.28 114.93 2fwu n THR 545 Ca 0.00 -0.83 -0.25 0.00 -3.05 0.00 0.00 64.05 59.91 2fwu n THR 545 Cb 0.00 0.68 0.07 0.00 -1.55 0.00 0.00 70.33 69.53 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 -0.70 3.21 1.11 1.79 0.00 -0.26 -4.71 121.76 122.20 2fwu s ALA 546 Ca 0.03 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 50.85 2fwu s ALA 546 Cb 0.01 -2.55 0.24 0.00 0.00 0.00 0.00 23.12 20.83 2fwu s ALA 546 CO 0.02 -1.28 1.10 1.03 0.00 0.00 0.00 175.76 176.63 2fwu s ARG 547 N -5.22 -0.50 1.11 0.00 1.81 -1.26 -4.95 118.95 109.94 2fwu s ARG 547 Ca 0.60 0.19 -0.15 0.00 -1.72 0.00 0.00 55.73 54.66 2fwu s ARG 547 Cb -0.10 -1.66 0.24 0.00 -0.45 0.00 0.00 34.95 32.98 2fwu s ARG 547 CO 0.44 -3.28 1.08 0.20 -0.68 0.00 0.00 175.30 173.06 2fwu s GLY 548 N -3.68 1.56 0.07 -3.53 0.00 -1.26 -4.49 107.32 95.98 2fwu s GLY 548 Ca 0.68 -0.57 -0.31 0.00 0.00 0.00 0.00 44.72 44.53 2fwu s GLY 548 CO 0.57 0.17 1.79 -0.32 0.00 0.00 0.00 173.10 175.31 2fwu s GLY 549 N -3.48 1.45 0.00 0.20 0.00 -1.26 -1.24 107.32 103.00 2fwu s GLY 549 Ca 0.68 1.29 0.00 0.00 0.00 0.00 0.00 44.72 46.69 2fwu s GLY 549 CO 0.58 3.14 0.00 0.61 0.00 0.00 0.00 173.10 177.43 2fwu n GLY 550 N 4.23 2.77 0.02 0.20 0.00 0.20 -4.87 105.19 107.74 2fwu n GLY 550 Ca 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 2fwu n GLY 550 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2fwu h GLU 551 N 2.82 0.00 0.00 1.61 4.57 -1.50 -3.43 114.58 118.65 2fwu h GLU 551 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 2fwu h GLU 551 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2fwu h GLU 551 CO 0.00 0.00 -1.68 -0.25 -1.18 0.00 0.00 179.01 175.90 2fwu n ASP 552 N -2.99 1.87 -3.70 1.04 9.92 -1.14 -4.82 116.55 116.72 2fwu n ASP 552 Ca -0.01 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.11 2fwu n ASP 552 Cb 0.04 1.43 -0.07 0.00 -0.64 0.00 0.00 41.12 41.88 2fwu n ASP 552 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2fwu s PHE 553 N -2.80 -0.25 -0.21 1.24 -0.71 -1.25 -2.70 117.98 111.29 2fwu s PHE 553 Ca -0.05 0.32 -0.22 0.00 -1.04 0.00 0.00 56.93 55.93 2fwu s PHE 553 Cb 0.08 0.17 -0.02 0.00 -1.21 0.00 0.00 43.02 42.04 2fwu s PHE 553 CO 0.56 -0.48 0.71 -2.00 -1.34 0.00 0.00 175.22 172.67 2fwu s GLU 554 N -1.79 4.20 -0.51 1.99 -6.30 0.09 0.60 118.70 116.98 2fwu s GLU 554 Ca -0.10 0.75 -0.28 0.00 -2.50 0.00 0.00 54.97 52.84 2fwu s GLU 554 Cb -0.03 -3.61 0.01 0.00 0.00 0.00 0.00 34.13 30.50 2fwu s GLU 554 CO 0.02 -0.35 1.51 0.34 0.02 0.00 0.00 175.26 176.80 2fwu s ASP 555 N 1.28 6.04 -0.26 -1.70 2.15 -1.26 -4.48 116.67 118.43 2fwu s ASP 555 Ca 0.31 0.51 -0.09 0.00 0.43 0.00 0.00 52.55 53.72 2fwu s ASP 555 Cb -0.16 -2.54 -0.04 0.00 -0.30 0.00 0.00 42.92 39.89 2fwu s ASP 555 CO 0.10 -1.73 0.11 0.28 -0.17 0.00 0.00 175.17 173.75 2fwu s THR 556 N 6.38 4.65 -0.24 1.71 -1.32 -1.26 -4.97 115.64 120.59 2fwu s THR 556 Ca 0.59 -0.06 -0.03 0.00 -1.21 0.00 0.00 61.69 60.98 2fwu s THR 556 Cb -0.13 -3.19 0.08 0.00 -1.51 0.00 0.00 72.50 67.75 2fwu s THR 556 CO 0.27 0.31 0.09 0.00 -2.21 0.00 0.00 174.62 173.08 2fwu n GLY 558 N 5.12 4.20 2.87 0.00 0.00 -0.62 -4.98 105.19 111.78 2fwu n GLY 558 Ca -0.06 -0.82 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 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 1.77 0.05 0.03 1.61 2.02 -1.26 -0.73 118.70 122.19 2fwu s GLU 559 Ca 0.00 0.33 -0.17 0.00 0.02 0.00 0.00 54.97 55.15 2fwu s GLU 559 Cb 0.00 -0.21 -0.06 0.00 0.10 0.00 0.00 34.13 33.96 2fwu s GLU 559 CO 0.00 -0.18 0.49 -0.51 0.02 0.00 0.00 175.26 175.09 2fwu s LEU 560 N 1.23 4.49 -0.33 1.80 1.43 0.13 -4.87 118.68 122.55 2fwu s LEU 560 Ca -0.08 1.11 -0.13 0.00 -1.03 0.00 0.00 54.13 54.00 2fwu s LEU 560 Cb -0.12 -2.75 -0.02 0.00 0.03 0.00 0.00 46.19 43.33 2fwu s LEU 560 CO -0.05 0.28 0.23 -0.70 0.23 0.00 0.00 176.35 176.34 2fwu s GLU 561 N -1.00 3.52 0.24 1.70 2.12 -1.26 -0.15 118.70 123.86 2fwu s GLU 561 Ca 0.27 -0.63 0.08 0.00 0.36 0.00 0.00 54.97 55.05 2fwu s GLU 561 Cb -0.18 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.39 2fwu s GLU 561 CO 0.16 -0.43 0.08 -0.06 -0.54 0.00 0.00 175.26 174.48 2fwu s PHE 562 N 1.72 2.91 0.25 5.30 0.08 0.64 -4.99 117.98 123.88 2fwu s PHE 562 Ca 0.06 -0.15 -0.20 0.00 0.12 0.00 0.00 56.93 56.76 2fwu s PHE 562 Cb -0.17 -1.32 0.07 0.00 -0.57 0.00 0.00 43.02 41.02 2fwu s PHE 562 CO 0.10 0.56 0.97 1.14 -0.10 0.00 0.00 175.22 177.89 2fwu s GLN 563 N -3.59 1.60 0.46 0.44 -2.07 -1.26 0.18 119.66 115.42 2fwu s GLN 563 Ca 0.31 -1.03 0.12 0.00 -1.82 0.00 0.00 55.36 52.94 2fwu s GLN 563 Cb -0.08 0.44 1.05 0.00 -1.09 0.00 0.00 33.01 33.34 2fwu s GLN 563 CO 0.22 -0.75 2.09 -2.95 -1.32 0.00 0.00 175.29 172.58 2fwu h ASN 564 N 2.00 0.26 0.69 12.60 7.08 -1.31 -1.12 115.58 135.78 2fwu h ASN 564 Ca -0.29 -0.01 0.00 0.00 -3.08 0.00 0.00 56.30 52.92 2fwu h ASN 564 Cb 1.23 -0.06 0.00 0.00 -2.08 0.00 0.00 38.32 37.40 2fwu h ASN 564 CO 0.38 0.19 -0.55 -0.67 -2.08 0.00 0.00 177.43 174.70 2fwu n ASP 565 N -4.50 0.57 -4.75 6.14 2.03 -1.26 -4.86 116.55 109.92 2fwu n ASP 565 Ca 0.02 -0.04 -0.35 0.00 0.52 0.00 0.00 54.79 54.94 2fwu n ASP 565 Cb 0.12 0.19 -0.08 0.00 -0.72 0.00 0.00 41.12 40.63 2fwu n ASP 565 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2fwu s GLU 566 N -3.08 3.92 0.22 -0.67 0.41 -0.42 -5.08 118.70 114.00 2fwu s GLU 566 Ca 0.09 -0.23 0.11 0.00 -0.41 0.00 0.00 54.97 54.53 2fwu s GLU 566 Cb 0.16 -3.30 -0.05 0.00 -1.78 0.00 0.00 34.13 29.16 2fwu s GLU 566 CO 0.70 0.43 -0.22 0.96 -0.49 0.00 0.00 175.26 176.64 2fwu s ILE 567 N -0.02 2.36 0.15 -1.63 -4.36 -1.26 -4.33 121.20 112.11 2fwu s ILE 567 Ca 0.09 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.33 2fwu s ILE 567 Cb -0.11 -2.17 0.00 0.00 1.25 0.00 0.00 42.46 41.43 2fwu s ILE 567 CO -0.00 -0.22 0.00 0.55 0.24 0.00 0.00 174.94 175.51 2fwu n VAL 568 N -0.02 0.00 -3.60 8.37 3.14 -1.26 -4.99 118.33 119.97 2fwu n VAL 568 Ca -0.10 0.03 -0.04 0.00 -2.96 0.00 0.00 64.34 61.27 2fwu n VAL 568 Cb 0.57 -0.24 -0.02 0.00 -1.06 0.00 0.00 33.84 33.10 2fwu n VAL 568 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2fwu s LYS 569 N -1.77 0.58 0.00 1.45 2.47 -1.11 -4.87 119.74 116.49 2fwu s LYS 569 Ca 0.00 -0.26 0.02 0.00 -1.56 0.00 0.00 55.97 54.17 2fwu s LYS 569 Cb 0.00 0.24 -0.01 0.00 -1.46 0.00 0.00 37.83 36.60 2fwu s LYS 569 CO 0.00 -0.26 -0.06 0.95 0.16 0.00 0.00 175.35 176.14 2fwu s THR 570 N -2.72 0.47 -0.25 3.43 -4.23 -1.25 -0.52 115.64 110.56 2fwu s THR 570 Ca 0.10 -0.35 -0.13 0.00 -1.18 0.00 0.00 61.69 60.12 2fwu s THR 570 Cb 0.00 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.38 2fwu s THR 570 CO -0.05 0.07 0.29 -0.63 -0.54 0.00 0.00 174.62 173.76 2fwu s ILE 571 N -0.29 5.25 -0.30 2.99 1.09 -1.00 -4.87 121.20 124.07 2fwu s ILE 571 Ca 0.01 0.43 -0.12 0.00 -1.10 0.00 0.00 60.65 59.87 2fwu s ILE 571 Cb -0.03 -3.63 -0.04 0.00 -1.06 0.00 0.00 42.46 37.70 2fwu s ILE 571 CO -0.00 0.24 0.21 -0.94 -0.10 0.00 0.00 174.94 174.34 2fwu s SER 572 N 1.42 6.03 -0.14 3.58 1.04 -1.25 -2.47 113.70 121.91 2fwu s SER 572 Ca 0.12 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.44 2fwu s SER 572 Cb -0.15 -2.13 -0.00 0.00 0.10 0.00 0.00 66.02 63.84 2fwu s SER 572 CO 0.09 -0.10 -0.18 -0.69 0.98 0.00 0.00 173.24 173.33 2fwu s VAL 573 N 1.75 2.48 -0.54 5.02 1.01 -0.43 -4.95 120.40 124.75 2fwu s VAL 573 Ca 0.07 -0.84 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 2fwu s VAL 573 Cb -0.16 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.22 2fwu s VAL 573 CO 0.11 0.53 1.30 -0.75 0.00 0.00 0.00 175.10 176.29 2fwu s LYS 574 N 0.68 3.47 -0.24 2.72 2.47 -1.26 -1.89 119.74 125.68 2fwu s LYS 574 Ca -0.09 0.46 -0.25 0.00 -1.56 0.00 0.00 55.97 54.53 2fwu s LYS 574 Cb -0.16 -4.05 -0.00 0.00 -1.46 0.00 0.00 37.83 32.16 2fwu s LYS 574 CO 0.02 -1.73 0.86 0.08 0.16 0.00 0.00 175.35 174.74 2fwu s VAL 575 N 5.39 4.80 0.06 4.02 1.01 -0.15 -0.74 120.40 134.80 2fwu s VAL 575 Ca 0.50 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.80 2fwu s VAL 575 Cb -0.09 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 2fwu s VAL 575 CO 0.27 -0.11 1.09 -0.63 0.00 0.00 0.00 175.10 175.73 2fwu s ILE 576 N 2.92 4.35 -0.52 2.22 -1.09 -1.10 -4.54 121.20 123.44 2fwu s ILE 576 Ca 0.36 1.74 -0.26 0.00 -2.23 0.00 0.00 60.65 60.26 2fwu s ILE 576 Cb -0.15 -4.11 -0.07 0.00 -1.58 0.00 0.00 42.46 36.54 2fwu s ILE 576 CO 0.07 0.17 2.40 1.51 -1.23 0.00 0.00 174.94 177.86 2fwu s ASP 577 N 0.81 4.39 0.26 3.58 -4.77 -1.26 -4.66 116.67 115.02 2fwu s ASP 577 Ca 0.54 0.98 -0.30 0.00 -3.30 0.00 0.00 52.55 50.47 2fwu s ASP 577 Cb -0.26 -2.51 -0.11 0.00 -1.09 0.00 0.00 42.92 38.95 2fwu s ASP 577 CO 0.30 -2.97 1.59 -0.62 0.70 0.00 0.00 175.17 174.16 2fwu s ASP 578 N 12.07 6.44 0.02 2.11 2.15 -1.23 -4.93 116.67 133.29 2fwu s ASP 578 Ca 0.97 2.86 0.22 0.00 0.43 0.00 0.00 52.55 57.03 2fwu s ASP 578 Cb -0.17 -2.62 -0.06 0.00 -0.30 0.00 0.00 42.92 39.77 2fwu s ASP 578 CO 0.24 -0.88 0.93 -1.84 -0.17 0.00 0.00 175.17 173.46 2fwu n GLU 579 N 2.68 0.24 -4.47 4.34 0.00 -1.26 -4.99 120.64 117.18 2fwu n GLU 579 Ca 0.10 -0.03 -0.23 0.00 0.00 0.00 0.00 57.16 57.00 2fwu n GLU 579 Cb 0.38 -1.55 -0.11 0.00 0.00 0.00 0.00 31.44 30.16 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 -3.18 1.65 0.59 3.44 1.03 -1.26 -5.12 118.70 115.86 2fwu s GLU 580 Ca 0.04 -1.87 -0.17 0.00 0.03 0.00 0.00 54.97 52.99 2fwu s GLU 580 Cb 0.15 -1.20 -0.03 0.00 -0.80 0.00 0.00 34.13 32.25 2fwu s GLU 580 CO 0.83 -0.02 1.09 1.52 -1.33 0.00 0.00 175.26 177.35 2fwu s TYR 581 N -3.00 2.80 0.18 4.83 1.13 -1.26 -5.05 117.35 116.98 2fwu s TYR 581 Ca 0.32 1.54 -0.10 0.00 -1.41 0.00 0.00 57.07 57.42 2fwu s TYR 581 Cb 0.06 -3.13 -0.01 0.00 -1.10 0.00 0.00 41.96 37.79 2fwu s TYR 581 CO 0.14 -1.38 0.33 -1.83 -2.51 0.00 0.00 175.55 170.31 2fwu s GLU 582 N -3.83 1.24 -0.37 -3.49 -1.05 -1.26 -5.00 118.70 104.94 2fwu s GLU 582 Ca 0.67 -1.17 0.06 0.00 -0.15 0.00 0.00 54.97 54.38 2fwu s GLU 582 Cb -0.19 0.40 0.58 0.00 -0.44 0.00 0.00 34.13 34.49 2fwu s GLU 582 CO 0.35 -0.47 1.69 1.63 0.95 0.00 0.00 175.26 179.40 2fwu n LYS 583 N -0.26 2.05 -1.48 -4.83 4.76 -1.26 -4.90 118.16 112.24 2fwu n LYS 583 Ca -0.06 -3.12 0.00 0.00 -2.87 0.00 0.00 58.31 52.26 2fwu n LYS 583 Cb 0.63 -2.00 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 2fwu n LYS 583 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2fwu n ASN 584 N -1.13 -1.97 -4.91 4.39 4.13 -1.26 -5.07 115.26 109.43 2fwu n ASN 584 Ca 0.47 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 56.45 2fwu n ASN 584 Cb 1.34 -0.99 0.02 0.00 -1.54 0.00 0.00 39.78 38.62 2fwu n ASN 584 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 2fwu s LYS 585 N -0.60 3.15 -0.08 3.52 0.00 -1.25 -4.87 119.74 119.60 2fwu s LYS 585 Ca 0.00 0.18 -0.12 0.00 0.00 0.00 0.00 55.97 56.04 2fwu s LYS 585 Cb 0.00 -2.25 0.03 0.00 0.00 0.00 0.00 37.83 35.61 2fwu s LYS 585 CO 0.00 -0.60 0.29 -0.08 0.00 0.00 0.00 175.35 174.97 2fwu s THR 586 N -2.99 0.02 0.08 3.79 -1.32 -1.26 -1.40 115.64 112.56 2fwu s THR 586 Ca 0.53 -0.20 0.06 0.00 -1.21 0.00 0.00 61.69 60.87 2fwu s THR 586 Cb -0.11 -0.48 -0.03 0.00 -1.51 0.00 0.00 72.50 70.37 2fwu s THR 586 CO 0.47 -0.11 -0.16 0.72 -2.21 0.00 0.00 174.62 173.33 2fwu s PHE 587 N -0.41 1.34 -0.12 9.09 -0.12 -0.83 -2.43 117.98 124.52 2fwu s PHE 587 Ca -0.05 -0.44 -0.03 0.00 -0.05 0.00 0.00 56.93 56.35 2fwu s PHE 587 Cb -0.03 -0.75 -0.03 0.00 -0.63 0.00 0.00 43.02 41.57 2fwu s PHE 587 CO 0.02 0.09 0.00 -0.06 -0.05 0.00 0.00 175.22 175.22 2fwu s PHE 588 N -1.21 3.15 -0.23 3.49 0.08 -0.12 -1.10 117.98 122.04 2fwu s PHE 588 Ca 0.00 0.07 -0.07 0.00 0.12 0.00 0.00 56.93 57.05 2fwu s PHE 588 Cb -0.10 -1.87 -0.03 0.00 -0.57 0.00 0.00 43.02 40.45 2fwu s PHE 588 CO 0.03 0.31 0.06 -1.17 -0.10 0.00 0.00 175.22 174.35 2fwu s LEU 589 N -0.42 3.50 -0.03 -0.37 1.98 0.63 0.06 118.68 124.03 2fwu s LEU 589 Ca 0.08 -0.14 0.03 0.00 -2.89 0.00 0.00 54.13 51.21 2fwu s LEU 589 Cb -0.12 -1.92 0.00 0.00 0.66 0.00 0.00 46.19 44.81 2fwu s LEU 589 CO 0.02 0.03 -0.11 -0.70 -1.89 0.00 0.00 176.35 173.70 2fwu s GLU 590 N 1.25 1.18 -0.05 1.98 2.12 -1.03 -0.94 118.70 123.20 2fwu s GLU 590 Ca 0.05 -0.38 -0.10 0.00 0.36 0.00 0.00 54.97 54.90 2fwu s GLU 590 Cb -0.15 -1.07 -0.05 0.00 0.26 0.00 0.00 34.13 33.13 2fwu s GLU 590 CO 0.03 0.14 0.27 0.96 -0.54 0.00 0.00 175.26 176.12 2fwu s ILE 591 N 0.19 5.28 0.00 -3.70 -4.36 -1.26 -2.03 121.20 115.32 2fwu s ILE 591 Ca -0.04 0.44 0.00 0.00 -0.26 0.00 0.00 60.65 60.79 2fwu s ILE 591 Cb -0.10 -3.55 0.00 0.00 1.25 0.00 0.00 42.46 40.06 2fwu s ILE 591 CO 0.01 0.55 0.00 0.61 0.24 0.00 0.00 174.94 176.34 2fwu n GLY 592 N 1.72 1.05 3.61 6.27 0.00 0.91 -4.94 105.19 113.81 2fwu n GLY 592 Ca -0.16 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 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 3.51 3.92 0.21 1.61 2.12 -1.26 -4.73 118.70 124.08 2fwu s GLU 593 Ca 0.00 0.62 -0.30 0.00 0.36 0.00 0.00 54.97 55.65 2fwu s GLU 593 Cb 0.00 -3.76 -0.08 0.00 0.26 0.00 0.00 34.13 30.55 2fwu s GLU 593 CO 0.00 -0.79 1.10 -1.25 -0.54 0.00 0.00 175.26 173.78 2fwu s PRO 594 N 3.19 4.61 -0.02 4.30 0.04 -1.26 -4.32 135.00 141.54 2fwu s PRO 594 Ca 0.35 1.74 0.04 0.00 0.04 0.00 0.00 61.00 63.17 2fwu s PRO 594 Cb -0.13 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.15 2fwu s PRO 594 CO 0.15 0.12 -0.13 -0.98 0.04 0.00 0.00 177.00 176.20 2fwu s ARG 595 N -0.69 1.15 -0.09 4.56 1.70 0.27 -4.01 118.95 121.86 2fwu s ARG 595 Ca 0.48 -0.44 -0.30 0.00 -0.47 0.00 0.00 55.73 55.00 2fwu s ARG 595 Cb -0.30 -1.08 -0.02 0.00 -0.57 0.00 0.00 34.95 32.98 2fwu s ARG 595 CO 0.37 0.22 1.13 -1.17 -1.08 0.00 0.00 175.30 174.77 2fwu s LEU 596 N -0.09 4.25 -0.13 -1.89 1.98 -1.26 -0.60 118.68 120.94 2fwu s LEU 596 Ca 0.01 1.69 -0.18 0.00 -2.89 0.00 0.00 54.13 52.76 2fwu s LEU 596 Cb -0.07 -3.56 -0.25 0.00 0.66 0.00 0.00 46.19 42.97 2fwu s LEU 596 CO 0.00 -0.55 0.50 0.58 -1.89 0.00 0.00 176.35 174.99 2fwu h VAL 597 N 5.08 1.08 -3.62 1.68 2.07 -0.31 -3.47 116.25 118.77 2fwu h VAL 597 Ca -0.32 -2.34 -0.51 0.00 0.82 0.00 0.00 66.70 64.35 2fwu h VAL 597 Cb 1.15 2.68 -0.03 0.00 -1.52 0.00 0.00 31.29 33.57 2fwu h VAL 597 CO 0.88 0.61 0.20 -1.61 0.02 0.00 0.00 177.57 177.67 2fwu s GLU 598 N -2.42 4.51 -0.57 1.57 2.02 -1.22 -4.99 118.70 117.60 2fwu s GLU 598 Ca -0.22 1.14 -0.18 0.00 0.02 0.00 0.00 54.97 55.73 2fwu s GLU 598 Cb 0.04 -3.08 0.11 0.00 0.10 0.00 0.00 34.13 31.30 2fwu s GLU 598 CO 0.72 0.47 0.63 0.00 0.02 0.00 0.00 175.26 177.10 2fwu s MET 599 N -1.53 3.03 -0.10 1.61 0.23 -1.26 -4.81 119.30 116.47 2fwu s MET 599 Ca 0.41 -1.43 -0.04 0.00 -1.03 0.00 0.00 55.69 53.60 2fwu s MET 599 Cb -0.21 -4.27 0.05 0.00 -1.53 0.00 0.00 34.83 28.87 2fwu s MET 599 CO 0.25 -1.46 0.19 0.45 -2.03 0.00 0.00 175.02 172.42 2fwu s SER 600 N 3.58 0.57 -1.84 -1.18 0.15 -1.26 -4.81 113.70 108.91 2fwu s SER 600 Ca 0.09 0.41 0.00 0.00 0.70 0.00 0.00 55.95 57.15 2fwu s SER 600 Cb -0.26 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2fwu s SER 600 CO 0.05 -0.24 0.00 -0.62 1.20 0.00 0.00 173.24 173.64 2fwu n GLU 601 N 5.24 -1.56 -2.89 5.44 -0.58 -1.26 -4.91 120.64 120.13 2fwu n GLU 601 Ca -0.07 1.04 -0.43 0.00 -0.42 0.00 0.00 57.16 57.28 2fwu n GLU 601 Cb 0.50 -5.59 -0.03 0.00 -0.57 0.00 0.00 31.44 25.74 2fwu n GLU 601 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2fwu s LYS 602 N -4.66 3.29 0.02 3.49 2.47 -1.26 -4.98 119.74 118.12 2fwu s LYS 602 Ca 0.00 -1.20 -0.00 0.00 -1.56 0.00 0.00 55.97 53.21 2fwu s LYS 602 Cb 0.00 -4.51 -0.02 0.00 -1.46 0.00 0.00 37.83 31.84 2fwu s LYS 602 CO 0.00 -1.80 -0.03 0.15 0.16 0.00 0.00 175.35 173.83 2fwu s LYS 603 N 3.52 0.34 -0.77 4.03 1.02 -1.26 -5.08 119.74 121.55 2fwu s LYS 603 Ca 0.26 -0.68 0.03 0.00 0.02 0.00 0.00 55.97 55.60 2fwu s LYS 603 Cb -0.13 0.12 0.20 0.00 -0.52 0.00 0.00 37.83 37.51 2fwu s LYS 603 CO 0.02 -0.06 0.67 0.41 -0.92 0.00 0.00 175.35 175.47 2fwu n GLY 604 N 1.44 4.25 3.57 -3.33 0.00 -1.26 -4.97 105.19 104.89 2fwu n GLY 604 Ca -0.23 -2.63 -0.41 0.00 0.00 0.00 0.00 46.02 42.75 2fwu n GLY 604 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fwu s GLY 605 N -1.29 0.58 -1.63 -0.02 0.00 -1.26 -3.56 107.32 100.14 2fwu s GLY 605 Ca 0.29 -0.44 -0.02 0.00 0.00 0.00 0.00 44.72 44.55 2fwu s GLY 605 CO -0.12 3.17 0.28 0.69 0.00 0.00 0.00 173.10 177.12 2fwu n PHE 606 N 11.06 -1.41 -2.34 1.90 3.72 -1.26 -4.94 117.46 124.20 2fwu n PHE 606 Ca 0.18 0.24 -0.42 0.00 -0.05 0.00 0.00 57.45 57.40 2fwu n PHE 606 Cb 0.50 -4.13 -0.03 0.00 -0.94 0.00 0.00 39.48 34.88 2fwu n PHE 606 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2fwu s THR 607 N -3.08 3.88 -1.19 4.37 -4.23 -1.23 -4.94 115.64 109.23 2fwu s THR 607 Ca 0.14 1.30 -0.12 0.00 -1.18 0.00 0.00 61.69 61.83 2fwu s THR 607 Cb -0.06 -3.84 0.21 0.00 1.34 0.00 0.00 72.50 70.15 2fwu s THR 607 CO 0.17 0.05 1.36 -0.38 -0.54 0.00 0.00 174.62 175.28 2fwu n ILE 608 N 4.30 4.38 0.00 2.99 2.08 -1.26 -4.84 119.36 127.00 2fwu n ILE 608 Ca 0.11 -4.94 0.00 0.00 0.56 0.00 0.00 62.75 58.48 2fwu n ILE 608 Cb 0.45 -2.49 0.00 0.00 -0.75 0.00 0.00 39.64 36.85 2fwu n ILE 608 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2fwu n THR 609 N 3.90 0.00 0.44 1.39 5.66 -1.26 -4.98 114.28 119.43 2fwu n THR 609 Ca 0.33 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.38 2fwu n THR 609 Cb 0.41 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.20 2fwu n THR 609 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2fwu n GLU 610 N -0.17 1.78 -1.21 1.09 1.02 -1.26 -4.72 120.64 117.16 2fwu n GLU 610 Ca 0.00 -0.70 -0.22 0.00 -0.02 0.00 0.00 57.16 56.22 2fwu n GLU 610 Cb 0.00 -1.10 -0.11 0.00 -0.02 0.00 0.00 31.44 30.21 2fwu n GLU 610 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2fwu n GLU 611 N -0.10 2.58 -2.45 3.49 -0.58 -1.26 -4.89 120.64 117.43 2fwu n GLU 611 Ca 0.04 -1.64 -0.43 0.00 -0.42 0.00 0.00 57.16 54.72 2fwu n GLU 611 Cb 0.22 -2.23 -0.02 0.00 -0.57 0.00 0.00 31.44 28.84 2fwu n GLU 611 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2fwu s TYR 612 N 0.62 2.88 -1.48 -0.32 5.04 -1.26 -3.13 117.35 119.70 2fwu s TYR 612 Ca 0.65 1.04 -0.09 0.00 -2.44 0.00 0.00 57.07 56.23 2fwu s TYR 612 Cb 0.29 -3.56 0.06 0.00 0.35 0.00 0.00 41.96 39.11 2fwu s TYR 612 CO -0.06 -1.55 0.82 -0.25 -1.34 0.00 0.00 175.55 173.17 2fwu n ASP 613 N 6.78 -3.13 -4.38 4.32 9.92 -1.26 -4.90 116.55 123.90 2fwu n ASP 613 Ca 0.14 -0.85 -0.31 0.00 -0.53 0.00 0.00 54.79 53.24 2fwu n ASP 613 Cb 0.45 -3.68 0.20 0.00 -0.64 0.00 0.00 41.12 37.45 2fwu n ASP 613 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2fwu n ASP 614 N -2.89 -1.98 -0.98 -2.24 5.68 -1.18 -4.96 116.55 108.00 2fwu n ASP 614 Ca -0.08 -0.06 0.03 0.00 -0.50 0.00 0.00 54.79 54.17 2fwu n ASP 614 Cb 0.58 -1.12 0.23 0.00 -1.14 0.00 0.00 41.12 39.67 2fwu n ASP 614 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2fwu n LYS 615 N -3.18 2.36 -2.56 0.11 5.02 -1.26 -4.99 118.16 113.66 2fwu n LYS 615 Ca 0.03 -2.97 -0.35 0.00 -2.02 0.00 0.00 58.31 52.99 2fwu n LYS 615 Cb 0.58 -1.82 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 2fwu n LYS 615 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2fwu s GLN 616 N -3.02 3.97 1.04 1.97 -0.21 -1.26 -5.02 119.66 117.14 2fwu s GLN 616 Ca 0.43 1.41 -0.13 0.00 0.02 0.00 0.00 55.36 57.09 2fwu s GLN 616 Cb 0.37 -2.28 0.17 0.00 1.00 0.00 0.00 33.01 32.27 2fwu s GLN 616 CO 0.05 -0.29 0.80 -0.35 -2.12 0.00 0.00 175.29 173.37 2fwu n PRO 617 N -0.59 -1.29 -1.59 2.91 -0.04 -1.26 -4.79 135.00 128.35 2fwu n PRO 617 Ca 0.07 -0.33 -0.45 0.00 -0.04 0.00 0.00 63.50 62.75 2fwu n PRO 617 Cb 0.51 -2.11 -0.04 0.00 -0.04 0.00 0.00 33.50 31.82 2fwu n PRO 617 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2fwu n LEU 618 N -3.59 3.17 -3.83 1.53 7.99 -1.26 -4.91 117.00 116.11 2fwu n LEU 618 Ca 0.06 0.43 -0.09 0.00 -0.01 0.00 0.00 56.01 56.39 2fwu n LEU 618 Cb 0.54 -1.47 -0.06 0.00 -0.11 0.00 0.00 43.42 42.32 2fwu n LEU 618 CO 0.52 -0.51 0.01 0.28 -1.51 0.00 0.00 177.39 176.19 2fwu s THR 619 N 7.13 0.09 0.00 -5.08 -1.32 -1.26 -5.05 115.64 110.15 2fwu s THR 619 Ca 1.00 -1.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 2fwu s THR 619 Cb -0.50 -1.47 0.00 0.00 -1.51 0.00 0.00 72.50 69.03 2fwu s THR 619 CO 0.41 -0.43 0.00 -1.54 -2.21 0.00 0.00 174.62 170.85 2fwu n SER 620 N -0.17 0.00 -1.54 8.08 3.41 -1.26 -5.04 113.62 117.10 2fwu n SER 620 Ca -0.13 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.29 2fwu n SER 620 Cb 0.63 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.50 2fwu n SER 620 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2fwu n LYS 621 N -1.17 -1.35 -1.90 4.33 5.02 -1.26 -1.00 118.16 120.82 2fwu n LYS 621 Ca 0.00 1.15 -0.17 0.00 -2.02 0.00 0.00 58.31 57.27 2fwu n LYS 621 Cb 0.00 -5.49 -0.04 0.00 -0.02 0.00 0.00 35.03 29.48 2fwu n LYS 621 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2fwu n GLU 622 N -2.48 -1.63 -2.52 1.97 1.02 -1.26 -4.95 120.64 110.80 2fwu n GLU 622 Ca -0.20 0.91 -0.40 0.00 -0.02 0.00 0.00 57.16 57.45 2fwu n GLU 622 Cb 0.63 -5.37 -0.04 0.00 -0.02 0.00 0.00 31.44 26.64 2fwu n GLU 622 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2fwu s GLU 623 N -4.14 4.66 0.01 3.49 2.12 -0.17 -4.96 118.70 119.70 2fwu s GLU 623 Ca 0.00 1.75 -0.25 0.00 0.36 0.00 0.00 54.97 56.83 2fwu s GLU 623 Cb 0.00 -3.21 -0.17 0.00 0.26 0.00 0.00 34.13 31.01 2fwu s GLU 623 CO 0.00 0.24 1.27 1.49 -0.54 0.00 0.00 175.26 177.72 2fwu h GLU 624 N 4.03 -0.32 -0.59 4.30 4.22 -1.92 -3.14 114.58 121.16 2fwu h GLU 624 Ca -0.46 0.02 0.17 0.00 0.08 0.00 0.00 59.36 59.17 2fwu h GLU 624 Cb 1.21 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 2fwu h GLU 624 CO 0.68 0.00 0.43 0.93 -2.18 0.00 0.00 179.01 178.87 2fwu h GLU 625 N -0.67 0.00 -1.11 1.92 5.08 -1.96 -1.12 114.58 116.72 2fwu h GLU 625 Ca -0.03 0.00 0.31 0.00 -1.00 0.00 0.00 59.36 58.63 2fwu h GLU 625 Cb 0.47 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.63 2fwu h GLU 625 CO 0.06 0.00 0.73 -0.09 -1.00 0.00 0.00 179.01 178.71 2fwu h ARG 626 N 0.00 0.26 0.00 2.33 1.12 -1.85 -1.63 114.38 114.60 2fwu h ARG 626 Ca 0.28 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 59.11 2fwu h ARG 626 Cb 1.14 -0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 31.03 2fwu h ARG 626 CO -0.00 0.17 -0.10 0.00 -3.11 0.00 0.00 179.97 176.93 2fwu h ARG 627 N 0.27 0.00 -0.44 0.20 3.08 -1.36 0.10 114.38 116.23 2fwu h ARG 627 Ca 0.62 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.56 2fwu h ARG 627 Cb 1.82 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.85 2fwu h ARG 627 CO -0.26 0.10 -0.19 0.82 -1.07 0.00 0.00 179.97 179.38 2fwu h ILE 628 N 0.00 1.27 -0.04 2.04 2.04 -1.51 -2.50 117.51 118.81 2fwu h ILE 628 Ca -0.00 -1.31 -0.16 0.00 1.00 0.00 0.00 64.86 64.39 2fwu h ILE 628 Cb 0.24 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2fwu h ILE 628 CO 0.01 0.45 -0.69 0.00 0.00 0.00 0.00 178.15 177.92 2fwu h ALA 629 N 1.03 0.75 0.00 1.87 0.00 -1.14 -2.91 119.26 118.86 2fwu h ALA 629 Ca 0.11 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 2fwu h ALA 629 Cb 0.72 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2fwu h ALA 629 CO 0.06 0.79 -0.14 0.93 0.00 0.00 0.00 179.25 180.89 2fwu h GLU 630 N 0.14 0.00 -0.01 0.00 4.39 -0.74 0.38 114.58 118.74 2fwu h GLU 630 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2fwu h GLU 630 Cb 1.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2fwu h GLU 630 CO 0.11 0.14 -0.54 0.00 -1.16 0.00 0.00 179.01 177.55 2fwu n MET 631 N -3.58 0.57 -0.11 2.33 0.00 -0.97 -1.66 117.12 113.70 2fwu n MET 631 Ca -0.01 -0.42 -0.23 0.00 0.00 0.00 0.00 57.70 57.04 2fwu n MET 631 Cb 0.27 -1.49 -0.12 0.00 0.00 0.00 0.00 33.22 31.89 2fwu n MET 631 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2fwu n GLY 632 N 1.43 -0.47 3.64 3.17 0.00 -0.61 -4.36 105.19 108.00 2fwu n GLY 632 Ca 0.08 -0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.51 4.01 0.39 1.61 0.52 0.12 -4.84 118.95 118.26 2fwu s ARG 633 Ca -0.34 -0.31 -0.27 0.00 -0.52 0.00 0.00 55.73 54.30 2fwu s ARG 633 Cb 0.10 -3.40 -0.09 0.00 0.52 0.00 0.00 34.95 32.08 2fwu s ARG 633 CO 0.59 0.13 1.30 -1.25 0.02 0.00 0.00 175.30 176.09 2fwu s PRO 634 N 0.82 4.07 0.46 3.54 0.04 -1.26 -4.46 135.00 138.20 2fwu s PRO 634 Ca 0.06 2.16 0.03 0.00 0.04 0.00 0.00 61.00 63.29 2fwu s PRO 634 Cb -0.13 -2.83 -0.03 0.00 0.04 0.00 0.00 34.50 31.55 2fwu s PRO 634 CO 0.02 -0.41 0.04 0.96 0.04 0.00 0.00 177.00 177.65 2fwu s ILE 635 N -1.24 1.18 0.46 0.56 -5.25 -0.17 -4.12 121.20 112.61 2fwu s ILE 635 Ca 0.55 -2.00 -0.18 0.00 -0.99 0.00 0.00 60.65 58.03 2fwu s ILE 635 Cb -0.38 -2.39 -0.09 0.00 2.95 0.00 0.00 42.46 42.54 2fwu s ILE 635 CO 0.50 0.00 0.93 -1.48 -1.79 0.00 0.00 174.94 173.10 2fwu s LEU 636 N -3.76 3.81 0.00 0.37 -0.00 -1.26 -2.78 118.68 115.06 2fwu s LEU 636 Ca 0.17 1.57 0.00 0.00 -0.00 0.00 0.00 54.13 55.87 2fwu s LEU 636 Cb 0.04 -4.45 0.00 0.00 -0.00 0.00 0.00 46.19 41.78 2fwu s LEU 636 CO 0.09 -0.45 0.00 0.61 -0.00 0.00 0.00 176.35 176.60 2fwu n GLY 637 N -1.06 0.90 0.06 -3.48 0.00 0.69 -4.65 105.19 97.65 2fwu n GLY 637 Ca 0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 46.02 45.24 2fwu n GLY 637 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2fwu h GLU 638 N 0.00 0.00 -3.59 1.61 4.57 -1.94 -3.44 114.58 111.79 2fwu h GLU 638 Ca 0.00 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.56 2fwu h GLU 638 Cb 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 28.75 28.19 2fwu h GLU 638 CO 0.00 0.13 -0.71 -3.38 -1.18 0.00 0.00 179.01 173.87 2fwu s HIS 639 N -1.86 2.60 -0.85 0.92 -3.43 -1.26 -5.02 115.29 106.40 2fwu s HIS 639 Ca -0.07 -2.58 -0.16 0.00 -0.80 0.00 0.00 55.06 51.44 2fwu s HIS 639 Cb 0.01 -2.30 0.18 0.00 -1.43 0.00 0.00 32.58 29.04 2fwu s HIS 639 CO 0.15 -0.83 0.89 0.95 -2.00 0.00 0.00 174.74 173.90 2fwu s THR 640 N 0.60 5.26 -0.29 -5.38 -4.23 -1.26 -3.57 115.64 106.76 2fwu s THR 640 Ca 0.14 -2.07 -0.20 0.00 -1.18 0.00 0.00 61.69 58.38 2fwu s THR 640 Cb -0.22 -4.58 0.16 0.00 1.34 0.00 0.00 72.50 69.20 2fwu s THR 640 CO -0.07 -1.20 1.13 -0.75 -0.54 0.00 0.00 174.62 173.19 2fwu s LYS 641 N 1.20 0.29 -0.23 3.99 2.36 -1.26 -4.63 119.74 121.45 2fwu s LYS 641 Ca 0.23 0.42 -0.03 0.00 -2.55 0.00 0.00 55.97 54.04 2fwu s LYS 641 Cb -0.09 0.10 0.07 0.00 -1.05 0.00 0.00 37.83 36.86 2fwu s LYS 641 CO -0.08 -0.05 0.07 -1.17 1.55 0.00 0.00 175.35 175.66 2fwu s LEU 642 N 0.76 1.31 -0.57 5.43 2.96 -0.12 -4.27 118.68 124.17 2fwu s LEU 642 Ca -0.03 -1.07 -0.23 0.00 -0.22 0.00 0.00 54.13 52.59 2fwu s LEU 642 Cb -0.04 -0.61 0.05 0.00 0.50 0.00 0.00 46.19 46.09 2fwu s LEU 642 CO -0.12 -0.35 0.91 -0.70 -1.32 0.00 0.00 176.35 174.77 2fwu s GLU 643 N 1.85 3.25 -0.50 1.98 2.12 0.16 -0.27 118.70 127.29 2fwu s GLU 643 Ca 0.03 -0.48 -0.19 0.00 0.36 0.00 0.00 54.97 54.69 2fwu s GLU 643 Cb -0.17 -4.10 0.05 0.00 0.26 0.00 0.00 34.13 30.17 2fwu s GLU 643 CO -0.16 -1.54 0.62 0.08 -0.54 0.00 0.00 175.26 173.72 2fwu s VAL 644 N 3.84 4.87 -0.17 3.70 1.01 -0.26 -0.79 120.40 132.60 2fwu s VAL 644 Ca 0.26 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 2fwu s VAL 644 Cb -0.14 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2fwu s VAL 644 CO 0.16 -0.78 0.43 -0.63 0.00 0.00 0.00 175.10 174.28 2fwu s ILE 645 N 2.64 5.19 -0.24 2.22 1.09 0.24 -1.96 121.20 130.38 2fwu s ILE 645 Ca 0.16 0.80 -0.11 0.00 -1.10 0.00 0.00 60.65 60.39 2fwu s ILE 645 Cb -0.19 -3.76 -0.05 0.00 -1.06 0.00 0.00 42.46 37.40 2fwu s ILE 645 CO 0.13 0.27 0.20 -0.63 -0.10 0.00 0.00 174.94 174.81 2fwu s ILE 646 N 1.09 5.32 0.13 2.92 1.09 -0.49 -1.47 121.20 129.79 2fwu s ILE 646 Ca 0.22 0.26 0.06 0.00 -1.10 0.00 0.00 60.65 60.08 2fwu s ILE 646 Cb -0.15 -3.54 -0.04 0.00 -1.06 0.00 0.00 42.46 37.67 2fwu s ILE 646 CO 0.08 0.31 0.02 -1.83 -0.10 0.00 0.00 174.94 173.42 2fwu s GLU 647 N 1.25 2.55 -1.32 2.79 4.04 -0.45 -3.92 118.70 123.63 2fwu s GLU 647 Ca 0.09 -0.94 -0.14 0.00 0.04 0.00 0.00 54.97 54.02 2fwu s GLU 647 Cb -0.14 -2.49 0.10 0.00 0.02 0.00 0.00 34.13 31.62 2fwu s GLU 647 CO 0.06 0.50 1.84 0.39 -1.84 0.00 0.00 175.26 176.21 2fwu n GLU 648 N 0.18 3.22 -2.27 -4.83 1.02 -1.26 -1.38 120.64 115.31 2fwu n GLU 648 Ca -0.10 -3.25 -0.16 0.00 -0.02 0.00 0.00 57.16 53.62 2fwu n GLU 648 Cb 0.53 -3.24 0.02 0.00 -0.02 0.00 0.00 31.44 28.73 2fwu n GLU 648 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2fwu n SER 649 N 6.32 -3.12 0.01 1.62 7.64 -1.26 -4.90 113.62 119.92 2fwu n SER 649 Ca 0.46 -0.02 -0.01 0.00 1.01 0.00 0.00 58.87 60.31 2fwu n SER 649 Cb 0.41 -0.86 -0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2fwu n SER 649 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2fwu n TYR 650 N 0.16 0.00 0.00 1.43 9.36 -1.26 -5.00 117.16 121.85 2fwu n TYR 650 Ca -0.04 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.18 2fwu n TYR 650 Cb 0.35 -0.06 0.00 0.00 -0.63 0.00 0.00 39.34 39.00 2fwu n TYR 650 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 2fwu n GLU 651 N -3.12 0.00 -3.01 2.98 2.13 -1.26 -5.15 120.64 113.22 2fwu n GLU 651 Ca -0.02 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.40 2fwu n GLU 651 Cb 0.07 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.73 2fwu n GLU 651 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2fwu s PHE 652 N -2.00 3.51 -0.18 4.31 5.36 -1.26 -4.92 117.98 122.80 2fwu s PHE 652 Ca 0.00 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.18 2fwu s PHE 652 Cb 0.00 -2.86 0.04 0.00 -0.34 0.00 0.00 43.02 39.86 2fwu s PHE 652 CO 0.00 -0.03 -0.08 0.15 -1.46 0.00 0.00 175.22 173.80 2fwu s LYS 653 N 1.30 1.76 -0.69 10.12 1.02 -1.26 -5.07 119.74 126.92 2fwu s LYS 653 Ca 0.37 -0.69 -0.18 0.00 0.02 0.00 0.00 55.97 55.49 2fwu s LYS 653 Cb -0.17 -2.22 0.13 0.00 -0.52 0.00 0.00 37.83 35.05 2fwu s LYS 653 CO 0.16 -0.43 0.78 -1.12 -0.92 0.00 0.00 175.35 173.82 2fwu s SER 654 N 1.51 6.37 -0.23 2.83 0.01 -1.26 -4.37 113.70 118.55 2fwu s SER 654 Ca -0.00 -1.80 -0.03 0.00 1.31 0.00 0.00 55.95 55.42 2fwu s SER 654 Cb -0.16 -2.30 0.10 0.00 0.21 0.00 0.00 66.02 63.88 2fwu s SER 654 CO -0.08 -0.99 0.24 -0.89 0.41 0.00 0.00 173.24 171.93 2fwu s THR 655 N 2.13 -0.34 -0.25 1.44 2.01 -1.26 -5.12 115.64 114.26 2fwu s THR 655 Ca 0.16 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 2fwu s THR 655 Cb -0.19 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 2fwu s THR 655 CO 0.00 -0.29 0.05 -0.69 -0.69 0.00 0.00 174.62 173.00 2fwu s VAL 656 N 2.33 4.05 -2.39 3.82 1.01 -1.26 -5.00 120.40 122.95 2fwu s VAL 656 Ca 0.08 -0.32 0.19 0.00 0.00 0.00 0.00 61.98 61.93 2fwu s VAL 656 Cb -0.15 -2.91 0.15 0.00 0.00 0.00 0.00 36.38 33.47 2fwu s VAL 656 CO -0.18 0.32 1.11 -0.90 0.00 0.00 0.00 175.10 175.45