#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 3.00 -3.18 1.57 0.00 -0.88 -4.39 120.51 116.63 2fwu n ALA 502 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2fwu n ALA 502 Cb 0.00 0.21 -0.10 0.00 0.00 0.00 0.00 19.45 19.56 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 -4.90 -0.13 -0.28 0.00 0.00 -1.26 -3.46 107.32 97.29 2fwu s GLY 503 Ca 0.00 0.40 0.02 0.00 0.00 0.00 0.00 44.72 45.14 2fwu s GLY 503 CO 0.00 0.25 -0.02 -0.42 0.00 0.00 0.00 173.10 172.91 2fwu s ILE 504 N -0.78 1.80 -0.19 0.90 1.09 -1.25 -0.52 121.20 122.25 2fwu s ILE 504 Ca -0.09 -1.66 -0.02 0.00 -1.10 0.00 0.00 60.65 57.78 2fwu s ILE 504 Cb -0.05 -2.15 -0.00 0.00 -1.06 0.00 0.00 42.46 39.21 2fwu s ILE 504 CO 0.02 -0.30 -0.11 -0.36 -0.10 0.00 0.00 174.94 174.09 2fwu s PHE 505 N 1.21 2.88 0.13 3.97 0.40 -0.42 -3.10 117.98 123.04 2fwu s PHE 505 Ca 0.00 -1.12 -0.09 0.00 -0.60 0.00 0.00 56.93 55.12 2fwu s PHE 505 Cb -0.19 -2.01 -0.01 0.00 0.51 0.00 0.00 43.02 41.33 2fwu s PHE 505 CO -0.09 -0.58 0.24 -0.08 0.70 0.00 0.00 175.22 175.41 2fwu s THR 506 N 1.25 0.10 0.29 0.64 -1.32 -1.26 0.04 115.64 115.39 2fwu s THR 506 Ca 0.03 -1.30 -0.17 0.00 -1.21 0.00 0.00 61.69 59.04 2fwu s THR 506 Cb -0.14 -1.63 -0.09 0.00 -1.51 0.00 0.00 72.50 69.13 2fwu s THR 506 CO -0.05 -0.45 0.74 -0.36 -2.21 0.00 0.00 174.62 172.29 2fwu s PHE 507 N -3.92 3.45 -0.33 9.09 0.08 -0.91 -1.67 117.98 123.77 2fwu s PHE 507 Ca 0.12 1.28 0.22 0.00 0.12 0.00 0.00 56.93 58.67 2fwu s PHE 507 Cb 0.04 -2.57 0.17 0.00 -0.57 0.00 0.00 43.02 40.09 2fwu s PHE 507 CO -0.05 0.16 1.34 1.49 -0.10 0.00 0.00 175.22 178.07 2fwu h GLU 508 N 2.60 0.00 -4.29 0.44 4.22 -1.89 -3.44 114.58 112.22 2fwu h GLU 508 Ca -0.48 0.00 -0.53 0.00 0.08 0.00 0.00 59.36 58.43 2fwu h GLU 508 Cb 1.18 0.00 -0.37 0.00 0.50 0.00 0.00 28.75 30.06 2fwu h GLU 508 CO 0.65 0.04 -0.81 -2.00 -2.18 0.00 0.00 179.01 174.71 2fwu s GLU 509 N -3.25 1.61 0.29 1.92 2.56 -1.26 -4.98 118.70 115.59 2fwu s GLU 509 Ca 0.03 -0.29 0.16 0.00 0.00 0.00 0.00 54.97 54.87 2fwu s GLU 509 Cb 0.07 -1.63 0.10 0.00 2.00 0.00 0.00 34.13 34.67 2fwu s GLU 509 CO 0.73 -0.25 1.45 -1.00 -0.56 0.00 0.00 175.26 175.63 2fwu h PRO 510 N 8.10 0.00 -3.28 4.30 0.13 -1.85 -3.42 132.00 135.98 2fwu h PRO 510 Ca -0.31 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.56 2fwu h PRO 510 Cb 1.13 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.94 2fwu h PRO 510 CO 0.42 0.42 -0.62 0.08 -0.23 0.00 0.00 178.00 178.07 2fwu s VAL 511 N -3.00 -0.07 0.02 1.56 1.01 -1.26 0.04 120.40 118.70 2fwu s VAL 511 Ca 0.04 0.21 0.05 0.00 0.00 0.00 0.00 61.98 62.28 2fwu s VAL 511 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 2fwu s VAL 511 CO 0.74 0.08 -0.16 0.28 0.00 0.00 0.00 175.10 176.04 2fwu s THR 512 N 1.27 1.26 -0.23 3.92 -1.32 0.13 -4.92 115.64 115.75 2fwu s THR 512 Ca -0.08 -0.88 -0.06 0.00 -1.21 0.00 0.00 61.69 59.47 2fwu s THR 512 Cb -0.12 -1.09 -0.02 0.00 -1.51 0.00 0.00 72.50 69.76 2fwu s THR 512 CO -0.05 0.20 0.02 -1.00 -2.21 0.00 0.00 174.62 171.57 2fwu s HIS 513 N -0.61 3.04 0.13 9.09 3.76 -1.26 -0.53 115.29 128.90 2fwu s HIS 513 Ca 0.05 -0.59 0.10 0.00 -0.15 0.00 0.00 55.06 54.46 2fwu s HIS 513 Cb -0.07 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.41 2fwu s HIS 513 CO 0.01 -0.40 -0.22 0.14 -0.85 0.00 0.00 174.74 173.41 2fwu s VAL 514 N 1.46 2.56 0.41 -0.90 -7.23 -0.24 -4.98 120.40 111.48 2fwu s VAL 514 Ca 0.05 -1.64 -0.14 0.00 -1.81 0.00 0.00 61.98 58.44 2fwu s VAL 514 Cb -0.15 -2.16 -0.08 0.00 0.56 0.00 0.00 36.38 34.56 2fwu s VAL 514 CO 0.01 0.09 0.83 -0.55 -0.31 0.00 0.00 175.10 175.17 2fwu s SER 515 N -2.12 6.67 0.53 4.85 0.15 -1.26 -0.47 113.70 122.04 2fwu s SER 515 Ca 0.16 1.34 0.31 0.00 0.70 0.00 0.00 55.95 58.46 2fwu s SER 515 Cb -0.10 -2.40 1.27 0.00 -1.71 0.00 0.00 66.02 63.07 2fwu s SER 515 CO 0.08 -0.38 1.95 -0.08 1.20 0.00 0.00 173.24 176.01 2fwu h GLU 516 N 1.55 0.00 -0.48 5.44 4.81 -1.19 -2.87 114.58 121.84 2fwu h GLU 516 Ca -0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2fwu h GLU 516 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2fwu h GLU 516 CO 0.63 0.06 0.00 0.43 -0.73 0.00 0.00 179.01 179.40 2fwu n SER 517 N -3.18 2.38 -4.87 1.04 7.64 -1.26 -4.85 113.62 110.52 2fwu n SER 517 Ca 0.00 -2.11 -0.31 0.00 1.01 0.00 0.00 58.87 57.47 2fwu n SER 517 Cb 0.33 -0.33 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 2fwu n SER 517 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2fwu s ILE 518 N -1.58 4.78 -0.09 0.44 2.07 -1.09 -5.02 121.20 120.72 2fwu s ILE 518 Ca 0.26 0.66 -0.06 0.00 -1.41 0.00 0.00 60.65 60.11 2fwu s ILE 518 Cb 0.15 -3.70 -0.02 0.00 0.13 0.00 0.00 42.46 39.02 2fwu s ILE 518 CO 0.16 -0.42 -0.12 0.61 -1.91 0.00 0.00 174.94 173.26 2fwu n GLY 519 N -1.02 -0.77 3.13 1.50 0.00 -1.26 -4.36 105.19 102.41 2fwu n GLY 519 Ca 0.02 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.79 2.03 -0.07 -0.61 -1.09 -1.26 -1.46 121.20 116.95 2fwu s ILE 520 Ca -0.10 -0.93 -0.14 0.00 -2.23 0.00 0.00 60.65 57.25 2fwu s ILE 520 Cb 0.01 -1.83 -0.05 0.00 -1.58 0.00 0.00 42.46 39.02 2fwu s ILE 520 CO 0.14 0.54 0.34 0.00 -1.23 0.00 0.00 174.94 174.74 2fwu s MET 521 N 1.16 3.98 -0.03 2.79 0.23 0.15 -4.88 119.30 122.70 2fwu s MET 521 Ca 0.02 0.25 0.06 0.00 -1.03 0.00 0.00 55.69 54.98 2fwu s MET 521 Cb -0.14 -3.29 -0.01 0.00 -1.53 0.00 0.00 34.83 29.86 2fwu s MET 521 CO -0.10 0.53 -0.20 -1.21 -2.03 0.00 0.00 175.02 172.01 2fwu s GLU 522 N -0.49 1.77 -0.00 3.16 2.02 -1.25 -1.77 118.70 122.14 2fwu s GLU 522 Ca 0.21 -0.71 0.04 0.00 0.02 0.00 0.00 54.97 54.53 2fwu s GLU 522 Cb -0.15 -1.64 -0.01 0.00 0.10 0.00 0.00 34.13 32.43 2fwu s GLU 522 CO 0.09 0.38 -0.14 0.08 0.02 0.00 0.00 175.26 175.69 2fwu s VAL 523 N -0.30 1.12 0.03 2.63 1.01 -1.22 -4.90 120.40 118.77 2fwu s VAL 523 Ca 0.04 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.11 2fwu s VAL 523 Cb -0.09 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 2fwu s VAL 523 CO 0.00 0.27 0.74 -0.54 0.00 0.00 0.00 175.10 175.58 2fwu s LYS 524 N -0.45 4.47 0.05 2.72 -0.14 -1.25 -2.50 119.74 122.63 2fwu s LYS 524 Ca 0.05 1.01 0.04 0.00 -1.36 0.00 0.00 55.97 55.72 2fwu s LYS 524 Cb -0.06 -3.37 -0.04 0.00 -1.68 0.00 0.00 37.83 32.69 2fwu s LYS 524 CO -0.00 0.28 -0.05 0.08 -0.76 0.00 0.00 175.35 174.90 2fwu s VAL 525 N -0.02 3.72 0.03 3.17 1.01 -0.73 -3.08 120.40 124.49 2fwu s VAL 525 Ca 0.38 -0.92 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 2fwu s VAL 525 Cb -0.20 -2.69 -0.06 0.00 0.00 0.00 0.00 36.38 33.44 2fwu s VAL 525 CO 0.22 0.26 0.66 -0.76 0.00 0.00 0.00 175.10 175.48 2fwu s LEU 526 N -1.82 4.45 0.38 3.92 2.01 -0.67 -3.49 118.68 123.46 2fwu s LEU 526 Ca 0.20 1.29 -0.17 0.00 0.01 0.00 0.00 54.13 55.46 2fwu s LEU 526 Cb -0.11 -3.04 -0.10 0.00 0.01 0.00 0.00 46.19 42.95 2fwu s LEU 526 CO 0.12 0.10 0.83 -0.60 1.01 0.00 0.00 176.35 177.81 2fwu s ARG 527 N -0.29 4.08 0.50 1.70 3.52 -1.26 -3.98 118.95 123.22 2fwu s ARG 527 Ca 0.33 0.85 -0.21 0.00 -0.13 0.00 0.00 55.73 56.58 2fwu s ARG 527 Cb -0.19 -2.32 -0.10 0.00 -1.56 0.00 0.00 34.95 30.79 2fwu s ARG 527 CO 0.20 0.06 0.71 -2.37 -0.81 0.00 0.00 175.30 173.08 2fwu n THR 528 N -0.57 2.39 -0.16 4.11 5.66 -1.18 -4.78 114.28 119.76 2fwu n THR 528 Ca 0.05 -0.50 -0.05 0.00 -3.05 0.00 0.00 64.05 60.49 2fwu n THR 528 Cb 0.54 -0.83 0.12 0.00 -1.55 0.00 0.00 70.33 68.61 2fwu n THR 528 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2fwu h SER 529 N 0.73 0.87 -3.42 1.09 0.02 -1.81 -3.37 113.55 107.66 2fwu h SER 529 Ca -0.44 -0.21 -0.72 0.00 -0.84 0.00 0.00 61.79 59.58 2fwu h SER 529 Cb 1.38 -0.23 -0.29 0.00 0.14 0.00 0.00 62.40 63.40 2fwu h SER 529 CO 0.51 0.91 -0.46 -0.83 -1.14 0.00 0.00 176.83 175.82 2fwu s GLY 530 N -3.64 1.98 -0.59 -3.77 0.00 -1.22 -4.96 107.32 95.12 2fwu s GLY 530 Ca -0.10 -2.28 0.06 0.00 0.00 0.00 0.00 44.72 42.40 2fwu s GLY 530 CO 0.82 1.01 0.81 0.00 0.00 0.00 0.00 173.10 175.74 2fwu n ALA 531 N 4.88 4.12 -3.86 3.20 0.00 -1.26 -4.74 120.51 122.84 2fwu n ALA 531 Ca -0.09 -4.61 -0.33 0.00 0.00 0.00 0.00 53.44 48.42 2fwu n ALA 531 Cb 0.42 -0.83 -0.12 0.00 0.00 0.00 0.00 19.45 18.92 2fwu n ALA 531 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2fwu s ARG 532 N -2.78 2.18 0.00 0.00 1.81 -1.26 -3.67 118.95 115.22 2fwu s ARG 532 Ca 0.43 -2.55 0.00 0.00 -1.72 0.00 0.00 55.73 51.89 2fwu s ARG 532 Cb 0.21 -3.47 0.00 0.00 -0.45 0.00 0.00 34.95 31.24 2fwu s ARG 532 CO -0.07 -1.13 0.00 0.41 -0.68 0.00 0.00 175.30 173.84 2fwu n GLY 533 N 3.31 0.38 3.05 -3.53 0.00 -1.26 -4.96 105.19 102.18 2fwu n GLY 533 Ca 0.06 -1.14 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.24 -0.04 1.61 3.04 -1.26 -1.96 114.94 112.09 2fwu s ASN 534 Ca 0.00 0.49 0.02 0.00 0.04 0.00 0.00 52.86 53.41 2fwu s ASN 534 Cb 0.00 0.39 0.01 0.00 -1.54 0.00 0.00 41.25 40.11 2fwu s ASN 534 CO 0.00 -0.15 -0.10 -0.69 -3.04 0.00 0.00 177.10 173.12 2fwu s VAL 535 N 1.10 0.90 -0.16 -5.21 1.01 0.13 -0.63 120.40 117.53 2fwu s VAL 535 Ca -0.08 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 2fwu s VAL 535 Cb -0.09 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 2fwu s VAL 535 CO -0.07 0.29 0.03 -0.63 0.00 0.00 0.00 175.10 174.72 2fwu s ILE 536 N 0.47 4.52 -0.34 2.22 -1.09 -0.04 -0.52 121.20 126.43 2fwu s ILE 536 Ca -0.09 -0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.22 2fwu s ILE 536 Cb -0.12 -3.01 0.09 0.00 -1.58 0.00 0.00 42.46 37.84 2fwu s ILE 536 CO 0.02 0.49 0.05 -0.69 -1.23 0.00 0.00 174.94 173.58 2fwu s VAL 537 N 0.22 2.53 0.25 2.92 1.01 0.72 -0.40 120.40 127.65 2fwu s VAL 537 Ca 0.02 -2.10 -0.30 0.00 0.00 0.00 0.00 61.98 59.61 2fwu s VAL 537 Cb -0.13 -2.75 -0.09 0.00 0.00 0.00 0.00 36.38 33.41 2fwu s VAL 537 CO 0.01 -0.49 1.13 -2.16 0.00 0.00 0.00 175.10 173.59 2fwu s PRO 538 N 1.01 4.59 0.07 2.72 0.04 -1.26 0.07 135.00 142.25 2fwu s PRO 538 Ca 0.06 1.83 -0.04 0.00 0.04 0.00 0.00 61.00 62.89 2fwu s PRO 538 Cb -0.20 -3.20 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 2fwu s PRO 538 CO -0.06 0.12 0.06 1.52 0.04 0.00 0.00 177.00 178.69 2fwu s TYR 539 N -0.86 0.41 0.13 0.56 1.13 0.62 0.13 117.35 119.48 2fwu s TYR 539 Ca 0.47 -0.90 -0.17 0.00 -1.41 0.00 0.00 57.07 55.05 2fwu s TYR 539 Cb -0.32 -0.27 0.04 0.00 -1.10 0.00 0.00 41.96 40.31 2fwu s TYR 539 CO 0.40 -0.46 0.43 -1.59 -2.51 0.00 0.00 175.55 171.82 2fwu s LYS 540 N -3.91 1.10 -0.20 -3.49 0.00 -0.29 -0.79 119.74 112.17 2fwu s LYS 540 Ca 0.08 -0.67 -0.14 0.00 0.00 0.00 0.00 55.97 55.24 2fwu s LYS 540 Cb 0.07 0.49 -0.04 0.00 0.00 0.00 0.00 37.83 38.34 2fwu s LYS 540 CO -0.09 -0.44 0.29 0.95 0.00 0.00 0.00 175.35 176.06 2fwu s THR 541 N -3.80 5.29 -0.41 3.79 -4.23 -0.49 -1.48 115.64 114.32 2fwu s THR 541 Ca 0.03 0.50 -0.19 0.00 -1.18 0.00 0.00 61.69 60.84 2fwu s THR 541 Cb 0.01 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 70.24 2fwu s THR 541 CO -0.12 0.33 0.55 -0.63 -0.54 0.00 0.00 174.62 174.21 2fwu s ILE 542 N 0.92 4.96 0.14 2.99 1.09 0.15 -4.82 121.20 126.63 2fwu s ILE 542 Ca 0.15 0.06 -0.23 0.00 -1.10 0.00 0.00 60.65 59.52 2fwu s ILE 542 Cb -0.14 -4.09 0.01 0.00 -1.06 0.00 0.00 42.46 37.19 2fwu s ILE 542 CO 0.05 -0.43 1.63 -0.33 -0.10 0.00 0.00 174.94 175.76 2fwu h GLU 543 N 8.71 -0.26 0.00 2.79 3.07 -1.85 -0.03 114.58 127.00 2fwu h GLU 543 Ca -0.26 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 2fwu h GLU 543 Cb 1.11 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 2fwu h GLU 543 CO 0.83 -0.17 0.00 0.41 -1.40 0.00 0.00 179.01 178.68 2fwu n GLY 544 N -1.37 1.10 0.34 -3.84 0.00 -1.26 -0.93 105.19 99.23 2fwu n GLY 544 Ca -0.02 0.33 0.05 0.00 0.00 0.00 0.00 46.02 46.38 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 -2.67 2.61 5.66 -1.19 -4.97 114.28 113.72 2fwu n THR 545 Ca 0.00 -0.46 -0.21 0.00 -3.05 0.00 0.00 64.05 60.33 2fwu n THR 545 Cb 0.00 1.18 0.04 0.00 -1.55 0.00 0.00 70.33 70.00 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 -1.06 3.95 -0.12 1.79 0.00 -0.11 -4.75 121.76 121.46 2fwu s ALA 546 Ca 0.11 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2fwu s ALA 546 Cb 0.08 -2.02 0.02 0.00 0.00 0.00 0.00 23.12 21.21 2fwu s ALA 546 CO 0.18 -0.80 -0.12 0.50 0.00 0.00 0.00 175.76 175.52 2fwu s ARG 547 N -4.77 1.97 0.00 0.00 3.00 -1.26 -4.75 118.95 113.14 2fwu s ARG 547 Ca 0.58 -0.44 0.00 0.00 -1.00 0.00 0.00 55.73 54.87 2fwu s ARG 547 Cb -0.10 -1.84 0.00 0.00 0.00 0.00 0.00 34.95 33.01 2fwu s ARG 547 CO 0.39 -0.20 0.00 0.41 0.00 0.00 0.00 175.30 175.90 2fwu n GLY 548 N 4.68 -0.99 2.09 8.12 0.00 -1.26 -0.91 105.19 116.92 2fwu n GLY 548 Ca -0.16 -1.64 -0.02 0.00 0.00 0.00 0.00 46.02 44.21 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 4.88 0.52 2.30 -0.02 0.00 -1.25 -2.80 105.19 108.82 2fwu n GLY 549 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.62 0.01 0.05 -0.02 0.00 -0.69 -4.95 105.19 96.97 2fwu n GLY 550 Ca -0.02 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.23 0.27 -0.10 1.61 4.07 -1.12 -4.77 120.64 118.36 2fwu n GLU 551 Ca -0.09 0.21 -0.13 0.00 -0.06 0.00 0.00 57.16 57.09 2fwu n GLU 551 Cb 0.58 -1.09 -0.12 0.00 -0.06 0.00 0.00 31.44 30.75 2fwu n GLU 551 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2fwu n ASP 552 N -3.55 1.70 -3.95 4.31 -0.08 -0.09 -4.63 116.55 110.26 2fwu n ASP 552 Ca -0.06 -0.08 -0.09 0.00 -1.51 0.00 0.00 54.79 53.04 2fwu n ASP 552 Cb 0.24 0.08 -0.07 0.00 2.34 0.00 0.00 41.12 43.70 2fwu n ASP 552 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 2fwu s PHE 553 N -2.44 0.37 -0.52 -0.67 -0.71 -0.74 -1.99 117.98 111.27 2fwu s PHE 553 Ca -0.23 -0.76 -0.21 0.00 -1.04 0.00 0.00 56.93 54.69 2fwu s PHE 553 Cb 0.07 -0.10 0.05 0.00 -1.21 0.00 0.00 43.02 41.83 2fwu s PHE 553 CO 0.59 -0.65 0.73 -2.00 -1.34 0.00 0.00 175.22 172.55 2fwu s GLU 554 N -3.94 3.18 0.29 1.99 -6.30 0.51 -1.71 118.70 112.72 2fwu s GLU 554 Ca 0.14 -0.71 -0.29 0.00 -2.50 0.00 0.00 54.97 51.61 2fwu s GLU 554 Cb 0.04 -4.09 -0.10 0.00 0.00 0.00 0.00 34.13 29.99 2fwu s GLU 554 CO -0.03 -1.31 1.19 0.16 0.02 0.00 0.00 175.26 175.29 2fwu s ASP 555 N 2.76 7.05 -0.01 -1.70 -4.77 -1.26 -4.17 116.67 114.58 2fwu s ASP 555 Ca 0.20 2.43 0.01 0.00 -3.30 0.00 0.00 52.55 51.89 2fwu s ASP 555 Cb -0.17 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.03 2fwu s ASP 555 CO 0.14 -0.32 -0.02 0.28 0.70 0.00 0.00 175.17 175.95 2fwu s THR 556 N -1.02 0.18 -0.11 2.11 -1.32 -1.26 -4.87 115.64 109.36 2fwu s THR 556 Ca 0.47 -0.07 -0.01 0.00 -1.21 0.00 0.00 61.69 60.88 2fwu s THR 556 Cb -0.35 -0.18 0.03 0.00 -1.51 0.00 0.00 72.50 70.49 2fwu s THR 556 CO 0.45 0.07 -0.05 0.00 -2.21 0.00 0.00 174.62 172.87 2fwu n GLY 558 N 4.99 3.16 2.61 0.00 0.00 0.03 -4.97 105.19 111.01 2fwu n GLY 558 Ca -0.11 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.06 0.19 0.21 1.61 2.02 -1.26 -0.27 118.70 119.14 2fwu s GLU 559 Ca 0.02 -0.29 -0.30 0.00 0.02 0.00 0.00 54.97 54.42 2fwu s GLU 559 Cb -0.00 -1.67 -0.08 0.00 0.10 0.00 0.00 34.13 32.48 2fwu s GLU 559 CO 0.01 -0.78 1.15 -0.51 0.02 0.00 0.00 175.26 175.15 2fwu s LEU 560 N 2.08 4.49 -0.31 1.80 1.43 0.11 -4.78 118.68 123.49 2fwu s LEU 560 Ca 0.04 2.22 -0.09 0.00 -1.03 0.00 0.00 54.13 55.27 2fwu s LEU 560 Cb -0.16 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.45 2fwu s LEU 560 CO -0.18 -0.27 0.14 -0.70 0.23 0.00 0.00 176.35 175.56 2fwu s GLU 561 N -0.66 3.20 0.08 1.70 2.12 -1.26 -0.20 118.70 123.67 2fwu s GLU 561 Ca 0.49 -0.81 0.06 0.00 0.36 0.00 0.00 54.97 55.07 2fwu s GLU 561 Cb -0.32 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.51 2fwu s GLU 561 CO 0.38 -0.46 -0.06 -0.06 -0.54 0.00 0.00 175.26 174.52 2fwu s PHE 562 N 1.57 2.85 0.33 5.30 0.40 0.32 -4.99 117.98 123.76 2fwu s PHE 562 Ca 0.04 -0.09 -0.12 0.00 -0.60 0.00 0.00 56.93 56.16 2fwu s PHE 562 Cb -0.17 -1.50 0.05 0.00 0.51 0.00 0.00 43.02 41.90 2fwu s PHE 562 CO 0.05 0.43 0.64 0.00 0.70 0.00 0.00 175.22 177.05 2fwu n GLN 563 N 0.84 0.92 0.17 0.44 10.64 -1.26 0.18 117.38 129.31 2fwu n GLN 563 Ca -0.13 -1.86 0.01 0.00 -1.83 0.00 0.00 57.00 53.19 2fwu n GLN 563 Cb 0.52 2.29 0.30 0.00 -0.86 0.00 0.00 30.24 32.49 2fwu n GLN 563 CO 0.00 0.00 0.00 -0.97 -1.83 0.00 0.00 177.06 174.26 2fwu h ASN 564 N 1.63 0.00 0.08 2.61 -1.24 -1.46 -1.79 115.58 115.41 2fwu h ASN 564 Ca -0.28 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.73 2fwu h ASN 564 Cb 1.02 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.07 2fwu h ASN 564 CO 0.35 0.45 -0.01 -0.67 -1.29 0.00 0.00 177.43 176.26 2fwu n ASP 565 N -4.00 0.38 -4.32 1.15 2.03 -1.26 -4.81 116.55 105.73 2fwu n ASP 565 Ca -0.02 -1.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.00 2fwu n ASP 565 Cb 0.48 -0.03 -0.15 0.00 -0.72 0.00 0.00 41.12 40.70 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 -2.10 1.85 0.06 -0.67 2.56 -0.67 -5.12 118.70 114.61 2fwu s GLU 566 Ca 0.42 -1.01 0.04 0.00 0.00 0.00 0.00 54.97 54.42 2fwu s GLU 566 Cb 0.21 -1.93 -0.03 0.00 2.00 0.00 0.00 34.13 34.39 2fwu s GLU 566 CO 0.38 0.51 -0.11 0.96 -0.56 0.00 0.00 175.26 176.45 2fwu s ILE 567 N -0.72 0.81 0.13 -3.70 -4.36 -1.26 -4.44 121.20 107.66 2fwu s ILE 567 Ca 0.10 -1.25 0.00 0.00 -0.26 0.00 0.00 60.65 59.25 2fwu s ILE 567 Cb -0.10 -0.89 0.00 0.00 1.25 0.00 0.00 42.46 42.72 2fwu s ILE 567 CO 0.01 -0.35 0.00 0.55 0.24 0.00 0.00 174.94 175.39 2fwu n VAL 568 N 1.26 0.00 -3.61 8.37 3.14 -1.26 -5.03 118.33 121.20 2fwu n VAL 568 Ca -0.21 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.14 2fwu n VAL 568 Cb 0.55 -0.19 -0.01 0.00 -1.06 0.00 0.00 33.84 33.13 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 -1.24 0.46 0.02 1.45 2.47 -1.23 -4.90 119.74 116.77 2fwu s LYS 569 Ca 0.00 -0.21 0.06 0.00 -1.56 0.00 0.00 55.97 54.25 2fwu s LYS 569 Cb 0.00 0.18 -0.02 0.00 -1.46 0.00 0.00 37.83 36.53 2fwu s LYS 569 CO 0.00 -0.21 -0.17 0.95 0.16 0.00 0.00 175.35 176.08 2fwu s THR 570 N -2.55 1.37 -0.22 3.43 -4.23 -1.25 -1.78 115.64 110.41 2fwu s THR 570 Ca 0.11 -0.93 -0.18 0.00 -1.18 0.00 0.00 61.69 59.51 2fwu s THR 570 Cb 0.01 -1.18 -0.03 0.00 1.34 0.00 0.00 72.50 72.64 2fwu s THR 570 CO -0.04 0.23 0.52 -0.63 -0.54 0.00 0.00 174.62 174.17 2fwu s ILE 571 N -0.62 5.09 -0.42 2.99 1.09 -1.04 -4.86 121.20 123.42 2fwu s ILE 571 Ca 0.06 0.94 -0.17 0.00 -1.10 0.00 0.00 60.65 60.38 2fwu s ILE 571 Cb -0.07 -3.84 0.02 0.00 -1.06 0.00 0.00 42.46 37.51 2fwu s ILE 571 CO 0.01 0.14 0.42 -0.44 -0.10 0.00 0.00 174.94 174.96 2fwu s SER 572 N 1.31 6.18 -0.09 3.58 0.01 -1.26 -3.41 113.70 120.02 2fwu s SER 572 Ca 0.23 -0.72 0.04 0.00 1.31 0.00 0.00 55.95 56.81 2fwu s SER 572 Cb -0.15 -2.21 -0.00 0.00 0.21 0.00 0.00 66.02 63.86 2fwu s SER 572 CO 0.09 -0.57 -0.23 -0.69 0.41 0.00 0.00 173.24 172.26 2fwu s VAL 573 N 2.07 1.96 -0.08 3.43 1.01 -0.73 -4.95 120.40 123.10 2fwu s VAL 573 Ca 0.11 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 2fwu s VAL 573 Cb -0.17 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 2fwu s VAL 573 CO 0.13 0.54 0.49 -0.75 0.00 0.00 0.00 175.10 175.51 2fwu s LYS 574 N 0.29 4.28 -0.10 2.72 2.20 -1.26 -0.67 119.74 127.21 2fwu s LYS 574 Ca -0.16 0.51 -0.10 0.00 -0.36 0.00 0.00 55.97 55.85 2fwu s LYS 574 Cb -0.17 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.71 2fwu s LYS 574 CO 0.08 0.27 0.23 0.08 -0.36 0.00 0.00 175.35 175.64 2fwu s VAL 575 N 0.25 5.34 0.25 4.02 1.01 -0.53 -0.37 120.40 130.38 2fwu s VAL 575 Ca 0.27 0.43 0.06 0.00 0.00 0.00 0.00 61.98 62.74 2fwu s VAL 575 Cb -0.16 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2fwu s VAL 575 CO 0.12 0.57 0.28 -0.63 0.00 0.00 0.00 175.10 175.44 2fwu s ILE 576 N -0.75 4.73 0.18 2.22 -1.09 -0.84 -4.83 121.20 120.82 2fwu s ILE 576 Ca 0.17 -1.21 -0.30 0.00 -2.23 0.00 0.00 60.65 57.08 2fwu s ILE 576 Cb -0.13 -3.59 -0.08 0.00 -1.58 0.00 0.00 42.46 37.07 2fwu s ILE 576 CO 0.06 -0.32 1.31 -1.81 -1.23 0.00 0.00 174.94 172.94 2fwu s ASP 577 N -3.92 6.91 0.29 3.58 1.11 -1.26 -4.74 116.67 118.64 2fwu s ASP 577 Ca 0.34 2.36 -0.29 0.00 0.18 0.00 0.00 52.55 55.14 2fwu s ASP 577 Cb -0.08 -2.61 -0.10 0.00 1.07 0.00 0.00 42.92 41.20 2fwu s ASP 577 CO 0.27 -0.53 1.36 -0.62 1.18 0.00 0.00 175.17 176.83 2fwu s ASP 578 N 0.45 6.72 -0.03 0.27 -1.08 -1.26 -4.78 116.67 116.97 2fwu s ASP 578 Ca 0.57 2.67 0.01 0.00 -0.52 0.00 0.00 52.55 55.29 2fwu s ASP 578 Cb -0.36 -2.64 -0.02 0.00 -1.46 0.00 0.00 42.92 38.44 2fwu s ASP 578 CO 0.37 -0.60 -0.01 -1.84 0.52 0.00 0.00 175.17 173.60 2fwu n GLU 579 N 1.45 1.53 -0.07 4.34 -0.00 -1.26 -4.94 120.64 121.70 2fwu n GLU 579 Ca 0.03 0.01 -0.06 0.00 -0.00 0.00 0.00 57.16 57.14 2fwu n GLU 579 Cb 0.41 -1.06 -0.02 0.00 -0.00 0.00 0.00 31.44 30.77 2fwu n GLU 579 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 2fwu n GLU 580 N -2.38 0.46 -3.52 3.44 0.00 -1.26 -5.05 120.64 112.33 2fwu n GLU 580 Ca -0.05 0.41 -0.13 0.00 0.00 0.00 0.00 57.16 57.40 2fwu n GLU 580 Cb 0.56 -1.57 -0.04 0.00 0.00 0.00 0.00 31.44 30.39 2fwu n GLU 580 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.13 178.65 2fwu s TYR 581 N -2.42 -0.48 0.13 -1.84 -0.85 -1.26 -5.16 117.35 105.47 2fwu s TYR 581 Ca -0.19 0.63 -0.16 0.00 -0.52 0.00 0.00 57.07 56.84 2fwu s TYR 581 Cb 0.03 0.48 -0.07 0.00 0.38 0.00 0.00 41.96 42.77 2fwu s TYR 581 CO 0.28 -0.55 0.56 -1.21 -1.52 0.00 0.00 175.55 173.11 2fwu s GLU 582 N -2.03 4.04 0.08 -3.49 0.41 -1.26 -5.05 118.70 111.40 2fwu s GLU 582 Ca -0.03 0.56 -0.27 0.00 -0.41 0.00 0.00 54.97 54.82 2fwu s GLU 582 Cb -0.01 -3.00 0.09 0.00 -1.78 0.00 0.00 34.13 29.44 2fwu s GLU 582 CO -0.01 0.51 1.07 -1.59 -0.49 0.00 0.00 175.26 174.75 2fwu s LYS 583 N -1.77 0.89 -1.24 1.61 -2.85 -1.26 -5.05 119.74 110.07 2fwu s LYS 583 Ca 0.36 -0.48 -0.14 0.00 -1.00 0.00 0.00 55.97 54.72 2fwu s LYS 583 Cb -0.16 0.31 0.16 0.00 -2.06 0.00 0.00 37.83 36.08 2fwu s LYS 583 CO 0.19 -0.40 1.55 0.09 0.10 0.00 0.00 175.35 176.87 2fwu n ASN 584 N -0.45 5.15 -4.87 0.03 5.03 -1.26 -4.57 115.26 114.32 2fwu n ASN 584 Ca -0.07 -2.99 -0.30 0.00 0.87 0.00 0.00 54.58 52.10 2fwu n ASN 584 Cb 0.61 -1.58 0.07 0.00 -1.02 0.00 0.00 39.78 37.87 2fwu n ASN 584 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 2fwu s LYS 585 N 1.72 2.36 -0.12 3.52 0.00 -1.21 -4.75 119.74 121.25 2fwu s LYS 585 Ca 0.44 0.36 -0.19 0.00 0.00 0.00 0.00 55.97 56.57 2fwu s LYS 585 Cb -0.00 -1.97 0.05 0.00 0.00 0.00 0.00 37.83 35.90 2fwu s LYS 585 CO 0.01 -1.37 0.49 -0.08 0.00 0.00 0.00 175.35 174.40 2fwu s THR 586 N -3.40 0.01 0.08 3.79 -1.32 -1.26 -0.96 115.64 112.58 2fwu s THR 586 Ca 0.60 -0.12 0.07 0.00 -1.21 0.00 0.00 61.69 61.04 2fwu s THR 586 Cb -0.12 -0.74 -0.03 0.00 -1.51 0.00 0.00 72.50 70.10 2fwu s THR 586 CO 0.51 -0.06 -0.20 0.72 -2.21 0.00 0.00 174.62 173.38 2fwu s PHE 587 N -0.40 1.68 -0.17 9.09 -0.12 -0.89 -3.17 117.98 124.00 2fwu s PHE 587 Ca -0.05 -0.41 -0.06 0.00 -0.05 0.00 0.00 56.93 56.35 2fwu s PHE 587 Cb -0.03 -0.95 -0.04 0.00 -0.63 0.00 0.00 43.02 41.37 2fwu s PHE 587 CO 0.03 0.15 0.04 -0.06 -0.05 0.00 0.00 175.22 175.34 2fwu s PHE 588 N -1.07 3.22 -0.24 3.49 0.08 -0.03 -0.96 117.98 122.47 2fwu s PHE 588 Ca 0.05 0.03 -0.11 0.00 0.12 0.00 0.00 56.93 57.03 2fwu s PHE 588 Cb -0.10 -2.03 -0.05 0.00 -0.57 0.00 0.00 43.02 40.27 2fwu s PHE 588 CO 0.03 0.16 0.17 -1.17 -0.10 0.00 0.00 175.22 174.31 2fwu s LEU 589 N 0.23 4.12 -0.07 -0.37 1.98 0.96 0.32 118.68 125.84 2fwu s LEU 589 Ca 0.03 0.12 0.04 0.00 -2.89 0.00 0.00 54.13 51.43 2fwu s LEU 589 Cb -0.13 -2.12 0.00 0.00 0.66 0.00 0.00 46.19 44.61 2fwu s LEU 589 CO 0.01 0.06 -0.18 -0.70 -1.89 0.00 0.00 176.35 173.64 2fwu s GLU 590 N 1.07 2.21 -0.04 1.98 2.12 -0.55 -1.64 118.70 123.85 2fwu s GLU 590 Ca 0.08 -0.66 -0.03 0.00 0.36 0.00 0.00 54.97 54.71 2fwu s GLU 590 Cb -0.14 -1.79 -0.04 0.00 0.26 0.00 0.00 34.13 32.43 2fwu s GLU 590 CO 0.05 0.17 0.14 0.96 -0.54 0.00 0.00 175.26 176.04 2fwu s ILE 591 N 0.30 5.24 0.00 -3.70 -4.36 -1.26 -1.14 121.20 116.28 2fwu s ILE 591 Ca -0.12 -0.11 0.00 0.00 -0.26 0.00 0.00 60.65 60.16 2fwu s ILE 591 Cb -0.15 -3.38 0.00 0.00 1.25 0.00 0.00 42.46 40.18 2fwu s ILE 591 CO 0.05 0.43 0.00 0.61 0.24 0.00 0.00 174.94 176.27 2fwu n GLY 592 N 1.36 1.38 3.70 6.27 0.00 0.12 -4.97 105.19 113.05 2fwu n GLY 592 Ca -0.14 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 1.94 4.48 0.44 1.61 2.12 -1.26 -4.84 118.70 123.18 2fwu s GLU 593 Ca 0.00 1.24 -0.23 0.00 0.36 0.00 0.00 54.97 56.34 2fwu s GLU 593 Cb 0.00 -3.48 -0.08 0.00 0.26 0.00 0.00 34.13 30.83 2fwu s GLU 593 CO 0.00 -0.10 1.13 -1.25 -0.54 0.00 0.00 175.26 174.50 2fwu s PRO 594 N 1.26 3.88 -0.02 4.30 0.04 -1.26 -4.39 135.00 138.81 2fwu s PRO 594 Ca 0.46 1.68 0.05 0.00 0.04 0.00 0.00 61.00 63.23 2fwu s PRO 594 Cb -0.19 -2.44 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 2fwu s PRO 594 CO 0.22 -0.42 -0.17 -0.98 0.04 0.00 0.00 177.00 175.69 2fwu s ARG 595 N -2.65 1.49 -0.04 4.56 1.70 0.46 -4.13 118.95 120.33 2fwu s ARG 595 Ca 0.62 -0.59 -0.28 0.00 -0.47 0.00 0.00 55.73 55.01 2fwu s ARG 595 Cb -0.26 -1.38 -0.03 0.00 -0.57 0.00 0.00 34.95 32.71 2fwu s ARG 595 CO 0.32 0.31 0.91 -1.17 -1.08 0.00 0.00 175.30 174.59 2fwu s LEU 596 N -0.22 4.33 0.27 -1.89 1.98 -1.26 -0.86 118.68 121.04 2fwu s LEU 596 Ca 0.03 1.51 0.13 0.00 -2.89 0.00 0.00 54.13 52.91 2fwu s LEU 596 Cb -0.08 -3.43 0.28 0.00 0.66 0.00 0.00 46.19 43.61 2fwu s LEU 596 CO 0.00 -0.25 1.54 0.58 -1.89 0.00 0.00 176.35 176.33 2fwu h VAL 597 N 4.84 1.20 -3.19 1.68 2.07 -1.25 -3.40 116.25 118.20 2fwu h VAL 597 Ca -0.39 -2.23 -0.61 0.00 0.82 0.00 0.00 66.70 64.29 2fwu h VAL 597 Cb 1.20 2.29 -0.40 0.00 -1.52 0.00 0.00 31.29 32.86 2fwu h VAL 597 CO 0.77 0.59 -0.74 -1.83 0.02 0.00 0.00 177.57 176.37 2fwu s GLU 598 N -3.27 1.09 0.00 1.57 -1.05 -1.26 -4.90 118.70 110.88 2fwu s GLU 598 Ca 0.01 -1.60 0.00 0.00 -0.15 0.00 0.00 54.97 53.23 2fwu s GLU 598 Cb 0.10 -2.36 0.00 0.00 -0.44 0.00 0.00 34.13 31.43 2fwu s GLU 598 CO 0.75 -1.05 0.66 0.00 0.95 0.00 0.00 175.26 176.57 2fwu n MET 599 N 4.21 1.15 -3.35 -4.83 0.00 -1.26 -4.95 117.12 108.09 2fwu n MET 599 Ca 0.03 -0.88 -0.38 0.00 0.00 0.00 0.00 57.70 56.47 2fwu n MET 599 Cb 0.39 -0.79 -0.06 0.00 0.00 0.00 0.00 33.22 32.76 2fwu n MET 599 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 2fwu s SER 600 N -0.43 6.73 -0.52 3.17 0.01 -1.26 -4.55 113.70 116.84 2fwu s SER 600 Ca 0.00 0.87 -0.13 0.00 1.31 0.00 0.00 55.95 58.00 2fwu s SER 600 Cb 0.00 -2.28 0.02 0.00 0.21 0.00 0.00 66.02 63.96 2fwu s SER 600 CO 0.00 0.08 0.63 -0.62 0.41 0.00 0.00 173.24 173.74 2fwu n GLU 601 N 3.19 -2.05 -2.99 12.44 -0.58 -1.26 -5.06 120.64 124.32 2fwu n GLU 601 Ca -0.09 1.87 -0.18 0.00 -0.42 0.00 0.00 57.16 58.34 2fwu n GLU 601 Cb 0.52 -5.35 0.03 0.00 -0.57 0.00 0.00 31.44 26.07 2fwu n GLU 601 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2fwu s LYS 602 N -2.77 2.58 -0.56 3.49 -2.85 -1.26 -5.05 119.74 113.32 2fwu s LYS 602 Ca 0.19 -1.38 -0.20 0.00 -1.00 0.00 0.00 55.97 53.58 2fwu s LYS 602 Cb -0.05 -2.69 0.07 0.00 -2.06 0.00 0.00 37.83 33.10 2fwu s LYS 602 CO 0.78 -0.55 0.75 -1.59 0.10 0.00 0.00 175.35 174.84 2fwu s LYS 603 N -4.51 3.14 0.00 1.78 -2.85 -1.26 -4.87 119.74 111.17 2fwu s LYS 603 Ca 0.58 -0.88 0.00 0.00 -1.00 0.00 0.00 55.97 54.67 2fwu s LYS 603 Cb -0.08 -4.15 0.00 0.00 -2.06 0.00 0.00 37.83 31.54 2fwu s LYS 603 CO 0.36 -1.44 0.00 0.41 0.10 0.00 0.00 175.35 174.78 2fwu n GLY 604 N 5.21 4.45 2.66 0.59 0.00 -1.26 -5.10 105.19 111.74 2fwu n GLY 604 Ca -0.05 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 0.18 0.47 -0.02 0.00 -1.26 -5.09 107.32 101.60 2fwu s GLY 605 Ca 0.00 -0.78 0.08 0.00 0.00 0.00 0.00 44.72 44.02 2fwu s GLY 605 CO 0.00 2.40 0.50 -1.36 0.00 0.00 0.00 173.10 174.65 2fwu s PHE 606 N 2.08 2.25 -0.36 1.90 0.40 -1.26 -5.04 117.98 117.95 2fwu s PHE 606 Ca 0.11 -0.59 -0.29 0.00 -0.60 0.00 0.00 56.93 55.56 2fwu s PHE 606 Cb -0.16 -2.17 -0.00 0.00 0.51 0.00 0.00 43.02 41.20 2fwu s PHE 606 CO -0.29 -0.46 1.53 0.95 0.70 0.00 0.00 175.22 177.66 2fwu s THR 607 N -2.55 3.78 0.75 0.64 -4.23 -1.26 -4.99 115.64 107.78 2fwu s THR 607 Ca 0.50 0.81 -0.12 0.00 -1.18 0.00 0.00 61.69 61.70 2fwu s THR 607 Cb -0.05 -3.99 0.04 0.00 1.34 0.00 0.00 72.50 69.84 2fwu s THR 607 CO 0.30 -0.59 1.13 -0.63 -0.54 0.00 0.00 174.62 174.29 2fwu s ILE 608 N 5.72 2.87 -1.99 2.99 1.01 -1.26 -4.06 121.20 126.48 2fwu s ILE 608 Ca 0.67 0.28 0.15 0.00 0.00 0.00 0.00 60.65 61.75 2fwu s ILE 608 Cb -0.18 -3.28 0.43 0.00 0.01 0.00 0.00 42.46 39.45 2fwu s ILE 608 CO 0.32 -0.37 1.36 1.07 0.00 0.00 0.00 174.94 177.32 2fwu n THR 609 N -3.13 0.66 -0.40 2.92 5.66 -1.25 -4.91 114.28 113.83 2fwu n THR 609 Ca 0.07 -0.65 0.00 0.00 -3.05 0.00 0.00 64.05 60.42 2fwu n THR 609 Cb 0.59 0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.69 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 0.93 0.00 -2.34 1.09 1.02 -1.26 -4.89 120.64 115.19 2fwu n GLU 610 Ca 0.16 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.95 2fwu n GLU 610 Cb 0.41 -4.39 -0.04 0.00 -0.02 0.00 0.00 31.44 27.41 2fwu n GLU 610 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2fwu s GLU 611 N -0.80 3.15 -0.20 3.49 0.41 -1.26 -4.94 118.70 118.56 2fwu s GLU 611 Ca 0.00 -0.74 -0.09 0.00 -0.41 0.00 0.00 54.97 53.72 2fwu s GLU 611 Cb 0.00 -5.21 -0.05 0.00 -1.78 0.00 0.00 34.13 27.10 2fwu s GLU 611 CO 0.00 -2.69 0.11 -0.47 -0.49 0.00 0.00 175.26 171.72 2fwu s TYR 612 N 7.12 3.36 0.00 1.61 5.04 -1.26 -4.65 117.35 128.57 2fwu s TYR 612 Ca 0.56 0.25 0.00 0.00 -2.44 0.00 0.00 57.07 55.44 2fwu s TYR 612 Cb -0.03 -2.14 0.00 0.00 0.35 0.00 0.00 41.96 40.14 2fwu s TYR 612 CO -0.05 0.25 0.00 -3.47 -1.34 0.00 0.00 175.55 170.93 2fwu n ASP 613 N 3.53 0.00 -4.51 4.32 -0.08 -1.26 -4.91 116.55 113.65 2fwu n ASP 613 Ca -0.16 0.00 -0.57 0.00 -1.51 0.00 0.00 54.79 52.55 2fwu n ASP 613 Cb 0.52 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.89 2fwu n ASP 613 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2fwu n ASP 614 N 2.60 1.74 -4.49 1.67 2.03 -1.26 -4.88 116.55 113.96 2fwu n ASP 614 Ca 0.00 0.77 -0.42 0.00 0.52 0.00 0.00 54.79 55.66 2fwu n ASP 614 Cb 0.00 -1.08 -0.03 0.00 -0.72 0.00 0.00 41.12 39.28 2fwu n ASP 614 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2fwu s LYS 615 N 5.00 3.24 0.38 -0.67 -2.85 -1.26 -5.01 119.74 118.57 2fwu s LYS 615 Ca 1.09 -0.81 0.08 0.00 -1.00 0.00 0.00 55.97 55.33 2fwu s LYS 615 Cb -1.17 -4.41 -0.02 0.00 -2.06 0.00 0.00 37.83 30.17 2fwu s LYS 615 CO 0.62 -1.95 0.39 -0.65 0.10 0.00 0.00 175.35 173.87 2fwu s GLN 616 N 4.47 2.71 1.12 1.78 -0.21 -1.26 -5.05 119.66 123.21 2fwu s GLN 616 Ca 0.29 -1.35 -0.15 0.00 0.02 0.00 0.00 55.36 54.18 2fwu s GLN 616 Cb -0.11 -2.52 0.25 0.00 1.00 0.00 0.00 33.01 31.63 2fwu s GLN 616 CO 0.07 -0.08 1.07 -2.14 -2.12 0.00 0.00 175.29 172.09 2fwu s PRO 617 N -4.12 -0.52 -0.51 2.91 0.02 -1.26 -4.49 135.00 127.03 2fwu s PRO 617 Ca 0.46 0.40 -0.27 0.00 0.02 0.00 0.00 61.00 61.61 2fwu s PRO 617 Cb -0.06 -1.64 -0.01 0.00 0.02 0.00 0.00 34.50 32.81 2fwu s PRO 617 CO 0.29 -3.35 1.74 -0.51 -0.33 0.00 0.00 177.00 174.84 2fwu s LEU 618 N -6.84 3.39 0.00 -5.54 2.01 -1.26 -4.80 118.68 105.65 2fwu s LEU 618 Ca 0.67 0.65 0.15 0.00 0.01 0.00 0.00 54.13 55.61 2fwu s LEU 618 Cb -0.18 -2.97 0.33 0.00 0.01 0.00 0.00 46.19 43.37 2fwu s LEU 618 CO 0.59 -2.01 1.23 0.35 1.01 0.00 0.00 176.35 177.53 2fwu n THR 619 N 7.20 0.66 -2.70 5.49 -2.24 -1.26 -4.93 114.28 116.50 2fwu n THR 619 Ca 0.20 -0.83 -0.43 0.00 -2.27 0.00 0.00 64.05 60.72 2fwu n THR 619 Cb 0.50 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.48 2fwu n THR 619 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2fwu s SER 620 N -1.10 6.50 0.19 3.42 1.04 -1.26 -4.67 113.70 117.82 2fwu s SER 620 Ca 0.28 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2fwu s SER 620 Cb 0.16 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.77 2fwu s SER 620 CO 0.21 -1.24 0.00 1.17 0.98 0.00 0.00 173.24 174.36 2fwu n LYS 621 N 7.71 0.00 -0.04 4.02 4.81 -1.26 -4.99 118.16 128.42 2fwu n LYS 621 Ca 0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.47 2fwu n LYS 621 Cb 0.49 -0.06 -0.04 0.00 0.02 0.00 0.00 35.03 35.44 2fwu n LYS 621 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2fwu n GLU 622 N -3.21 1.52 -1.96 1.64 -0.58 -1.26 -4.98 120.64 111.80 2fwu n GLU 622 Ca 0.00 0.02 -0.42 0.00 -0.42 0.00 0.00 57.16 56.34 2fwu n GLU 622 Cb 0.00 -1.16 -0.03 0.00 -0.57 0.00 0.00 31.44 29.68 2fwu n GLU 622 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2fwu s GLU 623 N -2.16 4.21 0.05 3.49 2.56 -1.26 -4.88 118.70 120.72 2fwu s GLU 623 Ca -0.07 2.29 0.19 0.00 0.00 0.00 0.00 54.97 57.38 2fwu s GLU 623 Cb 0.02 -3.50 -0.15 0.00 2.00 0.00 0.00 34.13 32.51 2fwu s GLU 623 CO 0.22 -0.68 0.75 -1.91 -0.56 0.00 0.00 175.26 173.08 2fwu n GLU 624 N 5.21 0.63 -0.23 4.30 2.13 -1.26 -3.62 120.64 127.80 2fwu n GLU 624 Ca 0.15 0.13 -0.02 0.00 0.66 0.00 0.00 57.16 58.09 2fwu n GLU 624 Cb 0.40 -1.75 0.10 0.00 0.27 0.00 0.00 31.44 30.46 2fwu n GLU 624 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2fwu h GLU 625 N 0.00 0.66 -0.18 5.31 4.81 -1.91 0.23 114.58 123.50 2fwu h GLU 625 Ca -0.15 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 2fwu h GLU 625 Cb 1.47 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2fwu h GLU 625 CO 0.03 0.43 0.11 -0.09 -0.73 0.00 0.00 179.01 178.77 2fwu h ARG 626 N 0.68 0.23 -0.32 1.92 9.65 -1.91 -2.09 114.38 122.53 2fwu h ARG 626 Ca 0.30 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 59.11 2fwu h ARG 626 Cb 0.18 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.70 2fwu h ARG 626 CO -0.18 0.15 -0.03 0.00 2.80 0.00 0.00 179.97 182.71 2fwu h ARG 627 N 0.23 0.51 -0.38 0.20 3.08 -1.18 -0.98 114.38 115.86 2fwu h ARG 627 Ca 0.07 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 2fwu h ARG 627 Cb -0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 2fwu h ARG 627 CO -0.02 0.56 -0.34 0.82 -1.07 0.00 0.00 179.97 179.92 2fwu h ILE 628 N 0.49 1.28 0.00 2.04 2.04 -0.49 -2.22 117.51 120.65 2fwu h ILE 628 Ca 0.10 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.45 2fwu h ILE 628 Cb 0.37 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2fwu h ILE 628 CO 0.01 0.50 0.00 0.00 0.00 0.00 0.00 178.15 178.67 2fwu h ALA 629 N 0.88 1.00 -0.08 1.87 0.00 -0.58 -1.90 119.26 120.45 2fwu h ALA 629 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2fwu h ALA 629 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2fwu h ALA 629 CO 0.08 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.72 2fwu n GLU 630 N -2.83 1.19 0.16 0.00 1.02 -0.47 -0.95 120.64 118.75 2fwu n GLU 630 Ca 0.01 -0.29 0.07 0.00 -0.02 0.00 0.00 57.16 56.93 2fwu n GLU 630 Cb 0.25 -1.07 0.07 0.00 -0.02 0.00 0.00 31.44 30.67 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 0.48 0.00 0.00 3.49 -0.00 -1.39 -1.08 114.93 116.44 2fwu h MET 631 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 59.70 59.30 2fwu h MET 631 Cb 0.11 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 31.64 2fwu h MET 631 CO 0.00 0.21 -2.44 0.41 -0.00 0.00 0.00 176.91 175.09 2fwu n GLY 632 N 1.18 -0.38 3.64 -3.00 0.00 -0.50 -4.23 105.19 101.91 2fwu n GLY 632 Ca 0.01 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.49 4.17 0.50 1.61 0.52 -0.12 -4.75 118.95 118.39 2fwu s ARG 633 Ca -0.35 0.75 -0.22 0.00 -0.52 0.00 0.00 55.73 55.40 2fwu s ARG 633 Cb 0.11 -3.63 -0.06 0.00 0.52 0.00 0.00 34.95 31.88 2fwu s ARG 633 CO 0.53 -0.41 1.18 -1.25 0.02 0.00 0.00 175.30 175.37 2fwu s PRO 634 N 2.50 3.54 0.20 3.54 0.04 -1.26 -4.36 135.00 139.20 2fwu s PRO 634 Ca 0.31 1.79 0.03 0.00 0.04 0.00 0.00 61.00 63.17 2fwu s PRO 634 Cb -0.16 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 2fwu s PRO 634 CO 0.09 -0.74 0.11 0.44 0.04 0.00 0.00 177.00 176.94 2fwu n ILE 635 N -0.81 0.00 -2.24 0.56 -6.64 0.32 -4.10 119.36 106.45 2fwu n ILE 635 Ca 0.09 -1.26 -0.32 0.00 -1.77 0.00 0.00 62.75 59.48 2fwu n ILE 635 Cb 0.48 0.54 -0.02 0.00 -1.44 0.00 0.00 39.64 39.21 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 3.56 0.00 7.28 -0.00 -1.26 -1.31 118.68 126.95 2fwu s LEU 636 Ca 0.16 1.65 0.00 0.00 -0.00 0.00 0.00 54.13 55.93 2fwu s LEU 636 Cb 0.01 -4.51 0.00 0.00 -0.00 0.00 0.00 46.19 41.68 2fwu s LEU 636 CO 0.11 -0.80 0.00 0.61 -0.00 0.00 0.00 176.35 176.27 2fwu n GLY 637 N -1.44 0.43 0.03 -3.48 0.00 0.11 -4.49 105.19 96.35 2fwu n GLY 637 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 -3.77 1.61 4.57 -1.94 -3.48 114.58 111.57 2fwu h GLU 638 Ca 0.00 0.00 -0.48 0.00 -1.18 0.00 0.00 59.36 57.70 2fwu h GLU 638 Cb 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 28.75 28.21 2fwu h GLU 638 CO 0.00 0.00 -0.77 -3.38 -1.18 0.00 0.00 179.01 173.68 2fwu s HIS 639 N -1.55 0.99 -0.74 0.92 -3.43 -1.26 -5.05 115.29 105.17 2fwu s HIS 639 Ca -0.06 -0.54 -0.10 0.00 -0.80 0.00 0.00 55.06 53.55 2fwu s HIS 639 Cb 0.01 -0.98 0.19 0.00 -1.43 0.00 0.00 32.58 30.37 2fwu s HIS 639 CO 0.09 -0.47 0.63 0.95 -2.00 0.00 0.00 174.74 173.95 2fwu s THR 640 N 1.87 4.92 -0.29 -5.38 -4.23 -1.26 -2.15 115.64 109.11 2fwu s THR 640 Ca 0.03 -2.58 -0.21 0.00 -1.18 0.00 0.00 61.69 57.75 2fwu s THR 640 Cb -0.14 -4.09 0.18 0.00 1.34 0.00 0.00 72.50 69.79 2fwu s THR 640 CO -0.07 -0.96 1.26 -0.75 -0.54 0.00 0.00 174.62 173.56 2fwu s LYS 641 N 0.17 0.17 -0.18 3.99 2.47 -1.26 -4.76 119.74 120.34 2fwu s LYS 641 Ca 0.17 0.24 -0.04 0.00 -1.56 0.00 0.00 55.97 54.77 2fwu s LYS 641 Cb -0.15 0.06 0.06 0.00 -1.46 0.00 0.00 37.83 36.34 2fwu s LYS 641 CO -0.06 -0.03 0.07 -1.17 0.16 0.00 0.00 175.35 174.32 2fwu s LEU 642 N 0.57 0.61 -0.48 5.43 2.96 -0.65 -4.35 118.68 122.76 2fwu s LEU 642 Ca -0.01 -0.67 -0.20 0.00 -0.22 0.00 0.00 54.13 53.04 2fwu s LEU 642 Cb -0.04 -0.36 0.05 0.00 0.50 0.00 0.00 46.19 46.34 2fwu s LEU 642 CO -0.12 -0.33 0.62 -0.70 -1.32 0.00 0.00 176.35 174.50 2fwu s GLU 643 N 2.05 3.16 -0.49 1.98 2.12 0.11 -0.03 118.70 127.60 2fwu s GLU 643 Ca 0.01 -0.73 -0.17 0.00 0.36 0.00 0.00 54.97 54.43 2fwu s GLU 643 Cb -0.16 -4.05 0.06 0.00 0.26 0.00 0.00 34.13 30.24 2fwu s GLU 643 CO -0.09 -1.15 0.52 0.08 -0.54 0.00 0.00 175.26 174.08 2fwu s VAL 644 N 2.68 5.04 -0.25 3.70 1.01 -0.13 -0.69 120.40 131.75 2fwu s VAL 644 Ca 0.17 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.24 2fwu s VAL 644 Cb -0.18 -4.21 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2fwu s VAL 644 CO 0.14 -0.69 0.55 -0.63 0.00 0.00 0.00 175.10 174.47 2fwu s ILE 645 N 2.19 5.05 -0.43 2.22 1.09 0.31 -2.10 121.20 129.53 2fwu s ILE 645 Ca 0.10 0.96 -0.17 0.00 -1.10 0.00 0.00 60.65 60.44 2fwu s ILE 645 Cb -0.21 -3.86 0.03 0.00 -1.06 0.00 0.00 42.46 37.36 2fwu s ILE 645 CO 0.10 0.08 0.41 -0.63 -0.10 0.00 0.00 174.94 174.80 2fwu s ILE 646 N 2.30 5.13 0.16 2.92 1.09 -0.14 -1.08 121.20 131.58 2fwu s ILE 646 Ca 0.23 -0.51 -0.08 0.00 -1.10 0.00 0.00 60.65 59.19 2fwu s ILE 646 Cb -0.16 -4.04 -0.06 0.00 -1.06 0.00 0.00 42.46 37.15 2fwu s ILE 646 CO 0.09 -0.43 0.45 -1.83 -0.10 0.00 0.00 174.94 173.12 2fwu s GLU 647 N 2.00 3.74 -0.95 2.79 4.04 0.39 -3.33 118.70 127.37 2fwu s GLU 647 Ca 0.10 0.13 -0.19 0.00 0.04 0.00 0.00 54.97 55.05 2fwu s GLU 647 Cb -0.18 -2.82 -0.10 0.00 0.02 0.00 0.00 34.13 31.04 2fwu s GLU 647 CO 0.12 0.44 2.02 0.39 -1.84 0.00 0.00 175.26 176.39 2fwu n GLU 648 N 0.26 1.88 -2.58 -4.83 -0.58 -1.26 -0.62 120.64 112.91 2fwu n GLU 648 Ca -0.03 -2.02 -0.13 0.00 -0.42 0.00 0.00 57.16 54.57 2fwu n GLU 648 Cb 0.52 -2.99 0.01 0.00 -0.57 0.00 0.00 31.44 28.41 2fwu n GLU 648 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2fwu n SER 649 N 6.95 -2.07 0.06 1.62 7.64 -1.26 -4.89 113.62 121.68 2fwu n SER 649 Ca 0.50 -0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2fwu n SER 649 Cb 0.39 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 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 -0.79 -0.78 -3.34 1.43 9.36 -1.26 -5.02 117.16 116.75 2fwu n TYR 650 Ca -0.09 0.14 -0.04 0.00 3.32 0.00 0.00 57.90 61.23 2fwu n TYR 650 Cb 0.28 0.25 0.01 0.00 -0.63 0.00 0.00 39.34 39.25 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 -3.17 0.49 -3.72 2.98 1.02 -1.26 -5.14 120.64 111.84 2fwu n GLU 651 Ca 0.00 -0.96 -0.29 0.00 -0.02 0.00 0.00 57.16 55.89 2fwu n GLU 651 Cb 0.00 1.19 -0.15 0.00 -0.02 0.00 0.00 31.44 32.46 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 -6.04 1.49 -0.13 -0.32 5.36 -1.26 -4.90 117.98 112.17 2fwu s PHE 652 Ca 0.07 -1.51 -0.04 0.00 -0.96 0.00 0.00 56.93 54.48 2fwu s PHE 652 Cb -0.02 -1.52 0.05 0.00 -0.34 0.00 0.00 43.02 41.19 2fwu s PHE 652 CO 0.05 -0.83 0.09 0.15 -1.46 0.00 0.00 175.22 173.23 2fwu s LYS 653 N 1.70 0.03 -0.34 10.12 1.02 -1.26 -5.12 119.74 125.88 2fwu s LYS 653 Ca 0.08 0.10 -0.08 0.00 0.02 0.00 0.00 55.97 56.09 2fwu s LYS 653 Cb -0.17 -1.34 0.03 0.00 -0.52 0.00 0.00 37.83 35.84 2fwu s LYS 653 CO -0.23 -0.55 0.13 -1.12 -0.92 0.00 0.00 175.35 172.65 2fwu s SER 654 N 2.17 5.41 -0.65 2.83 0.01 -1.26 -4.96 113.70 117.25 2fwu s SER 654 Ca 0.03 -1.04 -0.25 0.00 1.31 0.00 0.00 55.95 56.00 2fwu s SER 654 Cb -0.15 -1.91 0.04 0.00 0.21 0.00 0.00 66.02 64.22 2fwu s SER 654 CO -0.07 -0.32 1.10 -0.89 0.41 0.00 0.00 173.24 173.46 2fwu s THR 655 N 1.46 4.10 0.20 1.44 2.01 -1.26 -4.97 115.64 118.62 2fwu s THR 655 Ca -0.00 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.24 2fwu s THR 655 Cb -0.19 -4.74 -0.01 0.00 0.01 0.00 0.00 72.50 67.58 2fwu s THR 655 CO 0.04 -1.50 0.08 1.33 -0.69 0.00 0.00 174.62 173.88 2fwu n VAL 656 N 6.24 0.00 1.47 3.82 0.24 -1.26 -5.08 118.33 123.76 2fwu n VAL 656 Ca 0.01 -1.19 0.14 0.00 -2.04 0.00 0.00 64.34 61.26 2fwu n VAL 656 Cb 0.48 0.44 0.50 0.00 -1.47 0.00 0.00 33.84 33.78 2fwu n VAL 656 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16