#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fwu h ALA 502 N 0.00 0.01 0.00 1.57 0.00 -1.73 -3.45 119.26 115.67 2fwu h ALA 502 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2fwu h ALA 502 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2fwu h ALA 502 CO 0.00 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2fwu n GLY 503 N 1.64 0.96 3.51 0.00 0.00 -1.26 -3.57 105.19 106.47 2fwu n GLY 503 Ca -0.09 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 2fwu n GLY 503 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fwu s ILE 504 N -2.21 3.53 -0.08 -0.61 1.09 -1.26 -1.82 121.20 119.84 2fwu s ILE 504 Ca 0.00 -0.52 -0.00 0.00 -1.10 0.00 0.00 60.65 59.03 2fwu s ILE 504 Cb 0.00 -2.46 0.02 0.00 -1.06 0.00 0.00 42.46 38.96 2fwu s ILE 504 CO 0.00 0.56 -0.05 -0.36 -0.10 0.00 0.00 174.94 175.00 2fwu s PHE 505 N -0.36 1.03 0.15 3.97 0.08 -0.55 -2.35 117.98 119.95 2fwu s PHE 505 Ca 0.05 -0.40 -0.12 0.00 0.12 0.00 0.00 56.93 56.58 2fwu s PHE 505 Cb -0.12 -0.93 0.01 0.00 -0.57 0.00 0.00 43.02 41.40 2fwu s PHE 505 CO 0.02 -0.35 0.35 -0.08 -0.10 0.00 0.00 175.22 175.06 2fwu s THR 506 N 1.47 0.07 0.53 0.64 -1.32 -1.26 -0.39 115.64 115.39 2fwu s THR 506 Ca -0.01 -1.05 -0.08 0.00 -1.21 0.00 0.00 61.69 59.34 2fwu s THR 506 Cb -0.13 -1.56 -0.04 0.00 -1.51 0.00 0.00 72.50 69.26 2fwu s THR 506 CO -0.04 -0.32 0.88 -0.36 -2.21 0.00 0.00 174.62 172.57 2fwu s PHE 507 N -3.89 3.58 -0.06 9.09 0.08 -1.02 -1.01 117.98 124.74 2fwu s PHE 507 Ca 0.10 1.01 -0.20 0.00 0.12 0.00 0.00 56.93 57.96 2fwu s PHE 507 Cb 0.02 -2.47 -0.31 0.00 -0.57 0.00 0.00 43.02 39.69 2fwu s PHE 507 CO -0.05 -0.43 0.82 1.49 -0.10 0.00 0.00 175.22 176.95 2fwu h GLU 508 N 0.06 0.29 -5.60 0.44 4.22 -1.85 -3.45 114.58 108.69 2fwu h GLU 508 Ca -0.46 -0.50 -0.58 0.00 0.08 0.00 0.00 59.36 57.90 2fwu h GLU 508 Cb 1.20 0.19 -0.31 0.00 0.50 0.00 0.00 28.75 30.33 2fwu h GLU 508 CO 0.62 1.24 -0.85 -1.83 -2.18 0.00 0.00 179.01 176.01 2fwu s GLU 509 N -2.44 1.80 0.00 1.92 -1.05 -1.26 -3.59 118.70 114.07 2fwu s GLU 509 Ca -0.15 -0.68 0.26 0.00 -0.15 0.00 0.00 54.97 54.25 2fwu s GLU 509 Cb 0.02 -1.61 0.63 0.00 -0.44 0.00 0.00 34.13 32.73 2fwu s GLU 509 CO 0.82 0.33 1.49 -0.35 0.95 0.00 0.00 175.26 178.49 2fwu n PRO 510 N 2.92 0.56 -3.78 -4.83 -0.04 -1.26 -4.72 135.00 123.86 2fwu n PRO 510 Ca -0.17 -0.34 -0.13 0.00 -0.04 0.00 0.00 63.50 62.82 2fwu n PRO 510 Cb 0.53 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.67 -0.04 -0.01 0.52 1.01 -1.26 0.29 120.40 118.24 2fwu s VAL 511 Ca 0.19 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 2fwu s VAL 511 Cb 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 36.38 36.36 2fwu s VAL 511 CO 0.59 0.05 0.04 0.28 0.00 0.00 0.00 175.10 176.06 2fwu s THR 512 N 0.83 0.04 -0.14 3.92 -1.32 -0.60 -4.56 115.64 113.81 2fwu s THR 512 Ca -0.06 -0.31 -0.00 0.00 -1.21 0.00 0.00 61.69 60.11 2fwu s THR 512 Cb -0.08 -0.16 -0.01 0.00 -1.51 0.00 0.00 72.50 70.73 2fwu s THR 512 CO -0.04 -0.17 -0.13 -1.00 -2.21 0.00 0.00 174.62 171.07 2fwu s HIS 513 N -0.51 2.82 0.33 9.09 3.76 -0.87 -0.75 115.29 129.15 2fwu s HIS 513 Ca -0.06 -0.78 0.09 0.00 -0.15 0.00 0.00 55.06 54.16 2fwu s HIS 513 Cb -0.04 -1.88 -0.05 0.00 1.11 0.00 0.00 32.58 31.73 2fwu s HIS 513 CO -0.00 -0.31 0.08 0.14 -0.85 0.00 0.00 174.74 173.80 2fwu s VAL 514 N 0.58 2.95 0.20 -0.90 -7.23 -0.77 -0.46 120.40 114.76 2fwu s VAL 514 Ca -0.08 -1.81 -0.17 0.00 -1.81 0.00 0.00 61.98 58.11 2fwu s VAL 514 Cb -0.16 -2.91 -0.08 0.00 0.56 0.00 0.00 36.38 33.80 2fwu s VAL 514 CO 0.03 -0.21 0.66 -0.55 -0.31 0.00 0.00 175.10 174.72 2fwu s SER 515 N -3.78 6.95 0.00 4.85 0.15 -1.26 -3.51 113.70 117.09 2fwu s SER 515 Ca 0.36 1.28 0.28 0.00 0.70 0.00 0.00 55.95 58.57 2fwu s SER 515 Cb -0.02 -2.36 1.20 0.00 -1.71 0.00 0.00 66.02 63.13 2fwu s SER 515 CO 0.21 0.05 1.90 1.21 1.20 0.00 0.00 173.24 177.81 2fwu n GLU 516 N 0.69 0.00 -0.66 5.44 2.13 -1.05 -2.88 120.64 124.31 2fwu n GLU 516 Ca -0.03 0.02 0.07 0.00 0.66 0.00 0.00 57.16 57.88 2fwu n GLU 516 Cb 0.51 -1.50 0.34 0.00 0.27 0.00 0.00 31.44 31.06 2fwu n GLU 516 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2fwu n SER 517 N -1.50 4.72 -4.94 4.31 7.64 -1.26 -4.84 113.62 117.75 2fwu n SER 517 Ca 0.07 -2.59 -0.24 0.00 1.01 0.00 0.00 58.87 57.12 2fwu n SER 517 Cb 0.33 -0.60 -0.02 0.00 -1.01 0.00 0.00 64.21 62.91 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 -2.14 5.17 -0.15 0.44 2.07 -1.14 -5.04 121.20 120.41 2fwu s ILE 518 Ca 0.47 -0.55 -0.15 0.00 -1.41 0.00 0.00 60.65 59.01 2fwu s ILE 518 Cb 0.33 -3.82 -0.05 0.00 0.13 0.00 0.00 42.46 39.04 2fwu s ILE 518 CO 0.19 -0.38 -0.30 0.61 -1.91 0.00 0.00 174.94 173.14 2fwu n GLY 519 N -1.34 -0.46 3.11 1.50 0.00 -1.26 -4.63 105.19 102.11 2fwu n GLY 519 Ca -0.06 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.76 1.70 -0.11 -0.61 -1.09 -1.26 -1.22 121.20 115.86 2fwu s ILE 520 Ca -0.25 -0.78 -0.04 0.00 -2.23 0.00 0.00 60.65 57.34 2fwu s ILE 520 Cb 0.04 -1.52 -0.04 0.00 -1.58 0.00 0.00 42.46 39.36 2fwu s ILE 520 CO 0.37 0.48 0.06 0.00 -1.23 0.00 0.00 174.94 174.62 2fwu s MET 521 N 0.77 3.22 -0.18 2.79 0.23 -0.87 -4.92 119.30 120.35 2fwu s MET 521 Ca -0.10 -0.30 0.01 0.00 -1.03 0.00 0.00 55.69 54.27 2fwu s MET 521 Cb -0.16 -2.97 0.02 0.00 -1.53 0.00 0.00 34.83 30.19 2fwu s MET 521 CO 0.01 0.71 -0.20 -1.21 -2.03 0.00 0.00 175.02 172.30 2fwu s GLU 522 N -0.86 2.95 -0.16 3.16 2.02 -1.25 -1.90 118.70 122.66 2fwu s GLU 522 Ca 0.13 -0.82 -0.05 0.00 0.02 0.00 0.00 54.97 54.25 2fwu s GLU 522 Cb -0.12 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.54 2fwu s GLU 522 CO 0.03 -0.21 0.01 0.08 0.02 0.00 0.00 175.26 175.19 2fwu s VAL 523 N 1.29 4.36 0.06 2.63 1.01 -1.01 -4.87 120.40 123.86 2fwu s VAL 523 Ca 0.05 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 2fwu s VAL 523 Cb -0.13 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 2fwu s VAL 523 CO -0.13 0.49 1.05 -0.54 0.00 0.00 0.00 175.10 175.97 2fwu s LYS 524 N 0.26 4.56 -0.08 2.72 -0.14 -1.26 -1.97 119.74 123.83 2fwu s LYS 524 Ca 0.01 1.56 0.02 0.00 -1.36 0.00 0.00 55.97 56.19 2fwu s LYS 524 Cb -0.13 -3.39 -0.02 0.00 -1.68 0.00 0.00 37.83 32.61 2fwu s LYS 524 CO 0.02 -0.03 -0.15 0.08 -0.76 0.00 0.00 175.35 174.51 2fwu s VAL 525 N 0.62 2.96 0.41 3.17 1.01 -0.39 -2.66 120.40 125.51 2fwu s VAL 525 Ca 0.52 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 2fwu s VAL 525 Cb -0.25 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.85 2fwu s VAL 525 CO 0.30 0.56 0.87 -0.76 0.00 0.00 0.00 175.10 176.06 2fwu s LEU 526 N -0.21 3.92 -0.03 3.92 2.01 -0.18 -3.37 118.68 124.73 2fwu s LEU 526 Ca 0.00 1.48 -0.06 0.00 0.01 0.00 0.00 54.13 55.56 2fwu s LEU 526 Cb -0.13 -4.33 -0.04 0.00 0.01 0.00 0.00 46.19 41.69 2fwu s LEU 526 CO 0.03 -0.35 0.22 -0.60 1.01 0.00 0.00 176.35 176.66 2fwu s ARG 527 N -3.33 3.53 0.68 1.70 3.52 -1.26 -4.10 118.95 119.69 2fwu s ARG 527 Ca 0.58 -0.12 -0.17 0.00 -0.13 0.00 0.00 55.73 55.89 2fwu s ARG 527 Cb -0.10 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 2fwu s ARG 527 CO 0.19 0.69 1.20 -2.37 -0.81 0.00 0.00 175.30 174.20 2fwu n THR 528 N 1.33 4.12 0.37 4.11 5.66 -0.99 -4.87 114.28 124.01 2fwu n THR 528 Ca -0.13 -0.44 0.13 0.00 -3.05 0.00 0.00 64.05 60.56 2fwu n THR 528 Cb 0.53 -1.36 0.34 0.00 -1.55 0.00 0.00 70.33 68.29 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 0.20 0.00 -1.89 1.09 0.87 -1.84 -3.29 113.55 108.69 2fwu h SER 529 Ca -0.49 0.00 -0.69 0.00 -1.23 0.00 0.00 61.79 59.38 2fwu h SER 529 Cb 1.34 0.00 -0.34 0.00 -0.44 0.00 0.00 62.40 62.95 2fwu h SER 529 CO 0.51 0.00 0.19 0.61 -0.53 0.00 0.00 176.83 177.61 2fwu n GLY 530 N 0.93 5.79 3.53 5.77 0.00 -1.23 -4.95 105.19 115.03 2fwu n GLY 530 Ca 0.04 -2.64 -0.42 0.00 0.00 0.00 0.00 46.02 43.00 2fwu n GLY 530 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fwu s ALA 531 N -3.84 2.87 -0.04 4.61 0.00 -1.24 -4.62 121.76 119.50 2fwu s ALA 531 Ca 0.48 -2.16 0.07 0.00 0.00 0.00 0.00 51.96 50.36 2fwu s ALA 531 Cb 0.37 -4.34 0.11 0.00 0.00 0.00 0.00 23.12 19.26 2fwu s ALA 531 CO -0.26 -3.38 1.05 2.89 0.00 0.00 0.00 175.76 176.06 2fwu n ARG 532 N 8.46 0.42 -3.88 0.00 -4.01 -1.26 -4.44 116.66 111.95 2fwu n ARG 532 Ca 0.23 -1.55 0.03 0.00 -1.04 0.00 0.00 57.85 55.52 2fwu n ARG 532 Cb 0.50 -0.81 0.01 0.00 -3.04 0.00 0.00 32.46 29.12 2fwu n ARG 532 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2fwu n GLY 533 N -0.45 0.22 3.67 2.89 0.00 -1.26 -4.85 105.19 105.42 2fwu n GLY 533 Ca 0.05 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.69 6.65 -0.10 1.61 3.04 -1.26 -2.99 114.94 118.20 2fwu s ASN 534 Ca 0.29 0.79 0.03 0.00 0.04 0.00 0.00 52.86 54.00 2fwu s ASN 534 Cb -0.01 -2.32 0.01 0.00 -1.54 0.00 0.00 41.25 37.39 2fwu s ASN 534 CO -0.01 -0.19 -0.18 -0.69 -3.04 0.00 0.00 177.10 172.99 2fwu s VAL 535 N 1.56 1.64 -0.15 -5.21 1.01 0.11 -0.05 120.40 119.32 2fwu s VAL 535 Ca 0.27 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 2fwu s VAL 535 Cb -0.16 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 2fwu s VAL 535 CO 0.11 0.47 0.15 -0.63 0.00 0.00 0.00 175.10 175.20 2fwu s ILE 536 N 0.64 5.45 -0.26 2.22 -1.09 0.28 -0.97 121.20 127.46 2fwu s ILE 536 Ca -0.13 0.24 0.03 0.00 -2.23 0.00 0.00 60.65 58.56 2fwu s ILE 536 Cb -0.16 -3.45 0.06 0.00 -1.58 0.00 0.00 42.46 37.33 2fwu s ILE 536 CO 0.04 0.54 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.50 2fwu s VAL 537 N -0.45 2.16 0.36 2.92 1.01 0.02 -0.58 120.40 125.85 2fwu s VAL 537 Ca 0.13 -1.67 -0.26 0.00 0.00 0.00 0.00 61.98 60.18 2fwu s VAL 537 Cb -0.12 -2.29 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 2fwu s VAL 537 CO 0.02 -0.07 1.09 -2.16 0.00 0.00 0.00 175.10 173.98 2fwu s PRO 538 N 1.10 4.30 0.08 2.72 0.04 -1.26 0.29 135.00 142.26 2fwu s PRO 538 Ca -0.08 1.67 -0.06 0.00 0.04 0.00 0.00 61.00 62.57 2fwu s PRO 538 Cb -0.20 -2.78 -0.02 0.00 0.04 0.00 0.00 34.50 31.55 2fwu s PRO 538 CO -0.05 -0.06 0.12 1.52 0.04 0.00 0.00 177.00 178.57 2fwu s TYR 539 N -1.45 0.33 0.16 0.56 1.13 0.17 -0.02 117.35 118.22 2fwu s TYR 539 Ca 0.53 -0.79 -0.23 0.00 -1.41 0.00 0.00 57.07 55.17 2fwu s TYR 539 Cb -0.27 -0.19 0.07 0.00 -1.10 0.00 0.00 41.96 40.47 2fwu s TYR 539 CO 0.34 -0.50 0.63 -1.59 -2.51 0.00 0.00 175.55 171.91 2fwu s LYS 540 N -3.90 1.28 -0.43 -3.49 -2.85 -0.93 -1.13 119.74 108.29 2fwu s LYS 540 Ca 0.07 -0.49 -0.15 0.00 -1.00 0.00 0.00 55.97 54.41 2fwu s LYS 540 Cb 0.06 0.58 0.04 0.00 -2.06 0.00 0.00 37.83 36.45 2fwu s LYS 540 CO -0.09 -0.56 0.33 0.95 0.10 0.00 0.00 175.35 176.08 2fwu s THR 541 N -3.72 5.22 -0.06 3.79 -4.23 -0.68 -2.59 115.64 113.38 2fwu s THR 541 Ca 0.02 -0.83 -0.28 0.00 -1.18 0.00 0.00 61.69 59.42 2fwu s THR 541 Cb -0.01 -3.99 -0.03 0.00 1.34 0.00 0.00 72.50 69.81 2fwu s THR 541 CO -0.12 -0.41 0.92 -0.63 -0.54 0.00 0.00 174.62 173.84 2fwu s ILE 542 N 1.66 4.88 0.02 2.99 1.09 0.11 -4.86 121.20 127.09 2fwu s ILE 542 Ca 0.05 1.90 -0.22 0.00 -1.10 0.00 0.00 60.65 61.27 2fwu s ILE 542 Cb -0.21 -4.25 -0.12 0.00 -1.06 0.00 0.00 42.46 36.82 2fwu s ILE 542 CO 0.09 0.13 1.15 -0.33 -0.10 0.00 0.00 174.94 175.87 2fwu h GLU 543 N 6.92 -0.76 0.00 2.79 5.08 -1.86 -0.71 114.58 126.04 2fwu h GLU 543 Ca -0.37 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2fwu h GLU 543 Cb 1.19 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2fwu h GLU 543 CO 0.78 -0.51 0.00 0.41 -1.00 0.00 0.00 179.01 178.70 2fwu n GLY 544 N -0.88 1.34 0.00 -3.84 0.00 -1.26 -1.17 105.19 99.38 2fwu n GLY 544 Ca -0.10 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.80 2.61 5.66 -1.25 -5.08 114.28 113.43 2fwu n THR 545 Ca 0.00 -0.04 -0.20 0.00 -3.05 0.00 0.00 64.05 60.77 2fwu n THR 545 Cb 0.00 1.73 0.03 0.00 -1.55 0.00 0.00 70.33 70.55 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 -0.01 4.17 -0.27 1.79 0.00 -0.32 -4.72 121.76 122.40 2fwu s ALA 546 Ca 0.00 -1.53 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 2fwu s ALA 546 Cb 0.00 -1.87 0.04 0.00 0.00 0.00 0.00 23.12 21.29 2fwu s ALA 546 CO 0.00 -0.63 -0.04 0.50 0.00 0.00 0.00 175.76 175.59 2fwu s ARG 547 N -4.63 2.60 0.44 0.00 6.06 -1.26 -4.72 118.95 117.44 2fwu s ARG 547 Ca 0.57 -1.14 0.03 0.00 -2.50 0.00 0.00 55.73 52.70 2fwu s ARG 547 Cb -0.10 -3.05 0.01 0.00 0.06 0.00 0.00 34.95 31.87 2fwu s ARG 547 CO 0.37 -0.51 0.63 0.20 -2.50 0.00 0.00 175.30 173.49 2fwu s GLY 548 N 1.27 1.70 0.00 8.12 0.00 -1.26 -0.72 107.32 116.42 2fwu s GLY 548 Ca -0.03 -1.32 0.00 0.00 0.00 0.00 0.00 44.72 43.37 2fwu s GLY 548 CO -0.03 -1.14 0.00 0.61 0.00 0.00 0.00 173.10 172.54 2fwu n GLY 549 N -2.00 1.36 1.05 0.20 0.00 -1.07 -4.23 105.19 100.50 2fwu n GLY 549 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.61 0.76 0.00 -0.02 0.00 0.22 -4.88 105.19 99.66 2fwu n GLY 550 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2fwu n GLY 550 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2fwu n GLU 551 N -2.29 0.00 -0.03 1.61 -0.58 -1.25 -4.68 120.64 113.41 2fwu n GLU 551 Ca 0.00 0.44 -0.02 0.00 -0.42 0.00 0.00 57.16 57.16 2fwu n GLU 551 Cb 0.00 -1.03 -0.07 0.00 -0.57 0.00 0.00 31.44 29.77 2fwu n GLU 551 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2fwu n ASP 552 N -1.82 2.85 -4.00 1.62 -0.08 0.10 -4.83 116.55 110.39 2fwu n ASP 552 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 2fwu n ASP 552 Cb 0.00 0.88 -0.10 0.00 2.34 0.00 0.00 41.12 44.25 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 -2.31 0.35 -0.15 -0.67 -0.71 -0.97 -2.91 117.98 110.60 2fwu s PHE 553 Ca -0.04 -0.77 -0.20 0.00 -1.04 0.00 0.00 56.93 54.89 2fwu s PHE 553 Cb 0.03 -0.25 -0.03 0.00 -1.21 0.00 0.00 43.02 41.56 2fwu s PHE 553 CO 0.36 -0.35 0.56 -2.00 -1.34 0.00 0.00 175.22 172.45 2fwu s GLU 554 N -3.09 4.28 -0.42 1.99 -6.30 -0.59 -0.61 118.70 113.97 2fwu s GLU 554 Ca -0.01 0.54 -0.29 0.00 -2.50 0.00 0.00 54.97 52.71 2fwu s GLU 554 Cb 0.02 -3.51 0.02 0.00 0.00 0.00 0.00 34.13 30.66 2fwu s GLU 554 CO -0.07 -0.04 1.17 0.34 0.02 0.00 0.00 175.26 176.68 2fwu s ASP 555 N 0.94 6.67 -0.21 -1.70 2.15 -1.26 -4.44 116.67 118.81 2fwu s ASP 555 Ca 0.28 0.72 -0.05 0.00 0.43 0.00 0.00 52.55 53.93 2fwu s ASP 555 Cb -0.16 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 39.90 2fwu s ASP 555 CO 0.11 -1.17 -0.01 0.28 -0.17 0.00 0.00 175.17 174.21 2fwu s THR 556 N 4.38 3.78 -0.04 1.71 -1.32 -1.26 -4.91 115.64 117.97 2fwu s THR 556 Ca 0.50 -0.37 -0.02 0.00 -1.21 0.00 0.00 61.69 60.59 2fwu s THR 556 Cb -0.10 -2.72 0.03 0.00 -1.51 0.00 0.00 72.50 68.20 2fwu s THR 556 CO 0.27 0.42 0.09 0.00 -2.21 0.00 0.00 174.62 173.19 2fwu n GLY 558 N 3.85 -0.85 2.95 0.00 0.00 -0.28 -4.99 105.19 105.88 2fwu n GLY 558 Ca -0.23 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.01 0.11 0.10 1.61 2.02 -1.26 -0.66 118.70 120.61 2fwu s GLU 559 Ca 0.00 0.30 -0.09 0.00 0.02 0.00 0.00 54.97 55.20 2fwu s GLU 559 Cb 0.00 -0.09 -0.06 0.00 0.10 0.00 0.00 34.13 34.08 2fwu s GLU 559 CO 0.00 -0.11 0.40 -0.51 0.02 0.00 0.00 175.26 175.06 2fwu s LEU 560 N 0.78 4.33 -0.33 1.80 1.43 0.14 -4.88 118.68 121.94 2fwu s LEU 560 Ca -0.06 0.76 -0.09 0.00 -1.03 0.00 0.00 54.13 53.71 2fwu s LEU 560 Cb -0.08 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.08 2fwu s LEU 560 CO -0.04 0.14 0.15 -0.70 0.23 0.00 0.00 176.35 176.14 2fwu s GLU 561 N -2.08 3.02 -0.00 1.70 2.12 -1.26 -0.80 118.70 121.40 2fwu s GLU 561 Ca 0.35 -0.93 0.02 0.00 0.36 0.00 0.00 54.97 54.77 2fwu s GLU 561 Cb -0.13 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 2fwu s GLU 561 CO 0.19 -0.55 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.26 2fwu s PHE 562 N 1.55 2.97 0.05 5.30 0.08 -0.15 -4.93 117.98 122.85 2fwu s PHE 562 Ca 0.03 0.01 0.00 0.00 0.12 0.00 0.00 56.93 57.09 2fwu s PHE 562 Cb -0.18 -1.64 -0.00 0.00 -0.57 0.00 0.00 43.02 40.63 2fwu s PHE 562 CO 0.05 0.41 0.06 1.04 -0.10 0.00 0.00 175.22 176.68 2fwu n GLN 563 N 1.55 0.09 0.12 0.44 6.02 -1.20 0.09 117.38 124.49 2fwu n GLN 563 Ca -0.15 -0.43 -0.22 0.00 -0.01 0.00 0.00 57.00 56.18 2fwu n GLN 563 Cb 0.53 0.40 -0.14 0.00 1.02 0.00 0.00 30.24 32.05 2fwu n GLN 563 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 2fwu h ASN 564 N 0.29 0.80 0.13 1.08 -1.24 -1.75 -3.27 115.58 111.63 2fwu h ASN 564 Ca -0.04 -0.80 0.00 0.00 0.71 0.00 0.00 56.30 56.18 2fwu h ASN 564 Cb 0.17 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.97 2fwu h ASN 564 CO 0.05 1.61 -0.10 0.47 -1.29 0.00 0.00 177.43 178.17 2fwu n ASP 565 N -3.73 1.06 -4.24 1.15 8.00 -1.26 -4.75 116.55 112.79 2fwu n ASP 565 Ca -0.14 -1.10 -0.33 0.00 0.71 0.00 0.00 54.79 53.92 2fwu n ASP 565 Cb 1.03 0.03 -0.15 0.00 -0.02 0.00 0.00 41.12 42.01 2fwu n ASP 565 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2fwu s GLU 566 N -2.25 3.18 -0.03 -1.24 2.56 -1.23 -5.10 118.70 114.59 2fwu s GLU 566 Ca 0.33 -0.76 0.07 0.00 0.00 0.00 0.00 54.97 54.61 2fwu s GLU 566 Cb 0.20 -2.64 -0.02 0.00 2.00 0.00 0.00 34.13 33.67 2fwu s GLU 566 CO 0.42 -0.05 -0.24 0.96 -0.56 0.00 0.00 175.26 175.79 2fwu s ILE 567 N 0.97 2.20 0.52 -3.70 -5.25 -1.26 -3.22 121.20 111.46 2fwu s ILE 567 Ca -0.02 -1.05 0.00 0.00 -0.99 0.00 0.00 60.65 58.58 2fwu s ILE 567 Cb -0.15 -1.77 0.00 0.00 2.95 0.00 0.00 42.46 43.49 2fwu s ILE 567 CO -0.03 0.58 0.00 0.55 -1.79 0.00 0.00 174.94 174.25 2fwu n VAL 568 N 2.43 -0.79 -3.89 8.37 3.14 -1.26 -5.05 118.33 121.27 2fwu n VAL 568 Ca -0.16 0.80 -0.09 0.00 -2.96 0.00 0.00 64.34 61.92 2fwu n VAL 568 Cb 0.51 -1.20 -0.07 0.00 -1.06 0.00 0.00 33.84 32.02 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 -4.47 1.04 -0.02 1.45 -0.14 -1.22 -4.96 119.74 111.42 2fwu s LYS 569 Ca 0.00 -1.05 0.01 0.00 -1.36 0.00 0.00 55.97 53.57 2fwu s LYS 569 Cb 0.00 0.38 0.01 0.00 -1.68 0.00 0.00 37.83 36.54 2fwu s LYS 569 CO 0.00 -0.37 -0.05 0.95 -0.76 0.00 0.00 175.35 175.12 2fwu s THR 570 N -3.91 0.48 -0.28 2.17 -4.23 -1.25 -1.27 115.64 107.35 2fwu s THR 570 Ca 0.11 -0.16 -0.24 0.00 -1.18 0.00 0.00 61.69 60.22 2fwu s THR 570 Cb 0.04 -0.47 -0.00 0.00 1.34 0.00 0.00 72.50 73.41 2fwu s THR 570 CO -0.05 0.18 0.82 -0.63 -0.54 0.00 0.00 174.62 174.40 2fwu s ILE 571 N 0.45 4.79 -0.27 2.99 1.09 -0.83 -4.81 121.20 124.61 2fwu s ILE 571 Ca -0.05 1.39 -0.12 0.00 -1.10 0.00 0.00 60.65 60.76 2fwu s ILE 571 Cb -0.09 -4.15 -0.05 0.00 -1.06 0.00 0.00 42.46 37.11 2fwu s ILE 571 CO -0.00 -0.19 0.24 -0.44 -0.10 0.00 0.00 174.94 174.45 2fwu s SER 572 N 1.50 6.10 -0.05 3.58 0.01 -1.25 -2.41 113.70 121.18 2fwu s SER 572 Ca 0.34 0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.74 2fwu s SER 572 Cb -0.14 -2.15 -0.00 0.00 0.21 0.00 0.00 66.02 63.94 2fwu s SER 572 CO 0.10 -0.07 -0.20 -0.69 0.41 0.00 0.00 173.24 172.79 2fwu s VAL 573 N 1.76 1.67 -0.33 3.43 1.01 -0.80 -4.93 120.40 122.22 2fwu s VAL 573 Ca 0.09 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 2fwu s VAL 573 Cb -0.16 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.79 2fwu s VAL 573 CO 0.10 0.47 0.73 -0.75 0.00 0.00 0.00 175.10 175.65 2fwu s LYS 574 N 0.04 3.86 -0.00 2.72 2.47 -1.26 -2.05 119.74 125.52 2fwu s LYS 574 Ca -0.06 0.38 -0.23 0.00 -1.56 0.00 0.00 55.97 54.51 2fwu s LYS 574 Cb -0.13 -3.76 -0.05 0.00 -1.46 0.00 0.00 37.83 32.43 2fwu s LYS 574 CO 0.03 -0.70 0.67 0.08 0.16 0.00 0.00 175.35 175.60 2fwu s VAL 575 N 2.87 4.88 0.27 4.02 1.01 -0.36 -1.54 120.40 131.56 2fwu s VAL 575 Ca 0.29 1.41 0.01 0.00 0.00 0.00 0.00 61.98 63.70 2fwu s VAL 575 Cb -0.14 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2fwu s VAL 575 CO 0.14 0.37 0.45 -0.63 0.00 0.00 0.00 175.10 175.42 2fwu s ILE 576 N 0.06 5.18 -0.08 2.22 -1.09 -1.15 -4.81 121.20 121.53 2fwu s ILE 576 Ca 0.35 -0.57 -0.30 0.00 -2.23 0.00 0.00 60.65 57.90 2fwu s ILE 576 Cb -0.19 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 36.82 2fwu s ILE 576 CO 0.19 -0.37 1.62 1.51 -1.23 0.00 0.00 174.94 176.66 2fwu s ASP 577 N -3.74 6.65 -0.01 3.58 -4.77 -1.26 -4.84 116.67 112.29 2fwu s ASP 577 Ca 0.38 2.14 -0.30 0.00 -3.30 0.00 0.00 52.55 51.46 2fwu s ASP 577 Cb -0.10 -2.53 -0.06 0.00 -1.09 0.00 0.00 42.92 39.14 2fwu s ASP 577 CO 0.32 -0.95 1.59 -0.62 0.70 0.00 0.00 175.17 176.21 2fwu s ASP 578 N 3.36 6.70 0.16 2.11 2.15 -1.26 -4.91 116.67 124.97 2fwu s ASP 578 Ca 0.72 2.27 0.18 0.00 0.43 0.00 0.00 52.55 56.15 2fwu s ASP 578 Cb -0.32 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 39.72 2fwu s ASP 578 CO 0.28 -0.86 1.05 1.05 -0.17 0.00 0.00 175.17 176.52 2fwu h GLU 579 N 8.77 0.00 -5.44 4.34 9.09 -1.91 -3.48 114.58 125.95 2fwu h GLU 579 Ca -0.40 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.37 2fwu h GLU 579 Cb 1.18 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 28.17 2fwu h GLU 579 CO 0.94 0.23 -0.48 -1.83 0.05 0.00 0.00 179.01 177.91 2fwu s GLU 580 N -3.06 2.18 0.76 1.06 1.03 -1.26 -5.11 118.70 114.30 2fwu s GLU 580 Ca -0.00 -2.26 -0.15 0.00 0.03 0.00 0.00 54.97 52.59 2fwu s GLU 580 Cb 0.08 -1.68 0.06 0.00 -0.80 0.00 0.00 34.13 31.79 2fwu s GLU 580 CO 0.78 -0.35 1.23 1.52 -1.33 0.00 0.00 175.26 177.11 2fwu s TYR 581 N -2.82 1.89 -0.66 4.83 -0.85 -1.26 -4.89 117.35 113.60 2fwu s TYR 581 Ca 0.17 1.62 -0.25 0.00 -0.52 0.00 0.00 57.07 58.09 2fwu s TYR 581 Cb 0.02 -3.53 0.05 0.00 0.38 0.00 0.00 41.96 38.87 2fwu s TYR 581 CO 0.09 -2.85 1.09 -2.00 -1.52 0.00 0.00 175.55 170.37 2fwu s GLU 582 N -3.93 3.21 -0.13 -3.49 2.56 -1.26 -4.93 118.70 110.72 2fwu s GLU 582 Ca 0.76 -0.43 -0.12 0.00 0.00 0.00 0.00 54.97 55.18 2fwu s GLU 582 Cb -0.31 -4.16 -0.05 0.00 2.00 0.00 0.00 34.13 31.61 2fwu s GLU 582 CO 0.47 -1.86 0.25 -1.59 -0.56 0.00 0.00 175.26 171.97 2fwu s LYS 583 N 4.71 4.00 -1.24 4.30 -2.85 -1.26 -4.99 119.74 122.40 2fwu s LYS 583 Ca 0.30 0.04 -0.19 0.00 -1.00 0.00 0.00 55.97 55.12 2fwu s LYS 583 Cb -0.12 -3.33 -0.00 0.00 -2.06 0.00 0.00 37.83 32.31 2fwu s LYS 583 CO 0.15 0.45 1.88 0.09 0.10 0.00 0.00 175.35 178.01 2fwu n ASN 584 N 2.90 4.04 -4.91 0.03 5.03 -1.26 -4.90 115.26 116.19 2fwu n ASN 584 Ca -0.15 -2.82 -0.28 0.00 0.87 0.00 0.00 54.58 52.20 2fwu n ASN 584 Cb 0.53 -1.68 0.06 0.00 -1.02 0.00 0.00 39.78 37.66 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 4.84 2.49 -0.13 3.52 0.00 -1.26 -4.92 119.74 124.28 2fwu s LYS 585 Ca 0.58 0.10 -0.22 0.00 0.00 0.00 0.00 55.97 56.43 2fwu s LYS 585 Cb 0.05 -2.09 0.05 0.00 0.00 0.00 0.00 37.83 35.84 2fwu s LYS 585 CO 0.08 -1.15 0.55 -0.08 0.00 0.00 0.00 175.35 174.76 2fwu s THR 586 N -3.31 0.01 0.10 3.79 -1.32 -1.26 -3.37 115.64 110.28 2fwu s THR 586 Ca 0.59 -0.09 0.07 0.00 -1.21 0.00 0.00 61.69 61.04 2fwu s THR 586 Cb -0.11 -0.82 -0.04 0.00 -1.51 0.00 0.00 72.50 70.02 2fwu s THR 586 CO 0.48 -0.05 -0.09 0.72 -2.21 0.00 0.00 174.62 173.47 2fwu s PHE 587 N -0.46 2.78 -0.16 9.09 -0.12 -1.19 -3.77 117.98 124.15 2fwu s PHE 587 Ca -0.06 -0.14 -0.05 0.00 -0.05 0.00 0.00 56.93 56.63 2fwu s PHE 587 Cb -0.03 -1.46 -0.03 0.00 -0.63 0.00 0.00 43.02 40.87 2fwu s PHE 587 CO 0.04 0.43 0.01 -0.06 -0.05 0.00 0.00 175.22 175.59 2fwu s PHE 588 N -1.21 3.14 -0.29 3.49 0.08 -0.27 -1.69 117.98 121.23 2fwu s PHE 588 Ca 0.22 -0.07 -0.10 0.00 0.12 0.00 0.00 56.93 57.09 2fwu s PHE 588 Cb -0.11 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 2fwu s PHE 588 CO 0.14 0.12 0.15 -1.17 -0.10 0.00 0.00 175.22 174.36 2fwu s LEU 589 N 0.19 3.93 0.03 -0.37 1.98 0.76 0.03 118.68 125.24 2fwu s LEU 589 Ca 0.01 -0.23 0.05 0.00 -2.89 0.00 0.00 54.13 51.06 2fwu s LEU 589 Cb -0.13 -2.04 -0.02 0.00 0.66 0.00 0.00 46.19 44.66 2fwu s LEU 589 CO 0.02 -0.10 -0.14 -0.70 -1.89 0.00 0.00 176.35 173.53 2fwu s GLU 590 N 1.68 0.98 0.13 1.98 2.12 -1.07 -0.95 118.70 123.57 2fwu s GLU 590 Ca 0.06 -0.70 0.04 0.00 0.36 0.00 0.00 54.97 54.73 2fwu s GLU 590 Cb -0.16 -0.98 -0.04 0.00 0.26 0.00 0.00 34.13 33.21 2fwu s GLU 590 CO 0.08 0.25 0.09 0.96 -0.54 0.00 0.00 175.26 176.10 2fwu s ILE 591 N -0.74 4.40 0.00 -3.70 -4.36 -1.26 -2.19 121.20 113.35 2fwu s ILE 591 Ca 0.02 -0.99 0.00 0.00 -0.26 0.00 0.00 60.65 59.43 2fwu s ILE 591 Cb -0.07 -3.19 0.00 0.00 1.25 0.00 0.00 42.46 40.45 2fwu s ILE 591 CO 0.01 -0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.79 2fwu n GLY 592 N 0.03 1.80 3.67 6.27 0.00 0.97 -4.97 105.19 112.95 2fwu n GLY 592 Ca -0.09 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 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 1.03 4.19 0.35 1.61 2.12 -1.26 -4.62 118.70 122.13 2fwu s GLU 593 Ca 0.00 2.20 -0.28 0.00 0.36 0.00 0.00 54.97 57.25 2fwu s GLU 593 Cb 0.00 -3.90 -0.10 0.00 0.26 0.00 0.00 34.13 30.39 2fwu s GLU 593 CO 0.00 -0.81 1.29 -1.25 -0.54 0.00 0.00 175.26 173.95 2fwu s PRO 594 N 3.70 4.27 -0.15 4.30 0.04 -1.26 -4.50 135.00 141.40 2fwu s PRO 594 Ca 0.73 2.16 0.01 0.00 0.04 0.00 0.00 61.00 63.94 2fwu s PRO 594 Cb -0.34 -2.98 0.02 0.00 0.04 0.00 0.00 34.50 31.23 2fwu s PRO 594 CO 0.30 -0.24 -0.18 -0.98 0.04 0.00 0.00 177.00 175.93 2fwu s ARG 595 N -1.91 2.72 -0.08 4.56 1.70 0.25 -4.48 118.95 121.71 2fwu s ARG 595 Ca 0.51 -0.73 -0.30 0.00 -0.47 0.00 0.00 55.73 54.74 2fwu s ARG 595 Cb -0.38 -2.32 -0.03 0.00 -0.57 0.00 0.00 34.95 31.65 2fwu s ARG 595 CO 0.51 -0.14 1.21 -1.17 -1.08 0.00 0.00 175.30 174.63 2fwu s LEU 596 N 1.15 4.25 -1.27 -1.89 1.98 -1.26 -0.56 118.68 121.08 2fwu s LEU 596 Ca -0.00 1.78 -0.09 0.00 -2.89 0.00 0.00 54.13 52.92 2fwu s LEU 596 Cb -0.14 -3.55 0.17 0.00 0.66 0.00 0.00 46.19 43.33 2fwu s LEU 596 CO -0.08 -0.63 1.84 0.52 -1.89 0.00 0.00 176.35 176.12 2fwu n VAL 597 N 4.81 4.38 -3.78 1.68 0.31 0.93 -4.83 118.33 121.83 2fwu n VAL 597 Ca 0.12 -4.48 -0.13 0.00 -0.01 0.00 0.00 64.34 59.84 2fwu n VAL 597 Cb 0.46 -2.35 -0.09 0.00 -0.91 0.00 0.00 33.84 30.95 2fwu n VAL 597 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2fwu s GLU 598 N 0.31 0.63 -0.38 5.55 -1.05 -1.26 -4.59 118.70 117.92 2fwu s GLU 598 Ca 0.39 -0.19 -0.25 0.00 -0.15 0.00 0.00 54.97 54.77 2fwu s GLU 598 Cb 0.09 0.28 0.01 0.00 -0.44 0.00 0.00 34.13 34.07 2fwu s GLU 598 CO 0.01 -0.17 0.89 0.00 0.95 0.00 0.00 175.26 176.94 2fwu s MET 599 N -1.26 3.79 -0.31 -4.83 0.23 -1.26 -4.98 119.30 110.68 2fwu s MET 599 Ca -0.13 0.47 0.02 0.00 -1.03 0.00 0.00 55.69 55.02 2fwu s MET 599 Cb -0.05 -3.82 0.09 0.00 -1.53 0.00 0.00 34.83 29.52 2fwu s MET 599 CO 0.04 -0.95 0.03 -1.12 -2.03 0.00 0.00 175.02 170.98 2fwu s SER 600 N 1.91 4.46 -0.16 -1.18 0.01 -1.26 -5.05 113.70 112.42 2fwu s SER 600 Ca 0.36 -1.84 -0.07 0.00 1.31 0.00 0.00 55.95 55.72 2fwu s SER 600 Cb -0.12 -1.41 0.07 0.00 0.21 0.00 0.00 66.02 64.77 2fwu s SER 600 CO 0.19 -0.35 0.36 -1.83 0.41 0.00 0.00 173.24 172.02 2fwu s GLU 601 N 1.13 0.29 -0.37 12.44 -1.05 -1.26 -5.09 118.70 124.79 2fwu s GLU 601 Ca 0.06 0.83 0.02 0.00 -0.15 0.00 0.00 54.97 55.74 2fwu s GLU 601 Cb -0.19 0.09 0.11 0.00 -0.44 0.00 0.00 34.13 33.70 2fwu s GLU 601 CO -0.11 -0.22 0.13 0.21 0.95 0.00 0.00 175.26 176.22 2fwu s LYS 602 N 2.05 1.22 -0.01 -4.83 2.47 -1.26 -5.09 119.74 114.29 2fwu s LYS 602 Ca -0.04 -1.70 0.03 0.00 -1.56 0.00 0.00 55.97 52.70 2fwu s LYS 602 Cb -0.11 -2.60 -0.01 0.00 -1.46 0.00 0.00 37.83 33.65 2fwu s LYS 602 CO -0.11 -1.02 -0.11 -1.59 0.16 0.00 0.00 175.35 172.68 2fwu s LYS 603 N 0.91 0.93 -0.10 4.03 0.00 -1.26 -5.02 119.74 119.23 2fwu s LYS 603 Ca 0.13 -0.40 -0.03 0.00 0.00 0.00 0.00 55.97 55.67 2fwu s LYS 603 Cb -0.20 -0.89 -0.05 0.00 0.00 0.00 0.00 37.83 36.68 2fwu s LYS 603 CO -0.12 0.23 -0.12 0.41 0.00 0.00 0.00 175.35 175.76 2fwu n GLY 604 N 2.85 -0.16 0.00 0.59 0.00 -1.26 -5.12 105.19 102.09 2fwu n GLY 604 Ca -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 2.62 -0.46 3.56 -0.02 0.00 -1.26 -5.07 105.19 104.56 2fwu n GLY 605 Ca -0.20 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 2fwu n GLY 605 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fwu s PHE 606 N 0.00 1.26 -0.09 1.61 -0.71 -1.26 -4.88 117.98 113.91 2fwu s PHE 606 Ca 0.00 1.54 -0.06 0.00 -1.04 0.00 0.00 56.93 57.37 2fwu s PHE 606 Cb 0.00 -3.63 0.03 0.00 -1.21 0.00 0.00 43.02 38.21 2fwu s PHE 606 CO 0.00 -1.99 0.22 0.95 -1.34 0.00 0.00 175.22 173.06 2fwu s THR 607 N 12.71 -0.02 -0.36 -4.49 -4.23 -1.26 -5.11 115.64 112.88 2fwu s THR 607 Ca 0.88 0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 61.35 2fwu s THR 607 Cb -0.13 -0.33 0.01 0.00 1.34 0.00 0.00 72.50 73.39 2fwu s THR 607 CO 0.14 0.03 0.21 -0.63 -0.54 0.00 0.00 174.62 173.83 2fwu s ILE 608 N 0.61 4.79 -0.22 2.99 1.01 -1.26 -5.01 121.20 124.11 2fwu s ILE 608 Ca -0.04 -0.62 -0.36 0.00 0.00 0.00 0.00 60.65 59.63 2fwu s ILE 608 Cb -0.05 -3.59 0.15 0.00 0.01 0.00 0.00 42.46 38.98 2fwu s ILE 608 CO -0.03 -0.14 1.25 0.28 0.00 0.00 0.00 174.94 176.30 2fwu s THR 609 N 1.61 0.00 -0.79 2.92 -1.32 -1.26 -5.08 115.64 111.72 2fwu s THR 609 Ca 0.04 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.53 2fwu s THR 609 Cb -0.18 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.00 2fwu s THR 609 CO 0.08 0.00 0.63 -1.61 -2.21 0.00 0.00 174.62 171.50 2fwu s GLU 610 N -2.25 2.86 -0.68 7.08 2.02 -1.26 -5.02 118.70 121.44 2fwu s GLU 610 Ca 0.10 -3.27 -0.25 0.00 0.02 0.00 0.00 54.97 51.57 2fwu s GLU 610 Cb -0.01 -3.70 0.05 0.00 0.10 0.00 0.00 34.13 30.57 2fwu s GLU 610 CO -0.04 -1.27 1.10 -1.21 0.02 0.00 0.00 175.26 173.86 2fwu s GLU 611 N -1.33 3.17 0.02 1.61 0.41 -1.26 -5.00 118.70 116.32 2fwu s GLU 611 Ca 0.26 -0.52 -0.23 0.00 -0.41 0.00 0.00 54.97 54.07 2fwu s GLU 611 Cb -0.07 -4.19 -0.05 0.00 -1.78 0.00 0.00 34.13 28.04 2fwu s GLU 611 CO -0.14 -1.93 0.69 0.71 -0.49 0.00 0.00 175.26 174.10 2fwu s TYR 612 N 4.78 3.70 -0.24 1.61 2.02 -1.26 -4.88 117.35 123.08 2fwu s TYR 612 Ca 0.29 1.34 0.05 0.00 -0.37 0.00 0.00 57.07 58.38 2fwu s TYR 612 Cb -0.13 -2.73 0.13 0.00 -0.40 0.00 0.00 41.96 38.83 2fwu s TYR 612 CO 0.13 0.30 1.09 -0.25 -1.57 0.00 0.00 175.55 175.25 2fwu n ASP 613 N 2.83 2.34 -4.69 2.29 8.00 -1.26 -5.03 116.55 121.02 2fwu n ASP 613 Ca -0.04 -2.15 -0.45 0.00 0.71 0.00 0.00 54.79 52.86 2fwu n ASP 613 Cb 0.51 -0.12 -0.04 0.00 -0.02 0.00 0.00 41.12 41.45 2fwu n ASP 613 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2fwu n ASP 614 N -0.35 3.51 -4.47 -2.24 2.03 -1.26 -4.93 116.55 108.84 2fwu n ASP 614 Ca 0.05 1.05 -0.43 0.00 0.52 0.00 0.00 54.79 55.99 2fwu n ASP 614 Cb 0.36 -1.48 -0.03 0.00 -0.72 0.00 0.00 41.12 39.25 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 1.52 3.36 0.31 -0.67 -2.85 -1.26 -5.01 119.74 115.15 2fwu s LYS 615 Ca 0.79 -1.21 0.06 0.00 -1.00 0.00 0.00 55.97 54.61 2fwu s LYS 615 Cb -0.60 -4.63 -0.02 0.00 -2.06 0.00 0.00 37.83 30.52 2fwu s LYS 615 CO 0.37 -1.86 0.41 -0.65 0.10 0.00 0.00 175.35 173.73 2fwu s GLN 616 N 3.68 3.11 0.89 1.78 -0.21 -1.26 -5.12 119.66 122.53 2fwu s GLN 616 Ca 0.30 -1.01 -0.15 0.00 0.02 0.00 0.00 55.36 54.52 2fwu s GLN 616 Cb -0.10 -2.77 0.22 0.00 1.00 0.00 0.00 33.01 31.36 2fwu s GLN 616 CO 0.00 0.15 0.81 -0.35 -2.12 0.00 0.00 175.29 173.78 2fwu n PRO 617 N -1.54 -2.50 -2.36 2.91 -0.04 -1.26 -4.78 135.00 125.43 2fwu n PRO 617 Ca -0.02 -1.29 -0.41 0.00 -0.04 0.00 0.00 63.50 61.74 2fwu n PRO 617 Cb 0.58 -1.19 -0.03 0.00 -0.04 0.00 0.00 33.50 32.83 2fwu n PRO 617 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2fwu s LEU 618 N 0.00 3.35 0.20 1.53 2.01 -1.26 -4.85 118.68 119.66 2fwu s LEU 618 Ca 0.52 0.20 -0.23 0.00 0.01 0.00 0.00 54.13 54.63 2fwu s LEU 618 Cb -0.05 -2.92 0.05 0.00 0.01 0.00 0.00 46.19 43.28 2fwu s LEU 618 CO 0.40 -1.81 0.79 0.28 1.01 0.00 0.00 176.35 177.01 2fwu s THR 619 N 6.41 0.00 0.00 5.49 -1.32 -1.26 -5.04 115.64 119.92 2fwu s THR 619 Ca 0.52 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 60.35 2fwu s THR 619 Cb -0.11 -1.76 0.00 0.00 -1.51 0.00 0.00 72.50 69.13 2fwu s THR 619 CO 0.23 0.00 0.00 -0.24 -2.21 0.00 0.00 174.62 172.40 2fwu n SER 620 N -0.43 1.50 -1.33 8.08 2.88 -1.26 -5.00 113.62 118.06 2fwu n SER 620 Ca -0.07 -0.34 -0.16 0.00 -1.33 0.00 0.00 58.87 56.96 2fwu n SER 620 Cb 0.61 0.98 -0.07 0.00 -0.75 0.00 0.00 64.21 64.98 2fwu n SER 620 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2fwu n LYS 621 N -1.13 -1.51 -2.41 -1.46 4.76 -1.26 -1.63 118.16 113.51 2fwu n LYS 621 Ca 0.00 1.04 -0.19 0.00 -2.87 0.00 0.00 58.31 56.29 2fwu n LYS 621 Cb 0.00 -5.40 -0.01 0.00 -1.84 0.00 0.00 35.03 27.78 2fwu n LYS 621 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2fwu n GLU 622 N -1.80 -1.82 -4.22 1.97 -0.58 -1.26 -4.98 120.64 107.96 2fwu n GLU 622 Ca -0.16 0.92 -0.35 0.00 -0.42 0.00 0.00 57.16 57.14 2fwu n GLU 622 Cb 0.61 -5.57 -0.10 0.00 -0.57 0.00 0.00 31.44 25.82 2fwu n GLU 622 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2fwu s GLU 623 N -5.05 3.43 0.29 3.49 2.02 -0.65 -4.97 118.70 117.27 2fwu s GLU 623 Ca 0.00 -0.37 -0.02 0.00 0.02 0.00 0.00 54.97 54.60 2fwu s GLU 623 Cb -0.00 -2.98 0.43 0.00 0.10 0.00 0.00 34.13 31.68 2fwu s GLU 623 CO 0.00 0.52 1.90 1.49 0.02 0.00 0.00 175.26 179.19 2fwu h GLU 624 N 5.82 0.96 -0.62 1.61 4.81 -1.94 -1.82 114.58 123.40 2fwu h GLU 624 Ca -0.44 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 58.71 2fwu h GLU 624 Cb 1.19 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 2fwu h GLU 624 CO 0.61 0.73 0.41 1.49 -0.73 0.00 0.00 179.01 181.52 2fwu h GLU 625 N 0.96 0.67 0.00 1.92 4.57 -1.93 -1.61 114.58 119.16 2fwu h GLU 625 Ca 0.24 -0.04 -0.17 0.00 -1.18 0.00 0.00 59.36 58.20 2fwu h GLU 625 Cb 0.08 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.49 2fwu h GLU 625 CO -0.03 0.44 -0.83 -0.09 -1.18 0.00 0.00 179.01 177.32 2fwu h ARG 626 N 0.69 0.00 -0.81 1.92 9.65 -1.58 -2.78 114.38 121.46 2fwu h ARG 626 Ca 0.26 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.13 2fwu h ARG 626 Cb 0.15 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.69 2fwu h ARG 626 CO -0.07 0.83 0.48 0.00 2.80 0.00 0.00 179.97 184.01 2fwu h ARG 627 N 0.00 1.10 -0.49 0.20 2.47 -1.05 0.24 114.38 116.85 2fwu h ARG 627 Ca -0.01 -0.10 -0.09 0.00 -1.26 0.00 0.00 59.98 58.52 2fwu h ARG 627 Cb 1.54 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 29.61 2fwu h ARG 627 CO 0.11 0.78 -0.04 0.82 0.56 0.00 0.00 179.97 182.20 2fwu h ILE 628 N 1.12 1.27 -0.42 2.04 2.04 -1.37 -1.47 117.51 120.71 2fwu h ILE 628 Ca 0.29 -1.14 -0.13 0.00 1.00 0.00 0.00 64.86 64.88 2fwu h ILE 628 Cb -0.03 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 2fwu h ILE 628 CO -0.05 0.40 -0.25 0.00 0.00 0.00 0.00 178.15 178.25 2fwu h ALA 629 N 0.92 0.60 0.00 1.87 0.00 -1.05 -2.83 119.26 118.77 2fwu h ALA 629 Ca 0.14 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2fwu h ALA 629 Cb 0.57 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2fwu h ALA 629 CO 0.03 0.61 0.00 0.93 0.00 0.00 0.00 179.25 180.82 2fwu h GLU 630 N 0.75 0.00 0.00 0.00 5.08 -0.30 0.49 114.58 120.59 2fwu h GLU 630 Ca 0.09 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 2fwu h GLU 630 Cb 0.83 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2fwu h GLU 630 CO 0.07 0.00 -0.85 1.98 -1.00 0.00 0.00 179.01 179.21 2fwu h MET 631 N 0.00 0.01 0.00 2.33 4.05 -1.02 -3.34 114.93 116.96 2fwu h MET 631 Ca 0.00 -0.01 -0.27 0.00 -0.28 0.00 0.00 59.70 59.14 2fwu h MET 631 Cb 0.31 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.07 2fwu h MET 631 CO 0.00 0.85 -2.28 0.41 0.23 0.00 0.00 176.91 176.12 2fwu n GLY 632 N 0.90 -1.00 3.86 1.39 0.00 -0.57 -3.00 105.19 106.77 2fwu n GLY 632 Ca -0.01 -0.39 -0.31 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.78 3.20 0.33 1.61 0.52 0.06 -4.34 118.95 117.56 2fwu s ARG 633 Ca -0.09 -0.53 -0.27 0.00 -0.52 0.00 0.00 55.73 54.31 2fwu s ARG 633 Cb 0.08 -2.91 -0.09 0.00 0.52 0.00 0.00 34.95 32.55 2fwu s ARG 633 CO 0.85 0.60 1.07 -1.25 0.02 0.00 0.00 175.30 176.59 2fwu s PRO 634 N -2.40 4.43 0.03 3.54 0.04 -1.26 -4.43 135.00 134.95 2fwu s PRO 634 Ca 0.32 1.67 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2fwu s PRO 634 Cb -0.13 -2.90 -0.00 0.00 0.04 0.00 0.00 34.50 31.51 2fwu s PRO 634 CO 0.25 0.06 0.01 0.44 0.04 0.00 0.00 177.00 177.80 2fwu n ILE 635 N 0.63 0.00 -2.26 0.56 -0.00 -0.75 -4.29 119.36 113.25 2fwu n ILE 635 Ca 0.02 -0.19 -0.29 0.00 -0.00 0.00 0.00 62.75 62.28 2fwu n ILE 635 Cb 0.47 0.07 0.01 0.00 -0.00 0.00 0.00 39.64 40.19 2fwu n ILE 635 CO 0.00 0.00 0.00 -1.48 -0.00 0.00 0.00 176.55 175.07 2fwu s LEU 636 N 0.00 3.40 0.00 7.28 -0.00 -1.26 -1.48 118.68 126.62 2fwu s LEU 636 Ca 0.02 1.13 0.00 0.00 -0.00 0.00 0.00 54.13 55.28 2fwu s LEU 636 Cb 0.00 -4.11 0.00 0.00 -0.00 0.00 0.00 46.19 42.08 2fwu s LEU 636 CO 0.01 -0.77 0.00 0.61 -0.00 0.00 0.00 176.35 176.20 2fwu n GLY 637 N -2.53 1.35 0.71 -3.48 0.00 0.47 -4.50 105.19 97.22 2fwu n GLY 637 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 0.16 -3.86 1.61 4.07 -1.26 -5.00 120.64 116.36 2fwu n GLU 638 Ca 0.00 0.07 -0.26 0.00 -0.06 0.00 0.00 57.16 56.91 2fwu n GLU 638 Cb 0.00 -0.80 -0.17 0.00 -0.06 0.00 0.00 31.44 30.41 2fwu n GLU 638 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 2fwu s HIS 639 N -2.14 1.25 -0.57 4.31 -3.43 -1.26 -5.05 115.29 108.41 2fwu s HIS 639 Ca -0.11 -0.61 -0.00 0.00 -0.80 0.00 0.00 55.06 53.54 2fwu s HIS 639 Cb 0.04 -1.11 0.15 0.00 -1.43 0.00 0.00 32.58 30.23 2fwu s HIS 639 CO 0.14 -0.47 0.35 0.95 -2.00 0.00 0.00 174.74 173.71 2fwu s THR 640 N 1.78 3.27 -0.29 -5.38 -4.23 -1.26 -2.45 115.64 107.08 2fwu s THR 640 Ca 0.04 -3.02 -0.22 0.00 -1.18 0.00 0.00 61.69 57.31 2fwu s THR 640 Cb -0.13 -3.18 0.17 0.00 1.34 0.00 0.00 72.50 70.70 2fwu s THR 640 CO -0.07 -0.83 1.27 -0.75 -0.54 0.00 0.00 174.62 173.69 2fwu s LYS 641 N -0.05 0.19 -0.23 3.99 2.47 -1.26 -4.74 119.74 120.11 2fwu s LYS 641 Ca 0.16 0.25 -0.04 0.00 -1.56 0.00 0.00 55.97 54.78 2fwu s LYS 641 Cb -0.22 0.08 0.08 0.00 -1.46 0.00 0.00 37.83 36.31 2fwu s LYS 641 CO -0.03 -0.03 0.13 -1.17 0.16 0.00 0.00 175.35 174.41 2fwu s LEU 642 N 0.40 0.37 -0.51 5.43 2.96 -0.12 -4.07 118.68 123.14 2fwu s LEU 642 Ca 0.02 -0.89 -0.19 0.00 -0.22 0.00 0.00 54.13 52.84 2fwu s LEU 642 Cb -0.04 -0.21 0.06 0.00 0.50 0.00 0.00 46.19 46.50 2fwu s LEU 642 CO -0.12 -0.39 0.63 -0.70 -1.32 0.00 0.00 176.35 174.44 2fwu s GLU 643 N 2.15 3.11 -0.49 1.98 2.12 0.14 -0.17 118.70 127.54 2fwu s GLU 643 Ca 0.06 -0.93 -0.19 0.00 0.36 0.00 0.00 54.97 54.27 2fwu s GLU 643 Cb -0.16 -4.11 0.05 0.00 0.26 0.00 0.00 34.13 30.17 2fwu s GLU 643 CO -0.23 -1.24 0.61 0.08 -0.54 0.00 0.00 175.26 173.94 2fwu s VAL 644 N 2.62 4.89 -0.15 3.70 1.01 -0.68 -1.56 120.40 130.22 2fwu s VAL 644 Ca 0.15 -0.44 -0.21 0.00 0.00 0.00 0.00 61.98 61.48 2fwu s VAL 644 Cb -0.20 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 2fwu s VAL 644 CO 0.11 -0.76 0.60 -0.63 0.00 0.00 0.00 175.10 174.43 2fwu s ILE 645 N 2.60 5.07 -0.09 2.22 1.09 0.07 -3.19 121.20 128.96 2fwu s ILE 645 Ca 0.15 1.18 -0.03 0.00 -1.10 0.00 0.00 60.65 60.84 2fwu s ILE 645 Cb -0.19 -3.93 -0.04 0.00 -1.06 0.00 0.00 42.46 37.25 2fwu s ILE 645 CO 0.12 0.19 0.05 -0.63 -0.10 0.00 0.00 174.94 174.58 2fwu s ILE 646 N 1.38 4.72 -0.25 2.92 1.09 -1.22 -1.86 121.20 127.99 2fwu s ILE 646 Ca 0.30 -0.11 -0.23 0.00 -1.10 0.00 0.00 60.65 59.51 2fwu s ILE 646 Cb -0.16 -3.02 0.06 0.00 -1.06 0.00 0.00 42.46 38.28 2fwu s ILE 646 CO 0.12 0.60 0.66 -1.83 -0.10 0.00 0.00 174.94 174.39 2fwu s GLU 647 N -0.98 0.77 0.15 2.79 -1.05 -1.23 -4.55 118.70 114.61 2fwu s GLU 647 Ca 0.14 0.92 -0.32 0.00 -0.15 0.00 0.00 54.97 55.56 2fwu s GLU 647 Cb -0.12 0.38 -0.18 0.00 -0.44 0.00 0.00 34.13 33.78 2fwu s GLU 647 CO 0.03 -0.09 0.78 0.39 0.95 0.00 0.00 175.26 177.32 2fwu n GLU 648 N 2.71 0.22 -0.92 -4.83 4.71 -1.26 -2.51 120.64 118.76 2fwu n GLU 648 Ca -0.14 0.08 -0.34 0.00 -0.01 0.00 0.00 57.16 56.75 2fwu n GLU 648 Cb 0.55 -1.30 -0.09 0.00 -1.01 0.00 0.00 31.44 29.59 2fwu n GLU 648 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2fwu n SER 649 N 1.81 0.34 0.03 1.62 2.88 -1.26 -4.76 113.62 114.28 2fwu n SER 649 Ca 0.18 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 2fwu n SER 649 Cb 0.21 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 2fwu n SER 649 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2fwu n TYR 650 N 6.00 -0.06 -3.61 0.66 9.36 -1.26 -5.03 117.16 123.22 2fwu n TYR 650 Ca 0.40 0.01 0.01 0.00 3.32 0.00 0.00 57.90 61.64 2fwu n TYR 650 Cb -0.00 0.02 -0.01 0.00 -0.63 0.00 0.00 39.34 38.72 2fwu n TYR 650 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 2fwu s GLU 651 N -1.61 0.32 -0.20 2.98 2.56 -1.26 -5.14 118.70 116.35 2fwu s GLU 651 Ca 0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.97 54.72 2fwu s GLU 651 Cb 0.00 0.11 -0.04 0.00 2.00 0.00 0.00 34.13 36.21 2fwu s GLU 651 CO 0.00 -0.15 0.07 0.12 -0.56 0.00 0.00 175.26 174.74 2fwu s PHE 652 N -2.36 3.21 -0.58 5.30 5.36 -1.26 -4.28 117.98 123.37 2fwu s PHE 652 Ca 0.14 -0.04 -0.05 0.00 -0.96 0.00 0.00 56.93 56.02 2fwu s PHE 652 Cb 0.04 -2.13 0.15 0.00 -0.34 0.00 0.00 43.02 40.74 2fwu s PHE 652 CO -0.04 0.02 0.41 0.15 -1.46 0.00 0.00 175.22 174.30 2fwu s LYS 653 N 0.73 2.55 -0.34 10.12 -0.14 0.39 -5.01 119.74 128.04 2fwu s LYS 653 Ca 0.04 -2.26 -0.13 0.00 -1.36 0.00 0.00 55.97 52.26 2fwu s LYS 653 Cb -0.13 -3.81 -0.01 0.00 -1.68 0.00 0.00 37.83 32.19 2fwu s LYS 653 CO 0.02 -1.17 0.24 0.45 -0.76 0.00 0.00 175.35 174.13 2fwu s SER 654 N 1.39 6.05 -0.15 2.83 0.15 -1.26 -2.06 113.70 120.66 2fwu s SER 654 Ca 0.13 -0.46 -0.04 0.00 0.70 0.00 0.00 55.95 56.29 2fwu s SER 654 Cb -0.21 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 61.94 2fwu s SER 654 CO -0.04 -0.25 -0.01 0.28 1.20 0.00 0.00 173.24 174.42 2fwu s THR 655 N 1.72 4.13 0.01 6.45 -1.32 -1.26 -5.07 115.64 120.29 2fwu s THR 655 Ca 0.06 -0.28 -0.27 0.00 -1.21 0.00 0.00 61.69 59.99 2fwu s THR 655 Cb -0.17 -2.81 -0.04 0.00 -1.51 0.00 0.00 72.50 67.97 2fwu s THR 655 CO 0.10 0.51 0.84 0.54 -2.21 0.00 0.00 174.62 174.40 2fwu s VAL 656 N 0.13 4.83 -0.52 5.08 0.11 -1.26 -4.36 120.40 124.42 2fwu s VAL 656 Ca 0.00 1.77 0.04 0.00 -2.93 0.00 0.00 61.98 60.86 2fwu s VAL 656 Cb -0.13 -4.18 0.03 0.00 -1.53 0.00 0.00 36.38 30.57 2fwu s VAL 656 CO 0.02 0.27 0.63 -0.67 -3.33 0.00 0.00 175.10 172.02