#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwx s LEU 513 N 0.00 3.01 0.49 9.51 1.43 -1.26 -5.09 118.68 126.77 2dwx s LEU 513 Ca 0.00 -0.63 -0.24 0.00 -1.03 0.00 0.00 54.13 52.23 2dwx s LEU 513 Cb 0.00 -1.64 -0.07 0.00 0.03 0.00 0.00 46.19 44.51 2dwx s LEU 513 CO 0.00 0.07 1.40 -2.65 0.23 0.00 0.00 176.35 175.40 2dwx n PRO 514 N -0.27 2.02 -3.88 1.29 -0.02 -1.26 -4.84 135.00 128.04 2dwx n PRO 514 Ca -0.09 0.73 -0.35 0.00 -2.02 0.00 0.00 63.50 61.76 2dwx n PRO 514 Cb 0.57 -2.60 -0.14 0.00 -0.02 0.00 0.00 33.50 31.31 2dwx n PRO 514 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dwx s VAL 515 N -1.23 3.48 -0.34 -1.45 1.01 -0.62 -4.91 120.40 116.34 2dwx s VAL 515 Ca 0.65 -0.54 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 2dwx s VAL 515 Cb -0.44 -2.64 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 2dwx s VAL 515 CO 0.54 0.35 2.21 -0.89 0.00 0.00 0.00 175.10 177.31 2dwx s THR 516 N 1.48 3.08 0.02 3.92 2.01 -1.26 -0.47 115.64 124.42 2dwx s THR 516 Ca 0.05 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.14 2dwx s THR 516 Cb -0.15 -3.14 -0.25 0.00 0.01 0.00 0.00 72.50 68.97 2dwx s THR 516 CO -0.02 -0.11 0.90 0.58 -0.69 0.00 0.00 174.62 175.28 2dwx h VAL 517 N 7.28 1.21 -2.78 3.82 2.07 -1.18 -3.48 116.25 123.19 2dwx h VAL 517 Ca -0.34 -2.91 -0.15 0.00 0.82 0.00 0.00 66.70 64.13 2dwx h VAL 517 Cb 1.24 2.71 -0.28 0.00 -1.52 0.00 0.00 31.29 33.44 2dwx h VAL 517 CO 1.05 0.79 -0.38 -0.47 0.02 0.00 0.00 177.57 178.58 2dwx s TYR 518 N -2.63 -0.51 -0.42 1.57 5.04 -0.56 -4.96 117.35 114.89 2dwx s TYR 518 Ca -0.06 1.10 0.06 0.00 -2.44 0.00 0.00 57.07 55.73 2dwx s TYR 518 Cb 0.08 0.18 0.20 0.00 0.35 0.00 0.00 41.96 42.76 2dwx s TYR 518 CO 0.84 -0.31 0.47 -3.47 -1.34 0.00 0.00 175.55 171.74 2dwx n ASP 519 N 4.34 -0.87 -4.03 4.32 4.64 -1.24 -1.13 116.55 122.57 2dwx n ASP 519 Ca -0.23 -2.58 -0.13 0.00 -1.38 0.00 0.00 54.79 50.47 2dwx n ASP 519 Cb 0.54 -0.12 -0.12 0.00 -1.04 0.00 0.00 41.12 40.38 2dwx n ASP 519 CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 2dwx s GLN 520 N -0.11 0.47 -0.36 -0.67 -0.21 -1.05 -4.84 119.66 112.89 2dwx s GLN 520 Ca 0.33 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 55.07 2dwx s GLN 520 Cb 0.08 -0.24 0.00 0.00 1.00 0.00 0.00 33.01 33.85 2dwx s GLN 520 CO -0.16 0.04 0.00 0.72 -2.12 0.00 0.00 175.29 173.77 2dwx n HIS 521 N 1.73 0.00 -0.45 0.91 8.25 -1.26 -1.30 115.22 123.10 2dwx n HIS 521 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 2dwx n HIS 521 Cb 0.55 -1.80 0.00 0.00 1.12 0.00 0.00 29.99 29.86 2dwx n HIS 521 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dwx n GLY 522 N -0.16 0.77 3.32 -1.41 0.00 -1.26 -4.48 105.19 101.97 2dwx n GLY 522 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 2dwx n GLY 522 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dwx s PHE 523 N -2.12 3.25 -0.01 1.61 5.99 -0.42 -0.30 117.98 125.99 2dwx s PHE 523 Ca 0.00 -1.23 0.01 0.00 0.00 0.00 0.00 56.93 55.71 2dwx s PHE 523 Cb 0.00 -2.38 -0.04 0.00 0.00 0.00 0.00 43.02 40.60 2dwx s PHE 523 CO 0.00 -0.70 0.03 1.03 -0.00 0.00 0.00 175.22 175.58 2dwx s ARG 524 N 1.47 2.88 -0.21 10.12 0.52 -0.43 -2.51 118.95 130.78 2dwx s ARG 524 Ca 0.00 -0.56 -0.04 0.00 -0.52 0.00 0.00 55.73 54.60 2dwx s ARG 524 Cb -0.20 -2.73 0.08 0.00 0.52 0.00 0.00 34.95 32.62 2dwx s ARG 524 CO 0.05 0.63 0.13 0.42 0.02 0.00 0.00 175.30 176.55 2dwx s ILE 525 N -1.11 -0.13 0.30 1.52 1.01 -0.29 -1.90 121.20 120.60 2dwx s ILE 525 Ca 0.20 -0.33 0.08 0.00 0.00 0.00 0.00 60.65 60.60 2dwx s ILE 525 Cb -0.12 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 2dwx s ILE 525 CO 0.11 -0.40 0.15 -0.76 0.00 0.00 0.00 174.94 174.04 2dwx s LEU 526 N 2.16 3.45 -0.15 2.97 1.43 -0.84 -0.57 118.68 127.14 2dwx s LEU 526 Ca 0.05 -0.55 -0.03 0.00 -1.03 0.00 0.00 54.13 52.57 2dwx s LEU 526 Cb -0.16 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 2dwx s LEU 526 CO -0.18 -0.16 -0.04 -0.36 0.23 0.00 0.00 176.35 175.84 2dwx s PHE 527 N -2.30 3.02 -0.19 0.29 0.40 0.38 -1.74 117.98 117.84 2dwx s PHE 527 Ca 0.35 -0.27 0.01 0.00 -0.60 0.00 0.00 56.93 56.42 2dwx s PHE 527 Cb -0.06 -1.94 0.03 0.00 0.51 0.00 0.00 43.02 41.57 2dwx s PHE 527 CO 0.23 -0.00 -0.13 -1.01 0.70 0.00 0.00 175.22 175.01 2dwx s HIS 528 N 0.25 2.55 -0.12 0.36 3.76 0.14 -1.58 115.29 120.65 2dwx s HIS 528 Ca -0.03 -1.61 -0.18 0.00 -0.15 0.00 0.00 55.06 53.09 2dwx s HIS 528 Cb -0.14 -1.73 -0.04 0.00 1.11 0.00 0.00 32.58 31.78 2dwx s HIS 528 CO 0.03 -0.76 0.47 -0.06 -0.85 0.00 0.00 174.74 173.57 2dwx s PHE 529 N 1.36 3.51 0.00 1.40 0.40 -1.26 0.05 117.98 123.43 2dwx s PHE 529 Ca 0.01 0.88 0.00 0.00 -0.60 0.00 0.00 56.93 57.21 2dwx s PHE 529 Cb -0.15 -2.54 0.00 0.00 0.51 0.00 0.00 43.02 40.83 2dwx s PHE 529 CO -0.09 0.17 0.00 0.00 0.70 0.00 0.00 175.22 175.99 2dwx n ALA 530 N 3.69 0.00 0.00 5.36 0.00 -0.03 -4.89 120.51 124.64 2dwx n ALA 530 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2dwx n ALA 530 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2dwx n ALA 530 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2dwx n ARG 531 N 0.00 0.00 -1.95 0.00 0.63 -1.26 -4.50 116.66 109.58 2dwx n ARG 531 Ca 0.00 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.51 2dwx n ARG 531 Cb 0.00 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 32.88 2dwx n ARG 531 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2dwx s ASP 532 N 0.00 6.63 0.46 6.15 3.68 -1.26 -4.89 116.67 127.44 2dwx s ASP 532 Ca 0.00 2.38 0.13 0.00 2.13 0.00 0.00 52.55 57.19 2dwx s ASP 532 Cb 0.00 -2.55 1.08 0.00 -1.45 0.00 0.00 42.92 40.00 2dwx s ASP 532 CO 0.00 -0.91 2.06 1.55 0.13 0.00 0.00 175.17 177.99 2dwx h PRO 533 N 9.09 0.29 0.00 4.34 0.13 -2.03 -3.43 132.00 140.40 2dwx h PRO 533 Ca -0.42 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2dwx h PRO 533 Cb 1.19 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2dwx h PRO 533 CO 0.94 0.19 0.00 1.28 -0.23 0.00 0.00 178.00 180.18 2dwx n LEU 534 N -4.48 0.00 -4.78 1.56 4.77 -1.26 -5.05 117.00 107.76 2dwx n LEU 534 Ca 0.04 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.64 2dwx n LEU 534 Cb 0.21 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 2dwx n LEU 534 CO 0.35 -0.18 0.56 -2.16 -1.33 0.00 0.00 177.39 174.63 2dwx s PRO 535 N -0.17 4.57 0.00 3.23 0.04 -1.26 -5.04 135.00 136.36 2dwx s PRO 535 Ca 0.00 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.26 2dwx s PRO 535 Cb 0.00 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.50 2dwx s PRO 535 CO 0.00 0.43 0.00 0.41 0.04 0.00 0.00 177.00 177.88 2dwx n GLY 536 N 1.07 2.46 3.73 0.56 0.00 -1.26 -5.07 105.19 106.68 2dwx n GLY 536 Ca -0.02 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 2dwx n GLY 536 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2dwx s ARG 537 N -1.34 4.45 0.32 1.61 6.06 -1.26 -4.92 118.95 123.87 2dwx s ARG 537 Ca 0.00 1.90 0.11 0.00 -2.50 0.00 0.00 55.73 55.24 2dwx s ARG 537 Cb 0.00 -3.26 1.02 0.00 0.06 0.00 0.00 34.95 32.77 2dwx s ARG 537 CO 0.00 -0.19 1.49 0.45 -2.50 0.00 0.00 175.30 174.56 2dwx n SER 538 N 3.00 0.12 -3.83 -2.12 2.88 -1.26 -2.55 113.62 109.87 2dwx n SER 538 Ca 0.06 1.59 -0.28 0.00 -1.33 0.00 0.00 58.87 58.91 2dwx n SER 538 Cb 0.45 -0.68 -0.12 0.00 -0.75 0.00 0.00 64.21 63.10 2dwx n SER 538 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2dwx s ASP 539 N -4.77 4.19 -0.49 -3.46 -0.00 -1.26 -2.85 116.67 108.03 2dwx s ASP 539 Ca -0.10 -3.48 0.08 0.00 -0.00 0.00 0.00 52.55 49.04 2dwx s ASP 539 Cb 0.30 -1.42 0.30 0.00 -0.00 0.00 0.00 42.92 42.10 2dwx s ASP 539 CO 0.74 -0.14 0.74 1.33 -0.00 0.00 0.00 175.17 177.84 2dwx n VAL 540 N 2.44 1.12 -1.70 -1.27 0.24 -1.06 -3.85 118.33 114.26 2dwx n VAL 540 Ca 0.17 -4.86 -0.61 0.00 -2.04 0.00 0.00 64.34 57.00 2dwx n VAL 540 Cb 0.36 -1.35 -0.08 0.00 -1.47 0.00 0.00 33.84 31.29 2dwx n VAL 540 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2dwx n LEU 541 N 0.52 1.63 -4.69 1.34 7.94 -1.25 -4.51 117.00 117.99 2dwx n LEU 541 Ca 0.27 1.13 -0.41 0.00 -1.11 0.00 0.00 56.01 55.89 2dwx n LEU 541 Cb 0.50 -1.02 -0.04 0.00 0.53 0.00 0.00 43.42 43.40 2dwx n LEU 541 CO 0.28 -0.79 0.59 -0.69 -1.11 0.00 0.00 177.39 175.67 2dwx s VAL 542 N 2.73 4.91 -0.23 1.96 1.01 -1.26 -2.68 120.40 126.83 2dwx s VAL 542 Ca 0.99 1.68 0.02 0.00 0.00 0.00 0.00 61.98 64.67 2dwx s VAL 542 Cb -1.25 -4.15 0.04 0.00 0.00 0.00 0.00 36.38 31.02 2dwx s VAL 542 CO 0.70 0.09 -0.14 -0.69 0.00 0.00 0.00 175.10 175.05 2dwx s VAL 543 N 1.74 2.09 -0.43 2.92 1.01 -0.89 -0.85 120.40 125.99 2dwx s VAL 543 Ca 0.40 -1.34 -0.17 0.00 0.00 0.00 0.00 61.98 60.88 2dwx s VAL 543 Cb -0.17 -2.09 0.03 0.00 0.00 0.00 0.00 36.38 34.15 2dwx s VAL 543 CO 0.16 0.20 0.41 -0.69 0.00 0.00 0.00 175.10 175.17 2dwx s VAL 544 N 1.19 5.14 -0.18 2.92 1.01 0.11 -2.00 120.40 128.58 2dwx s VAL 544 Ca -0.03 -0.53 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 2dwx s VAL 544 Cb -0.17 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.15 2dwx s VAL 544 CO -0.08 -0.44 0.70 0.54 0.00 0.00 0.00 175.10 175.82 2dwx s VAL 545 N 1.98 4.98 -0.17 2.92 0.11 -0.86 0.27 120.40 129.63 2dwx s VAL 545 Ca 0.09 1.35 -0.03 0.00 -2.93 0.00 0.00 61.98 60.46 2dwx s VAL 545 Cb -0.19 -4.01 -0.02 0.00 -1.53 0.00 0.00 36.38 30.63 2dwx s VAL 545 CO 0.12 0.09 -0.07 -0.55 -3.33 0.00 0.00 175.10 171.36 2dwx s SER 546 N 1.15 4.39 -0.12 3.54 0.15 -0.71 -1.53 113.70 120.58 2dwx s SER 546 Ca 0.32 -0.27 0.03 0.00 0.70 0.00 0.00 55.95 56.73 2dwx s SER 546 Cb -0.16 -1.71 0.01 0.00 -1.71 0.00 0.00 66.02 62.44 2dwx s SER 546 CO 0.11 0.11 -0.21 -0.04 1.20 0.00 0.00 173.24 174.41 2dwx s MET 547 N 0.68 2.88 0.10 5.44 -1.94 0.41 -1.98 119.30 124.88 2dwx s MET 547 Ca -0.04 -0.81 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 2dwx s MET 547 Cb -0.15 -2.28 -0.04 0.00 2.01 0.00 0.00 34.83 34.37 2dwx s MET 547 CO 0.02 0.05 -0.08 -0.51 -0.01 0.00 0.00 175.02 174.49 2dwx s LEU 548 N 0.67 2.47 -0.02 -0.03 1.02 -0.80 -1.54 118.68 120.46 2dwx s LEU 548 Ca -0.11 -0.93 0.02 0.00 0.02 0.00 0.00 54.13 53.13 2dwx s LEU 548 Cb -0.16 -0.14 0.00 0.00 0.02 0.00 0.00 46.19 45.91 2dwx s LEU 548 CO 0.02 -0.39 -0.07 -0.55 0.02 0.00 0.00 176.35 175.37 2dwx s SER 549 N -2.80 0.99 0.00 2.29 0.15 -1.26 -1.32 113.70 111.75 2dwx s SER 549 Ca 0.09 -0.15 0.07 0.00 0.70 0.00 0.00 55.95 56.66 2dwx s SER 549 Cb 0.02 -0.23 0.18 0.00 -1.71 0.00 0.00 66.02 64.28 2dwx s SER 549 CO -0.03 0.06 1.09 0.41 1.20 0.00 0.00 173.24 175.97 2dwx n THR 550 N 3.23 0.83 -2.52 6.45 -1.04 0.59 -4.61 114.28 117.21 2dwx n THR 550 Ca -0.17 -0.91 -0.38 0.00 -2.04 0.00 0.00 64.05 60.55 2dwx n THR 550 Cb 0.55 0.61 -0.04 0.00 -1.82 0.00 0.00 70.33 69.63 2dwx n THR 550 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dwx s ALA 551 N -0.93 3.17 -2.00 2.41 0.00 -1.26 -4.57 121.76 118.58 2dwx s ALA 551 Ca 0.14 0.75 0.27 0.00 0.00 0.00 0.00 51.96 53.13 2dwx s ALA 551 Cb 0.08 -3.29 1.62 0.00 0.00 0.00 0.00 23.12 21.53 2dwx s ALA 551 CO 0.10 -0.20 1.97 -0.35 0.00 0.00 0.00 175.76 177.28 2dwx n PRO 552 N 0.27 0.85 -4.39 0.00 -0.04 -1.26 0.90 135.00 131.34 2dwx n PRO 552 Ca 0.03 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.25 2dwx n PRO 552 Cb 0.48 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 2dwx n PRO 552 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2dwx s GLN 553 N -2.00 1.44 1.05 0.54 -0.21 -1.26 -4.67 119.66 114.55 2dwx s GLN 553 Ca 0.41 -1.53 -0.12 0.00 0.02 0.00 0.00 55.36 54.14 2dwx s GLN 553 Cb 0.19 -1.60 0.22 0.00 1.00 0.00 0.00 33.01 32.82 2dwx s GLN 553 CO 0.31 0.33 1.07 -2.14 -2.12 0.00 0.00 175.29 172.74 2dwx s PRO 554 N -2.92 0.00 -0.08 2.91 0.02 -1.26 -3.97 135.00 129.70 2dwx s PRO 554 Ca 0.21 0.77 -0.03 0.00 0.02 0.00 0.00 61.00 61.97 2dwx s PRO 554 Cb -0.06 -1.67 0.04 0.00 0.02 0.00 0.00 34.50 32.84 2dwx s PRO 554 CO 0.09 -3.09 0.15 0.42 -0.33 0.00 0.00 177.00 174.25 2dwx s ILE 555 N -2.72 -0.20 0.18 2.83 1.01 -0.01 -4.57 121.20 117.72 2dwx s ILE 555 Ca 0.66 0.31 0.03 0.00 0.00 0.00 0.00 60.65 61.65 2dwx s ILE 555 Cb -0.21 -0.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.97 2dwx s ILE 555 CO 0.61 0.13 0.13 -2.11 0.00 0.00 0.00 174.94 173.69 2dwx n ARG 556 N 4.99 0.36 -3.82 2.79 0.00 -0.87 0.27 116.66 120.39 2dwx n ARG 556 Ca -0.11 -1.73 -0.24 0.00 -0.00 0.00 0.00 57.85 55.77 2dwx n ARG 556 Cb 0.50 1.28 0.01 0.00 -0.00 0.00 0.00 32.46 34.26 2dwx n ARG 556 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2dwx n ASN 557 N -2.17 -1.49 -4.55 2.89 3.02 -0.66 -0.43 115.26 111.87 2dwx n ASN 557 Ca 0.02 -0.87 -0.43 0.00 -0.03 0.00 0.00 54.58 53.27 2dwx n ASN 557 Cb 0.31 -3.72 -0.05 0.00 -0.61 0.00 0.00 39.78 35.71 2dwx n ASN 557 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2dwx s ILE 558 N -3.69 4.68 -0.09 2.41 1.01 -0.80 -3.30 121.20 121.43 2dwx s ILE 558 Ca 0.12 0.46 0.04 0.00 0.00 0.00 0.00 60.65 61.27 2dwx s ILE 558 Cb -0.06 -4.29 -0.01 0.00 0.01 0.00 0.00 42.46 38.11 2dwx s ILE 558 CO 0.84 -0.66 -0.23 -0.69 0.00 0.00 0.00 174.94 174.20 2dwx s VAL 559 N 3.21 2.21 -0.07 2.92 1.01 -0.78 -4.79 120.40 124.11 2dwx s VAL 559 Ca 0.29 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.34 2dwx s VAL 559 Cb -0.12 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 2dwx s VAL 559 CO 0.21 0.56 -0.24 0.12 0.00 0.00 0.00 175.10 175.75 2dwx s PHE 560 N 0.12 2.47 0.24 5.22 5.36 -1.26 -1.05 117.98 129.08 2dwx s PHE 560 Ca -0.11 -0.85 0.04 0.00 -0.96 0.00 0.00 56.93 55.04 2dwx s PHE 560 Cb -0.16 -1.63 -0.05 0.00 -0.34 0.00 0.00 43.02 40.84 2dwx s PHE 560 CO 0.06 -0.30 -0.00 -0.65 -1.46 0.00 0.00 175.22 172.87 2dwx s GLN 561 N 0.04 1.38 1.02 10.12 -0.21 -0.84 -4.96 119.66 126.20 2dwx s GLN 561 Ca -0.10 -1.70 -0.17 0.00 0.02 0.00 0.00 55.36 53.41 2dwx s GLN 561 Cb -0.15 -0.68 0.22 0.00 1.00 0.00 0.00 33.01 33.40 2dwx s GLN 561 CO 0.06 -0.09 1.26 -1.54 -2.12 0.00 0.00 175.29 172.86 2dwx s SER 562 N -3.33 2.63 0.00 5.90 1.04 -1.26 -2.55 113.70 116.13 2dwx s SER 562 Ca 0.29 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.11 2dwx s SER 562 Cb 0.06 -0.50 0.00 0.00 0.10 0.00 0.00 66.02 65.67 2dwx s SER 562 CO 0.10 -3.04 0.00 0.00 0.98 0.00 0.00 173.24 171.27 2dwx n ALA 563 N -4.00 0.00 -0.40 5.32 0.00 -1.25 -4.07 120.51 116.11 2dwx n ALA 563 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2dwx n ALA 563 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2dwx n ALA 563 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dwx n VAL 564 N 0.00 0.00 0.00 0.00 0.31 -1.26 -4.38 118.33 113.00 2dwx n VAL 564 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2dwx n VAL 564 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2dwx n VAL 564 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2dwx n VAL 570 N -2.00 0.00 -1.78 2.52 3.14 -1.26 -5.11 118.33 113.84 2dwx n VAL 570 Ca 0.00 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.98 2dwx n VAL 570 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.75 2dwx n VAL 570 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 2dwx s LYS 571 N 0.00 2.74 -0.08 1.45 2.36 -1.20 -4.80 119.74 120.22 2dwx s LYS 571 Ca 0.00 1.38 -0.01 0.00 -2.55 0.00 0.00 55.97 54.78 2dwx s LYS 571 Cb 0.00 -4.40 -0.03 0.00 -1.05 0.00 0.00 37.83 32.35 2dwx s LYS 571 CO 0.00 -2.55 -0.00 -1.17 1.55 0.00 0.00 175.35 173.17 2dwx s LEU 572 N 9.36 3.55 0.48 5.43 0.20 -1.26 -1.25 118.68 135.19 2dwx s LEU 572 Ca 0.87 0.12 0.06 0.00 0.69 0.00 0.00 54.13 55.87 2dwx s LEU 572 Cb -0.21 -1.83 0.03 0.00 -0.43 0.00 0.00 46.19 43.75 2dwx s LEU 572 CO 0.29 0.37 0.66 -1.10 -0.29 0.00 0.00 176.35 176.28 2dwx s GLN 573 N -0.95 2.66 0.28 1.98 -1.52 0.92 -4.99 119.66 118.06 2dwx s GLN 573 Ca 0.14 -1.14 -0.19 0.00 -1.95 0.00 0.00 55.36 52.22 2dwx s GLN 573 Cb -0.11 -2.66 -0.09 0.00 -0.22 0.00 0.00 33.01 29.93 2dwx s GLN 573 CO 0.03 -0.49 0.77 -1.25 -0.25 0.00 0.00 175.29 174.10 2dwx s PRO 574 N -4.52 4.19 1.13 2.91 0.05 -1.26 -4.60 135.00 132.91 2dwx s PRO 574 Ca 0.57 0.86 -0.17 0.00 0.05 0.00 0.00 61.00 62.30 2dwx s PRO 574 Cb -0.10 -2.66 0.26 0.00 0.05 0.00 0.00 34.50 32.05 2dwx s PRO 574 CO 0.35 0.27 1.12 -1.25 0.05 0.00 0.00 177.00 177.54 2dwx s PRO 575 N -2.43 -0.68 0.28 0.56 0.04 -1.26 -4.67 135.00 126.83 2dwx s PRO 575 Ca 0.49 0.02 0.15 0.00 0.04 0.00 0.00 61.00 61.70 2dwx s PRO 575 Cb -0.14 -1.65 0.19 0.00 0.04 0.00 0.00 34.50 32.94 2dwx s PRO 575 CO 0.19 -3.37 1.50 0.66 0.04 0.00 0.00 177.00 176.02 2dwx h SER 576 N -2.34 0.00 -2.19 6.66 4.64 -1.56 -3.49 113.55 115.28 2dwx h SER 576 Ca -0.47 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 60.99 2dwx h SER 576 Cb 1.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 2dwx h SER 576 CO 0.40 0.55 0.51 0.61 -0.87 0.00 0.00 176.83 178.03 2dwx n GLY 577 N 0.97 0.69 0.00 -0.77 0.00 -1.26 -5.00 105.19 99.81 2dwx n GLY 577 Ca 0.01 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2dwx n GLY 577 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2dwx n THR 578 N -0.61 0.50 -3.90 2.61 -1.04 -1.26 -4.94 114.28 105.63 2dwx n THR 578 Ca -0.01 -0.68 -0.08 0.00 -2.04 0.00 0.00 64.05 61.23 2dwx n THR 578 Cb 0.48 0.81 -0.02 0.00 -1.82 0.00 0.00 70.33 69.78 2dwx n THR 578 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2dwx s GLU 579 N -0.50 1.79 -0.11 -2.82 -1.05 -1.26 -1.65 118.70 113.09 2dwx s GLU 579 Ca 0.00 -1.16 -0.09 0.00 -0.15 0.00 0.00 54.97 53.57 2dwx s GLU 579 Cb 0.00 0.57 0.03 0.00 -0.44 0.00 0.00 34.13 34.29 2dwx s GLU 579 CO 0.00 -0.80 0.29 -0.51 0.95 0.00 0.00 175.26 175.20 2dwx s LEU 580 N -2.98 0.74 0.86 1.83 1.43 0.14 -4.91 118.68 115.79 2dwx s LEU 580 Ca 0.16 0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 53.74 2dwx s LEU 580 Cb -0.04 0.99 0.11 0.00 0.03 0.00 0.00 46.19 47.28 2dwx s LEU 580 CO 0.09 -0.12 1.11 -2.16 0.23 0.00 0.00 176.35 175.50 2dwx s PRO 581 N 0.40 1.55 0.68 1.29 0.04 -1.26 -0.83 135.00 136.86 2dwx s PRO 581 Ca -0.02 0.55 -0.16 0.00 0.04 0.00 0.00 61.00 61.41 2dwx s PRO 581 Cb -0.04 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.65 2dwx s PRO 581 CO -0.02 -1.97 1.19 0.00 0.04 0.00 0.00 177.00 176.24 2dwx s ALA 582 N -3.15 2.29 -0.10 8.56 0.00 -1.26 -4.67 121.76 123.44 2dwx s ALA 582 Ca 0.62 0.86 -0.29 0.00 0.00 0.00 0.00 51.96 53.15 2dwx s ALA 582 Cb -0.15 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 2dwx s ALA 582 CO 0.55 -1.59 1.95 0.12 0.00 0.00 0.00 175.76 176.78 2dwx s PHE 583 N -1.94 1.46 -0.41 0.00 5.99 0.26 -4.90 117.98 118.45 2dwx s PHE 583 Ca 0.74 0.10 0.04 0.00 0.00 0.00 0.00 56.93 57.81 2dwx s PHE 583 Cb -0.28 -4.07 0.17 0.00 0.00 0.00 0.00 43.02 38.83 2dwx s PHE 583 CO 0.41 -4.45 0.45 1.21 -0.00 0.00 0.00 175.22 172.84 2dwx s ASN 584 N 5.51 0.49 0.43 6.13 3.84 -1.26 -4.93 114.94 125.15 2dwx s ASN 584 Ca 0.88 -1.76 0.14 0.00 0.21 0.00 0.00 52.86 52.33 2dwx s ASN 584 Cb -0.35 0.77 0.94 0.00 -0.55 0.00 0.00 41.25 42.06 2dwx s ASN 584 CO 0.36 -0.20 1.95 1.55 -2.79 0.00 0.00 177.10 177.97 2dwx h PRO 585 N 6.50 0.00 0.00 0.43 0.13 -1.90 0.29 132.00 137.44 2dwx h PRO 585 Ca 0.09 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.16 2dwx h PRO 585 Cb 1.06 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2dwx h PRO 585 CO 0.18 0.23 -0.38 0.82 -0.23 0.00 0.00 178.00 178.62 2dwx h ILE 586 N 0.00 0.83 -0.01 -3.56 2.04 -1.98 -3.26 117.51 111.57 2dwx h ILE 586 Ca -0.00 -1.73 -0.04 0.00 1.00 0.00 0.00 64.86 64.08 2dwx h ILE 586 Cb 0.40 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 2dwx h ILE 586 CO 0.03 0.28 -0.17 0.58 0.00 0.00 0.00 178.15 178.87 2dwx h VAL 587 N -1.00 1.55 -2.15 1.67 2.07 -2.00 -3.40 116.25 112.99 2dwx h VAL 587 Ca -0.08 -1.85 -0.54 0.00 0.82 0.00 0.00 66.70 65.05 2dwx h VAL 587 Cb 0.73 2.72 -0.41 0.00 -1.52 0.00 0.00 31.29 32.81 2dwx h VAL 587 CO -0.05 0.50 -0.90 1.41 0.02 0.00 0.00 177.57 178.55 2dwx n HIS 588 N -4.58 2.25 -1.79 1.57 8.25 0.08 -5.09 115.22 115.90 2dwx n HIS 588 Ca -0.09 -3.92 -0.41 0.00 -0.26 0.00 0.00 57.72 53.04 2dwx n HIS 588 Cb 0.45 -0.46 -0.01 0.00 1.12 0.00 0.00 29.99 31.10 2dwx n HIS 588 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2dwx s PRO 589 N -2.99 4.11 0.08 -0.41 0.04 -1.14 -4.60 135.00 130.09 2dwx s PRO 589 Ca 0.45 2.58 -0.12 0.00 0.04 0.00 0.00 61.00 63.95 2dwx s PRO 589 Cb 0.31 -2.98 0.01 0.00 0.04 0.00 0.00 34.50 31.88 2dwx s PRO 589 CO -0.11 -0.56 0.26 -1.12 0.04 0.00 0.00 177.00 175.51 2dwx s SER 590 N 0.04 -0.02 -0.29 6.66 0.01 -1.26 -5.08 113.70 113.76 2dwx s SER 590 Ca 0.56 -0.43 -0.18 0.00 1.31 0.00 0.00 55.95 57.20 2dwx s SER 590 Cb -0.47 0.37 0.14 0.00 0.21 0.00 0.00 66.02 66.27 2dwx s SER 590 CO 0.59 -0.71 1.01 0.00 0.41 0.00 0.00 173.24 174.54 2dwx s ALA 591 N -3.37 -2.21 -0.13 1.44 0.00 -1.26 -4.77 121.76 111.46 2dwx s ALA 591 Ca 0.01 2.10 -0.05 0.00 0.00 0.00 0.00 51.96 54.02 2dwx s ALA 591 Cb 0.02 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.45 2dwx s ALA 591 CO -0.08 -0.31 0.05 0.42 0.00 0.00 0.00 175.76 175.84 2dwx s ILE 592 N 1.02 4.73 -0.03 0.00 1.01 -0.59 -4.89 121.20 122.45 2dwx s ILE 592 Ca -0.06 -0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.57 2dwx s ILE 592 Cb -0.04 -3.06 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 2dwx s ILE 592 CO -0.13 0.55 -0.16 -0.89 0.00 0.00 0.00 174.94 174.31 2dwx s THR 593 N -0.37 1.34 -0.12 2.92 2.01 -1.26 -0.44 115.64 119.72 2dwx s THR 593 Ca 0.09 -0.69 -0.07 0.00 0.31 0.00 0.00 61.69 61.33 2dwx s THR 593 Cb -0.12 -1.15 0.05 0.00 0.01 0.00 0.00 72.50 71.29 2dwx s THR 593 CO 0.02 0.39 0.29 -1.58 -0.69 0.00 0.00 174.62 173.04 2dwx s GLN 594 N -0.10 0.27 -0.15 4.92 0.74 -0.58 -1.28 119.66 123.48 2dwx s GLN 594 Ca -0.00 0.56 -0.09 0.00 0.05 0.00 0.00 55.36 55.88 2dwx s GLN 594 Cb -0.10 -0.04 -0.04 0.00 1.10 0.00 0.00 33.01 33.93 2dwx s GLN 594 CO 0.01 -0.14 0.15 0.08 -0.55 0.00 0.00 175.29 174.84 2dwx s VAL 595 N 1.06 5.45 -0.10 1.34 1.01 -1.26 -2.03 120.40 125.87 2dwx s VAL 595 Ca -0.07 0.23 0.02 0.00 0.00 0.00 0.00 61.98 62.16 2dwx s VAL 595 Cb -0.08 -3.45 0.01 0.00 0.00 0.00 0.00 36.38 32.86 2dwx s VAL 595 CO -0.08 0.53 -0.16 -1.48 0.00 0.00 0.00 175.10 173.92 2dwx s LEU 596 N -0.39 1.76 0.61 3.92 2.34 -0.85 -0.05 118.68 126.03 2dwx s LEU 596 Ca 0.12 -0.42 -0.02 0.00 0.06 0.00 0.00 54.13 53.87 2dwx s LEU 596 Cb -0.12 -1.09 0.04 0.00 -0.56 0.00 0.00 46.19 44.47 2dwx s LEU 596 CO 0.02 0.04 0.88 -0.76 -1.06 0.00 0.00 176.35 175.46 2dwx s LEU 597 N 0.83 3.09 0.05 1.48 1.02 -0.38 -2.10 118.68 122.68 2dwx s LEU 597 Ca -0.10 0.23 -0.02 0.00 0.02 0.00 0.00 54.13 54.26 2dwx s LEU 597 Cb -0.16 -3.01 -0.04 0.00 0.02 0.00 0.00 46.19 43.01 2dwx s LEU 597 CO 0.01 -1.31 -0.01 -0.76 0.02 0.00 0.00 176.35 174.30 2dwx s LEU 598 N -4.97 2.39 0.45 1.79 1.02 -1.09 -3.23 118.68 115.04 2dwx s LEU 598 Ca 0.58 -0.98 0.03 0.00 0.02 0.00 0.00 54.13 53.78 2dwx s LEU 598 Cb -0.10 0.27 -0.02 0.00 0.02 0.00 0.00 46.19 46.36 2dwx s LEU 598 CO 0.41 -0.61 0.09 0.00 0.02 0.00 0.00 176.35 176.26 2dwx s ALA 599 N -3.92 3.39 0.00 4.21 0.00 -1.26 -3.83 121.76 120.36 2dwx s ALA 599 Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2dwx s ALA 599 Cb 0.08 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.71 2dwx s ALA 599 CO -0.10 -0.23 0.00 -1.71 0.00 0.00 0.00 175.76 173.72 2dwx n ASN 600 N -1.36 0.00 0.00 0.00 5.15 -1.25 -4.91 115.26 112.89 2dwx n ASN 600 Ca -0.11 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 2dwx n ASN 600 Cb 0.65 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.90 2dwx n ASN 600 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2dwx n PRO 601 N 0.00 0.00 -3.63 1.20 -0.04 -1.26 -4.99 135.00 126.28 2dwx n PRO 601 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.25 2dwx n PRO 601 Cb 0.00 -0.52 0.06 0.00 -0.04 0.00 0.00 33.50 33.00 2dwx n PRO 601 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2dwx n GLN 602 N -0.50 -6.03 -3.75 0.54 3.00 -1.26 -5.00 117.38 104.38 2dwx n GLN 602 Ca 0.00 0.72 -0.13 0.00 -0.01 0.00 0.00 57.00 57.58 2dwx n GLN 602 Cb 0.00 -5.56 -0.10 0.00 0.00 0.00 0.00 30.24 24.58 2dwx n GLN 602 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2dwx s LYS 603 N -5.92 0.44 0.18 -1.09 -2.85 -1.26 -5.13 119.74 104.11 2dwx s LYS 603 Ca 0.19 0.49 0.25 0.00 -1.00 0.00 0.00 55.97 55.90 2dwx s LYS 603 Cb -0.09 0.21 0.52 0.00 -2.06 0.00 0.00 37.83 36.42 2dwx s LYS 603 CO 0.78 -0.06 1.52 0.93 0.10 0.00 0.00 175.35 178.62 2dwx h GLU 604 N 5.50 0.00 0.00 1.78 5.08 -1.94 -3.46 114.58 121.53 2dwx h GLU 604 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2dwx h GLU 604 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2dwx h GLU 604 CO 0.28 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.83 2dwx n ARG 609 N -2.27 0.00 -2.46 2.33 1.74 -0.61 -4.38 116.66 111.01 2dwx n ARG 609 Ca 0.04 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.85 2dwx n ARG 609 Cb 0.45 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.90 2dwx n ARG 609 CO 0.00 0.00 0.00 1.52 -1.52 0.00 0.00 177.63 177.63 2dwx s TYR 610 N 0.00 3.47 -0.49 -1.55 1.13 -0.24 -3.78 117.35 115.88 2dwx s TYR 610 Ca 0.00 0.81 0.03 0.00 -1.41 0.00 0.00 57.07 56.51 2dwx s TYR 610 Cb 0.00 -2.50 0.13 0.00 -1.10 0.00 0.00 41.96 38.49 2dwx s TYR 610 CO 0.00 -0.51 0.25 0.15 -2.51 0.00 0.00 175.55 172.93 2dwx s LYS 611 N -4.88 1.76 -0.06 -3.49 -0.14 -1.06 -3.23 119.74 108.64 2dwx s LYS 611 Ca 0.50 -2.43 -0.20 0.00 -1.36 0.00 0.00 55.97 52.49 2dwx s LYS 611 Cb -0.10 -3.01 -0.05 0.00 -1.68 0.00 0.00 37.83 32.99 2dwx s LYS 611 CO 0.46 -1.12 0.56 -1.17 -0.76 0.00 0.00 175.35 173.32 2dwx s LEU 612 N -0.08 4.34 0.00 3.17 0.20 -0.61 -1.99 118.68 123.70 2dwx s LEU 612 Ca 0.17 1.02 0.03 0.00 0.69 0.00 0.00 54.13 56.04 2dwx s LEU 612 Cb -0.25 -2.85 -0.01 0.00 -0.43 0.00 0.00 46.19 42.64 2dwx s LEU 612 CO 0.00 0.02 -0.11 -0.89 -0.29 0.00 0.00 176.35 175.08 2dwx s THR 613 N 0.31 0.86 -0.12 3.68 2.01 -0.22 0.07 115.64 122.24 2dwx s THR 613 Ca 0.30 -0.58 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 2dwx s THR 613 Cb -0.17 -0.74 0.12 0.00 0.01 0.00 0.00 72.50 71.72 2dwx s THR 613 CO 0.14 0.16 0.99 0.72 -0.69 0.00 0.00 174.62 175.95 2dwx s PHE 614 N -0.41 -0.33 -0.05 4.92 -0.71 -1.11 -1.86 117.98 118.42 2dwx s PHE 614 Ca 0.03 0.45 0.01 0.00 -1.04 0.00 0.00 56.93 56.38 2dwx s PHE 614 Cb -0.05 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 2dwx s PHE 614 CO -0.00 -0.38 -0.05 0.99 -1.34 0.00 0.00 175.22 174.44 2dwx s THR 615 N -1.81 3.86 -0.43 -4.49 2.01 0.42 -1.17 115.64 114.03 2dwx s THR 615 Ca 0.01 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.58 2dwx s THR 615 Cb -0.01 -2.62 0.26 0.00 0.01 0.00 0.00 72.50 70.15 2dwx s THR 615 CO -0.02 0.54 0.74 0.80 -0.69 0.00 0.00 174.62 175.98 2dwx n MET 616 N 1.98 0.79 -1.49 4.92 0.00 0.12 -2.05 117.12 121.40 2dwx n MET 616 Ca -0.17 -2.54 0.00 0.00 0.00 0.00 0.00 57.70 54.98 2dwx n MET 616 Cb 0.53 -1.34 0.00 0.00 0.00 0.00 0.00 33.22 32.40 2dwx n MET 616 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2dwx n GLY 617 N 1.28 0.00 2.67 -5.12 0.00 -1.26 -3.48 105.19 99.28 2dwx n GLY 617 Ca 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 2dwx n GLY 617 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2dwx n ASP 618 N 1.88 -5.12 -3.55 1.61 5.75 -1.26 -4.94 116.55 110.92 2dwx n ASP 618 Ca 0.00 0.07 -0.07 0.00 -0.01 0.00 0.00 54.79 54.78 2dwx n ASP 618 Cb 0.00 -2.86 -0.08 0.00 -1.03 0.00 0.00 41.12 37.15 2dwx n ASP 618 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2dwx s GLN 619 N -1.79 0.37 0.13 0.11 -1.52 -1.23 -5.17 119.66 110.57 2dwx s GLN 619 Ca 0.00 0.97 0.06 0.00 -1.95 0.00 0.00 55.36 54.44 2dwx s GLN 619 Cb 0.00 0.23 -0.04 0.00 -0.22 0.00 0.00 33.01 32.98 2dwx s GLN 619 CO 0.00 -0.36 -0.01 0.99 -0.25 0.00 0.00 175.29 175.66 2dwx s THR 620 N 2.65 3.80 0.04 -0.19 2.01 -1.26 -0.70 115.64 121.97 2dwx s THR 620 Ca 0.03 -1.22 0.02 0.00 0.31 0.00 0.00 61.69 60.82 2dwx s THR 620 Cb -0.13 -2.85 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 2dwx s THR 620 CO -0.15 0.02 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.43 2dwx s TYR 621 N -1.48 0.56 -0.29 4.92 1.51 -0.31 -4.99 117.35 117.27 2dwx s TYR 621 Ca 0.26 -0.52 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 2dwx s TYR 621 Cb -0.11 -0.34 0.15 0.00 -0.11 0.00 0.00 41.96 41.55 2dwx s TYR 621 CO 0.18 -0.12 0.38 1.21 -1.11 0.00 0.00 175.55 176.09 2dwx s ASN 622 N -1.58 0.67 0.31 2.29 2.47 -1.26 -2.76 114.94 115.08 2dwx s ASN 622 Ca -0.11 -0.45 0.10 0.00 0.42 0.00 0.00 52.86 52.81 2dwx s ASN 622 Cb -0.10 0.97 -0.05 0.00 -1.45 0.00 0.00 41.25 40.63 2dwx s ASN 622 CO -0.00 -0.36 -0.02 -0.70 -3.72 0.00 0.00 177.10 172.30 2dwx s GLU 623 N 2.50 2.09 -0.10 0.43 2.56 0.11 -5.00 118.70 121.30 2dwx s GLU 623 Ca 0.10 -1.65 -0.22 0.00 0.00 0.00 0.00 54.97 53.19 2dwx s GLU 623 Cb -0.13 -1.98 0.05 0.00 2.00 0.00 0.00 34.13 34.07 2dwx s GLU 623 CO -0.30 0.23 0.53 1.41 -0.56 0.00 0.00 175.26 176.56 2dwx s MET 624 N -3.68 0.80 0.06 4.30 1.75 -1.26 -1.58 119.30 119.70 2dwx s MET 624 Ca 0.33 0.32 -0.27 0.00 -1.25 0.00 0.00 55.69 54.82 2dwx s MET 624 Cb -0.03 0.37 0.09 0.00 2.84 0.00 0.00 34.83 38.11 2dwx s MET 624 CO 0.19 -0.20 1.15 0.20 -0.65 0.00 0.00 175.02 175.71 2dwx s GLY 625 N -0.68 -0.28 -0.02 2.11 0.00 -1.20 -4.95 107.32 102.30 2dwx s GLY 625 Ca -0.08 0.34 0.05 0.00 0.00 0.00 0.00 44.72 45.04 2dwx s GLY 625 CO 0.05 0.67 -0.17 0.99 0.00 0.00 0.00 173.10 174.65 2dwx s ASP 626 N -3.07 3.86 -0.04 1.64 1.11 -1.26 -1.08 116.67 117.83 2dwx s ASP 626 Ca 0.15 -0.28 0.00 0.00 0.18 0.00 0.00 52.55 52.60 2dwx s ASP 626 Cb 0.02 -0.73 0.02 0.00 1.07 0.00 0.00 42.92 43.30 2dwx s ASP 626 CO -0.01 0.32 -0.02 -0.69 1.18 0.00 0.00 175.17 175.95 2dwx s VAL 627 N -0.77 0.40 0.00 -1.27 1.01 -1.26 -4.78 120.40 113.74 2dwx s VAL 627 Ca 0.12 -0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.18 2dwx s VAL 627 Cb -0.10 -0.47 0.15 0.00 0.00 0.00 0.00 36.38 35.95 2dwx s VAL 627 CO 0.02 0.21 1.03 -0.90 0.00 0.00 0.00 175.10 175.45 2dwx n ASP 628 N 4.28 0.31 -2.15 3.32 3.85 -1.26 -4.75 116.55 120.15 2dwx n ASP 628 Ca -0.22 -1.93 -0.24 0.00 -0.71 0.00 0.00 54.79 51.69 2dwx n ASP 628 Cb 0.51 -0.20 0.17 0.00 -1.35 0.00 0.00 41.12 40.25 2dwx n ASP 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2dwx n GLN 629 N 0.18 2.27 -0.84 0.11 3.00 -1.26 -4.94 117.38 115.90 2dwx n GLN 629 Ca 0.01 -3.07 -0.29 0.00 -0.01 0.00 0.00 57.00 53.64 2dwx n GLN 629 Cb 0.85 -2.16 0.19 0.00 0.00 0.00 0.00 30.24 29.12 2dwx n GLN 629 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 2dwx s PHE 630 N -3.36 1.77 0.08 1.08 0.40 -1.26 -4.92 117.98 111.77 2dwx s PHE 630 Ca 0.57 1.32 -0.19 0.00 -0.60 0.00 0.00 56.93 58.02 2dwx s PHE 630 Cb 0.48 -3.18 -0.07 0.00 0.51 0.00 0.00 43.02 40.76 2dwx s PHE 630 CO 0.09 -3.11 0.57 -1.25 0.70 0.00 0.00 175.22 172.21 2dwx s PRO 631 N -4.69 4.20 0.09 0.24 0.04 -1.26 -4.97 135.00 128.65 2dwx s PRO 631 Ca 0.66 0.74 -0.37 0.00 0.04 0.00 0.00 61.00 62.07 2dwx s PRO 631 Cb -0.22 -3.23 -0.17 0.00 0.04 0.00 0.00 34.50 30.93 2dwx s PRO 631 CO 0.60 0.63 1.30 -2.30 0.04 0.00 0.00 177.00 177.27 2dwx n PRO 632 N 1.68 1.05 0.08 0.56 -0.02 -1.26 -4.85 135.00 132.24 2dwx n PRO 632 Ca -0.10 0.38 0.08 0.00 -2.02 0.00 0.00 63.50 61.84 2dwx n PRO 632 Cb 0.51 -1.99 0.38 0.00 -0.02 0.00 0.00 33.50 32.37 2dwx n PRO 632 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2dwx n PRO 633 N 2.36 0.10 0.00 0.52 -0.04 -1.26 -1.63 135.00 135.05 2dwx n PRO 633 Ca 0.18 0.46 0.07 0.00 -0.04 0.00 0.00 63.50 64.17 2dwx n PRO 633 Cb 0.19 -1.74 0.33 0.00 -0.04 0.00 0.00 33.50 32.24 2dwx n PRO 633 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2dwx n GLU 634 N -1.93 0.08 -0.00 0.54 4.71 -1.26 -3.55 120.64 119.24 2dwx n GLU 634 Ca 0.01 0.21 0.01 0.00 -0.01 0.00 0.00 57.16 57.38 2dwx n GLU 634 Cb 0.12 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.04 2dwx n GLU 634 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 2dwx n THR 635 N -1.41 0.00 -0.47 2.62 5.66 -0.64 -4.74 114.28 115.29 2dwx n THR 635 Ca 0.05 -0.15 0.41 0.00 -3.05 0.00 0.00 64.05 61.31 2dwx n THR 635 Cb 0.15 0.62 0.76 0.00 -1.55 0.00 0.00 70.33 70.30 2dwx n THR 635 CO 0.00 0.00 0.00 -0.50 -3.05 0.00 0.00 175.07 171.52 2dwx h TRP 636 N 0.00 0.09 -2.12 1.09 4.06 -1.60 -0.14 115.95 117.33 2dwx h TRP 636 Ca 0.00 0.00 -0.79 0.00 2.06 0.00 0.00 58.89 60.17 2dwx h TRP 636 Cb 0.05 -0.02 -0.22 0.00 -1.00 0.00 0.00 29.16 27.96 2dwx h TRP 636 CO 0.00 -0.02 1.40 0.41 -3.56 0.00 0.00 178.44 176.67 2dwx n GLY 637 N -1.78 5.31 1.42 1.49 0.00 -1.13 -4.38 105.19 106.11 2dwx n GLY 637 Ca 0.34 -2.42 0.00 0.00 0.00 0.00 0.00 46.02 43.94 2dwx n GLY 637 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dwx n SER 638 N 1.66 -2.10 0.00 1.61 2.88 -0.07 -5.12 113.62 112.48 2dwx n SER 638 Ca 0.40 0.58 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 2dwx n SER 638 Cb 0.31 2.15 0.00 0.00 -0.75 0.00 0.00 64.21 65.92 2dwx n SER 638 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99