#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwy s ILE 512 N 0.00 4.64 0.36 -1.44 1.01 -1.26 -5.03 121.20 119.47 2dwy s ILE 512 Ca 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 2dwy s ILE 512 Cb 0.00 -4.54 -0.05 0.00 0.01 0.00 0.00 42.46 37.88 2dwy s ILE 512 CO 0.00 -1.20 0.65 -0.76 0.00 0.00 0.00 174.94 173.62 2dwy s LEU 513 N 3.21 3.92 0.41 2.97 1.43 -1.26 -4.89 118.68 124.47 2dwy s LEU 513 Ca 0.16 0.83 -0.26 0.00 -1.03 0.00 0.00 54.13 53.83 2dwy s LEU 513 Cb -0.21 -3.69 -0.10 0.00 0.03 0.00 0.00 46.19 42.22 2dwy s LEU 513 CO 0.09 -0.32 1.31 -2.65 0.23 0.00 0.00 176.35 175.01 2dwy n PRO 514 N -1.34 2.06 -4.17 1.29 -0.02 -1.26 -4.83 135.00 126.74 2dwy n PRO 514 Ca -0.01 0.73 -0.34 0.00 -2.02 0.00 0.00 63.50 61.86 2dwy n PRO 514 Cb 0.54 -2.43 -0.10 0.00 -0.02 0.00 0.00 33.50 31.49 2dwy n PRO 514 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2dwy s VAL 515 N -1.17 4.46 -0.28 -1.45 1.01 -0.34 -4.93 120.40 117.70 2dwy s VAL 515 Ca 0.59 -0.16 -0.25 0.00 0.00 0.00 0.00 61.98 62.17 2dwy s VAL 515 Cb -0.51 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 32.89 2dwy s VAL 515 CO 0.59 0.49 0.85 -0.89 0.00 0.00 0.00 175.10 176.15 2dwy s THR 516 N 0.20 4.76 -0.13 3.92 2.01 -1.26 -0.28 115.64 124.86 2dwy s THR 516 Ca 0.02 1.43 0.16 0.00 0.31 0.00 0.00 61.69 63.61 2dwy s THR 516 Cb -0.13 -4.18 -0.23 0.00 0.01 0.00 0.00 72.50 67.97 2dwy s THR 516 CO 0.01 -0.22 0.15 1.33 -0.69 0.00 0.00 174.62 175.20 2dwy n VAL 517 N 5.48 0.88 -3.70 3.82 0.24 -0.52 -4.93 118.33 119.59 2dwy n VAL 517 Ca 0.06 -0.65 -0.13 0.00 -2.04 0.00 0.00 64.34 61.58 2dwy n VAL 517 Cb 0.48 -0.39 -0.13 0.00 -1.47 0.00 0.00 33.84 32.33 2dwy n VAL 517 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2dwy s TYR 518 N -2.63 -0.38 -0.25 6.34 5.04 -1.11 -4.94 117.35 119.42 2dwy s TYR 518 Ca -0.08 0.88 -0.03 0.00 -2.44 0.00 0.00 57.07 55.39 2dwy s TYR 518 Cb 0.07 0.03 0.10 0.00 0.35 0.00 0.00 41.96 42.51 2dwy s TYR 518 CO 0.72 -0.28 0.17 0.34 -1.34 0.00 0.00 175.55 175.16 2dwy s ASP 519 N 1.67 2.59 -0.26 4.32 3.68 -1.25 -0.63 116.67 126.79 2dwy s ASP 519 Ca -0.06 -0.89 -0.26 0.00 2.13 0.00 0.00 52.55 53.48 2dwy s ASP 519 Cb -0.11 -0.03 0.09 0.00 -1.45 0.00 0.00 42.92 41.42 2dwy s ASP 519 CO -0.09 -0.40 0.84 -1.58 0.13 0.00 0.00 175.17 174.08 2dwy s GLN 520 N 2.20 0.72 -1.43 4.34 2.00 -0.83 -4.93 119.66 121.73 2dwy s GLN 520 Ca 0.07 0.78 0.00 0.00 -2.00 0.00 0.00 55.36 54.21 2dwy s GLN 520 Cb -0.15 0.35 0.00 0.00 0.80 0.00 0.00 33.01 34.01 2dwy s GLN 520 CO -0.27 -0.10 0.00 0.72 -0.50 0.00 0.00 175.29 175.14 2dwy n HIS 521 N 2.34 -1.17 -0.99 1.67 8.25 -1.26 0.43 115.22 124.49 2dwy n HIS 521 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2dwy n HIS 521 Cb 0.56 -3.33 0.00 0.00 1.12 0.00 0.00 29.99 28.33 2dwy n HIS 521 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2dwy n GLY 522 N -0.88 0.29 3.54 -1.41 0.00 -1.26 -4.15 105.19 101.32 2dwy n GLY 522 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 2dwy n GLY 522 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dwy s PHE 523 N -1.61 3.20 -0.15 1.61 5.99 0.17 -0.31 117.98 126.88 2dwy s PHE 523 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 56.93 56.89 2dwy s PHE 523 Cb 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 43.02 40.26 2dwy s PHE 523 CO 0.00 -0.50 -0.19 1.03 -0.00 0.00 0.00 175.22 175.56 2dwy s ARG 524 N 2.12 3.12 -0.18 10.12 0.52 -0.25 -1.97 118.95 132.43 2dwy s ARG 524 Ca 0.13 -0.80 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 2dwy s ARG 524 Cb -0.16 -2.53 0.01 0.00 0.52 0.00 0.00 34.95 32.78 2dwy s ARG 524 CO 0.12 0.01 -0.16 0.42 0.02 0.00 0.00 175.30 175.71 2dwy s ILE 525 N 0.80 2.46 0.09 1.52 1.01 0.19 -0.98 121.20 126.30 2dwy s ILE 525 Ca -0.06 -0.82 0.08 0.00 0.00 0.00 0.00 60.65 59.85 2dwy s ILE 525 Cb -0.15 -2.05 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 2dwy s ILE 525 CO -0.01 0.51 -0.16 -0.76 0.00 0.00 0.00 174.94 174.53 2dwy s LEU 526 N 1.14 2.78 -0.21 2.97 1.02 -0.28 -1.43 118.68 124.67 2dwy s LEU 526 Ca 0.01 -0.47 -0.12 0.00 0.02 0.00 0.00 54.13 53.57 2dwy s LEU 526 Cb -0.14 -1.62 -0.05 0.00 0.02 0.00 0.00 46.19 44.40 2dwy s LEU 526 CO -0.06 0.20 0.21 -0.36 0.02 0.00 0.00 176.35 176.36 2dwy s PHE 527 N -1.10 3.37 -0.19 0.29 0.08 0.62 -1.79 117.98 119.26 2dwy s PHE 527 Ca 0.18 0.38 -0.04 0.00 0.12 0.00 0.00 56.93 57.57 2dwy s PHE 527 Cb -0.11 -2.29 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 2dwy s PHE 527 CO 0.10 0.14 -0.04 -1.01 -0.10 0.00 0.00 175.22 174.31 2dwy s HIS 528 N 0.81 2.97 -0.10 0.36 3.76 0.16 -1.20 115.29 122.05 2dwy s HIS 528 Ca 0.11 -0.68 -0.14 0.00 -0.15 0.00 0.00 55.06 54.20 2dwy s HIS 528 Cb -0.13 -2.05 -0.05 0.00 1.11 0.00 0.00 32.58 31.47 2dwy s HIS 528 CO 0.03 -0.35 0.33 -0.06 -0.85 0.00 0.00 174.74 173.83 2dwy s PHE 529 N 1.06 3.58 0.24 1.40 0.40 -1.26 -0.78 117.98 122.62 2dwy s PHE 529 Ca 0.01 0.75 -0.11 0.00 -0.60 0.00 0.00 56.93 56.98 2dwy s PHE 529 Cb -0.15 -2.28 -0.01 0.00 0.51 0.00 0.00 43.02 41.09 2dwy s PHE 529 CO 0.00 0.44 0.42 0.00 0.70 0.00 0.00 175.22 176.79 2dwy s ALA 530 N -0.25 0.00 0.07 5.36 0.00 -0.34 -5.02 121.76 121.59 2dwy s ALA 530 Ca 0.20 -1.02 0.07 0.00 0.00 0.00 0.00 51.96 51.21 2dwy s ALA 530 Cb -0.14 1.12 -0.04 0.00 0.00 0.00 0.00 23.12 24.06 2dwy s ALA 530 CO 0.08 -0.81 -0.16 -0.98 0.00 0.00 0.00 175.76 173.89 2dwy s ARG 531 N -4.02 2.02 -0.41 0.00 1.70 -1.26 -1.40 118.95 115.58 2dwy s ARG 531 Ca 0.25 -1.04 -0.43 0.00 -0.47 0.00 0.00 55.73 54.05 2dwy s ARG 531 Cb 0.01 -2.21 -0.17 0.00 -0.57 0.00 0.00 34.95 32.01 2dwy s ARG 531 CO 0.10 0.52 1.82 -3.47 -1.08 0.00 0.00 175.30 173.19 2dwy n ASP 532 N 1.15 1.62 0.09 -2.89 4.64 -1.26 -4.85 116.55 115.04 2dwy n ASP 532 Ca -0.15 0.97 0.12 0.00 -1.38 0.00 0.00 54.79 54.34 2dwy n ASP 532 Cb 0.52 -1.01 0.45 0.00 -1.04 0.00 0.00 41.12 40.04 2dwy n ASP 532 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2dwy n PRO 533 N 5.62 0.16 -3.53 -0.67 -0.04 -1.26 -4.76 135.00 130.51 2dwy n PRO 533 Ca 0.35 0.29 -0.27 0.00 -0.04 0.00 0.00 63.50 63.84 2dwy n PRO 533 Cb 0.04 -1.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.72 2dwy n PRO 533 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2dwy s LEU 534 N -4.07 4.13 0.03 1.53 1.43 -1.26 -5.01 118.68 115.46 2dwy s LEU 534 Ca 0.07 0.49 -0.38 0.00 -1.03 0.00 0.00 54.13 53.28 2dwy s LEU 534 Cb 0.11 -3.29 -0.18 0.00 0.03 0.00 0.00 46.19 42.86 2dwy s LEU 534 CO 0.44 -0.15 1.24 -2.65 0.23 0.00 0.00 176.35 175.47 2dwy n PRO 535 N -1.03 0.65 -2.46 1.29 -0.02 -1.26 -4.89 135.00 127.29 2dwy n PRO 535 Ca -0.04 0.24 -0.02 0.00 -2.02 0.00 0.00 63.50 61.66 2dwy n PRO 535 Cb 0.54 -1.82 0.01 0.00 -0.02 0.00 0.00 33.50 32.22 2dwy n PRO 535 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dwy n GLY 536 N 2.17 1.11 3.72 -1.23 0.00 -1.26 -5.14 105.19 104.55 2dwy n GLY 536 Ca 0.19 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2dwy n GLY 536 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dwy s ARG 537 N -2.03 4.62 0.00 1.61 1.81 -1.26 -4.89 118.95 118.81 2dwy s ARG 537 Ca 0.10 1.43 0.06 0.00 -1.72 0.00 0.00 55.73 55.59 2dwy s ARG 537 Cb -0.01 -3.42 0.35 0.00 -0.45 0.00 0.00 34.95 31.41 2dwy s ARG 537 CO 0.03 0.08 0.90 0.45 -0.68 0.00 0.00 175.30 176.08 2dwy n SER 538 N 3.35 0.00 -0.55 0.23 2.88 -1.26 -3.07 113.62 115.20 2dwy n SER 538 Ca 0.04 -0.07 0.11 0.00 -1.33 0.00 0.00 58.87 57.62 2dwy n SER 538 Cb 0.50 -0.09 0.02 0.00 -0.75 0.00 0.00 64.21 63.89 2dwy n SER 538 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2dwy n ASP 539 N -1.09 2.14 -4.39 -3.46 5.75 -1.26 -4.30 116.55 109.94 2dwy n ASP 539 Ca 0.04 -1.57 -0.33 0.00 -0.01 0.00 0.00 54.79 52.92 2dwy n ASP 539 Cb 0.03 0.41 -0.14 0.00 -1.03 0.00 0.00 41.12 40.39 2dwy n ASP 539 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2dwy s VAL 540 N -2.42 3.25 -0.07 2.12 -7.23 -1.17 -1.01 120.40 113.87 2dwy s VAL 540 Ca 0.20 -0.58 -0.03 0.00 -1.81 0.00 0.00 61.98 59.75 2dwy s VAL 540 Cb 0.18 -2.39 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 2dwy s VAL 540 CO 0.54 0.51 0.09 -0.22 -0.31 0.00 0.00 175.10 175.70 2dwy s LEU 541 N 0.48 4.03 -0.31 1.32 2.96 0.15 -4.70 118.68 122.60 2dwy s LEU 541 Ca -0.08 0.28 -0.10 0.00 -0.22 0.00 0.00 54.13 54.01 2dwy s LEU 541 Cb -0.15 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 2dwy s LEU 541 CO 0.04 0.35 0.16 -0.69 -1.32 0.00 0.00 176.35 174.89 2dwy s VAL 542 N -1.06 4.67 -0.27 1.68 1.01 -0.49 -0.65 120.40 125.28 2dwy s VAL 542 Ca 0.18 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 2dwy s VAL 542 Cb -0.12 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 2dwy s VAL 542 CO 0.08 0.06 0.06 -0.69 0.00 0.00 0.00 175.10 174.61 2dwy s VAL 543 N 1.62 4.03 -0.28 2.92 1.01 -0.00 -1.20 120.40 128.50 2dwy s VAL 543 Ca 0.05 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 2dwy s VAL 543 Cb -0.17 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 2dwy s VAL 543 CO 0.07 0.22 0.19 -0.69 0.00 0.00 0.00 175.10 174.88 2dwy s VAL 544 N 1.54 5.25 -0.24 2.92 1.01 0.04 -0.22 120.40 130.71 2dwy s VAL 544 Ca 0.04 0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 2dwy s VAL 544 Cb -0.16 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2dwy s VAL 544 CO 0.02 0.23 0.10 0.54 0.00 0.00 0.00 175.10 175.99 2dwy s VAL 545 N 1.75 4.69 -0.07 2.92 0.11 -0.08 0.35 120.40 130.07 2dwy s VAL 545 Ca 0.07 -0.05 0.03 0.00 -2.93 0.00 0.00 61.98 59.10 2dwy s VAL 545 Cb -0.16 -3.19 -0.02 0.00 -1.53 0.00 0.00 36.38 31.48 2dwy s VAL 545 CO 0.11 0.34 -0.16 -0.94 -3.33 0.00 0.00 175.10 171.12 2dwy s SER 546 N 1.36 3.87 -0.16 3.54 1.04 -0.74 -0.69 113.70 121.92 2dwy s SER 546 Ca 0.06 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.23 2dwy s SER 546 Cb -0.15 -1.02 0.02 0.00 0.10 0.00 0.00 66.02 64.97 2dwy s SER 546 CO 0.05 0.29 -0.20 -0.04 0.98 0.00 0.00 173.24 174.31 2dwy s MET 547 N -0.39 2.94 -0.00 4.02 1.00 0.14 -1.13 119.30 125.89 2dwy s MET 547 Ca 0.04 -0.82 0.06 0.00 0.00 0.00 0.00 55.69 54.97 2dwy s MET 547 Cb -0.12 -2.46 -0.02 0.00 0.00 0.00 0.00 34.83 32.23 2dwy s MET 547 CO 0.02 -0.12 -0.18 -0.51 0.00 0.00 0.00 175.02 174.23 2dwy s LEU 548 N 1.07 2.06 -0.22 -0.03 1.02 -0.15 -1.10 118.68 121.33 2dwy s LEU 548 Ca -0.01 -0.36 -0.02 0.00 0.02 0.00 0.00 54.13 53.76 2dwy s LEU 548 Cb -0.14 -0.90 0.01 0.00 0.02 0.00 0.00 46.19 45.18 2dwy s LEU 548 CO -0.08 0.20 -0.08 -0.55 0.02 0.00 0.00 176.35 175.86 2dwy s SER 549 N -0.56 4.03 0.00 2.29 0.15 -1.26 -1.09 113.70 117.26 2dwy s SER 549 Ca 0.07 -0.59 0.22 0.00 0.70 0.00 0.00 55.95 56.35 2dwy s SER 549 Cb -0.07 -1.66 0.62 0.00 -1.71 0.00 0.00 66.02 63.20 2dwy s SER 549 CO -0.00 -0.05 1.49 0.41 1.20 0.00 0.00 173.24 176.29 2dwy n THR 550 N 4.72 0.27 -2.22 6.45 -1.04 0.58 -4.48 114.28 118.55 2dwy n THR 550 Ca -0.18 -0.48 -0.37 0.00 -2.04 0.00 0.00 64.05 60.98 2dwy n THR 550 Cb 0.50 0.68 -0.00 0.00 -1.82 0.00 0.00 70.33 69.68 2dwy n THR 550 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2dwy s ALA 551 N -1.73 2.90 0.24 2.41 0.00 -1.25 -4.59 121.76 119.74 2dwy s ALA 551 Ca 0.34 0.94 0.24 0.00 0.00 0.00 0.00 51.96 53.48 2dwy s ALA 551 Cb 0.20 -3.39 1.05 0.00 0.00 0.00 0.00 23.12 20.98 2dwy s ALA 551 CO 0.29 -0.74 1.89 -1.00 0.00 0.00 0.00 175.76 176.20 2dwy h PRO 552 N 1.82 0.00 -5.96 0.00 0.13 -1.88 0.30 132.00 126.41 2dwy h PRO 552 Ca -0.50 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.02 2dwy h PRO 552 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2dwy h PRO 552 CO 0.59 0.22 -0.41 -0.65 -0.23 0.00 0.00 178.00 177.52 2dwy s GLN 553 N -3.84 3.53 0.70 0.86 -0.21 -1.26 -4.34 119.66 115.10 2dwy s GLN 553 Ca -0.01 -0.21 -0.15 0.00 0.02 0.00 0.00 55.36 55.01 2dwy s GLN 553 Cb 0.11 -3.01 0.02 0.00 1.00 0.00 0.00 33.01 31.13 2dwy s GLN 553 CO 0.63 0.60 1.14 -1.25 -2.12 0.00 0.00 175.29 174.29 2dwy s PRO 554 N -2.21 2.49 -0.10 2.91 0.04 -1.26 -4.44 135.00 132.42 2dwy s PRO 554 Ca 0.33 1.51 0.04 0.00 0.04 0.00 0.00 61.00 62.91 2dwy s PRO 554 Cb -0.13 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2dwy s PRO 554 CO 0.22 -1.51 -0.23 0.42 0.04 0.00 0.00 177.00 175.93 2dwy s ILE 555 N -2.26 2.09 0.23 0.56 1.01 -0.73 -3.50 121.20 118.60 2dwy s ILE 555 Ca 0.69 -1.01 0.02 0.00 0.00 0.00 0.00 60.65 60.35 2dwy s ILE 555 Cb -0.23 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.39 2dwy s ILE 555 CO 0.44 0.56 0.06 -0.13 0.00 0.00 0.00 174.94 175.86 2dwy s ARG 556 N 0.39 1.32 -1.46 2.79 0.52 0.29 0.14 118.95 122.94 2dwy s ARG 556 Ca -0.18 -1.69 -0.11 0.00 -0.52 0.00 0.00 55.73 53.23 2dwy s ARG 556 Cb -0.18 -0.32 0.06 0.00 0.52 0.00 0.00 34.95 35.02 2dwy s ARG 556 CO 0.08 -0.22 1.04 0.09 0.02 0.00 0.00 175.30 176.31 2dwy n ASN 557 N -0.40 -5.12 -4.69 0.23 4.13 -1.06 -1.06 115.26 107.28 2dwy n ASN 557 Ca -0.03 -0.70 -0.42 0.00 1.68 0.00 0.00 54.58 55.11 2dwy n ASN 557 Cb 0.65 -4.30 -0.03 0.00 -1.54 0.00 0.00 39.78 34.56 2dwy n ASN 557 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2dwy s ILE 558 N -3.33 3.13 -0.12 2.41 1.01 0.00 -4.08 121.20 120.24 2dwy s ILE 558 Ca 0.59 0.63 -0.02 0.00 0.00 0.00 0.00 60.65 61.86 2dwy s ILE 558 Cb -0.29 -3.41 0.04 0.00 0.01 0.00 0.00 42.46 38.82 2dwy s ILE 558 CO 0.79 0.01 0.00 -0.69 0.00 0.00 0.00 174.94 175.06 2dwy s VAL 559 N 2.29 0.51 -0.55 2.92 1.01 -0.25 -4.82 120.40 121.50 2dwy s VAL 559 Ca 0.71 -0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.49 2dwy s VAL 559 Cb -0.38 -0.77 0.14 0.00 0.00 0.00 0.00 36.38 35.37 2dwy s VAL 559 CO 0.31 0.11 0.36 0.12 0.00 0.00 0.00 175.10 176.00 2dwy s PHE 560 N 1.90 3.47 0.02 5.22 5.36 -1.26 -1.47 117.98 131.22 2dwy s PHE 560 Ca 0.03 -2.57 -0.26 0.00 -0.96 0.00 0.00 56.93 53.17 2dwy s PHE 560 Cb -0.14 -3.23 -0.05 0.00 -0.34 0.00 0.00 43.02 39.26 2dwy s PHE 560 CO -0.07 -0.89 0.79 -1.14 -1.46 0.00 0.00 175.22 172.45 2dwy s GLN 561 N 0.41 4.51 -0.03 10.12 0.74 -0.34 -4.95 119.66 130.12 2dwy s GLN 561 Ca 0.13 1.10 0.07 0.00 0.05 0.00 0.00 55.36 56.71 2dwy s GLN 561 Cb -0.21 -3.39 -0.02 0.00 1.10 0.00 0.00 33.01 30.48 2dwy s GLN 561 CO -0.04 0.19 -0.23 -1.54 -0.55 0.00 0.00 175.29 173.13 2dwy s SER 562 N 0.26 3.30 -0.11 6.67 1.04 -1.26 -1.80 113.70 121.80 2dwy s SER 562 Ca 0.41 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.44 2dwy s SER 562 Cb -0.20 -0.53 0.02 0.00 0.10 0.00 0.00 66.02 65.41 2dwy s SER 562 CO 0.23 0.32 -0.15 0.00 0.98 0.00 0.00 173.24 174.62 2dwy s ALA 563 N -0.59 1.70 0.15 5.32 0.00 0.36 -4.98 121.76 123.72 2dwy s ALA 563 Ca 0.09 -0.75 0.07 0.00 0.00 0.00 0.00 51.96 51.37 2dwy s ALA 563 Cb -0.11 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 2dwy s ALA 563 CO -0.00 -0.14 -0.16 0.14 0.00 0.00 0.00 175.76 175.60 2dwy s VAL 564 N 1.09 1.58 0.23 0.00 -7.23 -1.26 -0.93 120.40 113.87 2dwy s VAL 564 Ca -0.04 -1.84 -0.31 0.00 -1.81 0.00 0.00 61.98 57.98 2dwy s VAL 564 Cb -0.14 -1.71 -0.15 0.00 0.56 0.00 0.00 36.38 34.94 2dwy s VAL 564 CO -0.03 -0.38 1.12 -2.65 -0.31 0.00 0.00 175.10 172.84 2dwy n PRO 565 N 0.37 1.31 0.03 4.82 -0.02 -1.26 -4.83 135.00 135.42 2dwy n PRO 565 Ca -0.14 0.46 0.07 0.00 -2.02 0.00 0.00 63.50 61.87 2dwy n PRO 565 Cb 0.57 -1.92 0.30 0.00 -0.02 0.00 0.00 33.50 32.44 2dwy n PRO 565 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2dwy n LYS 566 N 1.36 0.04 0.00 -0.52 2.85 -1.26 -1.47 118.16 119.16 2dwy n LYS 566 Ca 0.13 0.33 0.10 0.00 -1.05 0.00 0.00 58.31 57.81 2dwy n LYS 566 Cb 0.28 -1.57 0.49 0.00 -0.65 0.00 0.00 35.03 33.58 2dwy n LYS 566 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2dwy n VAL 567 N -1.64 0.46 -4.16 0.58 0.24 -1.26 -4.65 118.33 107.90 2dwy n VAL 567 Ca 0.03 0.11 -0.26 0.00 -2.04 0.00 0.00 64.34 62.18 2dwy n VAL 567 Cb 0.15 -0.76 -0.07 0.00 -1.47 0.00 0.00 33.84 31.69 2dwy n VAL 567 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2dwy s MET 568 N -2.78 2.61 -0.01 7.34 -1.94 -0.54 -4.63 119.30 119.35 2dwy s MET 568 Ca 0.15 -1.05 0.01 0.00 -1.71 0.00 0.00 55.69 53.09 2dwy s MET 568 Cb 0.14 -2.46 -0.04 0.00 2.01 0.00 0.00 34.83 34.49 2dwy s MET 568 CO 0.35 0.45 0.02 0.21 -0.01 0.00 0.00 175.02 176.04 2dwy s LYS 569 N -3.13 2.88 -0.07 2.03 2.47 -0.88 -4.90 119.74 118.14 2dwy s LYS 569 Ca 0.29 -0.55 0.02 0.00 -1.56 0.00 0.00 55.97 54.17 2dwy s LYS 569 Cb -0.09 -2.73 0.02 0.00 -1.46 0.00 0.00 37.83 33.56 2dwy s LYS 569 CO 0.21 0.64 -0.11 0.54 0.16 0.00 0.00 175.35 176.79 2dwy s VAL 570 N -1.08 1.09 -0.37 4.02 0.11 -1.26 -0.94 120.40 121.97 2dwy s VAL 570 Ca 0.19 -0.44 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 2dwy s VAL 570 Cb -0.12 -1.01 0.11 0.00 -1.53 0.00 0.00 36.38 33.82 2dwy s VAL 570 CO 0.10 0.35 0.13 -0.54 -3.33 0.00 0.00 175.10 171.81 2dwy s LYS 571 N 0.80 1.74 -0.17 1.54 -0.14 0.69 -4.95 119.74 119.26 2dwy s LYS 571 Ca -0.12 -1.85 -0.26 0.00 -1.36 0.00 0.00 55.97 52.37 2dwy s LYS 571 Cb -0.15 -3.40 -0.01 0.00 -1.68 0.00 0.00 37.83 32.59 2dwy s LYS 571 CO 0.02 -1.01 0.89 -1.17 -0.76 0.00 0.00 175.35 173.32 2dwy s LEU 572 N 1.02 4.17 0.52 3.17 0.20 -1.26 -1.35 118.68 125.15 2dwy s LEU 572 Ca 0.10 1.25 -0.03 0.00 0.69 0.00 0.00 54.13 56.14 2dwy s LEU 572 Cb -0.21 -3.33 -0.00 0.00 -0.43 0.00 0.00 46.19 42.22 2dwy s LEU 572 CO -0.06 -0.45 0.79 -1.10 -0.29 0.00 0.00 176.35 175.23 2dwy s GLN 573 N 2.32 3.03 0.49 1.98 -1.52 -0.59 -5.03 119.66 120.35 2dwy s GLN 573 Ca 0.41 -0.21 -0.21 0.00 -1.95 0.00 0.00 55.36 53.40 2dwy s GLN 573 Cb -0.17 -2.41 -0.08 0.00 -0.22 0.00 0.00 33.01 30.13 2dwy s GLN 573 CO 0.12 -0.47 1.06 -1.25 -0.25 0.00 0.00 175.29 174.51 2dwy s PRO 574 N -4.77 3.75 0.48 2.91 0.04 -1.26 -4.57 135.00 131.57 2dwy s PRO 574 Ca 0.51 1.44 -0.21 0.00 0.04 0.00 0.00 61.00 62.78 2dwy s PRO 574 Cb -0.10 -2.13 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 2dwy s PRO 574 CO 0.42 -0.49 1.07 -1.25 0.04 0.00 0.00 177.00 176.79 2dwy s PRO 575 N -3.16 3.78 0.60 0.56 0.04 -1.26 -4.55 135.00 131.01 2dwy s PRO 575 Ca 0.67 1.48 0.34 0.00 0.04 0.00 0.00 61.00 63.53 2dwy s PRO 575 Cb -0.19 -2.19 1.93 0.00 0.04 0.00 0.00 34.50 34.09 2dwy s PRO 575 CO 0.22 -0.47 2.25 0.66 0.04 0.00 0.00 177.00 179.71 2dwy h SER 576 N 1.72 0.00 -5.46 6.66 4.64 -1.56 -3.45 113.55 116.09 2dwy h SER 576 Ca -0.49 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.04 2dwy h SER 576 Cb 1.23 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.24 2dwy h SER 576 CO 0.59 0.02 0.59 -0.83 -0.87 0.00 0.00 176.83 176.33 2dwy s GLY 577 N -4.14 -0.22 0.00 -0.77 0.00 -1.26 -5.00 107.32 95.93 2dwy s GLY 577 Ca -0.04 0.19 0.02 0.00 0.00 0.00 0.00 44.72 44.89 2dwy s GLY 577 CO 0.51 0.50 0.79 2.41 0.00 0.00 0.00 173.10 177.32 2dwy n THR 578 N -0.52 0.46 -3.86 0.90 -1.04 -1.26 -4.92 114.28 104.04 2dwy n THR 578 Ca -0.06 -0.73 -0.09 0.00 -2.04 0.00 0.00 64.05 61.13 2dwy n THR 578 Cb 0.61 0.80 -0.08 0.00 -1.82 0.00 0.00 70.33 69.84 2dwy n THR 578 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 2dwy s GLU 579 N -0.56 0.78 0.01 -2.82 -1.05 -1.26 -0.82 118.70 112.98 2dwy s GLU 579 Ca 0.04 -0.83 0.04 0.00 -0.15 0.00 0.00 54.97 54.06 2dwy s GLU 579 Cb 0.02 0.32 -0.01 0.00 -0.44 0.00 0.00 34.13 34.02 2dwy s GLU 579 CO 0.03 -0.24 -0.12 -0.51 0.95 0.00 0.00 175.26 175.38 2dwy s LEU 580 N -2.55 2.10 0.76 1.83 1.43 0.12 -4.93 118.68 117.45 2dwy s LEU 580 Ca 0.01 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 2dwy s LEU 580 Cb 0.03 -0.53 0.05 0.00 0.03 0.00 0.00 46.19 45.76 2dwy s LEU 580 CO -0.08 0.07 1.10 -2.16 0.23 0.00 0.00 176.35 175.50 2dwy s PRO 581 N -0.69 2.30 0.39 1.29 0.04 -1.26 -1.77 135.00 135.29 2dwy s PRO 581 Ca 0.02 1.21 -0.27 0.00 0.04 0.00 0.00 61.00 62.00 2dwy s PRO 581 Cb -0.06 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 2dwy s PRO 581 CO 0.00 -1.62 1.39 0.00 0.04 0.00 0.00 177.00 176.82 2dwy s ALA 582 N -2.82 3.42 -0.37 8.56 0.00 -1.26 -4.64 121.76 124.65 2dwy s ALA 582 Ca 0.62 1.41 -0.27 0.00 0.00 0.00 0.00 51.96 53.72 2dwy s ALA 582 Cb -0.18 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.35 2dwy s ALA 582 CO 0.54 -0.94 2.09 0.12 0.00 0.00 0.00 175.76 177.57 2dwy s PHE 583 N -1.17 1.40 -0.61 0.00 5.99 0.10 -4.92 117.98 118.77 2dwy s PHE 583 Ca 0.54 0.84 -0.22 0.00 0.00 0.00 0.00 56.93 58.09 2dwy s PHE 583 Cb -0.43 -3.93 0.07 0.00 0.00 0.00 0.00 43.02 38.74 2dwy s PHE 583 CO 0.56 -3.16 0.87 1.21 -0.00 0.00 0.00 175.22 174.70 2dwy s ASN 584 N 8.53 6.21 0.30 6.13 3.84 -1.26 -4.76 114.94 133.92 2dwy s ASN 584 Ca 0.89 -0.97 0.17 0.00 0.21 0.00 0.00 52.86 53.16 2dwy s ASN 584 Cb -0.23 -2.38 0.91 0.00 -0.55 0.00 0.00 41.25 38.99 2dwy s ASN 584 CO 0.31 -1.28 1.47 -2.65 -2.79 0.00 0.00 177.10 172.16 2dwy n PRO 585 N 7.21 0.11 -0.04 0.43 -0.02 -1.26 -2.48 135.00 138.95 2dwy n PRO 585 Ca -0.04 0.60 -0.18 0.00 -2.02 0.00 0.00 63.50 61.85 2dwy n PRO 585 Cb 0.45 -1.98 -0.14 0.00 -0.02 0.00 0.00 33.50 31.81 2dwy n PRO 585 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2dwy n ILE 586 N -2.11 1.66 -4.39 4.25 5.41 -1.26 -5.01 119.36 117.91 2dwy n ILE 586 Ca -0.01 -0.67 -0.25 0.00 1.00 0.00 0.00 62.75 62.82 2dwy n ILE 586 Cb 0.14 -1.47 -0.09 0.00 -0.71 0.00 0.00 39.64 37.51 2dwy n ILE 586 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2dwy s VAL 587 N -2.55 2.82 0.00 1.39 -7.23 -1.03 -5.03 120.40 108.76 2dwy s VAL 587 Ca -0.22 -2.10 0.00 0.00 -1.81 0.00 0.00 61.98 57.85 2dwy s VAL 587 Cb 0.07 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.56 2dwy s VAL 587 CO 0.74 -0.30 0.00 0.00 -0.31 0.00 0.00 175.10 175.23 2dwy n HIS 588 N -0.44 0.00 -1.05 2.82 -0.00 -1.26 -4.79 115.22 110.50 2dwy n HIS 588 Ca -0.08 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.34 2dwy n HIS 588 Cb 0.58 0.00 0.12 0.00 -0.00 0.00 0.00 29.99 30.69 2dwy n HIS 588 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 2dwy s PRO 589 N 0.00 1.77 0.02 -1.40 0.02 -1.26 -5.04 135.00 129.10 2dwy s PRO 589 Ca 0.00 1.29 0.01 0.00 0.02 0.00 0.00 61.00 62.32 2dwy s PRO 589 Cb 0.00 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.65 2dwy s PRO 589 CO 0.00 -2.03 0.04 -1.12 -0.33 0.00 0.00 177.00 173.56 2dwy s SER 590 N -3.14 5.36 0.14 2.53 0.01 -1.26 -5.12 113.70 112.22 2dwy s SER 590 Ca 0.63 0.03 0.05 0.00 1.31 0.00 0.00 55.95 57.98 2dwy s SER 590 Cb -0.19 -1.45 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 2dwy s SER 590 CO 0.57 0.25 -0.12 0.00 0.41 0.00 0.00 173.24 174.35 2dwy s ALA 591 N -1.18 1.49 -0.08 1.44 0.00 -1.26 -4.32 121.76 117.84 2dwy s ALA 591 Ca 0.22 -1.39 0.00 0.00 0.00 0.00 0.00 51.96 50.79 2dwy s ALA 591 Cb -0.12 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2dwy s ALA 591 CO 0.14 0.01 -0.06 0.42 0.00 0.00 0.00 175.76 176.26 2dwy s ILE 592 N -2.69 3.73 -0.01 0.00 -1.09 -0.26 -4.89 121.20 115.99 2dwy s ILE 592 Ca 0.13 -0.46 0.06 0.00 -2.23 0.00 0.00 60.65 58.14 2dwy s ILE 592 Cb -0.02 -2.54 -0.01 0.00 -1.58 0.00 0.00 42.46 38.31 2dwy s ILE 592 CO 0.02 0.58 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.24 2dwy s THR 593 N -0.61 1.46 -0.08 2.92 2.01 -1.26 -0.69 115.64 119.39 2dwy s THR 593 Ca 0.09 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.26 2dwy s THR 593 Cb -0.12 -1.21 0.04 0.00 0.01 0.00 0.00 72.50 71.22 2dwy s THR 593 CO 0.02 0.41 0.15 -1.58 -0.69 0.00 0.00 174.62 172.92 2dwy s GLN 594 N -0.45 0.03 -0.12 4.92 0.74 0.13 -1.26 119.66 123.65 2dwy s GLN 594 Ca 0.07 0.53 -0.14 0.00 0.05 0.00 0.00 55.36 55.87 2dwy s GLN 594 Cb -0.07 -0.28 -0.05 0.00 1.10 0.00 0.00 33.01 33.71 2dwy s GLN 594 CO -0.01 -0.29 0.32 0.08 -0.55 0.00 0.00 175.29 174.85 2dwy s VAL 595 N 2.14 5.26 0.01 1.34 1.01 -1.26 -0.90 120.40 128.00 2dwy s VAL 595 Ca 0.02 0.62 0.06 0.00 0.00 0.00 0.00 61.98 62.68 2dwy s VAL 595 Cb -0.12 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 2dwy s VAL 595 CO -0.06 0.44 -0.20 -0.22 0.00 0.00 0.00 175.10 175.06 2dwy s LEU 596 N 0.06 2.10 -0.08 3.92 0.20 0.70 -1.54 118.68 124.03 2dwy s LEU 596 Ca 0.19 -0.43 0.04 0.00 0.69 0.00 0.00 54.13 54.62 2dwy s LEU 596 Cb -0.14 -0.97 -0.01 0.00 -0.43 0.00 0.00 46.19 44.64 2dwy s LEU 596 CO 0.06 0.20 -0.20 -0.22 -0.29 0.00 0.00 176.35 175.90 2dwy s LEU 597 N -0.80 2.34 -0.20 -0.68 0.20 -0.45 -0.82 118.68 118.26 2dwy s LEU 597 Ca 0.07 -0.43 -0.01 0.00 0.69 0.00 0.00 54.13 54.45 2dwy s LEU 597 Cb -0.08 -1.47 0.05 0.00 -0.43 0.00 0.00 46.19 44.27 2dwy s LEU 597 CO 0.00 0.22 -0.02 -0.22 -0.29 0.00 0.00 176.35 176.05 2dwy s LEU 598 N -0.00 1.77 -0.02 -0.68 0.20 0.17 -0.22 118.68 119.89 2dwy s LEU 598 Ca -0.07 -0.89 -0.14 0.00 0.69 0.00 0.00 54.13 53.73 2dwy s LEU 598 Cb -0.15 -0.88 -0.05 0.00 -0.43 0.00 0.00 46.19 44.68 2dwy s LEU 598 CO 0.05 -0.25 0.38 0.00 -0.29 0.00 0.00 176.35 176.24 2dwy s ALA 599 N 1.64 3.71 -0.39 5.97 0.00 -0.11 0.32 121.76 132.89 2dwy s ALA 599 Ca -0.02 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.75 2dwy s ALA 599 Cb -0.17 -2.35 0.25 0.00 0.00 0.00 0.00 23.12 20.85 2dwy s ALA 599 CO -0.07 0.46 0.53 -1.71 0.00 0.00 0.00 175.76 174.97 2dwy n ASN 600 N 1.97 0.19 0.26 0.00 5.15 -0.18 -2.07 115.26 120.58 2dwy n ASN 600 Ca -0.14 -2.70 0.08 0.00 -0.60 0.00 0.00 54.58 51.22 2dwy n ASN 600 Cb 0.53 -0.64 0.64 0.00 -0.53 0.00 0.00 39.78 39.78 2dwy n ASN 600 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2dwy h PRO 601 N 3.97 0.00 0.00 1.20 0.11 -1.82 -0.51 132.00 134.94 2dwy h PRO 601 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2dwy h PRO 601 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2dwy h PRO 601 CO 0.46 0.01 -0.19 1.04 -0.21 0.00 0.00 178.00 179.11 2dwy n GLN 602 N -4.52 0.10 -2.74 1.05 6.02 -1.26 -4.95 117.38 111.07 2dwy n GLN 602 Ca -0.03 0.06 -0.21 0.00 -0.01 0.00 0.00 57.00 56.81 2dwy n GLN 602 Cb 0.09 -1.59 0.02 0.00 1.02 0.00 0.00 30.24 29.78 2dwy n GLN 602 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2dwy n LYS 603 N -1.75 -3.44 -2.23 -1.09 5.02 -0.20 -4.99 118.16 109.48 2dwy n LYS 603 Ca 0.06 0.93 -0.27 0.00 -2.02 0.00 0.00 58.31 57.01 2dwy n LYS 603 Cb 0.37 -5.67 0.05 0.00 -0.02 0.00 0.00 35.03 29.76 2dwy n LYS 603 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2dwy s GLU 604 N -5.39 2.70 -0.01 1.97 2.02 -1.26 -4.80 118.70 113.93 2dwy s GLU 604 Ca 0.17 0.03 -0.30 0.00 0.02 0.00 0.00 54.97 54.89 2dwy s GLU 604 Cb -0.07 -2.19 -0.07 0.00 0.10 0.00 0.00 34.13 31.90 2dwy s GLU 604 CO 0.21 -0.93 1.78 0.21 0.02 0.00 0.00 175.26 176.55 2dwy s LYS 605 N -5.15 4.17 0.30 1.61 2.20 -1.26 -4.85 119.74 116.77 2dwy s LYS 605 Ca 0.56 2.37 -0.28 0.00 -0.36 0.00 0.00 55.97 58.26 2dwy s LYS 605 Cb -0.11 -4.04 -0.09 0.00 -1.51 0.00 0.00 37.83 32.08 2dwy s LYS 605 CO 0.46 -0.89 1.02 0.08 -0.36 0.00 0.00 175.35 175.67 2dwy s VAL 606 N 4.14 3.82 0.00 4.02 1.01 -1.26 -5.06 120.40 127.07 2dwy s VAL 606 Ca 0.79 1.68 0.00 0.00 0.00 0.00 0.00 61.98 64.46 2dwy s VAL 606 Cb -0.37 -4.01 -0.00 0.00 0.00 0.00 0.00 36.38 31.99 2dwy s VAL 606 CO 0.34 0.28 -0.01 -0.60 0.00 0.00 0.00 175.10 175.12 2dwy s ARG 607 N -1.70 0.08 -0.12 2.72 3.52 -1.26 -4.68 118.95 117.51 2dwy s ARG 607 Ca 0.47 -0.10 -0.02 0.00 -0.13 0.00 0.00 55.73 55.95 2dwy s ARG 607 Cb -0.26 -0.03 0.04 0.00 -1.56 0.00 0.00 34.95 33.15 2dwy s ARG 607 CO 0.33 0.01 0.03 -1.17 -0.81 0.00 0.00 175.30 173.68 2dwy s LEU 608 N -0.21 0.66 -0.16 -0.88 0.20 -0.45 -4.17 118.68 113.66 2dwy s LEU 608 Ca -0.02 -0.36 -0.14 0.00 0.69 0.00 0.00 54.13 54.30 2dwy s LEU 608 Cb -0.02 -0.41 -0.05 0.00 -0.43 0.00 0.00 46.19 45.29 2dwy s LEU 608 CO -0.00 -0.26 0.29 -0.13 -0.29 0.00 0.00 176.35 175.96 2dwy s ARG 609 N 1.99 4.26 0.22 1.98 0.52 -0.11 -0.70 118.95 127.12 2dwy s ARG 609 Ca 0.03 0.09 0.10 0.00 -0.52 0.00 0.00 55.73 55.43 2dwy s ARG 609 Cb -0.14 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.85 2dwy s ARG 609 CO -0.06 0.23 -0.18 1.52 0.02 0.00 0.00 175.30 176.83 2dwy s TYR 610 N 0.50 1.98 -0.13 -0.53 1.13 -0.31 -0.49 117.35 119.50 2dwy s TYR 610 Ca 0.16 -0.45 -0.01 0.00 -1.41 0.00 0.00 57.07 55.37 2dwy s TYR 610 Cb -0.13 -0.91 0.04 0.00 -1.10 0.00 0.00 41.96 39.85 2dwy s TYR 610 CO 0.04 0.49 -0.04 0.15 -2.51 0.00 0.00 175.55 173.68 2dwy s LYS 611 N -3.35 1.19 -0.22 -3.49 1.02 -0.74 -2.52 119.74 111.62 2dwy s LYS 611 Ca 0.24 -0.28 -0.08 0.00 0.02 0.00 0.00 55.97 55.87 2dwy s LYS 611 Cb -0.04 -1.65 -0.04 0.00 -0.52 0.00 0.00 37.83 35.59 2dwy s LYS 611 CO 0.10 -0.37 0.09 -1.17 -0.92 0.00 0.00 175.35 173.07 2dwy s LEU 612 N 1.76 3.75 -0.06 3.17 0.20 -0.38 -1.20 118.68 125.91 2dwy s LEU 612 Ca 0.03 -0.01 0.05 0.00 0.69 0.00 0.00 54.13 54.88 2dwy s LEU 612 Cb -0.14 -1.98 -0.00 0.00 -0.43 0.00 0.00 46.19 43.64 2dwy s LEU 612 CO -0.07 0.08 -0.21 -0.89 -0.29 0.00 0.00 176.35 174.96 2dwy s THR 613 N 0.94 1.77 0.26 3.68 2.01 -0.55 -0.84 115.64 122.93 2dwy s THR 613 Ca 0.05 -0.89 -0.21 0.00 0.31 0.00 0.00 61.69 60.94 2dwy s THR 613 Cb -0.14 -1.52 0.04 0.00 0.01 0.00 0.00 72.50 70.89 2dwy s THR 613 CO 0.03 0.50 0.81 0.72 -0.69 0.00 0.00 174.62 175.99 2dwy s PHE 614 N 0.08 -0.11 -0.12 4.92 -0.71 -1.10 -1.10 117.98 119.84 2dwy s PHE 614 Ca -0.08 -0.34 0.01 0.00 -1.04 0.00 0.00 56.93 55.48 2dwy s PHE 614 Cb -0.14 0.71 0.02 0.00 -1.21 0.00 0.00 43.02 42.40 2dwy s PHE 614 CO 0.04 -1.16 -0.12 0.99 -1.34 0.00 0.00 175.22 173.63 2dwy s THR 615 N -3.41 1.36 -0.13 -4.49 2.01 -0.23 -0.59 115.64 110.15 2dwy s THR 615 Ca 0.13 -0.52 -0.00 0.00 0.31 0.00 0.00 61.69 61.61 2dwy s THR 615 Cb -0.04 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.20 2dwy s THR 615 CO 0.06 0.42 -0.10 -0.32 -0.69 0.00 0.00 174.62 173.99 2dwy s MET 616 N 1.39 1.86 7.02 4.92 0.00 -0.95 -0.54 119.30 132.99 2dwy s MET 616 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 55.69 55.30 2dwy s MET 616 Cb -0.13 -1.83 0.00 0.00 0.00 0.00 0.00 34.83 32.86 2dwy s MET 616 CO -0.07 -0.26 0.00 0.41 0.00 0.00 0.00 175.02 175.10 2dwy n GLY 617 N 4.87 2.88 0.03 2.11 0.00 -1.23 -2.48 105.19 111.36 2dwy n GLY 617 Ca -0.14 0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.18 2dwy n GLY 617 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dwy n ASP 618 N 10.44 1.24 -4.78 1.61 8.00 -1.26 -4.99 116.55 126.81 2dwy n ASP 618 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 2dwy n ASP 618 Cb 0.00 1.51 -0.05 0.00 -0.02 0.00 0.00 41.12 42.56 2dwy n ASP 618 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2dwy s GLN 619 N -2.93 4.37 -0.22 -1.24 2.00 -1.04 -5.04 119.66 115.57 2dwy s GLN 619 Ca -0.06 1.47 -0.09 0.00 -2.00 0.00 0.00 55.36 54.67 2dwy s GLN 619 Cb 0.09 -2.70 -0.05 0.00 0.80 0.00 0.00 33.01 31.16 2dwy s GLN 619 CO 0.67 0.05 0.12 0.99 -0.50 0.00 0.00 175.29 176.61 2dwy s THR 620 N -1.60 5.10 -0.00 -0.34 2.01 -1.26 -2.24 115.64 117.31 2dwy s THR 620 Ca 0.54 0.09 -0.02 0.00 0.31 0.00 0.00 61.69 62.60 2dwy s THR 620 Cb -0.22 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 2dwy s THR 620 CO 0.27 0.40 0.17 -0.31 -0.69 0.00 0.00 174.62 174.46 2dwy s TYR 621 N 0.76 3.50 -0.35 4.92 1.51 0.24 -5.00 117.35 122.93 2dwy s TYR 621 Ca 0.06 0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 56.44 2dwy s TYR 621 Cb -0.13 -1.81 0.13 0.00 -0.11 0.00 0.00 41.96 40.05 2dwy s TYR 621 CO 0.02 0.63 0.20 -0.80 -1.11 0.00 0.00 175.55 174.49 2dwy s ASN 622 N -1.94 3.16 0.13 2.29 0.01 -1.26 -2.69 114.94 114.64 2dwy s ASN 622 Ca 0.27 -2.10 0.06 0.00 -0.71 0.00 0.00 52.86 50.38 2dwy s ASN 622 Cb -0.13 -0.48 -0.04 0.00 0.41 0.00 0.00 41.25 41.02 2dwy s ASN 622 CO 0.18 -0.33 0.04 -1.61 -1.51 0.00 0.00 177.10 173.88 2dwy s GLU 623 N 1.14 2.60 0.19 -0.60 0.41 -0.02 -4.96 118.70 117.47 2dwy s GLU 623 Ca 0.16 -0.92 0.06 0.00 -0.41 0.00 0.00 54.97 53.86 2dwy s GLU 623 Cb -0.22 -2.52 -0.05 0.00 -1.78 0.00 0.00 34.13 29.57 2dwy s GLU 623 CO -0.05 0.50 -0.11 -1.64 -0.49 0.00 0.00 175.26 173.47 2dwy s MET 624 N -2.71 1.25 -0.10 1.61 -1.94 -1.26 -1.25 119.30 114.89 2dwy s MET 624 Ca 0.28 -1.56 -0.33 0.00 -1.71 0.00 0.00 55.69 52.37 2dwy s MET 624 Cb -0.11 -0.89 0.13 0.00 2.01 0.00 0.00 34.83 35.97 2dwy s MET 624 CO 0.20 0.11 1.18 0.20 -0.01 0.00 0.00 175.02 176.70 2dwy s GLY 625 N -3.27 -0.34 -0.09 -0.03 0.00 -1.05 -4.99 107.32 97.55 2dwy s GLY 625 Ca 0.21 1.20 -0.01 0.00 0.00 0.00 0.00 44.72 46.13 2dwy s GLY 625 CO 0.05 0.37 -0.04 -0.35 0.00 0.00 0.00 173.10 173.13 2dwy s ASP 626 N -2.48 1.80 -0.27 1.64 3.68 -1.26 -1.16 116.67 118.61 2dwy s ASP 626 Ca 0.10 -0.19 -0.04 0.00 2.13 0.00 0.00 52.55 54.56 2dwy s ASP 626 Cb 0.01 -0.63 0.02 0.00 -1.45 0.00 0.00 42.92 40.87 2dwy s ASP 626 CO -0.04 -0.14 0.00 -0.69 0.13 0.00 0.00 175.17 174.43 2dwy s VAL 627 N 1.73 3.33 -0.16 1.11 1.01 0.12 -4.94 120.40 122.61 2dwy s VAL 627 Ca 0.03 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2dwy s VAL 627 Cb -0.13 -2.73 0.01 0.00 0.00 0.00 0.00 36.38 33.53 2dwy s VAL 627 CO -0.06 0.11 0.44 -0.90 0.00 0.00 0.00 175.10 174.69 2dwy n ASP 628 N 4.74 0.90 -2.42 3.32 3.85 -1.26 -1.35 116.55 124.34 2dwy n ASP 628 Ca -0.15 -0.95 -0.21 0.00 -0.71 0.00 0.00 54.79 52.76 2dwy n ASP 628 Cb 0.47 0.22 -0.11 0.00 -1.35 0.00 0.00 41.12 40.34 2dwy n ASP 628 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2dwy n GLN 629 N -0.16 2.54 -2.99 0.11 6.02 -1.26 -4.89 117.38 116.76 2dwy n GLN 629 Ca 0.01 -1.62 -0.29 0.00 -0.01 0.00 0.00 57.00 55.09 2dwy n GLN 629 Cb 0.03 -2.21 -0.03 0.00 1.02 0.00 0.00 30.24 29.06 2dwy n GLN 629 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2dwy s PHE 630 N 0.57 3.49 0.31 1.08 0.40 -1.26 -4.93 117.98 117.63 2dwy s PHE 630 Ca 0.65 0.87 -0.29 0.00 -0.60 0.00 0.00 56.93 57.56 2dwy s PHE 630 Cb 0.30 -2.30 -0.10 0.00 0.51 0.00 0.00 43.02 41.43 2dwy s PHE 630 CO -0.06 -0.04 1.21 -1.25 0.70 0.00 0.00 175.22 175.78 2dwy s PRO 631 N -3.90 4.46 0.17 0.24 0.04 -1.26 -4.97 135.00 129.77 2dwy s PRO 631 Ca 0.48 2.02 -0.32 0.00 0.04 0.00 0.00 61.00 63.22 2dwy s PRO 631 Cb -0.10 -3.10 -0.16 0.00 0.04 0.00 0.00 34.50 31.17 2dwy s PRO 631 CO 0.33 -0.02 0.98 -2.30 0.04 0.00 0.00 177.00 176.03 2dwy n PRO 632 N 0.93 0.74 0.23 0.56 -0.02 -1.26 -4.85 135.00 131.33 2dwy n PRO 632 Ca -0.00 0.26 0.15 0.00 -2.02 0.00 0.00 63.50 61.89 2dwy n PRO 632 Cb 0.43 -1.63 0.78 0.00 -0.02 0.00 0.00 33.50 33.06 2dwy n PRO 632 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2dwy h PRO 633 N 2.60 0.00 0.00 0.52 0.11 -1.88 -1.49 132.00 131.86 2dwy h PRO 633 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2dwy h PRO 633 Cb 1.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.49 2dwy h PRO 633 CO 0.65 0.00 -0.02 0.39 -0.21 0.00 0.00 178.00 178.81 2dwy n GLU 634 N -2.54 0.21 0.02 1.05 4.71 -1.26 -2.98 120.64 119.85 2dwy n GLU 634 Ca -0.02 0.17 0.12 0.00 -0.01 0.00 0.00 57.16 57.42 2dwy n GLU 634 Cb 0.10 -1.74 0.17 0.00 -1.01 0.00 0.00 31.44 28.95 2dwy n GLU 634 CO 0.00 0.00 0.00 2.41 0.09 0.00 0.00 177.13 179.63 2dwy n THR 635 N -2.11 0.11 0.11 2.62 -1.04 -0.56 -4.55 114.28 108.86 2dwy n THR 635 Ca 0.06 -0.11 0.02 0.00 -2.04 0.00 0.00 64.05 61.98 2dwy n THR 635 Cb 0.41 0.21 0.39 0.00 -1.82 0.00 0.00 70.33 69.52 2dwy n THR 635 CO 0.00 0.00 0.00 -0.50 -0.64 0.00 0.00 175.07 173.93 2dwy h TRP 636 N 0.00 0.26 0.00 -1.42 4.06 -1.61 -0.81 115.95 116.44 2dwy h TRP 636 Ca 0.00 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.92 2dwy h TRP 636 Cb 0.60 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 2dwy h TRP 636 CO 0.00 0.37 0.00 0.41 -3.56 0.00 0.00 178.44 175.66 2dwy n GLY 637 N -0.90 -1.35 0.00 1.49 0.00 -1.26 -3.92 105.19 99.25 2dwy n GLY 637 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2dwy n GLY 637 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dwy n SER 638 N -1.79 1.01 -0.23 1.61 3.41 -0.39 -5.09 113.62 112.14 2dwy n SER 638 Ca 0.05 -1.29 0.15 0.00 -0.26 0.00 0.00 58.87 57.52 2dwy n SER 638 Cb 0.28 0.00 0.75 0.00 -0.26 0.00 0.00 64.21 64.98 2dwy n SER 638 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88