#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dx0 s THR 521 N 0.00 3.01 0.44 5.18 -4.23 -1.26 -4.95 115.64 113.83 2dx0 s THR 521 Ca 0.00 1.01 -0.24 0.00 -1.18 0.00 0.00 61.69 61.28 2dx0 s THR 521 Cb 0.00 -3.64 -0.10 0.00 1.34 0.00 0.00 72.50 70.10 2dx0 s THR 521 CO 0.00 0.24 1.12 -0.81 -0.54 0.00 0.00 174.62 174.63 2dx0 n PRO 522 N 1.04 1.55 0.28 3.99 -0.04 -1.26 -4.87 135.00 135.69 2dx0 n PRO 522 Ca -0.00 0.56 0.18 0.00 -0.04 0.00 0.00 63.50 64.20 2dx0 n PRO 522 Cb 0.43 -2.21 0.94 0.00 -0.04 0.00 0.00 33.50 32.63 2dx0 n PRO 522 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2dx0 h PRO 523 N 1.66 0.00 0.00 0.54 0.13 -2.02 -1.02 132.00 131.29 2dx0 h PRO 523 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2dx0 h PRO 523 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2dx0 h PRO 523 CO 0.58 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.60 2dx0 n THR 524 N -3.29 0.45 0.08 1.56 -2.24 -1.26 -2.83 114.28 106.75 2dx0 n THR 524 Ca -0.01 0.11 0.02 0.00 -2.27 0.00 0.00 64.05 61.90 2dx0 n THR 524 Cb 0.27 -0.81 0.03 0.00 -2.10 0.00 0.00 70.33 67.72 2dx0 n THR 524 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dx0 n GLU 525 N -1.29 0.82 -0.32 -0.78 -0.58 -0.39 -4.78 120.64 113.33 2dx0 n GLU 525 Ca 0.09 -1.09 0.15 0.00 -0.42 0.00 0.00 57.16 55.88 2dx0 n GLU 525 Cb 0.15 -1.08 0.31 0.00 -0.57 0.00 0.00 31.44 30.24 2dx0 n GLU 525 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2dx0 h LEU 526 N 0.76 -0.25 -3.51 -4.62 3.38 -1.61 -1.77 115.31 107.68 2dx0 h LEU 526 Ca 0.00 0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2dx0 h LEU 526 Cb 0.32 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2dx0 h LEU 526 CO 0.00 -0.29 0.00 1.41 0.09 0.00 0.00 178.44 179.65 2dx0 n HIS 527 N -5.38 1.89 -4.86 1.13 8.25 -1.26 -4.96 115.22 110.03 2dx0 n HIS 527 Ca 0.23 -0.75 -0.32 0.00 -0.26 0.00 0.00 57.72 56.61 2dx0 n HIS 527 Cb 0.76 -0.48 -0.13 0.00 1.12 0.00 0.00 29.99 31.26 2dx0 n HIS 527 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2dx0 s PHE 528 N -2.77 2.69 -0.15 4.41 2.99 -0.67 -5.09 117.98 119.39 2dx0 s PHE 528 Ca 0.53 -0.17 -0.27 0.00 0.00 0.00 0.00 56.93 57.02 2dx0 s PHE 528 Cb 0.40 -1.61 -0.01 0.00 0.00 0.00 0.00 43.02 41.80 2dx0 s PHE 528 CO 0.15 0.20 0.91 0.20 -0.00 0.00 0.00 175.22 176.68 2dx0 s GLY 529 N -0.83 2.19 -0.47 4.36 0.00 -1.26 -4.99 107.32 106.32 2dx0 s GLY 529 Ca 0.12 0.18 0.04 0.00 0.00 0.00 0.00 44.72 45.06 2dx0 s GLY 529 CO 0.01 1.79 0.37 -0.54 0.00 0.00 0.00 173.10 174.73 2dx0 s GLU 530 N 2.13 1.24 0.53 2.90 2.02 -1.26 -4.96 118.70 121.29 2dx0 s GLU 530 Ca 0.43 -2.35 0.19 0.00 0.02 0.00 0.00 54.97 53.26 2dx0 s GLU 530 Cb -0.17 -1.86 1.35 0.00 0.10 0.00 0.00 34.13 33.55 2dx0 s GLU 530 CO 0.14 -1.36 2.12 0.87 0.02 0.00 0.00 175.26 177.05 2dx0 h LYS 531 N 5.64 0.00 -0.00 1.61 1.57 -2.02 -2.14 116.57 121.23 2dx0 h LYS 531 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2dx0 h LYS 531 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2dx0 h LYS 531 CO 0.44 0.00 -0.03 -2.67 -0.57 0.00 0.00 179.45 176.62 2dx0 n TRP 532 N -4.43 0.00 -3.06 -1.35 4.27 -1.26 -4.82 117.44 106.79 2dx0 n TRP 532 Ca 0.00 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.20 2dx0 n TRP 532 Cb 0.22 -0.26 -0.06 0.00 -1.36 0.00 0.00 31.31 29.85 2dx0 n TRP 532 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2dx0 s PHE 533 N -2.55 3.27 -0.42 -2.67 5.36 -0.81 -0.64 117.98 119.53 2dx0 s PHE 533 Ca 0.29 0.83 0.02 0.00 -0.96 0.00 0.00 56.93 57.11 2dx0 s PHE 533 Cb 0.20 -2.92 0.13 0.00 -0.34 0.00 0.00 43.02 40.09 2dx0 s PHE 533 CO 0.47 -0.38 0.21 -1.01 -1.46 0.00 0.00 175.22 173.05 2dx0 s HIS 534 N 2.61 2.20 -0.81 10.12 3.76 -0.28 -4.93 115.29 127.96 2dx0 s HIS 534 Ca 0.28 -2.46 0.20 0.00 -0.15 0.00 0.00 55.06 52.93 2dx0 s HIS 534 Cb -0.15 -2.05 0.81 0.00 1.11 0.00 0.00 32.58 32.30 2dx0 s HIS 534 CO 0.09 -0.80 1.61 0.36 -0.85 0.00 0.00 174.74 175.15 2dx0 n LYS 535 N 3.72 0.08 0.04 1.40 2.85 -1.26 -2.82 118.16 122.17 2dx0 n LYS 535 Ca 0.06 0.28 -0.15 0.00 -1.05 0.00 0.00 58.31 57.45 2dx0 n LYS 535 Cb 0.36 -1.64 -0.05 0.00 -0.65 0.00 0.00 35.03 33.04 2dx0 n LYS 535 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2dx0 h LYS 536 N 0.00 0.55 -5.70 -1.58 6.56 -1.95 -3.41 116.57 111.05 2dx0 h LYS 536 Ca 0.00 -0.54 -0.29 0.00 -1.06 0.00 0.00 60.65 58.76 2dx0 h LYS 536 Cb 0.34 0.14 -0.04 0.00 -0.57 0.00 0.00 32.23 32.11 2dx0 h LYS 536 CO 0.00 1.17 0.75 0.08 -2.06 0.00 0.00 179.45 179.39 2dx0 s VAL 537 N -3.42 3.37 -0.37 0.50 1.01 -1.13 -4.81 120.40 115.55 2dx0 s VAL 537 Ca -0.08 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.71 2dx0 s VAL 537 Cb 0.09 -3.84 0.55 0.00 0.00 0.00 0.00 36.38 33.17 2dx0 s VAL 537 CO 0.88 -0.80 1.74 -0.62 0.00 0.00 0.00 175.10 176.30 2dx0 n GLU 538 N 8.90 2.11 -3.64 2.72 1.02 -1.26 -4.57 120.64 125.91 2dx0 n GLU 538 Ca 0.38 -2.45 -0.14 0.00 -0.02 0.00 0.00 57.16 54.93 2dx0 n GLU 538 Cb 0.47 -1.96 -0.08 0.00 -0.02 0.00 0.00 31.44 29.85 2dx0 n GLU 538 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dx0 s SER 539 N -0.85 -0.63 0.22 1.62 0.15 -1.26 -4.93 113.70 108.01 2dx0 s SER 539 Ca 0.46 1.10 -0.08 0.00 0.70 0.00 0.00 55.95 58.13 2dx0 s SER 539 Cb 0.39 1.09 0.18 0.00 -1.71 0.00 0.00 66.02 65.97 2dx0 s SER 539 CO 0.09 -0.30 1.84 -0.09 1.20 0.00 0.00 173.24 175.98 2dx0 h ARG 540 N 4.70 1.15 -0.54 5.44 2.43 -1.96 -0.45 114.38 125.15 2dx0 h ARG 540 Ca -0.28 -0.13 -0.06 0.00 -0.81 0.00 0.00 59.98 58.69 2dx0 h ARG 540 Cb 1.16 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 2dx0 h ARG 540 CO 0.18 0.84 0.08 1.15 -1.51 0.00 0.00 179.97 180.71 2dx0 h THR 541 N 1.15 1.25 -0.86 0.20 2.02 -2.00 -2.38 112.91 112.30 2dx0 h THR 541 Ca 0.29 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.51 2dx0 h THR 541 Cb 0.02 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 2dx0 h THR 541 CO -0.05 0.35 0.51 -1.28 0.37 0.00 0.00 175.52 175.42 2dx0 h SER 542 N 0.78 1.04 -0.67 4.18 0.87 -1.84 -2.44 113.55 115.46 2dx0 h SER 542 Ca 0.16 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 2dx0 h SER 542 Cb 0.41 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 62.08 2dx0 h SER 542 CO 0.01 0.80 0.36 0.00 -0.53 0.00 0.00 176.83 177.47 2dx0 h ALA 543 N 1.28 0.86 -0.16 6.23 0.00 -0.80 -1.80 119.26 124.88 2dx0 h ALA 543 Ca 0.31 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2dx0 h ALA 543 Cb -0.04 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 2dx0 h ALA 543 CO -0.06 0.39 -0.27 0.93 0.00 0.00 0.00 179.25 180.24 2dx0 h GLU 544 N 0.92 0.29 -0.10 0.00 5.08 -1.12 -1.37 114.58 118.28 2dx0 h GLU 544 Ca 0.24 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 2dx0 h GLU 544 Cb 0.05 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2dx0 h GLU 544 CO -0.04 0.55 -0.14 0.87 -1.00 0.00 0.00 179.01 179.26 2dx0 h LYS 545 N 0.26 0.27 -0.71 2.33 1.57 -1.16 -0.00 116.57 119.13 2dx0 h LYS 545 Ca 0.04 -0.16 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 2dx0 h LYS 545 Cb 0.63 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 2dx0 h LYS 545 CO 0.05 0.72 0.40 1.25 -0.57 0.00 0.00 179.45 181.30 2dx0 h LEU 546 N -0.15 0.60 -0.40 2.94 6.46 -1.21 0.23 115.31 123.79 2dx0 h LEU 546 Ca 0.01 0.03 -0.08 0.00 -0.12 0.00 0.00 57.88 57.72 2dx0 h LEU 546 Cb 0.68 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.51 2dx0 h LEU 546 CO 0.03 0.38 -0.07 -0.07 -0.62 0.00 0.00 178.44 178.10 2dx0 h LEU 547 N 0.74 0.75 0.28 2.25 3.38 -1.17 -1.58 115.31 119.95 2dx0 h LEU 547 Ca 0.32 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2dx0 h LEU 547 Cb 0.20 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2dx0 h LEU 547 CO -0.19 0.92 -0.13 -0.61 0.09 0.00 0.00 178.44 178.51 2dx0 h GLN 548 N 0.56 -0.36 -0.54 1.13 4.15 -0.23 0.35 115.11 120.17 2dx0 h GLN 548 Ca 0.10 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.63 2dx0 h GLN 548 Cb 0.58 0.08 -0.07 0.00 0.21 0.00 0.00 27.48 28.28 2dx0 h GLN 548 CO 0.03 -0.19 0.18 0.93 -1.93 0.00 0.00 178.83 177.85 2dx0 h GLU 549 N -0.44 0.33 -0.00 1.69 5.08 -0.54 0.17 114.58 120.87 2dx0 h GLU 549 Ca -0.04 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 2dx0 h GLU 549 Cb 0.33 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2dx0 h GLU 549 CO 0.06 0.22 -0.80 -0.92 -1.00 0.00 0.00 179.01 176.57 2dx0 h TYR 550 N 0.34 0.06 0.00 4.33 5.03 -1.18 -3.40 116.97 122.15 2dx0 h TYR 550 Ca 0.27 -0.03 -0.40 0.00 2.58 0.00 0.00 58.73 61.14 2dx0 h TYR 550 Cb 0.32 -0.01 -0.07 0.00 1.55 0.00 0.00 36.73 38.53 2dx0 h TYR 550 CO -0.18 0.82 -2.47 0.00 -1.32 0.00 0.00 178.16 175.01 2dx0 h ALA 552 N -0.26 1.08 0.00 0.00 0.00 -0.81 -3.10 119.26 116.16 2dx0 h ALA 552 Ca -0.60 0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2dx0 h ALA 552 Cb 1.81 0.61 0.00 0.00 0.00 0.00 0.00 17.79 20.21 2dx0 h ALA 552 CO -0.18 -0.54 0.00 0.39 0.00 0.00 0.00 179.25 178.93 2dx0 n GLU 553 N -5.50 2.07 -0.06 0.00 1.02 -1.26 -4.70 120.64 112.21 2dx0 n GLU 553 Ca 0.22 -1.19 0.12 0.00 -0.02 0.00 0.00 57.16 56.29 2dx0 n GLU 553 Cb 0.71 -0.85 0.21 0.00 -0.02 0.00 0.00 31.44 31.48 2dx0 n GLU 553 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2dx0 n THR 554 N -0.35 0.15 -1.06 2.62 -2.24 -1.17 -4.95 114.28 107.28 2dx0 n THR 554 Ca 0.00 -0.52 -0.02 0.00 -2.27 0.00 0.00 64.05 61.24 2dx0 n THR 554 Cb 0.32 1.16 -0.01 0.00 -2.10 0.00 0.00 70.33 69.70 2dx0 n THR 554 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dx0 n GLY 555 N 1.36 0.52 3.60 3.38 0.00 -1.25 -4.97 105.19 107.83 2dx0 n GLY 555 Ca 0.16 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2dx0 n GLY 555 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dx0 n ALA 556 N 1.04 0.01 -1.56 4.61 0.00 -1.25 -4.95 120.51 118.41 2dx0 n ALA 556 Ca -0.02 0.29 -0.33 0.00 0.00 0.00 0.00 53.44 53.38 2dx0 n ALA 556 Cb 0.18 -2.05 0.04 0.00 0.00 0.00 0.00 19.45 17.62 2dx0 n ALA 556 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2dx0 s LYS 557 N -1.81 2.96 0.45 0.00 1.02 -1.26 -5.00 119.74 116.10 2dx0 s LYS 557 Ca 0.61 1.31 -0.23 0.00 0.02 0.00 0.00 55.97 57.68 2dx0 s LYS 557 Cb -0.61 -1.98 -0.08 0.00 -0.52 0.00 0.00 37.83 34.64 2dx0 s LYS 557 CO 0.58 -1.11 1.16 -0.51 -0.92 0.00 0.00 175.35 174.55 2dx0 s ASP 558 N -2.70 6.26 0.00 2.83 -0.00 -1.26 -2.67 116.67 119.12 2dx0 s ASP 558 Ca 0.65 2.29 0.00 0.00 -0.00 0.00 0.00 52.55 55.50 2dx0 s ASP 558 Cb -0.19 -2.60 0.00 0.00 -0.00 0.00 0.00 42.92 40.13 2dx0 s ASP 558 CO 0.41 -0.85 0.00 0.61 -0.00 0.00 0.00 175.17 175.34 2dx0 n GLY 559 N 0.46 0.23 3.75 0.21 0.00 0.11 -5.01 105.19 104.94 2dx0 n GLY 559 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2dx0 n GLY 559 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dx0 s THR 560 N -2.00 2.42 0.26 2.61 2.01 -1.09 -4.70 115.64 115.15 2dx0 s THR 560 Ca 0.00 0.36 -0.03 0.00 0.31 0.00 0.00 61.69 62.33 2dx0 s THR 560 Cb 0.00 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.29 2dx0 s THR 560 CO 0.00 0.06 0.40 2.22 -0.69 0.00 0.00 174.62 176.61 2dx0 n PHE 561 N 2.19 -1.32 -3.45 4.92 -1.74 -1.26 0.57 117.46 117.36 2dx0 n PHE 561 Ca 0.07 -1.67 -0.13 0.00 -0.56 0.00 0.00 57.45 55.15 2dx0 n PHE 561 Cb 0.39 0.45 -0.03 0.00 1.52 0.00 0.00 39.48 41.81 2dx0 n PHE 561 CO 0.00 0.00 0.00 -0.48 -0.56 0.00 0.00 176.76 175.72 2dx0 s LEU 562 N 0.00 -0.58 -0.02 5.98 2.34 -0.45 -4.85 118.68 121.10 2dx0 s LEU 562 Ca 0.20 0.17 0.08 0.00 0.06 0.00 0.00 54.13 54.64 2dx0 s LEU 562 Cb -0.01 2.58 -0.02 0.00 -0.56 0.00 0.00 46.19 48.18 2dx0 s LEU 562 CO 0.14 -0.88 -0.26 -0.69 -1.06 0.00 0.00 176.35 173.60 2dx0 s VAL 563 N -3.14 2.05 0.16 1.48 1.01 0.19 -1.61 120.40 120.55 2dx0 s VAL 563 Ca -0.02 -1.11 -0.07 0.00 0.00 0.00 0.00 61.98 60.78 2dx0 s VAL 563 Cb -0.01 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2dx0 s VAL 563 CO -0.07 0.58 0.23 0.00 0.00 0.00 0.00 175.10 175.83 2dx0 s ARG 564 N -0.61 1.12 0.38 2.72 1.70 -0.57 -1.13 118.95 122.56 2dx0 s ARG 564 Ca 0.10 -1.28 -0.26 0.00 -0.47 0.00 0.00 55.73 53.83 2dx0 s ARG 564 Cb -0.10 0.34 -0.09 0.00 -0.57 0.00 0.00 34.95 34.53 2dx0 s ARG 564 CO -0.01 -0.39 1.12 -1.21 -1.08 0.00 0.00 175.30 173.73 2dx0 s GLU 565 N -4.00 4.20 0.33 3.89 2.02 -1.26 0.71 118.70 124.59 2dx0 s GLU 565 Ca 0.21 1.75 -0.29 0.00 0.02 0.00 0.00 54.97 56.66 2dx0 s GLU 565 Cb 0.04 -2.74 -0.11 0.00 0.10 0.00 0.00 34.13 31.43 2dx0 s GLU 565 CO 0.02 -0.17 1.39 0.45 0.02 0.00 0.00 175.26 176.98 2dx0 s SER 566 N -1.20 6.60 0.00 -0.19 0.15 0.23 -4.56 113.70 114.74 2dx0 s SER 566 Ca 0.55 2.81 0.25 0.00 0.70 0.00 0.00 55.95 60.25 2dx0 s SER 566 Cb -0.29 -2.65 0.42 0.00 -1.71 0.00 0.00 66.02 61.79 2dx0 s SER 566 CO 0.36 -0.68 1.35 1.21 1.20 0.00 0.00 173.24 176.68 2dx0 n GLU 567 N 0.97 0.87 -0.05 5.44 2.13 -1.26 -4.39 120.64 124.34 2dx0 n GLU 567 Ca 0.02 -0.61 -0.08 0.00 0.66 0.00 0.00 57.16 57.14 2dx0 n GLU 567 Cb 0.41 -1.49 -0.04 0.00 0.27 0.00 0.00 31.44 30.59 2dx0 n GLU 567 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2dx0 n THR 568 N -0.53 0.53 -4.20 6.31 -1.04 -1.26 -5.01 114.28 109.08 2dx0 n THR 568 Ca 0.10 -0.17 -0.34 0.00 -2.04 0.00 0.00 64.05 61.60 2dx0 n THR 568 Cb 0.39 -1.19 -0.14 0.00 -1.82 0.00 0.00 70.33 67.57 2dx0 n THR 568 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2dx0 s PHE 569 N -2.18 2.92 0.47 -1.42 0.40 -1.26 -5.10 117.98 111.80 2dx0 s PHE 569 Ca -0.13 -0.84 -0.24 0.00 -0.60 0.00 0.00 56.93 55.12 2dx0 s PHE 569 Cb 0.04 -2.01 -0.07 0.00 0.51 0.00 0.00 43.02 41.49 2dx0 s PHE 569 CO 0.19 -0.42 1.39 -2.14 0.70 0.00 0.00 175.22 174.95 2dx0 s PRO 570 N 1.06 3.59 0.00 0.24 0.02 -1.26 -2.43 135.00 136.21 2dx0 s PRO 570 Ca 0.00 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.36 2dx0 s PRO 570 Cb -0.15 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.80 2dx0 s PRO 570 CO -0.01 -0.87 0.00 0.09 -0.33 0.00 0.00 177.00 175.89 2dx0 n ASN 571 N -0.36 0.00 -4.96 2.53 3.02 -1.26 -4.97 115.26 109.26 2dx0 n ASN 571 Ca 0.06 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.39 2dx0 n ASN 571 Cb 0.43 -0.27 0.01 0.00 -0.61 0.00 0.00 39.78 39.33 2dx0 n ASN 571 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2dx0 s ASP 572 N -2.07 5.88 0.47 6.41 -0.00 -1.02 -4.62 116.67 121.73 2dx0 s ASP 572 Ca 0.00 0.18 0.03 0.00 -0.00 0.00 0.00 52.55 52.76 2dx0 s ASP 572 Cb 0.00 -1.48 -0.03 0.00 -0.00 0.00 0.00 42.92 41.41 2dx0 s ASP 572 CO 0.00 -0.62 0.03 -0.31 -0.00 0.00 0.00 175.17 174.27 2dx0 s TYR 573 N -2.45 1.93 -0.01 4.23 1.51 -0.72 -0.60 117.35 121.24 2dx0 s TYR 573 Ca 0.47 -0.99 0.01 0.00 -1.01 0.00 0.00 57.07 55.55 2dx0 s TYR 573 Cb -0.10 -1.52 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 2dx0 s TYR 573 CO 0.36 0.13 -0.03 0.99 -1.11 0.00 0.00 175.55 175.89 2dx0 s THR 574 N -2.95 0.27 -0.25 -0.71 2.01 0.22 -0.40 115.64 113.82 2dx0 s THR 574 Ca 0.15 -0.11 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 2dx0 s THR 574 Cb 0.03 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 2dx0 s THR 574 CO 0.08 0.09 0.13 -0.22 -0.69 0.00 0.00 174.62 174.01 2dx0 s LEU 575 N 0.11 3.79 -0.19 4.42 1.98 0.15 -1.50 118.68 127.43 2dx0 s LEU 575 Ca -0.01 -0.06 0.01 0.00 -2.89 0.00 0.00 54.13 51.19 2dx0 s LEU 575 Cb -0.04 -2.03 0.03 0.00 0.66 0.00 0.00 46.19 44.82 2dx0 s LEU 575 CO -0.00 -0.00 -0.18 -0.44 -1.89 0.00 0.00 176.35 173.84 2dx0 s SER 576 N 1.45 3.37 0.23 3.68 0.01 -0.63 0.18 113.70 121.99 2dx0 s SER 576 Ca 0.06 -0.79 0.05 0.00 1.31 0.00 0.00 55.95 56.57 2dx0 s SER 576 Cb -0.15 -1.47 -0.05 0.00 0.21 0.00 0.00 66.02 64.56 2dx0 s SER 576 CO 0.06 -0.04 -0.04 0.72 0.41 0.00 0.00 173.24 174.35 2dx0 s PHE 577 N 1.27 1.61 -0.12 2.43 -0.12 -0.69 -1.34 117.98 121.01 2dx0 s PHE 577 Ca 0.02 -0.84 -0.06 0.00 -0.05 0.00 0.00 56.93 56.01 2dx0 s PHE 577 Cb -0.14 -0.91 -0.04 0.00 -0.63 0.00 0.00 43.02 41.30 2dx0 s PHE 577 CO -0.11 0.06 0.11 -0.46 -0.05 0.00 0.00 175.22 174.77 2dx0 s TRP 578 N -3.30 3.49 -0.37 3.49 -0.11 0.19 -1.76 118.94 120.57 2dx0 s TRP 578 Ca 0.27 0.44 0.02 0.00 1.22 0.00 0.00 56.10 58.05 2dx0 s TRP 578 Cb 0.05 -1.91 0.15 0.00 -1.50 0.00 0.00 33.47 30.25 2dx0 s TRP 578 CO 0.08 0.65 0.34 0.50 -4.62 0.00 0.00 176.95 173.90 2dx0 s ARG 579 N -0.93 0.65 -0.32 5.86 6.06 -0.08 0.07 118.95 130.26 2dx0 s ARG 579 Ca 0.14 -1.12 -0.20 0.00 -2.50 0.00 0.00 55.73 52.05 2dx0 s ARG 579 Cb -0.12 -0.92 0.03 0.00 0.06 0.00 0.00 34.95 34.00 2dx0 s ARG 579 CO 0.03 -1.22 0.41 -1.13 -2.50 0.00 0.00 175.30 170.89 2dx0 n SER 580 N 4.01 -3.30 0.00 -2.12 3.41 -1.26 -1.10 113.62 113.25 2dx0 n SER 580 Ca 0.13 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2dx0 n SER 580 Cb 0.43 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2dx0 n SER 580 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dx0 n GLY 581 N -0.31 1.07 3.37 5.00 0.00 -1.26 -5.02 105.19 108.04 2dx0 n GLY 581 Ca -0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.68 2dx0 n GLY 581 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dx0 s ARG 582 N -0.10 1.36 -0.08 1.61 3.00 -0.26 -5.13 118.95 119.35 2dx0 s ARG 582 Ca 0.00 -1.37 -0.00 0.00 0.00 0.00 0.00 55.73 54.35 2dx0 s ARG 582 Cb 0.00 -1.69 0.02 0.00 0.00 0.00 0.00 34.95 33.28 2dx0 s ARG 582 CO 0.00 0.38 -0.04 0.08 0.00 0.00 0.00 175.30 175.72 2dx0 s VAL 583 N -1.42 0.71 0.06 3.52 1.01 -1.26 -0.90 120.40 122.11 2dx0 s VAL 583 Ca 0.15 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.04 2dx0 s VAL 583 Cb -0.09 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 2dx0 s VAL 583 CO 0.07 0.30 0.07 -1.10 0.00 0.00 0.00 175.10 174.44 2dx0 s GLN 584 N 1.63 2.88 -0.12 2.72 -1.52 -0.72 -4.95 119.66 119.58 2dx0 s GLN 584 Ca 0.01 -0.67 0.01 0.00 -1.95 0.00 0.00 55.36 52.77 2dx0 s GLN 584 Cb -0.13 -2.73 0.02 0.00 -0.22 0.00 0.00 33.01 29.95 2dx0 s GLN 584 CO -0.05 0.58 -0.15 -1.01 -0.25 0.00 0.00 175.29 174.41 2dx0 s HIS 585 N -1.34 2.03 -0.15 0.91 3.76 -1.26 -1.71 115.29 117.54 2dx0 s HIS 585 Ca 0.28 -1.02 0.02 0.00 -0.15 0.00 0.00 55.06 54.18 2dx0 s HIS 585 Cb -0.12 -1.48 0.01 0.00 1.11 0.00 0.00 32.58 32.10 2dx0 s HIS 585 CO 0.20 -0.55 -0.21 0.00 -0.85 0.00 0.00 174.74 173.33 2dx0 s ARG 587 N 0.89 4.41 -0.40 0.00 3.52 -1.26 0.33 118.95 126.44 2dx0 s ARG 587 Ca -0.05 2.02 -0.09 0.00 -0.13 0.00 0.00 55.73 57.47 2dx0 s ARG 587 Cb -0.15 -3.20 0.06 0.00 -1.56 0.00 0.00 34.95 30.10 2dx0 s ARG 587 CO -0.03 -0.20 0.23 0.42 -0.81 0.00 0.00 175.30 174.91 2dx0 s ILE 588 N -0.01 4.28 0.44 4.11 1.01 0.46 -4.56 121.20 126.92 2dx0 s ILE 588 Ca 0.55 -1.24 -0.21 0.00 0.00 0.00 0.00 60.65 59.74 2dx0 s ILE 588 Cb -0.36 -3.54 -0.10 0.00 0.01 0.00 0.00 42.46 38.47 2dx0 s ILE 588 CO 0.39 -0.41 0.98 -0.13 0.00 0.00 0.00 174.94 175.76 2dx0 s ARG 589 N 1.46 4.13 -0.20 2.79 0.52 -0.23 -1.75 118.95 125.67 2dx0 s ARG 589 Ca 0.02 1.23 -0.04 0.00 -0.52 0.00 0.00 55.73 56.42 2dx0 s ARG 589 Cb -0.22 -2.23 0.07 0.00 0.52 0.00 0.00 34.95 33.09 2dx0 s ARG 589 CO 0.03 -0.13 0.08 -1.54 0.02 0.00 0.00 175.30 173.77 2dx0 s SER 590 N -2.04 2.68 0.18 0.23 1.04 -1.26 -1.57 113.70 112.95 2dx0 s SER 590 Ca 0.62 -0.78 0.08 0.00 0.48 0.00 0.00 55.95 56.35 2dx0 s SER 590 Cb -0.13 -0.35 -0.04 0.00 0.10 0.00 0.00 66.02 65.60 2dx0 s SER 590 CO 0.17 -0.35 -0.15 0.42 0.98 0.00 0.00 173.24 174.30 2dx0 s THR 591 N 2.06 1.68 -0.05 2.02 -4.23 -0.39 -4.88 115.64 111.84 2dx0 s THR 591 Ca 0.02 -2.03 -0.21 0.00 -1.18 0.00 0.00 61.69 58.30 2dx0 s THR 591 Cb -0.16 -1.89 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 2dx0 s THR 591 CO -0.13 -0.48 0.59 -0.04 -0.54 0.00 0.00 174.62 174.02 2dx0 s MET 592 N -3.22 4.35 -0.24 3.99 -1.94 -1.26 -0.21 119.30 120.77 2dx0 s MET 592 Ca 0.18 0.70 -0.01 0.00 -1.71 0.00 0.00 55.69 54.85 2dx0 s MET 592 Cb -0.03 -3.39 0.07 0.00 2.01 0.00 0.00 34.83 33.49 2dx0 s MET 592 CO 0.06 0.23 0.02 -2.00 -0.01 0.00 0.00 175.02 173.32 2dx0 s GLU 593 N 0.29 0.98 -1.32 2.03 2.12 0.15 -4.80 118.70 118.14 2dx0 s GLU 593 Ca 0.31 -0.79 -0.03 0.00 0.36 0.00 0.00 54.97 54.83 2dx0 s GLU 593 Cb -0.17 -2.25 0.01 0.00 0.26 0.00 0.00 34.13 31.98 2dx0 s GLU 593 CO 0.16 -0.72 0.86 -1.71 -0.54 0.00 0.00 175.26 173.30 2dx0 n ASN 594 N 4.87 -2.36 0.00 -1.70 4.05 -1.26 -1.71 115.26 117.15 2dx0 n ASN 594 Ca -0.08 -0.74 0.00 0.00 0.45 0.00 0.00 54.58 54.21 2dx0 n ASN 594 Cb 0.45 -4.38 0.00 0.00 1.23 0.00 0.00 39.78 37.08 2dx0 n ASN 594 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2dx0 n GLY 595 N -1.52 0.46 3.09 8.20 0.00 -1.26 -5.02 105.19 109.14 2dx0 n GLY 595 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 2dx0 n GLY 595 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dx0 s VAL 596 N -1.99 1.30 0.15 1.61 1.01 -0.69 -5.11 120.40 116.67 2dx0 s VAL 596 Ca 0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 2dx0 s VAL 596 Cb 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 36.38 35.17 2dx0 s VAL 596 CO 0.00 0.38 1.31 -0.04 0.00 0.00 0.00 175.10 176.75 2dx0 s MET 597 N 0.22 4.38 -0.02 2.72 -1.94 -1.26 0.29 119.30 123.69 2dx0 s MET 597 Ca -0.07 2.01 0.06 0.00 -1.71 0.00 0.00 55.69 55.98 2dx0 s MET 597 Cb -0.12 -3.23 -0.01 0.00 2.01 0.00 0.00 34.83 33.47 2dx0 s MET 597 CO 0.03 -0.30 -0.20 0.15 -0.01 0.00 0.00 175.02 174.69 2dx0 s LYS 598 N 0.40 1.76 0.00 2.03 -0.14 0.71 -4.40 119.74 120.09 2dx0 s LYS 598 Ca 0.59 -0.72 0.08 0.00 -1.36 0.00 0.00 55.97 54.56 2dx0 s LYS 598 Cb -0.35 -1.64 -0.02 0.00 -1.68 0.00 0.00 37.83 34.13 2dx0 s LYS 598 CO 0.34 0.40 -0.25 0.71 -0.76 0.00 0.00 175.35 175.79 2dx0 s TYR 599 N -0.36 2.22 -0.04 3.18 2.02 0.02 -1.26 117.35 123.14 2dx0 s TYR 599 Ca 0.05 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 56.04 2dx0 s TYR 599 Cb -0.09 -1.40 0.11 0.00 -0.40 0.00 0.00 41.96 40.18 2dx0 s TYR 599 CO 0.00 0.01 0.90 1.52 -1.57 0.00 0.00 175.55 176.41 2dx0 s TYR 600 N -0.65 -0.36 -0.23 2.71 -0.85 -0.61 -0.86 117.35 116.49 2dx0 s TYR 600 Ca 0.10 0.32 -0.19 0.00 -0.52 0.00 0.00 57.07 56.78 2dx0 s TYR 600 Cb -0.10 0.52 -0.17 0.00 0.38 0.00 0.00 41.96 42.59 2dx0 s TYR 600 CO -0.00 -0.51 0.03 1.28 -1.52 0.00 0.00 175.55 174.83 2dx0 n LEU 601 N -0.02 1.89 -4.26 -3.49 4.77 -1.26 -1.07 117.00 113.56 2dx0 n LEU 601 Ca -0.09 0.40 -0.28 0.00 -0.03 0.00 0.00 56.01 56.00 2dx0 n LEU 601 Cb 0.61 -0.92 -0.16 0.00 -2.33 0.00 0.00 43.42 40.62 2dx0 n LEU 601 CO 0.12 0.37 -0.54 0.42 -1.33 0.00 0.00 177.39 176.43 2dx0 s THR 602 N -2.41 1.81 -1.21 -5.08 -4.23 -1.26 -3.82 115.64 99.44 2dx0 s THR 602 Ca -0.32 -1.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 2dx0 s THR 602 Cb 0.09 -1.51 0.00 0.00 1.34 0.00 0.00 72.50 72.42 2dx0 s THR 602 CO 0.56 0.48 0.25 -0.90 -0.54 0.00 0.00 174.62 174.46 2dx0 n ASP 603 N 2.42 0.32 0.12 3.99 5.68 -1.26 -2.73 116.55 125.09 2dx0 n ASP 603 Ca -0.16 -0.82 -0.20 0.00 -0.50 0.00 0.00 54.79 53.12 2dx0 n ASP 603 Cb 0.52 -0.16 -0.15 0.00 -1.14 0.00 0.00 41.12 40.19 2dx0 n ASP 603 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 2dx0 h ASN 604 N 0.47 0.62 -3.42 -1.12 4.21 -2.00 -3.44 115.58 110.90 2dx0 h ASN 604 Ca 0.00 -0.67 -0.29 0.00 1.21 0.00 0.00 56.30 56.55 2dx0 h ASN 604 Cb 0.16 -0.20 -0.34 0.00 -1.12 0.00 0.00 38.32 36.82 2dx0 h ASN 604 CO 0.00 1.53 -0.68 -1.48 -1.29 0.00 0.00 177.43 175.51 2dx0 s LEU 605 N -7.35 0.71 0.31 1.61 2.34 -1.11 -5.15 118.68 110.04 2dx0 s LEU 605 Ca -0.06 0.16 0.09 0.00 0.06 0.00 0.00 54.13 54.38 2dx0 s LEU 605 Cb 0.06 0.10 -0.05 0.00 -0.56 0.00 0.00 46.19 45.74 2dx0 s LEU 605 CO 0.91 -0.16 0.05 0.42 -1.06 0.00 0.00 176.35 176.51 2dx0 s THR 606 N 1.39 3.11 0.04 5.48 -4.23 -1.26 -4.55 115.64 115.61 2dx0 s THR 606 Ca -0.06 -1.85 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 2dx0 s THR 606 Cb -0.12 -2.88 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 2dx0 s THR 606 CO -0.04 -0.26 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.34 2dx0 s PHE 607 N -2.41 0.62 -1.52 3.99 0.40 -0.04 -4.92 117.98 114.10 2dx0 s PHE 607 Ca 0.34 -0.51 0.30 0.00 -0.60 0.00 0.00 56.93 56.47 2dx0 s PHE 607 Cb -0.04 -0.38 1.47 0.00 0.51 0.00 0.00 43.02 44.59 2dx0 s PHE 607 CO 0.21 -0.10 2.02 0.09 0.70 0.00 0.00 175.22 178.14 2dx0 n ASN 608 N 1.47 0.12 -3.62 1.36 3.02 -1.26 -0.80 115.26 115.55 2dx0 n ASN 608 Ca -0.23 -0.32 -0.13 0.00 -0.03 0.00 0.00 54.58 53.88 2dx0 n ASN 608 Cb 0.55 -0.21 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 2dx0 n ASN 608 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2dx0 s SER 609 N -2.51 -0.34 0.27 6.41 1.04 -1.26 -4.88 113.70 112.43 2dx0 s SER 609 Ca 0.30 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.76 2dx0 s SER 609 Cb 0.20 0.46 0.36 0.00 0.10 0.00 0.00 66.02 67.14 2dx0 s SER 609 CO 0.46 -0.71 1.73 0.40 0.98 0.00 0.00 173.24 176.10 2dx0 h ILE 610 N 2.84 1.25 -0.45 -1.02 2.04 -1.88 -2.62 117.51 117.68 2dx0 h ILE 610 Ca -0.31 -1.16 0.09 0.00 1.00 0.00 0.00 64.86 64.48 2dx0 h ILE 610 Cb 1.22 1.16 -0.09 0.00 -0.74 0.00 0.00 36.82 38.36 2dx0 h ILE 610 CO 0.43 0.38 -0.23 0.22 0.00 0.00 0.00 178.15 178.95 2dx0 h TYR 611 N 0.57 -0.60 -0.16 1.37 3.20 -1.95 0.16 116.97 119.57 2dx0 h TYR 611 Ca 0.09 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 2dx0 h TYR 611 Cb 0.59 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 2dx0 h TYR 611 CO 0.02 -0.31 -0.26 0.00 -1.64 0.00 0.00 178.16 175.97 2dx0 h ALA 612 N 1.12 1.27 -0.39 1.82 0.00 -1.91 -1.26 119.26 119.91 2dx0 h ALA 612 Ca 0.21 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2dx0 h ALA 612 Cb 0.47 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2dx0 h ALA 612 CO -0.53 0.49 -0.01 1.25 0.00 0.00 0.00 179.25 180.44 2dx0 h LEU 613 N 0.26 0.69 0.02 0.00 6.46 -0.81 -1.79 115.31 120.14 2dx0 h LEU 613 Ca 0.04 -0.32 -0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2dx0 h LEU 613 Cb 0.60 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 2dx0 h LEU 613 CO 0.04 0.84 -0.01 0.40 -0.62 0.00 0.00 178.44 179.09 2dx0 h ILE 614 N 0.52 1.12 -0.97 4.05 1.08 -0.40 -2.14 117.51 120.76 2dx0 h ILE 614 Ca 0.11 -0.43 0.03 0.00 -0.39 0.00 0.00 64.86 64.18 2dx0 h ILE 614 Cb 0.49 1.40 -0.05 0.00 -3.07 0.00 0.00 36.82 35.59 2dx0 h ILE 614 CO 0.02 0.11 0.64 1.56 -0.69 0.00 0.00 178.15 179.79 2dx0 h GLN 615 N -0.21 1.22 -0.29 2.37 1.08 -1.22 -2.14 115.11 115.91 2dx0 h GLN 615 Ca -0.00 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 2dx0 h GLN 615 Cb 0.20 -0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 2dx0 h GLN 615 CO 0.01 0.81 0.19 1.25 -0.95 0.00 0.00 178.83 180.13 2dx0 h HIS 616 N 1.26 0.37 0.00 2.96 -0.00 -1.17 -1.98 115.15 116.59 2dx0 h HIS 616 Ca 0.38 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.75 2dx0 h HIS 616 Cb -0.05 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.24 2dx0 h HIS 616 CO -0.00 0.25 0.00 0.66 -0.00 0.00 0.00 177.93 178.84 2dx0 n TYR 617 N -4.87 0.00 0.87 5.26 4.02 -0.82 -1.16 117.16 120.46 2dx0 n TYR 617 Ca -0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.98 2dx0 n TYR 617 Cb 0.03 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.30 2dx0 n TYR 617 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2dx0 n ARG 618 N -0.61 0.08 -0.00 -0.72 1.74 -0.75 -4.23 116.66 112.17 2dx0 n ARG 618 Ca 0.05 -0.02 0.01 0.00 -0.77 0.00 0.00 57.85 57.12 2dx0 n ARG 618 Cb 0.02 -1.51 -0.01 0.00 -1.02 0.00 0.00 32.46 29.94 2dx0 n ARG 618 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2dx0 n GLU 619 N -1.61 4.30 -4.12 5.56 -0.58 -0.58 -5.03 120.64 118.59 2dx0 n GLU 619 Ca 0.03 -0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.62 2dx0 n GLU 619 Cb 0.36 -0.73 -0.14 0.00 -0.57 0.00 0.00 31.44 30.36 2dx0 n GLU 619 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dx0 s ALA 620 N -1.46 0.37 0.47 0.62 0.00 -0.31 -5.12 121.76 116.34 2dx0 s ALA 620 Ca 0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 2dx0 s ALA 620 Cb 0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.95 2dx0 s ALA 620 CO 0.06 0.09 1.14 0.72 0.00 0.00 0.00 175.76 177.77 2dx0 n HIS 621 N 2.95 1.61 -2.13 0.00 8.25 -1.26 -4.37 115.22 120.28 2dx0 n HIS 621 Ca -0.13 0.50 -0.35 0.00 -0.26 0.00 0.00 57.72 57.48 2dx0 n HIS 621 Cb 0.58 -2.29 0.02 0.00 1.12 0.00 0.00 29.99 29.43 2dx0 n HIS 621 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2dx0 s LEU 622 N -1.59 3.70 -0.39 2.41 1.43 -1.26 -4.99 118.68 117.98 2dx0 s LEU 622 Ca 0.66 2.27 0.03 0.00 -1.03 0.00 0.00 54.13 56.05 2dx0 s LEU 622 Cb -0.50 -4.59 0.16 0.00 0.03 0.00 0.00 46.19 41.30 2dx0 s LEU 622 CO 0.55 -1.41 0.36 -0.60 0.23 0.00 0.00 176.35 175.48 2dx0 s ARG 623 N -3.34 0.71 0.47 1.70 6.06 -1.26 -5.15 118.95 118.14 2dx0 s ARG 623 Ca 0.75 -1.24 -0.17 0.00 -2.50 0.00 0.00 55.73 52.57 2dx0 s ARG 623 Cb -0.27 -0.93 -0.09 0.00 0.06 0.00 0.00 34.95 33.73 2dx0 s ARG 623 CO 0.30 -1.25 0.94 0.00 -2.50 0.00 0.00 175.30 172.79 2dx0 h ALA 625 N 1.30 1.04 0.00 0.00 0.00 -1.87 -2.85 119.26 116.88 2dx0 h ALA 625 Ca -0.47 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2dx0 h ALA 625 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2dx0 h ALA 625 CO 0.62 0.14 0.00 -0.85 0.00 0.00 0.00 179.25 179.16 2dx0 n GLU 626 N -3.28 0.06 0.00 0.00 0.00 -1.26 -1.68 120.64 114.48 2dx0 n GLU 626 Ca -0.00 0.26 0.03 0.00 0.00 0.00 0.00 57.16 57.44 2dx0 n GLU 626 Cb 0.34 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.29 2dx0 n GLU 626 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2dx0 n PHE 627 N -1.42 0.00 -1.50 -1.84 3.01 -1.08 -4.82 117.46 109.81 2dx0 n PHE 627 Ca 0.04 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.10 2dx0 n PHE 627 Cb 0.11 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.57 2dx0 n PHE 627 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2dx0 n GLU 628 N -0.05 3.03 -3.79 -1.08 1.02 -0.68 -4.82 120.64 114.28 2dx0 n GLU 628 Ca 0.03 -2.36 -0.04 0.00 -0.02 0.00 0.00 57.16 54.77 2dx0 n GLU 628 Cb 0.12 -3.06 -0.01 0.00 -0.02 0.00 0.00 31.44 28.48 2dx0 n GLU 628 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2dx0 s LEU 629 N 1.33 -0.15 0.12 -4.62 2.34 -1.26 -5.06 118.68 111.38 2dx0 s LEU 629 Ca 0.55 -0.50 0.04 0.00 0.06 0.00 0.00 54.13 54.28 2dx0 s LEU 629 Cb 0.15 2.23 -0.04 0.00 -0.56 0.00 0.00 46.19 47.98 2dx0 s LEU 629 CO -0.06 -0.99 0.12 -0.13 -1.06 0.00 0.00 176.35 174.22 2dx0 s ARG 630 N -3.14 2.96 0.57 1.48 0.52 -1.26 -5.09 118.95 114.99 2dx0 s ARG 630 Ca 0.14 -0.74 -0.18 0.00 -0.52 0.00 0.00 55.73 54.42 2dx0 s ARG 630 Cb -0.02 -2.73 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 2dx0 s ARG 630 CO 0.04 0.53 1.11 -0.51 0.02 0.00 0.00 175.30 176.49 2dx0 s LEU 631 N -2.73 3.65 0.00 2.53 1.43 -1.26 -5.00 118.68 117.29 2dx0 s LEU 631 Ca 0.31 2.07 0.00 0.00 -1.03 0.00 0.00 54.13 55.47 2dx0 s LEU 631 Cb -0.11 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.54 2dx0 s LEU 631 CO 0.23 -1.27 0.00 0.35 0.23 0.00 0.00 176.35 175.90 2dx0 n THR 632 N -1.61 0.00 -4.68 5.49 -2.24 -1.26 -5.10 114.28 104.88 2dx0 n THR 632 Ca 0.11 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.56 2dx0 n THR 632 Cb 0.52 -0.13 -0.13 0.00 -2.10 0.00 0.00 70.33 68.49 2dx0 n THR 632 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2dx0 s ASP 633 N 0.66 4.31 0.21 3.42 -0.00 -1.26 -5.10 116.67 118.91 2dx0 s ASP 633 Ca 0.00 -0.20 -0.30 0.00 -0.00 0.00 0.00 52.55 52.05 2dx0 s ASP 633 Cb 0.00 -1.44 -0.08 0.00 -0.00 0.00 0.00 42.92 41.39 2dx0 s ASP 633 CO 0.00 0.23 1.09 -2.16 -0.00 0.00 0.00 175.17 174.33 2dx0 s PRO 634 N -0.04 4.62 0.20 8.23 0.04 -1.26 -4.96 135.00 141.84 2dx0 s PRO 634 Ca -0.02 1.72 -0.31 0.00 0.04 0.00 0.00 61.00 62.43 2dx0 s PRO 634 Cb -0.14 -3.26 -0.11 0.00 0.04 0.00 0.00 34.50 31.04 2dx0 s PRO 634 CO 0.03 0.14 1.62 0.08 0.04 0.00 0.00 177.00 178.91 2dx0 s VAL 635 N -0.52 2.33 -1.99 -0.36 1.01 -1.26 -5.34 120.40 114.27 2dx0 s VAL 635 Ca 0.48 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2dx0 s VAL 635 Cb -0.30 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2dx0 s VAL 635 CO 0.36 0.02 0.50 -2.65 0.00 0.00 0.00 175.10 173.33