#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h52 h THR 529 N 0.00 1.29 -2.80 1.96 2.02 -2.08 -3.47 112.91 109.84 3h52 h THR 529 Ca 0.00 -1.07 -0.58 0.00 0.77 0.00 0.00 66.41 65.53 3h52 h THR 529 Cb 0.00 1.60 -0.07 0.00 -1.74 0.00 0.00 68.15 67.95 3h52 h THR 529 CO 0.00 0.32 -0.56 -2.16 0.37 0.00 0.00 175.52 173.50 3h52 s PRO 530 N -4.69 3.00 0.38 6.66 0.05 -1.26 -5.06 135.00 134.08 3h52 s PRO 530 Ca -0.14 -0.77 -0.07 0.00 0.05 0.00 0.00 61.00 60.07 3h52 s PRO 530 Cb 0.06 -2.73 -0.05 0.00 0.05 0.00 0.00 34.50 31.83 3h52 s PRO 530 CO 0.75 0.51 0.69 0.95 0.05 0.00 0.00 177.00 179.95 3h52 s THR 531 N -1.66 4.90 0.25 1.26 -4.23 -1.26 -4.96 115.64 109.94 3h52 s THR 531 Ca 0.31 0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 61.01 3h52 s THR 531 Cb -0.11 -3.76 0.35 0.00 1.34 0.00 0.00 72.50 70.32 3h52 s THR 531 CO 0.24 -0.52 1.49 0.18 -0.54 0.00 0.00 174.62 175.47 3h52 n LEU 532 N -1.39 -0.46 -0.09 4.79 4.77 -1.26 0.11 117.00 123.47 3h52 n LEU 532 Ca 0.00 1.66 0.00 0.00 -0.03 0.00 0.00 56.01 57.64 3h52 n LEU 532 Cb 0.54 -0.45 0.29 0.00 -2.33 0.00 0.00 43.42 41.47 3h52 n LEU 532 CO 0.49 -1.55 1.07 0.58 -1.33 0.00 0.00 177.39 176.65 3h52 h VAL 533 N 0.00 1.18 -0.80 4.08 2.07 -2.00 -2.31 116.25 118.47 3h52 h VAL 533 Ca 0.41 -0.55 0.16 0.00 0.82 0.00 0.00 66.70 67.54 3h52 h VAL 533 Cb 0.64 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 3h52 h VAL 533 CO -0.97 0.22 0.53 0.28 0.02 0.00 0.00 177.57 177.65 3h52 h SER 534 N 0.72 0.40 -0.10 0.57 0.02 0.36 -0.81 113.55 114.71 3h52 h SER 534 Ca 0.18 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 61.05 3h52 h SER 534 Cb 0.12 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3h52 h SER 534 CO -0.02 0.20 -0.32 0.25 -1.14 0.00 0.00 176.83 175.79 3h52 h LEU 535 N 0.42 0.45 -1.52 5.07 5.85 -1.27 -1.34 115.31 122.98 3h52 h LEU 535 Ca 0.40 -0.61 0.26 0.00 0.84 0.00 0.00 57.88 58.77 3h52 h LEU 535 Cb 0.94 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.76 3h52 h LEU 535 CO -0.14 0.99 0.68 -0.07 -0.34 0.00 0.00 178.44 179.56 3h52 h LEU 536 N -0.05 0.35 -0.00 2.25 3.38 -1.09 0.19 115.31 120.33 3h52 h LEU 536 Ca -0.01 0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.81 3h52 h LEU 536 Cb 0.95 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.72 3h52 h LEU 536 CO 0.07 0.08 -0.81 -0.08 0.09 0.00 0.00 178.44 177.79 3h52 h GLU 537 N 0.32 0.55 -0.21 1.13 4.81 -1.14 -2.57 114.58 117.47 3h52 h GLU 537 Ca 0.55 -0.59 -0.09 0.00 -0.13 0.00 0.00 59.36 59.11 3h52 h GLU 537 Cb 1.55 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.09 3h52 h GLU 537 CO -0.21 1.21 -0.25 0.28 -0.73 0.00 0.00 179.01 179.31 3h52 h VAL 538 N 0.13 1.26 -0.02 0.32 2.07 0.16 -3.16 116.25 117.01 3h52 h VAL 538 Ca -0.10 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.21 3h52 h VAL 538 Cb 1.49 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 3h52 h VAL 538 CO 0.16 0.38 -0.23 2.30 0.02 0.00 0.00 177.57 180.20 3h52 n ILE 539 N -4.13 0.00 -1.76 4.57 -5.35 0.49 -4.94 119.36 108.24 3h52 n ILE 539 Ca -0.01 -0.29 -0.42 0.00 -0.27 0.00 0.00 62.75 61.76 3h52 n ILE 539 Cb 0.39 1.02 -0.03 0.00 -1.74 0.00 0.00 39.64 39.28 3h52 n ILE 539 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 3h52 s GLU 540 N -2.28 4.15 0.49 6.28 2.56 -0.97 -4.89 118.70 124.04 3h52 s GLU 540 Ca 0.25 2.55 -0.22 0.00 0.00 0.00 0.00 54.97 57.56 3h52 s GLU 540 Cb 0.19 -3.44 -0.09 0.00 2.00 0.00 0.00 34.13 32.79 3h52 s GLU 540 CO 0.45 -0.79 0.91 -2.30 -0.56 0.00 0.00 175.26 172.97 3h52 n PRO 541 N 5.15 1.08 -1.72 4.30 -0.02 -1.26 -4.96 135.00 137.57 3h52 n PRO 541 Ca 0.17 0.40 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 3h52 n PRO 541 Cb 0.38 -2.01 0.11 0.00 -0.02 0.00 0.00 33.50 31.96 3h52 n PRO 541 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3h52 s GLU 542 N -2.22 1.61 0.14 -0.52 2.02 -1.26 -4.96 118.70 113.52 3h52 s GLU 542 Ca 0.67 0.22 -0.34 0.00 0.02 0.00 0.00 54.97 55.54 3h52 s GLU 542 Cb -0.50 -1.90 -0.14 0.00 0.10 0.00 0.00 34.13 31.69 3h52 s GLU 542 CO 0.54 -1.86 1.55 0.28 0.02 0.00 0.00 175.26 175.79 3h52 n VAL 543 N -3.52 0.02 -4.12 2.63 0.31 -1.26 -4.99 118.33 107.40 3h52 n VAL 543 Ca 0.07 -0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 64.06 3h52 n VAL 543 Cb 0.60 -1.45 -0.15 0.00 -0.91 0.00 0.00 33.84 31.93 3h52 n VAL 543 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 3h52 s LEU 544 N 0.95 2.50 0.21 7.52 2.96 -1.26 -5.12 118.68 126.44 3h52 s LEU 544 Ca 0.80 -0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 54.12 3h52 s LEU 544 Cb -0.72 -1.60 -0.07 0.00 0.50 0.00 0.00 46.19 44.31 3h52 s LEU 544 CO 0.39 0.01 0.51 -0.31 -1.32 0.00 0.00 176.35 175.63 3h52 s TYR 545 N 1.27 3.44 0.02 5.38 2.02 -1.26 -4.99 117.35 123.22 3h52 s TYR 545 Ca 0.03 0.79 0.16 0.00 -0.37 0.00 0.00 57.07 57.68 3h52 s TYR 545 Cb -0.14 -2.19 0.32 0.00 -0.40 0.00 0.00 41.96 39.55 3h52 s TYR 545 CO -0.07 0.31 1.56 0.00 -1.57 0.00 0.00 175.55 175.78 3h52 h ALA 546 N 2.59 0.79 0.00 3.71 0.00 -2.00 -3.47 119.26 120.87 3h52 h ALA 546 Ca -0.47 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3h52 h ALA 546 Cb 1.17 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3h52 h ALA 546 CO 0.70 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.98 3h52 n GLY 547 N 0.78 0.42 3.71 0.00 0.00 -1.26 -4.99 105.19 103.85 3h52 n GLY 547 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3h52 n GLY 547 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h52 s TYR 548 N -1.97 3.15 -0.34 1.61 5.04 -1.26 -4.52 117.35 119.05 3h52 s TYR 548 Ca 0.00 0.97 -0.01 0.00 -2.44 0.00 0.00 57.07 55.59 3h52 s TYR 548 Cb 0.00 -3.63 0.11 0.00 0.35 0.00 0.00 41.96 38.80 3h52 s TYR 548 CO 0.00 -2.21 0.15 0.34 -1.34 0.00 0.00 175.55 172.50 3h52 s ASP 549 N 1.36 3.70 0.56 4.32 2.15 -1.26 -4.99 116.67 122.51 3h52 s ASP 549 Ca 0.63 -1.88 0.38 0.00 0.43 0.00 0.00 52.55 52.10 3h52 s ASP 549 Cb -0.34 -0.75 2.01 0.00 -0.30 0.00 0.00 42.92 43.55 3h52 s ASP 549 CO 0.29 -0.37 2.15 0.77 -0.17 0.00 0.00 175.17 177.84 3h52 h SER 550 N 7.67 0.00 0.00 -0.34 4.64 -2.02 -2.33 113.55 121.18 3h52 h SER 550 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3h52 h SER 550 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3h52 h SER 550 CO 0.44 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.86 3h52 n SER 551 N -2.84 0.00 -4.13 4.97 3.41 -1.26 -4.63 113.62 109.13 3h52 n SER 551 Ca -0.02 -1.27 -0.33 0.00 -0.26 0.00 0.00 58.87 56.98 3h52 n SER 551 Cb 0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.87 3h52 n SER 551 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3h52 s VAL 552 N -2.00 2.17 0.47 -3.33 1.01 -0.88 -5.11 120.40 112.73 3h52 s VAL 552 Ca 0.01 -0.91 -0.22 0.00 0.00 0.00 0.00 61.98 60.86 3h52 s VAL 552 Cb 0.00 -1.92 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 3h52 s VAL 552 CO 0.01 0.52 0.81 -2.65 0.00 0.00 0.00 175.10 173.79 3h52 n PRO 553 N 4.63 0.95 -0.24 2.72 -0.02 -1.26 -4.80 135.00 136.97 3h52 n PRO 553 Ca -0.21 0.35 -0.06 0.00 -2.02 0.00 0.00 63.50 61.56 3h52 n PRO 553 Cb 0.50 -1.87 0.08 0.00 -0.02 0.00 0.00 33.50 32.19 3h52 n PRO 553 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3h52 h ASP 554 N 0.99 1.04 -0.18 2.55 3.32 -1.97 -1.23 116.42 120.93 3h52 h ASP 554 Ca -0.44 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 56.45 3h52 h ASP 554 Cb 1.37 -0.27 -0.07 0.00 0.22 0.00 0.00 39.33 40.58 3h52 h ASP 554 CO 0.53 0.98 -0.38 0.77 -1.72 0.00 0.00 179.24 179.42 3h52 h SER 555 N 1.05 -1.19 -0.56 6.45 4.64 -2.00 -1.28 113.55 120.65 3h52 h SER 555 Ca 0.22 0.17 0.01 0.00 -0.47 0.00 0.00 61.79 61.72 3h52 h SER 555 Cb 0.34 0.50 -0.03 0.00 -0.31 0.00 0.00 62.40 62.90 3h52 h SER 555 CO -0.00 -0.39 0.37 0.74 -0.87 0.00 0.00 176.83 176.68 3h52 h THR 556 N -0.42 1.13 -0.01 2.95 2.02 -1.85 -2.76 112.91 113.96 3h52 h THR 556 Ca 0.10 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 67.03 3h52 h THR 556 Cb 0.59 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 3h52 h THR 556 CO -0.41 0.14 -0.02 -0.25 0.37 0.00 0.00 175.52 175.35 3h52 h TRP 557 N 0.75 -0.04 0.44 3.16 7.01 -0.89 -0.98 115.95 125.39 3h52 h TRP 557 Ca 0.21 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.20 3h52 h TRP 557 Cb -0.07 0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 3h52 h TRP 557 CO -0.04 -0.03 -0.28 0.00 -2.79 0.00 0.00 178.44 175.30 3h52 h ARG 558 N -0.03 -0.67 -0.28 2.65 3.08 -1.15 0.52 114.38 118.50 3h52 h ARG 558 Ca 0.01 0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.12 3h52 h ARG 558 Cb 0.04 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3h52 h ARG 558 CO -0.03 -0.45 0.16 0.82 -1.07 0.00 0.00 179.97 179.40 3h52 h ILE 559 N -0.70 1.02 -0.24 2.04 2.04 -1.47 0.49 117.51 120.70 3h52 h ILE 559 Ca -0.05 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.66 3h52 h ILE 559 Cb 0.58 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3h52 h ILE 559 CO 0.04 0.06 -0.02 0.24 0.00 0.00 0.00 178.15 178.47 3h52 h MET 560 N 0.33 0.44 -0.81 2.37 2.86 -1.07 0.18 114.93 119.23 3h52 h MET 560 Ca 0.11 -0.15 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 3h52 h MET 560 Cb 0.01 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.58 3h52 h MET 560 CO -0.06 0.64 0.53 1.15 1.06 0.00 0.00 176.91 180.23 3h52 h THR 561 N 0.20 1.03 0.09 2.22 2.02 0.33 0.25 112.91 119.05 3h52 h THR 561 Ca 0.07 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 3h52 h THR 561 Cb 0.46 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3h52 h THR 561 CO 0.02 0.16 -0.04 0.74 0.37 0.00 0.00 175.52 176.76 3h52 h THR 562 N 0.87 1.13 0.00 3.16 2.02 0.31 -2.63 112.91 117.77 3h52 h THR 562 Ca 0.35 -1.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.19 3h52 h THR 562 Cb 0.26 1.93 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 3h52 h THR 562 CO -0.13 0.30 -0.02 -0.07 0.37 0.00 0.00 175.52 175.98 3h52 h LEU 563 N -0.79 0.00 0.05 2.58 3.38 -0.56 0.28 115.31 120.24 3h52 h LEU 563 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3h52 h LEU 563 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3h52 h LEU 563 CO 0.02 0.02 -0.02 -1.13 0.09 0.00 0.00 178.44 177.42 3h52 h ASN 564 N 0.00 -0.05 0.04 -0.43 -1.24 -0.35 0.28 115.58 113.82 3h52 h ASN 564 Ca -0.00 -0.18 -0.25 0.00 0.71 0.00 0.00 56.30 56.58 3h52 h ASN 564 Cb 0.04 0.01 0.02 0.00 0.73 0.00 0.00 38.32 39.12 3h52 h ASN 564 CO 0.00 0.15 -0.97 0.00 -1.29 0.00 0.00 177.43 175.32 3h52 h MET 565 N -0.26 0.66 -0.97 6.67 -0.00 -1.00 -2.47 114.93 117.57 3h52 h MET 565 Ca -0.01 -0.67 0.10 0.00 -0.00 0.00 0.00 59.70 59.12 3h52 h MET 565 Cb 0.23 0.18 -0.08 0.00 -0.00 0.00 0.00 31.60 31.93 3h52 h MET 565 CO 0.01 1.27 0.60 1.25 -0.00 0.00 0.00 176.91 180.04 3h52 h LEU 566 N 0.39 0.90 -0.04 -0.10 5.85 -0.49 -2.02 115.31 119.80 3h52 h LEU 566 Ca -0.10 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3h52 h LEU 566 Cb 1.61 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 42.49 3h52 h LEU 566 CO 0.19 0.51 0.03 1.23 -0.34 0.00 0.00 178.44 180.06 3h52 h GLY 567 N 1.00 0.06 0.99 3.75 0.00 -0.27 0.41 103.07 109.01 3h52 h GLY 567 Ca 0.46 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.77 3h52 h GLY 567 CO -0.24 0.02 0.31 -1.33 0.00 0.00 0.00 176.54 175.30 3h52 h GLY 568 N 0.06 0.72 1.02 4.60 0.00 -1.13 -0.83 103.07 107.51 3h52 h GLY 568 Ca 0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 3h52 h GLY 568 CO -0.00 0.29 0.24 3.21 0.00 0.00 0.00 176.54 180.28 3h52 h ARG 569 N 0.67 1.03 -0.14 4.80 3.08 -1.22 -2.14 114.38 120.47 3h52 h ARG 569 Ca 0.18 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3h52 h ARG 569 Cb -0.03 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3h52 h ARG 569 CO -0.04 0.87 0.07 1.96 -1.07 0.00 0.00 179.97 181.76 3h52 h GLN 570 N 0.97 0.20 -0.60 0.04 4.20 -0.46 -1.33 115.11 118.14 3h52 h GLN 570 Ca 0.22 -0.03 0.12 0.00 0.06 0.00 0.00 58.65 59.02 3h52 h GLN 570 Cb 0.25 -0.04 -0.12 0.00 0.30 0.00 0.00 27.48 27.88 3h52 h GLN 570 CO -0.01 0.24 -0.21 0.28 -0.67 0.00 0.00 178.83 178.46 3h52 h VAL 571 N 0.10 0.31 0.07 -0.54 2.07 -0.90 0.58 116.25 117.93 3h52 h VAL 571 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3h52 h VAL 571 Cb 0.11 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.19 3h52 h VAL 571 CO -0.01 0.00 -0.06 0.40 0.02 0.00 0.00 177.57 177.93 3h52 h ILE 572 N -0.07 0.87 -0.98 4.57 2.04 -1.08 -0.44 117.51 122.43 3h52 h ILE 572 Ca 0.27 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.34 3h52 h ILE 572 Cb 0.49 0.87 -0.11 0.00 -0.74 0.00 0.00 36.82 37.34 3h52 h ILE 572 CO -0.64 0.00 0.58 0.00 0.00 0.00 0.00 178.15 178.08 3h52 h ALA 573 N 0.80 1.65 -0.71 1.87 0.00 -0.36 -0.88 119.26 121.63 3h52 h ALA 573 Ca -0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3h52 h ALA 573 Cb 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3h52 h ALA 573 CO -0.01 -0.13 0.34 0.00 0.00 0.00 0.00 179.25 179.45 3h52 h ALA 574 N 1.67 0.92 -0.43 0.00 0.00 0.15 -2.07 119.26 119.50 3h52 h ALA 574 Ca 0.59 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 3h52 h ALA 574 Cb 0.97 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3h52 h ALA 574 CO -0.42 0.49 -0.10 0.28 0.00 0.00 0.00 179.25 179.50 3h52 h VAL 575 N 1.00 1.27 -0.12 0.00 2.07 0.25 -2.00 116.25 118.73 3h52 h VAL 575 Ca 0.24 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 3h52 h VAL 575 Cb 0.13 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3h52 h VAL 575 CO -0.03 0.41 0.04 0.11 0.02 0.00 0.00 177.57 178.12 3h52 h LYS 576 N 0.65 0.17 -0.50 1.57 1.57 -1.33 -1.75 116.57 116.95 3h52 h LYS 576 Ca 0.11 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 3h52 h LYS 576 Cb 0.64 -0.03 -0.10 0.00 0.08 0.00 0.00 32.23 32.82 3h52 h LYS 576 CO 0.04 0.29 -0.44 2.35 -0.57 0.00 0.00 179.45 181.13 3h52 h TRP 577 N 0.02 -1.30 -0.85 -1.35 7.01 -1.32 -0.99 115.95 117.17 3h52 h TRP 577 Ca 0.04 0.08 0.14 0.00 2.11 0.00 0.00 58.89 61.26 3h52 h TRP 577 Cb 0.19 0.64 -0.06 0.00 -2.10 0.00 0.00 29.16 27.82 3h52 h TRP 577 CO -0.01 -0.43 0.55 0.00 -2.79 0.00 0.00 178.44 175.76 3h52 h ALA 578 N 0.50 1.90 0.00 2.65 0.00 -1.08 0.48 119.26 123.70 3h52 h ALA 578 Ca 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3h52 h ALA 578 Cb 0.57 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3h52 h ALA 578 CO -0.64 -0.12 -0.01 0.87 0.00 0.00 0.00 179.25 179.35 3h52 h LYS 579 N 0.63 0.00 -0.01 0.00 1.57 -0.29 -2.74 116.57 115.73 3h52 h LYS 579 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3h52 h LYS 579 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 3h52 h LYS 579 CO -0.18 0.01 -0.49 0.00 -0.57 0.00 0.00 179.45 178.22 3h52 n ALA 580 N -2.10 3.59 -2.34 3.86 0.00 0.16 -4.58 120.51 119.11 3h52 n ALA 580 Ca -0.01 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.49 3h52 n ALA 580 Cb 0.23 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.71 3h52 n ALA 580 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3h52 s ILE 581 N -2.64 4.14 0.30 0.00 1.01 -1.03 -4.96 121.20 118.02 3h52 s ILE 581 Ca 0.18 1.39 -0.29 0.00 0.00 0.00 0.00 60.65 61.92 3h52 s ILE 581 Cb 0.18 -3.89 -0.13 0.00 0.01 0.00 0.00 42.46 38.63 3h52 s ILE 581 CO 0.62 -0.12 1.25 -2.65 0.00 0.00 0.00 174.94 174.04 3h52 n PRO 582 N 6.68 1.90 0.00 2.79 -0.02 -1.26 -2.70 135.00 142.39 3h52 n PRO 582 Ca 0.14 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3h52 n PRO 582 Cb 0.44 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3h52 n PRO 582 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h52 n GLY 583 N 1.26 2.20 0.25 -1.23 0.00 -1.26 -4.72 105.19 101.68 3h52 n GLY 583 Ca 0.08 -0.40 0.03 0.00 0.00 0.00 0.00 46.02 45.73 3h52 n GLY 583 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3h52 h PHE 584 N 0.00 0.30 -0.41 1.61 3.57 -1.84 -0.34 116.94 119.83 3h52 h PHE 584 Ca 0.00 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.66 3h52 h PHE 584 Cb 0.00 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3h52 h PHE 584 CO 0.00 -0.02 0.30 0.07 -2.23 0.00 0.00 178.31 176.43 3h52 h ARG 585 N 0.31 0.00 0.00 1.11 0.11 -1.72 -2.00 114.38 112.19 3h52 h ARG 585 Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 3h52 h ARG 585 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 3h52 h ARG 585 CO -0.43 0.00 0.00 -0.91 0.10 0.00 0.00 179.97 178.73 3h52 h ASN 586 N 0.00 0.00 -4.25 0.08 -0.26 -1.37 -3.46 115.58 106.32 3h52 h ASN 586 Ca 0.20 0.00 -0.52 0.00 -0.56 0.00 0.00 56.30 55.42 3h52 h ASN 586 Cb 0.80 0.00 0.15 0.00 -1.06 0.00 0.00 38.32 38.21 3h52 h ASN 586 CO -0.00 0.00 0.31 -0.76 -1.06 0.00 0.00 177.43 175.92 3h52 s LEU 587 N -5.12 3.09 0.45 1.61 1.43 -0.75 -4.95 118.68 114.43 3h52 s LEU 587 Ca 0.07 2.09 -0.25 0.00 -1.03 0.00 0.00 54.13 55.01 3h52 s LEU 587 Cb 0.09 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.68 3h52 s LEU 587 CO 0.55 -2.38 1.40 -2.28 0.23 0.00 0.00 176.35 173.86 3h52 s HIS 588 N -2.53 2.52 0.13 0.29 5.65 -1.26 -4.74 115.29 115.35 3h52 s HIS 588 Ca 0.67 1.30 -0.32 0.00 0.25 0.00 0.00 55.06 56.96 3h52 s HIS 588 Cb -0.22 -3.86 -0.10 0.00 -1.18 0.00 0.00 32.58 27.22 3h52 s HIS 588 CO 0.52 -2.75 1.55 1.25 -0.65 0.00 0.00 174.74 174.66 3h52 h LEU 589 N 2.34 -1.79 -2.00 8.88 6.46 -1.92 0.38 115.31 127.65 3h52 h LEU 589 Ca -0.51 0.23 0.17 0.00 -0.12 0.00 0.00 57.88 57.66 3h52 h LEU 589 Cb 1.26 0.73 -0.02 0.00 -0.73 0.00 0.00 40.66 41.90 3h52 h LEU 589 CO 0.61 -0.42 0.44 0.44 -0.62 0.00 0.00 178.44 178.89 3h52 h ASP 590 N -0.42 0.00 -0.44 1.25 3.32 -1.99 0.27 116.42 118.42 3h52 h ASP 590 Ca 0.07 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.98 3h52 h ASP 590 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3h52 h ASP 590 CO -0.57 0.00 -0.29 0.44 -1.72 0.00 0.00 179.24 177.11 3h52 h ASP 591 N 0.00 1.01 -0.15 6.45 3.32 -0.67 -2.07 116.42 124.31 3h52 h ASP 591 Ca 0.28 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3h52 h ASP 591 Cb 1.15 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 3h52 h ASP 591 CO -0.00 1.22 0.07 1.56 -1.72 0.00 0.00 179.24 180.36 3h52 h GLN 592 N 0.82 0.22 -0.93 3.56 4.20 0.99 -2.38 115.11 121.59 3h52 h GLN 592 Ca 0.09 -0.04 0.14 0.00 0.06 0.00 0.00 58.65 58.90 3h52 h GLN 592 Cb 0.87 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.52 3h52 h GLN 592 CO 0.08 0.29 0.55 1.98 -0.67 0.00 0.00 178.83 181.05 3h52 h MET 593 N 0.11 0.79 -0.03 1.46 4.05 -0.97 -1.52 114.93 118.82 3h52 h MET 593 Ca 0.05 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3h52 h MET 593 Cb 0.14 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 3h52 h MET 593 CO -0.01 0.52 -0.02 1.15 0.23 0.00 0.00 176.91 178.79 3h52 h THR 594 N 0.81 1.35 -0.66 -0.77 2.02 -1.18 -1.11 112.91 113.38 3h52 h THR 594 Ca 0.49 -1.08 0.07 0.00 0.77 0.00 0.00 66.41 66.65 3h52 h THR 594 Cb 0.59 2.02 -0.04 0.00 -1.74 0.00 0.00 68.15 68.98 3h52 h THR 594 CO -0.31 0.29 0.44 -0.07 0.37 0.00 0.00 175.52 176.24 3h52 h LEU 595 N -0.37 0.56 -0.57 2.58 -0.00 -1.22 -0.84 115.31 115.45 3h52 h LEU 595 Ca 0.01 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.77 3h52 h LEU 595 Cb 0.48 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 3h52 h LEU 595 CO 0.01 0.36 -0.20 -0.07 -0.00 0.00 0.00 178.44 178.54 3h52 h LEU 596 N 0.64 0.96 -1.05 1.67 3.38 -1.18 -1.34 115.31 118.39 3h52 h LEU 596 Ca 0.29 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3h52 h LEU 596 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3h52 h LEU 596 CO -0.09 1.12 0.06 1.56 0.09 0.00 0.00 178.44 181.18 3h52 h GLN 597 N 0.82 0.74 0.05 1.13 4.20 0.04 -2.34 115.11 119.74 3h52 h GLN 597 Ca 0.11 -0.17 -0.23 0.00 0.06 0.00 0.00 58.65 58.43 3h52 h GLN 597 Cb 0.76 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 3h52 h GLN 597 CO 0.06 0.71 -1.03 1.88 -0.67 0.00 0.00 178.83 179.79 3h52 h TYR 598 N 0.71 0.35 0.00 2.96 0.05 -1.11 -3.40 116.97 116.52 3h52 h TYR 598 Ca 0.15 -0.22 -0.06 0.00 0.05 0.00 0.00 58.73 58.65 3h52 h TYR 598 Cb 0.35 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3h52 h TYR 598 CO 0.02 1.10 -1.97 -1.13 -1.05 0.00 0.00 178.16 175.13 3h52 n SER 599 N -3.57 0.49 -0.22 3.88 3.41 -0.51 -4.68 113.62 112.41 3h52 n SER 599 Ca -0.05 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.58 3h52 n SER 599 Cb 0.91 1.73 0.12 0.00 -0.26 0.00 0.00 64.21 66.70 3h52 n SER 599 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3h52 h TRP 600 N 0.00 -0.06 -0.63 7.33 5.08 -1.65 0.40 115.95 126.43 3h52 h TRP 600 Ca -0.09 0.05 0.03 0.00 1.08 0.00 0.00 58.89 59.95 3h52 h TRP 600 Cb 1.13 0.13 -0.04 0.00 -3.00 0.00 0.00 29.16 27.38 3h52 h TRP 600 CO 0.00 -0.19 0.39 1.98 -1.28 0.00 0.00 178.44 179.34 3h52 h MET 601 N 0.11 0.75 -0.65 0.12 4.05 -1.87 -1.02 114.93 116.41 3h52 h MET 601 Ca 0.35 -0.05 0.10 0.00 -0.28 0.00 0.00 59.70 59.82 3h52 h MET 601 Cb 0.58 -0.17 -0.07 0.00 -0.80 0.00 0.00 31.60 31.14 3h52 h MET 601 CO -0.58 0.50 0.27 1.03 0.23 0.00 0.00 176.91 178.36 3h52 h SER 602 N 0.77 0.31 -0.30 1.39 0.87 -0.60 -1.40 113.55 114.58 3h52 h SER 602 Ca 0.25 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.86 3h52 h SER 602 Cb 0.02 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 3h52 h SER 602 CO -0.10 0.17 0.08 -0.07 -0.53 0.00 0.00 176.83 176.38 3h52 h LEU 603 N 0.47 0.46 -0.46 2.23 3.38 0.26 -1.93 115.31 119.73 3h52 h LEU 603 Ca 0.33 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 3h52 h LEU 603 Cb 0.40 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3h52 h LEU 603 CO -0.30 0.56 0.01 0.24 0.09 0.00 0.00 178.44 179.04 3h52 h MET 604 N 0.33 0.80 -0.28 1.13 2.86 -1.04 -1.65 114.93 117.08 3h52 h MET 604 Ca 0.10 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3h52 h MET 604 Cb 0.28 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.85 3h52 h MET 604 CO -0.00 0.85 0.18 0.00 1.06 0.00 0.00 176.91 179.00 3h52 h ALA 605 N 0.92 0.36 -0.21 6.32 0.00 -1.20 0.13 119.26 125.58 3h52 h ALA 605 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3h52 h ALA 605 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3h52 h ALA 605 CO 0.02 -0.19 0.09 0.35 0.00 0.00 0.00 179.25 179.52 3h52 h PHE 606 N 0.36 0.32 -0.40 0.00 3.57 -1.32 1.04 116.94 120.52 3h52 h PHE 606 Ca 0.11 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.60 3h52 h PHE 606 Cb -0.02 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3h52 h PHE 606 CO -0.07 0.35 0.23 0.00 -2.23 0.00 0.00 178.31 176.60 3h52 h ALA 607 N 0.94 0.50 -0.45 2.41 0.00 -1.19 0.27 119.26 121.74 3h52 h ALA 607 Ca 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3h52 h ALA 607 Cb 0.16 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3h52 h ALA 607 CO -0.01 -0.10 0.27 1.25 0.00 0.00 0.00 179.25 180.66 3h52 h LEU 608 N 0.47 0.44 -0.19 0.00 5.85 -0.47 0.62 115.31 122.03 3h52 h LEU 608 Ca 0.16 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3h52 h LEU 608 Cb 0.01 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 3h52 h LEU 608 CO -0.08 0.32 -0.20 1.23 -0.34 0.00 0.00 178.44 179.37 3h52 h GLY 609 N 0.55 -0.12 1.01 3.75 0.00 0.18 -0.16 103.07 108.28 3h52 h GLY 609 Ca 0.18 0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.73 3h52 h GLY 609 CO -0.08 -0.18 -0.24 -0.25 0.00 0.00 0.00 176.54 175.80 3h52 h TRP 610 N -0.23 -0.61 -0.75 5.60 2.91 -0.03 -1.37 115.95 121.47 3h52 h TRP 610 Ca 0.12 -0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.26 3h52 h TRP 610 Cb 0.40 0.20 -0.09 0.00 -0.51 0.00 0.00 29.16 29.16 3h52 h TRP 610 CO -0.34 -0.38 0.32 0.00 -1.03 0.00 0.00 178.44 177.01 3h52 h ARG 611 N -0.66 0.47 0.00 2.65 3.08 -0.74 -0.78 114.38 118.39 3h52 h ARG 611 Ca -0.07 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 3h52 h ARG 611 Cb 0.51 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3h52 h ARG 611 CO 0.11 0.31 -0.32 0.77 -1.07 0.00 0.00 179.97 179.76 3h52 h SER 612 N 0.48 0.00 -0.00 7.04 0.02 -0.83 -2.49 113.55 117.77 3h52 h SER 612 Ca 0.40 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.10 3h52 h SER 612 Cb 0.58 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.14 3h52 h SER 612 CO -0.38 0.32 -0.99 0.22 -1.14 0.00 0.00 176.83 174.87 3h52 h TYR 613 N 0.00 1.02 0.00 3.45 3.20 -0.04 -3.22 116.97 121.38 3h52 h TYR 613 Ca -0.00 -0.54 0.00 0.00 3.14 0.00 0.00 58.73 61.33 3h52 h TYR 613 Cb 0.64 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3h52 h TYR 613 CO 0.00 1.37 0.00 0.54 -1.64 0.00 0.00 178.16 178.43 3h52 n ARG 614 N -3.86 0.20 0.11 1.82 5.12 -0.44 -3.25 116.66 116.36 3h52 n ARG 614 Ca -0.10 0.18 -0.24 0.00 -1.93 0.00 0.00 57.85 55.76 3h52 n ARG 614 Cb 0.86 -1.74 -0.15 0.00 -1.16 0.00 0.00 32.46 30.26 3h52 n ARG 614 CO 0.00 0.00 0.00 -0.56 -1.93 0.00 0.00 177.63 175.14 3h52 h GLN 615 N 0.00 0.47 0.00 5.56 -0.00 -1.45 -3.45 115.11 116.23 3h52 h GLN 615 Ca 0.00 -0.80 0.00 0.00 -0.00 0.00 0.00 58.65 57.85 3h52 h GLN 615 Cb 0.67 0.30 0.00 0.00 -0.00 0.00 0.00 27.48 28.44 3h52 h GLN 615 CO 0.00 1.38 0.00 0.45 -0.00 0.00 0.00 178.83 180.66 3h52 n SER 616 N -3.70 0.00 -0.46 0.06 2.88 -1.24 -4.98 113.62 106.18 3h52 n SER 616 Ca -0.20 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.28 3h52 n SER 616 Cb 1.08 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 64.51 3h52 n SER 616 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3h52 n SER 617 N -0.33 -5.32 -4.40 -3.46 7.64 -1.20 -4.96 113.62 101.59 3h52 n SER 617 Ca 0.00 0.15 -0.22 0.00 1.01 0.00 0.00 58.87 59.81 3h52 n SER 617 Cb 0.00 -3.35 0.00 0.00 -1.01 0.00 0.00 64.21 59.85 3h52 n SER 617 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3h52 n ALA 618 N 1.11 0.71 -3.27 -0.43 0.00 -1.26 -5.08 120.51 112.30 3h52 n ALA 618 Ca -0.06 -1.87 -0.41 0.00 0.00 0.00 0.00 53.44 51.10 3h52 n ALA 618 Cb 0.46 0.78 -0.01 0.00 0.00 0.00 0.00 19.45 20.68 3h52 n ALA 618 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h52 n ASN 619 N -1.85 5.51 -4.49 0.00 5.03 -1.26 -4.90 115.26 113.30 3h52 n ASN 619 Ca -0.02 -3.23 -0.24 0.00 0.87 0.00 0.00 54.58 51.96 3h52 n ASN 619 Cb 0.53 -1.23 -0.10 0.00 -1.02 0.00 0.00 39.78 37.96 3h52 n ASN 619 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3h52 s LEU 620 N -1.97 2.65 -0.17 3.41 1.43 -1.26 -3.70 118.68 119.06 3h52 s LEU 620 Ca 0.31 -1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 52.31 3h52 s LEU 620 Cb -0.02 -1.12 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 3h52 s LEU 620 CO -0.01 -0.00 0.05 -0.76 0.23 0.00 0.00 176.35 175.86 3h52 s LEU 621 N -3.54 3.76 -0.92 1.79 1.43 -1.05 -4.78 118.68 115.37 3h52 s LEU 621 Ca 0.31 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.47 3h52 s LEU 621 Cb -0.04 -1.94 0.23 0.00 0.03 0.00 0.00 46.19 44.47 3h52 s LEU 621 CO 0.16 0.21 0.82 0.00 0.23 0.00 0.00 176.35 177.76 3h52 h PHE 623 N 6.09 0.34 -3.83 0.00 -1.00 -1.88 -3.39 116.94 113.28 3h52 h PHE 623 Ca 0.16 -0.05 -0.09 0.00 2.81 0.00 0.00 57.97 60.79 3h52 h PHE 623 Cb 0.82 -0.09 -0.12 0.00 3.61 0.00 0.00 35.95 40.17 3h52 h PHE 623 CO 0.72 0.48 -0.26 0.00 -1.61 0.00 0.00 178.31 177.65 3h52 s ALA 624 N -5.12 -0.05 0.38 2.45 0.00 -1.17 -5.00 121.76 113.25 3h52 s ALA 624 Ca -0.14 -0.89 0.20 0.00 0.00 0.00 0.00 51.96 51.14 3h52 s ALA 624 Cb 0.07 0.96 1.11 0.00 0.00 0.00 0.00 23.12 25.25 3h52 s ALA 624 CO 0.72 -0.71 1.97 -1.35 0.00 0.00 0.00 175.76 176.39 3h52 h PRO 625 N 2.44 0.00 -0.66 0.00 0.11 -2.00 -0.68 132.00 131.22 3h52 h PRO 625 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3h52 h PRO 625 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3h52 h PRO 625 CO 0.44 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.05 3h52 n ASP 626 N -3.87 3.86 -3.28 -2.05 5.75 -1.26 -4.54 116.55 111.15 3h52 n ASP 626 Ca -0.02 -2.16 -0.23 0.00 -0.01 0.00 0.00 54.79 52.38 3h52 n ASP 626 Cb 0.30 -0.48 -0.08 0.00 -1.03 0.00 0.00 41.12 39.83 3h52 n ASP 626 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3h52 s LEU 627 N -1.27 0.81 -0.18 -2.12 0.20 -0.26 -5.12 118.68 110.74 3h52 s LEU 627 Ca 0.45 -2.72 -0.05 0.00 0.69 0.00 0.00 54.13 52.50 3h52 s LEU 627 Cb 0.26 0.02 -0.03 0.00 -0.43 0.00 0.00 46.19 46.01 3h52 s LEU 627 CO 0.27 -0.16 -0.00 -0.63 -0.29 0.00 0.00 176.35 175.54 3h52 s ILE 628 N 0.32 4.11 -0.21 6.68 1.01 -1.24 -2.99 121.20 128.88 3h52 s ILE 628 Ca 0.31 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.65 3h52 s ILE 628 Cb 0.01 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 3h52 s ILE 628 CO -0.15 0.46 -0.03 -0.63 0.00 0.00 0.00 174.94 174.59 3h52 s ILE 629 N 0.59 3.58 0.77 2.92 1.01 -0.78 -4.97 121.20 124.33 3h52 s ILE 629 Ca -0.01 -0.43 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 3h52 s ILE 629 Cb -0.14 -2.62 0.05 0.00 0.01 0.00 0.00 42.46 39.76 3h52 s ILE 629 CO 0.02 0.43 1.11 0.54 0.00 0.00 0.00 174.94 177.04 3h52 s ASN 630 N 1.22 4.82 0.43 3.58 2.20 -1.26 -2.54 114.94 123.38 3h52 s ASN 630 Ca 0.03 1.15 0.09 0.00 -0.94 0.00 0.00 52.86 53.19 3h52 s ASN 630 Cb -0.14 -1.87 0.92 0.00 -2.00 0.00 0.00 41.25 38.15 3h52 s ASN 630 CO -0.00 -1.75 2.06 1.05 -2.94 0.00 0.00 177.10 175.52 3h52 h GLU 631 N -0.94 0.42 -0.08 3.55 -0.00 -1.98 -2.35 114.58 113.21 3h52 h GLU 631 Ca -0.46 -0.03 -0.18 0.00 -0.00 0.00 0.00 59.36 58.69 3h52 h GLU 631 Cb 1.27 -0.09 0.01 0.00 -0.00 0.00 0.00 28.75 29.94 3h52 h GLU 631 CO 0.62 0.30 -0.64 -0.56 -0.00 0.00 0.00 179.01 178.73 3h52 h GLN 632 N 0.43 0.58 -0.74 1.06 -0.00 -1.91 -3.10 115.11 111.42 3h52 h GLN 632 Ca 0.11 -0.51 0.00 0.00 -0.00 0.00 0.00 58.65 58.25 3h52 h GLN 632 Cb -0.00 0.12 -0.04 0.00 -0.00 0.00 0.00 27.48 27.56 3h52 h GLN 632 CO -0.02 1.14 0.48 -0.09 -0.00 0.00 0.00 178.83 180.34 3h52 h ARG 633 N 0.20 0.98 0.00 0.06 1.12 -1.80 -1.53 114.38 113.41 3h52 h ARG 633 Ca -0.06 -0.06 0.00 0.00 -1.11 0.00 0.00 59.98 58.75 3h52 h ARG 633 Cb 1.30 -0.22 0.00 0.00 -0.01 0.00 0.00 29.97 31.04 3h52 h ARG 633 CO 0.13 0.66 0.00 -1.33 -3.11 0.00 0.00 179.97 176.32 3h52 n MET 634 N -4.41 0.06 0.19 0.20 2.81 -0.97 -2.40 117.12 112.61 3h52 n MET 634 Ca 0.08 0.19 0.12 0.00 -1.81 0.00 0.00 57.70 56.28 3h52 n MET 634 Cb 0.04 -1.59 0.21 0.00 -0.71 0.00 0.00 33.22 31.17 3h52 n MET 634 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3h52 h THR 635 N 0.00 0.00 -4.00 2.03 2.02 -1.20 -2.60 112.91 109.16 3h52 h THR 635 Ca 0.00 -0.89 -0.54 0.00 0.77 0.00 0.00 66.41 65.75 3h52 h THR 635 Cb 0.41 1.88 0.11 0.00 -1.74 0.00 0.00 68.15 68.81 3h52 h THR 635 CO 0.00 0.00 0.62 -0.76 0.37 0.00 0.00 175.52 175.75 3h52 s LEU 636 N -5.85 4.04 0.61 2.58 1.02 -1.01 -4.56 118.68 115.52 3h52 s LEU 636 Ca 0.08 2.72 0.29 0.00 0.02 0.00 0.00 54.13 57.23 3h52 s LEU 636 Cb 0.07 -4.08 1.50 0.00 0.02 0.00 0.00 46.19 43.70 3h52 s LEU 636 CO 0.66 -1.18 1.90 -0.65 0.02 0.00 0.00 176.35 177.09 3h52 h PRO 637 N 2.10 0.00 -0.08 1.29 0.11 -1.90 0.56 132.00 134.09 3h52 h PRO 637 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h52 h PRO 637 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3h52 h PRO 637 CO 0.60 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.99 3h52 n ASP 638 N -3.52 0.67 0.00 -2.05 5.75 -1.26 -4.33 116.55 111.81 3h52 n ASP 638 Ca 0.06 -1.63 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 3h52 n ASP 638 Cb 0.59 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3h52 n ASP 638 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3h52 n MET 639 N -0.30 0.22 -0.34 0.11 2.81 0.14 -4.94 117.12 114.81 3h52 n MET 639 Ca 0.13 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.92 3h52 n MET 639 Cb 0.16 -0.65 -0.09 0.00 -0.71 0.00 0.00 33.22 31.94 3h52 n MET 639 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 3h52 h TYR 640 N 0.00 -1.61 0.00 2.03 3.20 -1.01 0.42 116.97 120.00 3h52 h TYR 640 Ca 0.00 0.11 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3h52 h TYR 640 Cb 0.29 0.81 -0.00 0.00 1.54 0.00 0.00 36.73 39.37 3h52 h TYR 640 CO 0.00 -0.32 -0.09 -0.44 -1.64 0.00 0.00 178.16 175.66 3h52 h ASP 641 N -0.03 0.00 0.03 -2.11 3.32 -1.88 0.75 116.42 116.51 3h52 h ASP 641 Ca 0.13 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3h52 h ASP 641 Cb 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3h52 h ASP 641 CO -0.78 0.09 -0.02 1.56 -1.72 0.00 0.00 179.24 178.38 3h52 h GLN 642 N 0.00 -0.04 0.00 3.56 4.20 -1.66 -3.37 115.11 117.79 3h52 h GLN 642 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h52 h GLN 642 Cb 0.18 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3h52 h GLN 642 CO 0.01 0.44 0.00 0.00 -0.67 0.00 0.00 178.83 178.62 3h52 h LYS 644 N 0.00 -0.08 0.00 0.00 3.64 0.34 0.12 116.57 120.59 3h52 h LYS 644 Ca 0.00 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 3h52 h LYS 644 Cb 0.76 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 3h52 h LYS 644 CO 0.00 -0.05 -0.47 0.45 -2.27 0.00 0.00 179.45 177.11 3h52 h HIS 645 N -0.08 0.00 0.16 1.91 3.86 -1.69 -2.47 115.15 116.83 3h52 h HIS 645 Ca 0.29 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.29 3h52 h HIS 645 Cb 0.56 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.05 3h52 h HIS 645 CO -0.66 0.47 -0.95 0.52 0.86 0.00 0.00 177.93 178.17 3h52 h MET 646 N 0.00 0.34 -0.84 2.45 2.86 -1.45 -3.19 114.93 115.09 3h52 h MET 646 Ca -0.00 -0.58 0.11 0.00 -2.06 0.00 0.00 59.70 57.17 3h52 h MET 646 Cb 1.14 0.22 -0.08 0.00 0.06 0.00 0.00 31.60 32.93 3h52 h MET 646 CO 0.06 1.28 0.47 -0.07 1.06 0.00 0.00 176.91 179.71 3h52 h LEU 647 N -0.28 0.65 -0.76 1.22 3.38 -0.76 -2.34 115.31 116.41 3h52 h LEU 647 Ca -0.17 0.06 0.09 0.00 0.09 0.00 0.00 57.88 57.96 3h52 h LEU 647 Cb 1.74 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 42.31 3h52 h LEU 647 CO 0.17 0.34 -0.50 0.22 0.09 0.00 0.00 178.44 178.77 3h52 h TYR 648 N 0.75 -1.52 -0.71 1.13 5.03 -1.43 0.66 116.97 120.88 3h52 h TYR 648 Ca 0.42 0.10 -0.04 0.00 2.58 0.00 0.00 58.73 61.79 3h52 h TYR 648 Cb 0.45 0.77 -0.03 0.00 1.55 0.00 0.00 36.73 39.47 3h52 h TYR 648 CO -0.07 -0.41 0.29 -0.24 -1.32 0.00 0.00 178.16 176.41 3h52 h VAL 649 N -0.14 1.25 0.64 1.81 3.04 -1.47 0.24 116.25 121.62 3h52 h VAL 649 Ca 0.18 -0.77 -0.03 0.00 -1.01 0.00 0.00 66.70 65.08 3h52 h VAL 649 Cb 0.53 0.42 -0.01 0.00 -2.01 0.00 0.00 31.29 30.22 3h52 h VAL 649 CO -0.81 0.31 -0.45 -1.28 -1.01 0.00 0.00 177.57 174.33 3h52 h SER 650 N 1.01 -1.16 -0.91 3.17 0.87 -0.71 -1.55 113.55 114.28 3h52 h SER 650 Ca 0.24 0.07 0.25 0.00 -1.23 0.00 0.00 61.79 61.12 3h52 h SER 650 Cb 0.21 0.35 -0.14 0.00 -0.44 0.00 0.00 62.40 62.37 3h52 h SER 650 CO -0.02 -0.66 0.34 0.28 -0.53 0.00 0.00 176.83 176.24 3h52 h SER 651 N -1.04 0.16 -0.41 6.23 0.02 0.70 -1.13 113.55 118.08 3h52 h SER 651 Ca -0.09 0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 3h52 h SER 651 Cb 0.85 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.59 3h52 h SER 651 CO 0.05 -0.13 -0.04 -0.08 -1.14 0.00 0.00 176.83 175.49 3h52 h GLU 652 N 0.26 0.76 -0.03 3.45 4.57 -0.22 0.10 114.58 123.47 3h52 h GLU 652 Ca 0.60 -0.26 -0.05 0.00 -1.18 0.00 0.00 59.36 58.46 3h52 h GLU 652 Cb 1.24 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.77 3h52 h GLU 652 CO -0.63 0.86 -0.23 -0.07 -1.18 0.00 0.00 179.01 177.76 3h52 h LEU 653 N 0.58 0.05 -0.02 1.64 3.38 -0.19 -2.48 115.31 118.27 3h52 h LEU 653 Ca 0.11 -0.01 -0.26 0.00 0.09 0.00 0.00 57.88 57.81 3h52 h LEU 653 Cb 0.54 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.29 3h52 h LEU 653 CO 0.03 0.28 -1.10 -0.74 0.09 0.00 0.00 178.44 177.00 3h52 h HIS 654 N 0.05 0.72 -0.78 1.13 2.76 -0.93 -1.84 115.15 116.25 3h52 h HIS 654 Ca 0.01 -0.44 -0.02 0.00 -2.20 0.00 0.00 60.37 57.72 3h52 h HIS 654 Cb 0.43 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.29 3h52 h HIS 654 CO 0.00 1.28 0.40 -0.09 -1.30 0.00 0.00 177.93 178.22 3h52 h ARG 655 N 0.22 1.12 -0.00 5.26 2.43 -0.68 -2.84 114.38 119.88 3h52 h ARG 655 Ca -0.12 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3h52 h ARG 655 Cb 1.77 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.11 3h52 h ARG 655 CO 0.20 0.85 -0.47 1.28 -1.51 0.00 0.00 179.97 180.32 3h52 n LEU 656 N -4.39 0.68 -3.77 3.80 4.77 -0.96 -4.99 117.00 112.15 3h52 n LEU 656 Ca 0.07 -0.11 -0.31 0.00 -0.03 0.00 0.00 56.01 55.64 3h52 n LEU 656 Cb 0.12 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 3h52 n LEU 656 CO 0.39 0.15 -0.12 0.00 -1.33 0.00 0.00 177.39 176.49 3h52 n GLN 657 N -1.26 -1.77 -2.12 3.23 1.13 -0.72 -4.88 117.38 111.00 3h52 n GLN 657 Ca 0.07 0.42 -0.41 0.00 -1.94 0.00 0.00 57.00 55.14 3h52 n GLN 657 Cb 0.34 -4.15 -0.03 0.00 0.11 0.00 0.00 30.24 26.51 3h52 n GLN 657 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3h52 s VAL 658 N -3.59 3.00 0.61 5.09 1.01 -1.06 -5.01 120.40 120.45 3h52 s VAL 658 Ca 0.35 0.80 -0.11 0.00 0.00 0.00 0.00 61.98 63.02 3h52 s VAL 658 Cb -0.13 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 3h52 s VAL 658 CO 0.87 0.11 1.03 -0.94 0.00 0.00 0.00 175.10 176.17 3h52 s SER 659 N 0.50 6.25 0.16 3.32 1.04 -1.26 -4.88 113.70 118.83 3h52 s SER 659 Ca 0.59 1.43 -0.15 0.00 0.48 0.00 0.00 55.95 58.30 3h52 s SER 659 Cb -0.39 -2.47 0.04 0.00 0.10 0.00 0.00 66.02 63.30 3h52 s SER 659 CO 0.38 -0.86 1.81 0.22 0.98 0.00 0.00 173.24 175.78 3h52 h TYR 660 N -0.25 0.59 -0.43 5.02 3.20 -1.99 -0.16 116.97 122.96 3h52 h TYR 660 Ca -0.44 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.38 3h52 h TYR 660 Cb 1.19 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 3h52 h TYR 660 CO 0.66 0.38 0.01 0.93 -1.64 0.00 0.00 178.16 178.51 3h52 h GLU 661 N 0.62 0.68 0.40 1.82 5.08 -1.95 0.54 114.58 121.78 3h52 h GLU 661 Ca 0.17 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3h52 h GLU 661 Cb -0.05 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.11 3h52 h GLU 661 CO -0.03 0.69 -0.20 0.93 -1.00 0.00 0.00 179.01 179.40 3h52 h GLU 662 N 0.65 -0.52 -1.00 2.33 5.08 -1.73 -2.89 114.58 116.49 3h52 h GLU 662 Ca 0.13 0.04 0.38 0.00 -1.00 0.00 0.00 59.36 58.91 3h52 h GLU 662 Cb 0.39 0.12 -0.18 0.00 0.50 0.00 0.00 28.75 29.58 3h52 h GLU 662 CO 0.01 -0.35 0.43 -0.92 -1.00 0.00 0.00 179.01 177.18 3h52 h TYR 663 N -0.54 0.64 -0.56 4.33 3.20 -0.62 0.29 116.97 123.71 3h52 h TYR 663 Ca -0.06 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 3h52 h TYR 663 Cb 0.42 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 3h52 h TYR 663 CO 0.13 -0.44 0.05 -0.07 -1.64 0.00 0.00 178.16 176.19 3h52 h LEU 664 N 0.03 0.93 -0.61 2.82 3.38 -0.87 0.17 115.31 121.17 3h52 h LEU 664 Ca 0.78 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 58.35 3h52 h LEU 664 Cb 1.97 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 3h52 h LEU 664 CO -0.79 0.99 -0.18 0.00 0.09 0.00 0.00 178.44 178.55 3h52 h MET 666 N 0.81 0.10 -0.73 0.00 2.86 -0.56 -0.68 114.93 116.72 3h52 h MET 666 Ca 0.12 -0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.85 3h52 h MET 666 Cb 0.72 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.29 3h52 h MET 666 CO 0.06 0.27 0.34 -0.22 1.06 0.00 0.00 176.91 178.42 3h52 h LYS 667 N -0.09 0.53 -0.37 1.72 3.64 -0.68 -1.16 116.57 120.16 3h52 h LYS 667 Ca 0.02 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3h52 h LYS 667 Cb 0.21 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3h52 h LYS 667 CO -0.00 0.35 0.16 1.15 -2.27 0.00 0.00 179.45 178.85 3h52 h THR 668 N 0.55 1.18 0.00 1.00 2.02 -1.14 -2.40 112.91 114.11 3h52 h THR 668 Ca 0.38 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 3h52 h THR 668 Cb 0.48 0.85 -0.00 0.00 -1.74 0.00 0.00 68.15 67.73 3h52 h THR 668 CO -0.32 0.20 -0.12 -0.07 0.37 0.00 0.00 175.52 175.58 3h52 h LEU 669 N 0.46 0.00 -1.01 2.58 3.38 -0.29 -1.85 115.31 118.58 3h52 h LEU 669 Ca 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3h52 h LEU 669 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 3h52 h LEU 669 CO -0.01 0.12 -0.45 -0.07 0.09 0.00 0.00 178.44 178.12 3h52 h LEU 670 N 0.00 0.00 -1.86 1.67 4.07 -0.73 -1.50 115.31 116.97 3h52 h LEU 670 Ca -0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 3h52 h LEU 670 Cb 0.31 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 3h52 h LEU 670 CO 0.02 0.45 -0.12 0.25 -1.08 0.00 0.00 178.44 177.96 3h52 h LEU 671 N 0.00 0.00 -4.30 1.67 5.85 -1.17 -3.11 115.31 114.26 3h52 h LEU 671 Ca -0.00 0.00 -0.62 0.00 0.84 0.00 0.00 57.88 58.10 3h52 h LEU 671 Cb 0.88 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 41.52 3h52 h LEU 671 CO 0.06 0.12 -0.28 0.18 -0.34 0.00 0.00 178.44 178.17 3h52 n LEU 672 N -4.19 5.58 -0.10 2.25 4.77 -0.58 -4.68 117.00 120.04 3h52 n LEU 672 Ca -0.03 -4.90 0.06 0.00 -0.03 0.00 0.00 56.01 51.11 3h52 n LEU 672 Cb 0.19 -0.58 -0.05 0.00 -2.33 0.00 0.00 43.42 40.66 3h52 n LEU 672 CO 0.34 2.03 0.06 -1.54 -1.33 0.00 0.00 177.39 176.95 3h52 n SER 673 N -0.61 0.87 -3.69 -1.43 3.41 -1.08 -4.95 113.62 106.15 3h52 n SER 673 Ca 0.46 -0.94 -0.10 0.00 -0.26 0.00 0.00 58.87 58.03 3h52 n SER 673 Cb 0.69 0.81 -0.11 0.00 -0.26 0.00 0.00 64.21 65.34 3h52 n SER 673 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3h52 s SER 674 N -1.97 -0.42 0.17 4.04 0.01 -1.26 -1.42 113.70 112.86 3h52 s SER 674 Ca 0.07 0.86 0.05 0.00 1.31 0.00 0.00 55.95 58.24 3h52 s SER 674 Cb 0.10 0.82 -0.05 0.00 0.21 0.00 0.00 66.02 67.10 3h52 s SER 674 CO 0.44 -0.20 -0.10 0.68 0.41 0.00 0.00 173.24 174.47 3h52 s VAL 675 N 1.61 1.28 0.45 3.43 -7.23 -0.62 -4.82 120.40 114.52 3h52 s VAL 675 Ca -0.08 -2.09 -0.24 0.00 -1.81 0.00 0.00 61.98 57.75 3h52 s VAL 675 Cb -0.09 -1.96 -0.08 0.00 0.56 0.00 0.00 36.38 34.81 3h52 s VAL 675 CO -0.12 -0.66 1.31 -2.84 -0.31 0.00 0.00 175.10 172.48 3h52 s PRO 676 N -3.74 3.71 0.19 4.82 0.02 -1.26 -0.07 135.00 138.67 3h52 s PRO 676 Ca 0.20 2.16 -0.14 0.00 0.02 0.00 0.00 61.00 63.23 3h52 s PRO 676 Cb 0.02 -2.58 0.19 0.00 0.02 0.00 0.00 34.50 32.15 3h52 s PRO 676 CO 0.03 -0.70 1.67 -0.22 -0.33 0.00 0.00 177.00 177.45 3h52 h LYS 677 N 2.26 0.08 0.04 5.54 3.64 -1.81 -3.02 116.57 123.30 3h52 h LYS 677 Ca -0.50 -0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 58.65 3h52 h LYS 677 Cb 1.26 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.06 3h52 h LYS 677 CO 0.61 0.05 -1.02 0.38 -2.27 0.00 0.00 179.45 177.19 3h52 h ASP 678 N 0.08 0.31 -2.65 4.20 2.03 -1.93 -3.48 116.42 114.99 3h52 h ASP 678 Ca 0.26 -0.29 0.00 0.00 -0.73 0.00 0.00 57.03 56.26 3h52 h ASP 678 Cb 0.39 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 3h52 h ASP 678 CO -0.46 1.15 0.00 0.61 -1.03 0.00 0.00 179.24 179.52 3h52 n GLY 679 N 1.17 -0.19 3.27 7.15 0.00 -1.14 -5.12 105.19 110.31 3h52 n GLY 679 Ca -0.05 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 3h52 n GLY 679 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h52 s LEU 680 N 0.00 2.18 0.34 0.99 1.43 -1.26 -4.48 118.68 117.88 3h52 s LEU 680 Ca 0.00 -0.55 0.13 0.00 -1.03 0.00 0.00 54.13 52.69 3h52 s LEU 680 Cb 0.00 -1.00 1.09 0.00 0.03 0.00 0.00 46.19 46.30 3h52 s LEU 680 CO 0.00 0.16 1.62 0.11 0.23 0.00 0.00 176.35 178.47 3h52 h LYS 681 N 4.77 0.15 -2.10 1.70 1.79 -1.97 -2.38 116.57 118.53 3h52 h LYS 681 Ca -0.43 -0.01 -0.56 0.00 -2.18 0.00 0.00 60.65 57.47 3h52 h LYS 681 Cb 1.16 -0.03 -0.41 0.00 -1.58 0.00 0.00 32.23 31.37 3h52 h LYS 681 CO 0.43 0.10 -0.91 -1.13 -1.08 0.00 0.00 179.45 176.86 3h52 n SER 682 N -5.20 2.03 -0.15 0.86 3.41 -1.26 -4.91 113.62 108.40 3h52 n SER 682 Ca 0.31 -3.14 -0.08 0.00 -0.26 0.00 0.00 58.87 55.70 3h52 n SER 682 Cb 1.02 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 3h52 n SER 682 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3h52 h GLN 683 N 3.63 0.61 -0.48 4.33 1.08 -1.83 -1.93 115.11 120.52 3h52 h GLN 683 Ca 0.12 -0.08 0.05 0.00 -1.45 0.00 0.00 58.65 57.29 3h52 h GLN 683 Cb 0.78 -0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 28.01 3h52 h GLN 683 CO 0.63 0.50 -0.50 0.00 -0.95 0.00 0.00 178.83 178.52 3h52 h ALA 684 N 1.07 -0.67 -0.48 3.87 0.00 -1.91 0.17 119.26 121.31 3h52 h ALA 684 Ca 0.15 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3h52 h ALA 684 Cb 0.08 1.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 3h52 h ALA 684 CO -0.02 -0.94 0.09 1.25 0.00 0.00 0.00 179.25 179.63 3h52 h LEU 685 N -0.27 0.70 -0.10 0.00 7.12 -1.95 -2.35 115.31 118.46 3h52 h LEU 685 Ca 0.08 -0.13 0.02 0.00 0.13 0.00 0.00 57.88 57.98 3h52 h LEU 685 Cb 0.49 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 3h52 h LEU 685 CO -0.59 0.71 0.00 0.15 -0.13 0.00 0.00 178.44 178.58 3h52 h PHE 686 N 0.72 0.00 -0.96 1.25 3.57 -0.58 -2.31 116.94 118.63 3h52 h PHE 686 Ca 0.16 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.77 3h52 h PHE 686 Cb 0.31 0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.99 3h52 h PHE 686 CO 0.02 -0.01 0.61 -0.44 -2.23 0.00 0.00 178.31 176.26 3h52 h ASP 687 N 0.04 0.89 -0.38 0.41 3.32 -0.13 0.41 116.42 120.98 3h52 h ASP 687 Ca 0.05 0.03 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 3h52 h ASP 687 Cb 0.05 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3h52 h ASP 687 CO -0.08 0.50 -0.26 0.00 -1.72 0.00 0.00 179.24 177.69 3h52 h ALA 688 N 1.53 0.54 -0.15 3.45 0.00 -1.45 -1.77 119.26 121.41 3h52 h ALA 688 Ca 0.46 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3h52 h ALA 688 Cb 0.43 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3h52 h ALA 688 CO -0.22 0.54 -0.13 0.82 0.00 0.00 0.00 179.25 180.26 3h52 h ILE 689 N 0.64 0.64 -0.40 0.00 2.04 -0.47 0.17 117.51 120.12 3h52 h ILE 689 Ca 0.07 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3h52 h ILE 689 Cb 0.83 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3h52 h ILE 689 CO 0.07 0.00 0.20 -0.09 0.00 0.00 0.00 178.15 178.33 3h52 h ARG 690 N -0.14 0.58 -0.55 2.37 2.43 -1.00 -2.25 114.38 115.81 3h52 h ARG 690 Ca 0.10 -0.08 0.07 0.00 -0.81 0.00 0.00 59.98 59.25 3h52 h ARG 690 Cb 0.29 -0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 29.67 3h52 h ARG 690 CO -0.24 0.50 0.23 1.98 -1.51 0.00 0.00 179.97 180.93 3h52 h MET 691 N 0.51 0.42 -0.19 0.20 4.05 -1.07 0.96 114.93 119.82 3h52 h MET 691 Ca 0.14 -0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.59 3h52 h MET 691 Cb 0.11 -0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 30.75 3h52 h MET 691 CO -0.02 0.28 -0.18 1.15 0.23 0.00 0.00 176.91 178.37 3h52 h THR 692 N 0.44 0.51 -0.03 -0.77 2.02 -0.13 -1.23 112.91 113.73 3h52 h THR 692 Ca 0.26 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.31 3h52 h THR 692 Cb 0.25 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3h52 h THR 692 CO -0.23 0.00 -0.59 1.88 0.37 0.00 0.00 175.52 176.94 3h52 h TYR 693 N -0.20 0.11 -0.05 3.16 0.05 -1.03 0.28 116.97 119.29 3h52 h TYR 693 Ca 0.12 -0.04 0.04 0.00 0.05 0.00 0.00 58.73 58.89 3h52 h TYR 693 Cb 0.38 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.05 3h52 h TYR 693 CO -0.32 0.66 -0.26 0.82 -1.05 0.00 0.00 178.16 178.01 3h52 h ILE 694 N 0.07 0.41 -0.61 -2.88 2.04 -0.50 0.13 117.51 116.16 3h52 h ILE 694 Ca -0.01 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3h52 h ILE 694 Cb 1.07 0.41 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 3h52 h ILE 694 CO 0.08 0.00 0.29 0.11 0.00 0.00 0.00 178.15 178.63 3h52 h LYS 695 N -0.37 0.51 -0.21 2.37 1.57 -0.60 -1.71 116.57 118.14 3h52 h LYS 695 Ca 0.08 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3h52 h LYS 695 Cb 0.48 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 3h52 h LYS 695 CO -0.26 0.34 0.10 1.49 -0.57 0.00 0.00 179.45 180.55 3h52 h GLU 696 N 0.52 0.28 -0.30 3.15 4.57 0.31 0.49 114.58 123.60 3h52 h GLU 696 Ca 0.29 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.31 3h52 h GLU 696 Cb 0.28 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3h52 h GLU 696 CO -0.24 0.22 -0.36 1.25 -1.18 0.00 0.00 179.01 178.70 3h52 h LEU 697 N 0.29 0.71 -0.97 1.64 5.85 -0.21 -2.46 115.31 120.15 3h52 h LEU 697 Ca 0.07 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3h52 h LEU 697 Cb 0.03 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 40.81 3h52 h LEU 697 CO -0.01 1.01 0.64 1.23 -0.34 0.00 0.00 178.44 180.97 3h52 h GLY 698 N 0.98 1.37 0.97 3.75 0.00 0.72 -1.57 103.07 109.29 3h52 h GLY 698 Ca 0.06 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 3h52 h GLY 698 CO 0.08 0.50 -0.01 0.50 0.00 0.00 0.00 176.54 177.61 3h52 h LYS 699 N 1.32 0.77 0.00 4.80 1.57 -0.79 -2.09 116.57 122.15 3h52 h LYS 699 Ca 0.36 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 3h52 h LYS 699 Cb -0.15 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 3h52 h LYS 699 CO -0.08 0.84 -0.17 0.00 -0.57 0.00 0.00 179.45 179.48 3h52 h ALA 700 N 0.90 1.51 0.00 3.86 0.00 -0.97 0.15 119.26 124.70 3h52 h ALA 700 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3h52 h ALA 700 Cb 0.50 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3h52 h ALA 700 CO 0.02 0.21 -0.26 0.82 0.00 0.00 0.00 179.25 180.04 3h52 h ILE 701 N 0.00 1.33 0.00 0.00 2.04 -1.26 -3.32 117.51 116.30 3h52 h ILE 701 Ca -0.00 -2.10 -0.02 0.00 1.00 0.00 0.00 64.86 63.74 3h52 h ILE 701 Cb 0.34 2.62 -0.00 0.00 -0.74 0.00 0.00 36.82 39.03 3h52 h ILE 701 CO 0.02 0.45 -0.11 0.58 0.00 0.00 0.00 178.15 179.09 3h52 h VAL 702 N -1.00 0.92 -0.33 1.67 2.07 -1.31 -2.85 116.25 115.41 3h52 h VAL 702 Ca -0.07 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 3h52 h VAL 702 Cb 0.91 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3h52 h VAL 702 CO -0.04 0.11 -0.09 0.50 0.02 0.00 0.00 177.57 178.07 3h52 h LYS 703 N 0.00 0.55 0.00 1.57 3.64 -0.82 -3.37 116.57 118.13 3h52 h LYS 703 Ca -0.00 -0.15 -0.35 0.00 -1.27 0.00 0.00 60.65 58.88 3h52 h LYS 703 Cb 0.22 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.93 3h52 h LYS 703 CO 0.01 0.64 -1.96 -2.13 -2.27 0.00 0.00 179.45 173.75 3h52 n ARG 704 N -4.21 0.57 -0.81 1.90 0.63 -1.09 -5.05 116.66 108.61 3h52 n ARG 704 Ca 0.01 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.33 3h52 n ARG 704 Cb 0.31 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.63 3h52 n ARG 704 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3h52 n GLU 705 N -4.34 0.82 0.00 -0.14 1.02 -1.16 -5.12 120.64 111.72 3h52 n GLU 705 Ca -0.44 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.70 3h52 n GLU 705 Cb 0.78 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.20 3h52 n GLU 705 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h52 n GLY 706 N 5.00 -1.88 4.00 0.62 0.00 -1.26 -4.92 105.19 106.75 3h52 n GLY 706 Ca 0.00 -1.04 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 3h52 n GLY 706 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h52 s ASN 707 N -1.61 4.35 0.86 1.61 2.20 -1.26 -4.78 114.94 116.30 3h52 s ASN 707 Ca 0.00 -0.41 -0.12 0.00 -0.94 0.00 0.00 52.86 51.39 3h52 s ASN 707 Cb 0.00 0.05 0.11 0.00 -2.00 0.00 0.00 41.25 39.41 3h52 s ASN 707 CO 0.00 -1.87 1.18 -0.44 -2.94 0.00 0.00 177.10 173.03 3h52 s SER 708 N -4.75 3.24 0.00 3.54 0.01 -1.26 -2.44 113.70 112.05 3h52 s SER 708 Ca 0.66 2.28 0.00 0.00 1.31 0.00 0.00 55.95 60.21 3h52 s SER 708 Cb -0.05 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3h52 s SER 708 CO 0.44 -2.90 0.00 -1.54 0.41 0.00 0.00 173.24 169.66 3h52 n SER 709 N -3.77 0.00 -0.08 2.44 3.41 -1.26 -4.54 113.62 109.82 3h52 n SER 709 Ca 0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.61 3h52 n SER 709 Cb 0.51 -0.37 -0.14 0.00 -0.26 0.00 0.00 64.21 63.95 3h52 n SER 709 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h52 n GLN 710 N -1.77 0.68 -0.15 4.33 1.13 -1.05 -4.09 117.38 116.45 3h52 n GLN 710 Ca 0.00 0.13 -0.12 0.00 -1.94 0.00 0.00 57.00 55.07 3h52 n GLN 710 Cb 0.00 -1.61 -0.00 0.00 0.11 0.00 0.00 30.24 28.74 3h52 n GLN 710 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 3h52 h ASN 711 N 0.01 1.03 0.19 1.08 -0.26 -1.72 -3.04 115.58 112.87 3h52 h ASN 711 Ca -0.48 -0.40 -0.12 0.00 -0.56 0.00 0.00 56.30 54.73 3h52 h ASN 711 Cb 2.09 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 39.05 3h52 h ASN 711 CO 0.02 1.21 -0.45 0.77 -1.06 0.00 0.00 177.43 177.92 3h52 h SER 712 N 0.85 0.34 -0.36 5.81 4.64 -1.88 -1.72 113.55 121.23 3h52 h SER 712 Ca 0.10 -0.15 0.08 0.00 -0.47 0.00 0.00 61.79 61.35 3h52 h SER 712 Cb 0.83 -0.09 -0.08 0.00 -0.31 0.00 0.00 62.40 62.74 3h52 h SER 712 CO 0.07 0.74 -0.21 -0.61 -0.87 0.00 0.00 176.83 175.96 3h52 h GLN 713 N 0.26 -0.15 -0.21 4.77 5.75 -1.70 -1.13 115.11 122.71 3h52 h GLN 713 Ca 0.02 0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.44 3h52 h GLN 713 Cb 0.90 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.47 3h52 h GLN 713 CO 0.07 -0.10 -0.26 -0.09 -2.65 0.00 0.00 178.83 175.81 3h52 h ARG 714 N -0.16 0.39 -0.26 1.69 2.43 -1.37 -2.44 114.38 114.67 3h52 h ARG 714 Ca 0.18 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3h52 h ARG 714 Cb 0.43 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3h52 h ARG 714 CO -0.45 0.63 -0.07 0.35 -1.51 0.00 0.00 179.97 178.91 3h52 h PHE 715 N 0.35 0.56 -0.82 2.20 3.57 -0.90 -0.62 116.94 121.28 3h52 h PHE 715 Ca 0.05 -0.12 0.09 0.00 3.53 0.00 0.00 57.97 61.52 3h52 h PHE 715 Cb 0.64 -0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 3h52 h PHE 715 CO 0.02 0.72 0.53 -0.92 -2.23 0.00 0.00 178.31 176.43 3h52 h TYR 716 N 0.24 0.84 0.24 0.41 3.20 -1.06 -1.07 116.97 119.78 3h52 h TYR 716 Ca 0.06 0.02 -0.33 0.00 3.14 0.00 0.00 58.73 61.62 3h52 h TYR 716 Cb 0.55 -0.27 0.03 0.00 1.54 0.00 0.00 36.73 38.58 3h52 h TYR 716 CO 0.05 0.40 -1.50 1.96 -1.64 0.00 0.00 178.16 177.43 3h52 h GLN 717 N 0.79 0.50 -0.57 1.82 4.20 -1.24 -1.31 115.11 119.30 3h52 h GLN 717 Ca 0.38 -0.85 -0.06 0.00 0.06 0.00 0.00 58.65 58.17 3h52 h GLN 717 Cb 0.41 0.32 -0.03 0.00 0.30 0.00 0.00 27.48 28.48 3h52 h GLN 717 CO -0.15 1.41 0.11 -0.07 -0.67 0.00 0.00 178.83 179.46 3h52 h LEU 718 N 0.10 0.86 -0.46 1.46 3.38 -0.99 -1.95 115.31 117.72 3h52 h LEU 718 Ca -0.27 -0.18 -0.17 0.00 0.09 0.00 0.00 57.88 57.35 3h52 h LEU 718 Cb 2.12 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 3h52 h LEU 718 CO 0.25 0.86 -0.71 0.71 0.09 0.00 0.00 178.44 179.63 3h52 h THR 719 N 0.86 1.40 -0.78 0.22 1.35 -1.25 -1.67 112.91 113.04 3h52 h THR 719 Ca 0.18 -2.16 0.01 0.00 -0.55 0.00 0.00 66.41 63.89 3h52 h THR 719 Cb 0.36 2.13 -0.04 0.00 -1.73 0.00 0.00 68.15 68.87 3h52 h THR 719 CO 0.01 0.64 0.51 0.11 -0.25 0.00 0.00 175.52 176.54 3h52 h LYS 720 N 0.22 1.03 0.03 4.72 6.56 -0.95 0.18 116.57 128.37 3h52 h LYS 720 Ca -0.03 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.50 3h52 h LYS 720 Cb 1.28 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 32.71 3h52 h LYS 720 CO 0.12 0.69 -0.01 1.25 -2.06 0.00 0.00 179.45 179.44 3h52 h LEU 721 N 1.06 -0.03 -1.06 2.94 5.85 -1.15 -2.38 115.31 120.55 3h52 h LEU 721 Ca 0.29 -0.27 0.12 0.00 0.84 0.00 0.00 57.88 58.86 3h52 h LEU 721 Cb -0.11 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 40.85 3h52 h LEU 721 CO -0.06 0.25 0.62 -0.07 -0.34 0.00 0.00 178.44 178.84 3h52 h LEU 722 N -0.32 0.89 -1.16 2.25 3.38 -0.48 0.14 115.31 120.00 3h52 h LEU 722 Ca -0.00 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3h52 h LEU 722 Cb 0.30 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3h52 h LEU 722 CO 0.01 0.47 -0.09 0.44 0.09 0.00 0.00 178.44 179.36 3h52 h ASP 723 N 0.95 0.46 0.29 -0.43 3.32 -0.62 -3.13 116.42 117.26 3h52 h ASP 723 Ca 0.48 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3h52 h ASP 723 Cb 0.51 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3h52 h ASP 723 CO -0.25 0.59 0.00 -1.54 -1.72 0.00 0.00 179.24 176.32 3h52 n SER 724 N -4.23 0.00 0.20 6.45 3.41 0.46 -2.54 113.62 117.37 3h52 n SER 724 Ca 0.01 -0.50 0.08 0.00 -0.26 0.00 0.00 58.87 58.20 3h52 n SER 724 Cb 0.29 -0.15 0.27 0.00 -0.26 0.00 0.00 64.21 64.36 3h52 n SER 724 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3h52 h MET 725 N 0.00 0.00 0.04 4.33 2.86 -1.43 -2.71 114.93 118.02 3h52 h MET 725 Ca 0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3h52 h MET 725 Cb 0.15 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 3h52 h MET 725 CO 0.00 0.25 -0.18 0.45 1.06 0.00 0.00 176.91 178.49 3h52 h HIS 726 N 0.00 -0.47 0.00 -0.22 3.86 -1.68 0.26 115.15 116.91 3h52 h HIS 726 Ca -0.00 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3h52 h HIS 726 Cb 0.99 0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.67 3h52 h HIS 726 CO 0.00 -0.26 0.00 1.05 0.86 0.00 0.00 177.93 179.58 3h52 h GLU 727 N -0.31 0.00 0.48 2.45 4.11 -1.75 -1.04 114.58 118.52 3h52 h GLU 727 Ca 0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.45 3h52 h GLU 727 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3h52 h GLU 727 CO -0.14 0.00 -0.23 0.28 0.07 0.00 0.00 179.01 178.99 3h52 h VAL 728 N 0.00 0.00 -0.97 -1.06 2.07 -1.08 -2.57 116.25 112.64 3h52 h VAL 728 Ca 0.00 -0.32 0.24 0.00 0.82 0.00 0.00 66.70 67.44 3h52 h VAL 728 Cb 0.67 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.32 3h52 h VAL 728 CO 0.00 0.00 0.52 0.58 0.02 0.00 0.00 177.57 178.69 3h52 h VAL 729 N -0.97 0.49 0.10 2.57 2.07 -0.37 -1.37 116.25 118.76 3h52 h VAL 729 Ca -0.07 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3h52 h VAL 729 Cb 0.50 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 3h52 h VAL 729 CO 0.11 0.09 -0.05 -0.08 0.02 0.00 0.00 177.57 177.66 3h52 h GLU 730 N 0.49 -0.12 -0.97 1.57 4.81 -1.26 0.66 114.58 119.75 3h52 h GLU 730 Ca 0.62 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.96 3h52 h GLU 730 Cb 1.21 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.55 3h52 h GLU 730 CO -0.51 0.21 0.62 -0.91 -0.73 0.00 0.00 179.01 177.70 3h52 h ASN 731 N -0.47 0.93 -0.33 1.04 2.35 -0.91 0.24 115.58 118.43 3h52 h ASN 731 Ca -0.01 0.03 -0.16 0.00 -0.55 0.00 0.00 56.30 55.60 3h52 h ASN 731 Cb 0.39 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 3h52 h ASN 731 CO 0.02 0.54 -0.43 -0.07 -1.65 0.00 0.00 177.43 175.84 3h52 h LEU 732 N 1.02 0.96 0.31 1.61 3.38 -1.17 -1.46 115.31 119.95 3h52 h LEU 732 Ca 0.45 -0.50 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3h52 h LEU 732 Cb 0.37 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3h52 h LEU 732 CO -0.21 1.26 -0.24 -0.07 0.09 0.00 0.00 178.44 179.27 3h52 h LEU 733 N 0.67 -0.63 -0.71 1.67 4.07 0.31 -0.83 115.31 119.86 3h52 h LEU 733 Ca 0.04 0.05 0.13 0.00 0.08 0.00 0.00 57.88 58.18 3h52 h LEU 733 Cb 1.03 0.21 -0.13 0.00 1.08 0.00 0.00 40.66 42.85 3h52 h LEU 733 CO 0.10 -0.37 -0.28 0.78 -1.08 0.00 0.00 178.44 177.60 3h52 h ASN 734 N -0.56 -1.00 -0.97 -0.43 2.35 -0.55 0.21 115.58 114.63 3h52 h ASN 734 Ca -0.02 0.24 0.13 0.00 -0.55 0.00 0.00 56.30 56.10 3h52 h ASN 734 Cb 0.49 0.55 -0.08 0.00 0.05 0.00 0.00 38.32 39.33 3h52 h ASN 734 CO -0.01 -0.28 0.62 0.22 -1.65 0.00 0.00 177.43 176.32 3h52 h TYR 735 N -0.07 1.06 0.34 1.19 5.03 -0.57 -1.55 116.97 122.40 3h52 h TYR 735 Ca 0.30 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.63 3h52 h TYR 735 Cb 0.56 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.51 3h52 h TYR 735 CO -0.65 0.40 -0.16 0.00 -1.32 0.00 0.00 178.16 176.43 3h52 h PHE 737 N -0.56 0.29 -0.97 0.00 0.04 -0.88 -0.21 116.94 114.64 3h52 h PHE 737 Ca -0.05 0.03 0.17 0.00 2.80 0.00 0.00 57.97 60.92 3h52 h PHE 737 Cb 0.41 -0.03 -0.10 0.00 2.20 0.00 0.00 35.95 38.43 3h52 h PHE 737 CO -0.03 0.01 0.58 0.37 -0.60 0.00 0.00 178.31 178.65 3h52 h GLN 738 N 0.32 0.77 0.15 1.51 5.75 -1.07 0.11 115.11 122.64 3h52 h GLN 738 Ca 0.32 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.77 3h52 h GLN 738 Cb 0.46 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.84 3h52 h GLN 738 CO -0.37 0.51 -0.07 1.15 -2.65 0.00 0.00 178.83 177.39 3h52 h THR 739 N 0.79 0.89 -0.82 2.39 2.02 -0.59 0.06 112.91 117.66 3h52 h THR 739 Ca 0.54 -0.16 0.13 0.00 0.77 0.00 0.00 66.41 67.69 3h52 h THR 739 Cb 0.76 1.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.08 3h52 h THR 739 CO -0.35 0.04 0.42 -0.26 0.37 0.00 0.00 175.52 175.74 3h52 h PHE 740 N -0.27 0.74 0.53 3.16 0.04 -0.06 0.81 116.94 121.89 3h52 h PHE 740 Ca -0.02 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3h52 h PHE 740 Cb 0.22 -0.21 0.01 0.00 2.20 0.00 0.00 35.95 38.16 3h52 h PHE 740 CO -0.04 0.21 -0.26 -0.07 -0.60 0.00 0.00 178.31 177.55 3h52 h LEU 741 N 0.64 -0.61 -2.25 1.54 3.38 -1.07 -1.11 115.31 115.83 3h52 h LEU 741 Ca 0.43 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.38 3h52 h LEU 741 Cb 0.56 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3h52 h LEU 741 CO -0.33 -0.28 0.24 0.44 0.09 0.00 0.00 178.44 178.60 3h52 h ASP 742 N -0.94 0.00 -0.37 -0.43 3.32 0.79 0.51 116.42 119.31 3h52 h ASP 742 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 3h52 h ASP 742 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 3h52 h ASP 742 CO 0.12 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.93 3h52 n LYS 743 N -3.35 3.07 -0.27 3.56 5.02 0.26 -4.82 118.16 121.63 3h52 n LYS 743 Ca 0.00 -2.52 -0.02 0.00 -2.02 0.00 0.00 58.31 53.75 3h52 n LYS 743 Cb 0.34 -1.62 0.04 0.00 -0.02 0.00 0.00 35.03 33.77 3h52 n LYS 743 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3h52 h THR 744 N 2.32 0.14 -0.12 -0.18 2.02 0.44 -0.01 112.91 117.52 3h52 h THR 744 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3h52 h THR 744 Cb 1.15 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3h52 h THR 744 CO 0.13 0.00 0.00 0.23 0.37 0.00 0.00 175.52 176.25 3h52 n MET 745 N -5.47 2.00 -2.55 6.66 2.81 -1.26 -4.95 117.12 114.36 3h52 n MET 745 Ca 0.08 -1.48 -0.42 0.00 -1.81 0.00 0.00 57.70 54.07 3h52 n MET 745 Cb 0.38 -1.46 -0.03 0.00 -0.71 0.00 0.00 33.22 31.40 3h52 n MET 745 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3h52 s SER 746 N -1.81 7.19 0.15 7.83 0.15 -0.02 -4.93 113.70 122.27 3h52 s SER 746 Ca 0.34 1.81 -0.19 0.00 0.70 0.00 0.00 55.95 58.61 3h52 s SER 746 Cb 0.20 -2.57 0.05 0.00 -1.71 0.00 0.00 66.02 61.99 3h52 s SER 746 CO 0.31 -0.42 1.67 0.40 1.20 0.00 0.00 173.24 176.40 3h52 h ILE 747 N 4.77 0.62 -3.55 6.45 5.03 -1.92 -3.31 117.51 125.59 3h52 h ILE 747 Ca -0.39 0.00 -0.57 0.00 -0.12 0.00 0.00 64.86 63.78 3h52 h ILE 747 Cb 1.20 0.62 -0.08 0.00 -3.03 0.00 0.00 36.82 35.52 3h52 h ILE 747 CO 0.81 0.00 0.83 -0.70 -0.68 0.00 0.00 178.15 178.41 3h52 s GLU 748 N -6.19 3.60 0.11 2.37 2.12 -1.26 -4.96 118.70 114.49 3h52 s GLU 748 Ca -0.14 0.33 0.07 0.00 0.36 0.00 0.00 54.97 55.59 3h52 s GLU 748 Cb 0.13 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.54 3h52 s GLU 748 CO 0.70 -1.43 -0.17 0.12 -0.54 0.00 0.00 175.26 173.94 3h52 s PHE 749 N 4.38 1.53 -1.35 5.30 5.36 -1.25 -5.05 117.98 126.90 3h52 s PHE 749 Ca 0.43 -0.48 -0.16 0.00 -0.96 0.00 0.00 56.93 55.76 3h52 s PHE 749 Cb -0.08 -0.82 0.07 0.00 -0.34 0.00 0.00 43.02 41.85 3h52 s PHE 749 CO 0.28 0.16 1.89 -0.35 -1.46 0.00 0.00 175.22 175.75 3h52 n PRO 750 N 0.87 3.12 0.00 10.12 -0.04 -1.26 -4.85 135.00 142.95 3h52 n PRO 750 Ca -0.18 -3.11 0.00 0.00 -0.04 0.00 0.00 63.50 60.18 3h52 n PRO 750 Cb 0.55 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.64 3h52 n PRO 750 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3h52 n GLU 751 N 7.21 0.00 -0.10 0.54 1.02 -1.26 -0.61 120.64 127.44 3h52 n GLU 751 Ca 0.49 0.48 -0.03 0.00 -0.02 0.00 0.00 57.16 58.08 3h52 n GLU 751 Cb 0.43 -1.18 -0.02 0.00 -0.02 0.00 0.00 31.44 30.65 3h52 n GLU 751 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3h52 n MET 752 N -1.45 -0.11 -0.21 3.49 2.81 -1.26 -0.80 117.12 119.60 3h52 n MET 752 Ca 0.00 0.62 -0.09 0.00 -1.81 0.00 0.00 57.70 56.42 3h52 n MET 752 Cb 0.00 -0.92 0.03 0.00 -0.71 0.00 0.00 33.22 31.62 3h52 n MET 752 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3h52 h LEU 753 N 0.00 1.04 -0.60 4.03 5.85 -1.96 -2.51 115.31 121.17 3h52 h LEU 753 Ca 0.04 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 3h52 h LEU 753 Cb 0.10 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 3h52 h LEU 753 CO -0.23 1.10 0.31 0.00 -0.34 0.00 0.00 178.44 179.28 3h52 h ALA 754 N 1.01 0.77 -0.20 1.25 0.00 0.96 -1.81 119.26 121.24 3h52 h ALA 754 Ca 0.17 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3h52 h ALA 754 Cb 0.57 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3h52 h ALA 754 CO 0.03 0.31 -0.13 1.49 0.00 0.00 0.00 179.25 180.96 3h52 h GLU 755 N 0.81 -0.11 -0.06 0.00 4.81 -0.65 0.12 114.58 119.50 3h52 h GLU 755 Ca 0.21 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3h52 h GLU 755 Cb 0.09 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3h52 h GLU 755 CO -0.03 -0.08 0.04 0.82 -0.73 0.00 0.00 179.01 179.03 3h52 h ILE 756 N -0.12 1.02 -0.01 2.32 2.04 -1.24 -0.66 117.51 120.87 3h52 h ILE 756 Ca 0.11 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.80 3h52 h ILE 756 Cb 0.29 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3h52 h ILE 756 CO -0.27 0.02 -0.56 0.40 0.00 0.00 0.00 178.15 177.74 3h52 h ILE 757 N 0.07 1.40 -0.25 -0.67 2.04 -1.16 -2.03 117.51 116.91 3h52 h ILE 757 Ca 0.02 -1.93 -0.13 0.00 1.00 0.00 0.00 64.86 63.82 3h52 h ILE 757 Cb 0.00 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 3h52 h ILE 757 CO -0.00 0.55 -0.34 0.74 0.00 0.00 0.00 178.15 179.10 3h52 h THR 758 N 0.02 1.31 0.00 -0.27 2.02 -0.62 -3.03 112.91 112.34 3h52 h THR 758 Ca -0.01 -1.53 -0.03 0.00 0.77 0.00 0.00 66.41 65.62 3h52 h THR 758 Cb 1.00 1.70 -0.00 0.00 -1.74 0.00 0.00 68.15 69.11 3h52 h THR 758 CO 0.07 0.48 -0.14 0.78 0.37 0.00 0.00 175.52 177.09 3h52 h ASN 759 N 0.39 0.00 0.59 4.18 2.35 -0.82 -2.55 115.58 119.72 3h52 h ASN 759 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3h52 h ASN 759 Cb 0.92 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.29 3h52 h ASN 759 CO 0.08 0.14 -0.45 0.00 -1.65 0.00 0.00 177.43 175.55 3h52 n GLN 760 N -3.52 0.03 0.04 0.81 3.00 -0.79 -4.36 117.38 112.59 3h52 n GLN 760 Ca -0.01 0.01 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 3h52 n GLN 760 Cb 0.29 -1.52 -0.07 0.00 0.00 0.00 0.00 30.24 28.95 3h52 n GLN 760 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 3h52 h ILE 761 N 0.00 0.15 -0.40 5.09 1.08 -1.33 -3.01 117.51 119.09 3h52 h ILE 761 Ca 0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 3h52 h ILE 761 Cb 0.52 0.15 -0.07 0.00 -3.07 0.00 0.00 36.82 34.35 3h52 h ILE 761 CO 0.00 0.00 -0.12 -2.65 -0.69 0.00 0.00 178.15 174.69 3h52 n PRO 762 N -5.44 -0.05 0.00 2.37 -0.02 -1.26 -2.77 135.00 127.82 3h52 n PRO 762 Ca -0.05 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3h52 n PRO 762 Cb 0.37 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 3h52 n PRO 762 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3h52 n LYS 763 N -4.64 0.00 -0.64 -0.52 0.00 -1.14 -4.32 118.16 106.90 3h52 n LYS 763 Ca 0.06 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.20 3h52 n LYS 763 Cb 0.19 -0.62 -0.03 0.00 -0.00 0.00 0.00 35.03 34.56 3h52 n LYS 763 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.40 179.88 3h52 n TYR 764 N -0.41 0.96 0.00 5.58 4.11 -1.12 -2.64 117.16 123.64 3h52 n TYR 764 Ca 0.00 -1.59 0.00 0.00 -0.00 0.00 0.00 57.90 56.31 3h52 n TYR 764 Cb 0.00 -1.45 0.00 0.00 -0.00 0.00 0.00 39.34 37.89 3h52 n TYR 764 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 3h52 n SER 765 N 3.90 0.42 -1.83 9.48 7.64 -1.25 -4.81 113.62 127.18 3h52 n SER 765 Ca 0.36 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 60.13 3h52 n SER 765 Cb 0.20 0.00 0.23 0.00 -1.01 0.00 0.00 64.21 63.63 3h52 n SER 765 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3h52 n ASN 766 N -2.08 3.80 -1.67 6.43 6.94 -1.14 -4.89 115.26 122.64 3h52 n ASN 766 Ca 0.00 -3.49 -0.14 0.00 -0.02 0.00 0.00 54.58 50.93 3h52 n ASN 766 Cb 0.09 -0.75 0.00 0.00 -2.36 0.00 0.00 39.78 36.77 3h52 n ASN 766 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3h52 n GLY 767 N -0.80 -0.16 2.37 4.83 0.00 -1.26 -4.93 105.19 105.24 3h52 n GLY 767 Ca 0.46 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3h52 n GLY 767 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h52 n ASN 768 N -0.69 7.18 -2.73 1.61 4.13 -1.08 -4.51 115.26 119.16 3h52 n ASN 768 Ca -0.13 -2.95 -0.05 0.00 1.68 0.00 0.00 54.58 53.13 3h52 n ASN 768 Cb 0.61 -1.36 0.03 0.00 -1.54 0.00 0.00 39.78 37.51 3h52 n ASN 768 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h52 n ILE 769 N 1.91 0.00 -1.99 2.41 3.06 -1.26 -4.13 119.36 119.36 3h52 n ILE 769 Ca 0.58 -0.94 -0.37 0.00 -2.50 0.00 0.00 62.75 59.51 3h52 n ILE 769 Cb 0.46 1.06 -0.03 0.00 0.54 0.00 0.00 39.64 41.66 3h52 n ILE 769 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 3h52 s LYS 770 N 0.78 2.56 -0.43 9.51 2.20 0.90 -4.88 119.74 130.37 3h52 s LYS 770 Ca 0.29 0.62 -0.28 0.00 -0.36 0.00 0.00 55.97 56.24 3h52 s LYS 770 Cb 0.10 -4.46 -0.00 0.00 -1.51 0.00 0.00 37.83 31.96 3h52 s LYS 770 CO -0.11 -2.85 1.59 0.15 -0.36 0.00 0.00 175.35 173.76 3h52 s LYS 771 N 7.18 3.34 -0.15 4.03 1.02 -1.26 -1.59 119.74 132.32 3h52 s LYS 771 Ca 0.71 0.98 -0.29 0.00 0.02 0.00 0.00 55.97 57.38 3h52 s LYS 771 Cb -0.13 -4.14 -0.03 0.00 -0.52 0.00 0.00 37.83 33.01 3h52 s LYS 771 CO 0.20 -1.85 1.56 -0.51 -0.92 0.00 0.00 175.35 173.82 3h52 s LEU 772 N 6.42 4.11 0.25 3.17 1.43 -0.50 -4.99 118.68 128.57 3h52 s LEU 772 Ca 0.67 1.86 0.07 0.00 -1.03 0.00 0.00 54.13 55.69 3h52 s LEU 772 Cb -0.16 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 3h52 s LEU 772 CO 0.30 -1.04 0.18 -0.76 0.23 0.00 0.00 176.35 175.27 3h52 s LEU 773 N 4.43 3.78 -0.10 1.79 1.43 -1.26 -4.78 118.68 123.96 3h52 s LEU 773 Ca 0.69 -0.27 0.20 0.00 -1.03 0.00 0.00 54.13 53.72 3h52 s LEU 773 Cb -0.27 -2.31 -0.30 0.00 0.03 0.00 0.00 46.19 43.33 3h52 s LEU 773 CO 0.26 -0.03 0.31 0.49 0.23 0.00 0.00 176.35 177.62 3h52 n PHE 774 N -1.11 0.00 -3.16 0.29 3.72 -1.26 -4.70 117.46 111.25 3h52 n PHE 774 Ca -0.08 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.06 3h52 n PHE 774 Cb 0.58 -0.69 -0.06 0.00 -0.94 0.00 0.00 39.48 38.37 3h52 n PHE 774 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3h52 n HIS 775 N -2.45 3.64 0.00 1.38 8.25 -1.26 -5.07 115.22 119.70 3h52 n HIS 775 Ca -0.15 -4.05 0.00 0.00 -0.26 0.00 0.00 57.72 53.26 3h52 n HIS 775 Cb 0.80 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 31.40 3h52 n HIS 775 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98