#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hco n LYS 566 N 0.00 0.85 -1.93 5.56 5.02 -1.26 -4.94 118.16 121.46 3hco n LYS 566 Ca 0.00 0.34 -0.40 0.00 -2.02 0.00 0.00 58.31 56.23 3hco n LYS 566 Cb 0.00 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 32.69 3hco n LYS 566 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3hco s PRO 567 N -3.17 3.95 -0.25 1.97 0.04 -1.26 -4.63 135.00 131.65 3hco s PRO 567 Ca 0.78 2.32 -0.07 0.00 0.04 0.00 0.00 61.00 64.08 3hco s PRO 567 Cb -0.38 -2.80 -0.16 0.00 0.04 0.00 0.00 34.50 31.20 3hco s PRO 567 CO 0.45 -0.57 -0.18 1.17 0.04 0.00 0.00 177.00 177.92 3hco n LYS 568 N 0.17 0.63 -4.04 4.56 4.81 -0.12 -4.53 118.16 119.64 3hco n LYS 568 Ca 0.03 0.24 -0.31 0.00 -0.87 0.00 0.00 58.31 57.40 3hco n LYS 568 Cb 0.42 -1.55 -0.16 0.00 0.02 0.00 0.00 35.03 33.76 3hco n LYS 568 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3hco s THR 569 N -2.51 1.75 -0.16 3.15 2.01 -1.03 -1.19 115.64 117.67 3hco s THR 569 Ca -0.35 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 60.61 3hco s THR 569 Cb 0.11 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 3hco s THR 569 CO 0.58 0.33 0.26 -0.83 -0.69 0.00 0.00 174.62 174.27 3hco s GLY 570 N 1.38 2.18 -0.39 4.40 0.00 -0.16 -1.20 107.32 113.53 3hco s GLY 570 Ca 0.02 -0.50 -0.04 0.00 0.00 0.00 0.00 44.72 44.19 3hco s GLY 570 CO -0.10 0.33 0.18 -0.42 0.00 0.00 0.00 173.10 173.09 3hco s ILE 571 N 0.33 3.45 -0.43 0.90 1.09 0.18 -1.05 121.20 125.67 3hco s ILE 571 Ca 0.15 -1.79 -0.24 0.00 -1.10 0.00 0.00 60.65 57.67 3hco s ILE 571 Cb -0.13 -3.24 0.02 0.00 -1.06 0.00 0.00 42.46 38.06 3hco s ILE 571 CO 0.03 -0.55 0.86 -0.22 -0.10 0.00 0.00 174.94 174.96 3hco s LEU 572 N 1.23 4.09 -0.39 2.97 2.96 0.94 -0.36 118.68 130.13 3hco s LEU 572 Ca 0.05 0.16 -0.20 0.00 -0.22 0.00 0.00 54.13 53.92 3hco s LEU 572 Cb -0.22 -3.11 0.01 0.00 0.50 0.00 0.00 46.19 43.37 3hco s LEU 572 CO -0.02 -0.93 0.60 -0.04 -1.32 0.00 0.00 176.35 174.64 3hco s MET 573 N 3.47 3.47 -0.14 1.98 -1.94 0.17 -0.23 119.30 126.08 3hco s MET 573 Ca 0.34 -0.21 -0.06 0.00 -1.71 0.00 0.00 55.69 54.04 3hco s MET 573 Cb -0.11 -3.87 -0.04 0.00 2.01 0.00 0.00 34.83 32.81 3hco s MET 573 CO 0.23 -0.83 0.08 -0.51 -0.01 0.00 0.00 175.02 173.98 3hco s LEU 574 N 2.65 4.01 0.26 -0.03 1.43 -0.68 -0.84 118.68 125.48 3hco s LEU 574 Ca 0.22 0.25 -0.21 0.00 -1.03 0.00 0.00 54.13 53.35 3hco s LEU 574 Cb -0.15 -1.98 0.04 0.00 0.03 0.00 0.00 46.19 44.13 3hco s LEU 574 CO 0.16 0.30 0.80 0.21 0.23 0.00 0.00 176.35 178.05 3hco s ASN 575 N -0.40 -0.20 0.45 2.29 3.84 -1.04 -0.64 114.94 119.24 3hco s ASN 575 Ca 0.10 -0.63 0.25 0.00 0.21 0.00 0.00 52.86 52.79 3hco s ASN 575 Cb -0.12 0.68 0.56 0.00 -0.55 0.00 0.00 41.25 41.82 3hco s ASN 575 CO 0.02 -1.27 1.69 0.00 -2.79 0.00 0.00 177.10 174.74 3hco h MET 576 N 2.00 0.00 0.00 0.43 -0.00 -1.93 0.14 114.93 115.57 3hco h MET 576 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.48 3hco h MET 576 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.84 3hco h MET 576 CO 0.26 0.05 0.00 0.41 -0.00 0.00 0.00 176.91 177.64 3hco n GLY 577 N 0.84 -1.43 3.57 -3.00 0.00 -1.26 -1.76 105.19 102.15 3hco n GLY 577 Ca 0.03 -1.26 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 3hco n GLY 577 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hco s GLY 578 N -1.87 -0.27 -0.01 -0.02 0.00 -1.26 -4.96 107.32 98.93 3hco s GLY 578 Ca 0.00 1.92 -0.30 0.00 0.00 0.00 0.00 44.72 46.34 3hco s GLY 578 CO 0.00 0.91 1.60 2.56 0.00 0.00 0.00 173.10 178.18 3hco s PRO 579 N -1.45 4.21 0.30 2.90 0.04 -1.26 -4.80 135.00 134.93 3hco s PRO 579 Ca 0.01 2.19 0.02 0.00 0.04 0.00 0.00 61.00 63.25 3hco s PRO 579 Cb -0.01 -3.79 0.48 0.00 0.04 0.00 0.00 34.50 31.22 3hco s PRO 579 CO -0.01 -0.76 1.80 1.49 0.04 0.00 0.00 177.00 179.56 3hco h GLU 580 N 8.83 0.58 -4.61 4.56 4.81 -1.90 0.21 114.58 127.06 3hco h GLU 580 Ca -0.40 -0.16 -0.25 0.00 -0.13 0.00 0.00 59.36 58.42 3hco h GLU 580 Cb 1.18 -0.07 -0.15 0.00 0.63 0.00 0.00 28.75 30.35 3hco h GLU 580 CO 0.94 0.66 -0.62 0.95 -0.73 0.00 0.00 179.01 180.21 3hco s THR 581 N -4.84 0.02 0.37 0.32 -4.23 -1.26 -4.24 115.64 101.78 3hco s THR 581 Ca -0.08 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.71 3hco s THR 581 Cb 0.15 -2.50 0.30 0.00 1.34 0.00 0.00 72.50 71.78 3hco s THR 581 CO 0.78 0.00 2.05 -0.07 -0.54 0.00 0.00 174.62 176.84 3hco h LEU 582 N 2.60 0.00 -1.79 4.79 3.38 -1.85 0.56 115.31 123.01 3hco h LEU 582 Ca -0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3hco h LEU 582 Cb 1.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 3hco h LEU 582 CO 0.53 0.12 -0.15 1.23 0.09 0.00 0.00 178.44 180.26 3hco h GLY 583 N 1.02 0.00 1.29 0.83 0.00 -1.96 -3.00 103.07 101.26 3hco h GLY 583 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hco h GLY 583 CO 0.02 0.00 -0.06 1.22 0.00 0.00 0.00 176.54 177.71 3hco n ASP 584 N -4.00 0.21 0.04 0.19 8.00 0.19 -4.40 116.55 116.78 3hco n ASP 584 Ca -0.02 -0.30 -0.12 0.00 0.71 0.00 0.00 54.79 55.06 3hco n ASP 584 Cb 0.24 -0.19 -0.07 0.00 -0.02 0.00 0.00 41.12 41.08 3hco n ASP 584 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hco h VAL 585 N 0.23 1.02 -0.38 2.53 2.07 -1.61 -2.77 116.25 117.34 3hco h VAL 585 Ca 0.00 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.52 3hco h VAL 585 Cb 0.33 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 3hco h VAL 585 CO 0.00 0.02 -0.08 -0.74 0.02 0.00 0.00 177.57 176.79 3hco h HIS 586 N -0.04 -0.17 -0.00 1.57 -0.00 -1.82 -0.65 115.15 114.03 3hco h HIS 586 Ca -0.00 0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.24 3hco h HIS 586 Cb 0.04 0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.56 3hco h HIS 586 CO -0.07 -0.15 -0.77 -0.44 -0.00 0.00 0.00 177.93 176.51 3hco h ASP 587 N 0.02 0.01 0.18 3.26 5.19 -1.86 0.97 116.42 124.18 3hco h ASP 587 Ca 0.18 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 3hco h ASP 587 Cb 0.28 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 3hco h ASP 587 CO -0.38 0.77 -0.18 0.15 -3.12 0.00 0.00 179.24 176.49 3hco h PHE 588 N 0.00 -0.46 -0.62 4.55 3.57 -1.16 -1.78 116.94 121.04 3hco h PHE 588 Ca -0.01 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3hco h PHE 588 Cb 1.36 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 40.25 3hco h PHE 588 CO 0.00 -0.27 0.30 -0.07 -2.23 0.00 0.00 178.31 176.05 3hco h LEU 589 N -0.39 0.80 -0.10 0.59 3.38 -0.91 -2.20 115.31 116.48 3hco h LEU 589 Ca 0.00 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.89 3hco h LEU 589 Cb 0.37 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 3hco h LEU 589 CO -0.04 0.70 -0.26 0.25 0.09 0.00 0.00 178.44 179.18 3hco h LEU 590 N 0.84 -0.79 -1.54 1.67 5.85 -0.71 -0.21 115.31 120.42 3hco h LEU 590 Ca 0.21 0.12 -0.05 0.00 0.84 0.00 0.00 57.88 59.00 3hco h LEU 590 Cb 0.10 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3hco h LEU 590 CO -0.03 -0.31 -0.24 0.03 -0.34 0.00 0.00 178.44 177.56 3hco h ARG 591 N -0.34 0.00 -0.07 1.25 3.08 -1.22 -2.20 114.38 114.87 3hco h ARG 591 Ca 0.09 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 3hco h ARG 591 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3hco h ARG 591 CO -0.30 0.24 -0.14 1.25 -1.07 0.00 0.00 179.97 179.95 3hco h LEU 592 N 0.00 0.25 -1.21 3.04 6.46 -0.90 -2.96 115.31 119.98 3hco h LEU 592 Ca -0.00 -0.55 0.00 0.00 -0.12 0.00 0.00 57.88 57.20 3hco h LEU 592 Cb 0.43 -0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 3hco h LEU 592 CO 0.03 0.75 0.00 -0.26 -0.62 0.00 0.00 178.44 178.34 3hco h PHE 593 N -0.25 0.00 0.00 1.25 -1.00 -0.88 -2.36 116.94 113.70 3hco h PHE 593 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3hco h PHE 593 Cb 0.71 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.27 3hco h PHE 593 CO 0.11 0.00 -0.35 1.28 -1.61 0.00 0.00 178.31 177.74 3hco n LEU 594 N -2.74 0.50 -4.56 1.54 4.77 -0.84 -4.69 117.00 110.98 3hco n LEU 594 Ca 0.01 0.28 -0.40 0.00 -0.03 0.00 0.00 56.01 55.87 3hco n LEU 594 Cb 0.26 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3hco n LEU 594 CO 0.24 -0.01 1.36 -0.62 -1.33 0.00 0.00 177.39 177.03 3hco s ASP 595 N -3.63 5.82 0.35 -1.43 3.68 -0.89 -4.87 116.67 115.71 3hco s ASP 595 Ca 0.10 0.11 0.27 0.00 2.13 0.00 0.00 52.55 55.16 3hco s ASP 595 Cb 0.16 -2.54 1.07 0.00 -1.45 0.00 0.00 42.92 40.15 3hco s ASP 595 CO 0.65 -1.99 1.80 0.03 0.13 0.00 0.00 175.17 175.79 3hco h ARG 596 N 12.20 0.00 0.00 4.34 3.08 -1.89 -1.49 114.38 130.62 3hco h ARG 596 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 3hco h ARG 596 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3hco h ARG 596 CO 1.22 0.00 0.00 -0.44 -1.07 0.00 0.00 179.97 179.68 3hco h ASP 597 N 0.00 0.00 0.00 7.04 3.32 -1.96 -3.34 116.42 121.48 3hco h ASP 597 Ca 0.00 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.67 3hco h ASP 597 Cb 0.46 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 3hco h ASP 597 CO 0.00 0.00 -2.11 -0.11 -1.72 0.00 0.00 179.24 175.30 3hco n LEU 598 N -2.46 1.93 -3.73 1.55 7.94 -0.63 -4.50 117.00 117.10 3hco n LEU 598 Ca 0.03 0.37 -0.13 0.00 -1.11 0.00 0.00 56.01 55.17 3hco n LEU 598 Cb 0.31 -0.86 -0.07 0.00 0.53 0.00 0.00 43.42 43.32 3hco n LEU 598 CO 0.24 0.45 0.06 0.00 -1.11 0.00 0.00 177.39 177.04 3hco s MET 599 N -2.47 0.79 -0.11 1.96 0.23 -0.79 -4.94 119.30 113.98 3hco s MET 599 Ca -0.35 -0.36 0.03 0.00 -1.03 0.00 0.00 55.69 53.98 3hco s MET 599 Cb 0.12 0.35 -0.01 0.00 -1.53 0.00 0.00 34.83 33.76 3hco s MET 599 CO 0.52 -0.25 -0.20 -0.08 -2.03 0.00 0.00 175.02 172.98 3hco s THR 600 N -2.11 2.42 0.15 3.16 -1.32 -1.26 -3.96 115.64 112.71 3hco s THR 600 Ca -0.08 -0.89 0.09 0.00 -1.21 0.00 0.00 61.69 59.59 3hco s THR 600 Cb -0.02 -1.96 -0.04 0.00 -1.51 0.00 0.00 72.50 68.97 3hco s THR 600 CO -0.00 0.55 -0.20 -0.76 -2.21 0.00 0.00 174.62 172.00 3hco s LEU 601 N 0.28 2.39 0.54 9.08 1.43 -1.26 -5.12 118.68 126.02 3hco s LEU 601 Ca -0.14 -0.80 -0.18 0.00 -1.03 0.00 0.00 54.13 51.98 3hco s LEU 601 Cb -0.17 -0.90 -0.06 0.00 0.03 0.00 0.00 46.19 45.09 3hco s LEU 601 CO 0.07 0.02 1.05 -2.16 0.23 0.00 0.00 176.35 175.56 3hco s PRO 602 N -2.47 3.55 -1.12 1.29 0.04 -1.26 -3.46 135.00 131.58 3hco s PRO 602 Ca 0.13 1.26 -0.08 0.00 0.04 0.00 0.00 61.00 62.35 3hco s PRO 602 Cb -0.07 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.41 3hco s PRO 602 CO 0.06 -0.62 0.15 0.44 0.04 0.00 0.00 177.00 177.07 3hco n ILE 603 N -1.56 -1.13 -0.10 0.56 -5.35 -1.26 -4.74 119.36 105.78 3hco n ILE 603 Ca 0.09 -0.41 -0.06 0.00 -0.27 0.00 0.00 62.75 62.10 3hco n ILE 603 Cb 0.53 -1.04 0.02 0.00 -1.74 0.00 0.00 39.64 37.40 3hco n ILE 603 CO 0.00 0.00 0.00 -0.61 -1.76 0.00 0.00 176.55 174.18 3hco h GLN 604 N -1.21 0.17 0.00 6.28 4.15 -1.97 0.37 115.11 122.90 3hco h GLN 604 Ca -0.52 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 58.88 3hco h GLN 604 Cb 1.08 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.73 3hco h GLN 604 CO 0.50 0.12 -0.02 -0.91 -1.93 0.00 0.00 178.83 176.59 3hco h ASN 605 N 0.18 0.00 0.26 -0.69 2.35 -1.91 0.18 115.58 115.95 3hco h ASN 605 Ca 0.17 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.58 3hco h ASN 605 Cb 0.19 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.52 3hco h ASN 605 CO -0.22 0.02 -1.98 0.29 -1.65 0.00 0.00 177.43 173.89 3hco n LYS 606 N -3.48 0.68 0.09 0.81 4.76 -0.82 -4.48 118.16 115.72 3hco n LYS 606 Ca -0.03 0.22 -0.20 0.00 -2.87 0.00 0.00 58.31 55.44 3hco n LYS 606 Cb 0.12 -1.70 -0.15 0.00 -1.84 0.00 0.00 35.03 31.47 3hco n LYS 606 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3hco h LEU 607 N 0.02 0.55 -0.31 -0.35 5.85 -0.29 -3.31 115.31 117.47 3hco h LEU 607 Ca -0.40 -0.68 0.05 0.00 0.84 0.00 0.00 57.88 57.70 3hco h LEU 607 Cb 2.05 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.86 3hco h LEU 607 CO 0.06 1.55 0.03 0.00 -0.34 0.00 0.00 178.44 179.74 3hco h ALA 608 N 0.37 0.30 -0.89 1.25 0.00 -0.90 0.22 119.26 119.61 3hco h ALA 608 Ca -0.24 0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hco h ALA 608 Cb 2.06 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.90 3hco h ALA 608 CO 0.20 -0.38 0.58 -1.35 0.00 0.00 0.00 179.25 178.30 3hco h PRO 609 N 0.13 1.10 -0.06 0.00 0.11 -1.79 0.19 132.00 131.68 3hco h PRO 609 Ca 0.15 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 3hco h PRO 609 Cb 0.18 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.04 3hco h PRO 609 CO -0.22 0.72 0.01 0.35 -0.21 0.00 0.00 178.00 178.66 3hco h PHE 610 N 1.13 0.11 -0.41 0.65 3.57 -1.57 -1.16 116.94 119.26 3hco h PHE 610 Ca 0.35 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.82 3hco h PHE 610 Cb -0.01 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3hco h PHE 610 CO -0.02 0.35 0.21 0.82 -2.23 0.00 0.00 178.31 177.44 3hco h ILE 611 N -0.16 1.17 -0.52 1.41 2.04 -0.66 0.04 117.51 120.83 3hco h ILE 611 Ca 0.02 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.48 3hco h ILE 611 Cb 0.30 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 3hco h ILE 611 CO 0.00 0.18 0.20 0.00 0.00 0.00 0.00 178.15 178.53 3hco h ALA 612 N 1.06 0.65 -0.40 1.87 0.00 -0.59 0.00 119.26 121.84 3hco h ALA 612 Ca 0.14 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3hco h ALA 612 Cb 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hco h ALA 612 CO -0.02 -0.19 0.12 -0.22 0.00 0.00 0.00 179.25 178.94 3hco h LYS 613 N 0.39 0.63 -0.75 0.00 1.63 -0.97 -1.92 116.57 115.58 3hco h LYS 613 Ca 0.25 -0.14 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 3hco h LYS 613 Cb 0.26 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.76 3hco h LYS 613 CO -0.24 0.64 0.45 -0.09 -3.45 0.00 0.00 179.45 176.76 3hco h ARG 614 N 0.51 1.02 -0.00 1.90 2.43 -0.61 -3.16 114.38 116.47 3hco h ARG 614 Ca 0.13 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3hco h ARG 614 Cb 0.28 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3hco h ARG 614 CO -0.00 0.72 -0.47 0.54 -1.51 0.00 0.00 179.97 179.25 3hco n ARG 615 N -4.50 0.45 -0.12 0.20 1.74 -0.05 -4.45 116.66 109.93 3hco n ARG 615 Ca 0.07 -0.30 -0.05 0.00 -0.77 0.00 0.00 57.85 56.80 3hco n ARG 615 Cb 0.06 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.03 3hco n ARG 615 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 3hco h THR 616 N 0.73 0.75 -0.58 0.55 2.02 -1.31 -1.86 112.91 113.21 3hco h THR 616 Ca 0.00 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 3hco h THR 616 Cb 0.53 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3hco h THR 616 CO 0.00 0.03 0.29 -0.65 0.37 0.00 0.00 175.52 175.56 3hco h PRO 617 N 0.15 0.83 -0.43 6.66 0.11 -1.79 0.70 132.00 138.23 3hco h PRO 617 Ca 0.19 -0.11 0.03 0.00 0.11 0.00 0.00 66.00 66.22 3hco h PRO 617 Cb 0.25 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.18 3hco h PRO 617 CO -0.29 0.66 0.22 -0.22 -0.21 0.00 0.00 178.00 178.16 3hco h LYS 618 N 0.79 0.43 -0.08 1.05 3.64 -1.78 -1.63 116.57 118.98 3hco h LYS 618 Ca 0.20 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.36 3hco h LYS 618 Cb 0.09 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3hco h LYS 618 CO -0.03 0.29 -0.77 0.82 -2.27 0.00 0.00 179.45 177.48 3hco h ILE 619 N 0.44 1.36 -0.50 2.00 1.08 -1.04 -1.85 117.51 119.00 3hco h ILE 619 Ca 0.18 -2.14 0.03 0.00 -0.39 0.00 0.00 64.86 62.54 3hco h ILE 619 Cb 0.08 2.13 -0.04 0.00 -3.07 0.00 0.00 36.82 35.92 3hco h ILE 619 CO -0.12 0.65 0.28 1.56 -0.69 0.00 0.00 178.15 179.83 3hco h GLN 620 N 0.33 0.55 -0.84 2.37 4.20 -0.79 -1.21 115.11 119.71 3hco h GLN 620 Ca -0.04 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.65 3hco h GLN 620 Cb 1.37 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.98 3hco h GLN 620 CO 0.14 0.36 0.55 1.49 -0.67 0.00 0.00 178.83 180.71 3hco h GLU 621 N 0.56 1.08 -0.63 1.46 4.57 -1.05 0.18 114.58 120.75 3hco h GLU 621 Ca 0.21 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.27 3hco h GLU 621 Cb 0.05 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 3hco h GLU 621 CO -0.11 0.72 0.20 1.96 -1.18 0.00 0.00 179.01 180.60 3hco h GLN 622 N 1.12 0.97 -0.51 1.92 1.08 -0.87 -1.43 115.11 117.39 3hco h GLN 622 Ca 0.32 -0.21 -0.09 0.00 -1.45 0.00 0.00 58.65 57.22 3hco h GLN 622 Cb -0.10 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.17 3hco h GLN 622 CO -0.08 0.86 -0.05 1.88 -0.95 0.00 0.00 178.83 180.48 3hco h TYR 623 N 0.90 0.98 -0.81 2.96 -1.99 -0.81 -2.43 116.97 115.77 3hco h TYR 623 Ca 0.20 -0.17 0.07 0.00 2.00 0.00 0.00 58.73 60.83 3hco h TYR 623 Cb 0.28 -0.26 -0.06 0.00 2.00 0.00 0.00 36.73 38.69 3hco h TYR 623 CO 0.02 0.91 0.49 -0.09 -0.00 0.00 0.00 178.16 179.49 3hco h ARG 624 N 0.82 0.84 0.00 4.88 2.43 -0.34 0.28 114.38 123.29 3hco h ARG 624 Ca 0.14 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3hco h ARG 624 Cb 0.56 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 3hco h ARG 624 CO 0.03 0.56 0.00 0.00 -1.51 0.00 0.00 179.97 179.05 3hco h ARG 625 N 0.87 0.00 -0.22 0.20 2.47 -0.76 -1.84 114.38 115.10 3hco h ARG 625 Ca 0.37 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 59.02 3hco h ARG 625 Cb 0.23 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.51 3hco h ARG 625 CO -0.20 0.00 -0.07 0.44 0.56 0.00 0.00 179.97 180.71 3hco n ILE 626 N -2.81 2.30 0.00 2.04 -5.35 -0.66 -4.95 119.36 109.93 3hco n ILE 626 Ca -0.02 -2.38 0.00 0.00 -0.27 0.00 0.00 62.75 60.09 3hco n ILE 626 Cb 0.11 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 37.73 3hco n ILE 626 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hco n GLY 627 N -0.96 0.70 0.00 3.28 0.00 -0.69 -4.65 105.19 102.88 3hco n GLY 627 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3hco n GLY 627 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hco n GLY 628 N -1.23 0.95 0.00 -0.02 0.00 -0.00 -4.97 105.19 99.92 3hco n GLY 628 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hco n GLY 628 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hco n GLY 629 N -0.93 -1.10 3.79 -0.02 0.00 -1.21 -2.96 105.19 102.76 3hco n GLY 629 Ca 0.00 -1.04 -0.37 0.00 0.00 0.00 0.00 46.02 44.61 3hco n GLY 629 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hco s SER 630 N -4.00 6.51 -0.02 1.61 0.15 0.73 -4.93 113.70 113.75 3hco s SER 630 Ca 0.00 0.60 0.12 0.00 0.70 0.00 0.00 55.95 57.37 3hco s SER 630 Cb 0.00 -2.17 0.37 0.00 -1.71 0.00 0.00 66.02 62.51 3hco s SER 630 CO 0.00 0.23 1.28 -0.81 1.20 0.00 0.00 173.24 175.13 3hco n PRO 631 N 2.77 2.14 -0.32 5.44 -0.04 -1.26 -4.41 135.00 139.32 3hco n PRO 631 Ca -0.14 -1.49 0.08 0.00 -0.04 0.00 0.00 63.50 61.90 3hco n PRO 631 Cb 0.53 -1.42 0.24 0.00 -0.04 0.00 0.00 33.50 32.81 3hco n PRO 631 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3hco h ILE 632 N 2.32 0.77 -0.33 0.52 2.10 -1.92 -1.77 117.51 119.20 3hco h ILE 632 Ca 0.00 -0.25 -0.02 0.00 1.08 0.00 0.00 64.86 65.68 3hco h ILE 632 Cb 0.67 -0.02 -0.01 0.00 -1.09 0.00 0.00 36.82 36.37 3hco h ILE 632 CO 0.05 0.13 0.14 0.50 -1.08 0.00 0.00 178.15 177.89 3hco h LYS 633 N 0.72 0.48 -0.39 2.19 3.64 -1.91 0.49 116.57 121.80 3hco h LYS 633 Ca 0.49 -0.08 -0.06 0.00 -1.27 0.00 0.00 60.65 59.73 3hco h LYS 633 Cb 0.66 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3hco h LYS 633 CO -0.34 0.47 0.02 0.82 -2.27 0.00 0.00 179.45 178.15 3hco h ILE 634 N 0.38 1.25 -0.58 2.00 5.03 -1.78 -1.70 117.51 122.12 3hco h ILE 634 Ca 0.11 -0.96 -0.10 0.00 -0.12 0.00 0.00 64.86 63.79 3hco h ILE 634 Cb 0.16 1.11 -0.02 0.00 -3.03 0.00 0.00 36.82 35.05 3hco h ILE 634 CO -0.01 0.33 -0.04 -0.50 -0.68 0.00 0.00 178.15 177.25 3hco h TRP 635 N 0.51 1.15 -0.59 1.37 -0.00 -1.25 -1.87 115.95 115.26 3hco h TRP 635 Ca 0.11 -0.21 -0.08 0.00 -0.00 0.00 0.00 58.89 58.71 3hco h TRP 635 Cb 0.44 -0.29 -0.02 0.00 -0.00 0.00 0.00 29.16 29.29 3hco h TRP 635 CO 0.03 1.03 0.06 1.15 -0.00 0.00 0.00 178.44 180.72 3hco h THR 636 N 0.93 1.26 0.11 1.49 2.02 -0.76 -0.68 112.91 117.28 3hco h THR 636 Ca 0.16 -1.04 0.01 0.00 0.77 0.00 0.00 66.41 66.31 3hco h THR 636 Cb 0.60 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3hco h THR 636 CO 0.04 0.38 -0.16 0.28 0.37 0.00 0.00 175.52 176.43 3hco h SER 637 N 0.90 -0.43 -0.45 4.18 0.02 -1.25 0.10 113.55 116.61 3hco h SER 637 Ca 0.18 0.05 0.09 0.00 -0.84 0.00 0.00 61.79 61.27 3hco h SER 637 Cb 0.47 0.16 -0.09 0.00 0.14 0.00 0.00 62.40 63.07 3hco h SER 637 CO 0.02 -0.23 -0.17 0.11 -1.14 0.00 0.00 176.83 175.41 3hco h LYS 638 N -0.32 -0.07 -0.31 3.45 6.56 -1.18 0.30 116.57 125.00 3hco h LYS 638 Ca 0.02 0.00 0.05 0.00 -1.06 0.00 0.00 60.65 59.66 3hco h LYS 638 Cb 0.33 0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 31.96 3hco h LYS 638 CO -0.07 -0.05 0.04 1.96 -2.06 0.00 0.00 179.45 179.27 3hco h GLN 639 N -0.08 0.14 -0.45 3.15 4.20 -0.94 -1.81 115.11 119.33 3hco h GLN 639 Ca 0.22 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.88 3hco h GLN 639 Cb 0.41 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 3hco h GLN 639 CO -0.51 0.09 0.14 0.78 -0.67 0.00 0.00 178.83 178.66 3hco h GLY 640 N 0.14 0.75 0.75 3.46 0.00 0.19 0.29 103.07 108.65 3hco h GLY 640 Ca 0.15 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 47.06 3hco h GLY 640 CO -0.21 0.41 -0.05 0.83 0.00 0.00 0.00 176.54 177.52 3hco h GLU 641 N 0.58 -0.05 -0.38 4.80 5.08 -0.31 -1.82 114.58 122.49 3hco h GLU 641 Ca 0.14 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.44 3hco h GLU 641 Cb 0.27 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3hco h GLU 641 CO -0.00 -0.03 -0.04 0.78 -1.00 0.00 0.00 179.01 178.71 3hco h GLY 642 N -0.05 0.66 0.83 -3.84 0.00 -0.87 -2.15 103.07 97.65 3hco h GLY 642 Ca 0.05 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 3hco h GLY 642 CO -0.12 0.40 -0.06 1.98 0.00 0.00 0.00 176.54 178.74 3hco h MET 643 N 0.58 -0.15 -0.34 4.80 1.85 -0.86 -2.82 114.93 117.98 3hco h MET 643 Ca 0.12 0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.22 3hco h MET 643 Cb 0.43 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.47 3hco h MET 643 CO 0.02 0.05 0.22 0.28 -0.40 0.00 0.00 176.91 177.08 3hco h VAL 644 N -0.33 1.09 -0.93 -5.77 2.07 -1.18 0.11 116.25 111.31 3hco h VAL 644 Ca -0.02 -0.17 0.09 0.00 0.82 0.00 0.00 66.70 67.43 3hco h VAL 644 Cb 0.27 0.60 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 3hco h VAL 644 CO 0.03 0.09 0.57 0.11 0.02 0.00 0.00 177.57 178.39 3hco h LYS 645 N 0.46 0.94 -0.15 1.57 1.57 -1.41 -1.36 116.57 118.19 3hco h LYS 645 Ca 0.12 -0.06 -0.20 0.00 -1.87 0.00 0.00 60.65 58.65 3hco h LYS 645 Cb -0.05 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.05 3hco h LYS 645 CO -0.03 0.62 -0.71 -0.07 -0.57 0.00 0.00 179.45 178.69 3hco h LEU 646 N 0.97 0.75 -0.29 2.94 3.38 -1.15 -3.30 115.31 118.61 3hco h LEU 646 Ca 0.44 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 3hco h LEU 646 Cb 0.34 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3hco h LEU 646 CO -0.23 1.24 0.04 -0.07 0.09 0.00 0.00 178.44 179.51 3hco h LEU 647 N 0.45 0.46 -1.95 1.67 3.38 -0.17 0.17 115.31 119.33 3hco h LEU 647 Ca -0.03 -0.26 0.25 0.00 0.09 0.00 0.00 57.88 57.92 3hco h LEU 647 Cb 1.31 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 3hco h LEU 647 CO 0.14 0.61 0.67 0.44 0.09 0.00 0.00 178.44 180.39 3hco h ASP 648 N 0.30 0.00 0.05 -0.43 3.32 -1.37 0.52 116.42 118.82 3hco h ASP 648 Ca 0.09 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.76 3hco h ASP 648 Cb 0.34 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.84 3hco h ASP 648 CO 0.01 0.00 -2.32 -0.62 -1.72 0.00 0.00 179.24 174.58 3hco n GLU 649 N -4.07 0.68 -0.09 3.56 -0.58 -0.93 -4.06 120.64 115.15 3hco n GLU 649 Ca 0.18 0.16 -0.10 0.00 -0.42 0.00 0.00 57.16 56.98 3hco n GLU 649 Cb 0.97 -1.58 -0.02 0.00 -0.57 0.00 0.00 31.44 30.24 3hco n GLU 649 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3hco h LEU 650 N 0.02 0.38 -6.18 -4.62 3.38 0.50 -3.38 115.31 105.39 3hco h LEU 650 Ca -0.53 -0.13 -0.59 0.00 0.09 0.00 0.00 57.88 56.73 3hco h LEU 650 Cb 1.99 -0.10 -0.41 0.00 0.09 0.00 0.00 40.66 42.23 3hco h LEU 650 CO -0.02 0.40 -0.76 -0.24 0.09 0.00 0.00 178.44 177.90 3hco n SER 651 N -4.78 2.49 -0.21 -0.43 2.88 0.17 -4.94 113.62 108.80 3hco n SER 651 Ca -0.02 -3.17 0.10 0.00 -1.33 0.00 0.00 58.87 54.45 3hco n SER 651 Cb 0.10 -0.66 0.39 0.00 -0.75 0.00 0.00 64.21 63.29 3hco n SER 651 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3hco h PRO 652 N 4.22 0.65 -0.40 -1.46 0.11 -1.76 -1.37 132.00 132.00 3hco h PRO 652 Ca 0.16 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 66.35 3hco h PRO 652 Cb 0.74 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 3hco h PRO 652 CO 0.70 0.43 0.37 -0.97 -0.21 0.00 0.00 178.00 178.33 3hco h ASN 653 N 0.67 0.00 -0.01 -2.05 -0.73 -1.92 -2.00 115.58 109.55 3hco h ASN 653 Ca 0.37 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.54 3hco h ASN 653 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.11 3hco h ASN 653 CO -0.14 0.00 -0.01 0.35 -0.37 0.00 0.00 177.43 177.26 3hco n THR 654 N -3.93 0.00 -2.18 -3.57 -2.24 -0.56 -5.02 114.28 96.77 3hco n THR 654 Ca 0.07 -0.49 -0.35 0.00 -2.27 0.00 0.00 64.05 61.00 3hco n THR 654 Cb 0.55 1.15 0.01 0.00 -2.10 0.00 0.00 70.33 69.95 3hco n THR 654 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hco s ALA 655 N -0.67 2.67 0.25 6.98 0.00 -0.75 -3.77 121.76 126.46 3hco s ALA 655 Ca 0.09 0.89 -0.25 0.00 0.00 0.00 0.00 51.96 52.69 3hco s ALA 655 Cb 0.06 -3.39 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 3hco s ALA 655 CO 0.10 -0.89 0.85 -2.14 0.00 0.00 0.00 175.76 173.68 3hco s PRO 656 N -3.26 4.53 0.04 0.00 0.02 -1.26 -4.70 135.00 130.36 3hco s PRO 656 Ca 0.74 1.19 -0.09 0.00 0.02 0.00 0.00 61.00 62.86 3hco s PRO 656 Cb -0.26 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.21 3hco s PRO 656 CO 0.29 0.41 0.34 -1.01 -0.33 0.00 0.00 177.00 176.70 3hco s HIS 657 N -1.42 3.59 -0.04 6.54 3.76 -1.26 -0.94 115.29 125.51 3hco s HIS 657 Ca 0.44 0.70 0.01 0.00 -0.15 0.00 0.00 55.06 56.06 3hco s HIS 657 Cb -0.20 -2.09 0.02 0.00 1.11 0.00 0.00 32.58 31.42 3hco s HIS 657 CO 0.25 0.57 -0.06 0.21 -0.85 0.00 0.00 174.74 174.86 3hco s LYS 658 N -1.77 0.93 0.18 1.40 2.20 -0.34 -4.97 119.74 117.38 3hco s LYS 658 Ca 0.30 -0.15 -0.15 0.00 -0.36 0.00 0.00 55.97 55.61 3hco s LYS 658 Cb -0.14 -0.89 -0.07 0.00 -1.51 0.00 0.00 37.83 35.21 3hco s LYS 658 CO 0.17 -0.05 0.59 1.52 -0.36 0.00 0.00 175.35 177.22 3hco s TYR 659 N 0.81 3.57 -0.01 4.03 -0.85 -1.26 -0.64 117.35 123.00 3hco s TYR 659 Ca -0.12 1.10 0.04 0.00 -0.52 0.00 0.00 57.07 57.57 3hco s TYR 659 Cb -0.14 -2.41 -0.01 0.00 0.38 0.00 0.00 41.96 39.78 3hco s TYR 659 CO 0.01 0.37 -0.12 0.71 -1.52 0.00 0.00 175.55 174.99 3hco s TYR 660 N -1.56 1.07 -0.22 -3.49 1.51 0.52 -4.87 117.35 110.30 3hco s TYR 660 Ca 0.41 -0.21 -0.14 0.00 -1.01 0.00 0.00 57.07 56.12 3hco s TYR 660 Cb -0.14 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.98 3hco s TYR 660 CO 0.20 -0.02 0.33 0.42 -1.11 0.00 0.00 175.55 175.37 3hco s ILE 661 N -0.30 5.24 -0.41 2.71 1.01 -1.26 0.42 121.20 128.61 3hco s ILE 661 Ca 0.04 0.55 0.02 0.00 0.00 0.00 0.00 60.65 61.27 3hco s ILE 661 Cb -0.05 -3.66 0.12 0.00 0.01 0.00 0.00 42.46 38.88 3hco s ILE 661 CO -0.00 0.27 0.17 -0.83 0.00 0.00 0.00 174.94 174.55 3hco s GLY 662 N 1.08 1.81 0.03 6.18 0.00 -0.02 -4.67 107.32 111.73 3hco s GLY 662 Ca 0.16 -2.56 -0.16 0.00 0.00 0.00 0.00 44.72 42.15 3hco s GLY 662 CO 0.07 1.28 0.46 -1.36 0.00 0.00 0.00 173.10 173.55 3hco s PHE 663 N 0.58 3.74 0.15 1.90 2.99 -0.14 -2.50 117.98 124.70 3hco s PHE 663 Ca 0.14 1.08 -0.10 0.00 0.00 0.00 0.00 56.93 58.05 3hco s PHE 663 Cb -0.22 -2.35 -0.01 0.00 0.00 0.00 0.00 43.02 40.43 3hco s PHE 663 CO -0.07 0.61 1.51 -0.09 -0.00 0.00 0.00 175.22 177.19 3hco h ARG 664 N 4.56 0.96 0.00 0.44 9.65 -0.62 -1.58 114.38 127.80 3hco h ARG 664 Ca -0.51 -0.47 0.00 0.00 -1.10 0.00 0.00 59.98 57.91 3hco h ARG 664 Cb 1.22 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 3hco h ARG 664 CO 0.62 1.13 0.00 0.66 2.80 0.00 0.00 179.97 185.18 3hco n TYR 665 N -4.08 0.00 -4.01 2.20 0.53 -0.72 -4.77 117.16 106.31 3hco n TYR 665 Ca -0.01 0.00 -0.08 0.00 -1.02 0.00 0.00 57.90 56.79 3hco n TYR 665 Cb 0.51 0.00 -0.09 0.00 -1.03 0.00 0.00 39.34 38.73 3hco n TYR 665 CO 0.00 0.00 0.00 0.14 -1.02 0.00 0.00 176.86 175.98 3hco s VAL 666 N -0.13 0.19 0.37 -0.72 -7.23 -1.26 -4.28 120.40 107.34 3hco s VAL 666 Ca 0.00 -1.59 -0.27 0.00 -1.81 0.00 0.00 61.98 58.31 3hco s VAL 666 Cb 0.00 -1.49 -0.09 0.00 0.56 0.00 0.00 36.38 35.36 3hco s VAL 666 CO 0.00 -0.85 1.28 -1.00 -0.31 0.00 0.00 175.10 174.22 3hco s HIS 667 N -3.91 2.97 -0.00 2.82 3.76 -1.26 -3.06 115.29 116.62 3hco s HIS 667 Ca 0.07 1.44 -0.30 0.00 -0.15 0.00 0.00 55.06 56.12 3hco s HIS 667 Cb 0.07 -3.62 -0.04 0.00 1.11 0.00 0.00 32.58 30.10 3hco s HIS 667 CO -0.10 -1.83 1.18 -1.25 -0.85 0.00 0.00 174.74 171.89 3hco s PRO 668 N -2.04 4.41 0.55 8.40 0.05 -1.26 -4.98 135.00 140.12 3hco s PRO 668 Ca 0.53 1.69 -0.16 0.00 0.05 0.00 0.00 61.00 63.11 3hco s PRO 668 Cb -0.37 -3.46 -0.06 0.00 0.05 0.00 0.00 34.50 30.65 3hco s PRO 668 CO 0.49 -0.32 1.01 -0.51 0.05 0.00 0.00 177.00 177.71 3hco s LEU 669 N 1.60 3.54 0.27 -3.56 1.43 -1.17 -0.97 118.68 119.81 3hco s LEU 669 Ca 0.57 1.60 -0.02 0.00 -1.03 0.00 0.00 54.13 55.25 3hco s LEU 669 Cb -0.26 -4.51 0.58 0.00 0.03 0.00 0.00 46.19 42.03 3hco s LEU 669 CO 0.26 -0.75 1.67 0.74 0.23 0.00 0.00 176.35 178.49 3hco h THR 670 N 0.65 0.41 -0.16 5.49 2.02 -1.52 0.02 112.91 119.82 3hco h THR 670 Ca -0.46 -0.08 -0.15 0.00 0.77 0.00 0.00 66.41 66.48 3hco h THR 670 Cb 1.19 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3hco h THR 670 CO 0.61 0.04 -0.54 -0.33 0.37 0.00 0.00 175.52 175.67 3hco h GLU 671 N 0.24 0.48 -0.21 6.66 3.07 -1.91 0.45 114.58 123.36 3hco h GLU 671 Ca 0.48 -0.29 -0.11 0.00 -0.50 0.00 0.00 59.36 58.94 3hco h GLU 671 Cb 0.90 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.82 3hco h GLU 671 CO -0.59 0.89 -0.33 0.93 -1.40 0.00 0.00 179.01 178.52 3hco h GLU 672 N 0.37 0.43 -0.14 2.33 5.08 -1.57 -1.56 114.58 119.52 3hco h GLU 672 Ca 0.01 -0.19 -0.20 0.00 -1.00 0.00 0.00 59.36 57.99 3hco h GLU 672 Cb 1.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.30 3hco h GLU 672 CO 0.10 0.71 -0.72 0.00 -1.00 0.00 0.00 179.01 178.10 3hco h ALA 673 N 1.28 0.48 -0.31 3.43 0.00 -0.40 -2.23 119.26 121.51 3hco h ALA 673 Ca 0.05 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 3hco h ALA 673 Cb 0.76 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3hco h ALA 673 CO 0.06 0.72 0.05 0.82 0.00 0.00 0.00 179.25 180.90 3hco h ILE 674 N 0.43 1.23 -0.63 0.00 2.04 -0.70 -1.23 117.51 118.65 3hco h ILE 674 Ca -0.03 -0.81 0.09 0.00 1.00 0.00 0.00 64.86 65.11 3hco h ILE 674 Cb 1.31 1.16 -0.07 0.00 -0.74 0.00 0.00 36.82 38.48 3hco h ILE 674 CO 0.14 0.27 0.26 -0.08 0.00 0.00 0.00 178.15 178.73 3hco h GLU 675 N 0.34 0.44 -0.56 2.37 4.81 -1.27 -0.74 114.58 119.96 3hco h GLU 675 Ca 0.09 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 3hco h GLU 675 Cb 0.34 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3hco h GLU 675 CO 0.01 0.29 0.11 1.49 -0.73 0.00 0.00 179.01 180.17 3hco h GLU 676 N 0.46 0.92 -0.93 1.92 4.81 -1.29 -2.50 114.58 117.97 3hco h GLU 676 Ca 0.32 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3hco h GLU 676 Cb 0.37 -0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 3hco h GLU 676 CO -0.29 0.88 0.60 0.52 -0.73 0.00 0.00 179.01 179.98 3hco h MET 677 N 0.82 1.23 -0.12 1.92 2.86 -0.34 0.34 114.93 121.64 3hco h MET 677 Ca 0.17 -0.08 -0.03 0.00 -2.06 0.00 0.00 59.70 57.70 3hco h MET 677 Cb 0.39 -0.27 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 3hco h MET 677 CO 0.01 0.83 -0.02 0.93 1.06 0.00 0.00 176.91 179.72 3hco h GLU 678 N 1.26 0.23 0.00 1.72 4.39 -1.14 -2.81 114.58 118.24 3hco h GLU 678 Ca 0.34 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 3hco h GLU 678 Cb -0.12 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3hco h GLU 678 CO -0.07 0.51 -0.18 0.00 -1.16 0.00 0.00 179.01 178.12 3hco h ARG 679 N -0.07 0.00 0.00 2.33 3.08 -1.13 -1.42 114.38 117.17 3hco h ARG 679 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3hco h ARG 679 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 3hco h ARG 679 CO 0.01 0.18 0.00 -0.25 -1.07 0.00 0.00 179.97 178.84 3hco n ASP 680 N -4.27 0.15 -3.67 7.04 9.92 0.08 -4.90 116.55 120.90 3hco n ASP 680 Ca -0.02 0.54 -0.24 0.00 -0.53 0.00 0.00 54.79 54.53 3hco n ASP 680 Cb 0.24 -0.57 0.06 0.00 -0.64 0.00 0.00 41.12 40.21 3hco n ASP 680 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hco n GLY 681 N -0.00 -0.45 3.75 0.44 0.00 -0.54 -4.72 105.19 103.67 3hco n GLY 681 Ca 0.03 0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 3hco n GLY 681 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hco s LEU 682 N -7.00 3.57 0.08 0.99 1.43 -1.22 -4.97 118.68 111.56 3hco s LEU 682 Ca 0.38 2.40 -0.01 0.00 -1.03 0.00 0.00 54.13 55.87 3hco s LEU 682 Cb -0.18 -4.60 -0.26 0.00 0.03 0.00 0.00 46.19 41.18 3hco s LEU 682 CO 0.77 -1.78 1.14 -0.33 0.23 0.00 0.00 176.35 176.38 3hco h GLU 683 N 0.57 0.19 -3.75 1.70 5.08 -1.41 -3.42 114.58 113.54 3hco h GLU 683 Ca -0.50 -0.33 -0.22 0.00 -1.00 0.00 0.00 59.36 57.31 3hco h GLU 683 Cb 1.30 0.12 -0.27 0.00 0.50 0.00 0.00 28.75 30.40 3hco h GLU 683 CO 0.54 1.14 -0.71 0.50 -1.00 0.00 0.00 179.01 179.47 3hco s ARG 684 N -2.66 0.04 -0.03 2.33 3.52 -1.11 -3.09 118.95 117.94 3hco s ARG 684 Ca -0.03 -0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 55.49 3hco s ARG 684 Cb 0.08 0.01 0.03 0.00 -1.56 0.00 0.00 34.95 33.51 3hco s ARG 684 CO 0.86 -0.01 0.04 0.00 -0.81 0.00 0.00 175.30 175.39 3hco s ALA 685 N -0.17 0.21 -0.19 6.12 0.00 0.19 -0.98 121.76 126.93 3hco s ALA 685 Ca -0.02 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 3hco s ALA 685 Cb -0.01 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.64 3hco s ALA 685 CO -0.00 -0.33 -0.14 0.42 0.00 0.00 0.00 175.76 175.71 3hco s ILE 686 N 1.71 2.57 -0.62 0.00 1.01 -0.22 -1.65 121.20 124.00 3hco s ILE 686 Ca -0.01 -0.77 -0.26 0.00 0.00 0.00 0.00 60.65 59.62 3hco s ILE 686 Cb -0.12 -2.12 0.04 0.00 0.01 0.00 0.00 42.46 40.26 3hco s ILE 686 CO -0.03 0.49 1.11 0.00 0.00 0.00 0.00 174.94 176.51 3hco s ALA 687 N 1.35 3.00 -0.45 9.38 0.00 -0.32 -0.04 121.76 134.68 3hco s ALA 687 Ca 0.05 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 50.73 3hco s ALA 687 Cb -0.14 -3.98 0.12 0.00 0.00 0.00 0.00 23.12 19.13 3hco s ALA 687 CO -0.09 -2.76 0.26 0.12 0.00 0.00 0.00 175.76 173.29 3hco s PHE 688 N 4.72 3.54 0.36 0.00 5.99 0.68 -0.98 117.98 132.30 3hco s PHE 688 Ca 0.34 -2.41 -0.28 0.00 0.00 0.00 0.00 56.93 54.58 3hco s PHE 688 Cb -0.11 -3.26 -0.10 0.00 0.00 0.00 0.00 43.02 39.56 3hco s PHE 688 CO 0.19 -0.95 1.31 -0.08 -0.00 0.00 0.00 175.22 175.69 3hco s THR 689 N 0.96 2.65 -2.09 0.12 -1.32 -0.71 -1.69 115.64 113.55 3hco s THR 689 Ca 0.09 0.63 0.19 0.00 -1.21 0.00 0.00 61.69 61.39 3hco s THR 689 Cb -0.23 -3.39 0.51 0.00 -1.51 0.00 0.00 72.50 67.88 3hco s THR 689 CO -0.04 0.13 1.44 0.00 -2.21 0.00 0.00 174.62 173.94 3hco n GLN 690 N 0.54 2.35 -3.51 7.08 1.13 0.19 -4.77 117.38 120.39 3hco n GLN 690 Ca 0.01 -2.08 -0.40 0.00 -1.94 0.00 0.00 57.00 52.59 3hco n GLN 690 Cb 0.42 -1.46 -0.10 0.00 0.11 0.00 0.00 30.24 29.21 3hco n GLN 690 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3hco s TYR 691 N -1.29 3.22 0.46 1.08 1.51 -1.26 -4.74 117.35 116.33 3hco s TYR 691 Ca 0.39 -0.09 0.14 0.00 -1.01 0.00 0.00 57.07 56.50 3hco s TYR 691 Cb 0.21 -2.50 1.05 0.00 -0.11 0.00 0.00 41.96 40.61 3hco s TYR 691 CO 0.28 -0.34 2.04 -1.35 -1.11 0.00 0.00 175.55 175.07 3hco h PRO 692 N 8.45 0.06 -5.58 -1.71 0.11 -1.86 -3.42 132.00 128.05 3hco h PRO 692 Ca -0.32 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.13 3hco h PRO 692 Cb 1.16 -0.01 -0.21 0.00 0.11 0.00 0.00 31.00 32.04 3hco h PRO 692 CO 0.63 0.16 -0.69 -0.65 -0.21 0.00 0.00 178.00 177.24 3hco s GLN 693 N -4.84 3.32 -0.11 1.05 1.11 -1.26 -0.18 119.66 118.75 3hco s GLN 693 Ca -0.05 -0.55 -0.30 0.00 0.01 0.00 0.00 55.36 54.47 3hco s GLN 693 Cb 0.16 -2.76 -0.01 0.00 -1.01 0.00 0.00 33.01 29.39 3hco s GLN 693 CO 0.69 0.38 1.01 -0.47 0.01 0.00 0.00 175.29 176.92 3hco s TYR 694 N -0.03 3.50 0.13 0.91 5.04 -1.26 -4.85 117.35 120.78 3hco s TYR 694 Ca 0.00 1.58 0.11 0.00 -2.44 0.00 0.00 57.07 56.32 3hco s TYR 694 Cb -0.13 -3.20 -0.04 0.00 0.35 0.00 0.00 41.96 38.94 3hco s TYR 694 CO 0.03 -0.26 -0.27 0.45 -1.34 0.00 0.00 175.55 174.17 3hco s SER 695 N 1.11 3.35 0.51 4.32 0.15 -1.26 -1.65 113.70 120.22 3hco s SER 695 Ca 0.48 -0.75 0.22 0.00 0.70 0.00 0.00 55.95 56.60 3hco s SER 695 Cb -0.18 -0.23 1.34 0.00 -1.71 0.00 0.00 66.02 65.23 3hco s SER 695 CO 0.17 0.18 2.08 0.00 1.20 0.00 0.00 173.24 176.87 3hco h SER 697 N 0.00 0.00 0.00 0.00 4.64 -1.92 -0.88 113.55 115.38 3hco h SER 697 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hco h SER 697 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3hco h SER 697 CO 0.01 0.10 0.00 0.35 -0.87 0.00 0.00 176.83 176.42 3hco n THR 698 N -3.20 0.00 -0.35 2.95 -2.24 -0.99 -4.48 114.28 105.97 3hco n THR 698 Ca 0.01 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.87 3hco n THR 698 Cb 0.41 -0.14 0.25 0.00 -2.10 0.00 0.00 70.33 68.75 3hco n THR 698 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hco h THR 699 N 0.00 0.92 0.02 4.28 2.02 -1.75 -1.94 112.91 116.45 3hco h THR 699 Ca 0.00 -0.33 0.01 0.00 0.77 0.00 0.00 66.41 66.85 3hco h THR 699 Cb 0.00 -0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.26 3hco h THR 699 CO 0.00 0.18 -0.05 1.23 0.37 0.00 0.00 175.52 177.25 3hco h GLY 700 N 0.97 -0.07 0.74 2.16 0.00 -1.27 0.86 103.07 106.46 3hco h GLY 700 Ca 0.49 0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.91 3hco h GLY 700 CO -0.26 -0.06 0.11 0.23 0.00 0.00 0.00 176.54 176.57 3hco h SER 701 N -0.10 0.13 -0.92 0.19 0.87 -0.73 0.44 113.55 113.43 3hco h SER 701 Ca 0.02 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3hco h SER 701 Cb 0.12 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.04 3hco h SER 701 CO -0.04 0.11 0.60 0.28 -0.53 0.00 0.00 176.83 177.25 3hco h SER 702 N 0.25 1.02 -0.18 6.23 0.02 -0.94 0.01 113.55 119.97 3hco h SER 702 Ca 0.14 -0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.88 3hco h SER 702 Cb 0.11 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.41 3hco h SER 702 CO -0.14 0.72 -0.64 -0.07 -1.14 0.00 0.00 176.83 175.55 3hco h LEU 703 N 1.20 0.87 -1.78 5.07 3.38 -0.48 -3.00 115.31 120.57 3hco h LEU 703 Ca 0.36 -0.60 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3hco h LEU 703 Cb -0.06 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 3hco h LEU 703 CO -0.10 1.33 0.16 0.78 0.09 0.00 0.00 178.44 180.70 3hco h ASN 704 N 0.47 0.25 -0.03 -0.43 4.21 0.14 -1.37 115.58 118.82 3hco h ASN 704 Ca -0.03 -0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.40 3hco h ASN 704 Cb 1.27 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 38.39 3hco h ASN 704 CO 0.14 0.18 -0.17 0.00 -1.29 0.00 0.00 177.43 176.28 3hco h ALA 705 N 1.85 1.30 -0.10 -0.83 0.00 -0.85 0.32 119.26 120.95 3hco h ALA 705 Ca 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3hco h ALA 705 Cb 0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hco h ALA 705 CO -0.02 0.47 -0.01 0.82 0.00 0.00 0.00 179.25 180.51 3hco h ILE 706 N 0.34 1.27 -0.20 0.00 2.04 -1.19 0.10 117.51 119.89 3hco h ILE 706 Ca 0.06 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 3hco h ILE 706 Cb 0.51 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 3hco h ILE 706 CO 0.03 0.25 0.08 0.22 0.00 0.00 0.00 178.15 178.73 3hco h TYR 707 N -0.11 0.29 -0.12 1.37 3.20 -1.06 -2.75 116.97 117.80 3hco h TYR 707 Ca 0.03 -0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.89 3hco h TYR 707 Cb 0.39 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3hco h TYR 707 CO 0.04 0.33 0.08 0.00 -1.64 0.00 0.00 178.16 176.98 3hco h ARG 708 N 0.17 0.13 0.54 1.82 2.47 -0.25 -1.61 114.38 117.66 3hco h ARG 708 Ca 0.07 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.75 3hco h ARG 708 Cb 0.16 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.45 3hco h ARG 708 CO -0.01 0.09 -0.28 -0.92 0.56 0.00 0.00 179.97 179.41 3hco h TYR 709 N 0.14 -0.73 -0.28 3.04 3.20 -0.49 0.12 116.97 121.97 3hco h TYR 709 Ca 0.05 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 3hco h TYR 709 Cb 0.02 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 3hco h TYR 709 CO -0.00 -0.44 -0.16 1.88 -1.64 0.00 0.00 178.16 177.79 3hco h TYR 710 N -0.76 0.54 -0.11 -3.82 -1.99 -1.30 -1.75 116.97 107.78 3hco h TYR 710 Ca -0.07 -0.09 -0.16 0.00 2.00 0.00 0.00 58.73 60.41 3hco h TYR 710 Cb 0.59 -0.14 -0.01 0.00 2.00 0.00 0.00 36.73 39.17 3hco h TYR 710 CO -0.05 0.64 -0.61 -0.97 -0.00 0.00 0.00 178.16 177.17 3hco h ASN 711 N 0.45 0.42 -0.15 3.88 -0.73 -1.19 -1.99 115.58 116.28 3hco h ASN 711 Ca 0.08 -0.24 -0.07 0.00 1.87 0.00 0.00 56.30 57.93 3hco h ASN 711 Cb 0.55 -0.12 -0.00 0.00 0.27 0.00 0.00 38.32 39.01 3hco h ASN 711 CO 0.04 0.93 -0.18 -0.61 -0.37 0.00 0.00 177.43 177.23 3hco h GLN 712 N 0.28 0.40 0.00 6.67 4.15 -0.53 -2.92 115.11 123.16 3hco h GLN 712 Ca -0.01 -0.22 0.00 0.00 0.77 0.00 0.00 58.65 59.19 3hco h GLN 712 Cb 1.14 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3hco h GLN 712 CO 0.10 0.79 0.00 1.33 -1.93 0.00 0.00 178.83 179.12 3hco n VAL 713 N -4.50 0.00 -1.57 2.39 0.24 -0.68 -4.88 118.33 109.33 3hco n VAL 713 Ca -0.06 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.10 3hco n VAL 713 Cb 0.39 -0.45 -0.05 0.00 -1.47 0.00 0.00 33.84 32.26 3hco n VAL 713 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hco n GLY 714 N 0.47 1.04 3.31 7.63 0.00 -0.81 -4.95 105.19 111.87 3hco n GLY 714 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 3hco n GLY 714 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3hco s ARG 715 N -3.48 1.40 0.22 1.61 1.70 -0.84 -5.01 118.95 114.55 3hco s ARG 715 Ca 0.00 -1.76 -0.05 0.00 -0.47 0.00 0.00 55.73 53.45 3hco s ARG 715 Cb 0.00 -0.20 -0.05 0.00 -0.57 0.00 0.00 34.95 34.13 3hco s ARG 715 CO 0.00 -0.32 0.47 0.15 -1.08 0.00 0.00 175.30 174.53 3hco s LYS 716 N -4.03 3.63 0.47 3.89 1.02 -1.26 -4.50 119.74 118.96 3hco s LYS 716 Ca 0.38 -0.06 -0.24 0.00 0.02 0.00 0.00 55.97 56.07 3hco s LYS 716 Cb 0.08 -2.74 -0.08 0.00 -0.52 0.00 0.00 37.83 34.56 3hco s LYS 716 CO 0.14 0.33 1.27 -2.30 -0.92 0.00 0.00 175.35 173.87 3hco n PRO 717 N -0.50 1.79 -0.14 -1.68 -0.02 -1.26 -4.94 135.00 128.25 3hco n PRO 717 Ca -0.02 0.64 0.12 0.00 -2.02 0.00 0.00 63.50 62.22 3hco n PRO 717 Cb 0.53 -2.42 0.24 0.00 -0.02 0.00 0.00 33.50 31.83 3hco n PRO 717 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hco n THR 718 N -0.55 0.36 -4.31 3.45 -2.24 -1.26 -4.94 114.28 104.80 3hco n THR 718 Ca 0.08 -0.62 -0.22 0.00 -2.27 0.00 0.00 64.05 61.02 3hco n THR 718 Cb 0.42 0.93 -0.12 0.00 -2.10 0.00 0.00 70.33 69.46 3hco n THR 718 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3hco s MET 719 N -1.64 1.19 -0.42 -0.78 -1.94 -1.26 -4.92 119.30 109.53 3hco s MET 719 Ca 0.36 -1.30 -0.29 0.00 -1.71 0.00 0.00 55.69 52.76 3hco s MET 719 Cb 0.21 -1.32 0.02 0.00 2.01 0.00 0.00 34.83 35.75 3hco s MET 719 CO 0.31 0.28 1.28 0.21 -0.01 0.00 0.00 175.02 177.09 3hco s LYS 720 N -2.43 3.69 0.10 2.03 2.47 -1.18 -4.92 119.74 119.51 3hco s LYS 720 Ca 0.11 0.84 -0.04 0.00 -1.56 0.00 0.00 55.97 55.32 3hco s LYS 720 Cb -0.07 -3.95 -0.05 0.00 -1.46 0.00 0.00 37.83 32.29 3hco s LYS 720 CO 0.05 -1.42 0.32 -1.58 0.16 0.00 0.00 175.35 172.89 3hco s TRP 721 N 4.86 3.50 0.28 4.03 0.52 -1.26 -0.64 118.94 130.24 3hco s TRP 721 Ca 0.55 0.50 -0.05 0.00 0.02 0.00 0.00 56.10 57.13 3hco s TRP 721 Cb -0.11 -1.96 -0.01 0.00 -1.15 0.00 0.00 33.47 30.24 3hco s TRP 721 CO 0.30 0.50 0.38 -1.54 0.02 0.00 0.00 176.95 176.62 3hco s SER 722 N -2.31 0.49 0.01 2.95 1.04 -0.66 -4.79 113.70 110.43 3hco s SER 722 Ca 0.37 -1.31 0.01 0.00 0.48 0.00 0.00 55.95 55.50 3hco s SER 722 Cb -0.13 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 3hco s SER 722 CO 0.24 -1.13 -0.04 0.28 0.98 0.00 0.00 173.24 173.57 3hco s THR 723 N -3.63 0.27 -0.61 2.02 -1.32 0.38 -1.17 115.64 111.57 3hco s THR 723 Ca 0.31 -0.39 -0.13 0.00 -1.21 0.00 0.00 61.69 60.27 3hco s THR 723 Cb 0.01 -0.28 0.15 0.00 -1.51 0.00 0.00 72.50 70.88 3hco s THR 723 CO 0.15 -0.09 0.53 -0.63 -2.21 0.00 0.00 174.62 172.38 3hco s ILE 724 N -0.48 4.95 -1.64 5.08 1.01 -0.15 -3.97 121.20 125.99 3hco s ILE 724 Ca -0.03 -1.95 0.24 0.00 0.00 0.00 0.00 60.65 58.91 3hco s ILE 724 Cb -0.04 -4.16 0.06 0.00 0.01 0.00 0.00 42.46 38.33 3hco s ILE 724 CO -0.00 -0.89 1.28 -0.90 0.00 0.00 0.00 174.94 174.43 3hco n ASP 725 N 4.68 1.30 -3.53 3.58 5.75 -1.26 -1.74 116.55 125.32 3hco n ASP 725 Ca -0.03 -1.03 -0.08 0.00 -0.01 0.00 0.00 54.79 53.63 3hco n ASP 725 Cb 0.42 0.40 -0.03 0.00 -1.03 0.00 0.00 41.12 40.88 3hco n ASP 725 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hco s ARG 726 N -2.64 0.68 -0.43 0.11 1.70 -1.26 -4.62 118.95 112.50 3hco s ARG 726 Ca 0.18 -0.17 0.06 0.00 -0.47 0.00 0.00 55.73 55.33 3hco s ARG 726 Cb 0.18 0.32 0.32 0.00 -0.57 0.00 0.00 34.95 35.20 3hco s ARG 726 CO 0.61 -0.28 1.18 -2.67 -1.08 0.00 0.00 175.30 173.07 3hco n TRP 727 N 0.01 -2.46 0.38 5.89 4.27 0.74 -5.03 117.44 121.23 3hco n TRP 727 Ca -0.08 -1.90 0.14 0.00 -3.89 0.00 0.00 57.50 51.77 3hco n TRP 727 Cb 0.60 1.57 0.53 0.00 -1.36 0.00 0.00 31.31 32.65 3hco n TRP 727 CO 0.00 0.00 0.00 -1.00 -2.29 0.00 0.00 177.69 174.40 3hco h PRO 728 N 2.74 0.00 0.00 -2.67 0.13 -1.74 -3.11 132.00 127.36 3hco h PRO 728 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3hco h PRO 728 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3hco h PRO 728 CO 0.08 0.00 -0.10 0.25 -0.23 0.00 0.00 178.00 178.00 3hco n THR 729 N -2.52 1.14 -1.60 1.56 -2.24 -1.26 -3.95 114.28 105.41 3hco n THR 729 Ca 0.02 -1.33 -0.51 0.00 -2.27 0.00 0.00 64.05 59.96 3hco n THR 729 Cb 0.28 0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.63 3hco n THR 729 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 3hco n HIS 730 N -0.81 1.60 -0.07 4.78 -0.00 -1.18 -4.79 115.22 114.75 3hco n HIS 730 Ca 0.08 0.59 0.07 0.00 0.46 0.00 0.00 57.72 58.92 3hco n HIS 730 Cb 0.56 -2.36 0.42 0.00 -0.12 0.00 0.00 29.99 28.50 3hco n HIS 730 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 3hco h HIS 731 N 4.68 0.56 0.08 1.57 2.07 -1.97 -1.08 115.15 121.07 3hco h HIS 731 Ca -0.47 0.01 -0.26 0.00 -2.85 0.00 0.00 60.37 56.81 3hco h HIS 731 Cb 1.33 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 31.11 3hco h HIS 731 CO 0.60 0.32 -1.19 -0.07 -3.07 0.00 0.00 177.93 174.52 3hco h LEU 732 N 0.57 0.28 -0.16 6.12 3.38 -1.94 -0.91 115.31 122.66 3hco h LEU 732 Ca 0.23 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hco h LEU 732 Cb 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hco h LEU 732 CO -0.06 1.24 0.10 0.25 0.09 0.00 0.00 178.44 180.06 3hco h LEU 733 N 0.05 0.16 -0.18 1.67 5.85 -1.62 -0.41 115.31 120.83 3hco h LEU 733 Ca -0.10 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3hco h LEU 733 Cb 1.91 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.90 3hco h LEU 733 CO 0.18 0.12 0.12 0.40 -0.34 0.00 0.00 178.44 178.91 3hco h ILE 734 N 0.20 1.05 -0.68 4.05 1.08 -1.18 -1.77 117.51 120.26 3hco h ILE 734 Ca 0.06 -0.09 0.10 0.00 -0.39 0.00 0.00 64.86 64.54 3hco h ILE 734 Cb -0.01 0.79 -0.07 0.00 -3.07 0.00 0.00 36.82 34.45 3hco h ILE 734 CO -0.03 0.05 0.31 -0.61 -0.69 0.00 0.00 178.15 177.18 3hco h GLN 735 N 0.24 0.50 -0.19 2.37 4.15 -1.01 -0.69 115.11 120.49 3hco h GLN 735 Ca 0.07 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.48 3hco h GLN 735 Cb -0.02 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.53 3hco h GLN 735 CO -0.01 0.33 0.02 0.00 -1.93 0.00 0.00 178.83 177.24 3hco h PHE 737 N 0.10 0.78 -0.65 0.00 0.05 -0.79 -1.02 116.94 115.41 3hco h PHE 737 Ca 0.09 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.82 3hco h PHE 737 Cb 0.09 -0.26 -0.03 0.00 2.00 0.00 0.00 35.95 37.75 3hco h PHE 737 CO -0.15 0.53 0.17 0.00 -0.18 0.00 0.00 178.31 178.68 3hco h ALA 738 N 1.19 1.09 -0.29 2.45 0.00 -0.99 -1.37 119.26 121.33 3hco h ALA 738 Ca 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3hco h ALA 738 Cb -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3hco h ALA 738 CO -0.04 0.61 0.11 -0.44 0.00 0.00 0.00 179.25 179.49 3hco h ASP 739 N 0.96 0.41 0.24 0.00 3.45 -0.89 -1.37 116.42 119.22 3hco h ASP 739 Ca 0.21 -0.17 -0.08 0.00 0.43 0.00 0.00 57.03 57.41 3hco h ASP 739 Cb 0.31 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 3hco h ASP 739 CO -0.00 0.47 -0.33 0.45 -1.57 0.00 0.00 179.24 178.26 3hco h HIS 740 N 0.32 0.17 -0.19 4.55 3.86 -0.94 -1.91 115.15 121.02 3hco h HIS 740 Ca 0.10 -0.04 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 3hco h HIS 740 Cb 0.20 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.62 3hco h HIS 740 CO -0.00 0.47 -0.07 0.82 0.86 0.00 0.00 177.93 180.00 3hco h ILE 741 N 0.13 1.30 -0.70 2.45 2.04 -0.99 -2.01 117.51 119.73 3hco h ILE 741 Ca 0.02 -1.10 0.01 0.00 1.00 0.00 0.00 64.86 64.78 3hco h ILE 741 Cb 0.66 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.34 3hco h ILE 741 CO 0.05 0.33 0.46 -0.07 0.00 0.00 0.00 178.15 178.92 3hco h LEU 742 N 0.08 0.80 -0.86 1.44 3.38 -0.96 0.15 115.31 119.34 3hco h LEU 742 Ca 0.04 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3hco h LEU 742 Cb 0.54 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3hco h LEU 742 CO 0.02 0.58 0.56 0.50 0.09 0.00 0.00 178.44 180.20 3hco h LYS 743 N 0.95 1.14 -0.00 1.13 3.64 -1.33 -2.25 116.57 119.85 3hco h LYS 743 Ca 0.26 -0.07 -0.22 0.00 -1.27 0.00 0.00 60.65 59.34 3hco h LYS 743 Cb -0.11 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.46 3hco h LYS 743 CO -0.05 0.76 -0.94 1.49 -2.27 0.00 0.00 179.45 178.44 3hco h GLU 744 N 1.17 0.41 -1.00 1.90 4.57 -0.92 -3.12 114.58 117.59 3hco h GLU 744 Ca 0.31 -0.44 0.11 0.00 -1.18 0.00 0.00 59.36 58.16 3hco h GLU 744 Cb -0.12 0.12 -0.08 0.00 -0.16 0.00 0.00 28.75 28.51 3hco h GLU 744 CO -0.07 1.10 0.63 -0.07 -1.18 0.00 0.00 179.01 179.43 3hco h LEU 745 N 0.23 0.94 -2.01 1.64 3.38 -0.50 -1.30 115.31 117.69 3hco h LEU 745 Ca -0.08 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.07 3hco h LEU 745 Cb 1.57 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 42.15 3hco h LEU 745 CO 0.16 0.52 0.43 0.44 0.09 0.00 0.00 178.44 180.08 3hco h ASP 746 N 1.02 0.00 0.43 -0.43 3.45 -1.34 -0.83 116.42 118.71 3hco h ASP 746 Ca 0.48 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.94 3hco h ASP 746 Cb 0.44 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.21 3hco h ASP 746 CO -0.24 0.00 0.00 1.41 -1.57 0.00 0.00 179.24 178.84 3hco n HIS 747 N -3.98 0.00 -3.50 4.55 8.25 -0.49 -4.80 115.22 115.24 3hco n HIS 747 Ca 0.09 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.23 3hco n HIS 747 Cb 0.63 -0.22 -0.05 0.00 1.12 0.00 0.00 29.99 31.47 3hco n HIS 747 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hco s PHE 748 N -2.44 3.44 0.36 4.41 0.40 -0.32 -5.03 117.98 118.79 3hco s PHE 748 Ca 0.32 0.75 -0.28 0.00 -0.60 0.00 0.00 56.93 57.13 3hco s PHE 748 Cb 0.20 -2.17 -0.12 0.00 0.51 0.00 0.00 43.02 41.45 3hco s PHE 748 CO 0.43 0.32 1.30 -2.30 0.70 0.00 0.00 175.22 175.67 3hco n PRO 749 N -0.09 2.14 -0.30 0.24 -0.02 -1.26 -4.70 135.00 131.01 3hco n PRO 749 Ca -0.01 0.75 0.17 0.00 -2.02 0.00 0.00 63.50 62.39 3hco n PRO 749 Cb 0.52 -2.36 0.43 0.00 -0.02 0.00 0.00 33.50 32.07 3hco n PRO 749 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3hco h LEU 750 N 2.51 0.57 -0.62 2.45 5.85 -1.93 0.23 115.31 124.37 3hco h LEU 750 Ca -0.47 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3hco h LEU 750 Cb 1.28 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3hco h LEU 750 CO 0.62 0.21 0.00 -0.33 -0.34 0.00 0.00 178.44 178.61 3hco h GLU 751 N 0.56 0.00 0.00 1.25 3.07 -2.02 -3.05 114.58 114.38 3hco h GLU 751 Ca 0.52 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.38 3hco h GLU 751 Cb 1.07 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 3hco h GLU 751 CO -0.26 0.00 -0.63 1.63 -1.40 0.00 0.00 179.01 178.35 3hco n LYS 752 N -2.41 3.14 -0.19 2.33 4.76 0.01 -4.75 118.16 121.05 3hco n LYS 752 Ca 0.03 -0.01 -0.01 0.00 -2.87 0.00 0.00 58.31 55.45 3hco n LYS 752 Cb 0.30 -1.02 0.07 0.00 -1.84 0.00 0.00 35.03 32.54 3hco n LYS 752 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 3hco h ARG 753 N 0.00 0.04 0.00 1.97 2.43 -1.28 -1.20 114.38 116.35 3hco h ARG 753 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hco h ARG 753 Cb 0.28 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3hco h ARG 753 CO 0.00 0.03 0.00 0.66 -1.51 0.00 0.00 179.97 179.15 3hco h SER 754 N 0.05 0.00 0.95 -3.80 4.64 -1.85 -2.40 113.55 111.13 3hco h SER 754 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3hco h SER 754 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3hco h SER 754 CO -0.56 0.00 -0.45 1.21 -0.87 0.00 0.00 176.83 176.16 3hco n GLU 755 N -3.02 0.23 -1.98 4.77 4.07 -0.46 -4.80 120.64 119.44 3hco n GLU 755 Ca -0.01 0.10 -0.42 0.00 -0.06 0.00 0.00 57.16 56.77 3hco n GLU 755 Cb 0.20 -1.67 -0.02 0.00 -0.06 0.00 0.00 31.44 29.89 3hco n GLU 755 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 3hco s VAL 756 N -3.12 2.63 -0.14 6.31 1.01 -0.90 -4.77 120.40 121.41 3hco s VAL 756 Ca 0.08 0.51 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 3hco s VAL 756 Cb 0.14 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3hco s VAL 756 CO 0.68 0.07 0.72 -0.69 0.00 0.00 0.00 175.10 175.89 3hco s VAL 757 N 0.25 4.98 -0.38 2.92 1.01 -0.56 -4.30 120.40 124.32 3hco s VAL 757 Ca 0.62 1.43 -0.22 0.00 0.00 0.00 0.00 61.98 63.81 3hco s VAL 757 Cb -0.42 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 31.92 3hco s VAL 757 CO 0.41 0.14 0.73 -0.63 0.00 0.00 0.00 175.10 175.75 3hco s ILE 758 N 1.56 4.77 -0.46 2.22 1.01 -0.20 -0.51 121.20 129.59 3hco s ILE 758 Ca 0.35 0.69 -0.12 0.00 0.00 0.00 0.00 60.65 61.58 3hco s ILE 758 Cb -0.17 -4.18 0.09 0.00 0.01 0.00 0.00 42.46 38.21 3hco s ILE 758 CO 0.14 -0.44 0.35 -0.76 0.00 0.00 0.00 174.94 174.23 3hco s LEU 759 N 2.99 5.55 0.01 2.97 1.43 0.34 -1.88 118.68 130.10 3hco s LEU 759 Ca 0.29 -1.57 -0.30 0.00 -1.03 0.00 0.00 54.13 51.51 3hco s LEU 759 Cb -0.13 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 3hco s LEU 759 CO 0.17 -0.65 1.21 -0.36 0.23 0.00 0.00 176.35 176.95 3hco s PHE 760 N 1.50 3.31 -0.27 0.29 0.40 -0.44 -0.62 117.98 122.16 3hco s PHE 760 Ca 0.04 1.25 0.00 0.00 -0.60 0.00 0.00 56.93 57.62 3hco s PHE 760 Cb -0.25 -3.43 0.08 0.00 0.51 0.00 0.00 43.02 39.93 3hco s PHE 760 CO 0.03 -1.34 0.01 0.45 0.70 0.00 0.00 175.22 175.08 3hco s SER 761 N 1.28 3.93 0.19 1.36 0.15 -0.18 -0.54 113.70 119.88 3hco s SER 761 Ca 0.58 -1.40 0.05 0.00 0.70 0.00 0.00 55.95 55.88 3hco s SER 761 Cb -0.28 -1.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.90 3hco s SER 761 CO 0.26 -0.31 0.17 0.00 1.20 0.00 0.00 173.24 174.56 3hco s ALA 762 N 1.43 3.61 0.19 5.45 0.00 -0.90 -3.65 121.76 127.89 3hco s ALA 762 Ca 0.01 -1.25 -0.31 0.00 0.00 0.00 0.00 51.96 50.41 3hco s ALA 762 Cb -0.18 -1.39 -0.10 0.00 0.00 0.00 0.00 23.12 21.44 3hco s ALA 762 CO -0.11 0.44 1.56 -1.01 0.00 0.00 0.00 175.76 176.63 3hco s HIS 763 N -1.85 3.03 1.07 0.00 3.76 -1.26 -0.21 115.29 119.83 3hco s HIS 763 Ca 0.32 0.67 -0.12 0.00 -0.15 0.00 0.00 55.06 55.78 3hco s HIS 763 Cb -0.10 -3.93 0.20 0.00 1.11 0.00 0.00 32.58 29.87 3hco s HIS 763 CO 0.24 -3.37 0.91 0.45 -0.85 0.00 0.00 174.74 172.12 3hco n SER 764 N 3.66 -1.13 -4.33 1.40 2.88 -0.58 -4.74 113.62 110.77 3hco n SER 764 Ca 0.13 0.08 -0.27 0.00 -1.33 0.00 0.00 58.87 57.48 3hco n SER 764 Cb 0.38 -1.30 -0.13 0.00 -0.75 0.00 0.00 64.21 62.41 3hco n SER 764 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3hco s LEU 765 N -5.92 2.28 0.40 2.46 1.43 -1.26 -4.95 118.68 113.11 3hco s LEU 765 Ca 0.66 -0.68 -0.26 0.00 -1.03 0.00 0.00 54.13 52.81 3hco s LEU 765 Cb -0.23 -1.07 -0.10 0.00 0.03 0.00 0.00 46.19 44.82 3hco s LEU 765 CO 0.63 0.14 1.33 -2.65 0.23 0.00 0.00 176.35 176.03 3hco n PRO 766 N 1.18 2.14 0.19 1.29 -0.02 -1.26 -0.56 135.00 137.96 3hco n PRO 766 Ca -0.18 0.76 0.14 0.00 -2.02 0.00 0.00 63.50 62.19 3hco n PRO 766 Cb 0.53 -2.45 0.73 0.00 -0.02 0.00 0.00 33.50 32.29 3hco n PRO 766 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3hco h MET 767 N 2.36 0.00 -0.19 -0.52 2.86 -1.17 -0.18 114.93 118.08 3hco h MET 767 Ca -0.48 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.16 3hco h MET 767 Cb 1.28 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.93 3hco h MET 767 CO 0.61 0.00 0.12 0.66 1.06 0.00 0.00 176.91 179.36 3hco h SER 768 N 0.00 0.22 0.15 1.22 4.64 -1.91 0.18 113.55 118.06 3hco h SER 768 Ca 0.08 -0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 61.10 3hco h SER 768 Cb 0.37 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3hco h SER 768 CO -0.00 0.17 -1.50 0.58 -0.87 0.00 0.00 176.83 175.21 3hco h VAL 769 N 0.26 1.05 -0.34 0.95 2.07 -1.43 -3.02 116.25 115.79 3hco h VAL 769 Ca 0.07 -2.47 0.05 0.00 0.82 0.00 0.00 66.70 65.17 3hco h VAL 769 Cb -0.01 2.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.50 3hco h VAL 769 CO -0.01 0.77 0.07 0.58 0.02 0.00 0.00 177.57 178.99 3hco h VAL 770 N -0.13 0.83 0.00 2.57 2.07 -1.13 -2.78 116.25 117.67 3hco h VAL 770 Ca -0.30 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3hco h VAL 770 Cb 1.90 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3hco h VAL 770 CO 0.12 0.03 0.00 0.59 0.02 0.00 0.00 177.57 178.34 3hco n ASN 771 N -5.09 0.28 -0.25 0.57 3.02 0.62 -1.59 115.26 112.82 3hco n ASN 771 Ca 0.01 0.57 0.13 0.00 -0.03 0.00 0.00 54.58 55.25 3hco n ASN 771 Cb 0.15 -0.63 0.31 0.00 -0.61 0.00 0.00 39.78 39.00 3hco n ASN 771 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3hco n ARG 772 N -1.80 0.80 0.00 3.52 1.85 -1.06 -4.93 116.66 115.03 3hco n ARG 772 Ca 0.03 -0.50 0.00 0.00 -1.00 0.00 0.00 57.85 56.38 3hco n ARG 772 Cb 0.20 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.12 3hco n ARG 772 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3hco n GLY 773 N 1.37 1.61 3.70 2.89 0.00 -0.62 -1.94 105.19 112.20 3hco n GLY 773 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 3hco n GLY 773 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hco n ASP 774 N 0.00 3.39 0.13 1.61 2.03 -1.14 -4.72 116.55 117.85 3hco n ASP 774 Ca 0.00 1.11 0.12 0.00 0.52 0.00 0.00 54.79 56.54 3hco n ASP 774 Cb 0.00 -1.50 0.48 0.00 -0.72 0.00 0.00 41.12 39.39 3hco n ASP 774 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3hco n PRO 775 N 2.95 0.21 0.14 -0.67 -0.02 -1.26 -4.40 135.00 131.94 3hco n PRO 775 Ca 0.14 0.40 -0.13 0.00 -2.02 0.00 0.00 63.50 61.88 3hco n PRO 775 Cb 0.32 -1.87 -0.06 0.00 -0.02 0.00 0.00 33.50 31.87 3hco n PRO 775 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3hco h TYR 776 N 0.00 -0.45 -1.01 6.00 3.20 -1.65 -2.61 116.97 120.46 3hco h TYR 776 Ca 0.00 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.98 3hco h TYR 776 Cb 0.42 0.17 -0.08 0.00 1.54 0.00 0.00 36.73 38.78 3hco h TYR 776 CO 0.00 -0.26 0.64 -1.35 -1.64 0.00 0.00 178.16 175.55 3hco h PRO 777 N -0.38 1.02 -0.31 1.82 0.11 -1.88 0.74 132.00 133.12 3hco h PRO 777 Ca -0.00 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.91 3hco h PRO 777 Cb 0.36 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 3hco h PRO 777 CO -0.04 0.67 -0.36 0.37 -0.21 0.00 0.00 178.00 178.44 3hco h GLN 778 N 1.05 0.70 -0.27 1.05 -0.00 -1.83 -1.69 115.11 114.12 3hco h GLN 778 Ca 0.48 -0.35 -0.15 0.00 -0.00 0.00 0.00 58.65 58.63 3hco h GLN 778 Cb 0.40 -0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.88 3hco h GLN 778 CO -0.24 0.96 -0.43 0.93 0.00 0.00 0.00 178.83 180.05 3hco h GLU 779 N 0.59 0.78 -0.72 1.69 5.08 -0.97 -2.15 114.58 118.87 3hco h GLU 779 Ca 0.06 -0.47 0.05 0.00 -1.00 0.00 0.00 59.36 57.99 3hco h GLU 779 Cb 0.89 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 3hco h GLU 779 CO 0.08 1.10 0.43 0.28 -1.00 0.00 0.00 179.01 179.90 3hco h VAL 780 N 0.53 1.04 -0.95 3.13 2.07 -0.84 -1.84 116.25 119.39 3hco h VAL 780 Ca 0.02 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3hco h VAL 780 Cb 1.03 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3hco h VAL 780 CO 0.10 0.15 0.59 0.28 0.02 0.00 0.00 177.57 178.71 3hco h SER 781 N 0.82 1.12 -0.36 0.57 0.02 -1.18 -1.62 113.55 112.91 3hco h SER 781 Ca 0.30 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3hco h SER 781 Cb 0.10 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 3hco h SER 781 CO -0.14 0.84 0.22 0.00 -1.14 0.00 0.00 176.83 176.60 3hco h ALA 782 N 1.33 0.46 -0.46 3.77 0.00 -0.84 -1.94 119.26 121.58 3hco h ALA 782 Ca 0.34 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.25 3hco h ALA 782 Cb -0.09 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 3hco h ALA 782 CO -0.07 -0.03 0.17 1.15 0.00 0.00 0.00 179.25 180.46 3hco h THR 783 N 0.47 0.86 -0.47 0.00 2.02 -0.90 -1.47 112.91 113.43 3hco h THR 783 Ca 0.13 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.24 3hco h THR 783 Cb 0.01 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 66.87 3hco h THR 783 CO -0.02 0.06 0.21 0.58 0.37 0.00 0.00 175.52 176.72 3hco h VAL 784 N 0.34 0.93 -0.51 3.16 2.07 -1.13 -1.49 116.25 119.62 3hco h VAL 784 Ca 0.21 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 3hco h VAL 784 Cb 0.21 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3hco h VAL 784 CO -0.21 0.08 0.22 -0.61 0.02 0.00 0.00 177.57 177.06 3hco h GLN 785 N 0.43 0.75 -0.55 1.57 5.75 -1.01 -1.35 115.11 120.70 3hco h GLN 785 Ca 0.21 -0.13 -0.07 0.00 -0.15 0.00 0.00 58.65 58.52 3hco h GLN 785 Cb 0.15 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.55 3hco h GLN 785 CO -0.17 0.65 0.08 0.87 -2.65 0.00 0.00 178.83 177.61 3hco h LYS 786 N 0.68 0.89 -0.30 1.69 1.79 -0.81 -0.61 116.57 119.90 3hco h LYS 786 Ca 0.17 -0.22 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 3hco h LYS 786 Cb 0.17 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.69 3hco h LYS 786 CO -0.02 0.83 0.09 0.28 -1.08 0.00 0.00 179.45 179.56 3hco h VAL 787 N 0.84 1.21 -0.32 0.50 2.07 -1.04 -1.34 116.25 118.16 3hco h VAL 787 Ca 0.17 -0.67 -0.11 0.00 0.82 0.00 0.00 66.70 66.91 3hco h VAL 787 Cb 0.39 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3hco h VAL 787 CO 0.01 0.22 -0.27 0.24 0.02 0.00 0.00 177.57 177.79 3hco h MET 788 N 0.32 0.65 -0.36 1.57 2.86 -0.93 -0.76 114.93 118.30 3hco h MET 788 Ca 0.10 -0.28 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3hco h MET 788 Cb 0.26 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3hco h MET 788 CO -0.00 0.86 0.18 1.49 1.06 0.00 0.00 176.91 180.50 3hco h GLU 789 N 0.56 0.36 -0.88 1.72 4.81 -1.06 -0.09 114.58 120.00 3hco h GLU 789 Ca 0.07 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3hco h GLU 789 Cb 0.76 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.02 3hco h GLU 789 CO 0.06 0.24 0.46 -0.09 -0.73 0.00 0.00 179.01 178.95 3hco h ARG 790 N 0.37 1.25 0.00 1.92 9.65 -0.83 -1.92 114.38 124.82 3hco h ARG 790 Ca 0.15 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 3hco h ARG 790 Cb 0.05 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.40 3hco h ARG 790 CO -0.10 0.93 0.00 1.28 2.80 0.00 0.00 179.97 184.88 3hco n LEU 791 N -4.32 0.00 -3.42 3.80 4.77 -0.33 -4.88 117.00 112.62 3hco n LEU 791 Ca 0.09 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.82 3hco n LEU 791 Cb 0.11 -0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.23 3hco n LEU 791 CO 0.39 -0.00 0.05 -0.62 -1.33 0.00 0.00 177.39 175.89 3hco n GLU 792 N -1.00 -5.13 -3.93 3.23 1.02 -0.60 -2.57 120.64 111.65 3hco n GLU 792 Ca 0.20 0.71 -0.30 0.00 -0.02 0.00 0.00 57.16 57.75 3hco n GLU 792 Cb 0.09 -5.57 0.02 0.00 -0.02 0.00 0.00 31.44 25.96 3hco n GLU 792 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hco n TYR 793 N -4.49 -2.13 0.16 -0.32 4.01 -0.15 -4.85 117.16 109.40 3hco n TYR 793 Ca -0.03 0.87 0.00 0.00 -0.16 0.00 0.00 57.90 58.59 3hco n TYR 793 Cb 0.57 -3.87 0.25 0.00 -0.31 0.00 0.00 39.34 35.97 3hco n TYR 793 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hco s ASN 795 N -6.88 2.21 0.50 0.00 -0.87 -1.26 -4.94 114.94 103.69 3hco s ASN 795 Ca -0.02 -1.12 -0.19 0.00 -1.57 0.00 0.00 52.86 49.96 3hco s ASN 795 Cb 0.13 -0.07 -0.08 0.00 -0.02 0.00 0.00 41.25 41.21 3hco s ASN 795 CO 0.75 -0.36 1.01 -2.16 -2.57 0.00 0.00 177.10 173.77 3hco s PRO 796 N -3.76 3.84 0.10 -0.60 0.04 -1.26 -4.91 135.00 128.45 3hco s PRO 796 Ca 0.25 1.20 -0.03 0.00 0.04 0.00 0.00 61.00 62.46 3hco s PRO 796 Cb 0.03 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 3hco s PRO 796 CO 0.07 -0.38 0.07 1.52 0.04 0.00 0.00 177.00 178.33 3hco s TYR 797 N -2.23 0.55 0.00 0.56 -0.85 -1.26 -1.03 117.35 113.10 3hco s TYR 797 Ca 0.64 -1.00 -0.04 0.00 -0.52 0.00 0.00 57.07 56.14 3hco s TYR 797 Cb -0.13 -0.32 -0.01 0.00 0.38 0.00 0.00 41.96 41.88 3hco s TYR 797 CO 0.23 -0.50 0.08 1.03 -1.52 0.00 0.00 175.55 174.88 3hco s ARG 798 N -3.96 0.39 -0.32 -3.49 1.81 -0.79 -4.96 118.95 107.64 3hco s ARG 798 Ca 0.14 -0.42 -0.16 0.00 -1.72 0.00 0.00 55.73 53.57 3hco s ARG 798 Cb 0.07 0.16 -0.02 0.00 -0.45 0.00 0.00 34.95 34.71 3hco s ARG 798 CO -0.05 -0.08 0.41 -1.17 -0.68 0.00 0.00 175.30 173.72 3hco s LEU 799 N -1.28 4.26 0.48 2.53 2.96 -1.26 -1.33 118.68 125.04 3hco s LEU 799 Ca -0.14 0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 3hco s LEU 799 Cb -0.08 -2.44 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 3hco s LEU 799 CO 0.01 -0.32 0.06 0.68 -1.32 0.00 0.00 176.35 175.46 3hco s VAL 800 N 2.14 0.86 -0.05 1.68 -7.23 0.30 -4.75 120.40 113.35 3hco s VAL 800 Ca 0.15 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.32 3hco s VAL 800 Cb -0.16 -2.17 0.03 0.00 0.56 0.00 0.00 36.38 34.63 3hco s VAL 800 CO 0.11 0.00 -0.01 0.26 -0.31 0.00 0.00 175.10 175.15 3hco s TRP 801 N -3.01 0.53 0.34 2.82 0.52 -0.43 -2.13 118.94 117.59 3hco s TRP 801 Ca 0.11 -0.10 0.07 0.00 0.02 0.00 0.00 56.10 56.21 3hco s TRP 801 Cb 0.01 -0.60 -0.03 0.00 -1.15 0.00 0.00 33.47 31.70 3hco s TRP 801 CO 0.07 -0.21 0.29 1.14 0.02 0.00 0.00 176.95 178.27 3hco s GLN 802 N 1.32 2.70 -1.73 4.98 -2.07 0.71 -1.09 119.66 124.47 3hco s GLN 802 Ca -0.05 -1.32 0.00 0.00 -1.82 0.00 0.00 55.36 52.17 3hco s GLN 802 Cb -0.13 -2.46 0.00 0.00 -1.09 0.00 0.00 33.01 29.33 3hco s GLN 802 CO -0.02 0.08 0.00 0.43 -1.32 0.00 0.00 175.29 174.45 3hco n SER 803 N -1.38 -5.04 -4.64 12.60 7.64 -1.26 -1.53 113.62 120.01 3hco n SER 803 Ca -0.01 0.33 -0.41 0.00 1.01 0.00 0.00 58.87 59.79 3hco n SER 803 Cb 0.60 -4.05 0.01 0.00 -1.01 0.00 0.00 64.21 59.76 3hco n SER 803 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 3hco n LYS 804 N -2.53 1.54 -5.09 1.43 2.85 -1.26 -4.91 118.16 110.19 3hco n LYS 804 Ca -0.18 0.55 -0.32 0.00 -1.05 0.00 0.00 58.31 57.32 3hco n LYS 804 Cb 0.58 -2.16 -0.15 0.00 -0.65 0.00 0.00 35.03 32.65 3hco n LYS 804 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3hco s VAL 805 N -1.24 2.54 0.00 0.58 -7.23 -1.26 -5.07 120.40 108.71 3hco s VAL 805 Ca 0.63 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 3hco s VAL 805 Cb -0.54 -1.95 0.00 0.00 0.56 0.00 0.00 36.38 34.45 3hco s VAL 805 CO 0.57 0.57 0.00 0.61 -0.31 0.00 0.00 175.10 176.54 3hco n GLY 806 N 2.34 -2.15 0.34 2.32 0.00 -1.26 -4.67 105.19 102.10 3hco n GLY 806 Ca -0.17 -1.50 0.11 0.00 0.00 0.00 0.00 46.02 44.46 3hco n GLY 806 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hco n PRO 807 N -0.20 0.86 -1.71 1.61 -0.04 -1.26 -4.99 135.00 129.26 3hco n PRO 807 Ca 0.00 -0.68 -0.30 0.00 -0.04 0.00 0.00 63.50 62.48 3hco n PRO 807 Cb 0.00 -1.49 0.07 0.00 -0.04 0.00 0.00 33.50 32.05 3hco n PRO 807 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3hco s MET 808 N -2.61 2.41 0.10 0.54 -1.94 -1.26 -5.00 119.30 111.54 3hco s MET 808 Ca 0.17 0.53 -0.31 0.00 -1.71 0.00 0.00 55.69 54.37 3hco s MET 808 Cb 0.18 -1.96 -0.07 0.00 2.01 0.00 0.00 34.83 34.98 3hco s MET 808 CO 0.63 -1.37 1.32 -2.14 -0.01 0.00 0.00 175.02 173.45 3hco s PRO 809 N -5.27 4.36 0.32 2.03 0.02 -1.26 -4.99 135.00 130.22 3hco s PRO 809 Ca 0.60 1.97 0.09 0.00 0.02 0.00 0.00 61.00 63.68 3hco s PRO 809 Cb -0.13 -3.28 -0.06 0.00 0.02 0.00 0.00 34.50 31.05 3hco s PRO 809 CO 0.53 -0.36 -0.10 -1.58 -0.33 0.00 0.00 177.00 175.15 3hco s TRP 810 N 1.04 2.29 0.17 6.54 0.52 -1.26 -0.67 118.94 127.56 3hco s TRP 810 Ca 0.62 -0.52 -0.31 0.00 0.02 0.00 0.00 56.10 55.91 3hco s TRP 810 Cb -0.34 -1.28 -0.10 0.00 -1.15 0.00 0.00 33.47 30.61 3hco s TRP 810 CO 0.30 0.53 1.50 -1.17 0.02 0.00 0.00 176.95 178.14 3hco s LEU 811 N -3.56 4.37 0.00 2.99 2.96 0.28 -4.70 118.68 121.02 3hco s LEU 811 Ca 0.31 2.55 0.00 0.00 -0.22 0.00 0.00 54.13 56.78 3hco s LEU 811 Cb 0.02 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.11 3hco s LEU 811 CO 0.15 -0.76 0.02 0.61 -1.32 0.00 0.00 176.35 175.05 3hco n GLY 812 N 3.44 3.83 3.76 7.98 0.00 -1.26 -4.69 105.19 118.24 3hco n GLY 812 Ca 0.12 -2.26 -0.38 0.00 0.00 0.00 0.00 46.02 43.50 3hco n GLY 812 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hco s PRO 813 N -2.70 3.26 0.33 1.61 0.04 -1.26 -4.86 135.00 131.42 3hco s PRO 813 Ca 0.01 2.05 -0.27 0.00 0.04 0.00 0.00 61.00 62.84 3hco s PRO 813 Cb -0.00 -2.24 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3hco s PRO 813 CO 0.01 -1.03 1.10 -0.65 0.04 0.00 0.00 177.00 176.46 3hco s GLN 814 N -2.92 4.41 0.19 4.56 -0.21 -1.26 -1.32 119.66 123.12 3hco s GLN 814 Ca 0.71 1.73 -0.12 0.00 0.02 0.00 0.00 55.36 57.70 3hco s GLN 814 Cb -0.36 -2.92 0.19 0.00 1.00 0.00 0.00 33.01 30.92 3hco s GLN 814 CO 0.42 0.03 1.78 1.15 -2.12 0.00 0.00 175.29 176.55 3hco h THR 815 N 2.72 0.91 0.35 -0.19 2.02 -1.44 -0.88 112.91 116.40 3hco h THR 815 Ca -0.47 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.51 3hco h THR 815 Cb 1.22 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 3hco h THR 815 CO 0.65 0.09 -0.17 0.44 0.37 0.00 0.00 175.52 176.90 3hco h ASP 816 N 0.51 -0.40 -0.29 4.18 3.32 -1.93 -0.90 116.42 120.91 3hco h ASP 816 Ca 0.26 -0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.26 3hco h ASP 816 Cb 0.20 0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3hco h ASP 816 CO -0.20 -0.20 0.19 1.05 -1.72 0.00 0.00 179.24 178.36 3hco h GLU 817 N -0.58 0.36 -0.08 3.56 4.11 -1.92 -2.14 114.58 117.89 3hco h GLU 817 Ca -0.05 -0.02 -0.19 0.00 0.07 0.00 0.00 59.36 59.17 3hco h GLU 817 Cb 0.43 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3hco h GLU 817 CO 0.08 0.24 -0.74 0.77 0.07 0.00 0.00 179.01 179.43 3hco h SER 818 N 0.37 0.50 -0.10 3.06 0.02 -0.86 0.16 113.55 116.70 3hco h SER 818 Ca 0.11 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 3hco h SER 818 Cb -0.02 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.37 3hco h SER 818 CO -0.02 1.07 0.02 0.40 -1.14 0.00 0.00 176.83 177.15 3hco h ILE 819 N 0.28 1.22 -0.47 3.27 2.04 -0.76 -0.28 117.51 122.81 3hco h ILE 819 Ca -0.03 -0.69 0.02 0.00 1.00 0.00 0.00 64.86 65.17 3hco h ILE 819 Cb 1.31 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 3hco h ILE 819 CO 0.13 0.20 0.27 0.50 0.00 0.00 0.00 178.15 179.24 3hco h LYS 820 N -0.06 0.53 -0.62 2.37 3.64 -1.34 -1.57 116.57 119.52 3hco h LYS 820 Ca 0.03 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 3hco h LYS 820 Cb 0.29 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3hco h LYS 820 CO 0.00 0.35 0.03 0.78 -2.27 0.00 0.00 179.45 178.34 3hco h GLY 821 N 0.54 1.16 1.00 5.01 0.00 -0.85 -0.45 103.07 109.48 3hco h GLY 821 Ca 0.19 -0.83 -0.06 0.00 0.00 0.00 0.00 47.33 46.63 3hco h GLY 821 CO -0.10 0.76 0.11 1.41 0.00 0.00 0.00 176.54 178.73 3hco h LEU 822 N 0.98 0.85 -0.53 3.11 3.38 -0.86 -2.32 115.31 119.92 3hco h LEU 822 Ca 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3hco h LEU 822 Cb 0.52 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3hco h LEU 822 CO 0.03 0.88 0.20 0.00 0.09 0.00 0.00 178.44 179.63 3hco h GLU 824 N 0.71 0.00 -0.28 0.00 5.08 -0.83 -2.46 114.58 116.80 3hco h GLU 824 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3hco h GLU 824 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3hco h GLU 824 CO -0.01 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.54 3hco n ARG 825 N -2.70 2.85 -0.14 2.33 1.74 -0.89 -4.96 116.66 114.88 3hco n ARG 825 Ca -0.02 -2.43 0.00 0.00 -0.77 0.00 0.00 57.85 54.63 3hco n ARG 825 Cb 0.08 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 3hco n ARG 825 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hco n GLY 826 N -0.10 0.67 3.46 -0.13 0.00 -0.93 -5.03 105.19 103.13 3hco n GLY 826 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 3hco n GLY 826 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hco s ARG 827 N -0.86 3.16 0.00 1.61 1.81 0.20 -4.88 118.95 120.00 3hco s ARG 827 Ca 0.00 -0.79 0.20 0.00 -1.72 0.00 0.00 55.73 53.42 3hco s ARG 827 Cb 0.00 -4.11 0.06 0.00 -0.45 0.00 0.00 34.95 30.45 3hco s ARG 827 CO 0.00 -1.34 1.05 1.63 -0.68 0.00 0.00 175.30 175.96 3hco n LYS 828 N 6.55 1.61 -3.84 3.54 5.02 -1.26 -3.54 118.16 126.24 3hco n LYS 828 Ca -0.05 -1.24 -0.27 0.00 -2.02 0.00 0.00 58.31 54.74 3hco n LYS 828 Cb 0.46 -1.39 -0.17 0.00 -0.02 0.00 0.00 35.03 33.91 3hco n LYS 828 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hco s ASN 829 N -2.01 2.56 -0.04 4.39 -0.87 -1.26 -0.70 114.94 117.01 3hco s ASN 829 Ca 0.19 -0.55 0.02 0.00 -1.57 0.00 0.00 52.86 50.94 3hco s ASN 829 Cb 0.16 -0.76 0.02 0.00 -0.02 0.00 0.00 41.25 40.65 3hco s ASN 829 CO 0.40 -0.20 -0.07 -0.63 -2.57 0.00 0.00 177.10 174.03 3hco s ILE 830 N 1.74 0.67 -0.27 0.60 1.01 0.01 -1.50 121.20 123.46 3hco s ILE 830 Ca 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.43 3hco s ILE 830 Cb -0.15 -0.65 0.04 0.00 0.01 0.00 0.00 42.46 41.72 3hco s ILE 830 CO -0.07 0.24 -0.04 -0.22 0.00 0.00 0.00 174.94 174.85 3hco s LEU 831 N 0.68 3.55 -0.00 2.97 2.96 0.34 -1.39 118.68 127.79 3hco s LEU 831 Ca -0.10 -1.12 -0.25 0.00 -0.22 0.00 0.00 54.13 52.44 3hco s LEU 831 Cb -0.13 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 3hco s LEU 831 CO 0.01 -0.20 0.75 -0.76 -1.32 0.00 0.00 176.35 174.83 3hco s LEU 832 N 1.27 4.39 -0.17 -0.68 1.43 0.54 -0.50 118.68 124.95 3hco s LEU 832 Ca -0.03 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.43 3hco s LEU 832 Cb -0.18 -3.19 0.02 0.00 0.03 0.00 0.00 46.19 42.87 3hco s LEU 832 CO -0.03 -0.05 -0.17 -0.69 0.23 0.00 0.00 176.35 175.64 3hco s VAL 833 N 0.35 1.88 -1.02 -1.59 1.01 0.21 -1.07 120.40 120.17 3hco s VAL 833 Ca 0.39 -0.86 -0.23 0.00 0.00 0.00 0.00 61.98 61.28 3hco s VAL 833 Cb -0.19 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.48 3hco s VAL 833 CO 0.21 0.48 1.56 -2.16 0.00 0.00 0.00 175.10 175.20 3hco s PRO 834 N 1.36 3.41 0.06 2.72 0.04 -1.26 -1.01 135.00 140.31 3hco s PRO 834 Ca 0.04 -1.02 0.26 0.00 0.04 0.00 0.00 61.00 60.32 3hco s PRO 834 Cb -0.13 -5.31 0.74 0.00 0.04 0.00 0.00 34.50 29.83 3hco s PRO 834 CO -0.12 -2.45 1.61 1.51 0.04 0.00 0.00 177.00 177.59 3hco n ILE 835 N 7.05 0.17 -0.75 0.56 0.13 -1.24 -4.24 119.36 121.04 3hco n ILE 835 Ca 0.35 -0.10 0.00 0.00 -1.10 0.00 0.00 62.75 61.90 3hco n ILE 835 Cb 0.50 -0.19 0.00 0.00 -0.84 0.00 0.00 39.64 39.11 3hco n ILE 835 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hco n ALA 836 N -1.62 1.09 -3.67 1.51 0.00 -1.26 -5.00 120.51 111.56 3hco n ALA 836 Ca 0.05 -0.50 -0.12 0.00 0.00 0.00 0.00 53.44 52.88 3hco n ALA 836 Cb 0.37 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.71 3hco n ALA 836 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hco s PHE 837 N -0.18 -0.54 -2.29 0.00 5.36 -1.26 -4.76 117.98 114.31 3hco s PHE 837 Ca 0.00 1.14 0.21 0.00 -0.96 0.00 0.00 56.93 57.32 3hco s PHE 837 Cb 0.00 0.11 0.74 0.00 -0.34 0.00 0.00 43.02 43.53 3hco s PHE 837 CO 0.00 -0.37 1.54 0.25 -1.46 0.00 0.00 175.22 175.18 3hco n THR 838 N 5.09 0.22 -4.42 0.12 -2.24 -1.26 -4.84 114.28 106.94 3hco n THR 838 Ca -0.11 -0.36 -0.23 0.00 -2.27 0.00 0.00 64.05 61.08 3hco n THR 838 Cb 0.51 0.39 -0.10 0.00 -2.10 0.00 0.00 70.33 69.03 3hco n THR 838 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3hco s SER 839 N -1.57 3.25 0.27 3.42 0.01 -1.26 -2.89 113.70 114.93 3hco s SER 839 Ca 0.32 -0.99 -0.29 0.00 1.31 0.00 0.00 55.95 56.30 3hco s SER 839 Cb 0.18 -0.24 -0.14 0.00 0.21 0.00 0.00 66.02 66.02 3hco s SER 839 CO 0.26 -0.01 1.15 0.47 0.41 0.00 0.00 173.24 175.53 3hco n ASP 840 N -0.38 1.78 -2.79 2.44 9.92 -1.26 -4.97 116.55 121.29 3hco n ASP 840 Ca -0.07 1.17 -0.13 0.00 -0.53 0.00 0.00 54.79 55.23 3hco n ASP 840 Cb 0.59 -1.33 -0.02 0.00 -0.64 0.00 0.00 41.12 39.72 3hco n ASP 840 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hco n HIS 841 N 0.78 -1.48 -2.10 1.24 1.44 -1.26 -4.65 115.22 109.19 3hco n HIS 841 Ca 0.10 -2.08 -0.41 0.00 -2.01 0.00 0.00 57.72 53.31 3hco n HIS 841 Cb 0.31 0.55 -0.03 0.00 0.12 0.00 0.00 29.99 30.94 3hco n HIS 841 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hco s ILE 842 N -2.70 2.90 0.69 0.61 1.01 -1.26 -5.00 121.20 117.45 3hco s ILE 842 Ca 0.25 0.74 -0.02 0.00 0.00 0.00 0.00 60.65 61.62 3hco s ILE 842 Cb -0.01 -3.47 0.10 0.00 0.01 0.00 0.00 42.46 39.08 3hco s ILE 842 CO 0.18 0.11 0.96 -1.61 0.00 0.00 0.00 174.94 174.59 3hco s GLU 843 N -0.19 1.87 0.50 2.79 2.02 -1.26 -5.04 118.70 119.38 3hco s GLU 843 Ca 0.59 -0.91 0.02 0.00 0.02 0.00 0.00 54.97 54.68 3hco s GLU 843 Cb -0.40 -2.32 0.02 0.00 0.10 0.00 0.00 34.13 31.53 3hco s GLU 843 CO 0.41 -1.31 0.71 0.95 0.02 0.00 0.00 175.26 176.03 3hco s THR 844 N -3.11 3.20 0.19 3.63 -4.23 -1.26 -4.89 115.64 109.17 3hco s THR 844 Ca 0.64 -0.66 -0.15 0.00 -1.18 0.00 0.00 61.69 60.34 3hco s THR 844 Cb -0.07 -3.18 0.17 0.00 1.34 0.00 0.00 72.50 70.76 3hco s THR 844 CO 0.43 -0.12 1.64 0.25 -0.54 0.00 0.00 174.62 176.29 3hco h LEU 845 N 0.27 -0.54 -0.90 4.79 5.85 -1.98 -0.79 115.31 122.02 3hco h LEU 845 Ca -0.43 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.45 3hco h LEU 845 Cb 1.28 0.35 0.00 0.00 0.37 0.00 0.00 40.66 42.65 3hco h LEU 845 CO 0.53 -0.19 0.00 1.88 -0.34 0.00 0.00 178.44 180.32 3hco h TYR 846 N -0.02 0.00 0.02 1.25 -1.99 -1.94 0.44 116.97 114.72 3hco h TYR 846 Ca 0.25 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.72 3hco h TYR 846 Cb 0.40 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.10 3hco h TYR 846 CO -0.46 0.00 -1.44 0.93 -0.00 0.00 0.00 178.16 177.19 3hco h GLU 847 N 0.00 0.04 0.00 4.88 5.08 -1.56 -3.43 114.58 119.59 3hco h GLU 847 Ca 0.00 -0.06 -0.33 0.00 -1.00 0.00 0.00 59.36 57.97 3hco h GLU 847 Cb 0.46 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.67 3hco h GLU 847 CO 0.00 0.77 -2.18 1.28 -1.00 0.00 0.00 179.01 177.87 3hco n LEU 848 N -3.22 2.53 -4.59 1.33 4.77 -0.68 -4.94 117.00 112.20 3hco n LEU 848 Ca -0.11 0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.46 3hco n LEU 848 Cb 1.01 -0.69 -0.05 0.00 -2.33 0.00 0.00 43.42 41.36 3hco n LEU 848 CO 0.46 0.72 0.57 -0.62 -1.33 0.00 0.00 177.39 177.20 3hco s ASP 849 N -6.30 6.58 0.24 -1.43 -1.08 0.12 -4.93 116.67 109.87 3hco s ASP 849 Ca -0.29 0.45 0.09 0.00 -0.52 0.00 0.00 52.55 52.28 3hco s ASP 849 Cb 0.09 -2.40 0.25 0.00 -1.46 0.00 0.00 42.92 39.40 3hco s ASP 849 CO 0.44 -0.69 1.55 -0.29 0.52 0.00 0.00 175.17 176.71 3hco h ILE 850 N 5.70 1.47 -0.45 4.11 6.09 -1.92 -2.32 117.51 130.20 3hco h ILE 850 Ca -0.25 -2.29 0.03 0.00 -1.37 0.00 0.00 64.86 60.99 3hco h ILE 850 Cb 1.10 2.23 -0.04 0.00 0.47 0.00 0.00 36.82 40.58 3hco h ILE 850 CO 0.90 0.66 0.24 -0.33 -3.07 0.00 0.00 178.15 176.55 3hco h GLU 851 N 0.03 0.47 -0.23 2.19 3.07 -1.97 -1.78 114.58 116.36 3hco h GLU 851 Ca -0.01 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.79 3hco h GLU 851 Cb 1.20 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 3hco h GLU 851 CO 0.09 0.31 0.00 1.88 -1.40 0.00 0.00 179.01 179.89 3hco h TYR 852 N 0.48 0.45 0.00 4.33 0.05 -1.88 -2.80 116.97 117.60 3hco h TYR 852 Ca 0.19 -0.08 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 3hco h TYR 852 Cb 0.07 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 3hco h TYR 852 CO -0.09 0.58 -0.32 0.66 -1.05 0.00 0.00 178.16 177.95 3hco h SER 853 N 0.18 0.00 0.36 3.88 4.64 -1.39 -2.22 113.55 119.00 3hco h SER 853 Ca 0.07 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 3hco h SER 853 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3hco h SER 853 CO 0.01 0.32 -0.17 1.56 -0.87 0.00 0.00 176.83 177.67 3hco h GLN 854 N 0.00 -0.47 -0.44 4.77 4.20 -1.29 -2.52 115.11 119.36 3hco h GLN 854 Ca -0.00 0.03 0.07 0.00 0.06 0.00 0.00 58.65 58.81 3hco h GLN 854 Cb 0.70 0.11 -0.06 0.00 0.30 0.00 0.00 27.48 28.53 3hco h GLN 854 CO 0.04 -0.23 0.10 0.28 -0.67 0.00 0.00 178.83 178.36 3hco h VAL 855 N -0.63 0.79 -0.04 -0.54 2.07 -1.35 -2.09 116.25 114.46 3hco h VAL 855 Ca -0.05 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.42 3hco h VAL 855 Cb 0.46 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.70 3hco h VAL 855 CO 0.08 0.04 -0.35 0.25 0.02 0.00 0.00 177.57 177.61 3hco h LEU 856 N 0.24 -1.08 -1.69 2.57 5.85 -1.39 -1.47 115.31 118.34 3hco h LEU 856 Ca 0.21 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 59.05 3hco h LEU 856 Cb 0.25 0.44 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3hco h LEU 856 CO -0.26 -0.40 -0.10 0.00 -0.34 0.00 0.00 178.44 177.34 3hco h ALA 857 N 0.21 1.75 -0.14 1.25 0.00 -1.24 0.64 119.26 121.73 3hco h ALA 857 Ca 0.07 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3hco h ALA 857 Cb 0.59 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hco h ALA 857 CO -0.31 0.19 -0.17 0.87 0.00 0.00 0.00 179.25 179.83 3hco h LYS 858 N 0.07 0.35 0.08 0.00 1.57 -0.88 -1.20 116.57 116.56 3hco h LYS 858 Ca 0.02 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.47 3hco h LYS 858 Cb 0.22 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.56 3hco h LYS 858 CO 0.01 0.77 -0.55 0.93 -0.57 0.00 0.00 179.45 180.04 3hco h GLU 859 N -0.04 0.23 -0.00 3.15 5.08 -1.06 -3.40 114.58 118.54 3hco h GLU 859 Ca 0.02 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 3hco h GLU 859 Cb 0.72 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3hco h GLU 859 CO 0.04 1.14 -0.10 0.00 -1.00 0.00 0.00 179.01 179.09 3hco n GLY 861 N 0.69 -0.29 3.67 0.00 0.00 -0.45 -4.89 105.19 103.91 3hco n GLY 861 Ca 0.02 0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.66 3hco n GLY 861 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3hco n VAL 862 N -4.16 0.84 -0.13 1.61 3.14 -1.26 -4.89 118.33 113.48 3hco n VAL 862 Ca -0.13 -0.21 -0.25 0.00 -2.96 0.00 0.00 64.34 60.79 3hco n VAL 862 Cb 0.60 -1.46 -0.10 0.00 -1.06 0.00 0.00 33.84 31.82 3hco n VAL 862 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3hco n GLU 863 N 2.16 0.58 -3.54 1.45 1.02 0.12 -4.78 120.64 117.66 3hco n GLU 863 Ca 0.12 0.22 -0.12 0.00 -0.02 0.00 0.00 57.16 57.36 3hco n GLU 863 Cb 0.31 -1.47 -0.11 0.00 -0.02 0.00 0.00 31.44 30.16 3hco n GLU 863 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3hco s ASN 864 N -7.12 0.34 -0.21 1.62 -0.87 -0.69 -5.04 114.94 102.97 3hco s ASN 864 Ca -0.36 0.44 -0.03 0.00 -1.57 0.00 0.00 52.86 51.34 3hco s ASN 864 Cb 0.13 0.93 -0.01 0.00 -0.02 0.00 0.00 41.25 42.28 3hco s ASN 864 CO 0.50 -0.27 -0.07 -0.63 -2.57 0.00 0.00 177.10 174.07 3hco s ILE 865 N 2.49 3.21 0.11 0.60 1.01 -1.26 -0.81 121.20 126.55 3hco s ILE 865 Ca 0.05 -0.55 0.05 0.00 0.00 0.00 0.00 60.65 60.20 3hco s ILE 865 Cb -0.14 -2.44 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3hco s ILE 865 CO -0.12 0.44 -0.13 -0.13 0.00 0.00 0.00 174.94 175.01 3hco s ARG 866 N 1.35 0.93 -0.09 2.79 0.52 -0.48 -5.01 118.95 118.96 3hco s ARG 866 Ca 0.04 -1.17 0.04 0.00 -0.52 0.00 0.00 55.73 54.13 3hco s ARG 866 Cb -0.14 -0.75 -0.00 0.00 0.52 0.00 0.00 34.95 34.57 3hco s ARG 866 CO -0.04 0.14 -0.24 0.50 0.02 0.00 0.00 175.30 175.68 3hco s ARG 867 N -2.58 2.96 0.66 3.54 3.52 -1.26 -0.34 118.95 125.45 3hco s ARG 867 Ca 0.06 -0.88 -0.17 0.00 -0.13 0.00 0.00 55.73 54.61 3hco s ARG 867 Cb -0.05 -2.28 0.00 0.00 -1.56 0.00 0.00 34.95 31.07 3hco s ARG 867 CO 0.02 0.22 1.21 0.00 -0.81 0.00 0.00 175.30 175.94 3hco s ALA 868 N 0.25 2.34 0.49 6.12 0.00 -0.23 -4.94 121.76 125.79 3hco s ALA 868 Ca -0.16 0.95 -0.22 0.00 0.00 0.00 0.00 51.96 52.53 3hco s ALA 868 Cb -0.17 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.42 3hco s ALA 868 CO 0.08 -1.52 1.21 -1.21 0.00 0.00 0.00 175.76 174.32 3hco s GLU 869 N -3.63 3.57 0.56 0.00 2.02 -1.26 -4.68 118.70 115.28 3hco s GLU 869 Ca 0.76 1.88 -0.19 0.00 0.02 0.00 0.00 54.97 57.44 3hco s GLU 869 Cb -0.30 -2.34 -0.05 0.00 0.10 0.00 0.00 34.13 31.54 3hco s GLU 869 CO 0.40 -0.74 1.17 -1.12 0.02 0.00 0.00 175.26 174.99 3hco s SER 870 N -1.28 5.49 0.56 -0.19 0.01 -1.26 -4.90 113.70 112.12 3hco s SER 870 Ca 0.66 2.29 0.28 0.00 1.31 0.00 0.00 55.95 60.49 3hco s SER 870 Cb -0.31 -2.59 1.48 0.00 0.21 0.00 0.00 66.02 64.80 3hco s SER 870 CO 0.37 -1.39 1.97 -0.07 0.41 0.00 0.00 173.24 174.54 3hco h LEU 871 N 1.10 0.00 0.00 2.44 3.38 -1.88 -3.42 115.31 116.93 3hco h LEU 871 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3hco h LEU 871 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3hco h LEU 871 CO 0.56 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.68 3hco n ASN 872 N -4.05 0.00 -0.68 -0.43 4.13 -1.14 -2.00 115.26 111.09 3hco n ASN 872 Ca 0.09 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.42 3hco n ASN 872 Cb 0.62 0.00 0.14 0.00 -1.54 0.00 0.00 39.78 39.00 3hco n ASN 872 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hco n GLY 873 N 0.00 1.75 3.68 7.41 0.00 -1.26 -4.79 105.19 111.98 3hco n GLY 873 Ca 0.00 -0.42 -0.47 0.00 0.00 0.00 0.00 46.02 45.12 3hco n GLY 873 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hco n ASN 874 N 0.72 3.51 0.29 1.61 4.05 -0.85 -4.86 115.26 119.73 3hco n ASN 874 Ca 0.12 0.98 0.19 0.00 0.45 0.00 0.00 54.58 56.31 3hco n ASN 874 Cb 0.42 -1.40 0.82 0.00 1.23 0.00 0.00 39.78 40.85 3hco n ASN 874 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 3hco h PRO 875 N 8.96 0.00 0.00 1.20 0.13 -1.94 0.88 132.00 141.23 3hco h PRO 875 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 3hco h PRO 875 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3hco h PRO 875 CO 0.94 0.00 -0.15 1.25 -0.23 0.00 0.00 178.00 179.81 3hco h LEU 876 N 0.00 0.00 -0.24 1.56 5.85 -1.98 -0.35 115.31 120.16 3hco h LEU 876 Ca 0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 3hco h LEU 876 Cb 0.37 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3hco h LEU 876 CO 0.00 0.15 -0.17 0.15 -0.34 0.00 0.00 178.44 178.24 3hco h PHE 877 N 0.00 0.62 -0.64 1.25 -0.00 -1.16 -0.54 116.94 116.47 3hco h PHE 877 Ca -0.00 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.97 57.79 3hco h PHE 877 Cb 0.88 -0.14 -0.03 0.00 -0.00 0.00 0.00 35.95 36.66 3hco h PHE 877 CO 0.00 0.83 0.36 0.77 -0.00 0.00 0.00 178.31 180.27 3hco h SER 878 N 0.24 0.78 -0.79 0.41 0.02 -1.25 -1.04 113.55 111.92 3hco h SER 878 Ca 0.05 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3hco h SER 878 Cb 0.69 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 3hco h SER 878 CO 0.04 0.62 0.42 0.50 -1.14 0.00 0.00 176.83 177.27 3hco h LYS 879 N 0.89 1.10 0.03 3.45 3.64 -0.99 -1.36 116.57 123.34 3hco h LYS 879 Ca 0.23 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 3hco h LYS 879 Cb 0.00 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 31.57 3hco h LYS 879 CO -0.04 0.83 -0.23 0.00 -2.27 0.00 0.00 179.45 177.74 3hco h ALA 880 N 1.22 -0.32 -0.44 5.00 0.00 -0.19 -0.70 119.26 123.83 3hco h ALA 880 Ca 0.27 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.21 3hco h ALA 880 Cb 0.05 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3hco h ALA 880 CO -0.04 -0.73 0.22 -0.07 0.00 0.00 0.00 179.25 178.62 3hco h LEU 881 N -0.38 0.32 -0.48 0.00 3.38 -0.93 -1.46 115.31 115.77 3hco h LEU 881 Ca 0.05 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 3hco h LEU 881 Cb 0.44 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3hco h LEU 881 CO -0.18 0.23 0.18 0.00 0.09 0.00 0.00 178.44 178.75 3hco h ALA 882 N 1.23 0.62 -0.99 1.53 0.00 -1.19 -1.77 119.26 118.69 3hco h ALA 882 Ca 0.19 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.05 3hco h ALA 882 Cb 0.09 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 17.61 3hco h ALA 882 CO -0.13 0.25 0.62 0.22 0.00 0.00 0.00 179.25 180.21 3hco h ASP 883 N 0.63 0.91 -0.15 0.00 3.58 -0.76 0.29 116.42 120.92 3hco h ASP 883 Ca 0.16 0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.61 3hco h ASP 883 Cb 0.22 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 3hco h ASP 883 CO -0.01 0.49 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.68 3hco h LEU 884 N 0.98 0.34 -0.37 2.28 3.38 -0.98 -0.34 115.31 120.60 3hco h LEU 884 Ca 0.49 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3hco h LEU 884 Cb 0.47 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3hco h LEU 884 CO -0.26 0.70 0.13 0.58 0.09 0.00 0.00 178.44 179.67 3hco h VAL 885 N -0.02 1.20 0.01 1.22 2.07 -0.83 -0.94 116.25 118.97 3hco h VAL 885 Ca 0.03 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3hco h VAL 885 Cb 0.58 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3hco h VAL 885 CO 0.03 0.23 -0.03 -0.74 0.02 0.00 0.00 177.57 177.07 3hco h HIS 886 N 0.44 -0.07 -0.95 1.57 -0.00 -0.44 -0.87 115.15 114.83 3hco h HIS 886 Ca 0.12 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.56 3hco h HIS 886 Cb 0.23 0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 27.61 3hco h HIS 886 CO 0.00 -0.05 0.62 0.77 -0.00 0.00 0.00 177.93 179.27 3hco h SER 887 N -0.06 0.97 0.42 3.26 0.02 -1.01 -1.18 113.55 115.97 3hco h SER 887 Ca 0.01 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3hco h SER 887 Cb 0.07 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3hco h SER 887 CO -0.02 0.62 -0.20 -0.74 -1.14 0.00 0.00 176.83 175.35 3hco h HIS 888 N 1.10 -0.52 -0.28 3.45 6.17 -0.68 -1.45 115.15 122.94 3hco h HIS 888 Ca 0.41 -0.01 0.07 0.00 0.71 0.00 0.00 60.37 61.54 3hco h HIS 888 Cb 0.18 0.17 -0.08 0.00 2.52 0.00 0.00 27.41 30.21 3hco h HIS 888 CO -0.00 -0.31 -0.26 0.82 0.71 0.00 0.00 177.93 178.89 3hco h ILE 889 N -0.59 0.35 -0.64 6.26 2.04 -1.00 -2.56 117.51 121.37 3hco h ILE 889 Ca -0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.84 3hco h ILE 889 Cb 0.45 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3hco h ILE 889 CO 0.09 0.00 0.42 1.56 0.00 0.00 0.00 178.15 180.23 3hco h GLN 890 N -0.25 0.73 0.00 2.37 4.20 -1.06 -2.62 115.11 118.49 3hco h GLN 890 Ca 0.15 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 3hco h GLN 890 Cb 0.48 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3hco h GLN 890 CO -0.42 0.48 -0.22 0.66 -0.67 0.00 0.00 178.83 178.66 3hco h SER 891 N 0.75 0.00 -0.55 1.46 4.64 -0.87 -3.47 113.55 115.51 3hco h SER 891 Ca 0.26 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.34 3hco h SER 891 Cb 0.09 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.09 3hco h SER 891 CO -0.07 0.22 -0.22 0.59 -0.87 0.00 0.00 176.83 176.48 3hco n ASN 892 N -3.30 -5.26 -4.80 4.97 4.13 -0.99 -4.99 115.26 105.03 3hco n ASN 892 Ca 0.01 0.29 -0.34 0.00 1.68 0.00 0.00 54.58 56.21 3hco n ASN 892 Cb 0.47 -3.78 -0.04 0.00 -1.54 0.00 0.00 39.78 34.89 3hco n ASN 892 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 3hco s GLU 893 N -2.88 3.92 -0.01 3.52 -1.05 -1.25 -4.97 118.70 115.98 3hco s GLU 893 Ca 0.00 1.35 0.21 0.00 -0.15 0.00 0.00 54.97 56.38 3hco s GLU 893 Cb 0.00 -2.18 -0.25 0.00 -0.44 0.00 0.00 34.13 31.26 3hco s GLU 893 CO 0.00 -0.33 0.54 1.28 0.95 0.00 0.00 175.26 177.70 3hco n LEU 894 N -0.78 0.22 -3.62 1.83 4.77 -1.26 -4.74 117.00 113.41 3hco n LEU 894 Ca 0.08 0.09 0.01 0.00 -0.03 0.00 0.00 56.01 56.16 3hco n LEU 894 Cb 0.52 0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.68 3hco n LEU 894 CO 0.40 0.06 1.04 0.00 -1.33 0.00 0.00 177.39 177.56 3hco s SER 896 N -2.94 4.50 0.33 0.00 1.04 -1.26 -4.92 113.70 110.44 3hco s SER 896 Ca 0.14 1.94 0.01 0.00 0.48 0.00 0.00 55.95 58.52 3hco s SER 896 Cb 0.04 -2.54 0.58 0.00 0.10 0.00 0.00 66.02 64.20 3hco s SER 896 CO -0.04 -2.04 1.97 0.50 0.98 0.00 0.00 173.24 174.62 3hco h LYS 897 N -0.82 0.92 -0.49 4.02 1.63 -2.01 -2.33 116.57 117.49 3hco h LYS 897 Ca -0.45 -0.06 0.06 0.00 -0.85 0.00 0.00 60.65 59.36 3hco h LYS 897 Cb 1.24 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.64 3hco h LYS 897 CO 0.51 0.61 0.33 1.96 -3.45 0.00 0.00 179.45 179.41 3hco h GLN 898 N 0.95 0.39 0.00 1.90 1.08 -1.95 -1.75 115.11 115.72 3hco h GLN 898 Ca 0.29 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 3hco h GLN 898 Cb -0.00 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.34 3hco h GLN 898 CO -0.08 0.26 -0.05 1.25 -0.95 0.00 0.00 178.83 179.26 3hco h LEU 899 N 0.40 0.00 0.00 1.46 5.85 -1.78 -2.19 115.31 119.04 3hco h LEU 899 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3hco h LEU 899 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3hco h LEU 899 CO -0.05 0.05 0.00 0.35 -0.34 0.00 0.00 178.44 178.44 3hco n THR 900 N -3.29 0.03 -3.97 1.05 -2.24 -0.66 -4.55 114.28 100.65 3hco n THR 900 Ca -0.01 0.01 -0.34 0.00 -2.27 0.00 0.00 64.05 61.43 3hco n THR 900 Cb 0.21 -0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 67.77 3hco n THR 900 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hco s LEU 901 N -2.46 2.89 0.66 3.22 2.96 -0.83 -5.13 118.68 120.00 3hco s LEU 901 Ca 0.31 -0.68 -0.08 0.00 -0.22 0.00 0.00 54.13 53.46 3hco s LEU 901 Cb 0.20 -1.65 0.02 0.00 0.50 0.00 0.00 46.19 45.26 3hco s LEU 901 CO 0.43 -0.07 1.00 -0.44 -1.32 0.00 0.00 176.35 175.95 3hco s SER 902 N 1.37 5.41 0.45 3.68 0.01 -1.26 -4.99 113.70 118.36 3hco s SER 902 Ca 0.03 0.86 -0.24 0.00 1.31 0.00 0.00 55.95 57.90 3hco s SER 902 Cb -0.15 -1.72 -0.09 0.00 0.21 0.00 0.00 66.02 64.27 3hco s SER 902 CO -0.06 -1.27 1.22 0.00 0.41 0.00 0.00 173.24 173.54 3hco h PRO 904 N 1.82 0.00 0.00 0.00 0.11 -1.84 -2.67 132.00 129.43 3hco h PRO 904 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3hco h PRO 904 Cb 1.31 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.39 3hco h PRO 904 CO 0.58 0.00 -0.32 1.28 -0.21 0.00 0.00 178.00 179.33 3hco n LEU 905 N -3.99 2.28 -4.63 2.35 4.77 -0.82 -5.05 117.00 111.92 3hco n LEU 905 Ca 0.03 -3.26 -0.48 0.00 -0.03 0.00 0.00 56.01 52.27 3hco n LEU 905 Cb 0.38 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 41.01 3hco n LEU 905 CO 0.30 0.99 0.97 0.00 -1.33 0.00 0.00 177.39 178.32 3hco n VAL 907 N 2.43 1.60 -3.69 0.00 0.24 -1.26 -4.97 118.33 112.68 3hco n VAL 907 Ca 0.16 -1.92 -0.39 0.00 -2.04 0.00 0.00 64.34 60.15 3hco n VAL 907 Cb 0.26 -0.13 -0.11 0.00 -1.47 0.00 0.00 33.84 32.39 3hco n VAL 907 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3hco s ASN 908 N -2.59 5.46 0.19 -1.34 3.84 -1.26 -4.97 114.94 114.27 3hco s ASN 908 Ca 0.27 -1.30 0.19 0.00 0.21 0.00 0.00 52.86 52.23 3hco s ASN 908 Cb 0.24 -1.92 0.84 0.00 -0.55 0.00 0.00 41.25 39.86 3hco s ASN 908 CO 0.03 -0.41 1.57 -0.81 -2.79 0.00 0.00 177.10 174.68 3hco n PRO 909 N 4.85 0.12 0.11 0.43 -0.04 -1.26 -1.75 135.00 137.46 3hco n PRO 909 Ca -0.11 0.45 -0.03 0.00 -0.04 0.00 0.00 63.50 63.77 3hco n PRO 909 Cb 0.44 -1.78 0.14 0.00 -0.04 0.00 0.00 33.50 32.26 3hco n PRO 909 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hco h VAL 910 N 0.00 1.43 -0.40 0.52 2.07 -2.00 -3.31 116.25 114.56 3hco h VAL 910 Ca 0.00 -2.10 0.08 0.00 0.82 0.00 0.00 66.70 65.50 3hco h VAL 910 Cb 0.21 2.11 -0.08 0.00 -1.52 0.00 0.00 31.29 32.01 3hco h VAL 910 CO 0.00 0.61 -0.13 0.00 0.02 0.00 0.00 177.57 178.07 3hco h ARG 912 N -0.04 0.36 -0.62 0.00 0.11 -1.76 -1.31 114.38 111.11 3hco h ARG 912 Ca 0.20 -0.12 -0.00 0.00 0.10 0.00 0.00 59.98 60.15 3hco h ARG 912 Cb 0.34 -0.03 -0.03 0.00 1.11 0.00 0.00 29.97 31.36 3hco h ARG 912 CO -0.44 0.57 0.37 0.93 0.10 0.00 0.00 179.97 181.51 3hco h GLU 913 N 0.32 0.83 -0.52 0.08 4.39 -1.34 -1.09 114.58 117.26 3hco h GLU 913 Ca 0.05 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.59 3hco h GLU 913 Cb 0.59 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 3hco h GLU 913 CO 0.04 0.60 -0.03 1.15 -1.16 0.00 0.00 179.01 179.61 3hco h THR 914 N 0.83 1.27 -0.04 1.13 2.02 -0.66 -1.20 112.91 116.26 3hco h THR 914 Ca 0.22 -1.14 0.04 0.00 0.77 0.00 0.00 66.41 66.30 3hco h THR 914 Cb -0.03 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 3hco h THR 914 CO -0.04 0.40 -0.26 0.50 0.37 0.00 0.00 175.52 176.49 3hco h LYS 915 N 0.80 -0.36 -0.40 6.66 3.11 -0.88 -2.33 116.57 123.17 3hco h LYS 915 Ca 0.14 0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.99 3hco h LYS 915 Cb 0.56 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.86 3hco h LYS 915 CO 0.03 -0.24 0.16 0.77 -2.81 0.00 0.00 179.45 177.36 3hco h SER 916 N -0.38 0.50 -0.28 4.20 0.02 -1.07 -0.96 113.55 115.59 3hco h SER 916 Ca 0.07 -0.05 0.07 0.00 -0.84 0.00 0.00 61.79 61.04 3hco h SER 916 Cb 0.48 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.82 3hco h SER 916 CO -0.26 0.46 -0.24 0.15 -1.14 0.00 0.00 176.83 175.80 3hco h PHE 917 N 0.56 -0.64 -0.17 3.45 3.57 -0.72 -0.68 116.94 122.31 3hco h PHE 917 Ca 0.14 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 3hco h PHE 917 Cb 0.11 0.32 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 3hco h PHE 917 CO 0.01 -0.32 -0.23 0.74 -2.23 0.00 0.00 178.31 176.27 3hco h PHE 918 N -0.23 0.56 0.00 0.41 -1.00 -0.90 -3.20 116.94 112.59 3hco h PHE 918 Ca 0.15 -0.18 -0.06 0.00 2.81 0.00 0.00 57.97 60.68 3hco h PHE 918 Cb 0.46 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 3hco h PHE 918 CO -0.41 0.87 -0.30 1.79 -1.61 0.00 0.00 178.31 178.64 3hco h THR 919 N 0.10 0.86 -0.01 -1.55 1.35 -1.11 -3.01 112.91 109.54 3hco h THR 919 Ca 0.02 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.67 3hco h THR 919 Cb 0.80 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3hco h THR 919 CO 0.05 0.30 -0.11 -1.20 -0.25 0.00 0.00 175.52 174.31 3hco n SER 920 N -3.66 1.00 -4.76 5.36 7.64 -0.27 -4.98 113.62 113.94 3hco n SER 920 Ca -0.01 -1.05 -0.39 0.00 1.01 0.00 0.00 58.87 58.43 3hco n SER 920 Cb 0.42 0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.66 3hco n SER 920 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3hco s GLN 921 N -2.28 3.63 0.31 1.43 -1.52 -1.14 -4.92 119.66 115.17 3hco s GLN 921 Ca 0.32 2.33 -0.29 0.00 -1.95 0.00 0.00 55.36 55.77 3hco s GLN 921 Cb 0.20 -2.59 -0.12 0.00 -0.22 0.00 0.00 33.01 30.28 3hco s GLN 921 CO 0.43 -0.83 1.46 0.94 -0.25 0.00 0.00 175.29 177.04 3hco n GLN 922 N -0.31 2.41 -0.31 2.91 7.27 -1.26 -5.01 117.38 123.09 3hco n GLN 922 Ca 0.06 0.85 0.00 0.00 0.07 0.00 0.00 57.00 57.98 3hco n GLN 922 Cb 0.43 -2.55 0.00 0.00 2.41 0.00 0.00 30.24 30.53 3hco n GLN 922 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41