#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5u n GLN 613 N 0.00 -2.20 -3.78 0.38 6.02 -1.26 -4.92 117.38 111.61 1a5u n GLN 613 Ca 0.00 -0.61 -0.22 0.00 -0.01 0.00 0.00 57.00 56.16 1a5u n GLN 613 Cb 0.00 -2.05 -0.04 0.00 1.02 0.00 0.00 30.24 29.17 1a5u n GLN 613 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1a5u s THR 614 N -2.37 2.77 -1.54 5.09 -4.23 -1.26 -4.28 115.64 109.82 1a5u s THR 614 Ca 0.65 -1.46 -0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1a5u s THR 614 Cb -0.22 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.60 1a5u s THR 614 CO 0.65 -0.05 0.04 1.67 -0.54 0.00 0.00 174.62 176.39 1a5u n GLN 615 N -1.41 -1.12 -1.89 3.99 7.27 1.23 -1.05 117.38 124.40 1a5u n GLN 615 Ca 0.01 0.11 -0.10 0.00 0.07 0.00 0.00 57.00 57.09 1a5u n GLN 615 Cb 0.62 -3.66 -0.02 0.00 2.41 0.00 0.00 30.24 29.58 1a5u n GLN 615 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1a5u n GLN 616 N -4.57 -1.80 0.03 3.69 1.13 -1.26 -4.78 117.38 109.82 1a5u n GLN 616 Ca -0.32 0.56 0.09 0.00 -1.94 0.00 0.00 57.00 55.38 1a5u n GLN 616 Cb 0.70 -4.95 0.52 0.00 0.11 0.00 0.00 30.24 26.61 1a5u n GLN 616 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1a5u h LEU 617 N 0.00 0.30 -0.30 1.08 3.38 -1.41 0.49 115.31 118.84 1a5u h LEU 617 Ca -0.23 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1a5u h LEU 617 Cb 0.94 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1a5u h LEU 617 CO 0.30 0.20 0.13 -0.74 0.09 0.00 0.00 178.44 178.42 1a5u h HIS 618 N 0.34 0.45 0.00 1.13 2.76 -1.87 -2.48 115.15 115.48 1a5u h HIS 618 Ca 0.16 -0.03 -0.11 0.00 -2.20 0.00 0.00 60.37 58.19 1a5u h HIS 618 Cb 0.22 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 1a5u h HIS 618 CO -0.00 0.43 -0.54 0.00 -1.30 0.00 0.00 177.93 176.51 1a5u h ALA 619 N 0.97 0.95 -0.32 5.26 0.00 -1.58 -2.52 119.26 122.02 1a5u h ALA 619 Ca 0.10 -0.49 0.09 0.00 0.00 0.00 0.00 54.91 54.61 1a5u h ALA 619 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1a5u h ALA 619 CO -0.01 0.68 0.41 0.00 0.00 0.00 0.00 179.25 180.33 1a5u h ALA 620 N 1.46 1.96 -0.46 0.00 0.00 0.40 0.96 119.26 123.57 1a5u h ALA 620 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a5u h ALA 620 Cb 1.06 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1a5u h ALA 620 CO 0.07 -0.58 0.00 -1.33 0.00 0.00 0.00 179.25 177.41 1a5u n MET 621 N -3.56 2.22 -2.06 0.00 2.81 -0.95 -4.77 117.12 110.80 1a5u n MET 621 Ca 0.05 -1.89 -0.34 0.00 -1.81 0.00 0.00 57.70 53.72 1a5u n MET 621 Cb 0.56 -1.43 0.02 0.00 -0.71 0.00 0.00 33.22 31.66 1a5u n MET 621 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a5u s ALA 622 N -1.39 2.62 -0.08 3.04 0.00 0.33 -4.99 121.76 121.29 1a5u s ALA 622 Ca 0.36 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1a5u s ALA 622 Cb 0.19 -3.33 -0.25 0.00 0.00 0.00 0.00 23.12 19.73 1a5u s ALA 622 CO 0.26 -0.95 0.52 -0.44 0.00 0.00 0.00 175.76 175.15 1a5u h ASP 623 N 0.72 0.27 -2.33 0.00 3.32 -1.93 -3.47 116.42 113.00 1a5u h ASP 623 Ca -0.49 -0.59 -0.57 0.00 0.02 0.00 0.00 57.03 55.41 1a5u h ASP 623 Cb 1.25 -0.09 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 1a5u h ASP 623 CO 0.56 1.53 -0.66 0.42 -1.72 0.00 0.00 179.24 179.37 1a5u s THR 624 N -2.58 1.91 0.12 0.35 -4.23 -1.26 -5.04 115.64 104.91 1a5u s THR 624 Ca -0.15 -2.13 -0.17 0.00 -1.18 0.00 0.00 61.69 58.06 1a5u s THR 624 Cb 0.07 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 1a5u s THR 624 CO 0.80 -0.18 1.69 0.15 -0.54 0.00 0.00 174.62 176.53 1a5u h PHE 625 N 2.07 0.48 -0.11 3.99 3.57 -1.99 -0.48 116.94 124.47 1a5u h PHE 625 Ca -0.42 -0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.10 1a5u h PHE 625 Cb 1.24 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.77 1a5u h PHE 625 CO 0.72 0.44 -0.34 1.25 -2.23 0.00 0.00 178.31 178.14 1a5u h LEU 626 N 0.39 -1.07 -0.69 0.59 5.85 -1.99 -0.55 115.31 117.83 1a5u h LEU 626 Ca 0.11 0.15 0.08 0.00 0.84 0.00 0.00 57.88 59.06 1a5u h LEU 626 Cb 0.14 0.44 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 1a5u h LEU 626 CO -0.01 -0.38 0.35 -0.08 -0.34 0.00 0.00 178.44 177.98 1a5u h GLU 627 N -0.44 0.59 -0.54 1.25 4.57 -1.91 -0.53 114.58 117.57 1a5u h GLU 627 Ca 0.09 -0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.34 1a5u h GLU 627 Cb 0.57 -0.13 -0.10 0.00 -0.16 0.00 0.00 28.75 28.93 1a5u h GLU 627 CO -0.35 0.39 -0.10 1.25 -1.18 0.00 0.00 179.01 179.02 1a5u h HIS 628 N 0.61 -0.23 0.58 0.92 2.76 -0.12 0.10 115.15 119.78 1a5u h HIS 628 Ca 0.33 0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.52 1a5u h HIS 628 Cb 0.32 0.18 0.01 0.00 1.55 0.00 0.00 27.41 29.47 1a5u h HIS 628 CO -0.10 -0.21 -0.28 0.52 -1.30 0.00 0.00 177.93 176.56 1a5u h MET 629 N 0.02 -0.75 -0.11 5.26 2.86 -0.23 -2.36 114.93 119.62 1a5u h MET 629 Ca 0.26 0.05 0.03 0.00 -2.06 0.00 0.00 59.70 57.99 1a5u h MET 629 Cb 0.41 0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1a5u h MET 629 CO -0.53 -0.47 0.39 0.00 1.06 0.00 0.00 176.91 177.36 1a5u n ARG 631 N -3.08 0.53 -1.72 0.00 1.74 -0.03 -4.94 116.66 109.17 1a5u n ARG 631 Ca 0.01 -0.32 -0.43 0.00 -0.77 0.00 0.00 57.85 56.34 1a5u n ARG 631 Cb 0.47 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.40 1a5u n ARG 631 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1a5u n LEU 632 N -0.95 3.97 -3.91 0.55 4.77 0.42 -4.45 117.00 117.40 1a5u n LEU 632 Ca 0.10 1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 56.92 1a5u n LEU 632 Cb 0.35 -1.55 -0.16 0.00 -2.33 0.00 0.00 43.42 39.73 1a5u n LEU 632 CO 0.30 -0.01 -0.43 -0.62 -1.33 0.00 0.00 177.39 175.29 1a5u s ASP 633 N 0.56 2.90 0.67 -1.43 2.15 -1.26 -4.97 116.67 115.28 1a5u s ASP 633 Ca 0.67 -0.68 0.44 0.00 0.43 0.00 0.00 52.55 53.41 1a5u s ASP 633 Cb -0.54 -0.97 2.41 0.00 -0.30 0.00 0.00 42.92 43.52 1a5u s ASP 633 CO 0.46 -0.17 2.37 0.16 -0.17 0.00 0.00 175.17 177.82 1a5u h ILE 634 N 6.37 0.01 -0.01 4.11 3.07 -2.02 0.28 117.51 129.30 1a5u h ILE 634 Ca -0.25 -0.01 0.00 0.00 1.55 0.00 0.00 64.86 66.14 1a5u h ILE 634 Cb 1.11 1.01 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 1a5u h ILE 634 CO 0.42 0.00 -0.24 0.47 -1.05 0.00 0.00 178.15 177.75 1a5u n ASP 635 N -3.09 1.31 -4.47 2.16 8.00 -1.26 -4.73 116.55 114.46 1a5u n ASP 635 Ca -0.03 -1.11 -0.43 0.00 0.71 0.00 0.00 54.79 53.93 1a5u n ASP 635 Cb 0.08 0.16 -0.04 0.00 -0.02 0.00 0.00 41.12 41.30 1a5u n ASP 635 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1a5u s SER 636 N -2.40 6.20 0.50 -2.24 0.15 0.97 -4.98 113.70 111.89 1a5u s SER 636 Ca 0.26 -0.84 -0.22 0.00 0.70 0.00 0.00 55.95 55.84 1a5u s SER 636 Cb 0.19 -2.43 -0.06 0.00 -1.71 0.00 0.00 66.02 62.01 1a5u s SER 636 CO 0.49 -1.45 1.22 0.00 1.20 0.00 0.00 173.24 174.71 1a5u s ALA 637 N 4.20 2.86 0.24 5.45 0.00 -1.26 -4.33 121.76 128.92 1a5u s ALA 637 Ca 0.24 1.05 0.06 0.00 0.00 0.00 0.00 51.96 53.31 1a5u s ALA 637 Cb -0.15 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1a5u s ALA 637 CO 0.12 -0.92 0.28 -1.25 0.00 0.00 0.00 175.76 173.99 1a5u s PRO 638 N -2.86 3.20 0.91 0.00 0.04 -1.26 0.38 135.00 135.40 1a5u s PRO 638 Ca 0.68 -0.89 -0.11 0.00 0.04 0.00 0.00 61.00 60.72 1a5u s PRO 638 Cb -0.32 -2.74 0.13 0.00 0.04 0.00 0.00 34.50 31.62 1a5u s PRO 638 CO 0.38 0.42 1.09 0.96 0.04 0.00 0.00 177.00 179.89 1a5u s ILE 639 N -2.03 2.63 0.18 0.56 -4.36 -1.26 -4.90 121.20 112.01 1a5u s ILE 639 Ca 0.33 0.20 -0.10 0.00 -0.26 0.00 0.00 60.65 60.83 1a5u s ILE 639 Cb -0.09 -2.60 0.06 0.00 1.25 0.00 0.00 42.46 41.09 1a5u s ILE 639 CO 0.27 -0.27 1.65 0.71 0.24 0.00 0.00 174.94 177.54 1a5u h THR 640 N -1.63 1.26 -2.62 8.37 1.35 -1.96 -3.43 112.91 114.26 1a5u h THR 640 Ca -0.49 -1.09 -0.55 0.00 -0.55 0.00 0.00 66.41 63.73 1a5u h THR 640 Cb 1.28 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 68.47 1a5u h THR 640 CO 0.52 0.40 1.11 0.00 -0.25 0.00 0.00 175.52 177.30 1a5u s ALA 641 N -5.09 3.53 -0.33 6.62 0.00 -1.26 -4.99 121.76 120.23 1a5u s ALA 641 Ca -0.12 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.56 1a5u s ALA 641 Cb 0.13 -3.78 -0.02 0.00 0.00 0.00 0.00 23.12 19.46 1a5u s ALA 641 CO 0.85 -1.54 0.26 0.50 0.00 0.00 0.00 175.76 175.82 1a5u s ARG 642 N 4.22 3.57 0.08 0.00 3.00 -1.26 -4.93 118.95 123.63 1a5u s ARG 642 Ca 0.74 -0.55 -0.01 0.00 -1.00 0.00 0.00 55.73 54.91 1a5u s ARG 642 Cb -0.32 -3.79 -0.26 0.00 0.00 0.00 0.00 34.95 30.58 1a5u s ARG 642 CO 0.30 -0.42 1.14 -0.91 0.00 0.00 0.00 175.30 175.40 1a5u h ASN 643 N 8.47 0.29 -2.95 -2.12 -0.26 -1.94 -3.46 115.58 113.60 1a5u h ASN 643 Ca -0.31 -0.32 -0.57 0.00 -0.56 0.00 0.00 56.30 54.53 1a5u h ASN 643 Cb 1.16 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 38.28 1a5u h ASN 643 CO 0.63 1.26 0.91 -0.89 -1.06 0.00 0.00 177.43 178.28 1a5u s THR 644 N -2.67 4.27 0.29 2.81 2.01 -1.26 -1.16 115.64 119.94 1a5u s THR 644 Ca -0.03 1.52 -0.29 0.00 0.31 0.00 0.00 61.69 63.20 1a5u s THR 644 Cb 0.08 -4.03 -0.10 0.00 0.01 0.00 0.00 72.50 68.46 1a5u s THR 644 CO 0.86 -0.19 1.33 -0.83 -0.69 0.00 0.00 174.62 175.11 1a5u s GLY 645 N 2.09 2.77 -0.36 4.40 0.00 -0.87 -4.84 107.32 110.51 1a5u s GLY 645 Ca 0.55 1.25 -0.10 0.00 0.00 0.00 0.00 44.72 46.42 1a5u s GLY 645 CO 0.16 2.01 0.18 -0.42 0.00 0.00 0.00 173.10 175.03 1a5u s ILE 646 N -0.70 4.36 -0.36 0.90 1.01 -1.26 -0.09 121.20 125.05 1a5u s ILE 646 Ca 0.52 -0.93 -0.16 0.00 0.00 0.00 0.00 60.65 60.08 1a5u s ILE 646 Cb -0.40 -3.44 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 1a5u s ILE 646 CO 0.48 -0.22 0.40 -0.63 0.00 0.00 0.00 174.94 174.98 1a5u s ILE 647 N 1.51 5.12 -0.25 2.92 1.01 0.29 -1.96 121.20 129.85 1a5u s ILE 647 Ca 0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 60.65 60.58 1a5u s ILE 647 Cb -0.19 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 1a5u s ILE 647 CO 0.06 -0.20 0.05 0.00 0.00 0.00 0.00 174.94 174.85 1a5u s THR 649 N 1.57 3.60 0.29 0.00 2.01 0.16 -1.26 115.64 122.00 1a5u s THR 649 Ca 0.06 0.70 -0.22 0.00 0.31 0.00 0.00 61.69 62.54 1a5u s THR 649 Cb -0.15 -3.51 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 1a5u s THR 649 CO 0.02 -0.12 0.84 -0.63 -0.69 0.00 0.00 174.62 174.04 1a5u s ILE 650 N 4.52 4.41 0.00 1.82 -1.09 -1.04 -2.30 121.20 127.52 1a5u s ILE 650 Ca 0.74 1.51 0.00 0.00 -2.23 0.00 0.00 60.65 60.67 1a5u s ILE 650 Cb -0.31 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 36.69 1a5u s ILE 650 CO 0.30 0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.72 1a5u n GLY 651 N 0.45 2.14 0.41 6.18 0.00 -1.24 -4.80 105.19 108.33 1a5u n GLY 651 Ca 0.01 -0.69 0.23 0.00 0.00 0.00 0.00 46.02 45.57 1a5u n GLY 651 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a5u h PRO 652 N 0.00 0.00 0.12 1.61 0.11 -1.76 0.38 132.00 132.46 1a5u h PRO 652 Ca 0.00 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.84 1a5u h PRO 652 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1a5u h PRO 652 CO 0.00 0.00 -1.23 0.00 -0.21 0.00 0.00 178.00 176.56 1a5u h ALA 653 N 1.56 0.11 0.00 -0.75 0.00 -0.12 -3.41 119.26 116.65 1a5u h ALA 653 Ca 0.27 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1a5u h ALA 653 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1a5u h ALA 653 CO -0.00 1.00 -1.11 -1.13 0.00 0.00 0.00 179.25 178.00 1a5u n SER 654 N -3.52 1.54 -0.33 0.00 3.41 0.38 -4.79 113.62 110.32 1a5u n SER 654 Ca -0.08 -0.33 0.26 0.00 -0.26 0.00 0.00 58.87 58.46 1a5u n SER 654 Cb 1.02 1.31 0.50 0.00 -0.26 0.00 0.00 64.21 66.78 1a5u n SER 654 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1a5u h ARG 655 N 0.00 0.16 -7.11 4.33 3.08 -0.62 -3.24 114.38 110.99 1a5u h ARG 655 Ca 0.00 -0.01 -0.54 0.00 0.07 0.00 0.00 59.98 59.50 1a5u h ARG 655 Cb 0.42 -0.04 0.14 0.00 0.08 0.00 0.00 29.97 30.57 1a5u h ARG 655 CO 0.00 0.11 0.49 -1.54 -1.07 0.00 0.00 179.97 177.96 1a5u s SER 656 N -4.76 4.86 0.12 7.04 1.04 -1.26 -4.78 113.70 115.97 1a5u s SER 656 Ca -0.10 2.49 -0.23 0.00 0.48 0.00 0.00 55.95 58.59 1a5u s SER 656 Cb 0.31 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.78 1a5u s SER 656 CO 0.78 -1.82 1.67 0.58 0.98 0.00 0.00 173.24 175.43 1a5u h VAL 657 N 0.66 0.61 -0.37 5.02 2.07 -1.85 0.73 116.25 123.11 1a5u h VAL 657 Ca -0.51 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.08 1a5u h VAL 657 Cb 1.32 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1a5u h VAL 657 CO 0.54 0.00 0.01 -0.08 0.02 0.00 0.00 177.57 178.06 1a5u h GLU 658 N -0.22 0.11 -0.36 1.57 4.81 -1.93 1.03 114.58 119.59 1a5u h GLU 658 Ca 0.07 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 1a5u h GLU 658 Cb 0.32 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1a5u h GLU 658 CO -0.19 0.07 0.01 1.15 -0.73 0.00 0.00 179.01 179.32 1a5u h THR 659 N 0.11 1.25 -0.15 0.32 2.02 -1.76 -1.04 112.91 113.67 1a5u h THR 659 Ca 0.18 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.41 1a5u h THR 659 Cb 0.25 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1a5u h THR 659 CO -0.29 0.32 0.09 -0.07 0.37 0.00 0.00 175.52 175.93 1a5u h LEU 660 N 0.46 0.17 -0.31 2.58 4.07 0.12 0.62 115.31 123.02 1a5u h LEU 660 Ca 0.11 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.97 1a5u h LEU 660 Cb 0.44 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 1a5u h LEU 660 CO 0.02 0.13 -0.17 0.11 -1.08 0.00 0.00 178.44 177.44 1a5u h LYS 661 N 0.20 0.66 -0.56 1.13 1.57 0.17 -2.28 116.57 117.46 1a5u h LYS 661 Ca 0.05 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 1a5u h LYS 661 Cb -0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1a5u h LYS 661 CO -0.01 0.89 0.06 0.93 -0.57 0.00 0.00 179.45 180.75 1a5u h GLU 662 N 0.42 0.96 -0.77 3.15 4.39 0.36 -0.89 114.58 122.19 1a5u h GLU 662 Ca 0.07 -0.27 0.09 0.00 0.34 0.00 0.00 59.36 59.58 1a5u h GLU 662 Cb 0.71 -0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 29.19 1a5u h GLU 662 CO 0.05 0.93 0.43 0.52 -1.16 0.00 0.00 179.01 179.78 1a5u h MET 663 N 0.85 0.70 0.00 2.33 2.86 0.20 0.53 114.93 122.40 1a5u h MET 663 Ca 0.17 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1a5u h MET 663 Cb 0.46 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1a5u h MET 663 CO 0.02 0.47 -0.00 0.82 1.06 0.00 0.00 176.91 179.27 1a5u h ILE 664 N 0.73 1.20 -0.69 -1.22 2.04 -1.09 0.16 117.51 118.63 1a5u h ILE 664 Ca 0.37 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.69 1a5u h ILE 664 Cb 0.34 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.99 1a5u h ILE 664 CO -0.25 0.16 0.45 0.11 0.00 0.00 0.00 178.15 178.62 1a5u h LYS 665 N -0.26 0.71 0.00 2.37 1.57 -0.32 -1.72 116.57 118.91 1a5u h LYS 665 Ca -0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1a5u h LYS 665 Cb 0.26 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 1a5u h LYS 665 CO 0.00 0.47 -0.03 0.77 -0.57 0.00 0.00 179.45 180.09 1a5u h SER 666 N 0.73 0.00 0.00 0.86 0.02 0.25 -3.47 113.55 111.95 1a5u h SER 666 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1a5u h SER 666 Cb 0.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1a5u h SER 666 CO -0.09 0.03 0.00 0.61 -1.14 0.00 0.00 176.83 176.24 1a5u n GLY 667 N 0.13 0.41 3.70 -3.77 0.00 -0.65 -4.26 105.19 100.76 1a5u n GLY 667 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1a5u n GLY 667 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1a5u s MET 668 N 0.00 4.17 -0.13 1.61 0.00 0.49 -4.58 119.30 120.86 1a5u s MET 668 Ca 0.00 2.47 0.02 0.00 0.00 0.00 0.00 55.69 58.17 1a5u s MET 668 Cb 0.00 -3.42 -0.09 0.00 0.00 0.00 0.00 34.83 31.32 1a5u s MET 668 CO 0.00 -0.74 -0.11 0.09 0.00 0.00 0.00 175.02 174.26 1a5u n ASN 669 N 5.01 2.92 -4.12 1.11 5.03 -0.83 -4.63 115.26 119.76 1a5u n ASN 669 Ca 0.16 -0.07 -0.29 0.00 0.87 0.00 0.00 54.58 55.25 1a5u n ASN 669 Cb 0.38 -0.15 -0.17 0.00 -1.02 0.00 0.00 39.78 38.83 1a5u n ASN 669 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1a5u s VAL 670 N -2.27 1.64 -0.33 2.41 1.01 -1.00 -0.98 120.40 120.88 1a5u s VAL 670 Ca -0.17 -0.76 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 1a5u s VAL 670 Cb 0.05 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 1a5u s VAL 670 CO 0.32 0.47 0.53 0.00 0.00 0.00 0.00 175.10 176.41 1a5u s ALA 671 N 0.64 3.49 -0.19 5.51 0.00 -0.67 -0.08 121.76 130.46 1a5u s ALA 671 Ca -0.14 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 50.78 1a5u s ALA 671 Cb -0.16 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.90 1a5u s ALA 671 CO 0.04 -1.15 0.21 0.50 0.00 0.00 0.00 175.76 175.36 1a5u s ARG 672 N 2.42 4.21 -0.44 0.00 3.52 -0.39 -0.97 118.95 127.30 1a5u s ARG 672 Ca 0.20 -0.07 -0.14 0.00 -0.13 0.00 0.00 55.73 55.58 1a5u s ARG 672 Cb -0.15 -3.43 0.06 0.00 -1.56 0.00 0.00 34.95 29.86 1a5u s ARG 672 CO 0.13 0.24 0.34 -1.64 -0.81 0.00 0.00 175.30 173.56 1a5u s MET 673 N 0.49 2.92 -0.73 5.12 -1.94 0.13 -2.49 119.30 122.81 1a5u s MET 673 Ca 0.12 -1.26 -0.27 0.00 -1.71 0.00 0.00 55.69 52.57 1a5u s MET 673 Cb -0.12 -4.02 0.03 0.00 2.01 0.00 0.00 34.83 32.72 1a5u s MET 673 CO 0.01 -0.92 1.30 1.21 -0.01 0.00 0.00 175.02 176.61 1a5u s ASN 674 N 2.23 6.13 0.00 3.03 3.84 -1.26 0.72 114.94 129.62 1a5u s ASN 674 Ca 0.04 -0.42 0.17 0.00 0.21 0.00 0.00 52.86 52.86 1a5u s ASN 674 Cb -0.22 -2.56 1.01 0.00 -0.55 0.00 0.00 41.25 38.92 1a5u s ASN 674 CO 0.07 -1.86 1.44 0.49 -2.79 0.00 0.00 177.10 174.46 1a5u n PHE 675 N 9.49 0.00 0.31 0.43 3.01 0.35 -3.34 117.46 127.72 1a5u n PHE 675 Ca 0.04 0.00 0.19 0.00 1.01 0.00 0.00 57.45 58.68 1a5u n PHE 675 Cb 0.49 0.00 1.01 0.00 -0.01 0.00 0.00 39.48 40.97 1a5u n PHE 675 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1a5u h SER 676 N 0.00 0.00 -5.40 4.37 0.02 -1.85 -3.39 113.55 107.31 1a5u h SER 676 Ca 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1a5u h SER 676 Cb 0.00 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 62.44 1a5u h SER 676 CO 0.00 0.02 -0.23 -1.00 -1.14 0.00 0.00 176.83 174.48 1a5u s HIS 677 N -4.24 0.74 0.04 3.45 3.76 -1.21 -4.97 115.29 112.86 1a5u s HIS 677 Ca -0.04 -1.03 0.00 0.00 -0.15 0.00 0.00 55.06 53.84 1a5u s HIS 677 Cb 0.13 -0.03 0.00 0.00 1.11 0.00 0.00 32.58 33.79 1a5u s HIS 677 CO 0.49 -0.98 0.00 0.41 -0.85 0.00 0.00 174.74 173.81 1a5u n GLY 678 N -0.42 -2.56 3.98 -2.22 0.00 -1.26 -4.91 105.19 97.79 1a5u n GLY 678 Ca -0.00 -1.43 -0.20 0.00 0.00 0.00 0.00 46.02 44.39 1a5u n GLY 678 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a5u s THR 679 N -2.92 3.97 0.30 2.61 -4.23 -1.26 -4.94 115.64 109.17 1a5u s THR 679 Ca 0.00 -0.82 0.02 0.00 -1.18 0.00 0.00 61.69 59.71 1a5u s THR 679 Cb 0.00 -3.41 0.29 0.00 1.34 0.00 0.00 72.50 70.72 1a5u s THR 679 CO 0.00 -0.20 1.89 0.45 -0.54 0.00 0.00 174.62 176.21 1a5u h HIS 680 N 0.69 1.05 -0.50 3.99 -0.00 -1.99 0.21 115.15 118.60 1a5u h HIS 680 Ca -0.46 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 59.91 1a5u h HIS 680 Cb 1.26 -0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 28.30 1a5u h HIS 680 CO 0.43 0.50 0.17 1.49 -0.00 0.00 0.00 177.93 180.52 1a5u h GLU 681 N 0.99 0.73 0.30 2.45 4.22 -1.98 -0.22 114.58 121.06 1a5u h GLU 681 Ca 0.43 -0.11 -0.01 0.00 0.08 0.00 0.00 59.36 59.74 1a5u h GLU 681 Cb 0.33 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1a5u h GLU 681 CO -0.18 0.62 -0.14 -0.92 -2.18 0.00 0.00 179.01 176.20 1a5u h TYR 682 N 0.72 -0.37 -0.66 0.92 3.20 -1.06 -3.02 116.97 116.70 1a5u h TYR 682 Ca 0.17 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.16 1a5u h TYR 682 Cb 0.18 0.12 -0.10 0.00 1.54 0.00 0.00 36.73 38.48 1a5u h TYR 682 CO 0.01 -0.23 0.13 0.45 -1.64 0.00 0.00 178.16 176.88 1a5u h HIS 683 N -0.66 0.20 -0.68 -3.82 3.86 -1.04 1.03 115.15 114.03 1a5u h HIS 683 Ca -0.04 0.04 0.13 0.00 -1.16 0.00 0.00 60.37 59.34 1a5u h HIS 683 Cb 0.31 0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 1a5u h HIS 683 CO 0.05 -0.07 0.46 0.00 0.86 0.00 0.00 177.93 179.23 1a5u h ALA 684 N 1.54 2.09 -0.07 2.45 0.00 -1.15 0.39 119.26 124.51 1a5u h ALA 684 Ca 0.35 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.07 1a5u h ALA 684 Cb 0.56 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1a5u h ALA 684 CO -0.46 -0.26 -0.75 1.49 0.00 0.00 0.00 179.25 179.27 1a5u h GLU 685 N 0.39 0.39 0.44 0.00 4.81 0.12 -0.78 114.58 119.95 1a5u h GLU 685 Ca 0.32 -0.33 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1a5u h GLU 685 Cb 0.73 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1a5u h GLU 685 CO -0.09 0.97 -0.21 1.15 -0.73 0.00 0.00 179.01 180.10 1a5u h THR 686 N 0.26 0.54 -0.93 0.32 2.02 0.40 -1.96 112.91 113.57 1a5u h THR 686 Ca -0.03 -0.29 0.21 0.00 0.77 0.00 0.00 66.41 67.06 1a5u h THR 686 Cb 1.33 0.68 -0.12 0.00 -1.74 0.00 0.00 68.15 68.30 1a5u h THR 686 CO 0.13 0.05 0.48 0.40 0.37 0.00 0.00 175.52 176.95 1a5u h ILE 687 N -0.77 0.56 0.26 3.11 2.04 -0.33 0.20 117.51 122.58 1a5u h ILE 687 Ca -0.06 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1a5u h ILE 687 Cb 0.54 -0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 1a5u h ILE 687 CO 0.10 0.10 -0.53 0.50 0.00 0.00 0.00 178.15 178.32 1a5u h LYS 688 N 0.53 -0.82 -0.98 2.37 3.64 -0.98 0.17 116.57 120.49 1a5u h LYS 688 Ca 0.57 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 60.01 1a5u h LYS 688 Cb 1.02 0.19 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1a5u h LYS 688 CO -0.47 -0.55 0.62 -0.91 -2.27 0.00 0.00 179.45 175.88 1a5u h ASN 689 N -0.85 1.15 -0.18 4.20 -0.26 -0.29 0.58 115.58 119.93 1a5u h ASN 689 Ca -0.03 -0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1a5u h ASN 689 Cb 0.81 -0.29 -0.01 0.00 -1.06 0.00 0.00 38.32 37.77 1a5u h ASN 689 CO -0.21 0.85 0.11 0.58 -1.06 0.00 0.00 177.43 177.70 1a5u h VAL 690 N 1.34 1.03 -0.67 2.81 2.07 -0.38 0.69 116.25 123.15 1a5u h VAL 690 Ca 0.36 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.73 1a5u h VAL 690 Cb -0.11 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1a5u h VAL 690 CO -0.07 0.04 0.15 0.03 0.02 0.00 0.00 177.57 177.74 1a5u h ARG 691 N 0.23 1.06 -0.19 1.57 3.08 0.42 -0.10 114.38 120.46 1a5u h ARG 691 Ca 0.07 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 1a5u h ARG 691 Cb -0.01 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1a5u h ARG 691 CO -0.03 0.95 0.11 1.15 -1.07 0.00 0.00 179.97 181.08 1a5u h THR 692 N 1.01 1.08 -0.33 2.04 2.02 0.74 -2.23 112.91 117.24 1a5u h THR 692 Ca 0.21 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1a5u h THR 692 Cb 0.37 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1a5u h THR 692 CO 0.00 0.08 0.21 0.00 0.37 0.00 0.00 175.52 176.18 1a5u h ALA 693 N 1.02 0.42 -0.22 6.16 0.00 0.71 -3.06 119.26 124.30 1a5u h ALA 693 Ca 0.07 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1a5u h ALA 693 Cb 0.03 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1a5u h ALA 693 CO -0.01 -0.09 -0.15 1.15 0.00 0.00 0.00 179.25 180.15 1a5u h THR 694 N 0.44 0.56 0.00 0.00 2.02 -0.78 -2.40 112.91 112.74 1a5u h THR 694 Ca 0.12 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1a5u h THR 694 Cb -0.01 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1a5u h THR 694 CO -0.02 0.00 -0.00 -0.33 0.37 0.00 0.00 175.52 175.53 1a5u h GLU 695 N -0.15 0.00 -0.31 6.66 4.39 -1.35 -2.40 114.58 121.42 1a5u h GLU 695 Ca 0.13 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.92 1a5u h GLU 695 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1a5u h GLU 695 CO -0.31 0.00 0.28 0.66 -1.16 0.00 0.00 179.01 178.48 1a5u h SER 696 N 0.00 0.00 0.23 1.42 4.64 -1.33 -0.26 113.55 118.25 1a5u h SER 696 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a5u h SER 696 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1a5u h SER 696 CO 0.00 0.00 -0.76 0.49 -0.87 0.00 0.00 176.83 175.69 1a5u n PHE 697 N -4.01 0.00 -0.16 4.77 3.72 -0.90 -4.32 117.46 116.56 1a5u n PHE 697 Ca 0.05 0.00 0.27 0.00 -0.05 0.00 0.00 57.45 57.72 1a5u n PHE 697 Cb 0.44 -0.11 0.71 0.00 -0.94 0.00 0.00 39.48 39.58 1a5u n PHE 697 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a5u h ALA 698 N 3.01 2.79 -0.08 4.37 0.00 -1.17 0.74 119.26 128.92 1a5u h ALA 698 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1a5u h ALA 698 Cb 0.50 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1a5u h ALA 698 CO 0.00 -1.03 0.42 0.66 0.00 0.00 0.00 179.25 179.30 1a5u h SER 699 N 0.01 0.00 -2.68 0.00 4.64 -1.75 -2.94 113.55 110.83 1a5u h SER 699 Ca 0.41 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 61.12 1a5u h SER 699 Cb 1.61 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 63.29 1a5u h SER 699 CO -0.01 0.00 -0.70 -0.67 -0.87 0.00 0.00 176.83 174.57 1a5u n ASP 700 N -2.98 2.18 -0.49 4.97 2.03 0.25 -4.96 116.55 117.56 1a5u n ASP 700 Ca -0.00 -3.03 0.41 0.00 0.52 0.00 0.00 54.79 52.68 1a5u n ASP 700 Cb 0.49 -0.69 0.62 0.00 -0.72 0.00 0.00 41.12 40.82 1a5u n ASP 700 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1a5u n PRO 701 N 1.91 0.00 -0.05 -0.67 -0.04 -1.11 0.22 135.00 135.26 1a5u n PRO 701 Ca 0.24 0.96 -0.17 0.00 -0.04 0.00 0.00 63.50 64.49 1a5u n PRO 701 Cb 0.40 -2.28 -0.13 0.00 -0.04 0.00 0.00 33.50 31.45 1a5u n PRO 701 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1a5u h ILE 702 N 0.00 1.51 -0.26 0.52 1.08 -1.91 -3.31 117.51 115.14 1a5u h ILE 702 Ca 0.71 -2.36 0.00 0.00 -0.39 0.00 0.00 64.86 62.83 1a5u h ILE 702 Cb 3.17 3.08 0.00 0.00 -3.07 0.00 0.00 36.82 40.00 1a5u h ILE 702 CO -0.01 0.58 0.00 0.18 -0.69 0.00 0.00 178.15 178.21 1a5u n LEU 703 N -4.43 1.53 -4.74 1.44 4.32 0.59 -4.86 117.00 110.86 1a5u n LEU 703 Ca -0.16 -0.76 -0.40 0.00 -0.02 0.00 0.00 56.01 54.66 1a5u n LEU 703 Cb 0.62 -0.21 -0.05 0.00 -1.62 0.00 0.00 43.42 42.16 1a5u n LEU 703 CO 0.34 0.36 0.53 -0.47 -1.22 0.00 0.00 177.39 176.93 1a5u s TYR 704 N -1.64 3.74 -0.14 -1.77 5.04 0.36 -4.89 117.35 118.05 1a5u s TYR 704 Ca 0.18 1.57 -0.01 0.00 -2.44 0.00 0.00 57.07 56.37 1a5u s TYR 704 Cb 0.10 -2.91 0.03 0.00 0.35 0.00 0.00 41.96 39.54 1a5u s TYR 704 CO 0.12 0.22 -0.06 1.03 -1.34 0.00 0.00 175.55 175.52 1a5u s ARG 705 N 0.09 1.44 0.37 4.97 0.52 -1.26 -4.93 118.95 120.16 1a5u s ARG 705 Ca 0.42 -0.38 -0.28 0.00 -0.52 0.00 0.00 55.73 54.96 1a5u s ARG 705 Cb -0.21 -1.80 -0.11 0.00 0.52 0.00 0.00 34.95 33.35 1a5u s ARG 705 CO 0.25 -0.36 1.48 -2.14 0.02 0.00 0.00 175.30 174.55 1a5u s PRO 706 N 1.68 4.11 -0.08 3.54 0.02 -1.26 -4.96 135.00 138.05 1a5u s PRO 706 Ca 0.03 2.57 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1a5u s PRO 706 Cb -0.14 -2.97 0.02 0.00 0.02 0.00 0.00 34.50 31.43 1a5u s PRO 706 CO -0.08 -0.53 -0.06 0.08 -0.33 0.00 0.00 177.00 176.09 1a5u s VAL 707 N -1.11 0.78 0.72 3.83 1.01 -1.26 -4.91 120.40 119.46 1a5u s VAL 707 Ca 0.53 -0.18 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 1a5u s VAL 707 Cb -0.46 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.12 1a5u s VAL 707 CO 0.63 0.31 1.08 0.00 0.00 0.00 0.00 175.10 177.12 1a5u s ALA 708 N 1.43 2.71 -0.12 5.51 0.00 -0.15 -4.92 121.76 126.22 1a5u s ALA 708 Ca -0.02 -0.21 0.01 0.00 0.00 0.00 0.00 51.96 51.75 1a5u s ALA 708 Cb -0.13 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 19.93 1a5u s ALA 708 CO -0.04 -1.26 -0.14 0.08 0.00 0.00 0.00 175.76 174.41 1a5u s VAL 709 N -3.23 1.43 0.07 0.00 1.01 -1.26 -1.67 120.40 116.76 1a5u s VAL 709 Ca 0.58 -0.59 0.09 0.00 0.00 0.00 0.00 61.98 62.07 1a5u s VAL 709 Cb -0.12 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1a5u s VAL 709 CO 0.53 0.43 -0.25 0.00 0.00 0.00 0.00 175.10 175.82 1a5u s ALA 710 N 1.17 2.14 -0.20 5.51 0.00 -0.14 -1.06 121.76 129.18 1a5u s ALA 710 Ca -0.03 -1.28 -0.02 0.00 0.00 0.00 0.00 51.96 50.63 1a5u s ALA 710 Cb -0.14 -0.40 -0.00 0.00 0.00 0.00 0.00 23.12 22.58 1a5u s ALA 710 CO -0.04 0.49 -0.08 -1.17 0.00 0.00 0.00 175.76 174.95 1a5u s LEU 711 N -1.52 2.72 -0.36 0.00 0.20 -0.80 0.22 118.68 119.14 1a5u s LEU 711 Ca 0.11 -0.44 -0.07 0.00 0.69 0.00 0.00 54.13 54.42 1a5u s LEU 711 Cb -0.10 -1.67 0.05 0.00 -0.43 0.00 0.00 46.19 44.04 1a5u s LEU 711 CO 0.03 0.01 0.15 -0.62 -0.29 0.00 0.00 176.35 175.63 1a5u s ASP 712 N 1.31 5.43 0.30 3.68 -1.08 0.22 0.95 116.67 127.48 1a5u s ASP 712 Ca 0.04 -1.21 -0.29 0.00 -0.52 0.00 0.00 52.55 50.57 1a5u s ASP 712 Cb -0.14 -1.91 -0.10 0.00 -1.46 0.00 0.00 42.92 39.31 1a5u s ASP 712 CO -0.04 -0.38 1.31 0.42 0.52 0.00 0.00 175.17 177.00 1a5u s THR 713 N 1.42 2.84 0.20 1.71 -4.23 -0.50 0.13 115.64 117.21 1a5u s THR 713 Ca -0.00 0.80 -0.10 0.00 -1.18 0.00 0.00 61.69 61.21 1a5u s THR 713 Cb -0.20 -3.51 0.13 0.00 1.34 0.00 0.00 72.50 70.26 1a5u s THR 713 CO 0.03 0.17 1.77 0.50 -0.54 0.00 0.00 174.62 176.55 1a5u h LYS 714 N 3.88 0.49 0.00 3.99 3.64 -1.91 -3.38 116.57 123.28 1a5u h LYS 714 Ca -0.48 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 58.89 1a5u h LYS 714 Cb 1.22 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1a5u h LYS 714 CO 0.69 0.32 -0.03 0.41 -2.27 0.00 0.00 179.45 178.57 1a5u n GLY 715 N -1.28 -2.05 3.75 5.01 0.00 -1.26 -4.89 105.19 104.47 1a5u n GLY 715 Ca 0.08 -1.41 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 1a5u n GLY 715 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1a5u s PRO 716 N -0.42 3.11 -0.05 1.61 0.02 -1.26 -4.77 135.00 133.23 1a5u s PRO 716 Ca 0.00 2.04 -0.19 0.00 0.02 0.00 0.00 61.00 62.87 1a5u s PRO 716 Cb 0.00 -2.14 0.04 0.00 0.02 0.00 0.00 34.50 32.42 1a5u s PRO 716 CO 0.00 -1.16 0.43 -1.21 -0.33 0.00 0.00 177.00 174.73 1a5u s GLU 717 N -3.04 0.74 -0.11 5.54 2.02 -1.26 -5.00 118.70 117.59 1a5u s GLU 717 Ca 0.73 0.08 0.02 0.00 0.02 0.00 0.00 54.97 55.82 1a5u s GLU 717 Cb -0.36 0.34 -0.01 0.00 0.10 0.00 0.00 34.13 34.20 1a5u s GLU 717 CO 0.41 -0.19 -0.17 0.42 0.02 0.00 0.00 175.26 175.74 1a5u s ILE 718 N -0.99 2.70 0.01 -1.63 1.01 -1.26 -4.87 121.20 116.18 1a5u s ILE 718 Ca -0.10 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 59.76 1a5u s ILE 718 Cb -0.04 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 1a5u s ILE 718 CO 0.05 0.54 -0.04 -0.13 0.00 0.00 0.00 174.94 175.37 1a5u s ARG 719 N 0.21 0.29 0.85 2.79 0.52 -1.26 -2.07 118.95 120.27 1a5u s ARG 719 Ca -0.11 -0.40 -0.09 0.00 -0.52 0.00 0.00 55.73 54.62 1a5u s ARG 719 Cb -0.16 -0.09 0.16 0.00 0.52 0.00 0.00 34.95 35.38 1a5u s ARG 719 CO 0.06 0.01 1.17 0.95 0.02 0.00 0.00 175.30 177.51 1a5u s THR 720 N -0.81 2.06 0.08 0.02 -4.23 -0.15 -1.07 115.64 111.55 1a5u s THR 720 Ca -0.07 -0.27 -0.01 0.00 -1.18 0.00 0.00 61.69 60.16 1a5u s THR 720 Cb -0.06 -2.79 0.02 0.00 1.34 0.00 0.00 72.50 71.01 1a5u s THR 720 CO -0.00 0.00 0.11 0.61 -0.54 0.00 0.00 174.62 174.80 1a5u n GLY 721 N -3.33 0.09 3.77 3.99 0.00 0.17 -3.37 105.19 106.51 1a5u n GLY 721 Ca 0.15 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.91 1a5u n GLY 721 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a5u s LEU 722 N 0.00 4.55 -0.33 0.99 1.43 -1.14 -0.48 118.68 123.69 1a5u s LEU 722 Ca 0.07 1.58 -0.25 0.00 -1.03 0.00 0.00 54.13 54.50 1a5u s LEU 722 Cb -0.00 -3.27 0.01 0.00 0.03 0.00 0.00 46.19 42.95 1a5u s LEU 722 CO 0.05 0.15 0.88 -0.63 0.23 0.00 0.00 176.35 177.02 1a5u s ILE 723 N -0.78 4.68 -1.36 -0.59 -1.09 -1.05 -1.97 121.20 119.03 1a5u s ILE 723 Ca 0.37 1.27 -0.01 0.00 -2.23 0.00 0.00 60.65 60.05 1a5u s ILE 723 Cb -0.22 -4.25 0.01 0.00 -1.58 0.00 0.00 42.46 36.41 1a5u s ILE 723 CO 0.25 -0.38 0.61 0.29 -1.23 0.00 0.00 174.94 174.48 1a5u n LYS 724 N 6.50 -4.34 -0.89 2.79 4.76 -0.99 -1.12 118.16 124.87 1a5u n LYS 724 Ca 0.06 0.54 -0.01 0.00 -2.87 0.00 0.00 58.31 56.03 1a5u n LYS 724 Cb 0.48 -4.96 -0.00 0.00 -1.84 0.00 0.00 35.03 28.70 1a5u n LYS 724 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a5u n GLY 725 N -1.72 0.11 3.43 0.72 0.00 0.95 -4.93 105.19 103.74 1a5u n GLY 725 Ca -0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 1a5u n GLY 725 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a5u s SER 726 N -1.75 3.64 0.11 1.61 0.15 -0.27 -5.02 113.70 112.16 1a5u s SER 726 Ca 0.00 -0.46 0.25 0.00 0.70 0.00 0.00 55.95 56.44 1a5u s SER 726 Cb 0.00 -0.54 0.45 0.00 -1.71 0.00 0.00 66.02 64.23 1a5u s SER 726 CO 0.00 0.26 1.41 0.61 1.20 0.00 0.00 173.24 176.72 1a5u n GLY 727 N 1.63 -1.43 0.18 9.45 0.00 -1.26 -2.52 105.19 111.23 1a5u n GLY 727 Ca -0.16 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 45.67 1a5u n GLY 727 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1a5u n THR 728 N -2.02 0.00 -1.57 2.61 -2.24 -1.26 -4.53 114.28 105.27 1a5u n THR 728 Ca 0.04 -0.37 -0.30 0.00 -2.27 0.00 0.00 64.05 61.15 1a5u n THR 728 Cb 0.42 1.09 0.08 0.00 -2.10 0.00 0.00 70.33 69.82 1a5u n THR 728 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u s ALA 729 N -1.49 2.41 0.04 6.98 0.00 -1.25 -4.96 121.76 123.50 1a5u s ALA 729 Ca 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.88 1a5u s ALA 729 Cb 0.08 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 20.05 1a5u s ALA 729 CO 0.29 -1.54 0.03 -1.21 0.00 0.00 0.00 175.76 173.32 1a5u s GLU 730 N -5.13 0.57 0.29 0.00 2.02 -1.26 -3.99 118.70 111.20 1a5u s GLU 730 Ca 0.60 -0.95 0.02 0.00 0.02 0.00 0.00 54.97 54.66 1a5u s GLU 730 Cb -0.14 0.21 -0.05 0.00 0.10 0.00 0.00 34.13 34.25 1a5u s GLU 730 CO 0.54 -0.12 0.09 0.08 0.02 0.00 0.00 175.26 175.86 1a5u s VAL 731 N -3.09 0.80 -0.17 2.63 1.01 -0.28 -4.92 120.40 116.38 1a5u s VAL 731 Ca -0.01 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 59.98 1a5u s VAL 731 Cb 0.02 -2.69 0.03 0.00 0.00 0.00 0.00 36.38 33.75 1a5u s VAL 731 CO -0.07 0.00 -0.11 -0.70 0.00 0.00 0.00 175.10 174.22 1a5u s GLU 732 N -3.96 2.08 0.10 2.72 2.12 -1.26 0.10 118.70 120.60 1a5u s GLU 732 Ca 0.37 -0.69 -0.22 0.00 0.36 0.00 0.00 54.97 54.78 1a5u s GLU 732 Cb 0.08 -2.24 -0.07 0.00 0.26 0.00 0.00 34.13 32.15 1a5u s GLU 732 CO 0.15 -0.35 0.66 -0.51 -0.54 0.00 0.00 175.26 174.67 1a5u s LEU 733 N 1.46 4.54 -0.07 2.70 1.43 0.81 -4.92 118.68 124.62 1a5u s LEU 733 Ca 0.01 1.41 0.04 0.00 -1.03 0.00 0.00 54.13 54.56 1a5u s LEU 733 Cb -0.15 -3.07 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 1a5u s LEU 733 CO -0.09 0.22 -0.18 -0.54 0.23 0.00 0.00 176.35 176.00 1a5u s LYS 734 N -1.00 2.72 0.17 1.70 1.02 -1.26 -0.96 119.74 122.11 1a5u s LYS 734 Ca 0.32 -0.77 -0.34 0.00 0.02 0.00 0.00 55.97 55.21 1a5u s LYS 734 Cb -0.21 -2.36 -0.14 0.00 -0.52 0.00 0.00 37.83 34.60 1a5u s LYS 734 CO 0.22 0.45 1.55 1.17 -0.92 0.00 0.00 175.35 177.82 1a5u n LYS 735 N 2.80 2.09 0.00 1.68 4.81 -1.26 -1.29 118.16 127.00 1a5u n LYS 735 Ca -0.17 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 1a5u n LYS 735 Cb 0.52 -2.50 0.00 0.00 0.02 0.00 0.00 35.03 33.07 1a5u n LYS 735 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1a5u n GLY 736 N 3.23 2.72 3.81 3.14 0.00 0.14 -4.98 105.19 113.24 1a5u n GLY 736 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1a5u n GLY 736 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 737 N -2.77 2.23 -0.06 4.61 0.00 -0.41 -4.67 121.76 120.68 1a5u s ALA 737 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 51.96 51.67 1a5u s ALA 737 Cb 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 23.12 19.98 1a5u s ALA 737 CO 0.00 -1.76 0.17 0.99 0.00 0.00 0.00 175.76 175.15 1a5u s THR 738 N -3.18 5.47 -0.07 0.00 2.01 -1.26 -0.10 115.64 118.51 1a5u s THR 738 Ca 0.61 0.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.61 1a5u s THR 738 Cb -0.14 -3.48 0.04 0.00 0.01 0.00 0.00 72.50 68.93 1a5u s THR 738 CO 0.54 0.47 0.16 -0.22 -0.69 0.00 0.00 174.62 174.88 1a5u s LEU 739 N -1.49 0.75 -0.22 4.42 2.96 0.21 -4.78 118.68 120.53 1a5u s LEU 739 Ca 0.21 0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 54.36 1a5u s LEU 739 Cb -0.12 0.43 -0.05 0.00 0.50 0.00 0.00 46.19 46.95 1a5u s LEU 739 CO 0.12 -0.14 0.14 -0.75 -1.32 0.00 0.00 176.35 174.39 1a5u s LYS 740 N 1.07 4.08 -0.19 1.98 2.20 0.69 0.32 119.74 129.90 1a5u s LYS 740 Ca -0.08 -0.27 -0.09 0.00 -0.36 0.00 0.00 55.97 55.17 1a5u s LYS 740 Cb -0.10 -3.45 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 1a5u s LYS 740 CO -0.06 0.16 0.11 0.42 -0.36 0.00 0.00 175.35 175.62 1a5u s ILE 741 N 0.77 5.22 0.14 5.43 1.01 0.19 0.26 121.20 134.22 1a5u s ILE 741 Ca 0.07 0.12 0.07 0.00 0.00 0.00 0.00 60.65 60.91 1a5u s ILE 741 Cb -0.13 -3.37 -0.04 0.00 0.01 0.00 0.00 42.46 38.94 1a5u s ILE 741 CO 0.02 0.46 -0.16 0.42 0.00 0.00 0.00 174.94 175.68 1a5u s THR 742 N 0.26 1.54 -1.13 2.92 -4.23 -0.29 -0.18 115.64 114.52 1a5u s THR 742 Ca 0.07 -1.82 0.13 0.00 -1.18 0.00 0.00 61.69 58.88 1a5u s THR 742 Cb -0.11 -1.68 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 1a5u s THR 742 CO -0.01 -0.39 0.72 0.18 -0.54 0.00 0.00 174.62 174.58 1a5u n LEU 743 N 0.39 1.36 -4.56 4.79 4.77 -0.27 -3.38 117.00 120.10 1a5u n LEU 743 Ca -0.14 -0.76 -0.38 0.00 -0.03 0.00 0.00 56.01 54.70 1a5u n LEU 743 Cb 0.57 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.63 1a5u n LEU 743 CO 0.28 0.27 1.76 -0.62 -1.33 0.00 0.00 177.39 177.76 1a5u s ASP 744 N -1.60 5.02 0.00 -1.43 2.15 -1.26 -4.82 116.67 114.74 1a5u s ASP 744 Ca 0.10 0.77 0.00 0.00 0.43 0.00 0.00 52.55 53.85 1a5u s ASP 744 Cb 0.10 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1a5u s ASP 744 CO 0.32 -2.49 0.66 0.59 -0.17 0.00 0.00 175.17 174.09 1a5u n ASN 745 N 13.67 0.00 0.26 -0.34 5.03 -1.26 -0.14 115.26 132.48 1a5u n ASN 745 Ca 0.27 0.22 0.12 0.00 0.87 0.00 0.00 54.58 56.06 1a5u n ASN 745 Cb 0.52 -0.22 0.73 0.00 -1.02 0.00 0.00 39.78 39.79 1a5u n ASN 745 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1a5u h ALA 746 N 1.41 1.36 -0.35 5.41 0.00 -2.00 -2.06 119.26 123.03 1a5u h ALA 746 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1a5u h ALA 746 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1a5u h ALA 746 CO 0.00 0.14 0.00 0.66 0.00 0.00 0.00 179.25 180.05 1a5u n TYR 747 N -3.74 0.47 0.24 0.00 4.02 0.80 -4.63 117.16 114.32 1a5u n TYR 747 Ca -0.02 -0.45 0.12 0.00 -0.01 0.00 0.00 57.90 57.55 1a5u n TYR 747 Cb 0.22 -0.02 0.66 0.00 -0.02 0.00 0.00 39.34 40.18 1a5u n TYR 747 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 1a5u h MET 748 N 2.32 0.00 0.00 -0.72 1.85 -1.47 -0.24 114.93 116.67 1a5u h MET 748 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1a5u h MET 748 Cb 0.74 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.77 1a5u h MET 748 CO 0.00 0.00 -0.19 0.39 -0.40 0.00 0.00 176.91 176.71 1a5u n GLU 749 N -2.49 0.83 -0.75 0.39 1.02 -1.26 -2.90 120.64 115.47 1a5u n GLU 749 Ca -0.02 -1.50 0.01 0.00 -0.02 0.00 0.00 57.16 55.64 1a5u n GLU 749 Cb 0.25 -0.89 0.19 0.00 -0.02 0.00 0.00 31.44 30.97 1a5u n GLU 749 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1a5u n LYS 750 N -0.53 1.79 -2.06 3.49 5.02 -0.10 -0.04 118.16 125.73 1a5u n LYS 750 Ca 0.05 -3.35 -0.39 0.00 -2.02 0.00 0.00 58.31 52.60 1a5u n LYS 750 Cb 0.59 -1.71 -0.00 0.00 -0.02 0.00 0.00 35.03 33.88 1a5u n LYS 750 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a5u n ASP 752 N 0.00 -0.57 0.24 0.00 5.68 0.17 -2.35 116.55 119.72 1a5u n ASP 752 Ca 0.04 -1.38 0.14 0.00 -0.50 0.00 0.00 54.79 53.09 1a5u n ASP 752 Cb 0.44 0.95 0.72 0.00 -1.14 0.00 0.00 41.12 42.09 1a5u n ASP 752 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1a5u h GLU 753 N 0.00 0.00 0.00 0.11 9.09 -1.94 -2.72 114.58 119.11 1a5u h GLU 753 Ca -0.08 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.24 1a5u h GLU 753 Cb 0.32 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.40 1a5u h GLU 753 CO 0.11 0.00 -1.34 0.09 0.05 0.00 0.00 179.01 177.91 1a5u n ASN 754 N -2.51 3.76 -4.07 3.06 4.13 -1.26 -4.79 115.26 113.57 1a5u n ASN 754 Ca -0.02 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 55.97 1a5u n ASN 754 Cb 0.17 0.64 -0.17 0.00 -1.54 0.00 0.00 39.78 38.88 1a5u n ASN 754 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1a5u s ILE 755 N -2.13 1.42 -0.13 2.41 1.01 -1.03 -0.22 121.20 122.54 1a5u s ILE 755 Ca -0.02 -0.63 0.02 0.00 0.00 0.00 0.00 60.65 60.01 1a5u s ILE 755 Cb 0.02 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 41.22 1a5u s ILE 755 CO 0.21 0.42 -0.18 -0.22 0.00 0.00 0.00 174.94 175.17 1a5u s LEU 756 N 0.68 1.89 -0.05 2.97 0.20 0.14 0.46 118.68 124.98 1a5u s LEU 756 Ca -0.14 -0.51 -0.01 0.00 0.69 0.00 0.00 54.13 54.17 1a5u s LEU 756 Cb -0.16 -1.26 -0.03 0.00 -0.43 0.00 0.00 46.19 44.31 1a5u s LEU 756 CO 0.04 0.04 0.01 0.86 -0.29 0.00 0.00 176.35 177.00 1a5u s TRP 757 N 0.97 3.15 0.14 5.38 -0.00 -1.26 -1.14 118.94 126.17 1a5u s TRP 757 Ca -0.05 0.16 0.03 0.00 -0.00 0.00 0.00 56.10 56.23 1a5u s TRP 757 Cb -0.15 -1.74 -0.04 0.00 -0.00 0.00 0.00 33.47 31.54 1a5u s TRP 757 CO -0.03 0.48 -0.07 -0.51 -0.00 0.00 0.00 176.95 176.82 1a5u s LEU 758 N -1.23 2.45 0.38 5.86 1.43 -1.22 0.44 118.68 126.78 1a5u s LEU 758 Ca 0.17 -1.04 0.12 0.00 -1.03 0.00 0.00 54.13 52.34 1a5u s LEU 758 Cb -0.11 -0.20 0.75 0.00 0.03 0.00 0.00 46.19 46.65 1a5u s LEU 758 CO 0.07 -0.42 1.86 0.44 0.23 0.00 0.00 176.35 178.52 1a5u h ASP 759 N 2.82 0.06 -2.23 2.29 3.32 -1.42 -3.44 116.42 117.82 1a5u h ASP 759 Ca -0.36 -0.02 -0.64 0.00 0.02 0.00 0.00 57.03 56.03 1a5u h ASP 759 Cb 1.19 -0.02 -0.15 0.00 0.22 0.00 0.00 39.33 40.57 1a5u h ASP 759 CO 0.64 0.37 0.89 -0.47 -1.72 0.00 0.00 179.24 178.95 1a5u s TYR 760 N -4.35 2.81 0.50 4.55 5.04 -1.26 -4.89 117.35 119.75 1a5u s TYR 760 Ca -0.04 -0.94 0.20 0.00 -2.44 0.00 0.00 57.07 53.86 1a5u s TYR 760 Cb 0.15 -4.39 1.27 0.00 0.35 0.00 0.00 41.96 39.34 1a5u s TYR 760 CO 0.73 -1.67 2.03 0.87 -1.34 0.00 0.00 175.55 176.17 1a5u h LYS 761 N 9.33 0.11 -0.22 4.97 1.57 -1.96 -2.40 116.57 127.97 1a5u h LYS 761 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1a5u h LYS 761 Cb 1.04 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1a5u h LYS 761 CO 1.20 0.07 0.00 0.09 -0.57 0.00 0.00 179.45 180.24 1a5u n ASN 762 N -4.44 2.05 -0.31 0.86 3.02 -1.26 -4.64 115.26 110.54 1a5u n ASN 762 Ca 0.07 -1.78 -0.05 0.00 -0.03 0.00 0.00 54.58 52.79 1a5u n ASN 762 Cb 0.42 -0.14 -0.02 0.00 -0.61 0.00 0.00 39.78 39.43 1a5u n ASN 762 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a5u n ILE 763 N 0.58 -0.47 0.27 2.41 3.06 -0.90 -0.43 119.36 123.89 1a5u n ILE 763 Ca 0.17 1.84 0.18 0.00 -2.50 0.00 0.00 62.75 62.44 1a5u n ILE 763 Cb 0.39 -2.35 0.94 0.00 0.54 0.00 0.00 39.64 39.16 1a5u n ILE 763 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1a5u h LYS 765 N 0.00 0.38 -0.00 0.00 1.57 -1.09 -3.34 116.57 114.08 1a5u h LYS 765 Ca 0.04 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1a5u h LYS 765 Cb 0.37 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1a5u h LYS 765 CO -0.00 0.94 -0.83 1.33 -0.57 0.00 0.00 179.45 180.32 1a5u n VAL 766 N -3.84 0.00 -4.18 0.50 0.24 -0.37 -4.97 118.33 105.71 1a5u n VAL 766 Ca -0.04 -0.08 -0.31 0.00 -2.04 0.00 0.00 64.34 61.87 1a5u n VAL 766 Cb 0.69 1.07 -0.08 0.00 -1.47 0.00 0.00 33.84 34.05 1a5u n VAL 766 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1a5u s VAL 767 N -2.80 4.12 0.21 3.34 -7.23 -0.79 -4.41 120.40 112.83 1a5u s VAL 767 Ca 0.11 -0.82 0.12 0.00 -1.81 0.00 0.00 61.98 59.57 1a5u s VAL 767 Cb 0.16 -2.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.14 1a5u s VAL 767 CO 0.77 0.22 -0.23 -1.81 -0.31 0.00 0.00 175.10 173.73 1a5u s ASP 768 N -2.03 3.46 0.21 4.85 1.11 -1.26 -4.88 116.67 118.13 1a5u s ASP 768 Ca 0.24 -0.90 -0.32 0.00 0.18 0.00 0.00 52.55 51.74 1a5u s ASP 768 Cb -0.12 -0.26 -0.13 0.00 1.07 0.00 0.00 42.92 43.48 1a5u s ASP 768 CO 0.16 0.10 1.52 0.52 1.18 0.00 0.00 175.17 178.65 1a5u n VAL 769 N 0.07 0.53 -0.44 -1.27 0.31 -1.26 0.22 118.33 116.49 1a5u n VAL 769 Ca -0.11 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1a5u n VAL 769 Cb 0.57 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 1a5u n VAL 769 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a5u n GLY 770 N 2.76 0.76 3.99 2.92 0.00 0.14 -5.00 105.19 110.77 1a5u n GLY 770 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 1a5u n GLY 770 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5u s SER 771 N -2.29 5.74 0.05 1.61 0.01 0.13 -4.78 113.70 114.17 1a5u s SER 771 Ca 0.00 -0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.09 1a5u s SER 771 Cb 0.00 -0.98 -0.04 0.00 0.21 0.00 0.00 66.02 65.21 1a5u s SER 771 CO 0.00 -0.69 -0.03 -0.54 0.41 0.00 0.00 173.24 172.39 1a5u s LYS 772 N -4.36 2.53 -0.12 12.44 -0.14 -1.26 -0.54 119.74 128.30 1a5u s LYS 772 Ca 0.51 -0.79 0.02 0.00 -1.36 0.00 0.00 55.97 54.35 1a5u s LYS 772 Cb -0.10 -2.52 -0.01 0.00 -1.68 0.00 0.00 37.83 33.52 1a5u s LYS 772 CO 0.33 0.57 -0.18 0.08 -0.76 0.00 0.00 175.35 175.40 1a5u s VAL 773 N -1.17 2.64 -0.10 3.17 1.01 0.11 -4.06 120.40 122.01 1a5u s VAL 773 Ca 0.22 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1a5u s VAL 773 Cb -0.11 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1a5u s VAL 773 CO 0.13 0.54 -0.11 -0.31 0.00 0.00 0.00 175.10 175.35 1a5u s TYR 774 N 0.34 2.84 0.02 5.22 2.02 -0.80 0.12 117.35 127.11 1a5u s TYR 774 Ca -0.14 -0.35 0.07 0.00 -0.37 0.00 0.00 57.07 56.27 1a5u s TYR 774 Cb -0.17 -1.78 -0.02 0.00 -0.40 0.00 0.00 41.96 39.59 1a5u s TYR 774 CO 0.07 0.01 -0.21 0.08 -1.57 0.00 0.00 175.55 173.93 1a5u s VAL 775 N -0.13 1.65 -0.75 0.71 1.01 0.30 -1.32 120.40 121.87 1a5u s VAL 775 Ca -0.00 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 1a5u s VAL 775 Cb -0.13 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1a5u s VAL 775 CO 0.03 0.32 0.67 -0.67 0.00 0.00 0.00 175.10 175.45 1a5u n ASP 776 N 2.16 -6.07 -3.56 3.32 -0.08 0.83 0.37 116.55 113.53 1a5u n ASP 776 Ca -0.16 -0.39 -0.25 0.00 -1.51 0.00 0.00 54.79 52.49 1a5u n ASP 776 Cb 0.53 -4.35 0.06 0.00 2.34 0.00 0.00 41.12 39.71 1a5u n ASP 776 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 1a5u n ASP 777 N -2.43 -6.11 0.00 1.67 8.00 -1.26 -1.25 116.55 115.17 1a5u n ASP 777 Ca -0.04 -0.54 0.00 0.00 0.71 0.00 0.00 54.79 54.93 1a5u n ASP 777 Cb 0.56 -4.83 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 1a5u n ASP 777 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5u n GLY 778 N -1.89 0.50 0.27 0.44 0.00 -1.23 -4.81 105.19 98.47 1a5u n GLY 778 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.02 1a5u n GLY 778 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1a5u h LEU 779 N 0.00 0.56 -8.89 0.99 3.38 -0.90 -3.38 115.31 107.07 1a5u h LEU 779 Ca 0.00 0.04 -0.65 0.00 0.09 0.00 0.00 57.88 57.36 1a5u h LEU 779 Cb 0.03 -0.06 -0.21 0.00 0.09 0.00 0.00 40.66 40.50 1a5u h LEU 779 CO 0.00 0.34 -0.68 -0.63 0.09 0.00 0.00 178.44 177.55 1a5u s ILE 780 N -6.07 3.78 -0.05 1.22 1.01 0.16 -4.82 121.20 116.43 1a5u s ILE 780 Ca -0.13 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.16 1a5u s ILE 780 Cb 0.18 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 1a5u s ILE 780 CO 0.77 0.52 -0.18 -0.55 0.00 0.00 0.00 174.94 175.50 1a5u s SER 781 N 0.06 3.68 0.01 3.58 0.15 -1.05 0.11 113.70 120.25 1a5u s SER 781 Ca -0.01 -0.31 0.04 0.00 0.70 0.00 0.00 55.95 56.38 1a5u s SER 781 Cb -0.14 -0.77 -0.01 0.00 -1.71 0.00 0.00 66.02 63.39 1a5u s SER 781 CO 0.03 0.32 -0.13 -0.76 1.20 0.00 0.00 173.24 173.89 1a5u s LEU 782 N -0.57 2.09 -0.20 3.45 1.02 0.33 -2.25 118.68 122.55 1a5u s LEU 782 Ca 0.08 -0.33 -0.02 0.00 0.02 0.00 0.00 54.13 53.88 1a5u s LEU 782 Cb -0.11 -0.64 -0.00 0.00 0.02 0.00 0.00 46.19 45.46 1a5u s LEU 782 CO 0.01 0.10 -0.09 -1.58 0.02 0.00 0.00 176.35 174.81 1a5u s GLN 783 N -0.66 3.27 -0.05 1.70 0.74 -0.44 0.07 119.66 124.29 1a5u s GLN 783 Ca 0.03 -0.69 -0.30 0.00 0.05 0.00 0.00 55.36 54.46 1a5u s GLN 783 Cb -0.06 -2.85 -0.06 0.00 1.10 0.00 0.00 33.01 31.13 1a5u s GLN 783 CO 0.00 -0.17 1.74 0.08 -0.55 0.00 0.00 175.29 176.39 1a5u s VAL 784 N 1.34 3.44 -0.08 1.34 1.01 0.30 -0.79 120.40 126.96 1a5u s VAL 784 Ca 0.04 0.53 0.08 0.00 0.00 0.00 0.00 61.98 62.64 1a5u s VAL 784 Cb -0.14 -3.36 -0.12 0.00 0.00 0.00 0.00 36.38 32.77 1a5u s VAL 784 CO -0.05 -0.06 0.05 0.29 0.00 0.00 0.00 175.10 175.33 1a5u n LYS 785 N 7.30 2.31 -3.80 2.72 5.02 0.12 0.26 118.16 132.08 1a5u n LYS 785 Ca 0.18 -0.01 -0.13 0.00 -2.02 0.00 0.00 58.31 56.33 1a5u n LYS 785 Cb 0.43 -1.23 -0.12 0.00 -0.02 0.00 0.00 35.03 34.08 1a5u n LYS 785 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1a5u s GLN 786 N -2.26 0.22 -0.09 1.97 -0.21 -0.76 -4.88 119.66 113.64 1a5u s GLN 786 Ca -0.04 0.27 0.03 0.00 0.02 0.00 0.00 55.36 55.64 1a5u s GLN 786 Cb 0.03 0.10 0.01 0.00 1.00 0.00 0.00 33.01 34.15 1a5u s GLN 786 CO 0.37 -0.03 -0.18 0.21 -2.12 0.00 0.00 175.29 173.54 1a5u s LYS 787 N 0.13 2.43 0.11 2.91 2.20 -1.26 -0.10 119.74 126.15 1a5u s LYS 787 Ca -0.00 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 1a5u s LYS 787 Cb -0.02 -1.93 -0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1a5u s LYS 787 CO 0.00 0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 1a5u n GLY 788 N 3.82 4.05 0.44 5.54 0.00 0.01 -5.01 105.19 114.03 1a5u n GLY 788 Ca -0.20 -2.21 0.14 0.00 0.00 0.00 0.00 46.02 43.74 1a5u n GLY 788 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a5u n PRO 789 N -0.27 1.54 0.00 1.61 -0.02 -1.26 -4.02 135.00 132.58 1a5u n PRO 789 Ca -0.04 -0.89 0.00 0.00 -2.02 0.00 0.00 63.50 60.55 1a5u n PRO 789 Cb 0.14 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1a5u n PRO 789 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1a5u n ASP 790 N 0.04 0.00 -3.65 2.55 -0.08 -1.26 -4.93 116.55 109.23 1a5u n ASP 790 Ca 0.18 -0.29 -0.10 0.00 -1.51 0.00 0.00 54.79 53.08 1a5u n ASP 790 Cb 0.35 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.78 1a5u n ASP 790 CO 0.00 0.00 0.00 0.72 0.12 0.00 0.00 177.20 178.04 1a5u s PHE 791 N 0.00 -0.30 0.01 -0.67 -0.71 -1.26 -1.12 117.98 113.93 1a5u s PHE 791 Ca 0.00 -0.02 0.06 0.00 -1.04 0.00 0.00 56.93 55.93 1a5u s PHE 791 Cb 0.00 0.55 -0.02 0.00 -1.21 0.00 0.00 43.02 42.34 1a5u s PHE 791 CO 0.00 -0.98 -0.17 -0.51 -1.34 0.00 0.00 175.22 172.22 1a5u s LEU 792 N -2.84 2.10 -0.25 -1.99 1.43 0.74 -0.81 118.68 117.06 1a5u s LEU 792 Ca 0.06 -0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 52.72 1a5u s LEU 792 Cb -0.02 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.34 1a5u s LEU 792 CO -0.04 0.16 0.02 -0.69 0.23 0.00 0.00 176.35 176.03 1a5u s VAL 793 N -0.59 3.79 0.40 -1.59 1.01 0.85 0.54 120.40 124.81 1a5u s VAL 793 Ca 0.06 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.61 1a5u s VAL 793 Cb -0.07 -2.81 -0.07 0.00 0.00 0.00 0.00 36.38 33.43 1a5u s VAL 793 CO 0.00 0.29 0.02 0.42 0.00 0.00 0.00 175.10 175.84 1a5u s THR 794 N 1.52 1.65 -0.13 3.92 -4.23 0.15 0.11 115.64 118.63 1a5u s THR 794 Ca 0.05 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 1a5u s THR 794 Cb -0.15 -2.82 0.02 0.00 1.34 0.00 0.00 72.50 70.89 1a5u s THR 794 CO 0.00 0.00 -0.16 -0.70 -0.54 0.00 0.00 174.62 173.22 1a5u s GLU 795 N -3.77 2.38 0.08 3.99 2.12 0.03 -0.62 118.70 122.91 1a5u s GLU 795 Ca 0.31 -0.61 -0.31 0.00 0.36 0.00 0.00 54.97 54.73 1a5u s GLU 795 Cb 0.08 -2.07 -0.09 0.00 0.26 0.00 0.00 34.13 32.32 1a5u s GLU 795 CO 0.15 -0.13 1.75 0.08 -0.54 0.00 0.00 175.26 176.58 1a5u s VAL 796 N 1.17 2.84 -0.21 3.70 1.01 0.86 -1.33 120.40 128.44 1a5u s VAL 796 Ca -0.02 0.28 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 1a5u s VAL 796 Cb -0.14 -3.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 1a5u s VAL 796 CO -0.06 -0.00 -0.28 -0.62 0.00 0.00 0.00 175.10 174.14 1a5u n GLU 797 N 5.83 0.46 -3.71 2.72 1.02 -0.95 0.27 120.64 126.27 1a5u n GLU 797 Ca 0.17 0.20 -0.37 0.00 -0.02 0.00 0.00 57.16 57.13 1a5u n GLU 797 Cb 0.40 -1.27 -0.11 0.00 -0.02 0.00 0.00 31.44 30.44 1a5u n GLU 797 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1a5u s ASN 798 N -6.86 5.38 1.04 1.62 0.02 -1.11 -4.65 114.94 110.39 1a5u s ASN 798 Ca -0.30 -2.01 -0.03 0.00 -1.02 0.00 0.00 52.86 49.51 1a5u s ASN 798 Cb 0.11 -1.88 0.05 0.00 0.02 0.00 0.00 41.25 39.54 1a5u s ASN 798 CO 0.38 -0.59 0.15 0.61 0.02 0.00 0.00 177.10 177.67 1a5u n GLY 799 N 4.67 -2.67 0.00 0.66 0.00 -1.26 -2.53 105.19 104.06 1a5u n GLY 799 Ca -0.04 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1a5u n GLY 799 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a5u n GLY 800 N 1.12 0.95 3.74 -0.02 0.00 -0.14 -4.71 105.19 106.13 1a5u n GLY 800 Ca 0.02 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.73 1a5u n GLY 800 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a5u s PHE 801 N -1.08 3.86 -0.18 1.61 0.08 -1.25 0.28 117.98 121.29 1a5u s PHE 801 Ca 0.00 1.79 -0.04 0.00 0.12 0.00 0.00 56.93 58.81 1a5u s PHE 801 Cb 0.00 -2.99 -0.02 0.00 -0.57 0.00 0.00 43.02 39.44 1a5u s PHE 801 CO 0.00 0.30 -0.04 -1.17 -0.10 0.00 0.00 175.22 174.21 1a5u s LEU 802 N -0.40 3.06 0.00 -0.37 2.96 0.28 -4.88 118.68 119.33 1a5u s LEU 802 Ca 0.44 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1a5u s LEU 802 Cb -0.24 -1.76 0.04 0.00 0.50 0.00 0.00 46.19 44.73 1a5u s LEU 802 CO 0.30 0.08 0.28 0.61 -1.32 0.00 0.00 176.35 176.29 1a5u n GLY 803 N 4.12 1.50 3.91 7.98 0.00 -1.26 -1.12 105.19 120.32 1a5u n GLY 803 Ca -0.18 -2.09 -0.28 0.00 0.00 0.00 0.00 46.02 43.47 1a5u n GLY 803 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a5u s SER 804 N -2.19 6.43 -1.36 1.61 0.01 -1.26 -4.58 113.70 112.36 1a5u s SER 804 Ca 0.20 0.58 -0.05 0.00 1.31 0.00 0.00 55.95 57.99 1a5u s SER 804 Cb -0.01 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.13 1a5u s SER 804 CO 0.13 -0.12 0.47 0.29 0.41 0.00 0.00 173.24 174.42 1a5u n LYS 805 N -0.75 -2.72 -3.42 12.44 5.02 0.37 -4.95 118.16 124.14 1a5u n LYS 805 Ca -0.03 0.38 -0.28 0.00 -2.02 0.00 0.00 58.31 56.36 1a5u n LYS 805 Cb 0.54 -4.33 -0.03 0.00 -0.02 0.00 0.00 35.03 31.19 1a5u n LYS 805 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1a5u s LYS 806 N -6.54 3.61 0.49 1.97 -0.14 -1.26 -4.66 119.74 113.21 1a5u s LYS 806 Ca 0.10 -0.06 -0.20 0.00 -1.36 0.00 0.00 55.97 54.45 1a5u s LYS 806 Cb -0.04 -2.69 -0.08 0.00 -1.68 0.00 0.00 37.83 33.34 1a5u s LYS 806 CO 0.89 0.26 1.01 0.20 -0.76 0.00 0.00 175.35 176.96 1a5u s GLY 807 N -3.12 2.40 0.11 -3.33 0.00 -1.26 -0.98 107.32 101.13 1a5u s GLY 807 Ca 0.43 0.49 0.10 0.00 0.00 0.00 0.00 44.72 45.74 1a5u s GLY 807 CO 0.29 0.80 -0.26 0.14 0.00 0.00 0.00 173.10 174.07 1a5u s VAL 808 N -2.14 2.29 -0.01 1.40 1.01 -0.88 -0.12 120.40 121.95 1a5u s VAL 808 Ca 0.65 -1.64 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1a5u s VAL 808 Cb -0.14 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1a5u s VAL 808 CO 0.21 0.16 -0.02 0.20 0.00 0.00 0.00 175.10 175.65 1a5u s ASN 809 N -1.85 0.43 -0.78 3.32 0.01 -0.44 -4.54 114.94 111.10 1a5u s ASN 809 Ca 0.14 -0.05 0.03 0.00 -0.71 0.00 0.00 52.86 52.26 1a5u s ASN 809 Cb -0.10 -0.13 0.19 0.00 0.41 0.00 0.00 41.25 41.62 1a5u s ASN 809 CO 0.05 -0.01 0.62 0.18 -1.51 0.00 0.00 177.10 176.43 1a5u n LEU 810 N 3.46 3.50 -4.66 0.60 4.32 -1.26 -1.90 117.00 121.06 1a5u n LEU 810 Ca -0.19 -5.20 -0.50 0.00 -0.02 0.00 0.00 56.01 50.11 1a5u n LEU 810 Cb 0.55 -0.87 -0.05 0.00 -1.62 0.00 0.00 43.42 41.43 1a5u n LEU 810 CO 0.24 1.71 1.24 -0.81 -1.22 0.00 0.00 177.39 178.55 1a5u n PRO 811 N 2.00 1.78 -0.93 3.23 -0.04 -1.26 -1.29 135.00 138.50 1a5u n PRO 811 Ca 0.21 0.65 0.00 0.00 -0.04 0.00 0.00 63.50 64.32 1a5u n PRO 811 Cb 0.36 -2.40 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 1a5u n PRO 811 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a5u n GLY 812 N 3.64 0.52 3.80 0.55 0.00 -1.26 -4.67 105.19 107.77 1a5u n GLY 812 Ca 0.20 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1a5u n GLY 812 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 813 N -2.00 3.60 -1.14 4.61 0.00 -0.41 -5.00 121.76 121.42 1a5u s ALA 813 Ca 0.00 -0.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.77 1a5u s ALA 813 Cb 0.00 -2.56 0.26 0.00 0.00 0.00 0.00 23.12 20.82 1a5u s ALA 813 CO 0.00 0.35 1.18 0.00 0.00 0.00 0.00 175.76 177.29 1a5u s ALA 814 N -0.77 4.61 0.16 0.00 0.00 -1.26 -4.79 121.76 119.72 1a5u s ALA 814 Ca 0.27 -3.77 -0.32 0.00 0.00 0.00 0.00 51.96 48.15 1a5u s ALA 814 Cb -0.18 -3.68 -0.10 0.00 0.00 0.00 0.00 23.12 19.16 1a5u s ALA 814 CO 0.16 -2.31 1.63 0.14 0.00 0.00 0.00 175.76 175.37 1a5u s VAL 815 N -0.74 2.52 -1.10 0.00 -7.23 -1.26 -4.87 120.40 107.71 1a5u s VAL 815 Ca 0.33 0.33 0.09 0.00 -1.81 0.00 0.00 61.98 60.92 1a5u s VAL 815 Cb -0.09 -3.21 0.40 0.00 0.56 0.00 0.00 36.38 34.04 1a5u s VAL 815 CO -0.06 0.02 1.20 -0.90 -0.31 0.00 0.00 175.10 175.04 1a5u n ASP 816 N 4.23 2.96 -4.77 4.85 5.68 -1.26 -4.91 116.55 123.32 1a5u n ASP 816 Ca 0.15 -2.31 -0.36 0.00 -0.50 0.00 0.00 54.79 51.77 1a5u n ASP 816 Cb 0.38 -0.48 -0.01 0.00 -1.14 0.00 0.00 41.12 39.88 1a5u n ASP 816 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 1a5u s LEU 817 N -1.28 3.85 0.65 -2.12 1.02 -1.26 -4.94 118.68 114.60 1a5u s LEU 817 Ca 0.27 2.19 -0.18 0.00 0.02 0.00 0.00 54.13 56.44 1a5u s LEU 817 Cb 0.19 -4.47 -0.01 0.00 0.02 0.00 0.00 46.19 41.92 1a5u s LEU 817 CO 0.11 -1.08 1.25 -2.16 0.02 0.00 0.00 176.35 174.50 1a5u s PRO 818 N -3.08 2.58 0.25 1.29 0.04 -1.26 -4.89 135.00 129.92 1a5u s PRO 818 Ca 0.69 1.93 -0.03 0.00 0.04 0.00 0.00 61.00 63.63 1a5u s PRO 818 Cb -0.25 -1.87 0.47 0.00 0.04 0.00 0.00 34.50 32.90 1a5u s PRO 818 CO 0.29 -1.54 1.77 0.00 0.04 0.00 0.00 177.00 177.56 1a5u h ALA 819 N 0.46 1.19 -3.39 8.56 0.00 -1.92 -3.41 119.26 120.75 1a5u h ALA 819 Ca -0.50 0.07 -0.57 0.00 0.00 0.00 0.00 54.91 53.91 1a5u h ALA 819 Cb 1.32 -0.03 -0.33 0.00 0.00 0.00 0.00 17.79 18.74 1a5u h ALA 819 CO 0.53 -0.06 -0.84 0.14 0.00 0.00 0.00 179.25 179.02 1a5u s VAL 820 N -6.00 1.43 1.08 0.00 -7.23 -1.26 -4.64 120.40 103.78 1a5u s VAL 820 Ca -0.12 -0.65 -0.16 0.00 -1.81 0.00 0.00 61.98 59.23 1a5u s VAL 820 Cb 0.21 -1.28 0.23 0.00 0.56 0.00 0.00 36.38 36.10 1a5u s VAL 820 CO 0.78 0.42 1.15 -0.94 -0.31 0.00 0.00 175.10 176.20 1a5u s SER 821 N 0.57 1.99 0.19 4.85 1.04 -1.26 -4.80 113.70 116.28 1a5u s SER 821 Ca -0.16 0.69 -0.08 0.00 0.48 0.00 0.00 55.95 56.88 1a5u s SER 821 Cb -0.16 -1.01 0.10 0.00 0.10 0.00 0.00 66.02 65.04 1a5u s SER 821 CO 0.05 -3.47 1.63 -0.08 0.98 0.00 0.00 173.24 172.35 1a5u h GLU 822 N -2.13 0.99 -0.69 4.02 4.81 -1.98 -1.48 114.58 118.12 1a5u h GLU 822 Ca -0.47 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 58.42 1a5u h GLU 822 Cb 1.29 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.57 1a5u h GLU 822 CO 0.43 1.03 0.45 -0.22 -0.73 0.00 0.00 179.01 179.97 1a5u h LYS 823 N 0.89 0.89 0.17 1.92 3.64 -1.98 -2.27 116.57 119.83 1a5u h LYS 823 Ca 0.14 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1a5u h LYS 823 Cb 0.64 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1a5u h LYS 823 CO 0.04 0.59 -0.51 -0.44 -2.27 0.00 0.00 179.45 176.86 1a5u h ASP 824 N 0.91 -1.50 -0.87 4.20 3.32 -1.72 -0.09 116.42 120.67 1a5u h ASP 824 Ca 0.26 0.16 0.23 0.00 0.02 0.00 0.00 57.03 57.69 1a5u h ASP 824 Cb -0.08 0.55 -0.15 0.00 0.22 0.00 0.00 39.33 39.87 1a5u h ASP 824 CO -0.07 -0.56 0.11 0.40 -1.72 0.00 0.00 179.24 177.40 1a5u h ILE 825 N -0.77 0.24 -0.63 0.35 2.04 -0.92 0.26 117.51 118.09 1a5u h ILE 825 Ca -0.01 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1a5u h ILE 825 Cb 0.76 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 1a5u h ILE 825 CO -0.25 0.02 0.31 1.56 0.00 0.00 0.00 178.15 179.79 1a5u h GLN 826 N 0.12 0.89 -0.31 2.37 4.20 -0.72 -1.84 115.11 119.82 1a5u h GLN 826 Ca 0.53 -0.12 -0.08 0.00 0.06 0.00 0.00 58.65 59.03 1a5u h GLN 826 Cb 1.04 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.65 1a5u h GLN 826 CO -0.73 0.71 -0.12 -0.44 -0.67 0.00 0.00 178.83 177.58 1a5u h ASP 827 N 0.86 0.64 -0.34 1.46 3.32 0.13 -1.85 116.42 120.64 1a5u h ASP 827 Ca 0.22 -0.39 0.06 0.00 0.02 0.00 0.00 57.03 56.93 1a5u h ASP 827 Cb 0.10 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 1a5u h ASP 827 CO -0.03 0.89 0.02 -0.07 -1.72 0.00 0.00 179.24 178.33 1a5u h LEU 828 N 0.39 -0.08 -1.49 1.55 3.38 -1.13 0.95 115.31 118.88 1a5u h LEU 828 Ca 0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1a5u h LEU 828 Cb 0.63 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1a5u h LEU 828 CO 0.04 -0.01 0.32 0.11 0.09 0.00 0.00 178.44 178.99 1a5u h LYS 829 N 0.13 0.66 0.18 1.13 1.57 -1.22 0.27 116.57 119.28 1a5u h LYS 829 Ca 0.16 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1a5u h LYS 829 Cb 0.21 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1a5u h LYS 829 CO -0.25 0.45 -0.09 0.35 -0.57 0.00 0.00 179.45 179.34 1a5u h PHE 830 N 0.68 -0.22 -0.85 -1.35 3.57 -0.27 -0.85 116.94 117.65 1a5u h PHE 830 Ca 0.18 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.77 1a5u h PHE 830 Cb -0.06 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 1a5u h PHE 830 CO 0.00 -0.01 0.55 0.78 -2.23 0.00 0.00 178.31 177.40 1a5u h GLY 831 N -0.41 1.17 0.92 2.40 0.00 0.28 0.54 103.07 107.97 1a5u h GLY 831 Ca -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1a5u h GLY 831 CO 0.04 0.19 0.12 -2.08 0.00 0.00 0.00 176.54 174.81 1a5u h VAL 832 N 0.80 1.18 0.00 4.60 2.07 -0.17 0.70 116.25 125.42 1a5u h VAL 832 Ca 0.39 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1a5u h VAL 832 Cb 0.44 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1a5u h VAL 832 CO -0.16 0.19 -0.21 -0.33 0.02 0.00 0.00 177.57 177.08 1a5u h GLU 833 N 0.34 0.00 0.00 1.57 4.39 0.58 -0.92 114.58 120.55 1a5u h GLU 833 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 1a5u h GLU 833 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1a5u h GLU 833 CO -0.01 0.21 -0.29 1.04 -1.16 0.00 0.00 179.01 178.80 1a5u n GLN 834 N -4.04 0.23 -2.92 2.33 1.13 0.16 -4.97 117.38 109.30 1a5u n GLN 834 Ca -0.02 0.12 -0.11 0.00 -1.94 0.00 0.00 57.00 55.06 1a5u n GLN 834 Cb 0.28 -1.70 0.04 0.00 0.11 0.00 0.00 30.24 28.98 1a5u n GLN 834 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1a5u n ASP 835 N -2.06 -3.20 -4.67 1.08 2.03 0.15 -5.01 116.55 104.87 1a5u n ASP 835 Ca 0.05 -0.30 -0.29 0.00 0.52 0.00 0.00 54.79 54.76 1a5u n ASP 835 Cb 0.42 -2.90 0.16 0.00 -0.72 0.00 0.00 41.12 38.08 1a5u n ASP 835 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1a5u s VAL 836 N -3.18 2.41 -0.13 5.18 -7.23 -0.70 -4.97 120.40 111.79 1a5u s VAL 836 Ca 0.16 0.13 0.19 0.00 -1.81 0.00 0.00 61.98 60.65 1a5u s VAL 836 Cb -0.07 -2.51 -0.24 0.00 0.56 0.00 0.00 36.38 34.12 1a5u s VAL 836 CO 0.38 -0.18 0.42 0.47 -0.31 0.00 0.00 175.10 175.89 1a5u n ASP 837 N -4.13 0.27 -3.77 4.85 8.00 -0.22 -4.89 116.55 116.67 1a5u n ASP 837 Ca 0.06 0.12 -0.08 0.00 0.71 0.00 0.00 54.79 55.60 1a5u n ASP 837 Cb 0.55 1.01 -0.02 0.00 -0.02 0.00 0.00 41.12 42.63 1a5u n ASP 837 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a5u s MET 838 N -2.91 1.63 -0.04 -1.24 0.23 -1.17 -1.93 119.30 113.87 1a5u s MET 838 Ca -0.07 -0.89 0.03 0.00 -1.03 0.00 0.00 55.69 53.73 1a5u s MET 838 Cb 0.09 0.59 0.00 0.00 -1.53 0.00 0.00 34.83 33.98 1a5u s MET 838 CO 0.85 -0.73 -0.13 0.08 -2.03 0.00 0.00 175.02 173.05 1a5u s VAL 839 N -3.89 1.16 -0.41 5.16 1.01 0.63 -1.91 120.40 122.15 1a5u s VAL 839 Ca 0.09 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.40 1a5u s VAL 839 Cb -0.04 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.36 1a5u s VAL 839 CO 0.02 0.35 0.28 -0.36 0.00 0.00 0.00 175.10 175.38 1a5u s PHE 840 N 0.25 3.26 -0.45 5.22 0.08 0.27 0.69 117.98 127.29 1a5u s PHE 840 Ca -0.06 -0.97 -0.20 0.00 0.12 0.00 0.00 56.93 55.82 1a5u s PHE 840 Cb -0.12 -2.71 0.03 0.00 -0.57 0.00 0.00 43.02 39.65 1a5u s PHE 840 CO 0.02 -0.70 0.60 0.00 -0.10 0.00 0.00 175.22 175.04 1a5u s ALA 841 N 1.58 3.36 0.44 5.36 0.00 0.14 -1.40 121.76 131.24 1a5u s ALA 841 Ca 0.03 -1.37 -0.25 0.00 0.00 0.00 0.00 51.96 50.38 1a5u s ALA 841 Cb -0.21 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 19.56 1a5u s ALA 841 CO 0.07 -1.80 1.29 -1.12 0.00 0.00 0.00 175.76 174.19 1a5u s SER 842 N 2.10 6.07 -1.62 0.00 0.01 -1.26 -1.01 113.70 117.99 1a5u s SER 842 Ca 0.19 2.61 0.00 0.00 1.31 0.00 0.00 55.95 60.06 1a5u s SER 842 Cb -0.16 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.44 1a5u s SER 842 CO 0.17 -1.01 0.00 0.33 0.41 0.00 0.00 173.24 173.13 1a5u n PHE 843 N -0.23 -0.63 -1.72 2.43 7.35 -1.25 -4.58 117.46 118.83 1a5u n PHE 843 Ca 0.06 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.33 1a5u n PHE 843 Cb 0.45 -3.41 -0.03 0.00 0.35 0.00 0.00 39.48 36.83 1a5u n PHE 843 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1a5u s ILE 844 N -2.83 2.46 -0.06 -2.13 -1.09 -1.07 -4.87 121.20 111.61 1a5u s ILE 844 Ca 0.00 0.05 0.01 0.00 -2.23 0.00 0.00 60.65 58.48 1a5u s ILE 844 Cb 0.00 -3.03 -0.02 0.00 -1.58 0.00 0.00 42.46 37.83 1a5u s ILE 844 CO 0.00 0.00 0.06 0.54 -1.23 0.00 0.00 174.94 174.31 1a5u n ARG 845 N 5.45 6.09 -3.58 2.79 1.74 -1.26 -4.30 116.66 123.58 1a5u n ARG 845 Ca 0.17 -0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.21 1a5u n ARG 845 Cb 0.38 -0.60 -0.02 0.00 -1.02 0.00 0.00 32.46 31.20 1a5u n ARG 845 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1a5u s LYS 846 N -1.20 0.56 0.23 5.56 0.00 -1.26 -4.20 119.74 119.43 1a5u s LYS 846 Ca 0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 55.97 55.62 1a5u s LYS 846 Cb 0.01 0.24 0.30 0.00 0.00 0.00 0.00 37.83 38.39 1a5u s LYS 846 CO 0.06 -0.25 1.61 0.00 0.00 0.00 0.00 175.35 176.77 1a5u h ALA 847 N 2.00 0.51 -0.94 0.59 0.00 -1.83 -0.89 119.26 118.70 1a5u h ALA 847 Ca -0.17 0.28 0.27 0.00 0.00 0.00 0.00 54.91 55.29 1a5u h ALA 847 Cb 1.20 0.54 -0.15 0.00 0.00 0.00 0.00 17.79 19.38 1a5u h ALA 847 CO 0.26 -0.42 0.38 0.00 0.00 0.00 0.00 179.25 179.48 1a5u h ALA 848 N 1.72 1.57 -0.46 0.00 0.00 -1.96 0.76 119.26 120.89 1a5u h ALA 848 Ca 0.35 0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.41 1a5u h ALA 848 Cb 0.55 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1a5u h ALA 848 CO -0.74 -0.51 0.03 -0.44 0.00 0.00 0.00 179.25 177.59 1a5u h ASP 849 N 0.26 0.70 -0.54 0.00 3.32 -1.56 0.25 116.42 118.86 1a5u h ASP 849 Ca 0.63 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.48 1a5u h ASP 849 Cb 1.36 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1a5u h ASP 849 CO -0.64 0.75 0.12 0.58 -1.72 0.00 0.00 179.24 178.34 1a5u h VAL 850 N 0.70 1.25 -0.78 -1.35 2.07 0.52 -2.28 116.25 116.37 1a5u h VAL 850 Ca 0.14 -0.89 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1a5u h VAL 850 Cb 0.39 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1a5u h VAL 850 CO 0.01 0.32 0.46 0.45 0.02 0.00 0.00 177.57 178.84 1a5u h HIS 851 N 0.76 1.04 -0.83 1.57 3.86 -0.52 -1.14 115.15 119.88 1a5u h HIS 851 Ca 0.17 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.38 1a5u h HIS 851 Cb 0.36 -0.34 -0.04 0.00 1.06 0.00 0.00 27.41 28.44 1a5u h HIS 851 CO 0.02 0.70 0.55 0.93 0.86 0.00 0.00 177.93 180.99 1a5u h GLU 852 N 1.08 1.09 -0.36 2.45 4.39 -0.08 0.04 114.58 123.19 1a5u h GLU 852 Ca 0.28 -0.07 -0.14 0.00 0.34 0.00 0.00 59.36 59.77 1a5u h GLU 852 Cb -0.03 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 28.37 1a5u h GLU 852 CO -0.05 0.72 -0.35 0.28 -1.16 0.00 0.00 179.01 178.45 1a5u h VAL 853 N 1.12 1.28 -0.18 3.13 2.07 -0.82 -2.49 116.25 120.36 1a5u h VAL 853 Ca 0.31 -1.51 0.02 0.00 0.82 0.00 0.00 66.70 66.33 1a5u h VAL 853 Cb -0.12 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1a5u h VAL 853 CO -0.07 0.50 0.06 -0.09 0.02 0.00 0.00 177.57 177.99 1a5u h ARG 854 N 0.68 0.15 -0.48 1.57 9.65 -0.81 -1.85 114.38 123.30 1a5u h ARG 854 Ca 0.07 -0.01 0.08 0.00 -1.10 0.00 0.00 59.98 59.02 1a5u h ARG 854 Cb 0.90 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 29.38 1a5u h ARG 854 CO 0.08 0.10 0.08 -0.22 2.80 0.00 0.00 179.97 182.81 1a5u h LYS 855 N 0.15 0.21 -0.26 0.20 3.64 -0.84 0.13 116.57 119.80 1a5u h LYS 855 Ca 0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1a5u h LYS 855 Cb 0.05 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1a5u h LYS 855 CO -0.08 0.14 0.13 0.82 -2.27 0.00 0.00 179.45 178.19 1a5u h ILE 856 N 0.21 1.14 -0.07 2.00 1.08 -1.13 -2.22 117.51 118.52 1a5u h ILE 856 Ca 0.24 -0.39 -0.04 0.00 -0.39 0.00 0.00 64.86 64.28 1a5u h ILE 856 Cb 0.32 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 34.99 1a5u h ILE 856 CO -0.32 0.14 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.06 1a5u h LEU 857 N 0.29 0.10 0.00 1.44 3.38 -0.96 -3.46 115.31 116.10 1a5u h LEU 857 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1a5u h LEU 857 Cb 0.10 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1a5u h LEU 857 CO -0.01 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.40 1a5u n GLY 858 N -0.96 0.03 0.38 0.83 0.00 0.42 -1.46 105.19 104.42 1a5u n GLY 858 Ca -0.02 -0.58 0.15 0.00 0.00 0.00 0.00 46.02 45.58 1a5u n GLY 858 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1a5u h GLU 859 N 0.00 0.42 -0.19 1.61 4.57 -1.87 0.41 114.58 119.53 1a5u h GLU 859 Ca 0.00 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.04 1a5u h GLU 859 Cb 0.00 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1a5u h GLU 859 CO 0.00 0.28 -0.39 -0.22 -1.18 0.00 0.00 179.01 177.50 1a5u h LYS 860 N 0.43 0.42 -0.45 1.92 3.64 -1.97 -3.08 116.57 117.49 1a5u h LYS 860 Ca 0.37 -0.20 -0.19 0.00 -1.27 0.00 0.00 60.65 59.35 1a5u h LYS 860 Cb 0.82 -0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.53 1a5u h LYS 860 CO -0.12 0.75 0.06 0.41 -2.27 0.00 0.00 179.45 178.28 1a5u n GLY 861 N -0.13 4.58 0.33 5.01 0.00 -0.43 -4.64 105.19 109.92 1a5u n GLY 861 Ca -0.01 -1.15 0.22 0.00 0.00 0.00 0.00 46.02 45.07 1a5u n GLY 861 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1a5u h LYS 862 N 1.28 0.00 -0.50 1.61 2.10 -0.88 -1.00 116.57 119.18 1a5u h LYS 862 Ca 0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.89 1a5u h LYS 862 Cb 1.83 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.16 1a5u h LYS 862 CO 0.48 0.00 0.00 0.09 -2.00 0.00 0.00 179.45 178.02 1a5u n ASN 863 N -3.07 2.92 -4.74 7.07 5.03 -1.26 -4.89 115.26 116.32 1a5u n ASN 863 Ca -0.02 -1.97 -0.39 0.00 0.87 0.00 0.00 54.58 53.06 1a5u n ASN 863 Cb 0.11 -0.33 -0.05 0.00 -1.02 0.00 0.00 39.78 38.48 1a5u n ASN 863 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1a5u s ILE 864 N -1.33 4.90 -0.14 2.41 1.01 -0.38 -4.98 121.20 122.68 1a5u s ILE 864 Ca 0.37 1.43 -0.29 0.00 0.00 0.00 0.00 60.65 62.16 1a5u s ILE 864 Cb 0.20 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 1a5u s ILE 864 CO 0.26 0.34 1.00 -0.54 0.00 0.00 0.00 174.94 176.01 1a5u s LYS 865 N 0.19 4.38 -0.30 2.79 -0.14 -0.81 -4.88 119.74 120.97 1a5u s LYS 865 Ca 0.36 1.36 -0.10 0.00 -1.36 0.00 0.00 55.97 56.22 1a5u s LYS 865 Cb -0.19 -3.57 -0.02 0.00 -1.68 0.00 0.00 37.83 32.37 1a5u s LYS 865 CO 0.19 -0.39 0.17 0.42 -0.76 0.00 0.00 175.35 174.98 1a5u s ILE 866 N 2.30 4.88 -0.21 2.17 1.01 -1.26 0.23 121.20 130.32 1a5u s ILE 866 Ca 0.47 -0.18 -0.06 0.00 0.00 0.00 0.00 60.65 60.87 1a5u s ILE 866 Cb -0.17 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 1a5u s ILE 866 CO 0.15 0.14 0.03 -0.63 0.00 0.00 0.00 174.94 174.63 1a5u s ILE 867 N 1.68 4.14 0.02 2.92 -1.09 0.22 -1.80 121.20 127.29 1a5u s ILE 867 Ca 0.06 -0.24 -0.15 0.00 -2.23 0.00 0.00 60.65 58.08 1a5u s ILE 867 Cb -0.17 -2.89 -0.06 0.00 -1.58 0.00 0.00 42.46 37.76 1a5u s ILE 867 CO 0.08 0.40 0.44 -0.44 -1.23 0.00 0.00 174.94 174.20 1a5u s SER 868 N 1.13 6.85 -0.33 3.58 0.01 -0.57 0.24 113.70 124.61 1a5u s SER 868 Ca 0.03 1.02 -0.14 0.00 1.31 0.00 0.00 55.95 58.17 1a5u s SER 868 Cb -0.14 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 1a5u s SER 868 CO 0.02 0.30 0.29 -0.54 0.41 0.00 0.00 173.24 173.73 1a5u s LYS 869 N -1.16 3.59 -0.43 12.44 1.02 -0.18 -0.61 119.74 134.41 1a5u s LYS 869 Ca 0.26 -0.48 -0.25 0.00 0.02 0.00 0.00 55.97 55.51 1a5u s LYS 869 Cb -0.17 -3.79 0.02 0.00 -0.52 0.00 0.00 37.83 33.38 1a5u s LYS 869 CO 0.15 -0.45 0.91 0.42 -0.92 0.00 0.00 175.35 175.46 1a5u s ILE 870 N 1.87 4.52 -0.01 2.17 -1.09 -0.43 -2.61 121.20 125.61 1a5u s ILE 870 Ca 0.09 0.84 0.02 0.00 -2.23 0.00 0.00 60.65 59.37 1a5u s ILE 870 Cb -0.17 -4.39 0.03 0.00 -1.58 0.00 0.00 42.46 36.35 1a5u s ILE 870 CO 0.11 -0.74 0.80 -0.62 -1.23 0.00 0.00 174.94 173.26 1a5u n GLU 871 N 7.02 0.69 -3.80 2.79 1.02 -1.26 -2.31 120.64 124.78 1a5u n GLU 871 Ca 0.06 -1.05 -0.05 0.00 -0.02 0.00 0.00 57.16 56.10 1a5u n GLU 871 Cb 0.48 -0.70 -0.01 0.00 -0.02 0.00 0.00 31.44 31.19 1a5u n GLU 871 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1a5u s ASN 872 N -0.78 -0.18 0.17 1.62 4.22 -1.26 -3.28 114.94 115.44 1a5u s ASN 872 Ca 0.04 -0.53 -0.21 0.00 -2.14 0.00 0.00 52.86 50.02 1a5u s ASN 872 Cb 0.03 0.59 0.09 0.00 1.28 0.00 0.00 41.25 43.24 1a5u s ASN 872 CO 0.00 -1.10 1.61 0.45 -2.04 0.00 0.00 177.10 176.03 1a5u h HIS 873 N 2.00 -0.75 -0.21 1.54 3.86 -1.92 -1.50 115.15 118.17 1a5u h HIS 873 Ca -0.23 0.05 0.05 0.00 -1.16 0.00 0.00 60.37 59.08 1a5u h HIS 873 Cb 1.24 0.39 -0.07 0.00 1.06 0.00 0.00 27.41 30.03 1a5u h HIS 873 CO 0.50 -0.35 -0.44 1.49 0.86 0.00 0.00 177.93 180.00 1a5u h GLU 874 N -0.20 -0.44 -0.93 2.45 4.81 -1.91 0.70 114.58 119.06 1a5u h GLU 874 Ca 0.19 0.03 0.23 0.00 -0.13 0.00 0.00 59.36 59.68 1a5u h GLU 874 Cb 0.51 0.10 -0.13 0.00 0.63 0.00 0.00 28.75 29.86 1a5u h GLU 874 CO -0.54 -0.29 0.45 0.78 -0.73 0.00 0.00 179.01 178.67 1a5u h GLY 875 N -0.46 1.65 0.81 1.92 0.00 -1.65 0.70 103.07 106.04 1a5u h GLY 875 Ca 0.09 -0.20 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 1a5u h GLY 875 CO -0.45 -0.27 -0.36 -2.08 0.00 0.00 0.00 176.54 173.38 1a5u h VAL 876 N 0.44 1.37 0.00 4.60 2.07 0.17 -2.20 116.25 122.70 1a5u h VAL 876 Ca 0.59 -1.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 1a5u h VAL 876 Cb 1.13 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1a5u h VAL 876 CO -0.52 0.49 -0.28 0.03 0.02 0.00 0.00 177.57 177.31 1a5u h ARG 877 N 0.06 0.00 -0.42 1.57 3.08 0.30 -2.92 114.38 116.04 1a5u h ARG 877 Ca -0.01 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1a5u h ARG 877 Cb 0.97 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.89 1a5u h ARG 877 CO 0.08 0.28 -0.03 0.54 -1.07 0.00 0.00 179.97 179.77 1a5u n ARG 878 N -3.75 1.90 -0.27 0.04 1.74 0.22 -4.69 116.66 111.85 1a5u n ARG 878 Ca -0.01 -3.21 -0.05 0.00 -0.77 0.00 0.00 57.85 53.81 1a5u n ARG 878 Cb 0.38 -1.86 0.06 0.00 -1.02 0.00 0.00 32.46 30.02 1a5u n ARG 878 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1a5u h PHE 879 N 1.03 1.01 -0.40 -1.55 3.57 -1.19 -2.42 116.94 116.98 1a5u h PHE 879 Ca 0.27 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.82 1a5u h PHE 879 Cb 1.76 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 40.11 1a5u h PHE 879 CO 1.10 0.70 -0.02 -0.44 -2.23 0.00 0.00 178.31 177.43 1a5u h ASP 880 N 1.02 -0.20 -0.24 0.41 3.32 -1.84 0.24 116.42 119.12 1a5u h ASP 880 Ca 0.26 0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.32 1a5u h ASP 880 Cb 0.02 0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 1a5u h ASP 880 CO -0.04 -0.06 -0.19 1.05 -1.72 0.00 0.00 179.24 178.28 1a5u h GLU 881 N 0.09 0.56 -0.85 3.56 4.11 -1.93 -2.38 114.58 117.73 1a5u h GLU 881 Ca 0.20 -0.27 0.11 0.00 0.07 0.00 0.00 59.36 59.46 1a5u h GLU 881 Cb 0.29 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.46 1a5u h GLU 881 CO -0.35 0.85 0.49 0.82 0.07 0.00 0.00 179.01 180.90 1a5u h ILE 882 N 0.27 0.88 0.18 -1.06 2.04 -0.97 0.44 117.51 119.28 1a5u h ILE 882 Ca 0.05 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1a5u h ILE 882 Cb 0.73 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 1a5u h ILE 882 CO 0.05 0.14 -0.09 0.25 0.00 0.00 0.00 178.15 178.51 1a5u h LEU 883 N 0.79 -0.20 -0.64 1.44 6.46 -0.41 -0.00 115.31 122.74 1a5u h LEU 883 Ca 0.42 -0.03 0.07 0.00 -0.12 0.00 0.00 57.88 58.22 1a5u h LEU 883 Cb 0.43 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.36 1a5u h LEU 883 CO -0.27 -0.11 0.33 -0.08 -0.62 0.00 0.00 178.44 177.69 1a5u h GLU 884 N -0.28 0.58 0.00 1.25 4.22 -0.87 -1.16 114.58 118.33 1a5u h GLU 884 Ca -0.02 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 1a5u h GLU 884 Cb 0.21 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1a5u h GLU 884 CO 0.04 0.39 -0.07 0.00 -2.18 0.00 0.00 179.01 177.19 1a5u h ALA 885 N 1.36 0.99 -1.95 2.92 0.00 -0.75 -3.46 119.26 118.37 1a5u h ALA 885 Ca 0.30 -0.06 -0.45 0.00 0.00 0.00 0.00 54.91 54.70 1a5u h ALA 885 Cb 0.24 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.06 1a5u h ALA 885 CO -0.21 0.08 -0.04 -1.12 0.00 0.00 0.00 179.25 177.96 1a5u s SER 886 N -5.95 5.47 0.08 0.00 0.01 -0.03 -4.90 113.70 108.37 1a5u s SER 886 Ca 0.03 0.13 0.23 0.00 1.31 0.00 0.00 55.95 57.65 1a5u s SER 886 Cb 0.08 -1.14 0.08 0.00 0.21 0.00 0.00 66.02 65.25 1a5u s SER 886 CO 0.60 -0.99 1.06 0.47 0.41 0.00 0.00 173.24 174.79 1a5u n ASP 887 N -2.27 0.63 0.00 2.44 8.00 -0.75 -4.93 116.55 119.67 1a5u n ASP 887 Ca 0.05 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1a5u n ASP 887 Cb 0.59 0.69 0.00 0.00 -0.02 0.00 0.00 41.12 42.37 1a5u n ASP 887 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5u n GLY 888 N 1.34 0.55 3.21 0.44 0.00 -1.11 -4.26 105.19 105.35 1a5u n GLY 888 Ca 0.02 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 1a5u n GLY 888 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5u s ILE 889 N -2.00 1.23 -0.15 -0.61 -1.09 -0.30 -1.51 121.20 116.77 1a5u s ILE 889 Ca 0.00 -1.48 -0.00 0.00 -2.23 0.00 0.00 60.65 56.93 1a5u s ILE 889 Cb 0.00 -1.28 0.03 0.00 -1.58 0.00 0.00 42.46 39.63 1a5u s ILE 889 CO 0.00 -0.29 -0.07 -0.32 -1.23 0.00 0.00 174.94 173.03 1a5u s MET 890 N -2.12 1.54 -0.90 2.79 -2.45 0.22 -0.76 119.30 117.63 1a5u s MET 890 Ca 0.03 -0.45 -0.24 0.00 -1.25 0.00 0.00 55.69 53.78 1a5u s MET 890 Cb -0.08 -1.89 0.06 0.00 1.25 0.00 0.00 34.83 34.16 1a5u s MET 890 CO 0.03 -0.37 1.33 0.08 1.05 0.00 0.00 175.02 177.14 1a5u s VAL 891 N 1.64 3.99 -1.23 10.11 1.01 0.43 -1.32 120.40 135.02 1a5u s VAL 891 Ca 0.02 -0.49 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 1a5u s VAL 891 Cb -0.14 -4.96 0.04 0.00 0.00 0.00 0.00 36.38 31.32 1a5u s VAL 891 CO -0.08 -1.83 1.73 0.00 0.00 0.00 0.00 175.10 174.92 1a5u s ALA 892 N 4.86 2.96 0.31 5.51 0.00 -0.98 -2.49 121.76 131.93 1a5u s ALA 892 Ca 0.39 -2.68 0.00 0.00 0.00 0.00 0.00 51.96 49.68 1a5u s ALA 892 Cb -0.04 -4.64 0.52 0.00 0.00 0.00 0.00 23.12 18.97 1a5u s ALA 892 CO -0.01 -3.68 1.94 0.00 0.00 0.00 0.00 175.76 174.01 1a5u h ARG 893 N 8.30 1.00 0.00 0.00 3.08 -1.81 -2.24 114.38 122.71 1a5u h ARG 893 Ca 0.37 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.36 1a5u h ARG 893 Cb 0.90 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1a5u h ARG 893 CO 1.41 0.66 0.00 0.41 -1.07 0.00 0.00 179.97 181.39 1a5u n GLY 894 N -1.41 -3.02 0.24 0.04 0.00 -1.26 0.69 105.19 100.48 1a5u n GLY 894 Ca 0.12 0.47 -0.07 0.00 0.00 0.00 0.00 46.02 46.54 1a5u n GLY 894 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a5u h ASP 895 N 0.00 0.66 -0.60 1.61 3.32 -1.86 -2.42 116.42 117.12 1a5u h ASP 895 Ca 0.00 -0.27 0.09 0.00 0.02 0.00 0.00 57.03 56.87 1a5u h ASP 895 Cb 0.00 -0.18 -0.07 0.00 0.22 0.00 0.00 39.33 39.30 1a5u h ASP 895 CO 0.00 0.94 0.23 0.25 -1.72 0.00 0.00 179.24 178.94 1a5u h LEU 896 N 0.53 0.24 -1.74 1.55 5.85 -1.09 1.40 115.31 122.06 1a5u h LEU 896 Ca 0.06 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1a5u h LEU 896 Cb 0.84 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1a5u h LEU 896 CO 0.07 0.15 -0.04 1.23 -0.34 0.00 0.00 178.44 179.51 1a5u h GLY 897 N 0.42 0.00 0.21 3.75 0.00 0.51 0.61 103.07 108.57 1a5u h GLY 897 Ca 0.30 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.45 1a5u h GLY 897 CO -0.29 0.00 -0.93 -2.22 0.00 0.00 0.00 176.54 173.10 1a5u h ILE 898 N 0.00 1.23 0.52 2.60 2.04 0.26 -3.36 117.51 120.80 1a5u h ILE 898 Ca -0.00 -2.31 -0.01 0.00 1.00 0.00 0.00 64.86 63.53 1a5u h ILE 898 Cb 0.43 2.76 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 1a5u h ILE 898 CO 0.00 0.54 -0.42 -0.33 0.00 0.00 0.00 178.15 177.94 1a5u h GLU 899 N -0.75 -0.90 -6.20 2.37 4.39 0.22 -3.45 114.58 110.26 1a5u h GLU 899 Ca -0.23 0.06 -0.47 0.00 0.34 0.00 0.00 59.36 59.07 1a5u h GLU 899 Cb 1.38 0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 30.22 1a5u h GLU 899 CO -0.05 -0.60 -0.44 0.96 -1.16 0.00 0.00 179.01 177.73 1a5u s ILE 900 N -5.96 4.97 0.26 3.13 -4.36 0.21 -4.58 121.20 114.86 1a5u s ILE 900 Ca -0.18 -1.07 -0.31 0.00 -0.26 0.00 0.00 60.65 58.84 1a5u s ILE 900 Cb 0.05 -3.73 -0.13 0.00 1.25 0.00 0.00 42.46 39.90 1a5u s ILE 900 CO 0.62 -0.31 1.45 -2.65 0.24 0.00 0.00 174.94 174.28 1a5u n PRO 901 N -1.40 2.19 0.13 0.37 -0.02 -1.26 -4.43 135.00 130.58 1a5u n PRO 901 Ca -0.08 0.78 0.18 0.00 -2.02 0.00 0.00 63.50 62.36 1a5u n PRO 901 Cb 0.57 -2.46 0.76 0.00 -0.02 0.00 0.00 33.50 32.35 1a5u n PRO 901 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1a5u h ALA 902 N 4.27 2.08 0.00 3.55 0.00 -1.91 -1.29 119.26 125.97 1a5u h ALA 902 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1a5u h ALA 902 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1a5u h ALA 902 CO 0.76 -0.45 0.00 -0.85 0.00 0.00 0.00 179.25 178.71 1a5u n GLU 903 N -4.00 0.25 -0.02 0.00 0.00 -1.26 -3.36 120.64 112.25 1a5u n GLU 903 Ca 0.05 0.03 0.08 0.00 0.00 0.00 0.00 57.16 57.32 1a5u n GLU 903 Cb 0.45 -1.50 -0.16 0.00 0.00 0.00 0.00 31.44 30.22 1a5u n GLU 903 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1a5u n LYS 904 N -1.37 0.66 -0.32 3.44 5.02 -0.49 -4.59 118.16 120.51 1a5u n LYS 904 Ca 0.11 -0.17 0.20 0.00 -2.02 0.00 0.00 58.31 56.43 1a5u n LYS 904 Cb 0.26 -1.51 0.40 0.00 -0.02 0.00 0.00 35.03 34.16 1a5u n LYS 904 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1a5u h VAL 905 N 0.00 0.11 -0.85 -0.18 2.07 -1.58 -0.48 116.25 115.35 1a5u h VAL 905 Ca -0.06 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1a5u h VAL 905 Cb 1.12 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1a5u h VAL 905 CO 0.00 0.02 0.43 2.19 0.02 0.00 0.00 177.57 180.23 1a5u h PHE 906 N 0.09 1.21 -0.50 1.57 -0.00 -1.82 0.25 116.94 117.74 1a5u h PHE 906 Ca 0.68 -0.05 0.03 0.00 -0.00 0.00 0.00 57.97 58.62 1a5u h PHE 906 Cb 1.55 -0.38 -0.03 0.00 -0.00 0.00 0.00 35.95 37.09 1a5u h PHE 906 CO -0.25 0.86 0.29 -0.07 -0.00 0.00 0.00 178.31 179.15 1a5u h LEU 907 N 1.21 0.46 -0.59 2.10 3.38 -1.41 0.31 115.31 120.76 1a5u h LEU 907 Ca 0.30 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 58.12 1a5u h LEU 907 Cb 0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1a5u h LEU 907 CO -0.04 0.32 -0.68 0.00 0.09 0.00 0.00 178.44 178.14 1a5u h ALA 908 N 1.23 0.81 -0.41 1.53 0.00 -1.06 -1.61 119.26 119.75 1a5u h ALA 908 Ca 0.20 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.40 1a5u h ALA 908 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1a5u h ALA 908 CO -0.10 0.80 -0.21 0.37 0.00 0.00 0.00 179.25 180.11 1a5u h GLN 909 N 0.10 0.86 -0.01 0.00 4.15 0.75 -1.97 115.11 118.98 1a5u h GLN 909 Ca -0.01 -0.38 -0.17 0.00 0.77 0.00 0.00 58.65 58.86 1a5u h GLN 909 Cb 1.20 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.86 1a5u h GLN 909 CO 0.10 1.02 -0.76 0.87 -1.93 0.00 0.00 178.83 178.13 1a5u h LYS 910 N 0.68 0.10 -0.21 1.69 1.57 -0.39 -1.76 116.57 118.25 1a5u h LYS 910 Ca 0.09 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1a5u h LYS 910 Cb 0.77 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.10 1a5u h LYS 910 CO 0.06 0.81 0.10 1.98 -0.57 0.00 0.00 179.45 181.83 1a5u h MET 911 N 0.06 0.31 -0.46 3.15 4.05 -1.17 -1.08 114.93 119.79 1a5u h MET 911 Ca -0.02 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.28 1a5u h MET 911 Cb 1.33 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 32.06 1a5u h MET 911 CO 0.11 0.33 0.01 0.82 0.23 0.00 0.00 176.91 178.41 1a5u h ILE 912 N 0.21 1.26 -0.42 1.77 2.04 -1.37 -1.26 117.51 119.74 1a5u h ILE 912 Ca 0.07 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 1a5u h ILE 912 Cb 0.13 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1a5u h ILE 912 CO -0.01 0.36 0.11 0.40 0.00 0.00 0.00 178.15 179.01 1a5u h ILE 913 N 0.66 1.23 -0.70 -0.67 2.04 -1.19 -1.82 117.51 117.05 1a5u h ILE 913 Ca 0.13 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.16 1a5u h ILE 913 Cb 0.48 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1a5u h ILE 913 CO 0.02 0.27 0.25 1.23 0.00 0.00 0.00 178.15 179.92 1a5u h GLY 914 N 0.55 1.15 1.04 5.37 0.00 -1.09 -1.01 103.07 109.06 1a5u h GLY 914 Ca 0.13 -0.65 -0.10 0.00 0.00 0.00 0.00 47.33 46.71 1a5u h GLY 914 CO -0.00 0.61 -0.11 3.21 0.00 0.00 0.00 176.54 180.25 1a5u h ARG 915 N 1.01 0.90 -0.40 4.80 3.08 -1.10 0.05 114.38 122.72 1a5u h ARG 915 Ca 0.23 -0.34 -0.12 0.00 0.07 0.00 0.00 59.98 59.82 1a5u h ARG 915 Cb 0.26 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1a5u h ARG 915 CO -0.01 0.99 -0.25 0.00 -1.07 0.00 0.00 179.97 179.63 1a5u h ASN 917 N 0.70 1.02 -0.59 0.00 -0.26 -0.98 0.17 115.58 115.65 1a5u h ASN 917 Ca 0.09 -0.21 -0.07 0.00 -0.56 0.00 0.00 56.30 55.56 1a5u h ASN 917 Cb 0.77 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.74 1a5u h ASN 917 CO 0.06 0.97 0.10 -0.09 -1.06 0.00 0.00 177.43 177.42 1a5u h ARG 918 N 1.04 0.98 -0.00 0.81 2.43 -0.73 -2.78 114.38 116.12 1a5u h ARG 918 Ca 0.22 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1a5u h ARG 918 Cb 0.34 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1a5u h ARG 918 CO -0.00 0.92 -0.17 0.00 -1.51 0.00 0.00 179.97 179.22 1a5u n ALA 919 N -2.44 2.87 -1.73 2.80 0.00 -0.18 -4.82 120.51 117.01 1a5u n ALA 919 Ca 0.03 -0.30 -0.08 0.00 0.00 0.00 0.00 53.44 53.09 1a5u n ALA 919 Cb 0.27 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 1a5u n ALA 919 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a5u n GLY 920 N 1.32 0.49 3.68 0.00 0.00 0.36 -5.01 105.19 106.03 1a5u n GLY 920 Ca 0.13 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.21 1a5u n GLY 920 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a5u s LYS 921 N -3.62 2.90 0.39 1.61 1.02 0.22 -4.96 119.74 117.31 1a5u s LYS 921 Ca 0.00 -0.48 -0.27 0.00 0.02 0.00 0.00 55.97 55.24 1a5u s LYS 921 Cb 0.00 -2.74 -0.09 0.00 -0.52 0.00 0.00 37.83 34.48 1a5u s LYS 921 CO 0.00 0.67 1.37 -2.14 -0.92 0.00 0.00 175.35 174.34 1a5u s PRO 922 N -1.11 4.02 0.01 -1.68 0.02 -1.26 -4.36 135.00 130.64 1a5u s PRO 922 Ca 0.15 2.32 0.03 0.00 0.02 0.00 0.00 61.00 63.52 1a5u s PRO 922 Cb -0.11 -2.85 -0.01 0.00 0.02 0.00 0.00 34.50 31.54 1a5u s PRO 922 CO 0.05 -0.50 -0.10 0.54 -0.33 0.00 0.00 177.00 176.66 1a5u s VAL 923 N -1.19 0.75 -0.09 3.83 0.11 -1.26 -1.15 120.40 121.39 1a5u s VAL 923 Ca 0.55 -0.59 0.04 0.00 -2.93 0.00 0.00 61.98 59.05 1a5u s VAL 923 Cb -0.41 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 33.77 1a5u s VAL 923 CO 0.55 0.08 -0.22 -0.63 -3.33 0.00 0.00 175.10 171.55 1a5u s ILE 924 N -0.49 1.86 -0.28 7.04 1.01 0.06 -1.28 121.20 129.14 1a5u s ILE 924 Ca 0.01 -0.91 -0.13 0.00 0.00 0.00 0.00 60.65 59.62 1a5u s ILE 924 Cb -0.05 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1a5u s ILE 924 CO 0.00 0.52 0.28 0.00 0.00 0.00 0.00 174.94 175.74 1a5u s ALA 926 N 1.92 0.81 0.00 0.00 0.00 -1.04 -1.19 121.76 122.26 1a5u s ALA 926 Ca 0.11 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.74 1a5u s ALA 926 Cb -0.16 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.29 1a5u s ALA 926 CO 0.10 -0.33 0.00 2.41 0.00 0.00 0.00 175.76 177.95 1a5u n THR 927 N -0.01 -1.19 -1.19 0.00 -1.04 -1.26 -3.14 114.28 106.45 1a5u n THR 927 Ca -0.12 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.83 1a5u n THR 927 Cb 0.61 -1.34 -0.03 0.00 -1.82 0.00 0.00 70.33 67.76 1a5u n THR 927 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a5u n GLN 928 N 1.22 -1.02 -0.15 -2.82 6.02 -1.26 -4.75 117.38 114.61 1a5u n GLN 928 Ca 0.00 0.64 -0.04 0.00 -0.01 0.00 0.00 57.00 57.59 1a5u n GLN 928 Cb 0.00 -4.61 0.05 0.00 1.02 0.00 0.00 30.24 26.70 1a5u n GLN 928 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1a5u h MET 929 N 0.19 0.30 -0.36 -1.09 2.86 -1.90 -3.13 114.93 111.82 1a5u h MET 929 Ca -0.14 -0.02 -0.27 0.00 -2.06 0.00 0.00 59.70 57.21 1a5u h MET 929 Cb 0.71 -0.07 -0.32 0.00 0.06 0.00 0.00 31.60 31.99 1a5u h MET 929 CO 0.20 0.20 -0.87 1.28 1.06 0.00 0.00 176.91 178.78 1a5u n LEU 930 N -5.03 2.81 -0.37 1.22 4.77 -1.26 -4.55 117.00 114.59 1a5u n LEU 930 Ca 0.04 -3.60 -0.10 0.00 -0.03 0.00 0.00 56.01 52.33 1a5u n LEU 930 Cb 0.19 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 1a5u n LEU 930 CO 0.24 1.37 0.43 1.21 -1.33 0.00 0.00 177.39 179.31 1a5u n GLU 931 N -0.55 -0.39 -0.44 3.23 4.07 -1.18 0.32 120.64 125.69 1a5u n GLU 931 Ca 0.22 1.34 0.38 0.00 -0.06 0.00 0.00 57.16 59.04 1a5u n GLU 931 Cb 0.89 -1.98 0.65 0.00 -0.06 0.00 0.00 31.44 30.95 1a5u n GLU 931 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1a5u n SER 932 N -5.12 0.23 0.00 4.31 3.41 -1.26 -0.54 113.62 114.65 1a5u n SER 932 Ca 0.02 1.41 0.03 0.00 -0.26 0.00 0.00 58.87 60.07 1a5u n SER 932 Cb 0.23 -0.69 0.16 0.00 -0.26 0.00 0.00 64.21 63.65 1a5u n SER 932 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1a5u n MET 933 N -4.77 0.14 0.05 4.33 2.81 0.15 -2.27 117.12 117.55 1a5u n MET 933 Ca 0.39 0.11 -0.02 0.00 -1.81 0.00 0.00 57.70 56.37 1a5u n MET 933 Cb 1.50 -1.50 0.23 0.00 -0.71 0.00 0.00 33.22 32.74 1a5u n MET 933 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1a5u h ILE 934 N 0.00 1.27 0.00 2.02 2.04 -0.98 -3.34 117.51 118.52 1a5u h ILE 934 Ca 0.00 -1.28 -0.21 0.00 1.00 0.00 0.00 64.86 64.37 1a5u h ILE 934 Cb 0.02 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 1a5u h ILE 934 CO 0.00 0.40 -1.90 0.29 0.00 0.00 0.00 178.15 176.94 1a5u n LYS 935 N -4.11 1.58 -4.17 2.37 4.76 -0.96 0.15 118.16 117.76 1a5u n LYS 935 Ca -0.01 -0.03 -0.28 0.00 -2.87 0.00 0.00 58.31 55.12 1a5u n LYS 935 Cb 0.41 -1.35 -0.08 0.00 -1.84 0.00 0.00 35.03 32.17 1a5u n LYS 935 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1a5u s LYS 936 N -2.43 2.43 0.00 1.97 1.02 -1.04 -4.89 119.74 116.79 1a5u s LYS 936 Ca -0.07 -0.99 0.30 0.00 0.02 0.00 0.00 55.97 55.23 1a5u s LYS 936 Cb 0.05 -2.43 1.37 0.00 -0.52 0.00 0.00 37.83 36.30 1a5u s LYS 936 CO 0.57 0.49 1.98 -0.35 -0.92 0.00 0.00 175.35 177.13 1a5u n PRO 937 N 0.24 0.21 -3.80 -1.68 -0.04 -1.26 -4.35 135.00 124.33 1a5u n PRO 937 Ca -0.11 -0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.21 1a5u n PRO 937 Cb 0.53 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 1a5u n PRO 937 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1a5u s ARG 938 N -2.79 -0.01 0.25 0.54 0.52 -1.26 -4.93 118.95 111.27 1a5u s ARG 938 Ca 0.21 0.15 -0.04 0.00 -0.52 0.00 0.00 55.73 55.53 1a5u s ARG 938 Cb 0.20 -0.15 0.06 0.00 0.52 0.00 0.00 34.95 35.57 1a5u s ARG 938 CO 0.50 -0.11 0.33 -0.35 0.02 0.00 0.00 175.30 175.68 1a5u n PRO 939 N 3.80 -0.39 -2.43 3.54 -0.04 -1.26 -4.76 135.00 133.46 1a5u n PRO 939 Ca -0.22 -0.50 -0.23 0.00 -0.04 0.00 0.00 63.50 62.50 1a5u n PRO 939 Cb 0.54 -0.34 0.05 0.00 -0.04 0.00 0.00 33.50 33.71 1a5u n PRO 939 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1a5u s THR 940 N -1.71 2.47 0.12 0.52 -4.23 -1.26 -4.94 115.64 106.61 1a5u s THR 940 Ca 0.19 -0.48 -0.13 0.00 -1.18 0.00 0.00 61.69 60.08 1a5u s THR 940 Cb -0.01 -2.99 -0.07 0.00 1.34 0.00 0.00 72.50 70.77 1a5u s THR 940 CO 0.13 0.00 1.44 0.03 -0.54 0.00 0.00 174.62 175.68 1a5u h ARG 941 N -0.26 0.81 -0.72 3.99 2.47 -1.99 -1.77 114.38 116.92 1a5u h ARG 941 Ca -0.43 -0.44 0.03 0.00 -1.26 0.00 0.00 59.98 57.88 1a5u h ARG 941 Cb 1.30 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.61 1a5u h ARG 941 CO 0.55 1.07 0.48 0.00 0.56 0.00 0.00 179.97 182.63 1a5u h ALA 942 N 0.73 1.56 -0.24 0.04 0.00 -1.99 -0.30 119.26 119.07 1a5u h ALA 942 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a5u h ALA 942 Cb 0.94 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1a5u h ALA 942 CO 0.09 0.37 0.12 0.93 0.00 0.00 0.00 179.25 180.75 1a5u h GLU 943 N 0.89 0.34 -0.76 0.00 5.08 -1.71 0.31 114.58 118.72 1a5u h GLU 943 Ca 0.28 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 1a5u h GLU 943 Cb 0.02 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 1a5u h GLU 943 CO -0.08 0.33 0.41 0.78 -1.00 0.00 0.00 179.01 179.46 1a5u h GLY 944 N 0.26 1.14 0.78 -3.84 0.00 -0.80 -2.79 103.07 97.82 1a5u h GLY 944 Ca 0.08 -0.52 0.02 0.00 0.00 0.00 0.00 47.33 46.91 1a5u h GLY 944 CO -0.01 0.50 -0.07 0.23 0.00 0.00 0.00 176.54 177.19 1a5u h SER 945 N 1.05 -0.21 -0.26 0.19 0.87 -0.44 -2.79 113.55 111.97 1a5u h SER 945 Ca 0.27 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.92 1a5u h SER 945 Cb 0.04 0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.03 1a5u h SER 945 CO -0.04 -0.10 -0.15 -0.78 -0.53 0.00 0.00 176.83 175.23 1a5u h ASP 946 N -0.11 -0.49 -0.30 6.23 3.58 -0.17 -0.41 116.42 124.75 1a5u h ASP 946 Ca 0.04 0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.63 1a5u h ASP 946 Cb 0.16 0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 1a5u h ASP 946 CO -0.09 -0.19 0.11 0.58 -2.88 0.00 0.00 179.24 176.77 1a5u h VAL 947 N -0.12 0.92 -0.49 2.25 2.07 -1.47 -0.63 116.25 118.78 1a5u h VAL 947 Ca 0.14 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 1a5u h VAL 947 Cb 0.34 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1a5u h VAL 947 CO -0.34 0.04 0.25 0.00 0.02 0.00 0.00 177.57 177.55 1a5u h ALA 948 N 1.19 0.63 -0.18 1.67 0.00 -1.20 -2.06 119.26 119.31 1a5u h ALA 948 Ca 0.13 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1a5u h ALA 948 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1a5u h ALA 948 CO -0.13 0.17 -0.26 -0.91 0.00 0.00 0.00 179.25 178.11 1a5u h ASN 949 N 0.65 0.34 0.26 0.00 -0.26 -0.80 0.25 115.58 116.01 1a5u h ASN 949 Ca 0.17 -0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1a5u h ASN 949 Cb 0.09 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1a5u h ASN 949 CO -0.02 0.60 -0.19 0.00 -1.06 0.00 0.00 177.43 176.76 1a5u h ALA 950 N 1.43 -0.43 -0.67 -0.83 0.00 -0.87 0.90 119.26 118.79 1a5u h ALA 950 Ca 0.05 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1a5u h ALA 950 Cb 0.63 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1a5u h ALA 950 CO 0.05 -0.76 0.43 0.28 0.00 0.00 0.00 179.25 179.25 1a5u h VAL 951 N -0.45 1.12 -0.68 0.00 2.07 -0.88 -1.77 116.25 115.65 1a5u h VAL 951 Ca -0.02 -0.29 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1a5u h VAL 951 Cb 0.39 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 1a5u h VAL 951 CO -0.00 0.16 0.24 -0.07 0.02 0.00 0.00 177.57 177.92 1a5u h LEU 952 N 0.86 0.95 -0.92 2.57 4.07 0.00 -2.64 115.31 120.20 1a5u h LEU 952 Ca 0.26 -0.15 0.11 0.00 0.08 0.00 0.00 57.88 58.18 1a5u h LEU 952 Cb -0.03 -0.25 -0.08 0.00 1.08 0.00 0.00 40.66 41.39 1a5u h LEU 952 CO -0.09 0.87 0.55 0.44 -1.08 0.00 0.00 178.44 179.13 1a5u h ASP 953 N 1.00 0.79 0.00 -0.43 3.32 0.17 -3.46 116.42 117.80 1a5u h ASP 953 Ca 0.23 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1a5u h ASP 953 Cb 0.24 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1a5u h ASP 953 CO -0.01 0.42 0.00 0.61 -1.72 0.00 0.00 179.24 178.54 1a5u n GLY 954 N -1.33 1.11 3.68 2.75 0.00 -0.99 -4.66 105.19 105.74 1a5u n GLY 954 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1a5u n GLY 954 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a5u s ALA 955 N -1.36 3.66 0.19 4.61 0.00 -1.09 -4.88 121.76 122.89 1a5u s ALA 955 Ca 0.00 1.16 -0.10 0.00 0.00 0.00 0.00 51.96 53.02 1a5u s ALA 955 Cb 0.00 -3.71 0.11 0.00 0.00 0.00 0.00 23.12 19.52 1a5u s ALA 955 CO 0.00 -1.18 1.76 -0.44 0.00 0.00 0.00 175.76 175.90 1a5u h ASP 956 N 8.66 0.93 -5.09 0.00 5.19 -1.51 -3.44 116.42 121.16 1a5u h ASP 956 Ca -0.42 -0.16 -0.15 0.00 -0.62 0.00 0.00 57.03 55.68 1a5u h ASP 956 Cb 1.20 -0.24 -0.16 0.00 0.18 0.00 0.00 39.33 40.31 1a5u h ASP 956 CO 0.93 0.84 -0.69 0.00 -3.12 0.00 0.00 179.24 177.20 1a5u s ILE 958 N -3.42 1.97 0.14 0.00 -4.36 0.86 -1.53 121.20 114.87 1a5u s ILE 958 Ca 0.04 -1.93 0.07 0.00 -0.26 0.00 0.00 60.65 58.56 1a5u s ILE 958 Cb 0.04 -1.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.80 1a5u s ILE 958 CO -0.08 -0.24 -0.15 -0.32 0.24 0.00 0.00 174.94 174.39 1a5u s MET 959 N -2.71 1.13 -0.10 0.37 1.75 -0.33 -0.55 119.30 118.86 1a5u s MET 959 Ca 0.17 -1.33 0.01 0.00 -1.25 0.00 0.00 55.69 53.29 1a5u s MET 959 Cb -0.07 -1.03 0.02 0.00 2.84 0.00 0.00 34.83 36.59 1a5u s MET 959 CO 0.07 0.20 -0.13 -0.51 -0.65 0.00 0.00 175.02 174.01 1a5u s LEU 960 N -2.64 1.57 0.00 4.11 1.43 0.10 -4.32 118.68 118.94 1a5u s LEU 960 Ca 0.13 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1a5u s LEU 960 Cb -0.04 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.20 1a5u s LEU 960 CO 0.04 -0.02 0.00 -1.20 0.23 0.00 0.00 176.35 175.41 1a5u n SER 961 N 4.32 0.00 -0.31 2.29 7.64 -1.26 0.37 113.62 126.66 1a5u n SER 961 Ca -0.18 0.00 0.14 0.00 1.01 0.00 0.00 58.87 59.84 1a5u n SER 961 Cb 0.51 0.00 0.33 0.00 -1.01 0.00 0.00 64.21 64.04 1a5u n SER 961 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1a5u h GLY 962 N 0.00 1.61 -0.13 0.23 0.00 -1.98 -0.04 103.07 102.77 1a5u h GLY 962 Ca 0.00 -0.19 0.27 0.00 0.00 0.00 0.00 47.33 47.41 1a5u h GLY 962 CO 0.00 -0.28 0.68 0.83 0.00 0.00 0.00 176.54 177.77 1a5u h GLU 963 N 0.42 0.33 0.00 4.80 3.07 -1.88 -1.60 114.58 119.71 1a5u h GLU 963 Ca 0.58 -0.02 -0.20 0.00 -0.50 0.00 0.00 59.36 59.22 1a5u h GLU 963 Cb 1.12 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.92 1a5u h GLU 963 CO -0.53 0.22 -1.76 0.25 -1.40 0.00 0.00 179.01 175.79 1a5u n THR 964 N -4.57 0.74 0.14 1.13 -2.24 -0.54 -3.67 114.28 105.28 1a5u n THR 964 Ca 0.25 -0.47 -0.14 0.00 -2.27 0.00 0.00 64.05 61.42 1a5u n THR 964 Cb 0.91 -0.67 -0.08 0.00 -2.10 0.00 0.00 70.33 68.38 1a5u n THR 964 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a5u h ALA 965 N 0.57 -0.33 0.00 6.98 0.00 -0.63 -3.19 119.26 122.66 1a5u h ALA 965 Ca -0.29 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1a5u h ALA 965 Cb 1.65 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1a5u h ALA 965 CO 0.02 -0.57 -0.59 0.36 0.00 0.00 0.00 179.25 178.47 1a5u n LYS 966 N -5.13 2.46 -0.64 0.00 2.85 -0.74 0.52 118.16 117.47 1a5u n LYS 966 Ca -0.09 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.85 1a5u n LYS 966 Cb 0.22 -0.79 0.19 0.00 -0.65 0.00 0.00 35.03 34.00 1a5u n LYS 966 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1a5u n GLY 967 N 1.52 -2.36 0.10 2.58 0.00 -0.68 -4.66 105.19 101.68 1a5u n GLY 967 Ca 0.00 -0.87 0.13 0.00 0.00 0.00 0.00 46.02 45.28 1a5u n GLY 967 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1a5u h ASP 968 N -2.17 0.00 -2.10 1.61 3.32 -0.53 -3.40 116.42 113.15 1a5u h ASP 968 Ca -0.55 -0.07 -0.56 0.00 0.02 0.00 0.00 57.03 55.87 1a5u h ASP 968 Cb 1.35 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.49 1a5u h ASP 968 CO 0.40 0.04 -0.90 -1.22 -1.72 0.00 0.00 179.24 175.84 1a5u n TYR 969 N -2.28 1.60 -0.08 4.55 4.01 -1.26 -4.96 117.16 118.74 1a5u n TYR 969 Ca 0.05 -3.85 -0.11 0.00 -0.16 0.00 0.00 57.90 53.82 1a5u n TYR 969 Cb 0.44 -0.45 -0.04 0.00 -0.31 0.00 0.00 39.34 38.98 1a5u n TYR 969 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1a5u h PRO 970 N 3.72 0.45 -0.53 -0.72 0.13 -1.77 -2.33 132.00 130.95 1a5u h PRO 970 Ca 0.12 -0.15 -0.08 0.00 -0.87 0.00 0.00 66.00 65.02 1a5u h PRO 970 Cb 0.77 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.85 1a5u h PRO 970 CO 0.63 0.63 0.01 -0.07 -0.23 0.00 0.00 178.00 178.97 1a5u h LEU 971 N 0.22 0.87 -1.09 1.56 3.38 -1.93 -2.40 115.31 115.91 1a5u h LEU 971 Ca 0.07 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.76 1a5u h LEU 971 Cb 0.44 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1a5u h LEU 971 CO 0.02 0.92 0.02 -0.33 0.09 0.00 0.00 178.44 179.16 1a5u h GLU 972 N 0.83 0.66 -0.26 1.13 3.07 -1.92 0.79 114.58 118.88 1a5u h GLU 972 Ca 0.16 -0.15 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1a5u h GLU 972 Cb 0.48 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 1a5u h GLU 972 CO 0.02 0.67 0.08 0.00 -1.40 0.00 0.00 179.01 178.38 1a5u h ALA 973 N 1.40 0.34 0.43 3.43 0.00 -1.02 0.72 119.26 124.56 1a5u h ALA 973 Ca 0.13 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1a5u h ALA 973 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1a5u h ALA 973 CO 0.01 -0.02 -0.21 0.28 0.00 0.00 0.00 179.25 179.31 1a5u h VAL 974 N 0.26 0.58 -0.53 0.00 2.07 -1.03 0.26 116.25 117.86 1a5u h VAL 974 Ca 0.08 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.67 1a5u h VAL 974 Cb 0.24 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 1a5u h VAL 974 CO -0.00 0.00 0.22 0.03 0.02 0.00 0.00 177.57 177.84 1a5u h ARG 975 N -0.58 0.42 -0.01 1.57 3.08 -0.82 0.24 114.38 118.28 1a5u h ARG 975 Ca -0.06 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1a5u h ARG 975 Cb 0.44 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.35 1a5u h ARG 975 CO 0.10 0.28 -0.29 1.98 -1.07 0.00 0.00 179.97 180.97 1a5u h MET 976 N 0.43 -0.41 -0.78 0.04 4.05 -0.62 0.20 114.93 117.84 1a5u h MET 976 Ca 0.25 0.03 0.09 0.00 -0.28 0.00 0.00 59.70 59.79 1a5u h MET 976 Cb 0.23 0.09 -0.07 0.00 -0.80 0.00 0.00 31.60 31.05 1a5u h MET 976 CO -0.22 -0.27 0.42 1.96 0.23 0.00 0.00 176.91 179.03 1a5u h GLN 977 N -0.43 0.69 -0.52 0.39 4.20 0.02 -0.24 115.11 119.23 1a5u h GLN 977 Ca 0.07 -0.04 0.05 0.00 0.06 0.00 0.00 58.65 58.79 1a5u h GLN 977 Cb 0.52 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 1a5u h GLN 977 CO -0.25 0.46 0.25 1.25 -0.67 0.00 0.00 178.83 179.86 1a5u h HIS 978 N 0.71 0.45 -0.01 2.96 2.76 0.67 -0.46 115.15 122.22 1a5u h HIS 978 Ca 0.38 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.57 1a5u h HIS 978 Cb 0.37 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.20 1a5u h HIS 978 CO -0.08 0.20 0.01 -0.07 -1.30 0.00 0.00 177.93 176.69 1a5u h LEU 979 N 0.47 0.01 -0.46 0.26 3.38 0.11 -2.81 115.31 116.27 1a5u h LEU 979 Ca 0.23 -0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 1a5u h LEU 979 Cb 0.17 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1a5u h LEU 979 CO -0.18 0.06 -0.16 0.40 0.09 0.00 0.00 178.44 178.65 1a5u h ILE 980 N -0.03 1.27 -0.67 1.22 2.04 -1.07 -3.08 117.51 117.18 1a5u h ILE 980 Ca 0.00 -1.30 0.03 0.00 1.00 0.00 0.00 64.86 64.59 1a5u h ILE 980 Cb 0.05 1.15 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1a5u h ILE 980 CO -0.00 0.44 0.42 0.00 0.00 0.00 0.00 178.15 179.02 1a5u h ALA 981 N 0.86 0.88 -0.18 1.87 0.00 -1.02 0.28 119.26 121.95 1a5u h ALA 981 Ca 0.11 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1a5u h ALA 981 Cb 0.72 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1a5u h ALA 981 CO 0.05 0.20 -0.08 0.00 0.00 0.00 0.00 179.25 179.43 1a5u h ARG 982 N 0.84 -0.05 -0.51 0.00 3.08 -1.49 0.46 114.38 116.71 1a5u h ARG 982 Ca 0.27 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.30 1a5u h ARG 982 Cb -0.00 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 1a5u h ARG 982 CO -0.10 -0.03 0.23 0.93 -1.07 0.00 0.00 179.97 179.93 1a5u h GLU 983 N -0.05 0.75 -0.42 0.04 4.39 -1.39 -2.66 114.58 115.23 1a5u h GLU 983 Ca 0.10 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.59 1a5u h GLU 983 Cb 0.20 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 1a5u h GLU 983 CO -0.22 0.64 -0.07 0.00 -1.16 0.00 0.00 179.01 178.21 1a5u h ALA 984 N 1.07 1.08 -0.66 3.43 0.00 -0.49 -2.78 119.26 120.92 1a5u h ALA 984 Ca 0.17 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1a5u h ALA 984 Cb 0.16 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1a5u h ALA 984 CO -0.02 0.57 0.36 0.93 0.00 0.00 0.00 179.25 181.09 1a5u h GLU 985 N 0.67 0.65 -0.08 0.00 5.08 0.22 -1.87 114.58 119.26 1a5u h GLU 985 Ca 0.12 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 1a5u h GLU 985 Cb 0.52 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1a5u h GLU 985 CO 0.03 0.43 -0.51 0.00 -1.00 0.00 0.00 179.01 177.96 1a5u h ALA 986 N 1.34 1.01 0.00 3.43 0.00 -1.36 -3.10 119.26 120.58 1a5u h ALA 986 Ca 0.29 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1a5u h ALA 986 Cb 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1a5u h ALA 986 CO -0.18 0.66 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1a5u n ALA 987 N -2.47 2.36 -1.85 0.00 0.00 -0.72 -4.51 120.51 113.33 1a5u n ALA 987 Ca -0.02 -0.07 -0.31 0.00 0.00 0.00 0.00 53.44 53.04 1a5u n ALA 987 Cb 0.54 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1a5u n ALA 987 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1a5u s MET 988 N -2.00 3.62 -1.04 0.00 -1.94 -1.11 -4.96 119.30 111.88 1a5u s MET 988 Ca 0.18 0.80 -0.02 0.00 -1.71 0.00 0.00 55.69 54.94 1a5u s MET 988 Cb 0.08 -2.08 0.32 0.00 2.01 0.00 0.00 34.83 35.15 1a5u s MET 988 CO 0.14 -0.55 1.76 0.34 -0.01 0.00 0.00 175.02 176.70 1a5u n PHE 989 N -2.55 2.66 -0.35 -0.03 7.35 -1.26 -4.85 117.46 118.44 1a5u n PHE 989 Ca 0.06 -2.56 0.04 0.00 -0.76 0.00 0.00 57.45 54.23 1a5u n PHE 989 Cb 0.54 -1.21 0.11 0.00 0.35 0.00 0.00 39.48 39.27 1a5u n PHE 989 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 1a5u n HIS 990 N 0.21 0.27 -0.20 -5.13 8.25 -1.26 -1.47 115.22 115.88 1a5u n HIS 990 Ca 0.43 1.16 -0.01 0.00 -0.26 0.00 0.00 57.72 59.04 1a5u n HIS 990 Cb 0.27 -1.01 0.09 0.00 1.12 0.00 0.00 29.99 30.47 1a5u n HIS 990 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 1a5u h ARG 991 N 0.00 0.48 -0.17 -0.41 1.12 -1.91 0.14 114.38 113.63 1a5u h ARG 991 Ca 0.43 -0.03 -0.18 0.00 -1.11 0.00 0.00 59.98 59.09 1a5u h ARG 991 Cb 0.67 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 30.52 1a5u h ARG 991 CO -0.97 0.31 -0.62 -0.22 -3.11 0.00 0.00 179.97 175.36 1a5u h LYS 992 N 0.49 0.60 0.59 0.20 3.64 -1.68 -2.68 116.57 117.73 1a5u h LYS 992 Ca 0.29 -0.42 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1a5u h LYS 992 Cb 0.28 0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1a5u h LYS 992 CO -0.24 1.04 -0.28 1.25 -2.27 0.00 0.00 179.45 178.94 1a5u h LEU 993 N 0.45 -0.67 -0.88 5.20 5.85 -0.54 -1.52 115.31 123.20 1a5u h LEU 993 Ca -0.01 0.02 0.19 0.00 0.84 0.00 0.00 57.88 58.93 1a5u h LEU 993 Cb 1.19 0.17 -0.16 0.00 0.37 0.00 0.00 40.66 42.23 1a5u h LEU 993 CO 0.12 -0.46 -0.14 0.15 -0.34 0.00 0.00 178.44 177.77 1a5u h PHE 994 N -0.83 -0.33 -0.73 1.25 3.04 -0.83 0.45 116.94 118.96 1a5u h PHE 994 Ca -0.08 0.07 0.04 0.00 3.98 0.00 0.00 57.97 61.99 1a5u h PHE 994 Cb 0.61 0.28 -0.04 0.00 2.56 0.00 0.00 35.95 39.36 1a5u h PHE 994 CO 0.08 -0.37 0.48 0.93 -2.02 0.00 0.00 178.31 177.42 1a5u h GLU 995 N 0.02 0.82 0.07 1.11 5.08 -1.40 0.32 114.58 120.61 1a5u h GLU 995 Ca 0.45 -0.05 -0.28 0.00 -1.00 0.00 0.00 59.36 58.48 1a5u h GLU 995 Cb 0.75 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.84 1a5u h GLU 995 CO -0.87 0.54 -1.16 0.93 -1.00 0.00 0.00 179.01 177.45 1a5u h GLU 996 N 0.85 0.62 0.27 2.33 5.08 0.84 -3.04 114.58 121.53 1a5u h GLU 996 Ca 0.30 -0.77 -0.01 0.00 -1.00 0.00 0.00 59.36 57.88 1a5u h GLU 996 Cb 0.12 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1a5u h GLU 996 CO -0.09 1.34 -0.13 -0.07 -1.00 0.00 0.00 179.01 179.05 1a5u h LEU 997 N 0.30 -0.31 -0.81 1.33 3.38 -0.53 -2.04 115.31 116.64 1a5u h LEU 997 Ca -0.16 -0.06 0.15 0.00 0.09 0.00 0.00 57.88 57.91 1a5u h LEU 997 Cb 1.83 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 42.56 1a5u h LEU 997 CO 0.22 -0.14 0.37 0.00 0.09 0.00 0.00 178.44 178.98 1a5u h ALA 998 N 0.24 1.19 -0.62 1.53 0.00 -1.00 0.21 119.26 120.81 1a5u h ALA 998 Ca -0.04 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1a5u h ALA 998 Cb 0.35 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1a5u h ALA 998 CO 0.06 -0.17 0.07 -0.09 0.00 0.00 0.00 179.25 179.11 1a5u h ARG 999 N 0.51 1.04 -0.76 0.00 2.43 -1.44 -0.42 114.38 115.74 1a5u h ARG 999 Ca 0.45 -0.29 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 1a5u h ARG 999 Cb 0.68 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.08 1a5u h ARG 999 CO -0.40 0.98 0.50 0.66 -1.51 0.00 0.00 179.97 180.20 1a5u h SER 1000N 0.97 0.86 -0.11 -3.80 4.64 0.12 -2.76 113.55 113.46 1a5u h SER 1000Ca 0.19 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1a5u h SER 1000Cb 0.47 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1a5u h SER 1000CO 0.02 0.61 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 1a5u n SER 1001N -4.57 1.78 -0.43 4.97 3.41 -0.49 -4.54 113.62 113.74 1a5u n SER 1001Ca 0.08 -1.65 0.40 0.00 -0.26 0.00 0.00 58.87 57.43 1a5u n SER 1001Cb 0.04 -0.06 0.76 0.00 -0.26 0.00 0.00 64.21 64.68 1a5u n SER 1001CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1a5u h SER 1002N 2.56 0.03 -0.08 4.04 4.64 -0.78 -1.61 113.55 122.35 1a5u h SER 1002Ca 0.00 0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1a5u h SER 1002Cb 0.55 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1a5u h SER 1002CO 0.00 -0.00 0.07 0.45 -0.87 0.00 0.00 176.83 176.47 1a5u h HIS 1003N 0.02 0.00 -2.67 4.77 3.86 -1.83 -3.42 115.15 115.88 1a5u h HIS 1003Ca 0.68 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 59.22 1a5u h HIS 1003Cb 2.66 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 31.06 1a5u h HIS 1003CO -0.00 0.00 -0.46 0.45 0.86 0.00 0.00 177.93 178.78 1a5u s SER 1004N -6.69 6.42 -0.18 2.45 0.15 -0.61 -4.99 113.70 110.25 1a5u s SER 1004Ca -0.05 0.51 0.15 0.00 0.70 0.00 0.00 55.95 57.25 1a5u s SER 1004Cb 0.17 -2.08 0.38 0.00 -1.71 0.00 0.00 66.02 62.77 1a5u s SER 1004CO 0.65 0.40 1.22 0.35 1.20 0.00 0.00 173.24 177.06 1a5u n THR 1005N 1.98 2.10 -1.55 6.45 -2.24 -1.26 -5.04 114.28 114.71 1a5u n THR 1005Ca -0.20 -2.66 -0.40 0.00 -2.27 0.00 0.00 64.05 58.52 1a5u n THR 1005Cb 0.55 -0.25 0.03 0.00 -2.10 0.00 0.00 70.33 68.56 1a5u n THR 1005CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1a5u n ASP 1006N -1.22 0.26 0.07 3.42 -0.08 -1.26 -4.90 116.55 112.83 1a5u n ASP 1006Ca 0.19 0.89 -0.21 0.00 -1.51 0.00 0.00 54.79 54.15 1a5u n ASP 1006Cb 0.71 -1.28 -0.14 0.00 2.34 0.00 0.00 41.12 42.75 1a5u n ASP 1006CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1a5u h LEU 1007N 0.87 0.65 -0.90 -2.67 3.38 -1.99 -2.84 115.31 111.81 1a5u h LEU 1007Ca -0.45 -0.89 -0.06 0.00 0.09 0.00 0.00 57.88 56.57 1a5u h LEU 1007Cb 1.37 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.88 1a5u h LEU 1007CO 0.52 1.48 0.17 -0.03 0.09 0.00 0.00 178.44 180.67 1a5u h MET 1008N -0.09 0.98 -0.63 1.13 4.05 -1.92 0.46 114.93 118.92 1a5u h MET 1008Ca -0.17 -0.21 -0.06 0.00 -0.28 0.00 0.00 59.70 58.98 1a5u h MET 1008Cb 1.77 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 32.40 1a5u h MET 1008CO 0.19 0.86 0.13 0.93 0.23 0.00 0.00 176.91 179.25 1a5u h GLU 1009N 0.94 0.99 -0.52 0.39 5.08 -1.94 0.27 114.58 119.79 1a5u h GLU 1009Ca 0.20 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1a5u h GLU 1009Cb 0.31 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1a5u h GLU 1009CO -0.00 0.89 0.08 0.00 -1.00 0.00 0.00 179.01 178.99 1a5u h ALA 1010N 1.20 0.69 -0.72 3.43 0.00 -1.19 0.40 119.26 123.07 1a5u h ALA 1010Ca 0.20 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1a5u h ALA 1010Cb 0.36 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1a5u h ALA 1010CO 0.00 0.43 0.21 0.52 0.00 0.00 0.00 179.25 180.41 1a5u h MET 1011N 0.74 1.13 0.03 0.00 2.86 -0.31 -0.63 114.93 118.75 1a5u h MET 1011Ca 0.16 -0.25 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1a5u h MET 1011Cb 0.40 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1a5u h MET 1011CO 0.01 0.97 -0.01 0.00 1.06 0.00 0.00 176.91 178.94 1a5u h ALA 1012N 1.14 -0.04 -0.05 6.32 0.00 0.03 -1.76 119.26 124.90 1a5u h ALA 1012Ca 0.23 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.02 1a5u h ALA 1012Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1a5u h ALA 1012CO -0.00 -0.39 -0.01 0.52 0.00 0.00 0.00 179.25 179.36 1a5u h MET 1013N -0.29 0.00 -0.51 0.00 2.86 -0.03 -2.28 114.93 114.67 1a5u h MET 1013Ca -0.00 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 1a5u h MET 1013Cb 0.28 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1a5u h MET 1013CO 0.01 0.00 0.27 0.78 1.06 0.00 0.00 176.91 179.03 1a5u h GLY 1014N 0.00 0.72 1.57 8.32 0.00 -1.15 -1.40 103.07 111.14 1a5u h GLY 1014Ca 0.02 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 1a5u h GLY 1014CO -0.05 0.13 -0.27 1.76 0.00 0.00 0.00 176.54 178.11 1a5u h SER 1015N 0.53 0.50 -0.06 0.19 0.02 -1.22 -1.44 113.55 112.07 1a5u h SER 1015Ca 0.22 -0.18 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1a5u h SER 1015Cb 0.11 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.52 1a5u h SER 1015CO -0.15 0.76 -0.41 0.58 -1.14 0.00 0.00 176.83 176.48 1a5u h VAL 1016N 0.43 1.42 -0.31 2.27 2.07 -1.26 -2.02 116.25 118.86 1a5u h VAL 1016Ca 0.06 -1.84 0.07 0.00 0.82 0.00 0.00 66.70 65.81 1a5u h VAL 1016Cb 0.70 2.40 -0.07 0.00 -1.52 0.00 0.00 31.29 32.80 1a5u h VAL 1016CO 0.05 0.53 -0.13 -0.08 0.02 0.00 0.00 177.57 177.96 1a5u h GLU 1017N -0.12 -0.08 -0.31 1.57 4.57 -1.25 -1.20 114.58 117.77 1a5u h GLU 1017Ca -0.04 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1a5u h GLU 1017Cb 1.08 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.67 1a5u h GLU 1017CO 0.08 -0.05 0.13 0.00 -1.18 0.00 0.00 179.01 177.99 1a5u h ALA 1018N 1.18 1.65 0.00 2.92 0.00 -1.24 -0.09 119.26 123.69 1a5u h ALA 1018Ca 0.16 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1a5u h ALA 1018Cb 0.32 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1a5u h ALA 1018CO -0.37 0.28 -0.46 0.66 0.00 0.00 0.00 179.25 179.37 1a5u h SER 1019N 0.43 0.00 0.05 0.00 4.64 -0.54 -1.26 113.55 116.88 1a5u h SER 1019Ca 0.11 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1a5u h SER 1019Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1a5u h SER 1019CO -0.01 0.46 -0.02 1.88 -0.87 0.00 0.00 176.83 178.26 1a5u h TYR 1020N 0.00 -0.06 -0.56 4.77 0.05 -0.22 0.48 116.97 121.43 1a5u h TYR 1020Ca -0.00 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 58.89 1a5u h TYR 1020Cb 0.86 0.02 -0.09 0.00 1.01 0.00 0.00 36.73 38.53 1a5u h TYR 1020CO 0.00 0.56 0.01 -0.22 -1.05 0.00 0.00 178.16 177.45 1a5u h LYS 1021N -0.81 0.12 -0.57 4.88 1.63 -0.90 -1.20 116.57 119.72 1a5u h LYS 1021Ca -0.01 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1a5u h LYS 1021Cb 0.65 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.25 1a5u h LYS 1021CO 0.01 0.08 0.00 0.00 -3.45 0.00 0.00 179.45 176.09 1a5u n LEU 1023N 1.39 -3.73 -4.74 0.00 4.77 0.01 -4.89 117.00 109.80 1a5u n LEU 1023Ca 0.21 -0.77 -0.33 0.00 -0.03 0.00 0.00 56.01 55.09 1a5u n LEU 1023Cb 0.58 -2.49 0.08 0.00 -2.33 0.00 0.00 43.42 39.25 1a5u n LEU 1023CO 0.15 0.06 0.75 0.00 -1.33 0.00 0.00 177.39 177.01 1a5u s ALA 1024N -3.25 2.23 -0.59 -1.18 0.00 0.15 -4.87 121.76 114.25 1a5u s ALA 1024Ca 0.26 0.63 0.24 0.00 0.00 0.00 0.00 51.96 53.09 1a5u s ALA 1024Cb -0.09 -3.38 0.30 0.00 0.00 0.00 0.00 23.12 19.96 1a5u s ALA 1024CO 0.84 -1.68 1.30 0.00 0.00 0.00 0.00 175.76 176.21 1a5u h ALA 1025N -0.41 0.58 -2.05 0.00 0.00 -1.49 -3.43 119.26 112.46 1a5u h ALA 1025Ca -0.46 0.00 0.23 0.00 0.00 0.00 0.00 54.91 54.68 1a5u h ALA 1025Cb 1.26 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 1a5u h ALA 1025CO 0.51 0.00 0.61 0.00 0.00 0.00 0.00 179.25 180.37 1a5u s ALA 1026N -3.19 -1.86 -0.14 0.00 0.00 -1.26 -4.23 121.76 111.08 1a5u s ALA 1026Ca 0.05 0.28 -0.02 0.00 0.00 0.00 0.00 51.96 52.28 1a5u s ALA 1026Cb 0.13 0.56 0.04 0.00 0.00 0.00 0.00 23.12 23.85 1a5u s ALA 1026CO 0.73 -1.05 -0.00 -0.51 0.00 0.00 0.00 175.76 174.92 1a5u s LEU 1027N -3.00 1.06 -0.28 0.00 1.43 -0.50 -1.90 118.68 115.50 1a5u s LEU 1027Ca 0.14 -0.50 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 1a5u s LEU 1027Cb 0.01 -0.62 -0.05 0.00 0.03 0.00 0.00 46.19 45.56 1a5u s LEU 1027CO 0.00 -0.23 0.24 -0.63 0.23 0.00 0.00 176.35 175.96 1a5u s ILE 1028N 1.84 5.27 -0.13 -0.59 1.01 0.20 0.12 121.20 128.92 1a5u s ILE 1028Ca 0.02 0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.95 1a5u s ILE 1028Cb -0.15 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.76 1a5u s ILE 1028CO -0.07 0.22 -0.17 -0.69 0.00 0.00 0.00 174.94 174.23 1a5u s VAL 1029N 1.84 1.73 -0.25 2.92 1.01 -0.20 0.36 120.40 127.81 1a5u s VAL 1029Ca 0.09 -0.76 -0.16 0.00 0.00 0.00 0.00 61.98 61.15 1a5u s VAL 1029Cb -0.16 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1a5u s VAL 1029CO 0.11 0.49 0.42 -0.76 0.00 0.00 0.00 175.10 175.35 1a5u s LEU 1030N 1.09 4.07 0.05 3.92 1.02 -1.08 -1.69 118.68 126.06 1a5u s LEU 1030Ca -0.03 0.41 -0.13 0.00 0.02 0.00 0.00 54.13 54.40 1a5u s LEU 1030Cb -0.14 -2.51 0.02 0.00 0.02 0.00 0.00 46.19 43.57 1a5u s LEU 1030CO -0.05 -0.18 0.29 0.28 0.02 0.00 0.00 176.35 176.71 1a5u s THR 1031N 1.92 0.09 -0.03 5.49 -1.32 -0.57 -4.79 115.64 116.43 1a5u s THR 1031Ca 0.18 -0.75 0.01 0.00 -1.21 0.00 0.00 61.69 59.92 1a5u s THR 1031Cb -0.15 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.82 1a5u s THR 1031CO 0.09 -0.41 -0.02 -0.62 -2.21 0.00 0.00 174.62 171.45 1a5u n GLU 1032N 0.46 0.86 0.04 7.08 -0.58 -1.26 -3.87 120.64 123.37 1a5u n GLU 1032Ca -0.18 0.02 -0.15 0.00 -0.42 0.00 0.00 57.16 56.42 1a5u n GLU 1032Cb 0.60 -1.07 -0.14 0.00 -0.57 0.00 0.00 31.44 30.26 1a5u n GLU 1032CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1a5u h SER 1033N 0.00 0.29 0.00 1.62 4.64 -1.96 -3.43 113.55 114.71 1a5u h SER 1033Ca -0.08 -0.46 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 1a5u h SER 1033Cb 1.13 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1a5u h SER 1033CO -0.01 1.39 0.00 0.61 -0.87 0.00 0.00 176.83 177.95 1a5u n GLY 1034N 1.67 0.65 0.07 -0.77 0.00 -1.26 -4.86 105.19 100.69 1a5u n GLY 1034Ca -0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1a5u n GLY 1034CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1a5u h ARG 1035N 4.51 0.10 -0.65 1.61 2.43 -1.96 0.76 114.38 121.18 1a5u h ARG 1035Ca 0.00 -0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.29 1a5u h ARG 1035Cb 0.00 -0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 29.41 1a5u h ARG 1035CO 0.00 0.17 -0.13 0.77 -1.51 0.00 0.00 179.97 179.27 1a5u h SER 1036N 0.01 -0.54 -0.21 -3.80 0.02 -1.93 0.24 113.55 107.34 1a5u h SER 1036Ca 0.03 0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 61.06 1a5u h SER 1036Cb 0.10 0.38 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1a5u h SER 1036CO -0.00 -0.20 -0.23 0.00 -1.14 0.00 0.00 176.83 175.25 1a5u h ALA 1037N 1.64 0.96 -0.51 3.77 0.00 -1.86 -2.65 119.26 120.61 1a5u h ALA 1037Ca 0.32 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1a5u h ALA 1037Cb 0.50 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1a5u h ALA 1037CO -0.65 0.61 -0.06 0.45 0.00 0.00 0.00 179.25 179.59 1a5u h HIS 1038N 0.59 1.00 -0.70 0.00 -0.00 0.18 -2.19 115.15 114.03 1a5u h HIS 1038Ca 0.08 -0.18 0.03 0.00 -0.00 0.00 0.00 60.37 60.31 1a5u h HIS 1038Cb 0.71 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.82 1a5u h HIS 1038CO 0.03 0.93 0.46 1.96 -0.00 0.00 0.00 177.93 181.31 1a5u h GLN 1039N 0.83 0.82 0.17 2.45 7.50 -0.46 -2.65 115.11 123.78 1a5u h GLN 1039Ca 0.14 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.24 1a5u h GLN 1039Cb 0.58 -0.19 0.00 0.00 0.05 0.00 0.00 27.48 27.92 1a5u h GLN 1039CO 0.03 0.55 -0.08 0.28 -1.50 0.00 0.00 178.83 178.11 1a5u h VAL 1040N 0.85 0.93 -0.95 -0.54 2.07 -1.34 -3.26 116.25 114.01 1a5u h VAL 1040Ca 0.27 -0.99 0.25 0.00 0.82 0.00 0.00 66.70 67.06 1a5u h VAL 1040Cb 0.04 1.48 -0.13 0.00 -1.52 0.00 0.00 31.29 31.16 1a5u h VAL 1040CO -0.08 0.21 0.47 0.00 0.02 0.00 0.00 177.57 178.19 1a5u h ALA 1041N -0.10 1.64 0.00 1.67 0.00 -1.24 0.28 119.26 121.51 1a5u h ALA 1041Ca -0.02 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1a5u h ALA 1041Cb 0.52 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1a5u h ALA 1041CO 0.04 -0.40 -0.07 -0.09 0.00 0.00 0.00 179.25 178.73 1a5u h ARG 1042N 0.40 0.00 -0.03 0.00 2.43 -1.53 0.76 114.38 116.41 1a5u h ARG 1042Ca 0.63 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 1a5u h ARG 1042Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1a5u h ARG 1042CO -0.55 0.07 0.00 0.66 -1.51 0.00 0.00 179.97 178.64 1a5u n TYR 1043N -4.26 0.03 -3.52 2.20 4.01 0.98 -4.97 117.16 111.64 1a5u n TYR 1043Ca -0.03 -0.01 -0.21 0.00 -0.16 0.00 0.00 57.90 57.49 1a5u n TYR 1043Cb 0.15 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.21 1a5u n TYR 1043CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1a5u n ARG 1044N -0.32 -1.37 -0.54 -0.72 5.12 0.26 -4.69 116.66 114.40 1a5u n ARG 1044Ca 0.20 0.80 -0.29 0.00 -1.93 0.00 0.00 57.85 56.63 1a5u n ARG 1044Cb 0.23 -4.27 0.27 0.00 -1.16 0.00 0.00 32.46 27.53 1a5u n ARG 1044CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1a5u s PRO 1045N -4.92 -1.86 -0.17 5.56 0.04 -1.26 -4.94 135.00 127.45 1a5u s PRO 1045Ca 0.26 0.41 0.16 0.00 0.04 0.00 0.00 61.00 61.88 1a5u s PRO 1045Cb -0.09 -1.48 -0.24 0.00 0.04 0.00 0.00 34.50 32.73 1a5u s PRO 1045CO 0.83 -4.24 0.18 -2.13 0.04 0.00 0.00 177.00 171.68 1a5u n ARG 1046N -5.22 0.68 -2.06 4.56 0.63 -1.26 -4.94 116.66 109.04 1a5u n ARG 1046Ca 0.08 0.06 -0.32 0.00 -0.92 0.00 0.00 57.85 56.75 1a5u n ARG 1046Cb 0.57 -1.58 0.00 0.00 0.45 0.00 0.00 32.46 31.91 1a5u n ARG 1046CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1a5u s ALA 1047N -2.51 2.90 0.44 5.13 0.00 -1.26 -5.02 121.76 121.44 1a5u s ALA 1047Ca -0.10 0.19 -0.24 0.00 0.00 0.00 0.00 51.96 51.82 1a5u s ALA 1047Cb 0.06 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 19.95 1a5u s ALA 1047CO 0.82 -0.66 1.17 -1.25 0.00 0.00 0.00 175.76 175.84 1a5u s PRO 1048N -4.40 3.87 -0.51 0.00 0.04 -1.26 -4.79 135.00 127.94 1a5u s PRO 1048Ca 0.60 1.80 -0.15 0.00 0.04 0.00 0.00 61.00 63.28 1a5u s PRO 1048Cb -0.13 -2.51 0.11 0.00 0.04 0.00 0.00 34.50 32.01 1a5u s PRO 1048CO 0.41 -0.46 0.45 0.42 0.04 0.00 0.00 177.00 177.86 1a5u s ILE 1049N -1.50 5.16 -0.26 0.56 1.01 0.14 -1.41 121.20 124.90 1a5u s ILE 1049Ca 0.61 -1.35 -0.21 0.00 0.00 0.00 0.00 60.65 59.70 1a5u s ILE 1049Cb -0.29 -4.23 -0.01 0.00 0.01 0.00 0.00 42.46 37.94 1a5u s ILE 1049CO 0.36 -0.75 0.66 -0.63 0.00 0.00 0.00 174.94 174.57 1a5u s ILE 1050N 1.60 4.95 -0.24 2.92 1.01 0.32 0.22 121.20 131.99 1a5u s ILE 1050Ca 0.03 1.14 0.01 0.00 0.00 0.00 0.00 60.65 61.83 1a5u s ILE 1050Cb -0.28 -3.98 0.04 0.00 0.01 0.00 0.00 42.46 38.26 1a5u s ILE 1050CO 0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 174.94 174.84 1a5u s ALA 1051N 2.58 2.56 -0.16 9.38 0.00 -0.47 -1.03 121.76 134.62 1a5u s ALA 1051Ca 0.27 -1.51 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 1a5u s ALA 1051Cb -0.15 -1.53 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 1a5u s ALA 1051CO 0.09 -0.84 0.40 0.08 0.00 0.00 0.00 175.76 175.49 1a5u s VAL 1052N 1.24 5.22 0.05 0.00 1.01 -0.68 -0.98 120.40 126.26 1a5u s VAL 1052Ca -0.02 0.75 -0.05 0.00 0.00 0.00 0.00 61.98 62.66 1a5u s VAL 1052Cb -0.17 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 1a5u s VAL 1052CO -0.07 0.31 0.10 0.28 0.00 0.00 0.00 175.10 175.72 1a5u s THR 1053N 0.86 0.15 -1.72 3.92 -1.32 -0.42 -1.51 115.64 115.60 1a5u s THR 1053Ca 0.21 -1.20 0.22 0.00 -1.21 0.00 0.00 61.69 59.70 1a5u s THR 1053Cb -0.14 -1.06 -0.08 0.00 -1.51 0.00 0.00 72.50 69.71 1a5u s THR 1053CO 0.07 -0.66 1.03 0.54 -2.21 0.00 0.00 174.62 173.39 1a5u n ARG 1054N 0.53 0.83 -3.14 7.08 1.74 -1.26 -0.91 116.66 121.53 1a5u n ARG 1054Ca -0.18 -0.69 -0.44 0.00 -0.77 0.00 0.00 57.85 55.77 1a5u n ARG 1054Cb 0.59 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.49 1a5u n ARG 1054CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1a5u s ASN 1055N -2.64 6.21 0.37 0.55 3.84 -1.26 -4.82 114.94 117.19 1a5u s ASN 1055Ca 0.15 -1.12 0.10 0.00 0.21 0.00 0.00 52.86 52.20 1a5u s ASN 1055Cb 0.17 -2.29 0.87 0.00 -0.55 0.00 0.00 41.25 39.45 1a5u s ASN 1055CO 0.67 -0.98 1.89 0.45 -2.79 0.00 0.00 177.10 176.33 1a5u h HIS 1056N 9.07 0.73 0.00 0.43 3.86 -1.94 0.21 115.15 127.51 1a5u h HIS 1056Ca -0.28 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 58.77 1a5u h HIS 1056Cb 1.09 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 29.31 1a5u h HIS 1056CO 0.78 0.28 -0.85 0.37 0.86 0.00 0.00 177.93 179.37 1a5u h GLN 1057N 0.63 0.06 -0.58 2.45 4.15 -1.97 -1.13 115.11 118.72 1a5u h GLN 1057Ca 0.42 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 59.66 1a5u h GLN 1057Cb 0.73 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1a5u h GLN 1057CO -0.18 0.87 -0.05 1.15 -1.93 0.00 0.00 178.83 178.70 1a5u h THR 1058N 0.03 1.27 0.57 2.39 2.02 -1.54 0.27 112.91 117.92 1a5u h THR 1058Ca -0.02 -1.21 -0.02 0.00 0.77 0.00 0.00 66.41 65.92 1a5u h THR 1058Cb 1.49 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1a5u h THR 1058CO 0.12 0.44 -0.36 0.00 0.37 0.00 0.00 175.52 176.09 1a5u h ALA 1059N 0.96 -1.17 -0.92 6.16 0.00 -0.88 -1.40 119.26 122.02 1a5u h ALA 1059Ca 0.16 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.04 1a5u h ALA 1059Cb 0.62 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 1a5u h ALA 1059CO 0.04 -1.14 0.59 0.00 0.00 0.00 0.00 179.25 178.74 1a5u h ARG 1060N -0.87 0.69 0.00 0.00 3.08 -1.13 -0.94 114.38 115.22 1a5u h ARG 1060Ca -0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1a5u h ARG 1060Cb 0.70 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1a5u h ARG 1060CO 0.07 0.46 0.00 1.96 -1.07 0.00 0.00 179.97 181.39 1a5u h GLN 1061N 0.71 0.00 -0.40 0.04 4.20 -0.62 -3.25 115.11 115.78 1a5u h GLN 1061Ca 0.47 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.29 1a5u h GLN 1061Cb 0.75 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 1a5u h GLN 1061CO -0.23 0.00 0.29 0.00 -0.67 0.00 0.00 178.83 178.22 1a5u h ALA 1062N 2.13 2.35 -0.06 3.87 0.00 -0.04 -1.51 119.26 126.00 1a5u h ALA 1062Ca 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1a5u h ALA 1062Cb 0.64 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1a5u h ALA 1062CO 0.00 -0.46 0.12 0.45 0.00 0.00 0.00 179.25 179.35 1a5u h HIS 1063N 0.02 0.00 0.00 0.00 3.86 -1.71 0.17 115.15 117.49 1a5u h HIS 1063Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1a5u h HIS 1063Cb 0.73 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1a5u h HIS 1063CO -0.00 0.00 0.00 1.25 0.86 0.00 0.00 177.93 180.04 1a5u h LEU 1064N 0.00 0.00 -9.00 2.43 7.12 -1.54 -3.41 115.31 110.91 1a5u h LEU 1064Ca 0.03 0.00 -0.68 0.00 0.13 0.00 0.00 57.88 57.36 1a5u h LEU 1064Cb 0.26 0.00 -0.21 0.00 -0.53 0.00 0.00 40.66 40.18 1a5u h LEU 1064CO -0.00 0.00 -0.72 -0.31 -0.13 0.00 0.00 178.44 177.28 1a5u s TYR 1065N -3.48 2.87 0.18 1.25 1.51 0.58 -4.53 117.35 115.72 1a5u s TYR 1065Ca 0.01 -0.09 -0.32 0.00 -1.01 0.00 0.00 57.07 55.66 1a5u s TYR 1065Cb 0.09 -1.72 -0.11 0.00 -0.11 0.00 0.00 41.96 40.11 1a5u s TYR 1065CO 0.35 0.23 1.65 0.50 -1.11 0.00 0.00 175.55 177.17 1a5u s ARG 1066N -0.62 4.17 0.00 -0.62 6.06 -1.26 -2.69 118.95 123.99 1a5u s ARG 1066Ca 0.09 2.47 0.00 0.00 -2.50 0.00 0.00 55.73 55.79 1a5u s ARG 1066Cb -0.11 -3.16 0.00 0.00 0.06 0.00 0.00 34.95 31.73 1a5u s ARG 1066CO 0.02 -0.68 0.00 0.41 -2.50 0.00 0.00 175.30 172.54 1a5u n GLY 1067N 3.88 1.95 3.64 8.12 0.00 -0.31 -4.67 105.19 117.80 1a5u n GLY 1067Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1a5u n GLY 1067CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5u s ILE 1068N -3.30 4.73 -0.52 -0.61 1.01 -1.10 0.26 121.20 121.68 1a5u s ILE 1068Ca 0.00 1.57 -0.02 0.00 0.00 0.00 0.00 60.65 62.20 1a5u s ILE 1068Cb 0.00 -4.22 0.14 0.00 0.01 0.00 0.00 42.46 38.39 1a5u s ILE 1068CO 0.00 -0.22 0.32 -0.36 0.00 0.00 0.00 174.94 174.68 1a5u s PHE 1069N 3.09 3.49 0.19 3.97 0.40 0.13 -4.61 117.98 124.64 1a5u s PHE 1069Ca 0.38 -2.61 -0.30 0.00 -0.60 0.00 0.00 56.93 53.79 1a5u s PHE 1069Cb -0.14 -3.19 -0.09 0.00 0.51 0.00 0.00 43.02 40.11 1a5u s PHE 1069CO 0.10 -0.90 1.36 -1.25 0.70 0.00 0.00 175.22 175.23 1a5u s PRO 1070N 0.49 4.35 -0.13 0.24 0.04 -1.26 -1.37 135.00 137.36 1a5u s PRO 1070Ca 0.13 2.11 -0.01 0.00 0.04 0.00 0.00 61.00 63.27 1a5u s PRO 1070Cb -0.22 -3.19 0.04 0.00 0.04 0.00 0.00 34.50 31.17 1a5u s PRO 1070CO -0.04 -0.33 -0.02 0.08 0.04 0.00 0.00 177.00 176.73 1a5u s VAL 1071N 0.34 0.74 -0.16 -0.36 1.01 -0.15 -4.66 120.40 117.15 1a5u s VAL 1071Ca 0.59 -0.31 -0.26 0.00 0.00 0.00 0.00 61.98 62.00 1a5u s VAL 1071Cb -0.38 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.04 1a5u s VAL 1071CO 0.37 0.15 0.89 -0.69 0.00 0.00 0.00 175.10 175.82 1a5u s VAL 1072N 1.80 4.84 -0.42 2.92 1.01 -1.26 -1.30 120.40 128.00 1a5u s VAL 1072Ca 0.03 1.76 -0.21 0.00 0.00 0.00 0.00 61.98 63.55 1a5u s VAL 1072Cb -0.14 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1a5u s VAL 1072CO -0.07 -0.00 0.67 0.00 0.00 0.00 0.00 175.10 175.69 1a5u n LYS 1074N 6.28 2.93 -3.98 0.00 5.02 -1.26 -4.54 118.16 122.60 1a5u n LYS 1074Ca -0.01 -2.12 -0.25 0.00 -2.02 0.00 0.00 58.31 53.91 1a5u n LYS 1074Cb 0.48 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 1a5u n LYS 1074CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1a5u s ASP 1075N -0.83 6.13 0.90 4.39 1.01 -1.26 -5.10 116.67 121.91 1a5u s ASP 1075Ca 0.38 0.07 -0.13 0.00 0.71 0.00 0.00 52.55 53.58 1a5u s ASP 1075Cb 0.24 -1.78 0.14 0.00 1.01 0.00 0.00 42.92 42.52 1a5u s ASP 1075CO 0.20 0.03 1.18 -2.84 0.21 0.00 0.00 175.17 173.95 1a5u s PRO 1076N -3.36 1.18 0.23 8.23 0.02 -1.26 -5.02 135.00 135.02 1a5u s PRO 1076Ca 0.34 0.10 -0.29 0.00 0.02 0.00 0.00 61.00 61.17 1a5u s PRO 1076Cb -0.10 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.47 1a5u s PRO 1076CO 0.27 -2.13 0.91 0.08 -0.33 0.00 0.00 177.00 175.80 1a5u s VAL 1077N -3.45 4.12 0.62 3.83 1.01 -1.26 -5.06 120.40 120.20 1a5u s VAL 1077Ca 0.65 2.03 -0.05 0.00 0.00 0.00 0.00 61.98 64.60 1a5u s VAL 1077Cb -0.12 -4.30 0.02 0.00 0.00 0.00 0.00 36.38 31.99 1a5u s VAL 1077CO 0.52 0.50 0.92 -1.10 0.00 0.00 0.00 175.10 175.94 1a5u s GLN 1078N -1.18 2.69 0.44 2.72 -1.52 -1.26 -4.97 119.66 116.58 1a5u s GLN 1078Ca 0.40 -0.14 0.24 0.00 -1.95 0.00 0.00 55.36 53.92 1a5u s GLN 1078Cb -0.26 -2.26 0.56 0.00 -0.22 0.00 0.00 33.01 30.83 1a5u s GLN 1078CO 0.31 -0.84 1.68 1.05 -0.25 0.00 0.00 175.29 177.24 1a5u h GLU 1079N -0.27 0.00 -5.17 2.91 4.11 -2.01 -3.42 114.58 110.73 1a5u h GLU 1079Ca -0.45 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.35 1a5u h GLU 1079Cb 1.28 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.34 1a5u h GLU 1079CO 0.60 0.07 -0.60 0.00 0.07 0.00 0.00 179.01 179.16 1a5u s ALA 1080N -3.30 3.27 0.10 1.06 0.00 -1.26 -4.96 121.76 116.66 1a5u s ALA 1080Ca 0.05 -0.89 -0.35 0.00 0.00 0.00 0.00 51.96 50.77 1a5u s ALA 1080Cb 0.06 -1.93 -0.15 0.00 0.00 0.00 0.00 23.12 21.11 1a5u s ALA 1080CO 0.65 -0.05 1.56 2.35 0.00 0.00 0.00 175.76 180.27 1a5u h TRP 1081N 7.24 -1.48 -0.88 0.00 -0.00 -1.99 0.16 115.95 119.00 1a5u h TRP 1081Ca -0.36 0.04 0.19 0.00 -0.00 0.00 0.00 58.89 58.75 1a5u h TRP 1081Cb 1.17 0.62 -0.16 0.00 -0.00 0.00 0.00 29.16 30.79 1a5u h TRP 1081CO 0.60 -0.61 -0.16 0.00 -0.00 0.00 0.00 178.44 178.28 1a5u h ALA 1082N -0.55 0.69 0.22 2.65 0.00 -1.93 0.56 119.26 120.91 1a5u h ALA 1082Ca -0.01 0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1a5u h ALA 1082Cb 0.77 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1a5u h ALA 1082CO -0.25 -0.42 -0.11 0.93 0.00 0.00 0.00 179.25 179.40 1a5u h GLU 1083N 0.01 -0.29 -0.59 0.00 5.08 -1.88 -1.26 114.58 115.65 1a5u h GLU 1083Ca 0.45 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.93 1a5u h GLU 1083Cb 0.74 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 29.94 1a5u h GLU 1083CO -0.88 0.06 -0.35 0.22 -1.00 0.00 0.00 179.01 177.06 1a5u h ASP 1084N -0.70 -1.21 -0.08 1.42 3.58 0.24 0.81 116.42 120.49 1a5u h ASP 1084Ca -0.03 0.23 0.04 0.00 0.42 0.00 0.00 57.03 57.69 1a5u h ASP 1084Cb 0.48 0.59 -0.06 0.00 1.72 0.00 0.00 39.33 42.06 1a5u h ASP 1084CO 0.05 -0.31 -0.42 0.58 -2.88 0.00 0.00 179.24 176.26 1a5u h VAL 1085N -0.17 0.15 -0.73 2.25 2.07 -0.09 -1.49 116.25 118.23 1a5u h VAL 1085Ca 0.23 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.90 1a5u h VAL 1085Cb 0.55 0.15 -0.11 0.00 -1.52 0.00 0.00 31.29 30.37 1a5u h VAL 1085CO -0.68 0.00 0.20 0.44 0.02 0.00 0.00 177.57 177.54 1a5u h ASP 1086N -0.52 0.06 0.46 0.57 3.32 0.22 0.13 116.42 120.65 1a5u h ASP 1086Ca 0.06 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.24 1a5u h ASP 1086Cb 0.64 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 1a5u h ASP 1086CO -0.36 -0.02 -0.40 0.25 -1.72 0.00 0.00 179.24 176.99 1a5u h LEU 1087N 0.29 -1.09 -0.78 1.55 6.46 -0.58 0.24 115.31 121.40 1a5u h LEU 1087Ca 0.41 0.08 0.18 0.00 -0.12 0.00 0.00 57.88 58.44 1a5u h LEU 1087Cb 0.69 0.35 -0.13 0.00 -0.73 0.00 0.00 40.66 40.84 1a5u h LEU 1087CO -0.49 -0.55 0.12 0.03 -0.62 0.00 0.00 178.44 176.93 1a5u h ARG 1088N -0.85 0.18 -0.45 1.25 3.08 -0.46 0.30 114.38 117.43 1a5u h ARG 1088Ca -0.06 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.03 1a5u h ARG 1088Cb 0.72 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.69 1a5u h ARG 1088CO -0.02 0.12 0.19 0.28 -1.07 0.00 0.00 179.97 179.47 1a5u h VAL 1089N 0.18 0.91 -0.82 2.04 2.07 -0.28 -1.52 116.25 118.83 1a5u h VAL 1089Ca 0.45 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.86 1a5u h VAL 1089Cb 0.82 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1a5u h VAL 1089CO -0.61 0.07 0.54 0.78 0.02 0.00 0.00 177.57 178.37 1a5u h ASN 1090N 0.39 0.91 0.08 0.57 2.35 0.16 -0.27 115.58 119.77 1a5u h ASN 1090Ca 0.20 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1a5u h ASN 1090Cb 0.16 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 1a5u h ASN 1090CO -0.18 0.64 -0.28 0.25 -1.65 0.00 0.00 177.43 176.22 1a5u h LEU 1091N 1.07 -0.80 -1.90 1.61 5.85 0.28 0.31 115.31 121.73 1a5u h LEU 1091Ca 0.32 0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.23 1a5u h LEU 1091Cb -0.04 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1a5u h LEU 1091CO -0.08 -0.36 0.29 0.00 -0.34 0.00 0.00 178.44 177.95 1a5u h ALA 1092N 0.27 2.23 -0.29 1.25 0.00 -0.86 -0.68 119.26 121.19 1a5u h ALA 1092Ca 0.04 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1a5u h ALA 1092Cb 0.51 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1a5u h ALA 1092CO -0.18 -0.34 -0.11 1.98 0.00 0.00 0.00 179.25 180.60 1a5u h MET 1093N 0.12 0.58 0.00 0.00 4.05 0.12 -2.49 114.93 117.31 1a5u h MET 1093Ca 0.19 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 1a5u h MET 1093Cb 0.61 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1a5u h MET 1093CO -0.02 0.80 -0.06 -0.91 0.23 0.00 0.00 176.91 176.95 1a5u h ASN 1094N 0.33 0.00 0.13 1.39 4.21 0.63 -2.67 115.58 119.59 1a5u h ASN 1094Ca 0.07 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.57 1a5u h ASN 1094Cb 0.61 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 1a5u h ASN 1094CO 0.04 0.06 -0.06 0.58 -1.29 0.00 0.00 177.43 176.76 1a5u h VAL 1095N 0.00 0.00 -0.87 2.81 2.07 -1.13 -0.27 116.25 118.86 1a5u h VAL 1095Ca -0.00 -0.58 0.25 0.00 0.82 0.00 0.00 66.70 67.19 1a5u h VAL 1095Cb 0.46 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1a5u h VAL 1095CO 0.01 0.00 0.69 1.23 0.02 0.00 0.00 177.57 179.52 1a5u h GLY 1096N -0.75 0.00 0.18 2.17 0.00 -1.44 1.78 103.07 105.01 1a5u h GLY 1096Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1a5u h GLY 1096CO 0.03 0.00 -0.02 0.50 0.00 0.00 0.00 176.54 177.05 1a5u h LYS 1097N 0.00 -0.06 -0.51 4.80 1.57 -1.55 0.95 116.57 121.78 1a5u h LYS 1097Ca 0.41 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.25 1a5u h LYS 1097Cb 1.79 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 34.09 1a5u h LYS 1097CO -0.00 0.58 0.34 0.00 -0.57 0.00 0.00 179.45 179.80 1a5u h ALA 1098N -0.12 1.84 0.00 3.86 0.00 0.16 -2.30 119.26 122.70 1a5u h ALA 1098Ca -0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1a5u h ALA 1098Cb 0.67 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1a5u h ALA 1098CO 0.01 0.09 -0.96 0.00 0.00 0.00 0.00 179.25 178.38 1a5u h ARG 1099N 0.50 0.00 0.00 0.00 -0.00 0.25 -3.48 114.38 111.65 1a5u h ARG 1099Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.69 1a5u h ARG 1099Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.18 1a5u h ARG 1099CO -0.06 0.48 0.00 0.41 0.00 0.00 0.00 179.97 180.80 1a5u n GLY 1100N 1.32 1.02 0.17 0.04 0.00 0.11 -4.93 105.19 102.92 1a5u n GLY 1100Ca -0.03 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.74 1a5u n GLY 1100CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1a5u h PHE 1101N 0.00 0.00 -2.37 1.61 0.04 0.45 -3.45 116.94 113.22 1a5u h PHE 1101Ca 0.00 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.95 1a5u h PHE 1101Cb 0.10 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.18 1a5u h PHE 1101CO 0.00 0.26 0.53 -0.59 -0.60 0.00 0.00 178.31 177.91 1a5u s PHE 1102N -3.09 -0.05 0.17 -0.55 -0.12 -1.11 -4.89 117.98 108.35 1a5u s PHE 1102Ca 0.05 -0.29 0.01 0.00 -0.05 0.00 0.00 56.93 56.65 1a5u s PHE 1102Cb 0.07 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 43.07 1a5u s PHE 1102CO 0.72 -0.85 0.04 -1.59 -0.05 0.00 0.00 175.22 173.48 1a5u s LYS 1103N -2.84 1.10 0.17 1.99 -2.85 -1.26 -4.22 119.74 111.83 1a5u s LYS 1103Ca 0.16 -1.54 -0.33 0.00 -1.00 0.00 0.00 55.97 53.25 1a5u s LYS 1103Cb -0.02 -0.10 -0.14 0.00 -2.06 0.00 0.00 37.83 35.52 1a5u s LYS 1103CO 0.03 -0.20 1.49 1.63 0.10 0.00 0.00 175.35 178.40 1a5u n LYS 1104N -0.23 1.97 0.00 1.78 5.02 -1.26 -1.10 118.16 124.34 1a5u n LYS 1104Ca -0.05 0.71 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1a5u n LYS 1104Cb 0.64 -2.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.22 1a5u n LYS 1104CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a5u n GLY 1105N 2.94 2.67 3.82 0.72 0.00 0.44 -4.94 105.19 110.83 1a5u n GLY 1105Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1a5u n GLY 1105CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1a5u s ASP 1106N -1.40 5.15 0.06 1.61 1.01 -0.26 -4.72 116.67 118.11 1a5u s ASP 1106Ca 0.00 1.54 0.01 0.00 0.71 0.00 0.00 52.55 54.81 1a5u s ASP 1106Cb 0.00 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 1a5u s ASP 1106CO 0.00 -1.58 0.16 0.54 0.21 0.00 0.00 175.17 174.50 1a5u s VAL 1107N -3.07 5.10 0.01 -1.27 0.11 -1.26 -0.89 120.40 119.13 1a5u s VAL 1107Ca 0.59 -0.49 -0.05 0.00 -2.93 0.00 0.00 61.98 59.09 1a5u s VAL 1107Cb -0.14 -3.46 -0.01 0.00 -1.53 0.00 0.00 36.38 31.24 1a5u s VAL 1107CO 0.55 0.16 0.09 -0.69 -3.33 0.00 0.00 175.10 171.88 1a5u s VAL 1108N -1.45 0.10 -0.26 2.04 1.01 0.21 -1.20 120.40 120.85 1a5u s VAL 1108Ca 0.32 -0.83 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 1a5u s VAL 1108Cb -0.13 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 1a5u s VAL 1108CO 0.25 -0.46 0.32 -0.63 0.00 0.00 0.00 175.10 174.58 1a5u s ILE 1109N -1.66 5.22 -0.22 2.22 -1.09 -0.80 -0.25 121.20 124.63 1a5u s ILE 1109Ca -0.13 0.47 -0.03 0.00 -2.23 0.00 0.00 60.65 58.72 1a5u s ILE 1109Cb -0.07 -3.65 -0.01 0.00 -1.58 0.00 0.00 42.46 37.15 1a5u s ILE 1109CO -0.00 0.20 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.16 1a5u s VAL 1110N 1.85 3.28 -0.15 2.92 1.01 0.28 -0.63 120.40 128.97 1a5u s VAL 1110Ca 0.13 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 1a5u s VAL 1110Cb -0.16 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1a5u s VAL 1110CO 0.10 0.43 -0.05 -0.76 0.00 0.00 0.00 175.10 174.82 1a5u s LEU 1111N 1.45 3.20 0.25 3.92 1.43 0.16 -0.53 118.68 128.55 1a5u s LEU 1111Ca 0.06 -0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1a5u s LEU 1111Cb -0.14 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 1a5u s LEU 1111CO -0.04 0.17 0.40 0.42 0.23 0.00 0.00 176.35 177.53 1a5u s THR 1112N 0.37 0.00 -0.19 5.49 -4.23 0.18 -2.65 115.64 114.62 1a5u s THR 1112Ca -0.05 -1.56 -0.16 0.00 -1.18 0.00 0.00 61.69 58.74 1a5u s THR 1112Cb -0.14 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 1a5u s THR 1112CO 0.03 0.00 0.41 -0.83 -0.54 0.00 0.00 174.62 173.70 1a5u s GLY 1113N -3.08 2.13 0.14 3.99 0.00 -1.26 -0.09 107.32 109.15 1a5u s GLY 1113Ca 0.27 -0.47 -0.27 0.00 0.00 0.00 0.00 44.72 44.25 1a5u s GLY 1113CO 0.11 0.82 1.60 -0.25 0.00 0.00 0.00 173.10 175.38 1a5u h TRP 1114N 7.26 -1.00 -0.71 1.90 2.91 -1.92 -3.44 115.95 120.96 1a5u h TRP 1114Ca -0.37 0.04 -0.66 0.00 1.13 0.00 0.00 58.89 59.03 1a5u h TRP 1114Cb 1.16 0.46 -0.13 0.00 -0.51 0.00 0.00 29.16 30.15 1a5u h TRP 1114CO 0.67 -0.43 -0.52 1.03 -1.03 0.00 0.00 178.44 178.16 1a5u s ARG 1115N -5.96 2.15 0.33 2.65 0.52 -1.26 -4.96 118.95 112.43 1a5u s ARG 1115Ca -0.15 -2.36 0.26 0.00 -0.52 0.00 0.00 55.73 52.96 1a5u s ARG 1115Cb 0.10 -1.44 1.15 0.00 0.52 0.00 0.00 34.95 35.29 1a5u s ARG 1115CO 0.66 -0.35 1.77 -1.00 0.02 0.00 0.00 175.30 176.39 1a5u h PRO 1116N 1.43 0.00 -0.29 3.54 0.14 -1.99 -2.61 132.00 132.22 1a5u h PRO 1116Ca -0.43 0.00 -0.17 0.00 0.14 0.00 0.00 66.00 65.54 1a5u h PRO 1116Cb 1.31 0.00 -0.11 0.00 0.14 0.00 0.00 31.00 32.33 1a5u h PRO 1116CO 0.73 0.00 -0.28 0.41 0.14 0.00 0.00 178.00 179.00 1a5u n GLY 1117N -0.34 5.18 0.11 1.56 0.00 -1.26 -4.79 105.19 105.66 1a5u n GLY 1117Ca 0.01 -1.44 -0.08 0.00 0.00 0.00 0.00 46.02 44.51 1a5u n GLY 1117CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1a5u h SER 1118N 1.15 -0.21 0.00 1.61 0.02 -1.83 -3.47 113.55 110.82 1a5u h SER 1118Ca 0.17 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1a5u h SER 1118Cb 1.40 0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.08 1a5u h SER 1118CO 0.33 -0.08 0.00 0.61 -1.14 0.00 0.00 176.83 176.56 1a5u n GLY 1119N -1.21 3.39 3.71 -3.77 0.00 -1.26 -5.00 105.19 101.05 1a5u n GLY 1119Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1a5u n GLY 1119CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1a5u s PHE 1120N -2.98 -0.14 -0.75 1.61 -0.71 -1.26 -5.01 117.98 108.74 1a5u s PHE 1120Ca 0.00 -0.13 -0.27 0.00 -1.04 0.00 0.00 56.93 55.50 1a5u s PHE 1120Cb 0.00 0.62 0.03 0.00 -1.21 0.00 0.00 43.02 42.46 1a5u s PHE 1120CO 0.00 -0.73 1.30 0.95 -1.34 0.00 0.00 175.22 175.41 1a5u s THR 1121N -3.16 3.72 -1.40 -4.49 -4.23 -1.26 -3.98 115.64 100.84 1a5u s THR 1121Ca 0.12 0.33 0.18 0.00 -1.18 0.00 0.00 61.69 61.13 1a5u s THR 1121Cb -0.01 -4.91 -0.05 0.00 1.34 0.00 0.00 72.50 68.88 1a5u s THR 1121CO 0.00 -1.84 0.86 -0.46 -0.54 0.00 0.00 174.62 172.64 1a5u n ASN 1122N 9.43 1.48 -4.33 3.99 6.94 0.36 -4.76 115.26 128.38 1a5u n ASN 1122Ca 0.05 -1.24 -0.36 0.00 -0.02 0.00 0.00 54.58 53.02 1a5u n ASN 1122Cb 0.49 0.62 -0.14 0.00 -2.36 0.00 0.00 39.78 38.39 1a5u n ASN 1122CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1a5u s THR 1123N -2.20 3.58 -0.05 5.53 2.01 0.88 -4.92 115.64 120.47 1a5u s THR 1123Ca 0.12 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.64 1a5u s THR 1123Cb 0.14 -2.70 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 1a5u s THR 1123CO 0.51 0.32 -0.18 -0.32 -0.69 0.00 0.00 174.62 174.27 1a5u s MET 1124N 1.49 2.51 -0.05 4.92 1.75 -1.26 -0.65 119.30 128.01 1a5u s MET 1124Ca 0.05 -0.77 -0.05 0.00 -1.25 0.00 0.00 55.69 53.67 1a5u s MET 1124Cb -0.15 -2.30 0.02 0.00 2.84 0.00 0.00 34.83 35.23 1a5u s MET 1124CO -0.01 0.54 0.14 0.50 -0.65 0.00 0.00 175.02 175.54 1a5u s ARG 1125N -0.52 0.16 -0.19 4.11 3.52 0.31 -4.95 118.95 121.38 1a5u s ARG 1125Ca 0.07 0.21 -0.17 0.00 -0.13 0.00 0.00 55.73 55.71 1a5u s ARG 1125Cb -0.11 0.07 -0.04 0.00 -1.56 0.00 0.00 34.95 33.30 1a5u s ARG 1125CO 0.01 -0.03 0.43 0.08 -0.81 0.00 0.00 175.30 174.98 1a5u s VAL 1126N 0.14 5.18 0.12 7.11 1.01 -1.26 0.10 120.40 132.80 1a5u s VAL 1126Ca -0.01 0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.77 1a5u s VAL 1126Cb -0.02 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 1a5u s VAL 1126CO -0.00 0.25 -0.01 -0.69 0.00 0.00 0.00 175.10 174.65 1a5u s VAL 1127N 1.23 0.47 -0.13 2.92 1.01 0.65 -4.95 120.40 121.60 1a5u s VAL 1127Ca 0.21 -1.92 -0.04 0.00 0.00 0.00 0.00 61.98 60.23 1a5u s VAL 1127Cb -0.15 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 1a5u s VAL 1127CO 0.08 -0.68 0.03 -2.84 0.00 0.00 0.00 175.10 171.69 1a5u s PRO 1128N -3.92 3.40 0.16 2.72 0.02 -1.26 0.64 135.00 136.75 1a5u s PRO 1128Ca 0.17 -0.37 -0.31 0.00 0.02 0.00 0.00 61.00 60.52 1a5u s PRO 1128Cb 0.06 -2.97 -0.08 0.00 0.02 0.00 0.00 34.50 31.53 1a5u s PRO 1128CO -0.02 0.54 1.37 0.08 -0.33 0.00 0.00 177.00 178.64 1a5u s VAL 1129N -0.40 3.18 -2.00 3.83 1.01 -0.07 -4.88 120.40 121.07 1a5u s VAL 1129Ca 0.08 0.90 0.12 0.00 0.00 0.00 0.00 61.98 63.08 1a5u s VAL 1129Cb -0.12 -3.58 0.33 0.00 0.00 0.00 0.00 36.38 33.01 1a5u s VAL 1129CO 0.02 0.10 1.13 -2.65 0.00 0.00 0.00 175.10 173.70