#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3itm n ASP 580 N 0.00 0.00 0.31 1.67 8.00 -1.26 -4.11 116.55 121.17 3itm n ASP 580 Ca 0.00 0.00 0.19 0.00 0.71 0.00 0.00 54.79 55.69 3itm n ASP 580 Cb 0.00 0.00 1.04 0.00 -0.02 0.00 0.00 41.12 42.14 3itm n ASP 580 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3itm h GLU 581 N 0.00 0.00 0.00 -1.24 5.08 -2.03 -3.20 114.58 113.19 3itm h GLU 581 Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3itm h GLU 581 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3itm h GLU 581 CO 0.00 0.01 -0.46 -0.92 -1.00 0.00 0.00 179.01 176.64 3itm h TYR 582 N 0.00 0.00 -0.92 4.33 3.20 -1.99 -3.12 116.97 118.47 3itm h TYR 582 Ca -0.00 0.00 0.24 0.00 3.14 0.00 0.00 58.73 62.11 3itm h TYR 582 Cb 0.07 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 38.16 3itm h TYR 582 CO 0.00 0.94 -0.02 2.41 -1.64 0.00 0.00 178.16 179.85 3itm n THR 583 N -4.57 -0.39 -0.31 1.81 -1.04 -1.21 -0.12 114.28 108.45 3itm n THR 583 Ca -0.16 2.04 -0.04 0.00 -2.04 0.00 0.00 64.05 63.85 3itm n THR 583 Cb 0.46 -2.96 0.08 0.00 -1.82 0.00 0.00 70.33 66.09 3itm n THR 583 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3itm h LYS 584 N 0.00 1.16 -0.52 -2.82 1.63 -1.64 -0.85 116.57 113.53 3itm h LYS 584 Ca 0.54 -0.13 -0.11 0.00 -0.85 0.00 0.00 60.65 60.10 3itm h LYS 584 Cb 1.09 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 32.47 3itm h LYS 584 CO -0.88 0.84 -0.12 -0.07 -3.45 0.00 0.00 179.45 175.77 3itm h LEU 585 N 1.16 0.98 -0.02 5.20 3.38 -0.45 -3.14 115.31 122.41 3itm h LEU 585 Ca 0.29 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3itm h LEU 585 Cb 0.01 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.50 3itm h LEU 585 CO -0.05 1.10 -0.04 -0.07 0.09 0.00 0.00 178.44 179.48 3itm h LEU 586 N 0.87 0.07 -1.44 1.67 3.38 -0.82 -1.90 115.31 117.13 3itm h LEU 586 Ca 0.13 -0.55 0.33 0.00 0.09 0.00 0.00 57.88 57.88 3itm h LEU 586 Cb 0.68 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.31 3itm h LEU 586 CO 0.05 0.61 0.75 -0.74 0.09 0.00 0.00 178.44 179.20 3itm h HIS 587 N -0.47 0.55 0.00 1.13 2.76 -1.26 -3.21 115.15 114.64 3itm h HIS 587 Ca 0.00 0.02 -0.20 0.00 -2.20 0.00 0.00 60.37 58.00 3itm h HIS 587 Cb 0.60 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.38 3itm h HIS 587 CO 0.12 -0.03 -1.09 -0.44 -1.30 0.00 0.00 177.93 175.18 3itm h ASP 588 N 0.25 0.00 -3.96 3.26 3.32 -1.49 -3.52 116.42 114.29 3itm h ASP 588 Ca 0.67 -0.54 0.03 0.00 0.02 0.00 0.00 57.03 57.21 3itm h ASP 588 Cb 1.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.49 3itm h ASP 588 CO -0.31 1.41 -0.08 0.61 -1.72 0.00 0.00 179.24 179.15 3itm n GLY 589 N 1.46 -2.10 3.71 2.75 0.00 -0.72 -4.91 105.19 105.38 3itm n GLY 589 Ca -0.29 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 3itm n GLY 589 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3itm s ILE 590 N -2.25 3.73 0.21 -0.61 1.01 -1.26 -4.99 121.20 117.04 3itm s ILE 590 Ca 0.00 1.24 -0.26 0.00 0.00 0.00 0.00 60.65 61.62 3itm s ILE 590 Cb 0.00 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.59 3itm s ILE 590 CO 0.00 0.10 0.85 -1.10 0.00 0.00 0.00 174.94 174.78 3itm s GLN 591 N 1.07 4.64 0.29 2.79 -1.52 -1.26 -5.05 119.66 120.62 3itm s GLN 591 Ca 0.61 1.27 -0.29 0.00 -1.95 0.00 0.00 55.36 55.00 3itm s GLN 591 Cb -0.33 -3.18 -0.09 0.00 -0.22 0.00 0.00 33.01 29.19 3itm s GLN 591 CO 0.30 0.51 1.09 -1.25 -0.25 0.00 0.00 175.29 175.68 3itm s PRO 592 N -1.34 4.62 0.25 2.91 0.05 -1.26 -4.49 135.00 135.74 3itm s PRO 592 Ca 0.40 1.76 -0.08 0.00 0.05 0.00 0.00 61.00 63.13 3itm s PRO 592 Cb -0.23 -3.15 0.40 0.00 0.05 0.00 0.00 34.50 31.58 3itm s PRO 592 CO 0.27 0.20 1.45 0.28 0.05 0.00 0.00 177.00 179.26 3itm n VAL 593 N 1.11 -0.40 1.08 -0.36 0.31 -1.26 -0.32 118.33 118.49 3itm n VAL 593 Ca -0.01 2.13 0.10 0.00 -0.01 0.00 0.00 64.34 66.55 3itm n VAL 593 Cb 0.45 -2.93 0.54 0.00 -0.91 0.00 0.00 33.84 30.99 3itm n VAL 593 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3itm n ALA 594 N -3.64 2.14 0.10 3.52 0.00 -1.26 -1.37 120.51 120.00 3itm n ALA 594 Ca 0.14 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3itm n ALA 594 Cb 0.45 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.52 3itm n ALA 594 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3itm n ALA 595 N -1.16 2.70 -0.02 0.00 0.00 0.56 -4.21 120.51 118.38 3itm n ALA 595 Ca 0.12 -0.35 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 3itm n ALA 595 Cb 0.12 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.50 3itm n ALA 595 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3itm h ILE 596 N 0.00 1.40 -1.67 0.00 2.04 -1.23 -3.48 117.51 114.58 3itm h ILE 596 Ca 0.00 -1.25 0.04 0.00 1.00 0.00 0.00 64.86 64.65 3itm h ILE 596 Cb 0.98 2.18 -0.25 0.00 -0.74 0.00 0.00 36.82 38.99 3itm h ILE 596 CO 0.00 0.33 0.41 -0.62 0.00 0.00 0.00 178.15 178.27 3itm s ASP 597 N -5.82 -0.49 0.37 1.72 -1.08 -1.23 -5.02 116.67 105.13 3itm s ASP 597 Ca -0.16 0.92 0.26 0.00 -0.52 0.00 0.00 52.55 53.05 3itm s ASP 597 Cb 0.02 0.92 1.31 0.00 -1.46 0.00 0.00 42.92 43.72 3itm s ASP 597 CO 0.69 -0.19 1.78 0.28 0.52 0.00 0.00 175.17 178.26 3itm h SER 598 N 4.18 0.00 -0.30 -0.34 0.02 -1.89 -2.21 113.55 113.01 3itm h SER 598 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3itm h SER 598 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3itm h SER 598 CO 0.12 0.00 0.00 -3.20 -1.14 0.00 0.00 176.83 172.61 3itm n ASN 599 N -2.40 2.79 -0.13 3.07 2.85 -1.26 -4.69 115.26 115.49 3itm n ASN 599 Ca -0.01 -1.90 0.24 0.00 -0.11 0.00 0.00 54.58 52.81 3itm n ASN 599 Cb 0.09 -0.20 0.68 0.00 1.24 0.00 0.00 39.78 41.60 3itm n ASN 599 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 3itm h PHE 600 N 2.22 0.07 -0.57 1.20 3.04 -1.72 0.03 116.94 121.22 3itm h PHE 600 Ca 0.00 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 3itm h PHE 600 Cb 0.70 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 39.19 3itm h PHE 600 CO 0.20 0.02 0.00 0.00 -2.02 0.00 0.00 178.31 176.51 3itm n ALA 601 N -2.66 2.80 -2.86 2.41 0.00 -1.26 -4.92 120.51 114.02 3itm n ALA 601 Ca 0.16 -1.55 -0.33 0.00 0.00 0.00 0.00 53.44 51.71 3itm n ALA 601 Cb 0.81 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 19.34 3itm n ALA 601 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3itm s SER 602 N -1.05 6.12 0.58 0.00 0.15 -0.00 -4.84 113.70 114.65 3itm s SER 602 Ca 0.45 0.27 0.39 0.00 0.70 0.00 0.00 55.95 57.76 3itm s SER 602 Cb 0.28 -1.87 1.99 0.00 -1.71 0.00 0.00 66.02 64.72 3itm s SER 602 CO 0.23 0.27 2.17 -0.26 1.20 0.00 0.00 173.24 176.85 3itm h PHE 603 N 3.92 0.00 0.00 3.44 0.04 -1.92 -1.47 116.94 120.95 3itm h PHE 603 Ca -0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.28 3itm h PHE 603 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 3itm h PHE 603 CO 0.66 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 178.62 3itm n THR 604 N -2.93 0.43 -2.66 -1.55 -2.24 -1.26 -4.84 114.28 99.23 3itm n THR 604 Ca -0.02 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.33 3itm n THR 604 Cb 0.12 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.62 3itm n THR 604 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3itm s TYR 605 N -3.07 3.81 -0.52 4.78 5.04 -0.56 -4.92 117.35 121.91 3itm s TYR 605 Ca 0.11 1.79 -0.09 0.00 -2.44 0.00 0.00 57.07 56.44 3itm s TYR 605 Cb 0.14 -3.10 0.13 0.00 0.35 0.00 0.00 41.96 39.48 3itm s TYR 605 CO 0.49 0.04 0.39 0.95 -1.34 0.00 0.00 175.55 176.08 3itm s THR 606 N -0.69 4.27 0.55 4.34 -4.23 -1.26 -4.94 115.64 113.67 3itm s THR 606 Ca 0.45 -1.97 0.30 0.00 -1.18 0.00 0.00 61.69 59.28 3itm s THR 606 Cb -0.27 -3.79 0.44 0.00 1.34 0.00 0.00 72.50 70.22 3itm s THR 606 CO 0.33 -0.81 1.90 1.55 -0.54 0.00 0.00 174.62 177.05 3itm h PRO 607 N 8.24 0.00 0.00 3.99 0.13 -1.95 -2.01 132.00 140.41 3itm h PRO 607 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3itm h PRO 607 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3itm h PRO 607 CO 0.84 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 179.15 3itm n ARG 608 N -4.10 0.14 0.00 0.86 1.74 -1.26 -1.11 116.66 112.92 3itm n ARG 608 Ca 0.14 0.55 0.14 0.00 -0.77 0.00 0.00 57.85 57.91 3itm n ARG 608 Cb 0.84 -1.88 0.47 0.00 -1.02 0.00 0.00 32.46 30.87 3itm n ARG 608 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3itm n SER 609 N -2.16 1.65 -4.75 0.55 3.41 -0.75 -4.87 113.62 106.70 3itm n SER 609 Ca -0.00 -1.54 -0.41 0.00 -0.26 0.00 0.00 58.87 56.67 3itm n SER 609 Cb 0.09 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.00 3itm n SER 609 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3itm s LEU 610 N -2.02 4.55 0.43 1.04 2.96 -0.27 -4.99 118.68 120.38 3itm s LEU 610 Ca 0.36 2.08 -0.26 0.00 -0.22 0.00 0.00 54.13 56.09 3itm s LEU 610 Cb 0.21 -3.61 -0.09 0.00 0.50 0.00 0.00 46.19 43.20 3itm s LEU 610 CO 0.34 -0.09 1.46 -2.84 -1.32 0.00 0.00 176.35 173.90 3itm s PRO 611 N -0.86 3.82 0.47 0.98 0.02 -1.26 -4.86 135.00 133.31 3itm s PRO 611 Ca 0.46 2.50 0.14 0.00 0.02 0.00 0.00 61.00 64.11 3itm s PRO 611 Cb -0.29 -2.76 1.12 0.00 0.02 0.00 0.00 34.50 32.59 3itm s PRO 611 CO 0.36 -0.74 2.08 1.49 -0.33 0.00 0.00 177.00 179.86 3itm h GLU 612 N 2.55 0.23 0.00 5.54 4.81 -1.95 -1.76 114.58 124.00 3itm h GLU 612 Ca -0.51 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3itm h GLU 612 Cb 1.26 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3itm h GLU 612 CO 0.62 0.15 0.00 -0.44 -0.73 0.00 0.00 179.01 178.61 3itm h ASP 613 N 0.24 0.00 -0.23 1.04 3.32 -2.04 -2.64 116.42 116.11 3itm h ASP 613 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3itm h ASP 613 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3itm h ASP 613 CO -0.02 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 177.97 3itm n ASP 614 N -2.62 3.25 0.10 6.45 9.92 -0.66 -4.52 116.55 128.46 3itm n ASP 614 Ca 0.01 -1.99 -0.05 0.00 -0.53 0.00 0.00 54.79 52.23 3itm n ASP 614 Cb 0.21 -0.14 0.03 0.00 -0.64 0.00 0.00 41.12 40.58 3itm n ASP 614 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 3itm h THR 615 N 4.54 1.56 0.17 -3.53 1.35 -1.48 -2.30 112.91 113.21 3itm h THR 615 Ca 0.00 -2.71 -0.01 0.00 -0.55 0.00 0.00 66.41 63.14 3itm h THR 615 Cb 0.99 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.88 3itm h THR 615 CO 0.00 0.78 -0.08 0.28 -0.25 0.00 0.00 175.52 176.25 3itm h SER 616 N 0.02 -0.19 0.57 5.36 0.02 -1.79 -1.67 113.55 115.87 3itm h SER 616 Ca -0.02 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3itm h SER 616 Cb 1.43 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 64.02 3itm h SER 616 CO 0.11 -0.08 -0.13 0.00 -1.14 0.00 0.00 176.83 175.59 3itm h MET 617 N -0.29 0.00 -0.02 3.45 -0.00 -1.84 -2.21 114.93 114.02 3itm h MET 617 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 59.50 3itm h MET 617 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.81 3itm h MET 617 CO 0.04 0.13 -0.79 0.00 -0.00 0.00 0.00 176.91 176.29 3itm h ALA 618 N 1.87 0.62 -0.44 -3.00 0.00 -1.10 -0.58 119.26 116.63 3itm h ALA 618 Ca -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 3itm h ALA 618 Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3itm h ALA 618 CO 0.02 0.85 0.23 0.82 0.00 0.00 0.00 179.25 181.17 3itm h ILE 619 N 0.14 1.17 -0.58 0.00 1.08 -0.74 -1.40 117.51 117.19 3itm h ILE 619 Ca -0.03 -0.46 -0.03 0.00 -0.39 0.00 0.00 64.86 63.95 3itm h ILE 619 Cb 1.38 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 35.76 3itm h ILE 619 CO 0.12 0.18 0.25 -0.07 -0.69 0.00 0.00 178.15 177.95 3itm h LEU 620 N 0.58 0.78 -0.98 1.44 3.38 -1.21 -2.00 115.31 117.30 3itm h LEU 620 Ca 0.15 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3itm h LEU 620 Cb 0.08 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3itm h LEU 620 CO -0.02 0.71 0.32 0.28 0.09 0.00 0.00 178.44 179.82 3itm h SER 621 N 0.79 0.96 -0.29 -0.43 0.02 -0.95 -1.38 113.55 112.27 3itm h SER 621 Ca 0.20 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3itm h SER 621 Cb 0.16 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3itm h SER 621 CO -0.02 0.83 0.09 0.24 -1.14 0.00 0.00 176.83 176.83 3itm h MET 622 N 1.04 0.45 -0.29 3.45 2.86 -0.92 -0.21 114.93 121.30 3itm h MET 622 Ca 0.25 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 3itm h MET 622 Cb 0.15 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3itm h MET 622 CO -0.03 0.51 0.08 -0.07 1.06 0.00 0.00 176.91 178.46 3itm h LEU 623 N 0.30 0.37 -0.01 1.22 3.38 -1.14 -0.85 115.31 118.59 3itm h LEU 623 Ca 0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3itm h LEU 623 Cb 0.25 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3itm h LEU 623 CO -0.00 0.38 -0.10 -0.61 0.09 0.00 0.00 178.44 178.20 3itm h GLN 624 N 0.41 0.09 0.00 1.13 4.15 -0.95 -0.63 115.11 119.32 3itm h GLN 624 Ca 0.10 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 3itm h GLN 624 Cb 0.15 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.86 3itm h GLN 624 CO -0.00 0.77 -0.06 0.22 -1.93 0.00 0.00 178.83 177.82 3itm h ASP 625 N -0.55 0.00 0.01 -0.69 1.82 -0.87 0.22 116.42 116.36 3itm h ASP 625 Ca -0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 3itm h ASP 625 Cb 0.79 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.80 3itm h ASP 625 CO 0.02 0.06 -0.01 0.23 -1.61 0.00 0.00 179.24 177.94 3itm n MET 626 N -3.82 1.29 -1.06 0.28 2.81 -0.34 -4.93 117.12 111.36 3itm n MET 626 Ca -0.02 -0.46 -0.02 0.00 -1.81 0.00 0.00 57.70 55.39 3itm n MET 626 Cb 0.16 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.17 3itm n MET 626 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3itm n ASN 627 N -0.45 -4.08 0.11 7.83 3.02 0.77 -4.91 115.26 117.55 3itm n ASN 627 Ca 0.21 0.05 -0.01 0.00 -0.03 0.00 0.00 54.58 54.80 3itm n ASN 627 Cb 0.23 -1.76 0.25 0.00 -0.61 0.00 0.00 39.78 37.89 3itm n ASN 627 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3itm h PHE 628 N 0.00 0.22 0.06 3.10 0.05 -1.32 -1.86 116.94 117.19 3itm h PHE 628 Ca -0.04 -0.06 -0.00 0.00 3.82 0.00 0.00 57.97 61.69 3itm h PHE 628 Cb 0.41 -0.05 0.00 0.00 2.00 0.00 0.00 35.95 38.31 3itm h PHE 628 CO 0.23 0.57 -0.03 0.82 -0.18 0.00 0.00 178.31 179.72 3itm h ILE 629 N 0.16 1.25 -0.20 -0.55 2.04 -1.85 -2.16 117.51 116.20 3itm h ILE 629 Ca 0.01 -1.36 -0.19 0.00 1.00 0.00 0.00 64.86 64.33 3itm h ILE 629 Cb 0.79 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 3itm h ILE 629 CO 0.06 0.32 -0.63 -0.55 0.00 0.00 0.00 178.15 177.36 3itm h ASN 630 N -0.73 0.81 -0.06 1.72 -0.00 -1.89 0.15 115.58 115.58 3itm h ASN 630 Ca -0.01 -0.47 -0.06 0.00 -0.00 0.00 0.00 56.30 55.77 3itm h ASN 630 Cb 0.60 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.67 3itm h ASN 630 CO 0.01 1.24 -0.12 0.78 -0.00 0.00 0.00 177.43 179.34 3itm h ASN 631 N 0.52 0.34 -0.73 6.14 2.35 -1.41 -1.67 115.58 121.13 3itm h ASN 631 Ca -0.01 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3itm h ASN 631 Cb 1.22 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.50 3itm h ASN 631 CO 0.13 0.50 0.00 -1.22 -1.65 0.00 0.00 177.43 175.19 3itm n TYR 632 N -4.24 0.97 -4.10 1.19 4.02 -0.81 -4.98 117.16 109.20 3itm n TYR 632 Ca 0.00 -0.49 -0.28 0.00 -0.01 0.00 0.00 57.90 57.12 3itm n TYR 632 Cb 0.29 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.56 3itm n TYR 632 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 3itm n LYS 633 N 1.66 -2.42 -2.63 -0.72 5.02 -0.07 -4.88 118.16 114.13 3itm n LYS 633 Ca 0.25 0.29 -0.42 0.00 -2.02 0.00 0.00 58.31 56.40 3itm n LYS 633 Cb 0.63 -4.21 -0.03 0.00 -0.02 0.00 0.00 35.03 31.40 3itm n LYS 633 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3itm s ILE 634 N -4.09 4.64 0.10 -0.18 1.01 -0.52 -5.00 121.20 117.16 3itm s ILE 634 Ca 0.03 1.90 -0.31 0.00 0.00 0.00 0.00 60.65 62.28 3itm s ILE 634 Cb -0.02 -4.22 -0.09 0.00 0.01 0.00 0.00 42.46 38.14 3itm s ILE 634 CO 0.93 0.11 1.68 -0.62 0.00 0.00 0.00 174.94 177.04 3itm s ASP 635 N 1.08 6.55 0.08 3.58 2.15 -1.26 -4.90 116.67 123.95 3itm s ASP 635 Ca 0.53 2.58 -0.13 0.00 0.43 0.00 0.00 52.55 55.96 3itm s ASP 635 Cb -0.22 -2.57 -0.21 0.00 -0.30 0.00 0.00 42.92 39.62 3itm s ASP 635 CO 0.26 -0.91 1.21 0.00 -0.17 0.00 0.00 175.17 175.56 3itm h PRO 637 N 0.39 0.50 -0.76 0.00 0.11 -1.98 0.17 132.00 130.43 3itm h PRO 637 Ca -0.12 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 3itm h PRO 637 Cb 1.66 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.63 3itm h PRO 637 CO 0.20 0.33 0.37 1.15 -0.21 0.00 0.00 178.00 179.84 3itm h THR 638 N 0.51 1.24 -0.77 -1.15 2.02 -1.73 -1.33 112.91 111.70 3itm h THR 638 Ca 0.40 -0.66 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3itm h THR 638 Cb 0.56 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 3itm h THR 638 CO -0.36 0.28 0.41 0.25 0.37 0.00 0.00 175.52 176.47 3itm h LEU 639 N 1.06 0.97 0.22 2.58 5.85 -0.64 -0.95 115.31 124.40 3itm h LEU 639 Ca 0.26 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3itm h LEU 639 Cb 0.10 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3itm h LEU 639 CO -0.03 0.80 -0.17 0.00 -0.34 0.00 0.00 178.44 178.70 3itm h ALA 640 N 1.21 -0.37 -1.01 1.25 0.00 -0.49 -0.75 119.26 119.10 3itm h ALA 640 Ca 0.27 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3itm h ALA 640 Cb 0.06 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3itm h ALA 640 CO -0.04 -0.73 0.67 0.00 0.00 0.00 0.00 179.25 179.15 3itm h ARG 641 N -0.40 1.31 -0.33 0.00 3.08 -0.93 0.08 114.38 117.19 3itm h ARG 641 Ca -0.01 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 3itm h ARG 641 Cb 0.35 -0.30 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3itm h ARG 641 CO -0.01 0.87 0.04 0.35 -1.07 0.00 0.00 179.97 180.14 3itm h PHE 642 N 1.35 0.59 -0.17 3.04 3.57 -0.91 -0.66 116.94 123.74 3itm h PHE 642 Ca 0.37 -0.09 -0.11 0.00 3.53 0.00 0.00 57.97 61.67 3itm h PHE 642 Cb -0.14 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.43 3itm h PHE 642 CO -0.00 0.64 -0.38 0.00 -2.23 0.00 0.00 178.31 176.34 3itm h LEU 644 N 0.31 0.78 -0.39 0.00 3.38 -0.85 -2.71 115.31 115.84 3itm h LEU 644 Ca 0.03 -0.24 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 3itm h LEU 644 Cb 0.81 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3itm h LEU 644 CO 0.07 0.92 -0.33 -0.03 0.09 0.00 0.00 178.44 179.15 3itm h MET 645 N 0.72 0.91 -0.45 1.13 4.05 -0.47 -1.66 114.93 119.14 3itm h MET 645 Ca 0.12 -0.46 -0.11 0.00 -0.28 0.00 0.00 59.70 58.97 3itm h MET 645 Cb 0.60 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.40 3itm h MET 645 CO 0.04 1.11 -0.16 -0.39 0.23 0.00 0.00 176.91 177.74 3itm h VAL 646 N 0.72 1.27 -0.65 -5.77 -1.51 -1.07 -2.47 116.25 106.78 3itm h VAL 646 Ca 0.07 -1.30 -0.03 0.00 -1.23 0.00 0.00 66.70 64.21 3itm h VAL 646 Cb 0.92 1.16 -0.03 0.00 -2.13 0.00 0.00 31.29 31.21 3itm h VAL 646 CO 0.09 0.44 0.27 0.50 -1.23 0.00 0.00 177.57 177.64 3itm h LYS 647 N 0.75 0.94 0.00 5.19 3.64 -1.39 -1.09 116.57 124.61 3itm h LYS 647 Ca 0.11 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3itm h LYS 647 Cb 0.72 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3itm h LYS 647 CO 0.05 0.76 0.00 -0.22 -2.27 0.00 0.00 179.45 177.77 3itm h LYS 648 N 0.93 0.00 -0.00 1.90 1.63 -1.09 -2.91 116.57 117.03 3itm h LYS 648 Ca 0.22 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 3itm h LYS 648 Cb 0.16 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 3itm h LYS 648 CO -0.02 0.00 -0.35 0.41 -3.45 0.00 0.00 179.45 176.04 3itm n GLY 649 N 0.13 -1.07 3.77 5.01 0.00 -0.42 -4.85 105.19 107.76 3itm n GLY 649 Ca 0.01 -0.33 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 3itm n GLY 649 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3itm s TYR 650 N -2.81 3.80 0.99 1.61 1.51 -1.10 -4.94 117.35 116.40 3itm s TYR 650 Ca 0.17 1.79 -0.16 0.00 -1.01 0.00 0.00 57.07 57.85 3itm s TYR 650 Cb 0.18 -2.91 0.21 0.00 -0.11 0.00 0.00 41.96 39.33 3itm s TYR 650 CO 0.61 0.32 1.30 1.03 -1.11 0.00 0.00 175.55 177.70 3itm s ARG 651 N -1.71 0.45 -0.47 -0.62 0.52 -1.26 -4.94 118.95 110.92 3itm s ARG 651 Ca 0.46 -0.37 0.07 0.00 -0.52 0.00 0.00 55.73 55.37 3itm s ARG 651 Cb -0.21 -1.82 0.39 0.00 0.52 0.00 0.00 34.95 33.83 3itm s ARG 651 CO 0.26 -2.55 1.00 -3.47 0.02 0.00 0.00 175.30 170.56 3itm n ASP 652 N -3.87 3.85 -4.83 0.23 2.03 -1.26 -4.32 116.55 108.38 3itm n ASP 652 Ca 0.15 -3.51 -0.29 0.00 0.52 0.00 0.00 54.79 51.66 3itm n ASP 652 Cb 0.59 -0.52 0.12 0.00 -0.72 0.00 0.00 41.12 40.59 3itm n ASP 652 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3itm s PRO 653 N -3.36 1.43 0.44 -0.67 0.04 -1.26 -4.92 135.00 126.70 3itm s PRO 653 Ca 0.45 0.23 0.14 0.00 0.04 0.00 0.00 61.00 61.86 3itm s PRO 653 Cb 0.36 -1.88 1.04 0.00 0.04 0.00 0.00 34.50 34.07 3itm s PRO 653 CO -0.13 -1.99 1.98 -1.35 0.04 0.00 0.00 177.00 175.55 3itm h PRO 654 N -1.34 0.38 0.00 0.56 0.11 -1.90 -3.38 132.00 126.43 3itm h PRO 654 Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 3itm h PRO 654 Cb 1.33 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 3itm h PRO 654 CO 0.63 0.25 -0.51 0.98 -0.21 0.00 0.00 178.00 179.15 3itm n TYR 655 N -4.47 0.00 -1.63 0.65 9.36 -1.26 -4.83 117.16 114.98 3itm n TYR 655 Ca 0.10 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.91 3itm n TYR 655 Cb 0.38 -0.14 -0.01 0.00 -0.63 0.00 0.00 39.34 38.94 3itm n TYR 655 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3itm n HIS 656 N -3.59 2.82 -4.53 2.98 8.25 -1.26 -4.35 115.22 115.54 3itm n HIS 656 Ca -0.05 -2.99 -0.23 0.00 -0.26 0.00 0.00 57.72 54.19 3itm n HIS 656 Cb 0.24 -2.37 -0.05 0.00 1.12 0.00 0.00 29.99 28.93 3itm n HIS 656 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3itm n ASN 657 N 4.08 2.94 -0.16 0.41 0.23 -1.26 -4.60 115.26 116.90 3itm n ASN 657 Ca 0.65 -2.56 -0.07 0.00 -0.53 0.00 0.00 54.58 52.07 3itm n ASN 657 Cb 0.29 0.26 0.01 0.00 -2.08 0.00 0.00 39.78 38.27 3itm n ASN 657 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 3itm h TRP 658 N 1.19 0.60 -0.99 -2.53 2.91 -1.89 -1.50 115.95 113.73 3itm h TRP 658 Ca -0.29 0.01 0.20 0.00 1.13 0.00 0.00 58.89 59.94 3itm h TRP 658 Cb 0.89 -0.20 -0.11 0.00 -0.51 0.00 0.00 29.16 29.23 3itm h TRP 658 CO 0.00 0.38 0.59 0.52 -1.03 0.00 0.00 178.44 178.90 3itm h MET 659 N 0.64 0.70 0.37 2.65 2.86 -1.97 0.89 114.93 121.07 3itm h MET 659 Ca 0.17 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 3itm h MET 659 Cb -0.07 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 3itm h MET 659 CO -0.04 0.46 -0.29 1.25 1.06 0.00 0.00 176.91 179.35 3itm h HIS 660 N 0.72 -0.77 -0.80 -0.22 -0.00 -1.50 -0.97 115.15 111.62 3itm h HIS 660 Ca 0.58 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.94 3itm h HIS 660 Cb 0.94 0.29 -0.04 0.00 -0.00 0.00 0.00 27.41 28.60 3itm h HIS 660 CO -0.01 -0.43 0.46 0.00 -0.00 0.00 0.00 177.93 177.95 3itm h ALA 661 N -0.12 1.02 -0.68 5.26 0.00 -0.31 -1.14 119.26 123.28 3itm h ALA 661 Ca -0.03 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.81 3itm h ALA 661 Cb 0.57 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3itm h ALA 661 CO -0.01 0.50 0.43 0.35 0.00 0.00 0.00 179.25 180.51 3itm h PHE 662 N 1.09 0.80 -0.02 0.00 3.57 0.82 -0.56 116.94 122.64 3itm h PHE 662 Ca 0.28 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.70 3itm h PHE 662 Cb -0.02 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 3itm h PHE 662 CO -0.00 0.45 -0.50 0.66 -2.23 0.00 0.00 178.31 176.69 3itm h SER 663 N 0.83 0.05 -0.22 0.41 4.64 -0.31 -0.12 113.55 118.83 3itm h SER 663 Ca 0.27 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.50 3itm h SER 663 Cb 0.02 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3itm h SER 663 CO -0.11 0.54 -0.13 0.58 -0.87 0.00 0.00 176.83 176.84 3itm h VAL 664 N 0.03 1.31 -0.27 0.95 2.07 -0.82 -0.99 116.25 118.53 3itm h VAL 664 Ca -0.00 -1.23 0.04 0.00 0.82 0.00 0.00 66.70 66.33 3itm h VAL 664 Cb 0.90 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 32.28 3itm h VAL 664 CO 0.07 0.38 0.01 0.28 0.02 0.00 0.00 177.57 178.32 3itm h SER 665 N 0.17 -0.09 -0.99 0.57 0.02 -0.91 -0.77 113.55 111.54 3itm h SER 665 Ca 0.04 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 3itm h SER 665 Cb 0.64 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 63.22 3itm h SER 665 CO 0.04 -0.01 0.64 -0.74 -1.14 0.00 0.00 176.83 175.62 3itm h HIS 666 N 0.09 1.19 -0.54 3.45 6.17 -0.87 -0.86 115.15 123.78 3itm h HIS 666 Ca 0.13 0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.19 3itm h HIS 666 Cb 0.16 -0.39 -0.02 0.00 2.52 0.00 0.00 27.41 29.67 3itm h HIS 666 CO -0.20 0.63 0.13 0.35 0.71 0.00 0.00 177.93 179.55 3itm h PHE 667 N 1.18 0.86 -0.50 5.26 3.57 -0.40 -1.38 116.94 125.52 3itm h PHE 667 Ca 0.42 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.89 3itm h PHE 667 Cb 0.14 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.58 3itm h PHE 667 CO -0.00 0.72 0.23 0.00 -2.23 0.00 0.00 178.31 177.03 3itm h TYR 669 N 0.45 0.61 -0.57 0.00 3.20 -0.74 -1.17 116.97 118.76 3itm h TYR 669 Ca 0.23 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 3itm h TYR 669 Cb 0.17 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 3itm h TYR 669 CO -0.12 0.30 0.27 -0.07 -1.64 0.00 0.00 178.16 176.90 3itm h LEU 670 N 0.63 0.72 -0.43 2.82 3.38 -0.14 0.13 115.31 122.42 3itm h LEU 670 Ca 0.27 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 3itm h LEU 670 Cb 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3itm h LEU 670 CO -0.16 0.62 -0.30 -0.07 0.09 0.00 0.00 178.44 178.62 3itm h LEU 671 N 0.80 1.01 -0.02 1.67 3.38 -0.10 0.55 115.31 122.60 3itm h LEU 671 Ca 0.20 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3itm h LEU 671 Cb 0.10 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3itm h LEU 671 CO -0.03 1.23 -0.18 0.22 0.09 0.00 0.00 178.44 179.78 3itm h TYR 672 N 0.80 -0.46 -0.38 1.13 3.20 -0.19 -0.68 116.97 120.39 3itm h TYR 672 Ca 0.08 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 3itm h TYR 672 Cb 0.89 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.36 3itm h TYR 672 CO 0.06 -0.26 -0.19 0.87 -1.64 0.00 0.00 178.16 177.01 3itm h LYS 673 N -0.28 0.80 0.00 1.82 1.79 -0.60 -2.76 116.57 117.34 3itm h LYS 673 Ca 0.06 -0.35 -0.17 0.00 -2.18 0.00 0.00 60.65 58.01 3itm h LYS 673 Cb 0.36 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.96 3itm h LYS 673 CO -0.19 0.98 -1.80 0.09 -1.08 0.00 0.00 179.45 177.45 3itm n ASN 674 N -4.26 0.42 -0.43 0.86 3.02 0.17 -4.07 115.26 110.95 3itm n ASN 674 Ca -0.02 0.18 0.09 0.00 -0.03 0.00 0.00 54.58 54.80 3itm n ASN 674 Cb 0.42 0.86 -0.00 0.00 -0.61 0.00 0.00 39.78 40.44 3itm n ASN 674 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3itm n LEU 675 N -2.68 1.82 -3.19 3.41 4.77 -0.27 -4.95 117.00 115.90 3itm n LEU 675 Ca -0.14 -0.77 -0.06 0.00 -0.03 0.00 0.00 56.01 55.01 3itm n LEU 675 Cb 0.84 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.95 3itm n LEU 675 CO 0.44 0.34 0.22 -0.62 -1.33 0.00 0.00 177.39 176.44 3itm n GLU 676 N -0.05 -1.48 0.27 3.23 1.02 -1.04 -4.87 120.64 117.71 3itm n GLU 676 Ca 0.08 1.28 0.18 0.00 -0.02 0.00 0.00 57.16 58.67 3itm n GLU 676 Cb 0.39 -5.36 0.78 0.00 -0.02 0.00 0.00 31.44 27.23 3itm n GLU 676 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3itm h LEU 677 N 0.03 0.00 -0.18 -4.62 3.38 -1.73 -3.00 115.31 109.20 3itm h LEU 677 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3itm h LEU 677 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3itm h LEU 677 CO 0.34 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.22 3itm n THR 678 N -2.96 1.00 1.19 0.22 -2.24 -1.26 -0.01 114.28 110.22 3itm n THR 678 Ca -0.00 0.26 0.13 0.00 -2.27 0.00 0.00 64.05 62.17 3itm n THR 678 Cb 0.24 -1.07 0.40 0.00 -2.10 0.00 0.00 70.33 67.80 3itm n THR 678 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3itm n ASN 679 N -1.68 0.71 -0.01 3.42 3.02 -1.13 -4.42 115.26 115.16 3itm n ASN 679 Ca 0.03 -0.57 -0.02 0.00 -0.03 0.00 0.00 54.58 54.00 3itm n ASN 679 Cb 0.17 0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 3itm n ASN 679 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3itm n TYR 680 N -1.00 0.00 -4.50 3.10 4.02 0.98 -5.00 117.16 114.76 3itm n TYR 680 Ca 0.10 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.75 3itm n TYR 680 Cb 0.33 -0.12 -0.10 0.00 -0.02 0.00 0.00 39.34 39.43 3itm n TYR 680 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3itm s LEU 681 N -4.80 2.64 0.66 7.72 1.43 0.22 -4.85 118.68 121.70 3itm s LEU 681 Ca -0.03 -1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 51.75 3itm s LEU 681 Cb 0.01 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.37 3itm s LEU 681 CO 0.08 -0.27 1.05 -1.61 0.23 0.00 0.00 176.35 175.83 3itm s GLU 682 N -3.66 3.16 0.16 1.70 2.02 -1.26 -4.59 118.70 116.23 3itm s GLU 682 Ca 0.32 0.94 -0.14 0.00 0.02 0.00 0.00 54.97 56.11 3itm s GLU 682 Cb 0.03 -2.02 0.04 0.00 0.10 0.00 0.00 34.13 32.29 3itm s GLU 682 CO 0.15 -0.92 1.72 -0.44 0.02 0.00 0.00 175.26 175.79 3itm h ASP 683 N -0.44 0.70 -0.82 -0.19 3.32 -1.97 -1.84 116.42 115.18 3itm h ASP 683 Ca -0.44 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.46 3itm h ASP 683 Cb 1.21 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.53 3itm h ASP 683 CO 0.58 0.66 0.53 -0.29 -1.72 0.00 0.00 179.24 179.00 3itm h ILE 684 N 0.69 1.22 -0.43 0.35 2.10 -1.99 -0.07 117.51 119.38 3itm h ILE 684 Ca 0.17 -0.42 -0.02 0.00 1.08 0.00 0.00 64.86 65.67 3itm h ILE 684 Cb 0.17 0.02 -0.02 0.00 -1.09 0.00 0.00 36.82 35.90 3itm h ILE 684 CO -0.02 0.22 0.18 -0.33 -1.08 0.00 0.00 178.15 177.12 3itm h GLU 685 N 1.12 0.65 -0.18 2.19 5.08 -1.79 -1.14 114.58 120.51 3itm h GLU 685 Ca 0.30 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3itm h GLU 685 Cb -0.10 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 3itm h GLU 685 CO -0.06 0.59 0.06 0.82 -1.00 0.00 0.00 179.01 179.42 3itm h ILE 686 N 0.56 1.17 -0.54 3.13 2.04 -0.60 -0.31 117.51 122.96 3itm h ILE 686 Ca 0.15 -0.54 0.09 0.00 1.00 0.00 0.00 64.86 65.56 3itm h ILE 686 Cb 0.18 1.20 -0.07 0.00 -0.74 0.00 0.00 36.82 37.39 3itm h ILE 686 CO -0.01 0.17 0.15 0.15 0.00 0.00 0.00 178.15 178.61 3itm h PHE 687 N 0.12 0.26 -0.82 1.37 -0.00 -1.00 -0.08 116.94 116.79 3itm h PHE 687 Ca 0.06 0.03 -0.01 0.00 -0.00 0.00 0.00 57.97 58.05 3itm h PHE 687 Cb 0.21 -0.03 -0.04 0.00 -0.00 0.00 0.00 35.95 36.08 3itm h PHE 687 CO -0.00 0.04 0.48 0.00 -0.00 0.00 0.00 178.31 178.83 3itm h ALA 688 N 1.40 1.31 -0.32 2.41 0.00 -0.88 -0.73 119.26 122.44 3itm h ALA 688 Ca 0.27 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3itm h ALA 688 Cb 0.35 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3itm h ALA 688 CO -0.31 0.59 0.09 1.25 0.00 0.00 0.00 179.25 180.87 3itm h LEU 689 N 1.13 0.48 -0.27 0.00 5.85 0.69 0.15 115.31 123.34 3itm h LEU 689 Ca 0.29 -0.21 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3itm h LEU 689 Cb -0.03 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 3itm h LEU 689 CO -0.05 0.56 -0.14 0.15 -0.34 0.00 0.00 178.44 178.63 3itm h PHE 690 N 0.36 0.66 -0.22 1.25 3.57 -0.69 -0.27 116.94 121.60 3itm h PHE 690 Ca 0.10 -0.16 -0.09 0.00 3.53 0.00 0.00 57.97 61.35 3itm h PHE 690 Cb 0.26 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3itm h PHE 690 CO 0.01 0.82 -0.24 0.82 -2.23 0.00 0.00 178.31 177.49 3itm h ILE 691 N 0.30 1.26 -0.87 1.41 1.08 -1.07 -1.69 117.51 117.93 3itm h ILE 691 Ca 0.06 -1.20 -0.01 0.00 -0.39 0.00 0.00 64.86 63.32 3itm h ILE 691 Cb 0.65 1.35 -0.04 0.00 -3.07 0.00 0.00 36.82 35.71 3itm h ILE 691 CO 0.04 0.38 0.50 0.28 -0.69 0.00 0.00 178.15 178.66 3itm h SER 692 N 0.37 1.06 -0.62 1.72 0.02 -0.26 -1.36 113.55 114.48 3itm h SER 692 Ca 0.06 -0.08 0.07 0.00 -0.84 0.00 0.00 61.79 61.00 3itm h SER 692 Cb 0.62 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.83 3itm h SER 692 CO 0.04 0.84 0.30 0.00 -1.14 0.00 0.00 176.83 176.87 3itm h MET 694 N 0.54 0.69 -0.00 0.00 2.07 -0.78 -3.20 114.93 114.25 3itm h MET 694 Ca 0.29 -0.16 0.00 0.00 -2.07 0.00 0.00 59.70 57.76 3itm h MET 694 Cb 0.27 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 29.90 3itm h MET 694 CO -0.23 0.69 -0.75 0.00 1.07 0.00 0.00 176.91 177.69 3itm n HIS 696 N -1.06 0.72 -1.17 0.00 1.44 0.22 -2.29 115.22 113.08 3itm n HIS 696 Ca 0.05 0.28 0.07 0.00 -2.01 0.00 0.00 57.72 56.10 3itm n HIS 696 Cb 0.33 -0.95 0.20 0.00 0.12 0.00 0.00 29.99 29.69 3itm n HIS 696 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3itm n ASP 697 N -2.15 2.85 0.14 4.39 8.00 -1.26 -4.79 116.55 123.74 3itm n ASP 697 Ca 0.02 -3.27 0.12 0.00 0.71 0.00 0.00 54.79 52.37 3itm n ASP 697 Cb 0.24 -0.52 0.63 0.00 -0.02 0.00 0.00 41.12 41.45 3itm n ASP 697 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3itm h LEU 698 N 0.92 0.05 -3.45 0.64 3.38 -1.78 -2.49 115.31 112.57 3itm h LEU 698 Ca 0.04 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.72 3itm h LEU 698 Cb 1.27 -0.01 -0.19 0.00 0.09 0.00 0.00 40.66 41.83 3itm h LEU 698 CO 0.15 0.03 -0.25 -0.67 0.09 0.00 0.00 178.44 177.79 3itm n ASP 699 N -4.48 3.39 -4.69 -0.43 2.03 -1.26 -4.68 116.55 106.42 3itm n ASP 699 Ca 0.02 -3.81 -0.42 0.00 0.52 0.00 0.00 54.79 51.10 3itm n ASP 699 Cb 0.26 -0.58 -0.03 0.00 -0.72 0.00 0.00 41.12 40.06 3itm n ASP 699 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3itm s HIS 700 N -3.39 2.91 -0.22 -0.67 5.65 -0.94 -4.74 115.29 113.89 3itm s HIS 700 Ca 0.47 0.82 0.05 0.00 0.25 0.00 0.00 55.06 56.65 3itm s HIS 700 Cb 0.41 -3.69 -0.17 0.00 -1.18 0.00 0.00 32.58 27.96 3itm s HIS 700 CO -0.01 -2.52 -0.15 0.54 -0.65 0.00 0.00 174.74 171.96 3itm n ARG 701 N 5.05 0.68 -0.92 2.88 5.12 -1.26 -5.01 116.66 123.20 3itm n ARG 701 Ca 0.13 0.10 0.00 0.00 -1.93 0.00 0.00 57.85 56.15 3itm n ARG 701 Cb 0.43 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 3itm n ARG 701 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3itm n GLY 702 N 2.28 0.48 3.57 -0.13 0.00 -1.26 -4.99 105.19 105.13 3itm n GLY 702 Ca -0.39 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 3itm n GLY 702 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3itm s THR 703 N -2.00 3.75 -0.90 2.61 2.01 -1.26 -4.96 115.64 114.88 3itm s THR 703 Ca 0.00 0.61 -0.17 0.00 0.31 0.00 0.00 61.69 62.44 3itm s THR 703 Cb 0.00 -4.46 0.17 0.00 0.01 0.00 0.00 72.50 68.22 3itm s THR 703 CO 0.00 -1.23 1.01 0.20 -0.69 0.00 0.00 174.62 173.91 3itm s ASN 704 N 4.61 6.70 -0.15 3.53 0.01 -1.26 -4.86 114.94 123.52 3itm s ASN 704 Ca 0.51 -2.32 0.15 0.00 -0.71 0.00 0.00 52.86 50.49 3itm s ASN 704 Cb -0.11 -2.33 0.39 0.00 0.41 0.00 0.00 41.25 39.62 3itm s ASN 704 CO 0.23 -0.87 1.19 0.59 -1.51 0.00 0.00 177.10 176.74 3itm n ASN 705 N 5.55 1.57 -3.98 -1.22 3.02 -1.26 -5.03 115.26 113.90 3itm n ASN 705 Ca 0.21 -3.34 -0.09 0.00 -0.03 0.00 0.00 54.58 51.33 3itm n ASN 705 Cb 0.48 -0.46 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 3itm n ASN 705 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3itm s SER 706 N -2.85 0.28 0.00 6.41 0.15 -1.26 -5.06 113.70 111.37 3itm s SER 706 Ca 0.35 -0.65 0.13 0.00 0.70 0.00 0.00 55.95 56.48 3itm s SER 706 Cb 0.35 0.19 0.19 0.00 -1.71 0.00 0.00 66.02 65.04 3itm s SER 706 CO -0.08 -0.48 1.04 0.49 1.20 0.00 0.00 173.24 175.41 3itm n PHE 707 N 0.79 0.17 -0.00 3.44 0.99 -1.26 -4.62 117.46 116.97 3itm n PHE 707 Ca -0.19 -0.16 -0.12 0.00 -0.00 0.00 0.00 57.45 56.98 3itm n PHE 707 Cb 0.58 -0.01 -0.07 0.00 -1.00 0.00 0.00 39.48 38.98 3itm n PHE 707 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 3itm h GLN 708 N 2.52 0.08 0.03 -1.08 4.20 -2.00 -1.31 115.11 117.54 3itm h GLN 708 Ca 0.00 -0.02 -0.23 0.00 0.06 0.00 0.00 58.65 58.47 3itm h GLN 708 Cb 0.62 -0.01 0.02 0.00 0.30 0.00 0.00 27.48 28.41 3itm h GLN 708 CO 0.00 0.26 -0.90 0.28 -0.67 0.00 0.00 178.83 177.80 3itm h VAL 709 N -0.12 1.35 -0.86 -0.54 2.07 -1.92 -3.31 116.25 112.92 3itm h VAL 709 Ca 0.02 -2.23 0.19 0.00 0.82 0.00 0.00 66.70 65.49 3itm h VAL 709 Cb 0.22 2.56 -0.11 0.00 -1.52 0.00 0.00 31.29 32.43 3itm h VAL 709 CO -0.00 0.67 0.38 0.00 0.02 0.00 0.00 177.57 178.64 3itm h ALA 710 N 0.33 1.32 -0.01 1.67 0.00 -1.66 0.16 119.26 121.07 3itm h ALA 710 Ca -0.12 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3itm h ALA 710 Cb 1.59 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.48 3itm h ALA 710 CO 0.18 -0.26 0.29 0.66 0.00 0.00 0.00 179.25 180.12 3itm h SER 711 N 0.46 0.00 0.00 0.00 4.64 -1.32 -2.39 113.55 114.94 3itm h SER 711 Ca 0.51 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.60 3itm h SER 711 Cb 0.88 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.93 3itm h SER 711 CO -0.47 0.00 -1.88 0.29 -0.87 0.00 0.00 176.83 173.90 3itm n LYS 712 N -2.95 1.07 -3.57 4.77 4.76 0.47 -4.99 118.16 117.73 3itm n LYS 712 Ca -0.02 0.05 -0.00 0.00 -2.87 0.00 0.00 58.31 55.47 3itm n LYS 712 Cb 0.35 -1.32 -0.04 0.00 -1.84 0.00 0.00 35.03 32.18 3itm n LYS 712 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3itm s SER 713 N -5.10 -1.00 0.09 4.39 0.15 -0.70 -4.84 113.70 106.69 3itm s SER 713 Ca -0.15 1.36 -0.21 0.00 0.70 0.00 0.00 55.95 57.65 3itm s SER 713 Cb 0.05 2.13 -0.11 0.00 -1.71 0.00 0.00 66.02 66.38 3itm s SER 713 CO 0.42 -0.19 1.67 0.58 1.20 0.00 0.00 173.24 176.92 3itm h VAL 714 N 5.87 1.11 -0.52 4.45 2.07 -1.81 -2.69 116.25 124.72 3itm h VAL 714 Ca -0.17 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 3itm h VAL 714 Cb 1.11 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 3itm h VAL 714 CO 0.10 0.10 0.21 0.25 0.02 0.00 0.00 177.57 178.24 3itm h LEU 715 N 0.09 0.68 -0.84 2.57 5.85 -1.92 -2.76 115.31 118.98 3itm h LEU 715 Ca 0.04 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3itm h LEU 715 Cb 0.10 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3itm h LEU 715 CO -0.01 0.61 0.54 0.00 -0.34 0.00 0.00 178.44 179.24 3itm h ALA 716 N 1.49 1.10 -0.65 1.25 0.00 -1.83 -0.11 119.26 120.51 3itm h ALA 716 Ca 0.18 -0.03 0.18 0.00 0.00 0.00 0.00 54.91 55.23 3itm h ALA 716 Cb 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3itm h ALA 716 CO -0.02 0.37 0.46 0.00 0.00 0.00 0.00 179.25 180.06 3itm h ALA 717 N 1.35 2.54 0.16 0.00 0.00 -1.18 0.89 119.26 123.02 3itm h ALA 717 Ca 0.33 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.91 3itm h ALA 717 Cb 0.00 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3itm h ALA 717 CO -0.11 -0.72 -1.49 -0.07 0.00 0.00 0.00 179.25 176.85 3itm h LEU 718 N 0.05 0.53 -0.80 0.00 3.38 -1.04 -3.31 115.31 114.11 3itm h LEU 718 Ca 0.31 -0.65 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 3itm h LEU 718 Cb 1.16 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3itm h LEU 718 CO -0.02 1.53 -0.31 1.88 0.09 0.00 0.00 178.44 181.61 3itm h TYR 719 N 0.09 0.62 -3.66 1.13 0.99 -0.68 -3.46 116.97 112.00 3itm h TYR 719 Ca -0.24 -0.15 -0.57 0.00 2.00 0.00 0.00 58.73 59.78 3itm h TYR 719 Cb 2.05 -0.14 0.15 0.00 1.00 0.00 0.00 36.73 39.79 3itm h TYR 719 CO 0.08 0.79 0.27 0.45 -0.00 0.00 0.00 178.16 179.76 3itm n SER 720 N -4.08 1.38 -4.90 3.88 2.88 0.25 -5.01 113.62 108.03 3itm n SER 720 Ca -0.01 0.87 -0.29 0.00 -1.33 0.00 0.00 58.87 58.11 3itm n SER 720 Cb 0.46 -1.44 0.08 0.00 -0.75 0.00 0.00 64.21 62.55 3itm n SER 720 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3itm s SER 721 N -1.12 4.82 0.23 -3.46 0.01 -1.26 -4.95 113.70 107.96 3itm s SER 721 Ca 0.74 0.89 0.10 0.00 1.31 0.00 0.00 55.95 58.99 3itm s SER 721 Cb -0.43 -1.48 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 3itm s SER 721 CO 0.48 -1.71 -0.12 -1.61 0.41 0.00 0.00 173.24 170.68 3itm s GLU 722 N -5.50 1.93 0.00 12.44 2.02 -1.26 -4.29 118.70 124.04 3itm s GLU 722 Ca 0.61 -1.47 0.00 0.00 0.02 0.00 0.00 54.97 54.12 3itm s GLU 722 Cb -0.11 -2.01 0.00 0.00 0.10 0.00 0.00 34.13 32.11 3itm s GLU 722 CO 0.50 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.57 3itm n GLY 723 N -0.32 0.57 0.04 -1.39 0.00 -1.18 -4.79 105.19 98.13 3itm n GLY 723 Ca -0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3itm n GLY 723 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3itm n SER 724 N 0.00 0.59 -0.09 1.61 3.41 -1.26 -4.32 113.62 113.56 3itm n SER 724 Ca 0.00 -0.16 -0.17 0.00 -0.26 0.00 0.00 58.87 58.29 3itm n SER 724 Cb 0.00 0.88 -0.06 0.00 -0.26 0.00 0.00 64.21 64.77 3itm n SER 724 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3itm n VAL 725 N -2.05 1.35 -4.04 -3.33 3.14 -1.26 -4.96 118.33 107.19 3itm n VAL 725 Ca 0.01 -0.08 -0.36 0.00 -2.96 0.00 0.00 64.34 60.95 3itm n VAL 725 Cb 0.46 -2.00 -0.08 0.00 -1.06 0.00 0.00 33.84 31.15 3itm n VAL 725 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 3itm s MET 726 N -2.57 3.52 0.15 1.45 1.00 -1.26 -5.05 119.30 116.53 3itm s MET 726 Ca -0.28 -0.27 -0.31 0.00 0.00 0.00 0.00 55.69 54.83 3itm s MET 726 Cb 0.08 -3.11 -0.08 0.00 0.00 0.00 0.00 34.83 31.72 3itm s MET 726 CO 0.38 0.59 1.38 -2.00 0.00 0.00 0.00 175.02 175.37 3itm s GLU 727 N -0.51 4.33 0.32 2.03 2.12 -1.26 -3.09 118.70 122.63 3itm s GLU 727 Ca 0.11 2.10 0.08 0.00 0.36 0.00 0.00 54.97 57.62 3itm s GLU 727 Cb -0.12 -3.22 -0.06 0.00 0.26 0.00 0.00 34.13 30.99 3itm s GLU 727 CO 0.02 -0.39 -0.08 1.03 -0.54 0.00 0.00 175.26 175.30 3itm s ARG 728 N 0.67 1.71 -0.29 4.30 1.81 -1.26 -4.92 118.95 120.96 3itm s ARG 728 Ca 0.62 -1.88 0.08 0.00 -1.72 0.00 0.00 55.73 52.83 3itm s ARG 728 Cb -0.37 -1.48 0.46 0.00 -0.45 0.00 0.00 34.95 33.10 3itm s ARG 728 CO 0.33 0.10 1.31 0.72 -0.68 0.00 0.00 175.30 177.08 3itm n HIS 729 N -0.71 1.61 0.07 -0.53 8.25 -1.26 -4.73 115.22 117.92 3itm n HIS 729 Ca -0.05 -1.94 -0.12 0.00 -0.26 0.00 0.00 57.72 55.36 3itm n HIS 729 Cb 0.63 -0.42 -0.05 0.00 1.12 0.00 0.00 29.99 31.27 3itm n HIS 729 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3itm h HIS 730 N 1.58 -0.30 0.49 4.41 3.86 -1.89 -1.64 115.15 121.66 3itm h HIS 730 Ca 0.24 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.45 3itm h HIS 730 Cb 1.35 0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.93 3itm h HIS 730 CO 0.90 -0.18 -0.34 0.35 0.86 0.00 0.00 177.93 179.52 3itm h PHE 731 N -0.22 -0.91 -0.47 2.45 3.57 -1.85 -1.13 116.94 118.38 3itm h PHE 731 Ca 0.03 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.66 3itm h PHE 731 Cb 0.25 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 3itm h PHE 731 CO -0.16 -0.51 0.34 0.00 -2.23 0.00 0.00 178.31 175.75 3itm h ALA 732 N -0.39 2.44 0.05 2.41 0.00 -1.87 0.75 119.26 122.64 3itm h ALA 732 Ca -0.05 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.57 3itm h ALA 732 Cb 0.67 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.52 3itm h ALA 732 CO 0.03 -0.57 -1.12 0.37 0.00 0.00 0.00 179.25 177.96 3itm h GLN 733 N 0.01 0.63 -0.52 0.00 4.15 -0.87 -1.22 115.11 117.28 3itm h GLN 733 Ca 0.22 -0.74 0.00 0.00 0.77 0.00 0.00 58.65 58.91 3itm h GLN 733 Cb 0.89 0.23 -0.03 0.00 0.21 0.00 0.00 27.48 28.78 3itm h GLN 733 CO -0.00 1.32 0.34 0.00 -1.93 0.00 0.00 178.83 178.56 3itm h ALA 734 N 0.41 0.66 0.00 3.38 0.00 0.39 -1.52 119.26 122.57 3itm h ALA 734 Ca -0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3itm h ALA 734 Cb 1.78 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3itm h ALA 734 CO 0.21 0.11 0.00 -0.84 0.00 0.00 0.00 179.25 178.73 3itm h ILE 735 N 0.70 0.00 -0.30 0.00 3.07 -1.18 -0.76 117.51 119.05 3itm h ILE 735 Ca 0.19 -0.74 -0.09 0.00 1.55 0.00 0.00 64.86 65.77 3itm h ILE 735 Cb -0.07 1.73 -0.01 0.00 -0.27 0.00 0.00 36.82 38.19 3itm h ILE 735 CO -0.04 0.00 -0.20 0.00 -1.05 0.00 0.00 178.15 176.86 3itm h ALA 736 N 2.06 1.11 0.20 0.16 0.00 -0.68 -1.00 119.26 121.11 3itm h ALA 736 Ca 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3itm h ALA 736 Cb 0.77 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3itm h ALA 736 CO 0.00 0.55 -0.09 0.82 0.00 0.00 0.00 179.25 180.53 3itm h ILE 737 N 0.49 0.89 -1.00 0.00 2.04 -0.74 -2.88 117.51 116.31 3itm h ILE 737 Ca 0.08 -0.79 0.30 0.00 1.00 0.00 0.00 64.86 65.45 3itm h ILE 737 Cb 0.62 1.34 -0.14 0.00 -0.74 0.00 0.00 36.82 37.89 3itm h ILE 737 CO 0.04 0.17 0.57 -0.07 0.00 0.00 0.00 178.15 178.87 3itm h LEU 738 N -0.68 0.56 -1.80 1.44 3.38 -0.97 0.14 115.31 117.38 3itm h LEU 738 Ca -0.03 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3itm h LEU 738 Cb 0.48 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3itm h LEU 738 CO 0.04 -0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.10 3itm n ASN 739 N -5.00 2.64 -4.72 -0.43 4.13 -0.39 -3.18 115.26 108.30 3itm n ASN 739 Ca 0.30 -2.06 -0.42 0.00 1.68 0.00 0.00 54.58 54.09 3itm n ASN 739 Cb 0.91 -0.34 -0.04 0.00 -1.54 0.00 0.00 39.78 38.77 3itm n ASN 739 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3itm s THR 740 N -1.44 4.46 -0.04 3.41 2.01 0.50 -4.96 115.64 119.57 3itm s THR 740 Ca 0.32 1.91 -0.39 0.00 0.31 0.00 0.00 61.69 63.84 3itm s THR 740 Cb 0.17 -4.22 -0.17 0.00 0.01 0.00 0.00 72.50 68.29 3itm s THR 740 CO 0.20 0.23 1.40 1.57 -0.69 0.00 0.00 174.62 177.34 3itm n HIS 741 N 3.27 1.52 -0.81 4.92 -0.00 -1.26 -1.64 115.22 121.21 3itm n HIS 741 Ca 0.05 0.70 0.00 0.00 0.46 0.00 0.00 57.72 58.93 3itm n HIS 741 Cb 0.49 -2.32 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 3itm n HIS 741 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3itm n GLY 742 N 2.82 0.55 0.00 1.57 0.00 -1.26 -4.91 105.19 103.97 3itm n GLY 742 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3itm n GLY 742 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3itm s ASN 744 N -0.22 6.78 0.00 0.00 3.84 -1.19 -4.58 114.94 119.57 3itm s ASN 744 Ca 0.00 -2.27 0.17 0.00 0.21 0.00 0.00 52.86 50.97 3itm s ASN 744 Cb 0.00 -2.54 0.73 0.00 -0.55 0.00 0.00 41.25 38.89 3itm s ASN 744 CO 0.00 -1.18 1.53 2.30 -2.79 0.00 0.00 177.10 176.96 3itm n ILE 745 N 6.17 0.82 -0.77 -5.21 -5.35 -1.26 -2.11 119.36 111.64 3itm n ILE 745 Ca 0.41 0.20 0.08 0.00 -0.27 0.00 0.00 62.75 63.18 3itm n ILE 745 Cb 0.47 -0.92 0.29 0.00 -1.74 0.00 0.00 39.64 37.75 3itm n ILE 745 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3itm n PHE 746 N -1.48 1.22 -0.11 4.28 3.72 -1.26 -4.68 117.46 119.16 3itm n PHE 746 Ca 0.04 -0.73 0.14 0.00 -0.05 0.00 0.00 57.45 56.85 3itm n PHE 746 Cb 0.19 -0.29 0.52 0.00 -0.94 0.00 0.00 39.48 38.95 3itm n PHE 746 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3itm h ASP 747 N 2.78 0.35 0.04 4.37 3.58 -1.84 -2.43 116.42 123.27 3itm h ASP 747 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3itm h ASP 747 Cb 1.44 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.44 3itm h ASP 747 CO 0.24 0.20 -0.42 1.41 -2.88 0.00 0.00 179.24 177.80 3itm n HIS 748 N -4.47 0.00 -1.73 0.28 8.25 -1.26 -4.94 115.22 111.34 3itm n HIS 748 Ca 0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.18 3itm n HIS 748 Cb 0.45 -0.03 0.03 0.00 1.12 0.00 0.00 29.99 31.56 3itm n HIS 748 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3itm n PHE 749 N -0.13 2.29 -1.03 4.41 3.01 -0.92 -4.98 117.46 120.12 3itm n PHE 749 Ca 0.10 0.44 -0.31 0.00 1.01 0.00 0.00 57.45 58.69 3itm n PHE 749 Cb 0.44 -2.38 0.13 0.00 -0.01 0.00 0.00 39.48 37.66 3itm n PHE 749 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3itm s SER 750 N -0.75 3.74 0.23 4.37 1.04 -1.26 -4.70 113.70 116.36 3itm s SER 750 Ca 0.67 2.06 -0.12 0.00 0.48 0.00 0.00 55.95 59.04 3itm s SER 750 Cb -0.44 -2.55 0.30 0.00 0.10 0.00 0.00 66.02 63.43 3itm s SER 750 CO 0.53 -2.55 1.62 -0.09 0.98 0.00 0.00 173.24 173.72 3itm h ARG 751 N -1.36 0.02 -0.64 4.02 2.43 -1.99 0.92 114.38 117.78 3itm h ARG 751 Ca -0.44 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.71 3itm h ARG 751 Cb 1.26 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.77 3itm h ARG 751 CO 0.47 0.01 0.32 0.87 -1.51 0.00 0.00 179.97 180.13 3itm h LYS 752 N 0.02 0.90 -0.04 0.20 1.57 -2.00 -1.62 116.57 115.61 3itm h LYS 752 Ca 0.35 -0.12 -0.18 0.00 -1.87 0.00 0.00 60.65 58.83 3itm h LYS 752 Cb 0.55 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3itm h LYS 752 CO -0.71 0.71 -0.75 -0.44 -0.57 0.00 0.00 179.45 177.69 3itm h ASP 753 N 0.87 0.29 0.35 0.86 3.32 -1.66 -1.16 116.42 119.30 3itm h ASP 753 Ca 0.22 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 3itm h ASP 753 Cb 0.09 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3itm h ASP 753 CO -0.03 0.94 -0.37 0.22 -1.72 0.00 0.00 179.24 178.28 3itm h TYR 754 N 0.16 -0.99 -0.74 4.55 3.20 -0.54 0.26 116.97 122.86 3itm h TYR 754 Ca -0.03 0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.96 3itm h TYR 754 Cb 1.32 0.39 -0.08 0.00 1.54 0.00 0.00 36.73 39.90 3itm h TYR 754 CO 0.03 -0.51 0.35 1.96 -1.64 0.00 0.00 178.16 178.35 3itm h GLN 755 N -0.75 0.55 -0.36 1.82 1.08 -1.17 -0.83 115.11 115.46 3itm h GLN 755 Ca -0.02 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3itm h GLN 755 Cb 0.68 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 3itm h GLN 755 CO -0.07 0.37 0.19 -0.09 -0.95 0.00 0.00 178.83 178.28 3itm h ARG 756 N 0.57 0.50 -0.41 1.46 9.65 -0.89 0.23 114.38 125.49 3itm h ARG 756 Ca 0.38 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 59.20 3itm h ARG 756 Cb 0.46 -0.10 -0.02 0.00 -1.39 0.00 0.00 29.97 28.92 3itm h ARG 756 CO -0.31 0.41 0.26 1.98 2.80 0.00 0.00 179.97 185.11 3itm h MET 757 N 0.45 0.55 -0.24 0.20 4.05 0.29 0.79 114.93 121.01 3itm h MET 757 Ca 0.12 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.50 3itm h MET 757 Cb 0.06 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 3itm h MET 757 CO -0.02 0.38 0.14 -0.07 0.23 0.00 0.00 176.91 177.57 3itm h LEU 758 N 0.55 0.30 -1.14 3.39 4.07 -1.00 -1.44 115.31 120.03 3itm h LEU 758 Ca 0.15 -0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.07 3itm h LEU 758 Cb -0.03 -0.08 -0.05 0.00 1.08 0.00 0.00 40.66 41.58 3itm h LEU 758 CO -0.03 0.29 0.58 0.44 -1.08 0.00 0.00 178.44 178.64 3itm h ASP 759 N 0.29 0.96 -0.25 -0.43 3.32 -0.70 -0.58 116.42 119.03 3itm h ASP 759 Ca 0.09 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 3itm h ASP 759 Cb 0.05 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3itm h ASP 759 CO -0.01 0.67 -0.58 -0.07 -1.72 0.00 0.00 179.24 177.52 3itm h LEU 760 N 1.12 0.96 -0.18 1.55 3.38 -0.68 -2.63 115.31 118.83 3itm h LEU 760 Ca 0.35 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3itm h LEU 760 Cb 0.00 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3itm h LEU 760 CO -0.10 1.32 0.08 0.24 0.09 0.00 0.00 178.44 180.07 3itm h MET 761 N 0.64 0.27 -0.52 1.13 2.86 -0.60 0.10 114.93 118.82 3itm h MET 761 Ca 0.01 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 3itm h MET 761 Cb 1.19 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.76 3itm h MET 761 CO 0.13 0.32 0.29 -0.09 1.06 0.00 0.00 176.91 178.62 3itm h ARG 762 N 0.15 0.55 -0.21 1.72 2.43 -1.16 0.26 114.38 118.13 3itm h ARG 762 Ca 0.06 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.04 3itm h ARG 762 Cb 0.15 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3itm h ARG 762 CO -0.01 0.37 -0.50 -0.44 -1.51 0.00 0.00 179.97 177.88 3itm h ASP 763 N 0.57 0.80 0.06 -3.80 5.19 -1.25 -1.92 116.42 116.07 3itm h ASP 763 Ca 0.22 -0.57 -0.18 0.00 -0.62 0.00 0.00 57.03 55.88 3itm h ASP 763 Cb 0.07 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.35 3itm h ASP 763 CO -0.12 1.22 -0.65 0.40 -3.12 0.00 0.00 179.24 176.97 3itm h ILE 764 N 0.41 1.33 -0.03 0.35 2.04 -0.59 -1.23 117.51 119.80 3itm h ILE 764 Ca -0.00 -1.94 -0.00 0.00 1.00 0.00 0.00 64.86 63.92 3itm h ILE 764 Cb 1.11 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 39.10 3itm h ILE 764 CO 0.11 0.60 0.01 0.40 0.00 0.00 0.00 178.15 179.27 3itm h ILE 765 N 0.41 1.09 -0.81 -0.67 2.04 -0.43 -2.35 117.51 116.79 3itm h ILE 765 Ca -0.01 -0.27 0.20 0.00 1.00 0.00 0.00 64.86 65.77 3itm h ILE 765 Cb 1.22 1.23 -0.13 0.00 -0.74 0.00 0.00 36.82 38.39 3itm h ILE 765 CO 0.12 0.07 0.11 -0.07 0.00 0.00 0.00 178.15 178.39 3itm h LEU 766 N -0.07 -0.18 -0.33 1.44 3.38 -1.23 -1.46 115.31 116.88 3itm h LEU 766 Ca 0.01 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3itm h LEU 766 Cb 0.11 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3itm h LEU 766 CO -0.00 -0.16 0.00 0.00 0.09 0.00 0.00 178.44 178.37 3itm n ALA 767 N -2.83 1.59 -0.03 1.53 0.00 -0.47 -2.94 120.51 117.36 3itm n ALA 767 Ca 0.17 0.02 -0.02 0.00 0.00 0.00 0.00 53.44 53.60 3itm n ALA 767 Cb 0.56 -1.28 0.24 0.00 0.00 0.00 0.00 19.45 18.97 3itm n ALA 767 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3itm h THR 768 N 0.00 1.22 -2.08 0.00 2.02 -1.07 -3.40 112.91 109.60 3itm h THR 768 Ca 0.00 -0.95 -0.61 0.00 0.77 0.00 0.00 66.41 65.63 3itm h THR 768 Cb 0.26 1.01 0.02 0.00 -1.74 0.00 0.00 68.15 67.70 3itm h THR 768 CO 0.00 0.32 1.07 -0.67 0.37 0.00 0.00 175.52 176.61 3itm n ASP 769 N -4.23 3.43 0.31 4.18 4.64 -1.15 -4.32 116.55 119.41 3itm n ASP 769 Ca 0.01 0.98 0.18 0.00 -1.38 0.00 0.00 54.79 54.59 3itm n ASP 769 Cb 0.29 -1.39 1.00 0.00 -1.04 0.00 0.00 41.12 39.99 3itm n ASP 769 CO 0.00 0.00 0.00 -0.07 -0.82 0.00 0.00 177.20 176.31 3itm h LEU 770 N 8.82 0.00 -1.29 -2.67 -0.00 -1.82 0.18 115.31 118.53 3itm h LEU 770 Ca -0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.34 3itm h LEU 770 Cb 1.27 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.92 3itm h LEU 770 CO 0.94 0.02 -0.17 0.00 -0.00 0.00 0.00 178.44 179.24 3itm h ALA 771 N 1.98 1.42 -0.34 1.53 0.00 -1.89 -0.28 119.26 121.67 3itm h ALA 771 Ca -0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 3itm h ALA 771 Cb 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3itm h ALA 771 CO 0.00 0.41 -0.26 1.25 0.00 0.00 0.00 179.25 180.65 3itm h HIS 772 N 0.26 0.91 -0.74 0.00 -0.00 -0.96 -2.47 115.15 112.15 3itm h HIS 772 Ca 0.05 -0.26 -0.04 0.00 -0.00 0.00 0.00 60.37 60.13 3itm h HIS 772 Cb 0.45 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.63 3itm h HIS 772 CO 0.01 1.02 0.32 1.25 -0.00 0.00 0.00 177.93 180.52 3itm h HIS 773 N 0.55 1.10 -0.18 5.26 6.17 -1.05 -2.12 115.15 124.88 3itm h HIS 773 Ca 0.06 -0.07 -0.11 0.00 0.71 0.00 0.00 60.37 60.96 3itm h HIS 773 Cb 0.83 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 30.41 3itm h HIS 773 CO 0.07 0.83 -0.37 -0.07 0.71 0.00 0.00 177.93 179.10 3itm h LEU 774 N 1.05 0.41 -0.93 0.26 3.38 -1.02 -0.09 115.31 118.37 3itm h LEU 774 Ca 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3itm h LEU 774 Cb 0.18 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3itm h LEU 774 CO -0.02 0.75 0.56 0.03 0.09 0.00 0.00 178.44 179.84 3itm h ARG 775 N 0.33 1.27 -0.02 1.13 3.08 -1.03 -3.08 114.38 116.06 3itm h ARG 775 Ca 0.04 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.97 3itm h ARG 775 Cb 0.81 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3itm h ARG 775 CO 0.06 0.89 -0.05 0.44 -1.07 0.00 0.00 179.97 180.25 3itm n ILE 776 N -4.36 0.00 -0.25 2.04 -5.35 -0.83 -4.63 119.36 105.97 3itm n ILE 776 Ca 0.10 -0.33 0.01 0.00 -0.27 0.00 0.00 62.75 62.27 3itm n ILE 776 Cb 0.06 0.88 0.08 0.00 -1.74 0.00 0.00 39.64 38.92 3itm n ILE 776 CO 0.00 0.00 0.00 0.15 -1.76 0.00 0.00 176.55 174.94 3itm h PHE 777 N 3.07 -0.37 -0.71 4.28 3.57 -0.93 -0.48 116.94 125.37 3itm h PHE 777 Ca 0.00 0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 3itm h PHE 777 Cb 0.69 0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 3itm h PHE 777 CO 0.00 -0.31 0.21 0.87 -2.23 0.00 0.00 178.31 176.85 3itm h LYS 778 N 0.00 1.12 -0.64 1.11 1.57 -1.82 0.18 116.57 118.09 3itm h LYS 778 Ca 0.35 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.87 3itm h LYS 778 Cb 0.54 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 3itm h LYS 778 CO -0.74 0.97 0.34 -0.44 -0.57 0.00 0.00 179.45 179.00 3itm h ASP 779 N 1.06 0.80 -0.31 0.86 3.45 -1.47 -0.06 116.42 120.75 3itm h ASP 779 Ca 0.23 -0.07 -0.04 0.00 0.43 0.00 0.00 57.03 57.58 3itm h ASP 779 Cb 0.32 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.88 3itm h ASP 779 CO -0.00 0.65 0.03 -0.07 -1.57 0.00 0.00 179.24 178.28 3itm h LEU 780 N 0.90 0.52 -0.42 1.55 3.38 -0.04 -1.12 115.31 120.07 3itm h LEU 780 Ca 0.23 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.99 3itm h LEU 780 Cb 0.05 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.58 3itm h LEU 780 CO -0.03 0.68 -0.07 1.56 0.09 0.00 0.00 178.44 180.66 3itm h GLN 781 N 0.35 0.03 -0.51 1.13 4.20 -0.68 -1.33 115.11 118.30 3itm h GLN 781 Ca 0.09 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 3itm h GLN 781 Cb 0.39 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3itm h GLN 781 CO 0.01 0.02 0.14 -0.22 -0.67 0.00 0.00 178.83 178.11 3itm h LYS 782 N 0.04 0.81 -0.87 1.46 1.63 -0.79 -1.69 116.57 117.16 3itm h LYS 782 Ca 0.20 -0.19 0.06 0.00 -0.85 0.00 0.00 60.65 59.87 3itm h LYS 782 Cb 0.31 -0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 31.77 3itm h LYS 782 CO -0.40 0.77 0.54 1.98 -3.45 0.00 0.00 179.45 178.89 3itm h MET 783 N 0.71 0.97 -0.02 1.90 4.05 -0.68 -0.80 114.93 121.06 3itm h MET 783 Ca 0.16 -0.06 -0.12 0.00 -0.28 0.00 0.00 59.70 59.41 3itm h MET 783 Cb 0.31 -0.22 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 3itm h MET 783 CO -0.00 0.64 -0.53 0.00 0.23 0.00 0.00 176.91 177.25 3itm h ALA 784 N 1.40 1.08 -0.09 0.39 0.00 -0.91 -0.58 119.26 120.54 3itm h ALA 784 Ca 0.37 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3itm h ALA 784 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3itm h ALA 784 CO -0.16 0.67 -0.18 1.49 0.00 0.00 0.00 179.25 181.06 3itm h GLU 785 N 0.04 0.28 0.00 0.00 4.81 -0.69 -3.29 114.58 115.73 3itm h GLU 785 Ca -0.00 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 58.94 3itm h GLU 785 Cb 0.96 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3itm h GLU 785 CO 0.07 0.78 -0.46 -0.24 -0.73 0.00 0.00 179.01 178.43 3itm h VAL 786 N -0.17 0.81 0.00 0.32 3.04 -1.15 -3.50 116.25 115.61 3itm h VAL 786 Ca 0.00 -2.10 0.00 0.00 -1.01 0.00 0.00 66.70 63.59 3itm h VAL 786 Cb 0.77 2.37 0.00 0.00 -2.01 0.00 0.00 31.29 32.42 3itm h VAL 786 CO 0.04 0.46 0.00 0.61 -1.01 0.00 0.00 177.57 177.67 3itm n GLY 787 N 1.16 1.84 3.58 3.17 0.00 -0.23 -5.01 105.19 109.69 3itm n GLY 787 Ca 0.02 -1.39 -0.49 0.00 0.00 0.00 0.00 46.02 44.16 3itm n GLY 787 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3itm n TYR 788 N 2.86 1.34 -3.86 1.61 9.36 -1.24 -4.90 117.16 122.32 3itm n TYR 788 Ca 0.00 0.67 -0.30 0.00 3.32 0.00 0.00 57.90 61.59 3itm n TYR 788 Cb 0.00 -2.29 -0.15 0.00 -0.63 0.00 0.00 39.34 36.27 3itm n TYR 788 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 3itm s ASP 789 N 0.08 4.29 0.64 2.98 -1.08 -1.26 -4.99 116.67 117.33 3itm s ASP 789 Ca 0.75 -2.10 0.36 0.00 -0.52 0.00 0.00 52.55 51.04 3itm s ASP 789 Cb -0.87 -1.25 2.00 0.00 -1.46 0.00 0.00 42.92 41.34 3itm s ASP 789 CO 0.51 -0.37 2.19 0.08 0.52 0.00 0.00 175.17 178.10 3itm h ARG 790 N 7.58 0.00 0.00 4.34 0.11 -1.94 0.28 114.38 124.75 3itm h ARG 790 Ca -0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.00 3itm h ARG 790 Cb 0.99 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.07 3itm h ARG 790 CO 0.51 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.67 3itm n ASN 791 N -3.29 0.00 -4.42 0.08 3.02 -1.26 -4.75 115.26 104.65 3itm n ASN 791 Ca -0.02 0.24 -0.41 0.00 -0.03 0.00 0.00 54.58 54.37 3itm n ASN 791 Cb 0.21 -0.39 -0.11 0.00 -0.61 0.00 0.00 39.78 38.88 3itm n ASN 791 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3itm s ASN 792 N -2.78 5.87 0.29 6.41 3.84 0.99 -4.98 114.94 124.58 3itm s ASN 792 Ca 0.14 -0.91 0.02 0.00 0.21 0.00 0.00 52.86 52.32 3itm s ASN 792 Cb 0.13 -2.08 0.57 0.00 -0.55 0.00 0.00 41.25 39.33 3itm s ASN 792 CO 0.33 -0.39 1.84 0.11 -2.79 0.00 0.00 177.10 176.20 3itm h LYS 793 N 8.50 0.95 -0.47 0.43 1.57 -1.85 -1.34 116.57 124.36 3itm h LYS 793 Ca -0.27 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3itm h LYS 793 Cb 1.11 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 3itm h LYS 793 CO 0.69 0.63 0.29 0.37 -0.57 0.00 0.00 179.45 180.85 3itm h GLN 794 N 0.98 0.64 -0.99 3.15 4.15 -1.95 -1.56 115.11 119.53 3itm h GLN 794 Ca 0.49 -0.06 0.13 0.00 0.77 0.00 0.00 58.65 59.99 3itm h GLN 794 Cb 0.49 -0.13 -0.09 0.00 0.21 0.00 0.00 27.48 27.96 3itm h GLN 794 CO -0.25 0.47 0.62 0.45 -1.93 0.00 0.00 178.83 178.19 3itm h HIS 795 N 0.63 1.10 0.10 3.99 3.86 -1.57 0.20 115.15 123.47 3itm h HIS 795 Ca 0.17 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 3itm h HIS 795 Cb -0.01 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.12 3itm h HIS 795 CO -0.03 0.40 -0.05 0.45 0.86 0.00 0.00 177.93 179.56 3itm h HIS 796 N 0.93 -0.13 -0.50 2.45 3.86 -0.95 0.12 115.15 120.92 3itm h HIS 796 Ca 0.51 -0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.80 3itm h HIS 796 Cb 0.58 0.04 -0.07 0.00 1.06 0.00 0.00 27.41 29.02 3itm h HIS 796 CO -0.00 0.08 0.06 -0.09 0.86 0.00 0.00 177.93 178.84 3itm h ARG 797 N -0.33 0.18 -0.27 2.45 2.43 -0.88 -0.48 114.38 117.48 3itm h ARG 797 Ca -0.01 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 58.95 3itm h ARG 797 Cb 0.27 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3itm h ARG 797 CO 0.02 0.12 -0.58 -0.07 -1.51 0.00 0.00 179.97 177.95 3itm h LEU 798 N 0.19 0.96 -0.46 3.80 3.38 -0.40 -2.60 115.31 120.18 3itm h LEU 798 Ca 0.25 -0.53 0.03 0.00 0.09 0.00 0.00 57.88 57.72 3itm h LEU 798 Cb 0.36 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3itm h LEU 798 CO -0.36 1.33 0.25 0.25 0.09 0.00 0.00 178.44 180.00 3itm h LEU 799 N 0.64 0.40 -1.01 1.67 5.85 -0.44 -1.59 115.31 120.83 3itm h LEU 799 Ca 0.00 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.83 3itm h LEU 799 Cb 1.19 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 3itm h LEU 799 CO 0.13 0.28 0.64 -0.07 -0.34 0.00 0.00 178.44 179.08 3itm h LEU 800 N 0.51 0.99 0.04 2.25 3.38 -0.89 0.27 115.31 121.87 3itm h LEU 800 Ca 0.19 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3itm h LEU 800 Cb 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3itm h LEU 800 CO -0.11 0.59 -0.02 0.00 0.09 0.00 0.00 178.44 178.99 3itm h LEU 802 N -0.23 0.28 -0.97 0.00 5.85 -0.35 -0.46 115.31 119.41 3itm h LEU 802 Ca -0.01 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3itm h LEU 802 Cb 0.21 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3itm h LEU 802 CO 0.01 0.20 0.19 -0.07 -0.34 0.00 0.00 178.44 178.43 3itm h LEU 803 N 0.42 0.87 -0.16 2.25 3.38 -0.27 0.12 115.31 121.93 3itm h LEU 803 Ca 0.22 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3itm h LEU 803 Cb 0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3itm h LEU 803 CO -0.18 0.82 -0.00 -0.03 0.09 0.00 0.00 178.44 179.13 3itm h MET 804 N 0.91 0.28 -0.34 1.13 4.05 0.02 -0.08 114.93 120.90 3itm h MET 804 Ca 0.20 -0.09 -0.08 0.00 -0.28 0.00 0.00 59.70 59.46 3itm h MET 804 Cb 0.26 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 3itm h MET 804 CO -0.01 0.51 -0.11 0.00 0.23 0.00 0.00 176.91 177.52 3itm h THR 805 N 0.02 1.24 -1.01 -0.77 1.03 -0.91 -1.41 112.91 111.10 3itm h THR 805 Ca 0.04 -1.06 0.03 0.00 -0.01 0.00 0.00 66.41 65.41 3itm h THR 805 Cb 0.38 1.11 -0.06 0.00 -1.07 0.00 0.00 68.15 68.51 3itm h THR 805 CO 0.01 0.35 0.66 0.28 -0.01 0.00 0.00 175.52 176.82 3itm h SER 806 N 0.54 1.11 -0.31 0.00 0.02 -0.21 -2.16 113.55 112.55 3itm h SER 806 Ca 0.10 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 3itm h SER 806 Cb 0.52 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3itm h SER 806 CO 0.03 0.77 -0.16 0.00 -1.14 0.00 0.00 176.83 176.33 3itm h ASP 808 N 0.41 0.73 -0.70 0.00 3.58 -0.65 -2.22 116.42 117.57 3itm h ASP 808 Ca 0.07 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.55 3itm h ASP 808 Cb 0.70 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.63 3itm h ASP 808 CO 0.05 0.40 0.00 0.18 -2.88 0.00 0.00 179.24 176.99 3itm n LEU 809 N -4.55 3.90 0.01 2.28 4.77 -0.96 -4.49 117.00 117.96 3itm n LEU 809 Ca 0.16 -1.92 0.08 0.00 -0.03 0.00 0.00 56.01 54.30 3itm n LEU 809 Cb 0.39 -0.47 0.36 0.00 -2.33 0.00 0.00 43.42 41.37 3itm n LEU 809 CO 0.30 0.96 0.76 -1.54 -1.33 0.00 0.00 177.39 176.54 3itm n SER 810 N 1.65 0.07 0.03 -1.43 3.41 -0.84 -0.49 113.62 116.03 3itm n SER 810 Ca 0.24 0.52 0.19 0.00 -0.26 0.00 0.00 58.87 59.56 3itm n SER 810 Cb 0.62 -0.53 0.69 0.00 -0.26 0.00 0.00 64.21 64.73 3itm n SER 810 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3itm h ASP 811 N 0.00 0.00 0.60 4.04 3.32 -1.81 -1.83 116.42 120.73 3itm h ASP 811 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3itm h ASP 811 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3itm h ASP 811 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 3itm n GLN 812 N -4.36 0.03 0.00 3.56 1.13 0.36 -2.75 117.38 115.35 3itm n GLN 812 Ca 0.08 0.18 0.12 0.00 -1.94 0.00 0.00 57.00 55.44 3itm n GLN 812 Cb 0.55 -1.50 0.08 0.00 0.11 0.00 0.00 30.24 29.48 3itm n GLN 812 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3itm n THR 813 N -1.48 0.00 -1.89 5.09 -2.24 -0.69 -4.07 114.28 109.00 3itm n THR 813 Ca 0.05 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3itm n THR 813 Cb 0.21 1.45 0.00 0.00 -2.10 0.00 0.00 70.33 69.88 3itm n THR 813 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3itm n LYS 814 N 1.05 1.73 -0.67 -0.78 4.76 -1.11 -4.83 118.16 118.32 3itm n LYS 814 Ca 0.13 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.26 3itm n LYS 814 Cb 0.57 0.00 0.17 0.00 -1.84 0.00 0.00 35.03 33.93 3itm n LYS 814 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3itm n GLY 815 N 5.00 -0.42 0.32 0.72 0.00 -1.26 -4.86 105.19 104.68 3itm n GLY 815 Ca 0.00 -0.73 -0.02 0.00 0.00 0.00 0.00 46.02 45.27 3itm n GLY 815 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3itm h TRP 816 N -1.92 -0.68 -1.05 1.61 -0.00 -1.96 -1.44 115.95 110.50 3itm h TRP 816 Ca -0.43 0.07 0.27 0.00 -0.00 0.00 0.00 58.89 58.80 3itm h TRP 816 Cb 1.27 0.41 -0.10 0.00 -0.00 0.00 0.00 29.16 30.74 3itm h TRP 816 CO 0.50 -0.35 0.67 0.87 -0.00 0.00 0.00 178.44 180.12 3itm h LYS 817 N -0.07 0.38 -0.02 2.65 1.57 -1.99 -1.94 116.57 117.14 3itm h LYS 817 Ca 0.30 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.81 3itm h LYS 817 Cb 0.55 -0.09 0.02 0.00 0.08 0.00 0.00 32.23 32.80 3itm h LYS 817 CO -0.74 0.25 -0.96 1.15 -0.57 0.00 0.00 179.45 178.58 3itm h THR 818 N 0.39 1.30 -0.64 -0.16 2.02 -1.61 -0.86 112.91 113.35 3itm h THR 818 Ca 0.60 -2.19 -0.06 0.00 0.77 0.00 0.00 66.41 65.54 3itm h THR 818 Cb 1.53 2.36 -0.03 0.00 -1.74 0.00 0.00 68.15 70.27 3itm h THR 818 CO -0.31 0.67 0.17 0.71 0.37 0.00 0.00 175.52 177.14 3itm h THR 819 N 0.35 1.24 0.44 3.16 1.35 -1.35 -1.39 112.91 116.71 3itm h THR 819 Ca -0.11 -0.87 -0.02 0.00 -0.55 0.00 0.00 66.41 64.85 3itm h THR 819 Cb 1.61 0.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3itm h THR 819 CO 0.19 0.33 -0.21 -0.09 -0.25 0.00 0.00 175.52 175.49 3itm h ARG 820 N 0.95 -0.57 -0.47 4.72 1.12 -1.29 -0.80 114.38 118.05 3itm h ARG 820 Ca 0.21 0.04 0.05 0.00 -1.11 0.00 0.00 59.98 59.16 3itm h ARG 820 Cb 0.31 0.13 -0.04 0.00 -0.01 0.00 0.00 29.97 30.35 3itm h ARG 820 CO -0.00 -0.36 0.21 -0.22 -3.11 0.00 0.00 179.97 176.48 3itm h LYS 821 N -0.62 0.41 -0.46 0.20 1.63 -1.13 -1.33 116.57 115.26 3itm h LYS 821 Ca -0.06 -0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 59.62 3itm h LYS 821 Cb 0.47 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 3itm h LYS 821 CO 0.10 0.27 -0.11 0.82 -3.45 0.00 0.00 179.45 177.08 3itm h ILE 822 N 0.42 1.26 -0.55 2.00 5.03 -1.15 -0.06 117.51 124.47 3itm h ILE 822 Ca 0.21 -1.20 0.01 0.00 -0.12 0.00 0.00 64.86 63.76 3itm h ILE 822 Cb 0.15 1.02 -0.03 0.00 -3.03 0.00 0.00 36.82 34.93 3itm h ILE 822 CO -0.17 0.41 0.36 0.00 -0.68 0.00 0.00 178.15 178.07 3itm h ALA 823 N 1.11 0.70 -0.31 1.87 0.00 -0.92 -1.32 119.26 120.38 3itm h ALA 823 Ca 0.13 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.04 3itm h ALA 823 Cb 0.62 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3itm h ALA 823 CO 0.04 0.12 0.10 1.49 0.00 0.00 0.00 179.25 181.00 3itm h GLU 824 N 0.73 0.22 -0.78 0.00 4.81 -0.72 -2.43 114.58 116.41 3itm h GLU 824 Ca 0.21 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3itm h GLU 824 Cb -0.07 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 3itm h GLU 824 CO -0.05 0.14 0.45 -0.07 -0.73 0.00 0.00 179.01 178.75 3itm h LEU 825 N 0.22 0.95 -0.33 1.64 3.38 -0.61 -1.65 115.31 118.92 3itm h LEU 825 Ca 0.14 -0.07 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 3itm h LEU 825 Cb 0.12 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 3itm h LEU 825 CO -0.16 0.75 -0.52 -0.29 0.09 0.00 0.00 178.44 178.31 3itm h ILE 826 N 1.09 1.28 -0.31 1.22 6.09 -1.05 -0.14 117.51 125.69 3itm h ILE 826 Ca 0.28 -1.71 0.02 0.00 -1.37 0.00 0.00 64.86 62.08 3itm h ILE 826 Cb -0.01 1.59 -0.02 0.00 0.47 0.00 0.00 36.82 38.85 3itm h ILE 826 CO -0.05 0.56 0.16 0.22 -3.07 0.00 0.00 178.15 175.97 3itm h TYR 827 N 0.67 0.29 -0.19 2.19 3.20 -1.04 0.60 116.97 122.69 3itm h TYR 827 Ca 0.02 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 3itm h TYR 827 Cb 1.13 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.30 3itm h TYR 827 CO 0.07 0.16 -0.11 -0.22 -1.64 0.00 0.00 178.16 176.42 3itm h LYS 828 N 0.33 0.30 0.06 1.82 3.64 -1.27 -2.29 116.57 119.16 3itm h LYS 828 Ca 0.13 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3itm h LYS 828 Cb 0.03 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3itm h LYS 828 CO -0.08 0.42 -0.03 1.49 -2.27 0.00 0.00 179.45 178.98 3itm h GLU 829 N 0.29 -0.08 -0.89 1.90 4.81 0.03 -2.74 114.58 117.89 3itm h GLU 829 Ca 0.06 0.01 0.24 0.00 -0.13 0.00 0.00 59.36 59.53 3itm h GLU 829 Cb 0.38 0.02 -0.15 0.00 0.63 0.00 0.00 28.75 29.62 3itm h GLU 829 CO 0.02 0.48 0.13 0.35 -0.73 0.00 0.00 179.01 179.26 3itm h PHE 830 N -0.74 0.15 -0.58 0.92 3.57 0.17 -2.59 116.94 117.84 3itm h PHE 830 Ca -0.01 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3itm h PHE 830 Cb 0.60 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.42 3itm h PHE 830 CO 0.13 -0.30 0.00 1.19 -2.23 0.00 0.00 178.31 177.10 3itm n PHE 831 N -5.34 0.77 -0.05 0.41 3.01 -0.87 -5.10 117.46 110.29 3itm n PHE 831 Ca 0.21 -0.38 0.00 0.00 1.01 0.00 0.00 57.45 58.28 3itm n PHE 831 Cb 0.68 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.15 3itm n PHE 831 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3itm n SER 832 N 1.25 0.00 0.00 4.37 3.41 -0.98 -5.05 113.62 116.61 3itm n SER 832 Ca 0.20 -1.41 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 3itm n SER 832 Cb 0.51 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 3itm n SER 832 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 3itm n GLU 837 N 3.53 0.00 -1.54 4.33 0.00 -1.26 -5.13 120.64 120.57 3itm n GLU 837 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 57.16 56.56 3itm n GLU 837 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.35 3itm n GLU 837 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 3itm n LYS 838 N 1.47 0.49 -0.67 3.44 3.00 -1.26 -4.98 118.16 119.66 3itm n LYS 838 Ca 0.00 0.16 -0.31 0.00 -0.00 0.00 0.00 58.31 58.16 3itm n LYS 838 Cb 0.00 -1.83 0.17 0.00 0.00 0.00 0.00 35.03 33.38 3itm n LYS 838 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3itm n ALA 839 N 6.43 -1.02 0.98 3.14 0.00 -1.26 -5.23 120.51 123.55 3itm n ALA 839 Ca 0.39 -0.60 0.13 0.00 0.00 0.00 0.00 53.44 53.36 3itm n ALA 839 Cb 0.05 -2.17 0.45 0.00 0.00 0.00 0.00 19.45 17.78 3itm n ALA 839 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3itm n MET 840 N -4.18 0.01 0.00 0.00 1.56 -1.26 -5.16 117.12 108.10 3itm n MET 840 Ca 0.11 0.01 0.00 0.00 -0.27 0.00 0.00 57.70 57.55 3itm n MET 840 Cb 0.52 -1.51 0.00 0.00 2.15 0.00 0.00 33.22 34.38 3itm n MET 840 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 3itm n MET 845 N -1.53 0.00 -0.15 2.12 2.81 -1.26 -4.95 117.12 114.16 3itm n MET 845 Ca 0.06 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.92 3itm n MET 845 Cb 0.34 0.00 0.05 0.00 -0.71 0.00 0.00 33.22 32.90 3itm n MET 845 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3itm h GLU 846 N 0.00 0.08 -0.04 0.03 4.57 -2.05 -2.40 114.58 114.76 3itm h GLU 846 Ca 0.00 -0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 3itm h GLU 846 Cb 0.00 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3itm h GLU 846 CO 0.00 0.05 -0.28 1.98 -1.18 0.00 0.00 179.01 179.58 3itm h MET 847 N 0.08 0.08 0.03 1.92 4.05 -2.00 -2.17 114.93 116.92 3itm h MET 847 Ca 0.23 -0.02 -0.22 0.00 -0.28 0.00 0.00 59.70 59.41 3itm h MET 847 Cb 0.35 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 3itm h MET 847 CO -0.42 0.36 -0.97 0.52 0.23 0.00 0.00 176.91 176.63 3itm h MET 848 N 0.07 0.21 0.28 0.39 2.86 -1.89 -2.90 114.93 113.95 3itm h MET 848 Ca 0.01 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 3itm h MET 848 Cb 0.54 0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.28 3itm h MET 848 CO 0.04 1.03 -0.13 -0.44 1.06 0.00 0.00 176.91 178.46 3itm h ASP 849 N 0.10 -0.31 -0.70 1.22 3.32 -0.95 -0.17 116.42 118.93 3itm h ASP 849 Ca -0.06 -0.16 0.20 0.00 0.02 0.00 0.00 57.03 57.03 3itm h ASP 849 Cb 1.64 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 41.24 3itm h ASP 849 CO 0.15 -0.00 0.59 -0.09 -1.72 0.00 0.00 179.24 178.16 3itm h ARG 850 N -0.64 0.00 0.15 3.56 2.43 -1.50 0.69 114.38 119.07 3itm h ARG 850 Ca -0.04 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3itm h ARG 850 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3itm h ARG 850 CO 0.06 0.00 -0.07 1.49 -1.51 0.00 0.00 179.97 179.94 3itm h GLU 851 N 0.00 -0.20 -0.62 0.20 4.57 -1.25 -3.25 114.58 114.03 3itm h GLU 851 Ca 0.33 0.01 0.18 0.00 -1.18 0.00 0.00 59.36 58.71 3itm h GLU 851 Cb 1.50 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 30.11 3itm h GLU 851 CO -0.00 0.06 0.76 0.87 -1.18 0.00 0.00 179.01 179.51 3itm h LYS 852 N -1.01 0.00 0.00 1.92 1.57 -0.46 -0.15 116.57 118.43 3itm h LYS 852 Ca -0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3itm h LYS 852 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3itm h LYS 852 CO 0.03 0.00 -0.02 0.00 -0.57 0.00 0.00 179.45 178.89 3itm h ALA 853 N 1.07 1.41 0.00 3.86 0.00 -0.91 -2.27 119.26 122.41 3itm h ALA 853 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3itm h ALA 853 Cb 1.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.60 3itm h ALA 853 CO -0.00 0.03 -0.37 0.66 0.00 0.00 0.00 179.25 179.57 3itm n TYR 854 N -3.71 0.60 -0.11 0.00 4.02 -0.07 -4.32 117.16 113.57 3itm n TYR 854 Ca -0.03 0.18 -0.07 0.00 -0.01 0.00 0.00 57.90 57.97 3itm n TYR 854 Cb 0.11 -0.71 -0.00 0.00 -0.02 0.00 0.00 39.34 38.72 3itm n TYR 854 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 3itm h ILE 855 N 0.00 0.31 -0.38 -0.72 5.03 -1.55 -1.91 117.51 118.28 3itm h ILE 855 Ca 0.00 0.00 0.04 0.00 -0.12 0.00 0.00 64.86 64.78 3itm h ILE 855 Cb 0.71 0.31 -0.05 0.00 -3.03 0.00 0.00 36.82 34.76 3itm h ILE 855 CO 0.00 0.00 -0.28 -0.65 -0.68 0.00 0.00 178.15 176.54 3itm h PRO 856 N -0.21 -0.07 -0.11 2.37 0.11 -1.79 0.19 132.00 132.50 3itm h PRO 856 Ca 0.18 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 3itm h PRO 856 Cb 0.49 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.61 3itm h PRO 856 CO -0.50 -0.05 -0.12 1.05 -0.21 0.00 0.00 178.00 178.17 3itm h GLU 857 N -0.07 0.16 -0.43 1.05 4.11 -1.80 0.16 114.58 117.75 3itm h GLU 857 Ca 0.06 -0.03 -0.14 0.00 0.07 0.00 0.00 59.36 59.32 3itm h GLU 857 Cb 0.23 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3itm h GLU 857 CO -0.40 0.30 -0.27 -0.07 0.07 0.00 0.00 179.01 178.64 3itm h LEU 858 N 0.16 0.99 -0.42 3.06 3.38 -1.01 -1.47 115.31 120.00 3itm h LEU 858 Ca 0.03 -0.42 -0.17 0.00 0.09 0.00 0.00 57.88 57.41 3itm h LEU 858 Cb 0.32 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3itm h LEU 858 CO 0.02 1.20 -0.49 -0.61 0.09 0.00 0.00 178.44 178.65 3itm h GLN 859 N 0.78 0.78 0.37 1.13 5.75 0.87 -0.66 115.11 124.14 3itm h GLN 859 Ca 0.09 -0.46 -0.02 0.00 -0.15 0.00 0.00 58.65 58.11 3itm h GLN 859 Cb 0.86 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.45 3itm h GLN 859 CO 0.08 1.09 -0.18 0.82 -2.65 0.00 0.00 178.83 177.99 3itm h ILE 860 N 0.62 0.64 -0.77 2.39 2.04 -0.76 0.18 117.51 121.84 3itm h ILE 860 Ca 0.03 -0.15 0.19 0.00 1.00 0.00 0.00 64.86 65.92 3itm h ILE 860 Cb 1.07 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3itm h ILE 860 CO 0.11 0.03 0.53 -1.28 0.00 0.00 0.00 178.15 177.53 3itm h SER 861 N -0.59 0.22 -0.24 1.72 0.87 -1.22 0.36 113.55 114.67 3itm h SER 861 Ca -0.05 0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.47 3itm h SER 861 Cb 0.43 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3itm h SER 861 CO 0.08 0.10 -0.08 0.15 -0.53 0.00 0.00 176.83 176.56 3itm h PHE 862 N 0.23 0.54 -0.28 2.24 3.57 -0.56 -2.30 116.94 120.37 3itm h PHE 862 Ca 0.38 -0.12 -0.16 0.00 3.53 0.00 0.00 57.97 61.59 3itm h PHE 862 Cb 1.15 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 3itm h PHE 862 CO -0.00 0.72 -0.48 0.52 -2.23 0.00 0.00 178.31 176.84 3itm h MET 863 N 0.21 0.77 -0.59 1.11 2.86 0.67 -1.87 114.93 118.08 3itm h MET 863 Ca 0.06 -0.44 -0.09 0.00 -2.06 0.00 0.00 59.70 57.16 3itm h MET 863 Cb 0.55 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 3itm h MET 863 CO 0.03 1.07 -0.00 1.49 1.06 0.00 0.00 176.91 180.56 3itm h GLU 864 N 0.61 1.04 0.00 1.72 4.81 -0.36 -0.00 114.58 122.40 3itm h GLU 864 Ca 0.03 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3itm h GLU 864 Cb 1.05 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3itm h GLU 864 CO 0.10 1.02 -1.12 0.72 -0.73 0.00 0.00 179.01 179.00 3itm n HIS 865 N -4.18 0.00 0.06 0.92 8.25 -0.87 -4.55 115.22 114.86 3itm n HIS 865 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3itm n HIS 865 Cb 0.34 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.30 3itm n HIS 865 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3itm n ILE 866 N -1.64 0.90 0.18 1.59 2.08 -0.76 -4.80 119.36 116.90 3itm n ILE 866 Ca -0.00 0.30 -0.14 0.00 0.56 0.00 0.00 62.75 63.46 3itm n ILE 866 Cb 0.26 -1.31 -0.08 0.00 -0.75 0.00 0.00 39.64 37.75 3itm n ILE 866 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3itm h ALA 867 N 0.00 -0.44 -0.15 -1.39 0.00 -1.48 -3.00 119.26 112.79 3itm h ALA 867 Ca 0.00 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3itm h ALA 867 Cb 0.00 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.89 3itm h ALA 867 CO 0.00 -0.62 -0.40 1.98 0.00 0.00 0.00 179.25 180.21 3itm h MET 868 N -0.70 -0.44 -0.98 0.00 -1.53 -1.23 -1.53 114.93 108.53 3itm h MET 868 Ca -0.05 0.03 0.20 0.00 -3.44 0.00 0.00 59.70 56.44 3itm h MET 868 Cb 0.48 0.10 -0.11 0.00 -0.55 0.00 0.00 31.60 31.52 3itm h MET 868 CO 0.07 -0.29 0.57 -1.35 0.14 0.00 0.00 176.91 176.05 3itm h PRO 869 N -0.46 0.67 0.03 0.39 0.11 -1.78 -1.07 132.00 129.89 3itm h PRO 869 Ca 0.09 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3itm h PRO 869 Cb 0.61 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 3itm h PRO 869 CO -0.40 0.44 -0.03 0.82 -0.21 0.00 0.00 178.00 178.62 3itm h ILE 870 N 0.69 0.93 0.00 4.15 2.04 -1.14 -0.77 117.51 123.41 3itm h ILE 870 Ca 0.58 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.44 3itm h ILE 870 Cb 0.94 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 3itm h ILE 870 CO -0.41 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.52 3itm n TYR 871 N -5.13 0.71 -0.04 1.37 4.02 -0.97 -2.19 117.16 114.93 3itm n TYR 871 Ca -0.07 0.23 -0.13 0.00 -0.01 0.00 0.00 57.90 57.91 3itm n TYR 871 Cb 0.07 -0.87 -0.08 0.00 -0.02 0.00 0.00 39.34 38.44 3itm n TYR 871 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 3itm h LYS 872 N 0.00 0.26 -0.46 -0.72 3.11 -0.84 -2.50 116.57 115.42 3itm h LYS 872 Ca 0.00 -0.15 0.09 0.00 -2.81 0.00 0.00 60.65 57.78 3itm h LYS 872 Cb 0.59 0.01 -0.07 0.00 -1.00 0.00 0.00 32.23 31.75 3itm h LYS 872 CO 0.00 0.71 0.00 -0.07 -2.81 0.00 0.00 179.45 177.28 3itm h LEU 873 N -0.17 -0.19 -0.45 5.20 3.38 -0.79 0.11 115.31 122.39 3itm h LEU 873 Ca 0.01 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.13 3itm h LEU 873 Cb 0.68 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 3itm h LEU 873 CO 0.03 -0.06 0.21 -0.07 0.09 0.00 0.00 178.44 178.64 3itm h LEU 874 N 0.11 0.29 -1.18 1.67 3.38 -1.48 -1.33 115.31 116.77 3itm h LEU 874 Ca 0.23 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 3itm h LEU 874 Cb 0.33 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3itm h LEU 874 CO -0.38 0.21 0.23 -0.61 0.09 0.00 0.00 178.44 177.98 3itm h GLN 875 N 0.42 0.81 -1.00 1.13 4.15 -0.89 0.83 115.11 120.56 3itm h GLN 875 Ca 0.20 -0.12 0.01 0.00 0.77 0.00 0.00 58.65 59.51 3itm h GLN 875 Cb 0.13 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 27.62 3itm h GLN 875 CO -0.16 0.65 0.66 -0.44 -1.93 0.00 0.00 178.83 177.62 3itm h ASP 876 N 0.80 1.14 0.43 -0.69 3.32 0.27 -3.06 116.42 118.63 3itm h ASP 876 Ca 0.19 -0.03 -0.31 0.00 0.02 0.00 0.00 57.03 56.91 3itm h ASP 876 Cb 0.14 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 3itm h ASP 876 CO -0.02 0.82 -1.72 -0.07 -1.72 0.00 0.00 179.24 176.54 3itm h LEU 877 N 1.34 0.14 -7.45 1.55 3.38 -0.63 -3.43 115.31 110.20 3itm h LEU 877 Ca 0.37 -0.28 -0.62 0.00 0.09 0.00 0.00 57.88 57.44 3itm h LEU 877 Cb -0.15 -0.04 -0.40 0.00 0.09 0.00 0.00 40.66 40.16 3itm h LEU 877 CO -0.08 1.25 -0.74 -0.36 0.09 0.00 0.00 178.44 178.59 3itm s PHE 878 N -2.60 2.79 0.30 1.13 0.08 0.28 -4.98 117.98 114.99 3itm s PHE 878 Ca -0.09 -2.38 0.06 0.00 0.12 0.00 0.00 56.93 54.64 3itm s PHE 878 Cb 0.08 -2.32 0.81 0.00 -0.57 0.00 0.00 43.02 41.02 3itm s PHE 878 CO 0.82 -0.91 1.68 -1.35 -0.10 0.00 0.00 175.22 175.36 3itm h PRO 879 N 7.84 0.34 0.00 0.24 0.11 -1.80 0.11 132.00 138.84 3itm h PRO 879 Ca -0.09 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.00 3itm h PRO 879 Cb 1.02 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3itm h PRO 879 CO 0.49 0.22 0.00 1.63 -0.21 0.00 0.00 178.00 180.14 3itm n LYS 880 N -5.08 0.07 0.00 1.05 5.02 -1.26 -1.56 118.16 116.40 3itm n LYS 880 Ca 0.24 0.57 0.15 0.00 -2.02 0.00 0.00 58.31 57.25 3itm n LYS 880 Cb 0.74 -1.73 0.76 0.00 -0.02 0.00 0.00 35.03 34.78 3itm n LYS 880 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3itm n ALA 881 N -1.64 2.61 -0.06 7.82 0.00 0.37 -4.26 120.51 125.35 3itm n ALA 881 Ca -0.01 -0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.16 3itm n ALA 881 Cb 0.02 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.01 3itm n ALA 881 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3itm h ALA 882 N 3.64 0.02 -0.64 0.00 0.00 -1.43 -1.00 119.26 119.85 3itm h ALA 882 Ca 0.00 0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.18 3itm h ALA 882 Cb 0.24 0.38 -0.12 0.00 0.00 0.00 0.00 17.79 18.30 3itm h ALA 882 CO 0.00 -0.58 0.03 -1.91 0.00 0.00 0.00 179.25 176.79 3itm n GLU 883 N -5.33 -0.05 0.03 0.00 2.13 -1.26 -1.56 120.64 114.60 3itm n GLU 883 Ca -0.00 0.95 -0.20 0.00 0.66 0.00 0.00 57.16 58.57 3itm n GLU 883 Cb 0.25 -1.52 -0.11 0.00 0.27 0.00 0.00 31.44 30.33 3itm n GLU 883 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3itm h LEU 884 N 0.00 0.84 -0.23 4.31 3.38 -1.49 -1.63 115.31 120.48 3itm h LEU 884 Ca 0.39 -0.74 -0.05 0.00 0.09 0.00 0.00 57.88 57.57 3itm h LEU 884 Cb 0.82 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3itm h LEU 884 CO -0.59 1.47 -0.06 0.22 0.09 0.00 0.00 178.44 179.57 3itm h TYR 885 N 0.29 0.51 -0.67 1.13 3.20 -1.22 -2.16 116.97 118.04 3itm h TYR 885 Ca -0.12 -0.11 0.08 0.00 3.14 0.00 0.00 58.73 61.72 3itm h TYR 885 Cb 1.62 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.73 3itm h TYR 885 CO 0.11 0.68 0.44 0.93 -1.64 0.00 0.00 178.16 178.69 3itm h GLU 886 N 0.19 0.59 -0.15 1.82 5.08 -1.33 0.29 114.58 121.07 3itm h GLU 886 Ca 0.06 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.24 3itm h GLU 886 Cb 0.52 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3itm h GLU 886 CO 0.02 0.39 -0.45 -0.09 -1.00 0.00 0.00 179.01 177.88 3itm h ARG 887 N 0.61 0.57 -0.29 2.33 2.43 -1.03 -1.87 114.38 117.13 3itm h ARG 887 Ca 0.30 -0.41 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 3itm h ARG 887 Cb 0.38 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3itm h ARG 887 CO -0.10 1.03 -0.17 -0.39 -1.51 0.00 0.00 179.97 178.84 3itm h VAL 888 N 0.21 1.24 -0.64 0.20 -1.51 -0.84 -1.28 116.25 113.63 3itm h VAL 888 Ca -0.01 -1.11 0.08 0.00 -1.23 0.00 0.00 66.70 64.42 3itm h VAL 888 Cb 1.07 1.21 -0.06 0.00 -2.13 0.00 0.00 31.29 31.38 3itm h VAL 888 CO 0.10 0.36 0.31 0.00 -1.23 0.00 0.00 177.57 177.11 3itm h ALA 889 N 1.36 0.86 0.00 5.19 0.00 -0.34 -0.42 119.26 125.91 3itm h ALA 889 Ca 0.08 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3itm h ALA 889 Cb 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3itm h ALA 889 CO 0.04 -0.06 -0.41 0.66 0.00 0.00 0.00 179.25 179.48 3itm h SER 890 N 0.56 0.00 0.02 0.00 4.64 -0.97 -1.19 113.55 116.62 3itm h SER 890 Ca 0.31 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3itm h SER 890 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3itm h SER 890 CO -0.24 0.41 -0.01 0.78 -0.87 0.00 0.00 176.83 176.90 3itm h ASN 891 N 0.00 -0.03 -1.03 4.97 2.35 -0.79 -1.63 115.58 119.42 3itm h ASN 891 Ca -0.00 -0.30 0.26 0.00 -0.55 0.00 0.00 56.30 55.71 3itm h ASN 891 Cb 1.22 0.01 -0.09 0.00 0.05 0.00 0.00 38.32 39.51 3itm h ASN 891 CO 0.05 0.29 0.67 -0.09 -1.65 0.00 0.00 177.43 176.70 3itm h ARG 892 N -0.34 0.35 -0.22 0.81 9.65 -0.95 0.13 114.38 123.81 3itm h ARG 892 Ca -0.00 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.84 3itm h ARG 892 Cb 0.33 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 3itm h ARG 892 CO 0.01 0.23 0.07 1.49 2.80 0.00 0.00 179.97 184.57 3itm h GLU 893 N 0.36 0.34 -0.56 0.20 4.57 -0.95 -2.20 114.58 116.34 3itm h GLU 893 Ca 0.58 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 58.58 3itm h GLU 893 Cb 1.52 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 30.04 3itm h GLU 893 CO -0.26 0.44 -0.05 1.25 -1.18 0.00 0.00 179.01 179.21 3itm h HIS 894 N 0.19 1.12 -0.41 0.92 2.76 0.15 -2.77 115.15 117.11 3itm h HIS 894 Ca 0.07 -0.21 0.04 0.00 -2.20 0.00 0.00 60.37 58.07 3itm h HIS 894 Cb 0.24 -0.29 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 3itm h HIS 894 CO 0.00 1.02 0.18 -1.49 -1.30 0.00 0.00 177.93 176.34 3itm h TRP 895 N 0.92 0.33 0.00 5.26 4.06 -1.02 -3.52 115.95 121.98 3itm h TRP 895 Ca 0.15 0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.12 3itm h TRP 895 Cb 0.61 -0.09 0.00 0.00 -1.00 0.00 0.00 29.16 28.68 3itm h TRP 895 CO 0.04 0.15 0.00 0.25 -3.56 0.00 0.00 178.44 175.33