#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ja3 s LYS 579 N 0.00 4.27 0.09 -1.40 2.20 -1.26 -5.04 119.74 118.61 2ja3 s LYS 579 Ca 0.00 0.52 -0.31 0.00 -0.36 0.00 0.00 55.97 55.82 2ja3 s LYS 579 Cb 0.00 -3.38 -0.07 0.00 -1.51 0.00 0.00 37.83 32.87 2ja3 s LYS 579 CO 0.00 0.29 1.30 0.99 -0.36 0.00 0.00 175.35 177.57 2ja3 s THR 580 N 0.18 3.63 0.48 3.43 2.01 -1.26 -5.01 115.64 119.10 2ja3 s THR 580 Ca 0.27 1.17 0.06 0.00 0.31 0.00 0.00 61.69 63.51 2ja3 s THR 580 Cb -0.16 -3.75 -0.00 0.00 0.01 0.00 0.00 72.50 68.59 2ja3 s THR 580 CO 0.13 0.09 0.33 -0.76 -0.69 0.00 0.00 174.62 173.72 2ja3 s LEU 581 N 1.04 2.98 0.18 4.42 1.43 -1.26 -1.72 118.68 125.75 2ja3 s LEU 581 Ca 0.62 -1.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 2ja3 s LEU 581 Cb -0.33 -1.47 0.10 0.00 0.03 0.00 0.00 46.19 44.51 2ja3 s LEU 581 CO 0.30 -0.84 1.80 0.00 0.23 0.00 0.00 176.35 177.85 2ja3 h ALA 582 N 1.01 0.80 0.00 4.21 0.00 -0.93 -2.19 119.26 122.15 2ja3 h ALA 582 Ca -0.40 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2ja3 h ALA 582 Cb 1.28 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ja3 h ALA 582 CO 0.61 0.30 0.01 0.00 0.00 0.00 0.00 179.25 180.18 2ja3 n MET 583 N -4.57 0.13 0.09 0.00 0.00 -1.02 -0.99 117.12 110.74 2ja3 n MET 583 Ca 0.04 0.62 0.12 0.00 0.00 0.00 0.00 57.70 58.49 2ja3 n MET 583 Cb 0.08 -1.93 0.10 0.00 0.00 0.00 0.00 33.22 31.47 2ja3 n MET 583 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 2ja3 h ASP 584 N 0.00 0.00 0.00 3.17 3.32 -1.70 -3.36 116.42 117.85 2ja3 h ASP 584 Ca 0.00 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 2ja3 h ASP 584 Cb 0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 2ja3 h ASP 584 CO 0.00 0.06 -1.25 0.52 -1.72 0.00 0.00 179.24 176.85 2ja3 n VAL 585 N -2.40 0.02 -1.48 -1.35 0.31 -0.18 -5.01 118.33 108.24 2ja3 n VAL 585 Ca 0.02 -0.13 -0.34 0.00 -0.01 0.00 0.00 64.34 63.88 2ja3 n VAL 585 Cb 0.49 0.32 0.09 0.00 -0.91 0.00 0.00 33.84 33.83 2ja3 n VAL 585 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ja3 s MET 586 N -2.36 2.21 0.04 5.55 0.23 -0.17 -4.96 119.30 119.84 2ja3 s MET 586 Ca -0.02 1.76 0.02 0.00 -1.03 0.00 0.00 55.69 56.42 2ja3 s MET 586 Cb 0.03 -1.84 -0.04 0.00 -1.53 0.00 0.00 34.83 31.45 2ja3 s MET 586 CO 0.22 -1.78 0.03 0.15 -2.03 0.00 0.00 175.02 171.61 2ja3 s LYS 587 N -3.88 2.77 0.55 3.16 -0.14 -0.84 -4.26 119.74 117.10 2ja3 s LYS 587 Ca 0.74 -0.67 -0.10 0.00 -1.36 0.00 0.00 55.97 54.58 2ja3 s LYS 587 Cb -0.29 -2.67 -0.05 0.00 -1.68 0.00 0.00 37.83 33.14 2ja3 s LYS 587 CO 0.44 0.59 0.93 -1.25 -0.76 0.00 0.00 175.35 175.31 2ja3 s PRO 588 N -1.96 3.66 0.52 -1.68 0.04 -1.26 -1.62 135.00 132.69 2ja3 s PRO 588 Ca 0.24 0.61 -0.09 0.00 0.04 0.00 0.00 61.00 61.80 2ja3 s PRO 588 Cb -0.12 -2.20 0.12 0.00 0.04 0.00 0.00 34.50 32.35 2ja3 s PRO 588 CO 0.15 -0.37 0.70 0.54 0.04 0.00 0.00 177.00 178.05 2ja3 n ARG 589 N -2.29 -0.73 0.11 4.56 5.12 -1.26 -4.94 116.66 117.24 2ja3 n ARG 589 Ca 0.04 -1.08 -0.01 0.00 -1.93 0.00 0.00 57.85 54.88 2ja3 n ARG 589 Cb 0.54 -0.72 0.26 0.00 -1.16 0.00 0.00 32.46 31.38 2ja3 n ARG 589 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2ja3 h ARG 590 N 0.00 0.19 -0.00 5.56 3.08 -1.98 -3.02 114.38 118.21 2ja3 h ARG 590 Ca -0.23 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.74 2ja3 h ARG 590 Cb 0.62 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2ja3 h ARG 590 CO 0.16 0.55 -0.08 0.27 -1.07 0.00 0.00 179.97 179.80 2ja3 n ASN 591 N -4.06 0.24 -4.98 7.04 0.23 -1.26 -4.90 115.26 107.57 2ja3 n ASN 591 Ca -0.01 -0.26 -0.20 0.00 -0.53 0.00 0.00 54.58 53.57 2ja3 n ASN 591 Cb 0.45 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 2ja3 n ASN 591 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2ja3 s ASP 592 N -2.61 5.91 0.81 0.53 -0.00 -1.14 -5.12 116.67 115.06 2ja3 s ASP 592 Ca 0.26 -0.04 -0.12 0.00 -0.00 0.00 0.00 52.55 52.65 2ja3 s ASP 592 Cb 0.20 -1.32 0.08 0.00 -0.00 0.00 0.00 42.92 41.88 2ja3 s ASP 592 CO 0.49 -0.53 1.13 -2.16 -0.00 0.00 0.00 175.17 174.10 2ja3 s PRO 593 N -4.31 1.95 1.00 8.23 0.04 -1.26 -4.81 135.00 135.84 2ja3 s PRO 593 Ca 0.46 0.34 -0.12 0.00 0.04 0.00 0.00 61.00 61.72 2ja3 s PRO 593 Cb -0.10 -1.93 0.15 0.00 0.04 0.00 0.00 34.50 32.66 2ja3 s PRO 593 CO 0.33 -1.65 0.84 1.28 0.04 0.00 0.00 177.00 177.85 2ja3 n LEU 594 N -3.40 1.00 -4.66 -3.56 7.99 -1.26 -4.69 117.00 108.42 2ja3 n LEU 594 Ca 0.07 0.23 -0.45 0.00 -0.01 0.00 0.00 56.01 55.86 2ja3 n LEU 594 Cb 0.59 -1.32 -0.02 0.00 -0.11 0.00 0.00 43.42 42.55 2ja3 n LEU 594 CO 0.57 -2.83 0.93 0.18 -1.51 0.00 0.00 177.39 174.73 2ja3 n LEU 595 N -3.45 2.92 -4.66 2.23 4.77 -1.26 -4.95 117.00 112.60 2ja3 n LEU 595 Ca 0.08 1.16 -0.43 0.00 -0.03 0.00 0.00 56.01 56.79 2ja3 n LEU 595 Cb 0.54 -1.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.20 2ja3 n LEU 595 CO 0.51 -0.64 0.90 -0.89 -1.33 0.00 0.00 177.39 175.95 2ja3 s THR 596 N -0.33 4.69 0.04 -5.08 2.01 -1.26 -5.01 115.64 110.70 2ja3 s THR 596 Ca 0.66 2.02 0.01 0.00 0.31 0.00 0.00 61.69 64.69 2ja3 s THR 596 Cb -0.66 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 67.52 2ja3 s THR 596 CO 0.53 -0.17 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.54 2ja3 s VAL 597 N 3.13 0.38 0.16 3.82 1.01 -1.26 -4.42 120.40 123.22 2ja3 s VAL 597 Ca 0.44 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 61.40 2ja3 s VAL 597 Cb -0.15 -0.55 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 2ja3 s VAL 597 CO 0.07 -0.46 0.09 -0.76 0.00 0.00 0.00 175.10 174.04 2ja3 s LEU 598 N -1.64 3.66 0.41 3.92 1.43 -0.75 -5.02 118.68 120.69 2ja3 s LEU 598 Ca -0.11 -0.20 0.08 0.00 -1.03 0.00 0.00 54.13 52.87 2ja3 s LEU 598 Cb -0.09 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.84 2ja3 s LEU 598 CO -0.01 0.08 0.53 0.42 0.23 0.00 0.00 176.35 177.60 2ja3 s THR 599 N -1.72 3.04 -0.94 5.49 -4.23 -1.26 -1.45 115.64 114.57 2ja3 s THR 599 Ca 0.30 -1.06 0.23 0.00 -1.18 0.00 0.00 61.69 59.98 2ja3 s THR 599 Cb -0.10 -3.04 -0.11 0.00 1.34 0.00 0.00 72.50 70.59 2ja3 s THR 599 CO 0.22 -0.02 1.13 0.00 -0.54 0.00 0.00 174.62 175.42 2ja3 n GLN 600 N -1.78 0.04 0.00 3.99 10.64 -0.92 -4.58 117.38 124.78 2ja3 n GLN 600 Ca 0.06 -0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.23 2ja3 n GLN 600 Cb 0.59 -1.51 0.00 0.00 -0.86 0.00 0.00 30.24 28.46 2ja3 n GLN 600 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2ja3 n ASP 601 N -1.57 0.88 -0.02 2.61 10.43 -1.26 -1.14 116.55 126.48 2ja3 n ASP 601 Ca 0.04 0.00 0.03 0.00 2.57 0.00 0.00 54.79 57.43 2ja3 n ASP 601 Cb 0.35 0.12 -0.03 0.00 1.84 0.00 0.00 41.12 43.40 2ja3 n ASP 601 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 2ja3 n SER 602 N -0.57 0.36 -4.70 -2.24 3.41 -1.26 -4.77 113.62 103.84 2ja3 n SER 602 Ca 0.00 -0.68 -0.42 0.00 -0.26 0.00 0.00 58.87 57.51 2ja3 n SER 602 Cb 0.05 0.94 -0.03 0.00 -0.26 0.00 0.00 64.21 64.92 2ja3 n SER 602 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 2ja3 s MET 603 N -1.51 4.43 0.79 4.33 -1.94 -1.26 -4.93 119.30 119.21 2ja3 s MET 603 Ca 0.03 1.65 -0.09 0.00 -1.71 0.00 0.00 55.69 55.56 2ja3 s MET 603 Cb 0.05 -3.45 0.11 0.00 2.01 0.00 0.00 34.83 33.55 2ja3 s MET 603 CO 0.24 -0.28 1.12 0.95 -0.01 0.00 0.00 175.02 177.04 2ja3 s THR 604 N 1.46 2.14 0.14 2.05 -4.23 -1.26 -0.36 115.64 115.57 2ja3 s THR 604 Ca 0.56 -0.19 -0.16 0.00 -1.18 0.00 0.00 61.69 60.72 2ja3 s THR 604 Cb -0.26 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 70.64 2ja3 s THR 604 CO 0.26 0.00 1.74 0.58 -0.54 0.00 0.00 174.62 176.66 2ja3 h VAL 605 N -0.94 1.16 -0.90 2.29 2.07 -0.90 -2.79 116.25 116.25 2ja3 h VAL 605 Ca -0.44 -0.43 0.02 0.00 0.82 0.00 0.00 66.70 66.67 2ja3 h VAL 605 Cb 1.29 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 2ja3 h VAL 605 CO 0.54 0.17 0.60 -0.08 0.02 0.00 0.00 177.57 178.81 2ja3 h GLU 606 N 0.52 1.15 -0.42 1.57 4.81 -1.60 -1.40 114.58 119.22 2ja3 h GLU 606 Ca 0.14 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2ja3 h GLU 606 Cb 0.08 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 2ja3 h GLU 606 CO -0.02 0.76 0.27 -0.44 -0.73 0.00 0.00 179.01 178.85 2ja3 h ASP 607 N 1.18 0.49 0.90 1.04 3.45 -1.79 -1.62 116.42 120.08 2ja3 h ASP 607 Ca 0.34 -0.03 -0.07 0.00 0.43 0.00 0.00 57.03 57.71 2ja3 h ASP 607 Cb -0.07 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.56 2ja3 h ASP 607 CO -0.09 0.37 -0.32 0.58 -1.57 0.00 0.00 179.24 178.22 2ja3 h VAL 608 N 0.57 0.75 0.23 -1.35 2.07 -1.21 -2.82 116.25 114.48 2ja3 h VAL 608 Ca 0.15 -1.37 -0.31 0.00 0.82 0.00 0.00 66.70 65.99 2ja3 h VAL 608 Cb -0.05 1.88 0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2ja3 h VAL 608 CO -0.03 0.31 -1.34 -0.33 0.02 0.00 0.00 177.57 176.20 2ja3 h GLU 609 N 0.00 0.50 -0.17 1.57 5.08 -0.91 -2.41 114.58 118.25 2ja3 h GLU 609 Ca -0.00 -0.85 -0.05 0.00 -1.00 0.00 0.00 59.36 57.46 2ja3 h GLU 609 Cb 0.85 0.31 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2ja3 h GLU 609 CO 0.04 1.41 -0.12 1.79 -1.00 0.00 0.00 179.01 181.12 2ja3 h THR 610 N 0.05 1.18 -0.23 1.13 1.35 -1.30 -1.39 112.91 113.69 2ja3 h THR 610 Ca -0.23 -0.80 -0.03 0.00 -0.55 0.00 0.00 66.41 64.79 2ja3 h THR 610 Cb 2.06 1.20 -0.01 0.00 -1.73 0.00 0.00 68.15 69.67 2ja3 h THR 610 CO 0.25 0.25 0.01 0.40 -0.25 0.00 0.00 175.52 176.18 2ja3 h ILE 611 N 0.26 1.25 -0.56 6.82 2.04 -1.52 -1.31 117.51 124.48 2ja3 h ILE 611 Ca 0.05 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 2ja3 h ILE 611 Cb 0.38 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 2ja3 h ILE 611 CO 0.02 0.27 0.23 0.40 0.00 0.00 0.00 178.15 179.07 2ja3 h ILE 612 N 0.18 1.20 -0.26 -0.67 2.04 -1.14 -2.61 117.51 116.25 2ja3 h ILE 612 Ca 0.07 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 2ja3 h ILE 612 Cb 0.39 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 2ja3 h ILE 612 CO 0.01 0.24 -0.06 -1.28 0.00 0.00 0.00 178.15 177.06 2ja3 h SER 613 N 0.80 0.50 0.23 1.72 0.87 -1.12 -3.29 113.55 113.26 2ja3 h SER 613 Ca 0.19 -0.37 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 2ja3 h SER 613 Cb 0.14 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2ja3 h SER 613 CO -0.02 0.75 -0.06 -0.62 -0.53 0.00 0.00 176.83 176.35 2ja3 n GLU 614 N -4.54 0.90 -4.40 2.24 1.02 -0.51 -4.91 120.64 110.45 2ja3 n GLU 614 Ca -0.04 -0.29 -0.20 0.00 -0.02 0.00 0.00 57.16 56.62 2ja3 n GLU 614 Cb 0.30 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.13 2ja3 n GLU 614 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2ja3 s THR 615 N -2.30 0.88 -0.03 2.62 -4.23 -1.01 -5.07 115.64 106.51 2ja3 s THR 615 Ca 0.35 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.91 2ja3 s THR 615 Cb 0.21 -2.70 0.09 0.00 1.34 0.00 0.00 72.50 71.43 2ja3 s THR 615 CO 0.43 0.00 1.04 0.35 -0.54 0.00 0.00 174.62 175.90 2ja3 n THR 616 N -0.60 0.46 -2.40 3.99 -2.24 -1.26 -4.88 114.28 107.34 2ja3 n THR 616 Ca -0.01 -0.61 -0.34 0.00 -2.27 0.00 0.00 64.05 60.82 2ja3 n THR 616 Cb 0.66 0.34 -0.02 0.00 -2.10 0.00 0.00 70.33 69.22 2ja3 n THR 616 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2ja3 s TYR 617 N -0.70 2.92 0.30 4.78 4.12 -1.26 -4.96 117.35 122.55 2ja3 s TYR 617 Ca 0.09 1.56 0.19 0.00 0.02 0.00 0.00 57.07 58.93 2ja3 s TYR 617 Cb 0.09 -3.11 0.89 0.00 -1.52 0.00 0.00 41.96 38.30 2ja3 s TYR 617 CO -0.00 -1.04 1.85 0.77 0.02 0.00 0.00 175.55 177.15 2ja3 h SER 618 N 1.30 0.00 -5.29 2.29 0.02 -1.98 -3.43 113.55 106.46 2ja3 h SER 618 Ca -0.49 0.00 0.14 0.00 -0.84 0.00 0.00 61.79 60.60 2ja3 h SER 618 Cb 1.23 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.71 2ja3 h SER 618 CO 0.58 0.31 0.46 -0.83 -1.14 0.00 0.00 176.83 176.22 2ja3 s GLY 619 N -4.30 -0.07 -0.01 -3.77 0.00 -1.26 -0.15 107.32 97.76 2ja3 s GLY 619 Ca -0.02 -0.12 0.01 0.00 0.00 0.00 0.00 44.72 44.60 2ja3 s GLY 619 CO 0.67 0.55 -0.04 -1.36 0.00 0.00 0.00 173.10 172.92 2ja3 s PHE 620 N -2.97 0.47 0.36 1.90 0.40 0.12 -4.93 117.98 113.33 2ja3 s PHE 620 Ca 0.15 -0.09 -0.26 0.00 -0.60 0.00 0.00 56.93 56.13 2ja3 s PHE 620 Cb -0.02 -0.36 -0.09 0.00 0.51 0.00 0.00 43.02 43.06 2ja3 s PHE 620 CO 0.04 -0.05 1.11 -2.14 0.70 0.00 0.00 175.22 174.88 2ja3 s PRO 621 N 0.19 4.29 -0.13 0.24 0.02 -1.26 -0.44 135.00 137.90 2ja3 s PRO 621 Ca -0.02 1.72 -0.03 0.00 0.02 0.00 0.00 61.00 62.69 2ja3 s PRO 621 Cb -0.05 -2.81 -0.03 0.00 0.02 0.00 0.00 34.50 31.63 2ja3 s PRO 621 CO -0.00 -0.08 -0.02 0.14 -0.33 0.00 0.00 177.00 176.71 2ja3 s VAL 622 N -1.41 4.10 0.33 3.83 -7.23 0.38 -1.82 120.40 118.59 2ja3 s VAL 622 Ca 0.53 -0.30 0.09 0.00 -1.81 0.00 0.00 61.98 60.49 2ja3 s VAL 622 Cb -0.28 -2.78 -0.06 0.00 0.56 0.00 0.00 36.38 33.82 2ja3 s VAL 622 CO 0.36 0.53 -0.09 0.68 -0.31 0.00 0.00 175.10 176.26 2ja3 s VAL 623 N -0.07 2.14 0.14 1.32 -7.23 -0.53 -1.03 120.40 115.14 2ja3 s VAL 623 Ca 0.03 -2.20 -0.17 0.00 -1.81 0.00 0.00 61.98 57.83 2ja3 s VAL 623 Cb -0.13 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 2ja3 s VAL 623 CO 0.02 -0.22 1.73 0.58 -0.31 0.00 0.00 175.10 176.90 2ja3 h VAL 624 N 2.07 1.15 -3.04 1.32 2.07 -1.28 -2.44 116.25 116.10 2ja3 h VAL 624 Ca -0.42 -0.41 0.05 0.00 0.82 0.00 0.00 66.70 66.74 2ja3 h VAL 624 Cb 1.25 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 2ja3 h VAL 624 CO 0.70 0.16 0.20 -0.94 0.02 0.00 0.00 177.57 177.71 2ja3 s SER 625 N -5.69 -0.28 0.39 0.57 1.04 -1.26 -4.27 113.70 104.20 2ja3 s SER 625 Ca -0.13 -0.56 0.17 0.00 0.48 0.00 0.00 55.95 55.91 2ja3 s SER 625 Cb 0.10 0.71 0.81 0.00 0.10 0.00 0.00 66.02 67.74 2ja3 s SER 625 CO 0.73 -1.29 1.82 0.03 0.98 0.00 0.00 173.24 175.51 2ja3 h ARG 626 N 2.02 0.00 0.01 4.02 3.08 -1.96 -1.22 114.38 120.33 2ja3 h ARG 626 Ca -0.21 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.81 2ja3 h ARG 626 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2ja3 h ARG 626 CO 0.26 0.34 -0.10 0.93 -1.07 0.00 0.00 179.97 180.33 2ja3 h GLU 627 N 0.00 0.06 -0.00 0.04 5.08 -2.01 -3.37 114.58 114.37 2ja3 h GLU 627 Ca -0.00 -0.07 -0.26 0.00 -1.00 0.00 0.00 59.36 58.02 2ja3 h GLU 627 Cb 0.72 0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.01 2ja3 h GLU 627 CO 0.04 0.90 -1.03 0.66 -1.00 0.00 0.00 179.01 178.58 2ja3 h SER 628 N -0.75 0.87 -3.75 1.42 4.64 -1.97 -3.48 113.55 110.53 2ja3 h SER 628 Ca -0.01 -0.69 -0.37 0.00 -0.47 0.00 0.00 61.79 60.24 2ja3 h SER 628 Cb 0.94 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2ja3 h SER 628 CO 0.02 1.50 -0.50 0.00 -0.87 0.00 0.00 176.83 176.97 2ja3 n GLN 629 N -3.84 -2.72 -2.90 4.77 1.13 -0.46 -4.72 117.38 108.63 2ja3 n GLN 629 Ca -0.10 0.85 -0.40 0.00 -1.94 0.00 0.00 57.00 55.40 2ja3 n GLN 629 Cb 0.88 -5.55 -0.04 0.00 0.11 0.00 0.00 30.24 25.63 2ja3 n GLN 629 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2ja3 s ARG 630 N -5.28 4.52 0.11 -1.09 0.52 -1.26 -0.87 118.95 115.60 2ja3 s ARG 630 Ca 0.11 1.15 -0.30 0.00 -0.52 0.00 0.00 55.73 56.16 2ja3 s ARG 630 Cb -0.05 -3.41 -0.06 0.00 0.52 0.00 0.00 34.95 31.95 2ja3 s ARG 630 CO 0.13 0.14 1.05 -1.17 0.02 0.00 0.00 175.30 175.47 2ja3 s LEU 631 N 0.42 4.46 -0.05 2.53 0.20 -1.26 -0.76 118.68 124.21 2ja3 s LEU 631 Ca 0.42 1.92 0.06 0.00 0.69 0.00 0.00 54.13 57.22 2ja3 s LEU 631 Cb -0.20 -3.59 -0.08 0.00 -0.43 0.00 0.00 46.19 41.89 2ja3 s LEU 631 CO 0.24 -0.21 0.04 0.52 -0.29 0.00 0.00 176.35 176.65 2ja3 n VAL 632 N 2.95 0.36 -3.74 1.68 0.31 -0.20 -4.87 118.33 114.82 2ja3 n VAL 632 Ca 0.04 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2ja3 n VAL 632 Cb 0.48 -0.65 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 2ja3 n VAL 632 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ja3 n GLY 633 N 2.54 -1.16 2.76 2.92 0.00 -1.08 -4.67 105.19 106.50 2ja3 n GLY 633 Ca -0.09 -1.09 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 2ja3 n GLY 633 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2ja3 s PHE 634 N -3.00 -0.01 0.07 1.61 5.36 -0.92 -0.47 117.98 120.62 2ja3 s PHE 634 Ca 0.00 0.29 0.08 0.00 -0.96 0.00 0.00 56.93 56.33 2ja3 s PHE 634 Cb 0.00 -0.32 -0.04 0.00 -0.34 0.00 0.00 43.02 42.32 2ja3 s PHE 634 CO 0.00 -0.16 -0.17 0.54 -1.46 0.00 0.00 175.22 173.96 2ja3 s VAL 635 N 1.70 2.88 0.28 3.12 0.11 0.41 -2.53 120.40 126.38 2ja3 s VAL 635 Ca -0.02 -1.28 -0.08 0.00 -2.93 0.00 0.00 61.98 57.68 2ja3 s VAL 635 Cb -0.12 -2.26 -0.06 0.00 -1.53 0.00 0.00 36.38 32.41 2ja3 s VAL 635 CO -0.04 0.25 0.58 -0.76 -3.33 0.00 0.00 175.10 171.80 2ja3 s LEU 636 N -1.72 4.07 0.13 2.54 1.43 -1.26 0.11 118.68 123.97 2ja3 s LEU 636 Ca 0.16 0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 53.96 2ja3 s LEU 636 Cb -0.11 -3.66 -0.00 0.00 0.03 0.00 0.00 46.19 42.45 2ja3 s LEU 636 CO 0.07 -0.18 1.66 -0.09 0.23 0.00 0.00 176.35 178.04 2ja3 h ARG 637 N 1.95 0.63 -0.51 1.70 2.43 -0.82 -2.59 114.38 117.16 2ja3 h ARG 637 Ca -0.47 -0.13 0.06 0.00 -0.81 0.00 0.00 59.98 58.62 2ja3 h ARG 637 Cb 1.18 -0.09 -0.09 0.00 -0.42 0.00 0.00 29.97 30.55 2ja3 h ARG 637 CO 0.67 0.62 -0.56 0.00 -1.51 0.00 0.00 179.97 179.19 2ja3 h ARG 638 N 0.52 -0.31 -0.40 0.20 3.08 -1.95 -1.78 114.38 113.74 2ja3 h ARG 638 Ca 0.13 0.02 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 2ja3 h ARG 638 Cb 0.25 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2ja3 h ARG 638 CO -0.01 -0.21 -0.15 -0.44 -1.07 0.00 0.00 179.97 178.10 2ja3 h ASP 639 N -0.32 0.73 0.26 7.04 3.32 -1.95 -2.31 116.42 123.19 2ja3 h ASP 639 Ca 0.09 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 2ja3 h ASP 639 Cb 0.56 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 2ja3 h ASP 639 CO -0.65 0.89 -0.16 -0.07 -1.72 0.00 0.00 179.24 177.52 2ja3 h LEU 640 N 0.66 -0.41 -0.36 1.55 3.38 -1.22 -0.57 115.31 118.33 2ja3 h LEU 640 Ca 0.11 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2ja3 h LEU 640 Cb 0.63 0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 2ja3 h LEU 640 CO 0.04 -0.26 0.14 0.40 0.09 0.00 0.00 178.44 178.85 2ja3 h ILE 641 N -0.41 0.92 -0.01 1.22 2.04 -1.20 -2.28 117.51 117.78 2ja3 h ILE 641 Ca -0.02 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.73 2ja3 h ILE 641 Cb 0.35 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2ja3 h ILE 641 CO 0.02 0.06 0.01 0.40 0.00 0.00 0.00 178.15 178.63 2ja3 h ILE 642 N 0.30 1.12 -0.21 -0.67 2.04 -1.33 -2.74 117.51 116.03 2ja3 h ILE 642 Ca 0.16 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.59 2ja3 h ILE 642 Cb 0.12 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 2ja3 h ILE 642 CO -0.15 0.10 -0.16 0.28 0.00 0.00 0.00 178.15 178.22 2ja3 h SER 643 N -0.13 0.34 0.79 1.72 0.02 -1.00 -2.45 113.55 112.84 2ja3 h SER 643 Ca 0.00 -0.09 -0.20 0.00 -0.84 0.00 0.00 61.79 60.67 2ja3 h SER 643 Cb 0.15 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 2ja3 h SER 643 CO -0.00 0.53 -0.93 0.40 -1.14 0.00 0.00 176.83 175.69 2ja3 h ILE 644 N 0.33 1.59 -0.37 3.27 2.04 -1.44 -2.88 117.51 120.06 2ja3 h ILE 644 Ca 0.06 -2.97 -0.16 0.00 1.00 0.00 0.00 64.86 62.79 2ja3 h ILE 644 Cb 0.47 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.20 2ja3 h ILE 644 CO 0.03 0.85 -0.41 -0.33 0.00 0.00 0.00 178.15 178.29 2ja3 h GLU 645 N 0.04 0.91 0.00 2.37 5.08 -1.19 -2.71 114.58 119.08 2ja3 h GLU 645 Ca -0.03 -0.49 -0.06 0.00 -1.00 0.00 0.00 59.36 57.78 2ja3 h GLU 645 Cb 1.61 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 2ja3 h GLU 645 CO 0.13 1.14 -0.27 -0.91 -1.00 0.00 0.00 179.01 178.10 2ja3 h ASN 646 N 0.74 0.00 0.53 1.42 2.35 -1.50 -3.24 115.58 115.88 2ja3 h ASN 646 Ca 0.05 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.54 2ja3 h ASN 646 Cb 1.00 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.38 2ja3 h ASN 646 CO 0.10 0.27 -1.16 0.00 -1.65 0.00 0.00 177.43 174.99 2ja3 h ALA 647 N 1.73 0.17 -0.47 -0.83 0.00 -1.26 -3.28 119.26 115.32 2ja3 h ALA 647 Ca -0.00 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2ja3 h ALA 647 Cb 0.59 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2ja3 h ALA 647 CO 0.04 0.91 0.00 2.89 0.00 0.00 0.00 179.25 183.09 2ja3 n ARG 648 N -3.60 2.23 0.00 0.00 1.85 -1.05 -2.16 116.66 113.93 2ja3 n ARG 648 Ca -0.08 -1.89 -0.01 0.00 -1.00 0.00 0.00 57.85 54.87 2ja3 n ARG 648 Cb 0.97 -1.43 -0.11 0.00 -1.05 0.00 0.00 32.46 30.84 2ja3 n ARG 648 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2ja3 n LYS 649 N 1.05 0.64 -2.66 2.89 5.02 -1.22 -4.87 118.16 119.01 2ja3 n LYS 649 Ca 0.18 0.15 -0.37 0.00 -2.02 0.00 0.00 58.31 56.25 2ja3 n LYS 649 Cb 0.46 -1.73 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 2ja3 n LYS 649 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2ja3 s LYS 650 N -2.90 4.40 0.37 1.97 -0.14 -1.25 -5.02 119.74 117.18 2ja3 s LYS 650 Ca -0.05 1.44 -0.27 0.00 -1.36 0.00 0.00 55.97 55.73 2ja3 s LYS 650 Cb 0.09 -2.71 -0.10 0.00 -1.68 0.00 0.00 37.83 33.43 2ja3 s LYS 650 CO 0.83 0.09 1.33 -1.14 -0.76 0.00 0.00 175.35 175.70 2ja3 s GLN 651 N -2.22 4.15 -1.75 1.68 0.74 -1.26 -2.07 119.66 118.93 2ja3 s GLN 651 Ca 0.53 2.25 -0.00 0.00 0.05 0.00 0.00 55.36 58.19 2ja3 s GLN 651 Cb -0.21 -2.92 0.00 0.00 1.10 0.00 0.00 33.01 30.98 2ja3 s GLN 651 CO 0.26 -0.37 0.04 -0.25 -0.55 0.00 0.00 175.29 174.42 2ja3 n ASP 652 N 0.46 -5.86 -0.41 6.67 8.00 -1.26 -4.98 116.55 119.16 2ja3 n ASP 652 Ca 0.02 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.49 2ja3 n ASP 652 Cb 0.42 -4.88 0.00 0.00 -0.02 0.00 0.00 41.12 36.65 2ja3 n ASP 652 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ja3 n GLY 653 N -1.04 1.69 3.84 0.44 0.00 -0.88 -4.90 105.19 104.35 2ja3 n GLY 653 Ca -0.24 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.57 2ja3 n GLY 653 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ja3 s VAL 654 N 2.28 4.38 0.15 1.61 1.01 -0.92 -4.56 120.40 124.36 2ja3 s VAL 654 Ca 0.00 0.93 0.02 0.00 0.00 0.00 0.00 61.98 62.93 2ja3 s VAL 654 Cb 0.00 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 2ja3 s VAL 654 CO 0.00 -0.86 0.06 1.33 0.00 0.00 0.00 175.10 175.63 2ja3 n VAL 655 N -2.37 0.00 0.18 2.92 0.24 -1.26 -4.54 118.33 113.50 2ja3 n VAL 655 Ca 0.07 -0.88 0.06 0.00 -2.04 0.00 0.00 64.34 61.55 2ja3 n VAL 655 Cb 0.54 0.32 0.56 0.00 -1.47 0.00 0.00 33.84 33.79 2ja3 n VAL 655 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2ja3 h SER 656 N 0.61 0.14 -0.54 -1.34 0.02 -1.98 -2.63 113.55 107.83 2ja3 h SER 656 Ca -0.12 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 2ja3 h SER 656 Cb 0.45 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.95 2ja3 h SER 656 CO 0.18 0.12 0.00 0.35 -1.14 0.00 0.00 176.83 176.34 2ja3 n THR 657 N -4.50 0.82 -1.85 -2.27 -2.24 -1.26 -1.64 114.28 101.33 2ja3 n THR 657 Ca -0.01 -0.91 -0.41 0.00 -2.27 0.00 0.00 64.05 60.44 2ja3 n THR 657 Cb 0.10 0.67 -0.02 0.00 -2.10 0.00 0.00 70.33 68.98 2ja3 n THR 657 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2ja3 s SER 658 N -1.13 6.47 0.09 3.42 0.01 -0.99 -4.78 113.70 116.78 2ja3 s SER 658 Ca 0.40 2.85 -0.24 0.00 1.31 0.00 0.00 55.95 60.27 2ja3 s SER 658 Cb 0.22 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 2ja3 s SER 658 CO 0.29 -0.85 0.75 -0.63 0.41 0.00 0.00 173.24 173.21 2ja3 s ILE 659 N 0.04 4.61 -0.05 1.44 1.01 -1.26 -0.58 121.20 126.41 2ja3 s ILE 659 Ca 0.62 1.61 -0.11 0.00 0.00 0.00 0.00 60.65 62.77 2ja3 s ILE 659 Cb -0.46 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 37.86 2ja3 s ILE 659 CO 0.46 0.44 0.29 -0.63 0.00 0.00 0.00 174.94 175.49 2ja3 s ILE 660 N -0.51 5.24 -0.02 2.92 1.01 0.51 -1.52 121.20 128.82 2ja3 s ILE 660 Ca 0.36 0.55 -0.05 0.00 0.00 0.00 0.00 60.65 61.52 2ja3 s ILE 660 Cb -0.21 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.69 2ja3 s ILE 660 CO 0.24 0.59 0.11 -0.72 0.00 0.00 0.00 174.94 175.16 2ja3 s TYR 661 N -1.07 -0.03 -1.09 3.97 -0.85 -0.90 -4.24 117.35 113.14 2ja3 s TYR 661 Ca 0.20 0.06 0.09 0.00 -0.52 0.00 0.00 57.07 56.91 2ja3 s TYR 661 Cb -0.15 -0.02 0.11 0.00 0.38 0.00 0.00 41.96 42.29 2ja3 s TYR 661 CO 0.09 -0.16 0.88 1.19 -1.52 0.00 0.00 175.55 176.03 2ja3 n PHE 662 N 2.28 0.08 -2.08 -3.49 3.01 -0.29 -1.63 117.46 115.34 2ja3 n PHE 662 Ca -0.17 -0.10 -0.28 0.00 1.01 0.00 0.00 57.45 57.91 2ja3 n PHE 662 Cb 0.57 -0.01 0.16 0.00 -0.01 0.00 0.00 39.48 40.19 2ja3 n PHE 662 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2ja3 s THR 663 N -0.82 2.04 0.16 4.37 -4.23 -1.25 -4.53 115.64 111.37 2ja3 s THR 663 Ca 0.13 -0.14 -0.07 0.00 -1.18 0.00 0.00 61.69 60.43 2ja3 s THR 663 Cb 0.08 -2.91 -0.07 0.00 1.34 0.00 0.00 72.50 70.94 2ja3 s THR 663 CO 0.12 0.00 1.46 -0.33 -0.54 0.00 0.00 174.62 175.33 2ja3 h GLU 664 N -1.31 0.69 -5.99 3.99 5.08 -1.97 -3.45 114.58 111.62 2ja3 h GLU 664 Ca -0.43 -0.44 -0.57 0.00 -1.00 0.00 0.00 59.36 56.92 2ja3 h GLU 664 Cb 1.25 0.05 -0.14 0.00 0.50 0.00 0.00 28.75 30.42 2ja3 h GLU 664 CO 0.42 1.06 -0.74 -1.01 -1.00 0.00 0.00 179.01 177.74 2ja3 s HIS 665 N -4.04 2.15 0.43 4.33 3.76 -1.26 -5.12 115.29 115.53 2ja3 s HIS 665 Ca -0.09 -0.43 -0.25 0.00 -0.15 0.00 0.00 55.06 54.15 2ja3 s HIS 665 Cb 0.11 -0.99 -0.08 0.00 1.11 0.00 0.00 32.58 32.73 2ja3 s HIS 665 CO 0.86 0.60 1.23 0.45 -0.85 0.00 0.00 174.74 177.03 2ja3 s SER 666 N -3.47 6.26 0.90 1.40 0.15 -1.26 -4.98 113.70 112.69 2ja3 s SER 666 Ca 0.28 2.49 -0.11 0.00 0.70 0.00 0.00 55.95 59.31 2ja3 s SER 666 Cb -0.03 -2.62 0.13 0.00 -1.71 0.00 0.00 66.02 61.79 2ja3 s SER 666 CO 0.13 -0.87 1.09 -2.16 1.20 0.00 0.00 173.24 172.63 2ja3 s PRO 667 N -2.41 1.25 -0.02 5.44 0.04 -1.26 -4.97 135.00 133.07 2ja3 s PRO 667 Ca 0.60 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.22 2ja3 s PRO 667 Cb -0.34 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2ja3 s PRO 667 CO 0.42 -2.27 1.33 -1.25 0.04 0.00 0.00 177.00 175.28 2ja3 s PRO 668 N -4.90 4.31 0.14 0.56 0.04 -1.26 -5.03 135.00 128.86 2ja3 s PRO 668 Ca 0.64 1.87 0.10 0.00 0.04 0.00 0.00 61.00 63.64 2ja3 s PRO 668 Cb -0.18 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 30.76 2ja3 s PRO 668 CO 0.57 -0.53 -0.24 -0.51 0.04 0.00 0.00 177.00 176.34 2ja3 s LEU 669 N 2.30 2.35 0.68 -3.56 2.01 -1.26 -5.13 118.68 116.07 2ja3 s LEU 669 Ca 0.61 -0.76 -0.17 0.00 0.01 0.00 0.00 54.13 53.82 2ja3 s LEU 669 Cb -0.29 -1.07 0.01 0.00 0.01 0.00 0.00 46.19 44.85 2ja3 s LEU 669 CO 0.25 0.11 1.28 -2.84 1.01 0.00 0.00 176.35 176.16 2ja3 s PRO 670 N -2.21 2.34 1.16 1.29 0.02 -1.26 -4.99 135.00 131.35 2ja3 s PRO 670 Ca 0.13 2.01 -0.13 0.00 0.02 0.00 0.00 61.00 63.03 2ja3 s PRO 670 Cb -0.09 -1.83 0.28 0.00 0.02 0.00 0.00 34.50 32.88 2ja3 s PRO 670 CO 0.06 -1.75 1.03 -1.25 -0.33 0.00 0.00 177.00 174.77 2ja3 s PRO 671 N -3.54 -0.85 -1.64 5.54 0.04 -1.26 -3.74 135.00 129.54 2ja3 s PRO 671 Ca 0.81 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.60 2ja3 s PRO 671 Cb -0.36 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2ja3 s PRO 671 CO 0.42 -3.66 0.00 0.66 0.04 0.00 0.00 177.00 174.46 2ja3 n TYR 672 N -4.86 -1.02 -4.04 0.56 4.01 -1.26 -4.99 117.16 105.56 2ja3 n TYR 672 Ca 0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.51 2ja3 n TYR 672 Cb 0.55 -3.65 -0.04 0.00 -0.31 0.00 0.00 39.34 35.89 2ja3 n TYR 672 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2ja3 s THR 673 N -2.91 4.78 0.91 -0.72 -4.23 -1.25 -5.11 115.64 107.12 2ja3 s THR 673 Ca 0.00 -0.99 -0.11 0.00 -1.18 0.00 0.00 61.69 59.42 2ja3 s THR 673 Cb 0.00 -3.47 0.14 0.00 1.34 0.00 0.00 72.50 70.51 2ja3 s THR 673 CO 0.00 -0.14 1.11 -2.16 -0.54 0.00 0.00 174.62 172.89 2ja3 s PRO 674 N -3.26 1.06 0.48 3.99 0.04 -1.26 -4.97 135.00 131.07 2ja3 s PRO 674 Ca 0.32 1.28 -0.24 0.00 0.04 0.00 0.00 61.00 62.40 2ja3 s PRO 674 Cb -0.10 -1.75 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 2ja3 s PRO 674 CO 0.25 -2.52 1.34 -2.30 0.04 0.00 0.00 177.00 173.81 2ja3 n PRO 675 N -4.13 1.91 -3.33 0.56 -0.02 -1.26 -4.78 135.00 123.96 2ja3 n PRO 675 Ca 0.09 0.69 -0.26 0.00 -2.02 0.00 0.00 63.50 62.00 2ja3 n PRO 675 Cb 0.53 -2.51 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 2ja3 n PRO 675 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2ja3 s THR 676 N -1.24 5.07 -0.29 3.45 -4.23 -1.26 -4.41 115.64 112.73 2ja3 s THR 676 Ca 0.65 -0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 60.90 2ja3 s THR 676 Cb -0.46 -3.81 0.04 0.00 1.34 0.00 0.00 72.50 69.61 2ja3 s THR 676 CO 0.55 -0.48 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.90 2ja3 s LEU 677 N -4.05 3.70 -0.35 4.79 0.20 -0.58 -4.99 118.68 117.40 2ja3 s LEU 677 Ca 0.42 -1.17 -0.24 0.00 0.69 0.00 0.00 54.13 53.83 2ja3 s LEU 677 Cb -0.10 -1.70 0.01 0.00 -0.43 0.00 0.00 46.19 43.97 2ja3 s LEU 677 CO 0.34 -0.22 0.84 -0.75 -0.29 0.00 0.00 176.35 176.27 2ja3 s LYS 678 N 1.27 3.83 -0.17 1.98 2.20 -1.26 -2.13 119.74 125.46 2ja3 s LYS 678 Ca -0.04 0.47 0.17 0.00 -0.36 0.00 0.00 55.97 56.21 2ja3 s LYS 678 Cb -0.19 -3.79 0.51 0.00 -1.51 0.00 0.00 37.83 32.85 2ja3 s LYS 678 CO -0.02 -0.85 1.40 1.28 -0.36 0.00 0.00 175.35 176.81 2ja3 n LEU 679 N 6.49 3.77 0.10 5.43 4.77 -0.64 -4.63 117.00 132.28 2ja3 n LEU 679 Ca 0.05 -2.99 0.15 0.00 -0.03 0.00 0.00 56.01 53.19 2ja3 n LEU 679 Cb 0.48 -0.53 0.67 0.00 -2.33 0.00 0.00 43.42 41.71 2ja3 n LEU 679 CO 0.54 0.68 1.14 -0.09 -1.33 0.00 0.00 177.39 178.33 2ja3 h ARG 680 N 1.71 0.01 0.00 3.23 1.12 -1.80 -2.62 114.38 116.03 2ja3 h ARG 680 Ca 0.00 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2ja3 h ARG 680 Cb 1.40 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.35 2ja3 h ARG 680 CO 0.20 0.01 0.00 0.27 -3.11 0.00 0.00 179.97 177.34 2ja3 n ASN 681 N -4.44 0.00 -0.25 -3.80 0.23 -1.26 -2.60 115.26 103.14 2ja3 n ASN 681 Ca 0.05 -0.33 0.02 0.00 -0.53 0.00 0.00 54.58 53.79 2ja3 n ASN 681 Cb 0.40 -0.20 0.06 0.00 -2.08 0.00 0.00 39.78 37.95 2ja3 n ASN 681 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 2ja3 n ILE 682 N -1.20 0.92 -3.42 1.53 -5.35 -0.99 -5.02 119.36 105.83 2ja3 n ILE 682 Ca 0.15 -0.96 -0.37 0.00 -0.27 0.00 0.00 62.75 61.30 2ja3 n ILE 682 Cb 0.18 0.55 -0.07 0.00 -1.74 0.00 0.00 39.64 38.56 2ja3 n ILE 682 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2ja3 s LEU 683 N -0.95 4.22 -0.48 7.28 2.96 -1.07 -4.62 118.68 126.02 2ja3 s LEU 683 Ca 0.09 0.61 -0.28 0.00 -0.22 0.00 0.00 54.13 54.32 2ja3 s LEU 683 Cb 0.05 -2.52 0.02 0.00 0.50 0.00 0.00 46.19 44.23 2ja3 s LEU 683 CO 0.06 0.01 1.36 -0.62 -1.32 0.00 0.00 176.35 175.84 2ja3 s ASP 684 N 0.71 6.32 0.00 3.68 2.15 -1.05 -4.89 116.67 123.59 2ja3 s ASP 684 Ca 0.20 0.54 0.29 0.00 0.43 0.00 0.00 52.55 54.02 2ja3 s ASP 684 Cb -0.14 -2.54 1.31 0.00 -0.30 0.00 0.00 42.92 41.24 2ja3 s ASP 684 CO 0.07 -1.51 1.92 0.18 -0.17 0.00 0.00 175.17 175.67 2ja3 n LEU 685 N 8.92 0.23 -3.12 -1.34 4.77 -1.26 -2.16 117.00 123.03 2ja3 n LEU 685 Ca 0.14 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 56.08 2ja3 n LEU 685 Cb 0.49 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2ja3 n LEU 685 CO 0.71 0.04 -0.11 -1.20 -1.33 0.00 0.00 177.39 175.50 2ja3 n SER 686 N -1.18 1.98 -4.75 -1.43 7.64 -1.26 -4.82 113.62 109.80 2ja3 n SER 686 Ca 0.13 -3.21 -0.40 0.00 1.01 0.00 0.00 58.87 56.39 2ja3 n SER 686 Cb 0.27 -0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 62.82 2ja3 n SER 686 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2ja3 s PRO 687 N -2.71 4.74 0.37 1.43 0.04 -1.26 -5.01 135.00 132.60 2ja3 s PRO 687 Ca 0.43 1.59 -0.27 0.00 0.04 0.00 0.00 61.00 62.79 2ja3 s PRO 687 Cb 0.32 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 31.49 2ja3 s PRO 687 CO -0.10 0.33 1.24 0.12 0.04 0.00 0.00 177.00 178.63 2ja3 s PHE 688 N -0.83 3.05 0.05 0.56 5.36 -1.26 -4.96 117.98 119.95 2ja3 s PHE 688 Ca 0.44 1.49 0.04 0.00 -0.96 0.00 0.00 56.93 57.94 2ja3 s PHE 688 Cb -0.27 -3.54 -0.02 0.00 -0.34 0.00 0.00 43.02 38.85 2ja3 s PHE 688 CO 0.34 -1.60 -0.11 0.99 -1.46 0.00 0.00 175.22 173.38 2ja3 s THR 689 N -1.27 0.88 0.07 0.12 2.01 -1.26 -2.70 115.64 113.48 2ja3 s THR 689 Ca 0.53 -1.06 0.03 0.00 0.31 0.00 0.00 61.69 61.50 2ja3 s THR 689 Cb -0.35 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.28 2ja3 s THR 689 CO 0.46 -0.18 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.43 2ja3 s VAL 690 N -1.09 0.71 0.50 3.82 1.01 -0.31 -4.96 120.40 120.08 2ja3 s VAL 690 Ca -0.03 -1.45 -0.05 0.00 0.00 0.00 0.00 61.98 60.45 2ja3 s VAL 690 Cb -0.09 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 2ja3 s VAL 690 CO 0.01 -0.54 0.80 0.42 0.00 0.00 0.00 175.10 175.79 2ja3 s THR 691 N -2.21 4.64 0.42 3.92 -4.23 -1.26 -1.14 115.64 115.78 2ja3 s THR 691 Ca -0.00 0.14 0.23 0.00 -1.18 0.00 0.00 61.69 60.88 2ja3 s THR 691 Cb -0.04 -3.78 0.25 0.00 1.34 0.00 0.00 72.50 70.27 2ja3 s THR 691 CO -0.01 -0.76 2.03 -2.24 -0.54 0.00 0.00 174.62 173.10 2ja3 h ASP 692 N 0.16 0.00 -0.30 3.99 -0.00 -1.36 -2.34 116.42 116.57 2ja3 h ASP 692 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.56 2ja3 h ASP 692 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.55 2ja3 h ASP 692 CO 0.61 0.15 0.00 0.18 -0.00 0.00 0.00 179.24 180.19 2ja3 n LEU 693 N -3.84 1.91 -4.68 0.15 4.77 -1.26 -2.44 117.00 111.61 2ja3 n LEU 693 Ca -0.02 -0.90 -0.43 0.00 -0.03 0.00 0.00 56.01 54.64 2ja3 n LEU 693 Cb 0.25 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2ja3 n LEU 693 CO 0.32 0.45 0.93 -0.89 -1.33 0.00 0.00 177.39 176.87 2ja3 s THR 694 N -1.61 4.49 0.30 -5.08 2.01 -0.88 -4.82 115.64 110.05 2ja3 s THR 694 Ca 0.28 1.79 -0.29 0.00 0.31 0.00 0.00 61.69 63.79 2ja3 s THR 694 Cb 0.15 -4.16 -0.13 0.00 0.01 0.00 0.00 72.50 68.37 2ja3 s THR 694 CO 0.21 -0.06 1.27 -2.65 -0.69 0.00 0.00 174.62 172.70 2ja3 n PRO 695 N 5.66 1.93 0.09 4.92 -0.02 -1.26 -0.76 135.00 145.56 2ja3 n PRO 695 Ca 0.11 0.68 0.03 0.00 -2.02 0.00 0.00 63.50 62.30 2ja3 n PRO 695 Cb 0.47 -2.25 0.42 0.00 -0.02 0.00 0.00 33.50 32.11 2ja3 n PRO 695 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2ja3 h MET 696 N 2.99 0.34 -0.93 -0.52 2.86 -1.58 -1.70 114.93 116.39 2ja3 h MET 696 Ca -0.44 -0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.24 2ja3 h MET 696 Cb 1.29 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 32.82 2ja3 h MET 696 CO 0.66 0.35 0.57 1.05 1.06 0.00 0.00 176.91 180.60 2ja3 h GLU 697 N 0.33 0.91 -0.33 1.72 4.11 -1.91 0.28 114.58 119.68 2ja3 h GLU 697 Ca 0.08 -0.05 -0.12 0.00 0.07 0.00 0.00 59.36 59.33 2ja3 h GLU 697 Cb 0.20 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2ja3 h GLU 697 CO 0.00 0.60 -0.26 0.82 0.07 0.00 0.00 179.01 180.24 2ja3 h ILE 698 N 0.93 1.29 -0.36 -1.06 2.04 -1.69 -2.15 117.51 116.51 2ja3 h ILE 698 Ca 0.45 -1.42 0.02 0.00 1.00 0.00 0.00 64.86 64.91 2ja3 h ILE 698 Cb 0.39 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 2ja3 h ILE 698 CO -0.25 0.46 0.19 0.58 0.00 0.00 0.00 178.15 179.14 2ja3 h VAL 699 N 0.54 1.00 -0.81 1.67 2.07 -0.84 0.92 116.25 120.79 2ja3 h VAL 699 Ca 0.06 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2ja3 h VAL 699 Cb 0.83 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2ja3 h VAL 699 CO 0.07 0.07 0.50 0.58 0.02 0.00 0.00 177.57 178.81 2ja3 h VAL 700 N 0.39 1.22 -0.30 2.57 2.07 -0.48 -1.38 116.25 120.35 2ja3 h VAL 700 Ca 0.15 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.20 2ja3 h VAL 700 Cb 0.05 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 2ja3 h VAL 700 CO -0.09 0.23 0.19 -0.78 0.02 0.00 0.00 177.57 177.14 2ja3 h ASP 701 N 1.11 0.32 -0.75 0.57 3.58 -0.66 -2.12 116.42 118.48 2ja3 h ASP 701 Ca 0.29 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 2ja3 h ASP 701 Cb -0.06 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 40.88 2ja3 h ASP 701 CO -0.06 0.23 0.45 0.40 -2.88 0.00 0.00 179.24 177.39 2ja3 h ILE 702 N 0.39 1.21 -0.13 2.25 2.04 -0.42 -1.98 117.51 120.87 2ja3 h ILE 702 Ca 0.11 -0.48 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2ja3 h ILE 702 Cb -0.03 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 2ja3 h ILE 702 CO -0.03 0.23 0.05 -0.26 0.00 0.00 0.00 178.15 178.13 2ja3 h PHE 703 N 1.05 0.20 -0.10 1.37 -1.00 -0.95 -2.50 116.94 115.01 2ja3 h PHE 703 Ca 0.27 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 61.03 2ja3 h PHE 703 Cb -0.03 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.46 2ja3 h PHE 703 CO 0.00 0.30 0.02 -0.09 -1.61 0.00 0.00 178.31 176.93 2ja3 h ARG 704 N 0.05 0.15 0.00 1.51 2.43 -1.13 -0.68 114.38 116.70 2ja3 h ARG 704 Ca 0.04 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.05 2ja3 h ARG 704 Cb 0.18 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2ja3 h ARG 704 CO -0.00 0.34 -0.61 0.87 -1.51 0.00 0.00 179.97 179.06 2ja3 h LYS 705 N -0.05 0.00 0.00 0.20 1.57 -1.43 -3.24 116.57 113.62 2ja3 h LYS 705 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2ja3 h LYS 705 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2ja3 h LYS 705 CO 0.00 0.61 -1.21 1.28 -0.57 0.00 0.00 179.45 179.56 2ja3 n LEU 706 N -3.74 0.64 -2.88 2.94 4.77 -0.94 -5.03 117.00 112.76 2ja3 n LEU 706 Ca -0.01 -0.35 -0.13 0.00 -0.03 0.00 0.00 56.01 55.49 2ja3 n LEU 706 Cb 0.62 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.78 2ja3 n LEU 706 CO 0.42 0.16 0.08 0.61 -1.33 0.00 0.00 177.39 177.32 2ja3 n GLY 707 N 1.43 -0.26 3.83 -0.72 0.00 -0.27 -5.00 105.19 104.19 2ja3 n GLY 707 Ca 0.01 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2ja3 n GLY 707 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ja3 s LEU 708 N -5.29 4.13 -0.07 0.99 1.43 -1.17 -5.00 118.68 113.70 2ja3 s LEU 708 Ca 0.06 1.45 -0.24 0.00 -1.03 0.00 0.00 54.13 54.37 2ja3 s LEU 708 Cb -0.01 -4.06 -0.27 0.00 0.03 0.00 0.00 46.19 41.89 2ja3 s LEU 708 CO 0.57 -0.17 0.91 0.03 0.23 0.00 0.00 176.35 177.92 2ja3 h ARG 709 N 2.55 0.19 -4.02 1.70 -0.00 -1.94 -3.44 114.38 109.41 2ja3 h ARG 709 Ca -0.48 -0.27 -0.21 0.00 -0.50 0.00 0.00 59.98 58.53 2ja3 h ARG 709 Cb 1.18 0.09 -0.09 0.00 0.00 0.00 0.00 29.97 31.16 2ja3 h ARG 709 CO 0.64 1.07 -0.20 1.14 0.00 0.00 0.00 179.97 182.62 2ja3 s GLN 710 N -2.63 1.75 -0.08 0.04 0.00 -1.26 -1.31 119.66 116.17 2ja3 s GLN 710 Ca -0.16 -1.60 -0.05 0.00 -0.00 0.00 0.00 55.36 53.55 2ja3 s GLN 710 Cb -0.00 0.44 0.04 0.00 0.00 0.00 0.00 33.01 33.48 2ja3 s GLN 710 CO 0.76 -0.72 0.19 0.00 0.00 0.00 0.00 175.29 175.53 2ja3 s LEU 712 N 0.92 4.44 -0.13 0.00 1.43 -1.10 0.38 118.68 124.62 2ja3 s LEU 712 Ca -0.07 0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 53.78 2ja3 s LEU 712 Cb -0.08 -2.39 -0.03 0.00 0.03 0.00 0.00 46.19 43.72 2ja3 s LEU 712 CO -0.05 0.36 -0.04 -0.69 0.23 0.00 0.00 176.35 176.15 2ja3 s VAL 713 N -1.04 3.85 0.17 -1.59 1.01 0.34 -1.16 120.40 121.97 2ja3 s VAL 713 Ca 0.20 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.88 2ja3 s VAL 713 Cb -0.15 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 2ja3 s VAL 713 CO 0.10 0.53 -0.19 0.42 0.00 0.00 0.00 175.10 175.95 2ja3 s THR 714 N 0.03 1.88 -0.20 3.92 -4.23 -0.29 -0.92 115.64 115.83 2ja3 s THR 714 Ca 0.00 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.60 2ja3 s THR 714 Cb -0.13 -1.87 0.04 0.00 1.34 0.00 0.00 72.50 71.88 2ja3 s THR 714 CO 0.03 -0.28 -0.09 -2.28 -0.54 0.00 0.00 174.62 171.45 2ja3 s HIS 715 N -1.97 2.34 -1.48 3.99 5.65 -0.29 -0.88 115.29 122.66 2ja3 s HIS 715 Ca 0.16 -1.55 -0.08 0.00 0.25 0.00 0.00 55.06 53.84 2ja3 s HIS 715 Cb -0.06 -1.60 0.06 0.00 -1.18 0.00 0.00 32.58 29.80 2ja3 s HIS 715 CO 0.07 -0.73 0.76 0.09 -0.65 0.00 0.00 174.74 174.28 2ja3 n ASN 716 N 4.70 -2.71 0.00 9.88 3.02 -1.26 -2.07 115.26 126.82 2ja3 n ASN 716 Ca -0.14 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 2ja3 n ASN 716 Cb 0.46 -3.58 0.00 0.00 -0.61 0.00 0.00 39.78 36.05 2ja3 n ASN 716 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ja3 n GLY 717 N -1.68 1.79 3.88 7.41 0.00 -1.26 -5.03 105.19 110.30 2ja3 n GLY 717 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 2ja3 n GLY 717 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ja3 s ARG 718 N -0.08 3.26 0.06 1.61 0.52 -0.88 -4.60 118.95 118.83 2ja3 s ARG 718 Ca 0.00 -0.54 -0.30 0.00 -0.52 0.00 0.00 55.73 54.36 2ja3 s ARG 718 Cb 0.00 -2.93 -0.05 0.00 0.52 0.00 0.00 34.95 32.49 2ja3 s ARG 718 CO 0.00 0.58 1.12 -1.17 0.02 0.00 0.00 175.30 175.85 2ja3 s LEU 719 N -2.57 4.39 0.00 2.53 2.96 -0.05 -1.13 118.68 124.81 2ja3 s LEU 719 Ca 0.33 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 56.16 2ja3 s LEU 719 Cb -0.12 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 42.99 2ja3 s LEU 719 CO 0.26 -0.37 0.00 -0.11 -1.32 0.00 0.00 176.35 174.81 2ja3 n LEU 720 N 3.69 0.24 0.00 -0.68 0.00 -0.10 -4.88 117.00 115.28 2ja3 n LEU 720 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.08 2ja3 n LEU 720 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.90 2ja3 n LEU 720 CO 0.54 0.04 0.01 0.61 0.00 0.00 0.00 177.39 178.59 2ja3 n GLY 721 N 2.92 0.77 3.12 -3.96 0.00 -0.89 -4.62 105.19 102.52 2ja3 n GLY 721 Ca 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 2ja3 n GLY 721 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ja3 s ILE 722 N -2.24 0.11 -0.14 -0.61 2.07 -0.64 -0.50 121.20 119.24 2ja3 s ILE 722 Ca 0.00 -0.89 -0.02 0.00 -1.41 0.00 0.00 60.65 58.33 2ja3 s ILE 722 Cb -0.00 -0.68 0.04 0.00 0.13 0.00 0.00 42.46 41.96 2ja3 s ILE 722 CO 0.00 -0.49 0.01 -0.63 -1.91 0.00 0.00 174.94 171.92 2ja3 s ILE 723 N -2.04 0.52 0.42 2.00 1.01 0.16 -1.98 121.20 121.29 2ja3 s ILE 723 Ca -0.10 -0.29 -0.00 0.00 0.00 0.00 0.00 60.65 60.26 2ja3 s ILE 723 Cb -0.04 -0.85 -0.02 0.00 0.01 0.00 0.00 42.46 41.56 2ja3 s ILE 723 CO -0.02 0.02 0.65 0.42 0.00 0.00 0.00 174.94 176.00 2ja3 s THR 724 N 1.88 4.48 0.29 2.92 -4.23 -1.26 -0.07 115.64 119.65 2ja3 s THR 724 Ca 0.02 -0.40 0.03 0.00 -1.18 0.00 0.00 61.69 60.16 2ja3 s THR 724 Cb -0.15 -3.66 0.29 0.00 1.34 0.00 0.00 72.50 70.32 2ja3 s THR 724 CO -0.07 -0.47 1.82 0.50 -0.54 0.00 0.00 174.62 175.85 2ja3 h LYS 725 N 0.49 0.89 -0.56 3.99 3.64 -1.49 -1.38 116.57 122.15 2ja3 h LYS 725 Ca -0.47 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 58.76 2ja3 h LYS 725 Cb 1.24 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 2ja3 h LYS 725 CO 0.59 0.59 -0.01 -0.22 -2.27 0.00 0.00 179.45 178.13 2ja3 h LYS 726 N 0.91 0.97 -0.85 1.90 3.64 -1.94 -1.73 116.57 119.48 2ja3 h LYS 726 Ca 0.53 -0.30 0.11 0.00 -1.27 0.00 0.00 60.65 59.72 2ja3 h LYS 726 Cb 0.64 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 2ja3 h LYS 726 CO -0.31 0.96 0.55 -0.44 -2.27 0.00 0.00 179.45 177.95 2ja3 h ASP 727 N 0.89 0.69 0.07 4.20 3.32 -1.64 0.11 116.42 124.06 2ja3 h ASP 727 Ca 0.16 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.04 2ja3 h ASP 727 Cb 0.53 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.97 2ja3 h ASP 727 CO 0.03 0.39 -0.74 0.58 -1.72 0.00 0.00 179.24 177.77 2ja3 h VAL 728 N 0.75 1.33 -0.39 -1.35 2.07 -1.15 -2.58 116.25 114.94 2ja3 h VAL 728 Ca 0.40 -2.05 -0.13 0.00 0.82 0.00 0.00 66.70 65.74 2ja3 h VAL 728 Cb 0.53 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2ja3 h VAL 728 CO -0.17 0.63 -0.29 -0.07 0.02 0.00 0.00 177.57 177.69 2ja3 h LEU 729 N 0.40 0.87 -1.05 2.57 3.38 -0.50 -1.96 115.31 119.03 2ja3 h LEU 729 Ca -0.04 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 2ja3 h LEU 729 Cb 1.34 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 2ja3 h LEU 729 CO 0.14 1.10 -0.47 0.11 0.09 0.00 0.00 178.44 179.41 2ja3 h LYS 730 N 0.71 0.01 -0.10 1.13 1.57 -1.02 -1.60 116.57 117.27 2ja3 h LYS 730 Ca 0.08 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.67 2ja3 h LYS 730 Cb 0.84 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 2ja3 h LYS 730 CO 0.07 0.48 -0.70 1.25 -0.57 0.00 0.00 179.45 179.98 2ja3 h HIS 731 N 0.01 0.59 -0.27 -1.35 2.76 -1.18 -1.92 115.15 113.80 2ja3 h HIS 731 Ca -0.00 -0.25 -0.19 0.00 -2.20 0.00 0.00 60.37 57.72 2ja3 h HIS 731 Cb 0.84 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.70 2ja3 h HIS 731 CO 0.00 1.00 -0.58 0.82 -1.30 0.00 0.00 177.93 177.87 2ja3 h ILE 732 N 0.31 1.27 -0.44 6.26 2.04 -1.25 -3.03 117.51 122.67 2ja3 h ILE 732 Ca -0.02 -1.76 -0.04 0.00 1.00 0.00 0.00 64.86 64.03 2ja3 h ILE 732 Cb 1.27 1.68 -0.02 0.00 -0.74 0.00 0.00 36.82 39.01 2ja3 h ILE 732 CO 0.12 0.57 0.12 0.00 0.00 0.00 0.00 178.15 178.96 2ja3 h ALA 733 N 0.66 1.37 -0.08 1.87 0.00 -1.23 -1.74 119.26 120.12 2ja3 h ALA 733 Ca 0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2ja3 h ALA 733 Cb 1.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2ja3 h ALA 733 CO 0.13 0.45 -0.35 0.37 0.00 0.00 0.00 179.25 179.85 2ja3 h GLN 734 N 0.64 0.15 0.00 0.00 4.15 -1.33 -2.04 115.11 116.69 2ja3 h GLN 734 Ca 0.15 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 2ja3 h GLN 734 Cb 0.23 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.91 2ja3 h GLN 734 CO -0.00 0.49 -0.12 0.52 -1.93 0.00 0.00 178.83 177.79 2ja3 h MET 735 N 0.14 0.00 -0.01 1.69 2.86 -1.28 -3.29 114.93 115.05 2ja3 h MET 735 Ca 0.02 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 2ja3 h MET 735 Cb 0.69 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.36 2ja3 h MET 735 CO 0.05 0.12 -0.29 0.00 1.06 0.00 0.00 176.91 177.85 2ja3 h ALA 736 N 1.88 0.04 0.00 6.32 0.00 -0.71 -3.35 119.26 123.44 2ja3 h ALA 736 Ca -0.00 -0.47 -0.57 0.00 0.00 0.00 0.00 54.91 53.87 2ja3 h ALA 736 Cb 0.99 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.82 2ja3 h ALA 736 CO 0.02 0.12 3.40 -1.71 0.00 0.00 0.00 179.25 181.08 2ja3 n ASN 737 N -4.47 7.30 0.00 0.00 5.15 -0.82 -4.40 115.26 118.01 2ja3 n ASN 737 Ca -0.10 -2.49 0.00 0.00 -0.60 0.00 0.00 54.58 51.40 2ja3 n ASN 737 Cb 0.52 -1.39 0.00 0.00 -0.53 0.00 0.00 39.78 38.38 2ja3 n ASN 737 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2ja3 n GLN 738 N 3.87 0.00 0.01 1.20 -0.06 -1.26 -4.99 117.38 116.15 2ja3 n GLN 738 Ca 0.66 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.66 2ja3 n GLN 738 Cb 0.20 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.38 2ja3 n GLN 738 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2ja3 n ASP 739 N -0.46 -0.23 0.00 1.69 5.68 -1.26 -5.08 116.55 116.89 2ja3 n ASP 739 Ca 0.00 0.07 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 2ja3 n ASP 739 Cb 0.00 0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 2ja3 n ASP 739 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2ja3 n LEU 744 N -2.37 0.00 0.06 -2.12 -0.00 -1.26 -5.11 117.00 106.20 2ja3 n LEU 744 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.00 2ja3 n LEU 744 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 2ja3 n LEU 744 CO 0.00 0.00 -0.02 0.15 -0.00 0.00 0.00 177.39 177.52 2ja3 h PHE 745 N 0.00 0.00 -0.48 1.96 3.57 -1.97 -3.32 116.94 116.70 2ja3 h PHE 745 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2ja3 h PHE 745 Cb 0.00 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 2ja3 h PHE 745 CO 0.00 0.68 0.31 -0.91 -2.23 0.00 0.00 178.31 176.15 2ja3 h ASN 746 N 0.00 0.52 0.21 0.41 4.21 -1.99 -2.56 115.58 116.37 2ja3 h ASN 746 Ca -0.11 -0.01 -0.00 0.00 1.21 0.00 0.00 56.30 57.40 2ja3 h ASN 746 Cb 1.61 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 38.68 2ja3 h ASN 746 CO 0.07 0.38 -0.00 -0.33 -1.29 0.00 0.00 177.43 176.25 2ja3 h GLU 747 N 0.62 0.00 -0.04 0.81 5.08 -1.96 0.62 114.58 119.71 2ja3 h GLU 747 Ca 0.18 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.34 2ja3 h GLU 747 Cb -0.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.22 2ja3 h GLU 747 CO -0.05 0.00 -0.75 0.35 -1.00 0.00 0.00 179.01 177.56 2ja3 h PHE 748 N 0.00 0.83 -0.09 4.33 3.57 -1.59 -3.32 116.94 120.67 2ja3 h PHE 748 Ca -0.00 -0.42 -0.05 0.00 3.53 0.00 0.00 57.97 61.03 2ja3 h PHE 748 Cb 0.11 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 2ja3 h PHE 748 CO 0.00 1.24 -0.16 -0.07 -2.23 0.00 0.00 178.31 177.09 2ja3 h LEU 749 N 0.19 0.14 -0.64 0.59 3.38 -0.71 -2.73 115.31 115.52 2ja3 h LEU 749 Ca -0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2ja3 h LEU 749 Cb 1.42 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 2ja3 h LEU 749 CO 0.15 0.31 0.41 -0.33 0.09 0.00 0.00 178.44 179.08 2ja3 h GLU 750 N 0.14 0.85 -0.86 1.13 5.08 -1.52 -1.56 114.58 117.85 2ja3 h GLU 750 Ca 0.03 -0.06 0.15 0.00 -1.00 0.00 0.00 59.36 58.48 2ja3 h GLU 750 Cb 0.37 -0.19 -0.10 0.00 0.50 0.00 0.00 28.75 29.34 2ja3 h GLU 750 CO 0.02 0.58 0.44 0.28 -1.00 0.00 0.00 179.01 179.33 2ja3 h VAL 751 N 0.87 0.72 0.00 3.13 2.07 -1.61 -3.52 116.25 117.91 2ja3 h VAL 751 Ca 0.23 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2ja3 h VAL 751 Cb -0.08 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 29.74 2ja3 h VAL 751 CO -0.05 0.11 0.00 0.18 0.02 0.00 0.00 177.57 177.84