#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 3.95 0.06 1.57 -2.85 -1.26 -4.98 119.74 116.24 2ja3 s LYS 579 Ca 0.00 0.52 -0.30 0.00 -1.00 0.00 0.00 55.97 55.19 2ja3 s LYS 579 Cb 0.00 -2.63 -0.05 0.00 -2.06 0.00 0.00 37.83 33.09 2ja3 s LYS 579 CO 0.00 0.29 1.14 -0.08 0.10 0.00 0.00 175.35 176.80 2ja3 s THR 580 N -1.80 4.19 0.35 3.79 -1.32 -1.26 -5.00 115.64 114.59 2ja3 s THR 580 Ca 0.48 1.61 0.07 0.00 -1.21 0.00 0.00 61.69 62.64 2ja3 s THR 580 Cb -0.12 -4.03 -0.02 0.00 -1.51 0.00 0.00 72.50 66.83 2ja3 s THR 580 CO 0.19 0.15 0.40 -0.76 -2.21 0.00 0.00 174.62 172.39 2ja3 s LEU 581 N 0.86 3.74 0.55 9.08 1.43 -1.26 -1.48 118.68 131.60 2ja3 s LEU 581 Ca 0.56 -0.38 0.24 0.00 -1.03 0.00 0.00 54.13 53.51 2ja3 s LEU 581 Cb -0.28 -2.46 1.49 0.00 0.03 0.00 0.00 46.19 44.97 2ja3 s LEU 581 CO 0.30 -0.45 2.12 0.00 0.23 0.00 0.00 176.35 178.55 2ja3 h ALA 582 N 1.03 1.97 0.00 4.21 0.00 -0.67 -0.75 119.26 125.06 2ja3 h ALA 582 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2ja3 h ALA 582 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2ja3 h ALA 582 CO 0.55 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.59 2ja3 n MET 583 N -4.20 0.14 0.03 0.00 0.00 -1.05 -1.64 117.12 110.40 2ja3 n MET 583 Ca 0.01 0.29 -0.05 0.00 0.00 0.00 0.00 57.70 57.95 2ja3 n MET 583 Cb 0.26 -1.72 -0.10 0.00 0.00 0.00 0.00 33.22 31.65 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 0.07 3.17 3.32 -1.45 -3.37 116.42 118.16 2ja3 h ASP 584 Ca 0.00 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.78 2ja3 h ASP 584 Cb 0.42 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.92 2ja3 h ASP 584 CO 0.00 0.85 -2.20 0.52 -1.72 0.00 0.00 179.24 176.69 2ja3 n VAL 585 N -3.10 1.07 -0.98 -1.35 0.31 -1.13 -5.00 118.33 108.15 2ja3 n VAL 585 Ca -0.09 -0.76 -0.33 0.00 -0.01 0.00 0.00 64.34 63.15 2ja3 n VAL 585 Cb 0.94 -0.40 0.13 0.00 -0.91 0.00 0.00 33.84 33.60 2ja3 n VAL 585 CO 0.00 0.00 0.00 1.15 -1.32 0.00 0.00 176.83 176.66 2ja3 n MET 586 N -2.66 -0.02 -4.41 5.55 0.00 -0.65 -4.96 117.12 109.97 2ja3 n MET 586 Ca -0.24 0.07 -0.24 0.00 0.00 0.00 0.00 57.70 57.29 2ja3 n MET 586 Cb 1.00 -2.33 -0.11 0.00 0.00 0.00 0.00 33.22 31.78 2ja3 n MET 586 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2ja3 s LYS 587 N -4.11 1.50 0.63 3.17 3.01 -0.45 -4.35 119.74 119.14 2ja3 s LYS 587 Ca 0.70 -1.58 -0.14 0.00 -1.01 0.00 0.00 55.97 53.94 2ja3 s LYS 587 Cb -0.27 -1.67 -0.02 0.00 -1.01 0.00 0.00 37.83 34.86 2ja3 s LYS 587 CO 0.55 0.34 1.06 -2.14 0.51 0.00 0.00 175.35 175.66 2ja3 s PRO 588 N -3.00 3.19 0.70 -1.68 0.02 -1.26 -1.40 135.00 131.57 2ja3 s PRO 588 Ca 0.22 1.12 -0.12 0.00 0.02 0.00 0.00 61.00 62.25 2ja3 s PRO 588 Cb -0.06 -2.02 0.17 0.00 0.02 0.00 0.00 34.50 32.61 2ja3 s PRO 588 CO 0.10 -0.91 0.65 0.54 -0.33 0.00 0.00 177.00 177.06 2ja3 n ARG 589 N -2.39 -2.09 -1.70 5.54 5.12 -1.26 -4.91 116.66 114.97 2ja3 n ARG 589 Ca 0.08 -1.04 -0.44 0.00 -1.93 0.00 0.00 57.85 54.52 2ja3 n ARG 589 Cb 0.53 -0.94 -0.03 0.00 -1.16 0.00 0.00 32.46 30.86 2ja3 n ARG 589 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2ja3 n ARG 590 N -3.37 2.39 -2.65 5.56 1.74 -1.26 -2.97 116.66 116.11 2ja3 n ARG 590 Ca 0.09 0.86 -0.15 0.00 -0.77 0.00 0.00 57.85 57.88 2ja3 n ARG 590 Cb 0.34 -2.63 -0.00 0.00 -1.02 0.00 0.00 32.46 29.15 2ja3 n ARG 590 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2ja3 n ASN 591 N 3.14 -4.09 -5.01 0.55 2.04 -1.26 -5.01 115.26 105.62 2ja3 n ASN 591 Ca 0.14 0.05 -0.17 0.00 -0.44 0.00 0.00 54.58 54.16 2ja3 n ASN 591 Cb 0.32 -3.44 0.02 0.00 -2.53 0.00 0.00 39.78 34.15 2ja3 n ASN 591 CO 0.00 0.00 0.00 -1.81 -0.44 0.00 0.00 177.26 175.01 2ja3 s ASP 592 N -2.20 5.57 0.49 0.53 -0.00 -1.16 -5.08 116.67 114.83 2ja3 s ASP 592 Ca 0.09 -0.46 -0.23 0.00 -0.00 0.00 0.00 52.55 51.96 2ja3 s ASP 592 Cb -0.05 -0.55 -0.08 0.00 -0.00 0.00 0.00 42.92 42.25 2ja3 s ASP 592 CO 0.11 -0.85 1.20 -2.65 -0.00 0.00 0.00 175.17 172.98 2ja3 n PRO 593 N -1.92 1.58 -0.64 8.23 -0.02 -1.26 -4.96 135.00 136.01 2ja3 n PRO 593 Ca 0.09 0.57 -0.30 0.00 -2.02 0.00 0.00 63.50 61.84 2ja3 n PRO 593 Cb 0.59 -2.35 0.20 0.00 -0.02 0.00 0.00 33.50 31.93 2ja3 n PRO 593 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2ja3 s LEU 594 N -2.06 2.08 0.27 2.45 1.43 -1.26 -4.76 118.68 116.83 2ja3 s LEU 594 Ca 0.67 1.94 -0.30 0.00 -1.03 0.00 0.00 54.13 55.41 2ja3 s LEU 594 Cb -0.47 -4.14 -0.14 0.00 0.03 0.00 0.00 46.19 41.47 2ja3 s LEU 594 CO 0.53 -3.53 1.23 -0.11 0.23 0.00 0.00 176.35 174.71 2ja3 n LEU 595 N -4.50 2.65 -4.61 1.79 0.00 -1.26 -4.93 117.00 106.15 2ja3 n LEU 595 Ca 0.08 1.17 -0.42 0.00 0.00 0.00 0.00 56.01 56.85 2ja3 n LEU 595 Cb 0.53 -1.38 -0.05 0.00 0.00 0.00 0.00 43.42 42.52 2ja3 n LEU 595 CO 0.52 -0.85 0.59 -0.89 0.00 0.00 0.00 177.39 176.76 2ja3 s THR 596 N -0.64 4.77 0.14 1.96 2.01 -1.26 -5.03 115.64 117.59 2ja3 s THR 596 Ca 0.63 1.11 0.04 0.00 0.31 0.00 0.00 61.69 63.78 2ja3 s THR 596 Cb -0.67 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 67.63 2ja3 s THR 596 CO 0.56 -0.30 -0.10 0.68 -0.69 0.00 0.00 174.62 174.77 2ja3 s VAL 597 N 3.00 1.14 0.23 3.82 -7.23 -1.26 -4.25 120.40 115.84 2ja3 s VAL 597 Ca 0.32 -1.97 0.07 0.00 -1.81 0.00 0.00 61.98 58.59 2ja3 s VAL 597 Cb -0.14 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.01 2ja3 s VAL 597 CO 0.14 -0.70 0.15 -0.76 -0.31 0.00 0.00 175.10 173.61 2ja3 s LEU 598 N -3.01 3.71 0.24 1.32 1.43 -0.20 -5.00 118.68 117.16 2ja3 s LEU 598 Ca 0.14 -0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.04 2ja3 s LEU 598 Cb 0.01 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 43.93 2ja3 s LEU 598 CO 0.01 0.00 0.16 0.42 0.23 0.00 0.00 176.35 177.17 2ja3 s THR 599 N -2.03 4.33 -0.99 5.49 -4.23 -1.26 -1.11 115.64 115.84 2ja3 s THR 599 Ca 0.32 -1.41 0.28 0.00 -1.18 0.00 0.00 61.69 59.70 2ja3 s THR 599 Cb -0.08 -3.32 0.18 0.00 1.34 0.00 0.00 72.50 70.62 2ja3 s THR 599 CO 0.24 -0.31 1.78 0.00 -0.54 0.00 0.00 174.62 175.79 2ja3 n GLN 600 N -1.00 0.01 0.00 3.99 10.64 -0.65 -4.42 117.38 125.94 2ja3 n GLN 600 Ca -0.08 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 2ja3 n GLN 600 Cb 0.57 -1.51 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 2ja3 n GLN 600 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 2ja3 n ASP 601 N -1.53 0.00 0.00 2.61 4.64 -1.26 -1.36 116.55 119.65 2ja3 n ASP 601 Ca 0.07 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.48 2ja3 n ASP 601 Cb 0.34 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.42 2ja3 n ASP 601 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 2ja3 n SER 602 N 0.00 1.30 -4.80 1.67 3.41 -1.26 -4.85 113.62 109.10 2ja3 n SER 602 Ca 0.00 -0.22 -0.37 0.00 -0.26 0.00 0.00 58.87 58.01 2ja3 n SER 602 Cb 0.00 0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 64.60 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 -0.97 4.36 0.58 4.33 -1.94 -1.26 -4.90 119.30 119.50 2ja3 s MET 603 Ca 0.00 0.98 -0.05 0.00 -1.71 0.00 0.00 55.69 54.91 2ja3 s MET 603 Cb 0.00 -3.02 0.01 0.00 2.01 0.00 0.00 34.83 33.84 2ja3 s MET 603 CO 0.00 0.46 0.87 0.95 -0.01 0.00 0.00 175.02 177.29 2ja3 s THR 604 N -1.38 3.56 0.28 2.05 -4.23 -1.26 -0.17 115.64 114.49 2ja3 s THR 604 Ca 0.40 -0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.77 2ja3 s THR 604 Cb -0.19 -3.40 0.21 0.00 1.34 0.00 0.00 72.50 70.46 2ja3 s THR 604 CO 0.23 -0.39 1.89 0.58 -0.54 0.00 0.00 174.62 176.39 2ja3 h VAL 605 N -0.12 1.22 -0.63 2.29 2.07 -0.36 -2.12 116.25 118.60 2ja3 h VAL 605 Ca -0.45 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 2ja3 h VAL 605 Cb 1.26 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2ja3 h VAL 605 CO 0.60 0.26 0.08 -0.08 0.02 0.00 0.00 177.57 178.45 2ja3 h GLU 606 N 0.99 1.06 -0.09 1.57 4.81 -1.54 -2.31 114.58 119.08 2ja3 h GLU 606 Ca 0.24 -0.30 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2ja3 h GLU 606 Cb 0.08 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2ja3 h GLU 606 CO -0.03 1.00 0.04 -0.44 -0.73 0.00 0.00 179.01 178.84 2ja3 h ASP 607 N 0.98 0.05 -0.02 1.04 3.45 -1.66 -1.92 116.42 118.34 2ja3 h ASP 607 Ca 0.19 0.01 -0.08 0.00 0.43 0.00 0.00 57.03 57.58 2ja3 h ASP 607 Cb 0.46 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.21 2ja3 h ASP 607 CO 0.02 0.05 -0.21 0.58 -1.57 0.00 0.00 179.24 178.10 2ja3 h VAL 608 N 0.09 1.24 -0.46 -1.35 2.07 -1.40 -2.73 116.25 113.72 2ja3 h VAL 608 Ca 0.04 -1.13 -0.09 0.00 0.82 0.00 0.00 66.70 66.33 2ja3 h VAL 608 Cb 0.01 1.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2ja3 h VAL 608 CO -0.03 0.36 -0.07 -0.33 0.02 0.00 0.00 177.57 177.52 2ja3 h GLU 609 N 0.36 0.81 -0.01 1.57 5.08 -1.10 -2.01 114.58 119.29 2ja3 h GLU 609 Ca 0.06 -0.25 -0.18 0.00 -1.00 0.00 0.00 59.36 57.99 2ja3 h GLU 609 Cb 0.58 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2ja3 h GLU 609 CO 0.04 0.86 -0.81 0.00 -1.00 0.00 0.00 179.01 178.10 2ja3 h THR 610 N 0.74 1.49 -0.45 1.13 1.03 -1.22 -2.96 112.91 112.67 2ja3 h THR 610 Ca 0.13 -2.52 -0.06 0.00 -0.01 0.00 0.00 66.41 63.95 2ja3 h THR 610 Cb 0.55 2.38 -0.02 0.00 -1.07 0.00 0.00 68.15 69.99 2ja3 h THR 610 CO 0.03 0.73 0.04 0.40 -0.01 0.00 0.00 175.52 176.72 2ja3 h ILE 611 N 0.09 1.25 -0.58 0.00 2.04 -1.34 -2.82 117.51 116.15 2ja3 h ILE 611 Ca -0.03 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 2ja3 h ILE 611 Cb 1.41 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 2ja3 h ILE 611 CO 0.12 0.33 0.34 0.40 0.00 0.00 0.00 178.15 179.34 2ja3 h ILE 612 N 0.62 1.18 -0.00 -0.67 2.04 -1.35 -2.74 117.51 116.59 2ja3 h ILE 612 Ca 0.13 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.56 2ja3 h ILE 612 Cb 0.43 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2ja3 h ILE 612 CO 0.01 0.19 -0.20 -1.54 0.00 0.00 0.00 178.15 176.62 2ja3 n SER 613 N -4.61 0.30 -0.45 1.72 3.41 -1.12 -3.62 113.62 109.25 2ja3 n SER 613 Ca 0.04 -0.05 0.09 0.00 -0.26 0.00 0.00 58.87 58.68 2ja3 n SER 613 Cb 0.07 -0.13 0.01 0.00 -0.26 0.00 0.00 64.21 63.91 2ja3 n SER 613 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2ja3 n GLU 614 N -1.35 1.59 -4.41 4.33 -0.58 -1.06 -4.99 120.64 114.17 2ja3 n GLU 614 Ca 0.09 -0.97 -0.20 0.00 -0.42 0.00 0.00 57.16 55.65 2ja3 n GLU 614 Cb 0.32 -1.32 -0.10 0.00 -0.57 0.00 0.00 31.44 29.77 2ja3 n GLU 614 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2ja3 s THR 615 N -1.91 1.37 -0.04 2.62 -4.23 -1.05 -5.06 115.64 107.34 2ja3 s THR 615 Ca 0.15 -2.07 0.06 0.00 -1.18 0.00 0.00 61.69 58.66 2ja3 s THR 615 Cb 0.14 -2.50 0.10 0.00 1.34 0.00 0.00 72.50 71.57 2ja3 s THR 615 CO 0.40 -0.24 0.98 0.35 -0.54 0.00 0.00 174.62 175.57 2ja3 n THR 616 N -0.56 1.06 -2.11 3.99 -2.24 -1.26 -4.91 114.28 108.26 2ja3 n THR 616 Ca -0.05 -1.19 -0.37 0.00 -2.27 0.00 0.00 64.05 60.17 2ja3 n THR 616 Cb 0.64 0.32 0.01 0.00 -2.10 0.00 0.00 70.33 69.20 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 -1.39 2.63 0.17 4.78 4.12 -1.26 -4.96 117.35 121.44 2ja3 s TYR 617 Ca 0.11 1.50 -0.10 0.00 0.02 0.00 0.00 57.07 58.60 2ja3 s TYR 617 Cb 0.09 -3.48 0.04 0.00 -1.52 0.00 0.00 41.96 37.09 2ja3 s TYR 617 CO 0.01 -1.96 1.61 0.77 0.02 0.00 0.00 175.55 176.00 2ja3 h SER 618 N 1.60 1.05 -5.16 2.29 0.02 -1.97 -3.43 113.55 107.94 2ja3 h SER 618 Ca -0.50 -0.34 -0.08 0.00 -0.84 0.00 0.00 61.79 60.04 2ja3 h SER 618 Cb 1.27 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.49 2ja3 h SER 618 CO 0.58 1.14 0.10 -0.83 -1.14 0.00 0.00 176.83 176.68 2ja3 s GLY 619 N -3.62 0.61 -0.02 -3.77 0.00 -1.26 -0.18 107.32 99.08 2ja3 s GLY 619 Ca -0.12 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.73 2ja3 s GLY 619 CO 0.86 -0.49 -0.07 -1.36 0.00 0.00 0.00 173.10 172.04 2ja3 s PHE 620 N -2.96 0.74 0.51 1.90 0.40 0.42 -4.90 117.98 114.10 2ja3 s PHE 620 Ca 0.19 -0.16 -0.21 0.00 -0.60 0.00 0.00 56.93 56.15 2ja3 s PHE 620 Cb -0.03 -0.53 -0.06 0.00 0.51 0.00 0.00 43.02 42.90 2ja3 s PHE 620 CO 0.13 -0.07 1.16 -2.14 0.70 0.00 0.00 175.22 175.01 2ja3 s PRO 621 N 0.12 3.51 -0.09 0.24 0.02 -1.26 -0.73 135.00 136.82 2ja3 s PRO 621 Ca -0.01 1.74 0.04 0.00 0.02 0.00 0.00 61.00 62.78 2ja3 s PRO 621 Cb -0.06 -2.21 -0.01 0.00 0.02 0.00 0.00 34.50 32.24 2ja3 s PRO 621 CO -0.00 -0.75 -0.22 0.54 -0.33 0.00 0.00 177.00 176.24 2ja3 s VAL 622 N -1.62 2.31 0.34 3.83 0.11 0.73 -1.04 120.40 125.06 2ja3 s VAL 622 Ca 0.69 -0.95 0.08 0.00 -2.93 0.00 0.00 61.98 58.87 2ja3 s VAL 622 Cb -0.27 -1.89 -0.05 0.00 -1.53 0.00 0.00 36.38 32.64 2ja3 s VAL 622 CO 0.32 0.56 0.10 0.68 -3.33 0.00 0.00 175.10 173.43 2ja3 s VAL 623 N 0.09 2.85 0.10 2.04 -7.23 -0.26 -1.10 120.40 116.89 2ja3 s VAL 623 Ca -0.10 -1.79 -0.19 0.00 -1.81 0.00 0.00 61.98 58.09 2ja3 s VAL 623 Cb -0.16 -2.92 -0.07 0.00 0.56 0.00 0.00 36.38 33.80 2ja3 s VAL 623 CO 0.06 -0.18 1.61 0.58 -0.31 0.00 0.00 175.10 176.86 2ja3 h VAL 624 N 1.63 1.20 -3.01 1.32 2.07 -1.35 -1.73 116.25 116.37 2ja3 h VAL 624 Ca -0.43 -0.63 0.05 0.00 0.82 0.00 0.00 66.70 66.52 2ja3 h VAL 624 Cb 1.25 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 2ja3 h VAL 624 CO 0.65 0.20 0.23 -0.94 0.02 0.00 0.00 177.57 177.74 2ja3 s SER 625 N -5.75 -0.22 0.25 0.57 1.04 -1.26 -4.20 113.70 104.14 2ja3 s SER 625 Ca -0.14 -0.70 0.12 0.00 0.48 0.00 0.00 55.95 55.72 2ja3 s SER 625 Cb 0.08 0.75 0.20 0.00 0.10 0.00 0.00 66.02 67.15 2ja3 s SER 625 CO 0.73 -1.40 1.51 0.03 0.98 0.00 0.00 173.24 175.08 2ja3 h ARG 626 N 2.00 0.00 -0.32 4.02 3.08 -1.97 -2.49 114.38 118.71 2ja3 h ARG 626 Ca -0.21 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.71 2ja3 h ARG 626 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 2ja3 h ARG 626 CO 0.26 0.67 -0.29 1.49 -1.07 0.00 0.00 179.97 181.02 2ja3 h GLU 627 N 0.00 0.76 0.09 0.04 4.81 -2.02 -3.32 114.58 114.93 2ja3 h GLU 627 Ca -0.01 -0.39 -0.28 0.00 -0.13 0.00 0.00 59.36 58.55 2ja3 h GLU 627 Cb 1.31 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2ja3 h GLU 627 CO 0.09 1.01 -1.42 0.66 -0.73 0.00 0.00 179.01 178.62 2ja3 h SER 628 N 0.52 0.29 -2.01 1.04 4.64 -1.97 -3.48 113.55 112.58 2ja3 h SER 628 Ca 0.05 -0.38 -0.37 0.00 -0.47 0.00 0.00 61.79 60.63 2ja3 h SER 628 Cb 0.87 -0.09 -0.09 0.00 -0.31 0.00 0.00 62.40 62.77 2ja3 h SER 628 CO 0.07 1.31 -0.39 0.00 -0.87 0.00 0.00 176.83 176.96 2ja3 n GLN 629 N -3.40 -1.59 -2.80 4.77 1.13 -0.94 -4.76 117.38 109.79 2ja3 n GLN 629 Ca -0.13 0.99 -0.41 0.00 -1.94 0.00 0.00 57.00 55.51 2ja3 n GLN 629 Cb 1.02 -5.45 -0.04 0.00 0.11 0.00 0.00 30.24 25.89 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 -4.14 4.57 0.09 -1.09 0.52 -1.26 -0.47 118.95 117.16 2ja3 s ARG 630 Ca 0.00 1.30 -0.30 0.00 -0.52 0.00 0.00 55.73 56.21 2ja3 s ARG 630 Cb 0.00 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.99 2ja3 s ARG 630 CO 0.00 0.07 0.99 -1.17 0.02 0.00 0.00 175.30 175.21 2ja3 s LEU 631 N 0.60 4.46 -0.09 2.53 0.20 -1.26 -0.91 118.68 124.22 2ja3 s LEU 631 Ca 0.47 1.80 0.05 0.00 0.69 0.00 0.00 54.13 57.14 2ja3 s LEU 631 Cb -0.21 -3.58 -0.09 0.00 -0.43 0.00 0.00 46.19 41.88 2ja3 s LEU 631 CO 0.26 -0.15 -0.01 0.52 -0.29 0.00 0.00 176.35 176.68 2ja3 n VAL 632 N 3.09 0.57 -2.61 1.68 0.31 -0.25 -4.87 118.33 116.25 2ja3 n VAL 632 Ca 0.04 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2ja3 n VAL 632 Cb 0.49 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 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 2.66 -1.63 2.97 2.92 0.00 -1.11 -4.66 105.19 106.34 2ja3 n GLY 633 Ca -0.15 -1.13 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.71 1.01 -0.04 1.61 5.36 -1.00 -0.20 117.98 122.01 2ja3 s PHE 634 Ca 0.00 -0.30 0.05 0.00 -0.96 0.00 0.00 56.93 55.72 2ja3 s PHE 634 Cb 0.00 -0.77 -0.00 0.00 -0.34 0.00 0.00 43.02 41.91 2ja3 s PHE 634 CO 0.00 -0.17 -0.18 0.54 -1.46 0.00 0.00 175.22 173.95 2ja3 s VAL 635 N 0.53 1.49 0.42 3.12 0.11 0.09 -1.94 120.40 124.24 2ja3 s VAL 635 Ca -0.09 -0.76 -0.22 0.00 -2.93 0.00 0.00 61.98 57.99 2ja3 s VAL 635 Cb -0.12 -1.28 -0.10 0.00 -1.53 0.00 0.00 36.38 33.34 2ja3 s VAL 635 CO 0.01 0.43 0.97 -0.76 -3.33 0.00 0.00 175.10 172.42 2ja3 s LEU 636 N -0.01 3.99 0.07 2.54 1.43 -1.26 -0.44 118.68 125.00 2ja3 s LEU 636 Ca -0.03 1.76 -0.19 0.00 -1.03 0.00 0.00 54.13 54.63 2ja3 s LEU 636 Cb -0.11 -4.45 -0.11 0.00 0.03 0.00 0.00 46.19 41.55 2ja3 s LEU 636 CO 0.02 -0.38 1.47 -0.09 0.23 0.00 0.00 176.35 177.60 2ja3 h ARG 637 N 2.06 0.39 -0.50 1.70 2.43 -0.84 -2.75 114.38 116.87 2ja3 h ARG 637 Ca -0.49 -0.14 0.08 0.00 -0.81 0.00 0.00 59.98 58.62 2ja3 h ARG 637 Cb 1.19 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 2ja3 h ARG 637 CO 0.61 0.62 0.34 0.07 -1.51 0.00 0.00 179.97 180.10 2ja3 h ARG 638 N 0.12 0.34 -0.07 0.20 0.11 -1.92 -1.63 114.38 111.52 2ja3 h ARG 638 Ca 0.05 -0.02 -0.18 0.00 0.10 0.00 0.00 59.98 59.93 2ja3 h ARG 638 Cb 0.47 -0.08 0.01 0.00 1.11 0.00 0.00 29.97 31.49 2ja3 h ARG 638 CO 0.02 0.22 -0.67 -0.44 0.10 0.00 0.00 179.97 179.20 2ja3 h ASP 639 N 0.35 0.71 -0.09 0.08 3.32 -1.92 -2.92 116.42 115.94 2ja3 h ASP 639 Ca 0.23 -0.68 0.03 0.00 0.02 0.00 0.00 57.03 56.62 2ja3 h ASP 639 Cb 0.44 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 2ja3 h ASP 639 CO -0.05 1.29 -0.13 -0.07 -1.72 0.00 0.00 179.24 178.56 2ja3 h LEU 640 N 0.19 -0.39 -0.45 1.55 3.38 -1.15 0.59 115.31 119.04 2ja3 h LEU 640 Ca -0.06 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2ja3 h LEU 640 Cb 1.33 0.18 -0.09 0.00 0.09 0.00 0.00 40.66 42.17 2ja3 h LEU 640 CO 0.14 -0.17 -0.49 0.40 0.09 0.00 0.00 178.44 178.40 2ja3 h ILE 641 N -0.17 0.05 0.06 1.22 2.04 -1.35 -1.66 117.51 117.70 2ja3 h ILE 641 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 2ja3 h ILE 641 Cb 0.28 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.41 2ja3 h ILE 641 CO -0.19 0.00 -0.03 0.40 0.00 0.00 0.00 178.15 178.33 2ja3 h ILE 642 N -0.34 1.00 -0.90 -0.67 2.04 -1.29 -1.91 117.51 115.44 2ja3 h ILE 642 Ca 0.12 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.82 2ja3 h ILE 642 Cb 0.59 1.11 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 2ja3 h ILE 642 CO -0.61 0.04 0.60 0.28 0.00 0.00 0.00 178.15 178.46 2ja3 h SER 643 N -0.16 1.02 0.65 1.72 0.02 -0.70 -0.86 113.55 115.23 2ja3 h SER 643 Ca -0.01 -0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.73 2ja3 h SER 643 Cb 0.13 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2ja3 h SER 643 CO 0.01 0.73 -0.86 0.40 -1.14 0.00 0.00 176.83 175.98 2ja3 h ILE 644 N 1.20 1.52 -0.27 3.27 2.04 -1.28 -2.89 117.51 121.10 2ja3 h ILE 644 Ca 0.34 -2.66 -0.16 0.00 1.00 0.00 0.00 64.86 63.38 2ja3 h ILE 644 Cb -0.11 2.47 -0.00 0.00 -0.74 0.00 0.00 36.82 38.44 2ja3 h ILE 644 CO -0.08 0.77 -0.49 -0.08 0.00 0.00 0.00 178.15 178.27 2ja3 h GLU 645 N 0.08 0.74 0.00 2.37 4.81 -0.92 -2.90 114.58 118.75 2ja3 h GLU 645 Ca -0.03 -0.43 -0.08 0.00 -0.13 0.00 0.00 59.36 58.69 2ja3 h GLU 645 Cb 1.48 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.89 2ja3 h GLU 645 CO 0.13 1.05 -0.36 -0.91 -0.73 0.00 0.00 179.01 178.19 2ja3 h ASN 646 N 0.58 0.00 0.84 1.04 -0.26 -1.15 -3.29 115.58 113.34 2ja3 h ASN 646 Ca 0.03 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.57 2ja3 h ASN 646 Cb 1.05 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.28 2ja3 h ASN 646 CO 0.10 0.36 -1.26 0.00 -1.06 0.00 0.00 177.43 175.57 2ja3 h ALA 647 N 1.64 0.64 0.00 -0.83 0.00 -1.42 -3.29 119.26 116.00 2ja3 h ALA 647 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2ja3 h ALA 647 Cb 0.77 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2ja3 h ALA 647 CO 0.05 1.09 0.00 0.00 0.00 0.00 0.00 179.25 180.38 2ja3 h ARG 648 N 0.00 0.00 0.00 0.00 3.08 -1.58 -2.82 114.38 113.06 2ja3 h ARG 648 Ca -0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2ja3 h ARG 648 Cb 1.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.74 2ja3 h ARG 648 CO 0.07 0.00 -0.33 0.87 -1.07 0.00 0.00 179.97 179.51 2ja3 h LYS 649 N 0.00 0.00 -0.43 0.04 1.57 -1.66 -3.39 116.57 112.70 2ja3 h LYS 649 Ca 0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2ja3 h LYS 649 Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2ja3 h LYS 649 CO 0.00 0.00 -0.08 0.87 -0.57 0.00 0.00 179.45 179.67 2ja3 h LYS 650 N 0.00 0.81 -6.99 3.15 1.79 -1.60 -3.47 116.57 110.27 2ja3 h LYS 650 Ca 0.00 -0.30 -0.46 0.00 -2.18 0.00 0.00 60.65 57.71 2ja3 h LYS 650 Cb 0.82 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.37 2ja3 h LYS 650 CO 0.00 0.92 -0.76 0.94 -1.08 0.00 0.00 179.45 179.47 2ja3 n GLN 651 N -4.32 -0.51 -2.57 3.15 -0.06 -1.26 -5.00 117.38 106.81 2ja3 n GLN 651 Ca -0.01 -0.06 -0.40 0.00 -2.00 0.00 0.00 57.00 54.53 2ja3 n GLN 651 Cb 0.36 -1.83 -0.05 0.00 -4.06 0.00 0.00 30.24 24.65 2ja3 n GLN 651 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 2ja3 s ASP 652 N -3.92 7.39 -0.10 1.69 1.47 -1.26 -5.02 116.67 116.92 2ja3 s ASP 652 Ca 0.30 2.16 -0.04 0.00 1.18 0.00 0.00 52.55 56.15 2ja3 s ASP 652 Cb -0.17 -2.62 -0.13 0.00 -0.34 0.00 0.00 42.92 39.66 2ja3 s ASP 652 CO 0.74 -0.04 3.06 0.61 0.68 0.00 0.00 175.17 180.22 2ja3 n GLY 653 N 1.27 3.20 3.68 2.12 0.00 -1.26 -4.87 105.19 109.33 2ja3 n GLY 653 Ca -0.01 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 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 0.04 4.11 0.47 1.61 1.01 -1.26 -4.56 120.40 121.82 2ja3 s VAL 654 Ca 0.50 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.94 2ja3 s VAL 654 Cb 0.26 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.70 2ja3 s VAL 654 CO -0.04 -0.03 0.03 0.68 0.00 0.00 0.00 175.10 175.75 2ja3 s VAL 655 N 2.55 1.12 0.28 2.92 -7.23 -1.26 -4.77 120.40 114.00 2ja3 s VAL 655 Ca 0.58 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.77 2ja3 s VAL 655 Cb -0.26 -2.31 0.27 0.00 0.56 0.00 0.00 36.38 34.63 2ja3 s VAL 655 CO 0.22 0.00 1.75 0.28 -0.31 0.00 0.00 175.10 177.04 2ja3 h SER 656 N 1.52 0.56 -0.17 4.85 0.02 -1.94 -1.56 113.55 116.84 2ja3 h SER 656 Ca -0.42 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2ja3 h SER 656 Cb 1.30 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.85 2ja3 h SER 656 CO 0.71 0.19 0.00 0.35 -1.14 0.00 0.00 176.83 176.94 2ja3 n THR 657 N -4.88 0.21 -2.34 -2.27 -2.24 -1.26 -1.53 114.28 99.98 2ja3 n THR 657 Ca 0.20 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 2ja3 n THR 657 Cb 0.51 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.93 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 -1.44 7.06 -0.07 3.42 0.01 -0.59 -4.82 113.70 117.27 2ja3 s SER 658 Ca 0.29 2.33 -0.27 0.00 1.31 0.00 0.00 55.95 59.60 2ja3 s SER 658 Cb 0.15 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.74 2ja3 s SER 658 CO 0.23 -0.36 0.87 -0.63 0.41 0.00 0.00 173.24 173.75 2ja3 s ILE 659 N -0.43 4.92 0.07 1.44 -1.09 -1.26 -0.37 121.20 124.47 2ja3 s ILE 659 Ca 0.51 1.78 -0.21 0.00 -2.23 0.00 0.00 60.65 60.51 2ja3 s ILE 659 Cb -0.34 -4.20 -0.07 0.00 -1.58 0.00 0.00 42.46 36.28 2ja3 s ILE 659 CO 0.40 0.14 0.61 -0.63 -1.23 0.00 0.00 174.94 174.23 2ja3 s ILE 660 N 1.30 4.72 0.01 2.92 1.01 0.76 -1.78 121.20 130.14 2ja3 s ILE 660 Ca 0.44 1.31 -0.01 0.00 0.00 0.00 0.00 60.65 62.40 2ja3 s ILE 660 Cb -0.19 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 2ja3 s ILE 660 CO 0.21 0.52 -0.00 -0.72 0.00 0.00 0.00 174.94 174.94 2ja3 s TYR 661 N -0.89 0.15 -0.85 3.97 -0.85 -0.49 -4.14 117.35 114.25 2ja3 s TYR 661 Ca 0.31 -0.30 0.08 0.00 -0.52 0.00 0.00 57.07 56.63 2ja3 s TYR 661 Cb -0.20 -0.11 0.11 0.00 0.38 0.00 0.00 41.96 42.14 2ja3 s TYR 661 CO 0.20 -0.13 0.89 1.19 -1.52 0.00 0.00 175.55 176.18 2ja3 n PHE 662 N 2.12 0.11 -2.00 -3.49 3.01 -0.46 -1.35 117.46 115.39 2ja3 n PHE 662 Ca -0.20 -0.17 -0.29 0.00 1.01 0.00 0.00 57.45 57.80 2ja3 n PHE 662 Cb 0.57 -0.01 0.13 0.00 -0.01 0.00 0.00 39.48 40.16 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 -0.77 2.04 0.16 4.37 -4.23 -1.26 -4.61 115.64 111.35 2ja3 s THR 663 Ca 0.11 -0.08 -0.10 0.00 -1.18 0.00 0.00 61.69 60.44 2ja3 s THR 663 Cb 0.07 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.95 2ja3 s THR 663 CO 0.10 0.00 1.55 -0.33 -0.54 0.00 0.00 174.62 175.40 2ja3 h GLU 664 N -1.23 1.00 -6.63 3.99 5.08 -1.98 -3.45 114.58 111.36 2ja3 h GLU 664 Ca -0.44 -0.43 -0.65 0.00 -1.00 0.00 0.00 59.36 56.83 2ja3 h GLU 664 Cb 1.28 -0.03 -0.20 0.00 0.50 0.00 0.00 28.75 30.30 2ja3 h GLU 664 CO 0.51 1.11 -0.83 -1.01 -1.00 0.00 0.00 179.01 177.78 2ja3 s HIS 665 N -4.67 2.26 0.45 4.33 3.76 -1.26 -5.12 115.29 115.03 2ja3 s HIS 665 Ca -0.11 -0.37 -0.24 0.00 -0.15 0.00 0.00 55.06 54.18 2ja3 s HIS 665 Cb 0.12 -1.15 -0.08 0.00 1.11 0.00 0.00 32.58 32.59 2ja3 s HIS 665 CO 0.87 0.44 1.27 0.45 -0.85 0.00 0.00 174.74 176.93 2ja3 s SER 666 N -2.49 6.09 0.47 1.40 0.15 -1.26 -4.99 113.70 113.07 2ja3 s SER 666 Ca 0.18 2.57 -0.21 0.00 0.70 0.00 0.00 55.95 59.19 2ja3 s SER 666 Cb -0.08 -2.63 -0.08 0.00 -1.71 0.00 0.00 66.02 61.52 2ja3 s SER 666 CO 0.08 -0.99 1.07 -2.16 1.20 0.00 0.00 173.24 172.44 2ja3 s PRO 667 N -2.48 3.83 0.08 5.44 0.04 -1.26 -4.99 135.00 135.66 2ja3 s PRO 667 Ca 0.61 1.47 -0.33 0.00 0.04 0.00 0.00 61.00 62.79 2ja3 s PRO 667 Cb -0.36 -2.22 -0.12 0.00 0.04 0.00 0.00 34.50 31.83 2ja3 s PRO 667 CO 0.45 -0.42 1.73 -0.35 0.04 0.00 0.00 177.00 178.44 2ja3 n PRO 668 N -0.74 2.34 -4.20 0.56 -0.04 -1.26 -5.00 135.00 126.66 2ja3 n PRO 668 Ca 0.08 0.85 -0.14 0.00 -0.04 0.00 0.00 63.50 64.25 2ja3 n PRO 668 Cb 0.51 -2.67 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 2ja3 n PRO 668 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ja3 s LEU 669 N 2.26 2.46 0.81 1.53 1.02 -1.26 -5.15 118.68 120.34 2ja3 s LEU 669 Ca 0.83 -0.90 -0.14 0.00 0.02 0.00 0.00 54.13 53.95 2ja3 s LEU 669 Cb -0.63 -0.30 0.05 0.00 0.02 0.00 0.00 46.19 45.33 2ja3 s LEU 669 CO 0.41 -0.30 0.97 -2.65 0.02 0.00 0.00 176.35 174.80 2ja3 n PRO 670 N 0.26 0.16 -1.82 1.29 -0.02 -1.26 -4.95 135.00 128.66 2ja3 n PRO 670 Ca -0.14 0.12 -0.36 0.00 -2.02 0.00 0.00 63.50 61.10 2ja3 n PRO 670 Cb 0.59 -2.24 0.06 0.00 -0.02 0.00 0.00 33.50 31.88 2ja3 n PRO 670 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2ja3 s PRO 671 N -3.77 2.68 -1.42 0.52 0.02 -1.26 -3.72 135.00 128.05 2ja3 s PRO 671 Ca 0.70 1.91 -0.06 0.00 0.02 0.00 0.00 61.00 63.56 2ja3 s PRO 671 Cb -0.29 -1.88 0.03 0.00 0.02 0.00 0.00 34.50 32.38 2ja3 s PRO 671 CO 0.54 -1.46 0.52 0.66 -0.33 0.00 0.00 177.00 176.94 2ja3 n TYR 672 N -1.89 -1.86 -3.20 6.54 4.01 -1.26 -4.99 117.16 114.51 2ja3 n TYR 672 Ca 0.14 0.47 -0.23 0.00 -0.16 0.00 0.00 57.90 58.12 2ja3 n TYR 672 Cb 0.49 -3.74 -0.00 0.00 -0.31 0.00 0.00 39.34 35.78 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 -3.04 4.53 0.62 -0.72 -4.23 -1.24 -5.08 115.64 106.47 2ja3 s THR 673 Ca 0.33 -0.51 -0.18 0.00 -1.18 0.00 0.00 61.69 60.14 2ja3 s THR 673 Cb -0.16 -3.66 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 2ja3 s THR 673 CO 0.40 -0.43 1.24 -2.16 -0.54 0.00 0.00 174.62 173.14 2ja3 s PRO 674 N -4.42 2.80 0.52 3.99 0.04 -1.26 -4.96 135.00 131.71 2ja3 s PRO 674 Ca 0.44 1.92 -0.21 0.00 0.04 0.00 0.00 61.00 63.19 2ja3 s PRO 674 Cb -0.10 -1.89 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 2ja3 s PRO 674 CO 0.37 -1.37 1.05 -0.35 0.04 0.00 0.00 177.00 176.74 2ja3 n PRO 675 N -1.73 1.24 -2.52 0.56 -0.04 -1.26 -4.74 135.00 126.51 2ja3 n PRO 675 Ca 0.15 0.46 -0.25 0.00 -0.04 0.00 0.00 63.50 63.81 2ja3 n PRO 675 Cb 0.49 -2.19 0.03 0.00 -0.04 0.00 0.00 33.50 31.79 2ja3 n PRO 675 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2ja3 s THR 676 N -1.39 3.39 -0.12 0.52 -4.23 -1.26 -4.50 115.64 108.05 2ja3 s THR 676 Ca 0.70 -0.22 0.03 0.00 -1.18 0.00 0.00 61.69 61.01 2ja3 s THR 676 Cb -0.47 -3.33 0.01 0.00 1.34 0.00 0.00 72.50 70.05 2ja3 s THR 676 CO 0.52 -0.31 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.85 2ja3 s LEU 677 N -4.91 2.05 -0.31 4.79 0.20 -0.73 -4.97 118.68 114.79 2ja3 s LEU 677 Ca 0.54 -0.56 -0.12 0.00 0.69 0.00 0.00 54.13 54.68 2ja3 s LEU 677 Cb -0.10 -1.38 -0.03 0.00 -0.43 0.00 0.00 46.19 44.25 2ja3 s LEU 677 CO 0.43 0.10 0.21 -0.75 -0.29 0.00 0.00 176.35 176.05 2ja3 s LYS 678 N 0.68 3.72 -0.26 1.98 2.20 -1.26 -1.40 119.74 125.41 2ja3 s LYS 678 Ca -0.11 -0.48 0.10 0.00 -0.36 0.00 0.00 55.97 55.12 2ja3 s LYS 678 Cb -0.16 -3.73 0.47 0.00 -1.51 0.00 0.00 37.83 32.90 2ja3 s LYS 678 CO 0.02 -0.31 1.38 1.28 -0.36 0.00 0.00 175.35 177.35 2ja3 n LEU 679 N 5.08 3.63 0.10 5.43 4.77 -0.46 -4.75 117.00 130.80 2ja3 n LEU 679 Ca -0.13 -3.74 -0.02 0.00 -0.03 0.00 0.00 56.01 52.08 2ja3 n LEU 679 Cb 0.51 -0.59 0.21 0.00 -2.33 0.00 0.00 43.42 41.22 2ja3 n LEU 679 CO 0.35 1.25 0.62 -0.09 -1.33 0.00 0.00 177.39 178.19 2ja3 h ARG 680 N 1.00 0.23 0.00 3.23 2.43 -1.82 -3.11 114.38 116.34 2ja3 h ARG 680 Ca 0.14 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2ja3 h ARG 680 Cb 1.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 2ja3 h ARG 680 CO 0.25 0.63 0.00 0.27 -1.51 0.00 0.00 179.97 179.61 2ja3 n ASN 681 N -4.01 0.00 -0.18 -3.80 0.23 -1.26 -1.81 115.26 104.43 2ja3 n ASN 681 Ca -0.02 -0.43 0.06 0.00 -0.53 0.00 0.00 54.58 53.67 2ja3 n ASN 681 Cb 0.49 -0.07 0.11 0.00 -2.08 0.00 0.00 39.78 38.24 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 -1.07 1.59 -4.13 1.53 -5.35 -1.17 -5.02 119.36 105.75 2ja3 n ILE 682 Ca 0.12 -1.74 -0.34 0.00 -0.27 0.00 0.00 62.75 60.52 2ja3 n ILE 682 Cb 0.08 0.04 -0.10 0.00 -1.74 0.00 0.00 39.64 37.92 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 -2.15 3.70 -0.59 7.28 2.96 -0.75 -4.52 118.68 124.61 2ja3 s LEU 683 Ca 0.22 0.07 -0.25 0.00 -0.22 0.00 0.00 54.13 53.95 2ja3 s LEU 683 Cb 0.19 -1.91 0.04 0.00 0.50 0.00 0.00 46.19 45.00 2ja3 s LEU 683 CO 0.04 0.21 1.06 -0.62 -1.32 0.00 0.00 176.35 175.72 2ja3 s ASP 684 N 0.12 6.33 -0.07 3.68 2.15 -0.82 -4.91 116.67 123.16 2ja3 s ASP 684 Ca 0.04 -0.29 0.06 0.00 0.43 0.00 0.00 52.55 52.78 2ja3 s ASP 684 Cb -0.13 -2.48 0.28 0.00 -0.30 0.00 0.00 42.92 40.30 2ja3 s ASP 684 CO 0.01 -1.39 1.00 0.18 -0.17 0.00 0.00 175.17 174.80 2ja3 n LEU 685 N 7.99 2.46 -3.09 -1.34 4.77 -1.26 -2.38 117.00 124.15 2ja3 n LEU 685 Ca 0.03 -1.24 -0.17 0.00 -0.03 0.00 0.00 56.01 54.60 2ja3 n LEU 685 Cb 0.48 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 2ja3 n LEU 685 CO 0.67 0.38 -0.13 -1.20 -1.33 0.00 0.00 177.39 175.78 2ja3 n SER 686 N 0.24 -0.04 -4.84 -1.43 7.64 -1.26 -4.93 113.62 109.00 2ja3 n SER 686 Ca 0.10 -3.07 -0.32 0.00 1.01 0.00 0.00 58.87 56.59 2ja3 n SER 686 Cb 0.52 -0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.64 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 -1.55 3.70 0.03 1.43 0.04 -1.26 -5.02 135.00 132.37 2ja3 s PRO 687 Ca 0.36 0.98 -0.22 0.00 0.04 0.00 0.00 61.00 62.15 2ja3 s PRO 687 Cb 0.30 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 2ja3 s PRO 687 CO -0.09 -0.48 0.66 -0.06 0.04 0.00 0.00 177.00 177.07 2ja3 s PHE 688 N -2.69 3.72 0.04 0.56 0.40 -1.26 -5.02 117.98 113.73 2ja3 s PHE 688 Ca 0.59 1.32 0.04 0.00 -0.60 0.00 0.00 56.93 58.29 2ja3 s PHE 688 Cb -0.12 -2.69 -0.02 0.00 0.51 0.00 0.00 43.02 40.70 2ja3 s PHE 688 CO 0.37 0.34 -0.12 -0.08 0.70 0.00 0.00 175.22 176.44 2ja3 s THR 689 N -0.24 0.90 -0.02 0.64 -1.32 -1.26 -2.12 115.64 112.21 2ja3 s THR 689 Ca 0.34 -0.99 -0.05 0.00 -1.21 0.00 0.00 61.69 59.78 2ja3 s THR 689 Cb -0.19 -0.85 0.01 0.00 -1.51 0.00 0.00 72.50 69.95 2ja3 s THR 689 CO 0.20 -0.12 0.11 0.54 -2.21 0.00 0.00 174.62 173.14 2ja3 s VAL 690 N -0.97 0.03 0.66 5.08 0.11 -0.56 -4.98 120.40 119.77 2ja3 s VAL 690 Ca -0.02 -0.28 -0.11 0.00 -2.93 0.00 0.00 61.98 58.63 2ja3 s VAL 690 Cb -0.08 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.50 2ja3 s VAL 690 CO 0.01 -0.16 1.05 0.42 -3.33 0.00 0.00 175.10 173.09 2ja3 s THR 691 N -0.49 4.21 -0.77 5.04 -4.23 -1.26 -2.58 115.64 115.57 2ja3 s THR 691 Ca -0.06 0.76 0.16 0.00 -1.18 0.00 0.00 61.69 61.37 2ja3 s THR 691 Cb -0.04 -3.54 0.15 0.00 1.34 0.00 0.00 72.50 70.42 2ja3 s THR 691 CO 0.00 -0.90 1.50 -0.90 -0.54 0.00 0.00 174.62 173.79 2ja3 n ASP 692 N -2.87 0.26 -0.76 3.99 3.85 -0.55 -1.89 116.55 118.59 2ja3 n ASP 692 Ca 0.07 0.57 0.13 0.00 -0.71 0.00 0.00 54.79 54.85 2ja3 n ASP 692 Cb 0.54 -0.63 0.29 0.00 -1.35 0.00 0.00 41.12 39.97 2ja3 n ASP 692 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2ja3 n LEU 693 N -1.80 2.36 -4.68 -2.12 4.77 -1.26 -2.52 117.00 111.74 2ja3 n LEU 693 Ca 0.02 -0.80 -0.42 0.00 -0.03 0.00 0.00 56.01 54.77 2ja3 n LEU 693 Cb 0.16 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2ja3 n LEU 693 CO 0.14 0.40 1.06 -0.89 -1.33 0.00 0.00 177.39 176.77 2ja3 s THR 694 N -1.97 3.98 0.45 -5.08 2.01 -0.79 -4.74 115.64 109.50 2ja3 s THR 694 Ca 0.33 1.32 -0.24 0.00 0.31 0.00 0.00 61.69 63.41 2ja3 s THR 694 Cb 0.20 -3.85 -0.09 0.00 0.01 0.00 0.00 72.50 68.77 2ja3 s THR 694 CO 0.31 -0.02 1.08 -2.65 -0.69 0.00 0.00 174.62 172.66 2ja3 n PRO 695 N 5.49 1.44 0.19 4.92 -0.02 -1.26 -0.19 135.00 145.57 2ja3 n PRO 695 Ca 0.12 0.52 0.04 0.00 -2.02 0.00 0.00 63.50 62.16 2ja3 n PRO 695 Cb 0.45 -2.17 0.36 0.00 -0.02 0.00 0.00 33.50 32.12 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 1.51 0.00 -0.51 -0.52 2.86 -1.53 -2.33 114.93 114.40 2ja3 h MET 696 Ca -0.46 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.24 2ja3 h MET 696 Cb 1.33 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.96 2ja3 h MET 696 CO 0.57 0.39 0.34 1.49 1.06 0.00 0.00 176.91 180.76 2ja3 h GLU 697 N 0.00 0.43 0.23 1.72 4.81 -1.91 0.34 114.58 120.20 2ja3 h GLU 697 Ca -0.00 -0.03 -0.33 0.00 -0.13 0.00 0.00 59.36 58.87 2ja3 h GLU 697 Cb 0.75 -0.10 0.03 0.00 0.63 0.00 0.00 28.75 30.07 2ja3 h GLU 697 CO 0.05 0.28 -1.50 0.82 -0.73 0.00 0.00 179.01 177.94 2ja3 h ILE 698 N 0.44 1.26 -0.41 2.32 2.04 -1.80 -3.13 117.51 118.22 2ja3 h ILE 698 Ca 0.22 -2.72 -0.01 0.00 1.00 0.00 0.00 64.86 63.35 2ja3 h ILE 698 Cb 0.32 2.99 -0.02 0.00 -0.74 0.00 0.00 36.82 39.38 2ja3 h ILE 698 CO -0.06 0.83 0.21 0.58 0.00 0.00 0.00 178.15 179.71 2ja3 h VAL 699 N 0.13 1.17 -0.74 1.67 2.07 -1.02 -1.50 116.25 118.03 2ja3 h VAL 699 Ca -0.26 -0.45 0.07 0.00 0.82 0.00 0.00 66.70 66.88 2ja3 h VAL 699 Cb 2.14 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 32.57 2ja3 h VAL 699 CO 0.25 0.18 0.49 0.58 0.02 0.00 0.00 177.57 179.09 2ja3 h VAL 700 N 0.53 1.01 -0.20 2.57 2.07 -1.05 -1.35 116.25 119.83 2ja3 h VAL 700 Ca 0.14 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2ja3 h VAL 700 Cb 0.09 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2ja3 h VAL 700 CO -0.02 0.14 0.00 -0.78 0.02 0.00 0.00 177.57 176.93 2ja3 h ASP 701 N 0.77 0.35 -0.54 0.57 3.58 -1.35 -2.21 116.42 117.58 2ja3 h ASP 701 Ca 0.32 -0.30 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2ja3 h ASP 701 Cb 0.28 -0.09 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 2ja3 h ASP 701 CO -0.11 0.57 0.30 0.40 -2.88 0.00 0.00 179.24 177.52 2ja3 h ILE 702 N 0.12 1.18 -0.88 2.25 2.04 -0.61 -1.21 117.51 120.40 2ja3 h ILE 702 Ca 0.06 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.49 2ja3 h ILE 702 Cb 0.38 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2ja3 h ILE 702 CO 0.01 0.19 0.58 -0.26 0.00 0.00 0.00 178.15 178.67 2ja3 h PHE 703 N 0.72 1.10 0.69 1.37 -1.00 -1.22 -0.56 116.94 118.04 2ja3 h PHE 703 Ca 0.19 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.96 2ja3 h PHE 703 Cb 0.03 -0.37 0.01 0.00 3.61 0.00 0.00 35.95 39.23 2ja3 h PHE 703 CO -0.02 0.68 -0.33 0.00 -1.61 0.00 0.00 178.31 177.03 2ja3 h ARG 704 N 1.17 -0.89 -0.36 1.51 3.08 -1.02 -1.22 114.38 116.65 2ja3 h ARG 704 Ca 0.33 0.06 -0.16 0.00 0.07 0.00 0.00 59.98 60.28 2ja3 h ARG 704 Cb -0.12 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2ja3 h ARG 704 CO -0.08 -0.57 -0.39 0.87 -1.07 0.00 0.00 179.97 178.74 2ja3 h LYS 705 N -1.07 0.87 0.00 0.04 1.57 -1.08 -3.08 116.57 113.82 2ja3 h LYS 705 Ca -0.09 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 2ja3 h LYS 705 Cb 0.74 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2ja3 h LYS 705 CO 0.16 1.10 -0.61 1.28 -0.57 0.00 0.00 179.45 180.81 2ja3 n LEU 706 N -4.05 0.60 -3.15 2.94 4.77 -0.23 -4.97 117.00 112.90 2ja3 n LEU 706 Ca -0.02 -0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.66 2ja3 n LEU 706 Cb 0.54 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.50 2ja3 n LEU 706 CO 0.48 0.14 0.20 0.61 -1.33 0.00 0.00 177.39 177.49 2ja3 n GLY 707 N 1.49 -0.36 3.76 -0.72 0.00 -0.48 -4.96 105.19 103.93 2ja3 n GLY 707 Ca 0.05 0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -6.46 3.72 -0.14 0.99 1.43 -1.12 -4.97 118.68 112.14 2ja3 s LEU 708 Ca 0.49 2.36 -0.21 0.00 -1.03 0.00 0.00 54.13 55.75 2ja3 s LEU 708 Cb -0.22 -4.55 -0.25 0.00 0.03 0.00 0.00 46.19 41.20 2ja3 s LEU 708 CO 0.61 -1.46 0.52 0.03 0.23 0.00 0.00 176.35 176.28 2ja3 h ARG 709 N 1.08 0.13 -4.71 1.70 2.47 -1.93 -3.45 114.38 109.67 2ja3 h ARG 709 Ca -0.50 -0.21 -0.39 0.00 -1.26 0.00 0.00 59.98 57.61 2ja3 h ARG 709 Cb 1.29 0.08 -0.13 0.00 -1.65 0.00 0.00 29.97 29.56 2ja3 h ARG 709 CO 0.56 1.10 -0.46 1.14 0.56 0.00 0.00 179.97 182.87 2ja3 s GLN 710 N -2.39 1.67 -0.17 0.04 0.00 -1.26 -1.92 119.66 115.63 2ja3 s GLN 710 Ca -0.22 -1.89 -0.11 0.00 -0.00 0.00 0.00 55.36 53.13 2ja3 s GLN 710 Cb 0.03 0.34 0.05 0.00 0.00 0.00 0.00 33.01 33.43 2ja3 s GLN 710 CO 0.70 -0.62 0.43 0.00 0.00 0.00 0.00 175.29 175.80 2ja3 s LEU 712 N 1.05 4.33 -0.10 0.00 1.43 -0.90 -0.68 118.68 123.81 2ja3 s LEU 712 Ca -0.07 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 2ja3 s LEU 712 Cb -0.07 -2.98 -0.01 0.00 0.03 0.00 0.00 46.19 43.16 2ja3 s LEU 712 CO -0.09 0.16 -0.20 -0.69 0.23 0.00 0.00 176.35 175.77 2ja3 s VAL 713 N -1.45 2.50 0.19 -1.59 1.01 -0.70 -1.50 120.40 118.87 2ja3 s VAL 713 Ca 0.34 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.53 2ja3 s VAL 713 Cb -0.13 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 2ja3 s VAL 713 CO 0.20 0.55 -0.19 0.42 0.00 0.00 0.00 175.10 176.08 2ja3 s THR 714 N 0.13 1.99 -0.31 3.92 -4.23 -1.06 -0.79 115.64 115.30 2ja3 s THR 714 Ca -0.10 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 58.38 2ja3 s THR 714 Cb -0.16 -1.99 0.08 0.00 1.34 0.00 0.00 72.50 71.77 2ja3 s THR 714 CO 0.06 -0.35 -0.00 -2.28 -0.54 0.00 0.00 174.62 171.51 2ja3 s HIS 715 N -2.23 3.37 -1.25 3.99 5.65 -0.64 -1.48 115.29 122.71 2ja3 s HIS 715 Ca 0.20 -2.62 -0.03 0.00 0.25 0.00 0.00 55.06 52.86 2ja3 s HIS 715 Cb -0.05 -2.44 0.00 0.00 -1.18 0.00 0.00 32.58 28.91 2ja3 s HIS 715 CO 0.08 -0.91 1.05 0.09 -0.65 0.00 0.00 174.74 174.41 2ja3 n ASN 716 N 4.38 -3.34 0.00 9.88 3.02 -1.26 -2.92 115.26 125.02 2ja3 n ASN 716 Ca -0.03 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 2ja3 n ASN 716 Cb 0.42 -5.07 0.00 0.00 -0.61 0.00 0.00 39.78 34.52 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 -1.41 0.72 3.14 7.41 0.00 -1.26 -5.03 105.19 108.77 2ja3 n GLY 717 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.28 2.90 0.13 1.61 0.52 -1.15 -4.59 118.95 118.09 2ja3 s ARG 718 Ca 0.00 -0.90 -0.35 0.00 -0.52 0.00 0.00 55.73 53.96 2ja3 s ARG 718 Cb 0.00 -2.70 -0.15 0.00 0.52 0.00 0.00 34.95 32.62 2ja3 s ARG 718 CO 0.00 -0.28 1.45 -0.11 0.02 0.00 0.00 175.30 176.37 2ja3 n LEU 719 N 4.61 2.40 0.00 2.53 7.94 0.38 -1.62 117.00 133.25 2ja3 n LEU 719 Ca -0.19 1.10 0.00 0.00 -1.11 0.00 0.00 56.01 55.81 2ja3 n LEU 719 Cb 0.49 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.12 2ja3 n LEU 719 CO 0.26 -0.67 -0.29 -0.11 -1.11 0.00 0.00 177.39 175.47 2ja3 n LEU 720 N 2.89 1.50 0.00 -1.96 0.00 0.03 -4.88 117.00 114.58 2ja3 n LEU 720 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.18 2ja3 n LEU 720 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.67 2ja3 n LEU 720 CO 0.63 0.22 0.00 0.61 0.00 0.00 0.00 177.39 178.85 2ja3 n GLY 721 N 2.61 2.65 3.26 -3.96 0.00 -0.78 -4.75 105.19 104.21 2ja3 n GLY 721 Ca 0.00 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.75 0.06 -0.05 -0.61 2.07 -0.50 -1.71 121.20 117.71 2ja3 s ILE 722 Ca 0.00 -0.49 -0.02 0.00 -1.41 0.00 0.00 60.65 58.74 2ja3 s ILE 722 Cb 0.00 -0.69 0.03 0.00 0.13 0.00 0.00 42.46 41.93 2ja3 s ILE 722 CO 0.00 -0.27 0.04 -0.63 -1.91 0.00 0.00 174.94 172.17 2ja3 s ILE 723 N -1.54 0.06 0.57 2.00 1.01 0.14 -1.34 121.20 122.10 2ja3 s ILE 723 Ca -0.12 0.31 0.06 0.00 0.00 0.00 0.00 60.65 60.90 2ja3 s ILE 723 Cb -0.04 -0.28 0.07 0.00 0.01 0.00 0.00 42.46 42.23 2ja3 s ILE 723 CO 0.03 0.20 0.79 0.42 0.00 0.00 0.00 174.94 176.38 2ja3 s THR 724 N 2.01 2.38 0.04 2.92 -4.23 -1.26 -0.52 115.64 116.99 2ja3 s THR 724 Ca 0.04 -0.88 -0.23 0.00 -1.18 0.00 0.00 61.69 59.44 2ja3 s THR 724 Cb -0.12 -2.50 -0.16 0.00 1.34 0.00 0.00 72.50 71.06 2ja3 s THR 724 CO -0.04 0.00 1.50 0.50 -0.54 0.00 0.00 174.62 176.05 2ja3 h LYS 725 N 0.11 0.08 -0.72 3.99 3.64 -1.69 -2.54 116.57 119.45 2ja3 h LYS 725 Ca -0.35 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.10 2ja3 h LYS 725 Cb 1.28 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.05 2ja3 h LYS 725 CO 0.43 0.32 0.47 -0.22 -2.27 0.00 0.00 179.45 178.17 2ja3 h LYS 726 N -0.16 0.62 -0.99 1.90 3.64 -1.96 0.19 116.57 119.80 2ja3 h LYS 726 Ca 0.02 -0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.46 2ja3 h LYS 726 Cb 0.27 -0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 31.88 2ja3 h LYS 726 CO 0.00 0.41 0.62 -0.44 -2.27 0.00 0.00 179.45 177.77 2ja3 h ASP 727 N 0.63 0.94 0.17 4.20 3.32 -1.86 -2.09 116.42 121.73 2ja3 h ASP 727 Ca 0.33 0.04 -0.19 0.00 0.02 0.00 0.00 57.03 57.22 2ja3 h ASP 727 Cb 0.43 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 2ja3 h ASP 727 CO -0.11 0.53 -0.73 0.58 -1.72 0.00 0.00 179.24 177.79 2ja3 h VAL 728 N 1.03 1.36 -0.01 -1.35 2.07 -0.27 -2.98 116.25 116.10 2ja3 h VAL 728 Ca 0.47 -2.08 -0.10 0.00 0.82 0.00 0.00 66.70 65.81 2ja3 h VAL 728 Cb 0.40 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 2ja3 h VAL 728 CO -0.24 0.63 -0.45 -0.07 0.02 0.00 0.00 177.57 177.46 2ja3 h LEU 729 N 0.33 0.02 -0.40 2.57 3.38 -0.90 -2.57 115.31 117.75 2ja3 h LEU 729 Ca -0.03 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.76 2ja3 h LEU 729 Cb 1.31 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 2ja3 h LEU 729 CO 0.13 0.47 -0.80 0.11 0.09 0.00 0.00 178.44 178.44 2ja3 h LYS 730 N 0.02 0.02 -0.54 1.13 1.57 -1.38 -2.56 116.57 114.82 2ja3 h LYS 730 Ca -0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 2ja3 h LYS 730 Cb 0.81 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 2ja3 h LYS 730 CO 0.06 0.81 0.11 1.25 -0.57 0.00 0.00 179.45 181.12 2ja3 h HIS 731 N 0.01 0.93 -0.37 -1.35 2.76 -1.34 -2.04 115.15 113.75 2ja3 h HIS 731 Ca -0.01 -0.12 -0.14 0.00 -2.20 0.00 0.00 60.37 57.90 2ja3 h HIS 731 Cb 1.42 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 30.11 2ja3 h HIS 731 CO 0.00 0.82 -0.32 0.82 -1.30 0.00 0.00 177.93 177.95 2ja3 h ILE 732 N 0.77 1.28 -0.42 6.26 2.04 -1.41 -1.79 117.51 124.23 2ja3 h ILE 732 Ca 0.17 -1.48 -0.12 0.00 1.00 0.00 0.00 64.86 64.43 2ja3 h ILE 732 Cb 0.37 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 2ja3 h ILE 732 CO 0.01 0.49 -0.22 0.00 0.00 0.00 0.00 178.15 178.43 2ja3 h ALA 733 N 0.94 0.59 -0.73 1.87 0.00 -1.39 -2.07 119.26 118.47 2ja3 h ALA 733 Ca 0.07 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 2ja3 h ALA 733 Cb 0.87 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 2ja3 h ALA 733 CO 0.08 0.57 0.21 0.37 0.00 0.00 0.00 179.25 180.48 2ja3 h GLN 734 N 0.71 1.14 0.00 0.00 4.15 -1.37 -2.44 115.11 117.30 2ja3 h GLN 734 Ca 0.09 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 2ja3 h GLN 734 Cb 0.78 -0.16 -0.00 0.00 0.21 0.00 0.00 27.48 28.31 2ja3 h GLN 734 CO 0.06 0.98 -0.04 1.98 -1.93 0.00 0.00 178.83 179.88 2ja3 h MET 735 N 1.09 0.00 0.00 1.69 4.05 -0.87 -1.93 114.93 118.96 2ja3 h MET 735 Ca 0.23 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.65 2ja3 h MET 735 Cb 0.33 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 2ja3 h MET 735 CO -0.00 0.04 0.00 0.00 0.23 0.00 0.00 176.91 177.18 2ja3 n ALA 736 N -2.35 2.31 -0.97 0.39 0.00 -0.82 -3.81 120.51 115.26 2ja3 n ALA 736 Ca -0.03 -0.12 0.07 0.00 0.00 0.00 0.00 53.44 53.36 2ja3 n ALA 736 Cb 0.13 -1.42 0.32 0.00 0.00 0.00 0.00 19.45 18.48 2ja3 n ALA 736 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ja3 n ASN 737 N -1.28 4.65 0.00 0.00 4.13 -0.72 -5.11 115.26 116.92 2ja3 n ASN 737 Ca 0.13 -3.00 0.00 0.00 1.68 0.00 0.00 54.58 53.38 2ja3 n ASN 737 Cb 0.20 -0.61 0.00 0.00 -1.54 0.00 0.00 39.78 37.84 2ja3 n ASN 737 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2ja3 n GLN 738 N -0.06 0.00 0.00 3.52 3.00 -1.25 -5.14 117.38 117.45 2ja3 n GLN 738 Ca 0.25 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 2ja3 n GLN 738 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 30.24 31.27 2ja3 n GLN 738 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2ja3 n LEU 744 N 0.00 0.00 0.18 1.08 4.77 -1.26 -5.13 117.00 116.64 2ja3 n LEU 744 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 2ja3 n LEU 744 Cb 0.00 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.20 2ja3 n LEU 744 CO 0.00 0.00 0.61 0.15 -1.33 0.00 0.00 177.39 176.82 2ja3 h PHE 745 N 0.00 0.00 0.00 -1.77 3.57 -2.01 -3.07 116.94 113.67 2ja3 h PHE 745 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2ja3 h PHE 745 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2ja3 h PHE 745 CO 0.00 0.16 0.00 0.09 -2.23 0.00 0.00 178.31 176.33 2ja3 n ASN 746 N -3.09 0.00 0.08 0.41 5.03 -1.26 -2.40 115.26 114.03 2ja3 n ASN 746 Ca 0.03 0.45 -0.08 0.00 0.87 0.00 0.00 54.58 55.84 2ja3 n ASN 746 Cb 0.60 -0.48 0.03 0.00 -1.02 0.00 0.00 39.78 38.90 2ja3 n ASN 746 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 2ja3 h GLU 747 N 0.00 0.26 -0.35 3.52 5.08 -1.92 -1.82 114.58 119.35 2ja3 h GLU 747 Ca 0.00 -0.24 -0.15 0.00 -1.00 0.00 0.00 59.36 57.97 2ja3 h GLU 747 Cb 0.45 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2ja3 h GLU 747 CO 0.00 0.92 -0.37 0.35 -1.00 0.00 0.00 179.01 178.91 2ja3 h PHE 748 N 0.16 1.05 -0.40 4.33 -0.00 -1.60 -2.93 116.94 117.56 2ja3 h PHE 748 Ca -0.04 -0.32 -0.06 0.00 -0.00 0.00 0.00 57.97 57.55 2ja3 h PHE 748 Cb 1.38 -0.22 -0.02 0.00 -0.00 0.00 0.00 35.95 37.09 2ja3 h PHE 748 CO 0.03 1.13 -0.02 -0.07 -0.00 0.00 0.00 178.31 179.39 2ja3 h LEU 749 N 0.67 0.62 -2.35 0.59 3.38 -1.53 -1.10 115.31 115.59 2ja3 h LEU 749 Ca 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2ja3 h LEU 749 Cb 0.97 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2ja3 h LEU 749 CO 0.09 0.70 -0.04 -0.08 0.09 0.00 0.00 178.44 179.21 2ja3 h GLU 750 N 0.61 0.00 0.03 1.13 4.57 -1.22 -1.92 114.58 117.78 2ja3 h GLU 750 Ca 0.12 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.18 2ja3 h GLU 750 Cb 0.41 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 2ja3 h GLU 750 CO 0.02 0.04 -0.64 0.28 -1.18 0.00 0.00 179.01 177.53 2ja3 h VAL 751 N 0.00 1.41 0.00 0.32 2.07 -1.05 0.45 116.25 119.45 2ja3 h VAL 751 Ca -0.00 -2.33 0.00 0.00 0.82 0.00 0.00 66.70 65.19 2ja3 h VAL 751 Cb 0.16 2.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2ja3 h VAL 751 CO 0.01 0.55 0.00 0.18 0.02 0.00 0.00 177.57 178.33 2ja3 n LEU 752 N -4.42 0.05 -0.05 2.57 4.77 -0.81 -3.21 117.00 115.91 2ja3 n LEU 752 Ca -0.19 0.52 -0.09 0.00 -0.03 0.00 0.00 56.01 56.22 2ja3 n LEU 752 Cb 0.63 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2ja3 n LEU 752 CO 0.32 -0.54 -0.59 0.33 -1.33 0.00 0.00 177.39 175.58 2ja3 n PHE 753 N -1.57 0.00 -0.28 -1.77 7.35 -0.74 -5.09 117.46 115.36 2ja3 n PHE 753 Ca -0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 2ja3 n PHE 753 Cb 0.01 -0.39 0.00 0.00 0.35 0.00 0.00 39.48 39.45 2ja3 n PHE 753 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00