#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 4.48 -0.16 1.57 2.20 -1.26 -5.02 119.74 121.56 2ja3 s LYS 579 Ca 0.00 1.84 -0.22 0.00 -0.36 0.00 0.00 55.97 57.22 2ja3 s LYS 579 Cb 0.00 -3.04 -0.03 0.00 -1.51 0.00 0.00 37.83 33.25 2ja3 s LYS 579 CO 0.00 0.05 0.69 0.95 -0.36 0.00 0.00 175.35 176.69 2ja3 s THR 580 N -1.24 5.00 0.18 3.43 -4.23 -1.26 -5.05 115.64 112.46 2ja3 s THR 580 Ca 0.48 1.36 0.03 0.00 -1.18 0.00 0.00 61.69 62.37 2ja3 s THR 580 Cb -0.32 -4.01 0.03 0.00 1.34 0.00 0.00 72.50 69.53 2ja3 s THR 580 CO 0.41 0.13 0.21 0.18 -0.54 0.00 0.00 174.62 175.01 2ja3 n LEU 581 N 4.74 0.00 0.16 4.79 4.77 -1.26 -1.83 117.00 128.38 2ja3 n LEU 581 Ca -0.00 -0.84 0.01 0.00 -0.03 0.00 0.00 56.01 55.15 2ja3 n LEU 581 Cb 0.50 -0.09 0.28 0.00 -2.33 0.00 0.00 43.42 41.77 2ja3 n LEU 581 CO 0.46 -0.50 0.62 0.00 -1.33 0.00 0.00 177.39 176.64 2ja3 h ALA 582 N 0.50 1.18 0.00 -1.18 0.00 -0.67 -2.90 119.26 116.20 2ja3 h ALA 582 Ca -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2ja3 h ALA 582 Cb 0.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ja3 h ALA 582 CO 0.14 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.99 2ja3 h MET 583 N 0.00 0.00 0.00 0.00 -0.00 -1.71 -2.50 114.93 110.72 2ja3 h MET 583 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2ja3 h MET 583 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.46 2ja3 h MET 583 CO 0.06 0.00 -0.26 -0.25 -0.00 0.00 0.00 176.91 176.47 2ja3 n ASP 584 N -3.01 0.42 -0.00 -0.10 8.00 -1.09 -4.08 116.55 116.69 2ja3 n ASP 584 Ca 0.01 0.24 0.01 0.00 0.71 0.00 0.00 54.79 55.76 2ja3 n ASP 584 Cb 0.35 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 2ja3 n ASP 584 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2ja3 n VAL 585 N -1.76 0.00 -1.92 2.53 0.31 -1.14 -5.00 118.33 111.35 2ja3 n VAL 585 Ca 0.06 -0.06 -0.33 0.00 -0.01 0.00 0.00 64.34 63.99 2ja3 n VAL 585 Cb 0.37 0.44 0.03 0.00 -0.91 0.00 0.00 33.84 33.78 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 -2.18 3.00 -0.02 5.55 0.23 -0.95 -4.94 119.30 120.00 2ja3 s MET 586 Ca -0.01 1.42 -0.00 0.00 -1.03 0.00 0.00 55.69 56.07 2ja3 s MET 586 Cb 0.02 -1.97 -0.04 0.00 -1.53 0.00 0.00 34.83 31.31 2ja3 s MET 586 CO 0.11 -1.09 0.05 0.15 -2.03 0.00 0.00 175.02 172.20 2ja3 s LYS 587 N -3.89 2.98 0.55 3.16 -0.14 -0.85 -4.01 119.74 117.54 2ja3 s LYS 587 Ca 0.68 -0.50 -0.18 0.00 -1.36 0.00 0.00 55.97 54.60 2ja3 s LYS 587 Cb -0.21 -2.81 -0.06 0.00 -1.68 0.00 0.00 37.83 33.08 2ja3 s LYS 587 CO 0.37 0.65 1.08 -2.14 -0.76 0.00 0.00 175.35 174.55 2ja3 s PRO 588 N -1.57 3.44 0.00 -1.68 0.02 -1.26 -1.60 135.00 132.35 2ja3 s PRO 588 Ca 0.21 1.40 0.00 0.00 0.02 0.00 0.00 61.00 62.62 2ja3 s PRO 588 Cb -0.12 -2.04 0.00 0.00 0.02 0.00 0.00 34.50 32.37 2ja3 s PRO 588 CO 0.11 -0.74 0.00 0.54 -0.33 0.00 0.00 177.00 176.58 2ja3 n ARG 589 N -1.49 -0.05 -1.69 5.54 5.12 -1.26 -4.95 116.66 117.89 2ja3 n ARG 589 Ca 0.10 0.00 -0.44 0.00 -1.93 0.00 0.00 57.85 55.58 2ja3 n ARG 589 Cb 0.52 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.79 2ja3 n ARG 589 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2ja3 n ARG 590 N -0.99 2.61 -3.77 5.56 0.00 -1.26 -3.34 116.66 115.47 2ja3 n ARG 590 Ca 0.00 0.95 -0.24 0.00 -0.00 0.00 0.00 57.85 58.56 2ja3 n ARG 590 Cb 0.00 -2.82 0.03 0.00 -0.00 0.00 0.00 32.46 29.67 2ja3 n ARG 590 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2ja3 n ASN 591 N 5.47 -2.54 -4.64 2.89 3.02 -1.26 -5.01 115.26 113.18 2ja3 n ASN 591 Ca 0.19 -0.80 -0.24 0.00 -0.03 0.00 0.00 54.58 53.70 2ja3 n ASN 591 Cb 0.35 -4.04 -0.08 0.00 -0.61 0.00 0.00 39.78 35.40 2ja3 n ASN 591 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2ja3 s ASP 592 N -3.98 4.24 0.67 6.41 -0.00 -1.21 -5.12 116.67 117.68 2ja3 s ASP 592 Ca 0.24 -0.95 -0.17 0.00 -0.00 0.00 0.00 52.55 51.67 2ja3 s ASP 592 Cb -0.12 -0.56 -0.01 0.00 -0.00 0.00 0.00 42.92 42.23 2ja3 s ASP 592 CO 0.82 -0.23 1.05 -0.81 -0.00 0.00 0.00 175.17 176.00 2ja3 n PRO 593 N -0.96 0.74 -1.21 8.23 -0.04 -1.26 -4.92 135.00 135.58 2ja3 n PRO 593 Ca -0.04 0.31 -0.33 0.00 -0.04 0.00 0.00 63.50 63.40 2ja3 n PRO 593 Cb 0.62 -2.29 0.11 0.00 -0.04 0.00 0.00 33.50 31.90 2ja3 n PRO 593 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ja3 s LEU 594 N -3.21 3.14 0.13 1.53 1.43 -1.26 -4.74 118.68 115.69 2ja3 s LEU 594 Ca 0.77 2.19 -0.35 0.00 -1.03 0.00 0.00 54.13 55.71 2ja3 s LEU 594 Cb -0.37 -4.57 -0.16 0.00 0.03 0.00 0.00 46.19 41.12 2ja3 s LEU 594 CO 0.47 -2.43 1.31 0.18 0.23 0.00 0.00 176.35 176.11 2ja3 n LEU 595 N -3.28 1.82 -4.61 1.79 4.77 -1.26 -4.89 117.00 111.35 2ja3 n LEU 595 Ca 0.12 1.12 -0.43 0.00 -0.03 0.00 0.00 56.01 56.79 2ja3 n LEU 595 Cb 0.51 -1.23 -0.02 0.00 -2.33 0.00 0.00 43.42 40.35 2ja3 n LEU 595 CO 0.49 -1.03 1.13 -0.89 -1.33 0.00 0.00 177.39 175.76 2ja3 s THR 596 N 0.28 4.08 0.36 -5.08 2.01 -1.26 -4.99 115.64 111.03 2ja3 s THR 596 Ca 0.79 1.12 0.06 0.00 0.31 0.00 0.00 61.69 63.97 2ja3 s THR 596 Cb -0.88 -4.37 -0.07 0.00 0.01 0.00 0.00 72.50 67.19 2ja3 s THR 596 CO 0.48 -0.82 0.02 0.54 -0.69 0.00 0.00 174.62 174.15 2ja3 s VAL 597 N 4.84 1.60 0.17 3.82 0.11 -1.26 -4.26 120.40 125.42 2ja3 s VAL 597 Ca 0.55 -2.02 0.09 0.00 -2.93 0.00 0.00 61.98 57.67 2ja3 s VAL 597 Cb -0.11 -2.84 -0.04 0.00 -1.53 0.00 0.00 36.38 31.86 2ja3 s VAL 597 CO 0.30 -0.04 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.07 2ja3 s LEU 598 N -3.58 2.42 0.37 2.54 1.43 -0.46 -4.98 118.68 116.43 2ja3 s LEU 598 Ca 0.35 -0.84 0.04 0.00 -1.03 0.00 0.00 54.13 52.65 2ja3 s LEU 598 Cb 0.08 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 2ja3 s LEU 598 CO 0.16 0.02 0.53 0.42 0.23 0.00 0.00 176.35 177.72 2ja3 s THR 599 N -1.83 4.21 -1.84 5.49 -4.23 -1.26 -1.13 115.64 115.05 2ja3 s THR 599 Ca 0.16 -0.80 0.28 0.00 -1.18 0.00 0.00 61.69 60.15 2ja3 s THR 599 Cb -0.07 -3.50 0.42 0.00 1.34 0.00 0.00 72.50 70.70 2ja3 s THR 599 CO 0.07 -0.25 1.75 0.00 -0.54 0.00 0.00 174.62 175.65 2ja3 n GLN 600 N -1.77 0.91 0.00 3.99 10.64 -0.35 -4.61 117.38 126.19 2ja3 n GLN 600 Ca -0.01 -0.43 0.00 0.00 -1.83 0.00 0.00 57.00 54.73 2ja3 n GLN 600 Cb 0.58 -1.49 0.00 0.00 -0.86 0.00 0.00 30.24 28.47 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 -0.67 0.00 -0.40 2.61 4.64 -1.26 -1.60 116.55 119.87 2ja3 n ASP 601 Ca 0.15 0.00 0.05 0.00 -1.38 0.00 0.00 54.79 53.60 2ja3 n ASP 601 Cb 0.31 0.00 0.05 0.00 -1.04 0.00 0.00 41.12 40.44 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 -0.73 1.94 -4.90 1.67 3.41 -1.26 -4.78 113.62 108.97 2ja3 n SER 602 Ca 0.00 -1.49 -0.34 0.00 -0.26 0.00 0.00 58.87 56.78 2ja3 n SER 602 Cb 0.00 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 63.87 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 -0.82 3.48 0.52 4.33 -1.94 -1.26 -4.98 119.30 118.62 2ja3 s MET 603 Ca 0.12 -0.22 0.07 0.00 -1.71 0.00 0.00 55.69 53.95 2ja3 s MET 603 Cb 0.08 -3.10 0.05 0.00 2.01 0.00 0.00 34.83 33.87 2ja3 s MET 603 CO 0.12 0.68 0.71 0.95 -0.01 0.00 0.00 175.02 177.48 2ja3 s THR 604 N -1.28 2.55 0.23 2.05 -4.23 -1.26 -0.41 115.64 113.30 2ja3 s THR 604 Ca 0.26 -0.94 -0.07 0.00 -1.18 0.00 0.00 61.69 59.76 2ja3 s THR 604 Cb -0.13 -2.62 0.19 0.00 1.34 0.00 0.00 72.50 71.29 2ja3 s THR 604 CO 0.16 0.00 1.85 0.58 -0.54 0.00 0.00 174.62 176.67 2ja3 h VAL 605 N 0.31 1.05 -0.71 2.29 2.07 -1.32 -2.38 116.25 117.56 2ja3 h VAL 605 Ca -0.36 -0.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.78 2ja3 h VAL 605 Cb 1.28 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2ja3 h VAL 605 CO 0.44 0.17 0.20 -0.08 0.02 0.00 0.00 177.57 178.31 2ja3 h GLU 606 N 0.93 1.12 -0.03 1.57 4.81 -1.77 -0.41 114.58 120.80 2ja3 h GLU 606 Ca 0.35 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2ja3 h GLU 606 Cb 0.13 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2ja3 h GLU 606 CO -0.16 0.97 -0.13 -0.44 -0.73 0.00 0.00 179.01 178.52 2ja3 h ASP 607 N 1.07 -0.37 -0.07 1.04 3.45 -1.73 -1.38 116.42 118.44 2ja3 h ASP 607 Ca 0.23 0.06 -0.05 0.00 0.43 0.00 0.00 57.03 57.70 2ja3 h ASP 607 Cb 0.33 0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.25 2ja3 h ASP 607 CO -0.00 -0.18 -0.09 0.58 -1.57 0.00 0.00 179.24 177.98 2ja3 h VAL 608 N -0.20 1.19 -0.58 -1.35 2.07 -1.17 -2.48 116.25 113.73 2ja3 h VAL 608 Ca 0.05 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 2ja3 h VAL 608 Cb 0.27 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 2ja3 h VAL 608 CO -0.14 0.26 0.02 -0.33 0.02 0.00 0.00 177.57 177.40 2ja3 h GLU 609 N 0.33 1.01 -0.04 1.57 5.08 -0.50 -1.79 114.58 120.23 2ja3 h GLU 609 Ca 0.07 -0.31 -0.19 0.00 -1.00 0.00 0.00 59.36 57.93 2ja3 h GLU 609 Cb 0.37 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2ja3 h GLU 609 CO 0.02 0.99 -0.79 1.79 -1.00 0.00 0.00 179.01 180.02 2ja3 h THR 610 N 0.90 1.42 -0.30 1.13 1.35 -1.09 -1.74 112.91 114.58 2ja3 h THR 610 Ca 0.17 -2.31 -0.00 0.00 -0.55 0.00 0.00 66.41 63.71 2ja3 h THR 610 Cb 0.52 2.25 -0.01 0.00 -1.73 0.00 0.00 68.15 69.18 2ja3 h THR 610 CO 0.03 0.69 0.17 0.40 -0.25 0.00 0.00 175.52 176.55 2ja3 h ILE 611 N 0.20 1.11 -0.87 6.82 2.04 -1.35 -0.56 117.51 124.90 2ja3 h ILE 611 Ca -0.04 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 2ja3 h ILE 611 Cb 1.38 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 2ja3 h ILE 611 CO 0.13 0.11 0.48 0.40 0.00 0.00 0.00 178.15 179.27 2ja3 h ILE 612 N 0.37 1.25 -0.26 -0.67 2.04 -1.26 -2.23 117.51 116.75 2ja3 h ILE 612 Ca 0.11 -0.62 -0.11 0.00 1.00 0.00 0.00 64.86 65.24 2ja3 h ILE 612 Cb 0.03 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 2ja3 h ILE 612 CO -0.02 0.28 -0.29 -1.28 0.00 0.00 0.00 178.15 176.84 2ja3 h SER 613 N 1.21 0.53 0.44 1.72 0.87 -0.97 -3.22 113.55 114.13 2ja3 h SER 613 Ca 0.31 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2ja3 h SER 613 Cb 0.02 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2ja3 h SER 613 CO -0.05 0.80 -0.69 -0.62 -0.53 0.00 0.00 176.83 175.74 2ja3 n GLU 614 N -4.09 0.08 -4.43 2.24 1.02 -0.25 -4.95 120.64 110.25 2ja3 n GLU 614 Ca -0.01 0.01 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 2ja3 n GLU 614 Cb 0.44 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 30.22 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 -3.05 1.80 -0.08 2.62 -4.23 -0.86 -5.05 115.64 106.79 2ja3 s THR 615 Ca 0.09 -2.17 0.12 0.00 -1.18 0.00 0.00 61.69 58.55 2ja3 s THR 615 Cb 0.16 -2.40 0.22 0.00 1.34 0.00 0.00 72.50 71.82 2ja3 s THR 615 CO 0.75 -0.34 1.11 0.35 -0.54 0.00 0.00 174.62 175.95 2ja3 n THR 616 N -0.58 1.07 -2.25 3.99 -2.24 -1.26 -4.83 114.28 108.17 2ja3 n THR 616 Ca -0.06 -1.48 -0.40 0.00 -2.27 0.00 0.00 64.05 59.84 2ja3 n THR 616 Cb 0.63 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.62 3.16 0.27 4.78 4.12 -1.26 -4.95 117.35 121.86 2ja3 s TYR 617 Ca 0.22 1.53 -0.04 0.00 0.02 0.00 0.00 57.07 58.80 2ja3 s TYR 617 Cb 0.21 -3.49 0.35 0.00 -1.52 0.00 0.00 41.96 37.50 2ja3 s TYR 617 CO -0.02 -1.39 1.93 0.77 0.02 0.00 0.00 175.55 176.86 2ja3 h SER 618 N 3.19 1.03 -5.32 2.29 0.02 -1.98 -3.43 113.55 109.35 2ja3 h SER 618 Ca -0.48 -0.05 -0.16 0.00 -0.84 0.00 0.00 61.79 60.26 2ja3 h SER 618 Cb 1.23 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 63.45 2ja3 h SER 618 CO 0.65 0.77 -0.04 -0.83 -1.14 0.00 0.00 176.83 176.24 2ja3 s GLY 619 N -3.25 0.98 -0.00 -3.77 0.00 -1.26 -0.92 107.32 99.09 2ja3 s GLY 619 Ca -0.12 -1.17 0.01 0.00 0.00 0.00 0.00 44.72 43.44 2ja3 s GLY 619 CO 0.81 -0.72 -0.04 -1.36 0.00 0.00 0.00 173.10 171.79 2ja3 s PHE 620 N -3.03 0.35 0.66 1.90 0.40 0.36 -4.89 117.98 113.73 2ja3 s PHE 620 Ca 0.24 -0.07 -0.15 0.00 -0.60 0.00 0.00 56.93 56.35 2ja3 s PHE 620 Cb -0.02 -0.23 0.00 0.00 0.51 0.00 0.00 43.02 43.29 2ja3 s PHE 620 CO 0.16 -0.01 1.13 -2.14 0.70 0.00 0.00 175.22 175.05 2ja3 s PRO 621 N -0.11 2.73 -0.14 0.24 0.02 -1.26 -1.44 135.00 135.04 2ja3 s PRO 621 Ca 0.01 1.46 0.01 0.00 0.02 0.00 0.00 61.00 62.51 2ja3 s PRO 621 Cb -0.02 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.58 2ja3 s PRO 621 CO -0.00 -1.32 -0.18 0.08 -0.33 0.00 0.00 177.00 175.25 2ja3 s VAL 622 N -2.25 1.77 0.31 3.83 1.01 0.60 -1.35 120.40 124.32 2ja3 s VAL 622 Ca 0.68 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.98 2ja3 s VAL 622 Cb -0.22 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.51 2ja3 s VAL 622 CO 0.41 0.49 -0.01 0.68 0.00 0.00 0.00 175.10 176.67 2ja3 s VAL 623 N 1.12 2.88 0.14 2.92 -7.23 -0.29 0.06 120.40 120.01 2ja3 s VAL 623 Ca -0.02 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.00 2ja3 s VAL 623 Cb -0.14 -2.76 0.01 0.00 0.56 0.00 0.00 36.38 34.05 2ja3 s VAL 623 CO -0.06 -0.28 1.75 0.58 -0.31 0.00 0.00 175.10 176.78 2ja3 h VAL 624 N 1.87 1.15 -2.64 1.32 2.07 -1.47 -0.91 116.25 117.65 2ja3 h VAL 624 Ca -0.43 -0.40 0.12 0.00 0.82 0.00 0.00 66.70 66.82 2ja3 h VAL 624 Cb 1.25 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 2ja3 h VAL 624 CO 0.64 0.16 0.37 -0.94 0.02 0.00 0.00 177.57 177.81 2ja3 s SER 625 N -5.71 -0.24 0.33 0.57 1.04 -1.26 -4.18 113.70 104.25 2ja3 s SER 625 Ca -0.13 -0.45 0.15 0.00 0.48 0.00 0.00 55.95 56.00 2ja3 s SER 625 Cb 0.11 0.59 0.53 0.00 0.10 0.00 0.00 66.02 67.34 2ja3 s SER 625 CO 0.74 -1.08 1.67 0.03 0.98 0.00 0.00 173.24 175.58 2ja3 h ARG 626 N 2.00 0.00 0.19 4.02 3.08 -1.96 -1.45 114.38 120.26 2ja3 h ARG 626 Ca -0.22 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.56 2ja3 h ARG 626 Cb 1.24 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.32 2ja3 h ARG 626 CO 0.25 0.48 -1.16 1.49 -1.07 0.00 0.00 179.97 179.96 2ja3 h GLU 627 N 0.00 0.45 -0.26 0.04 4.81 -2.02 -3.35 114.58 114.25 2ja3 h GLU 627 Ca -0.00 -0.74 -0.10 0.00 -0.13 0.00 0.00 59.36 58.38 2ja3 h GLU 627 Cb 1.00 0.27 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 2ja3 h GLU 627 CO 0.06 1.35 -0.24 0.66 -0.73 0.00 0.00 179.01 180.11 2ja3 h SER 628 N -0.06 0.66 -1.41 1.04 4.64 -1.96 -3.47 113.55 112.99 2ja3 h SER 628 Ca -0.20 -0.47 -0.39 0.00 -0.47 0.00 0.00 61.79 60.26 2ja3 h SER 628 Cb 1.91 -0.19 -0.13 0.00 -0.31 0.00 0.00 62.40 63.68 2ja3 h SER 628 CO 0.22 0.99 -0.38 0.00 -0.87 0.00 0.00 176.83 176.79 2ja3 n GLN 629 N -4.34 -1.48 -2.45 4.77 1.13 -0.55 -4.80 117.38 109.66 2ja3 n GLN 629 Ca -0.04 1.11 -0.42 0.00 -1.94 0.00 0.00 57.00 55.70 2ja3 n GLN 629 Cb 0.44 -5.51 -0.03 0.00 0.11 0.00 0.00 30.24 25.25 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 -3.86 4.37 0.09 -1.09 3.00 -1.26 -1.61 118.95 118.58 2ja3 s ARG 630 Ca 0.00 1.69 -0.30 0.00 0.00 0.00 0.00 55.73 57.12 2ja3 s ARG 630 Cb 0.00 -3.51 -0.06 0.00 0.00 0.00 0.00 34.95 31.38 2ja3 s ARG 630 CO 0.00 -0.40 1.19 -1.17 0.00 0.00 0.00 175.30 174.92 2ja3 s LEU 631 N 1.95 4.39 -0.14 2.53 0.20 -1.26 -1.17 118.68 125.18 2ja3 s LEU 631 Ca 0.57 2.05 -0.00 0.00 0.69 0.00 0.00 54.13 57.43 2ja3 s LEU 631 Cb -0.26 -3.59 -0.08 0.00 -0.43 0.00 0.00 46.19 41.84 2ja3 s LEU 631 CO 0.24 -0.43 -0.13 0.52 -0.29 0.00 0.00 176.35 176.26 2ja3 n VAL 632 N 3.56 0.77 -3.38 1.68 0.31 0.11 -4.88 118.33 116.51 2ja3 n VAL 632 Ca 0.08 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2ja3 n VAL 632 Cb 0.46 -1.11 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 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 2.72 0.96 3.10 2.92 0.00 -0.95 -4.68 105.19 109.25 2ja3 n GLY 633 Ca -0.25 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.13 1.04 -0.01 1.61 5.36 -1.00 -0.29 117.98 121.56 2ja3 s PHE 634 Ca 0.00 -0.31 -0.01 0.00 -0.96 0.00 0.00 56.93 55.65 2ja3 s PHE 634 Cb 0.00 -0.63 0.01 0.00 -0.34 0.00 0.00 43.02 42.05 2ja3 s PHE 634 CO 0.00 0.01 0.03 0.54 -1.46 0.00 0.00 175.22 174.34 2ja3 s VAL 635 N -0.71 -0.01 0.11 3.12 0.11 -0.52 -1.03 120.40 121.47 2ja3 s VAL 635 Ca 0.01 0.05 -0.18 0.00 -2.93 0.00 0.00 61.98 58.92 2ja3 s VAL 635 Cb -0.07 -0.06 -0.07 0.00 -1.53 0.00 0.00 36.38 34.65 2ja3 s VAL 635 CO 0.01 0.02 0.58 -0.76 -3.33 0.00 0.00 175.10 171.62 2ja3 s LEU 636 N 0.25 4.47 0.14 2.54 1.43 -1.26 -0.49 118.68 125.77 2ja3 s LEU 636 Ca -0.02 1.25 -0.19 0.00 -1.03 0.00 0.00 54.13 54.14 2ja3 s LEU 636 Cb -0.03 -3.05 0.02 0.00 0.03 0.00 0.00 46.19 43.16 2ja3 s LEU 636 CO -0.01 0.21 1.69 -0.09 0.23 0.00 0.00 176.35 178.39 2ja3 h ARG 637 N 4.21 0.01 -0.81 1.70 2.43 -1.31 -0.22 114.38 120.39 2ja3 h ARG 637 Ca -0.49 -0.00 0.15 0.00 -0.81 0.00 0.00 59.98 58.83 2ja3 h ARG 637 Cb 1.21 -0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.60 2ja3 h ARG 637 CO 0.64 0.01 -0.26 -0.09 -1.51 0.00 0.00 179.97 178.76 2ja3 h ARG 638 N 0.01 -0.03 -0.11 0.20 2.43 -1.93 -1.82 114.38 113.13 2ja3 h ARG 638 Ca 0.13 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 59.12 2ja3 h ARG 638 Cb 0.20 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2ja3 h ARG 638 CO -0.28 -0.02 -0.69 -0.44 -1.51 0.00 0.00 179.97 177.04 2ja3 h ASP 639 N -0.03 0.55 -0.16 -3.80 3.32 -1.74 -3.07 116.42 111.49 2ja3 h ASP 639 Ca 0.36 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 2ja3 h ASP 639 Cb 0.60 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2ja3 h ASP 639 CO -0.84 1.08 0.07 -0.07 -1.72 0.00 0.00 179.24 177.75 2ja3 h LEU 640 N 0.34 0.22 -0.03 1.55 3.38 -0.61 -2.01 115.31 118.15 2ja3 h LEU 640 Ca -0.02 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.83 2ja3 h LEU 640 Cb 1.26 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 2ja3 h LEU 640 CO 0.12 0.31 -0.25 0.40 0.09 0.00 0.00 178.44 179.11 2ja3 h ILE 641 N 0.11 0.42 -0.54 1.22 2.04 -1.39 -1.44 117.51 117.94 2ja3 h ILE 641 Ca 0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.96 2ja3 h ILE 641 Cb 0.16 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 2ja3 h ILE 641 CO -0.00 0.00 0.29 0.40 0.00 0.00 0.00 178.15 178.83 2ja3 h ILE 642 N -0.38 0.98 -0.00 -0.67 2.04 -1.50 -0.43 117.51 117.55 2ja3 h ILE 642 Ca 0.07 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.65 2ja3 h ILE 642 Cb 0.48 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2ja3 h ILE 642 CO -0.24 0.10 -0.39 0.28 0.00 0.00 0.00 178.15 177.90 2ja3 h SER 643 N 0.56 0.00 0.71 1.72 0.02 -1.11 -1.51 113.55 113.94 2ja3 h SER 643 Ca 0.23 -0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.92 2ja3 h SER 643 Cb 0.11 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 2ja3 h SER 643 CO -0.15 0.40 -1.38 0.40 -1.14 0.00 0.00 176.83 174.97 2ja3 h ILE 644 N 0.00 1.27 -0.06 3.27 2.04 -0.78 -3.01 117.51 120.25 2ja3 h ILE 644 Ca -0.00 -3.03 -0.18 0.00 1.00 0.00 0.00 64.86 62.64 2ja3 h ILE 644 Cb 0.70 2.65 -0.01 0.00 -0.74 0.00 0.00 36.82 39.42 2ja3 h ILE 644 CO 0.05 0.75 -0.74 -0.33 0.00 0.00 0.00 178.15 177.88 2ja3 h GLU 645 N 0.01 0.33 0.00 2.37 5.08 -1.04 -2.95 114.58 118.38 2ja3 h GLU 645 Ca -0.16 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2ja3 h GLU 645 Cb 1.91 0.06 0.00 0.00 0.50 0.00 0.00 28.75 31.22 2ja3 h GLU 645 CO 0.11 0.93 0.00 -0.91 -1.00 0.00 0.00 179.01 178.14 2ja3 h ASN 646 N 0.22 0.00 0.52 1.42 2.35 -1.33 -3.11 115.58 115.65 2ja3 h ASN 646 Ca -0.03 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.43 2ja3 h ASN 646 Cb 1.31 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.64 2ja3 h ASN 646 CO 0.12 0.00 -1.66 0.00 -1.65 0.00 0.00 177.43 174.24 2ja3 h ALA 647 N 2.03 0.72 -0.01 -0.83 0.00 -1.44 -3.34 119.26 116.39 2ja3 h ALA 647 Ca 0.00 -1.41 -0.00 0.00 0.00 0.00 0.00 54.91 53.50 2ja3 h ALA 647 Cb 0.48 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 2ja3 h ALA 647 CO 0.00 1.54 0.00 0.00 0.00 0.00 0.00 179.25 180.80 2ja3 h ARG 648 N 0.00 0.01 -0.36 0.00 3.08 -1.46 -3.25 114.38 112.41 2ja3 h ARG 648 Ca -0.27 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.81 2ja3 h ARG 648 Cb 1.99 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.02 2ja3 h ARG 648 CO 0.09 0.13 0.24 0.87 -1.07 0.00 0.00 179.97 180.23 2ja3 h LYS 649 N -0.11 0.34 0.00 0.04 1.57 -1.69 -1.44 116.57 115.28 2ja3 h LYS 649 Ca 0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2ja3 h LYS 649 Cb 0.12 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2ja3 h LYS 649 CO -0.00 0.23 -0.17 0.87 -0.57 0.00 0.00 179.45 179.81 2ja3 h LYS 650 N 0.35 0.00 -6.55 3.15 1.57 -1.67 -3.47 116.57 109.96 2ja3 h LYS 650 Ca 0.15 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.42 2ja3 h LYS 650 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2ja3 h LYS 650 CO -0.03 0.17 -0.93 1.04 -0.57 0.00 0.00 179.45 179.13 2ja3 n GLN 651 N -3.86 -2.00 -0.69 3.15 1.13 -0.54 -4.90 117.38 109.68 2ja3 n GLN 651 Ca -0.02 0.34 0.03 0.00 -1.94 0.00 0.00 57.00 55.40 2ja3 n GLN 651 Cb 0.27 -4.02 0.20 0.00 0.11 0.00 0.00 30.24 26.80 2ja3 n GLN 651 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2ja3 n ASP 652 N -2.76 1.98 0.00 1.08 5.75 -1.26 -4.93 116.55 116.40 2ja3 n ASP 652 Ca -0.22 -3.88 0.00 0.00 -0.01 0.00 0.00 54.79 50.68 2ja3 n ASP 652 Cb 0.64 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2ja3 n ASP 652 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ja3 n GLY 653 N -1.11 1.95 3.60 6.12 0.00 -1.26 -4.93 105.19 109.55 2ja3 n GLY 653 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.36 3.76 0.39 1.61 1.01 -1.26 -4.21 120.40 119.34 2ja3 s VAL 654 Ca 0.00 0.76 0.05 0.00 0.00 0.00 0.00 61.98 62.79 2ja3 s VAL 654 Cb 0.00 -4.08 -0.07 0.00 0.00 0.00 0.00 36.38 32.24 2ja3 s VAL 654 CO 0.00 -0.72 0.03 0.68 0.00 0.00 0.00 175.10 175.10 2ja3 s VAL 655 N 5.99 1.58 0.50 2.92 -7.23 -1.26 -4.83 120.40 118.06 2ja3 s VAL 655 Ca 0.65 -2.00 0.43 0.00 -1.81 0.00 0.00 61.98 59.25 2ja3 s VAL 655 Cb -0.16 -2.83 0.64 0.00 0.56 0.00 0.00 36.38 34.59 2ja3 s VAL 655 CO 0.32 0.00 1.53 -1.54 -0.31 0.00 0.00 175.10 175.10 2ja3 n SER 656 N -0.90 0.08 -1.28 4.85 3.41 -1.26 0.90 113.62 119.42 2ja3 n SER 656 Ca -0.05 1.12 0.10 0.00 -0.26 0.00 0.00 58.87 59.78 2ja3 n SER 656 Cb 0.67 -0.56 0.30 0.00 -0.26 0.00 0.00 64.21 64.36 2ja3 n SER 656 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2ja3 n THR 657 N -4.19 1.10 -2.45 6.66 -2.24 -1.26 -2.33 114.28 109.57 2ja3 n THR 657 Ca 0.42 -0.92 -0.41 0.00 -2.27 0.00 0.00 64.05 60.87 2ja3 n THR 657 Cb 1.81 0.33 -0.04 0.00 -2.10 0.00 0.00 70.33 70.33 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 -0.95 7.18 0.11 3.42 0.01 0.26 -4.81 113.70 118.90 2ja3 s SER 658 Ca 0.44 2.16 -0.30 0.00 1.31 0.00 0.00 55.95 59.56 2ja3 s SER 658 Cb 0.25 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.81 2ja3 s SER 658 CO 0.27 -0.29 1.04 -0.63 0.41 0.00 0.00 173.24 174.04 2ja3 s ILE 659 N -0.17 4.31 -0.15 1.44 -1.09 -1.26 -1.60 121.20 122.67 2ja3 s ILE 659 Ca 0.51 1.85 -0.11 0.00 -2.23 0.00 0.00 60.65 60.67 2ja3 s ILE 659 Cb -0.31 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.34 2ja3 s ILE 659 CO 0.36 0.25 0.20 -0.63 -1.23 0.00 0.00 174.94 173.89 2ja3 s ILE 660 N 0.24 5.38 0.05 2.92 1.01 0.45 -0.12 121.20 131.12 2ja3 s ILE 660 Ca 0.50 0.35 0.02 0.00 0.00 0.00 0.00 60.65 61.52 2ja3 s ILE 660 Cb -0.26 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 2ja3 s ILE 660 CO 0.31 0.48 -0.07 -0.72 0.00 0.00 0.00 174.94 174.93 2ja3 s TYR 661 N -0.05 0.70 -0.68 3.97 -0.85 -0.28 -4.21 117.35 115.95 2ja3 s TYR 661 Ca 0.13 -0.59 0.06 0.00 -0.52 0.00 0.00 57.07 56.15 2ja3 s TYR 661 Cb -0.12 -0.42 0.05 0.00 0.38 0.00 0.00 41.96 41.85 2ja3 s TYR 661 CO 0.02 -0.10 0.70 1.19 -1.52 0.00 0.00 175.55 175.84 2ja3 n PHE 662 N 1.17 0.01 -1.42 -3.49 3.01 -0.63 -1.18 117.46 114.94 2ja3 n PHE 662 Ca -0.21 -0.03 -0.30 0.00 1.01 0.00 0.00 57.45 57.93 2ja3 n PHE 662 Cb 0.56 -0.00 0.20 0.00 -0.01 0.00 0.00 39.48 40.22 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 -0.49 1.82 0.11 4.37 -4.23 -1.25 -4.55 115.64 111.41 2ja3 s THR 663 Ca 0.07 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.46 2ja3 s THR 663 Cb 0.05 -2.69 -0.17 0.00 1.34 0.00 0.00 72.50 71.03 2ja3 s THR 663 CO 0.07 0.00 1.30 -0.33 -0.54 0.00 0.00 174.62 175.12 2ja3 h GLU 664 N -2.05 0.73 -6.21 3.99 4.39 -1.98 -3.45 114.58 110.01 2ja3 h GLU 664 Ca -0.47 -0.64 -0.55 0.00 0.34 0.00 0.00 59.36 58.05 2ja3 h GLU 664 Cb 1.29 0.15 -0.08 0.00 -0.10 0.00 0.00 28.75 30.00 2ja3 h GLU 664 CO 0.43 1.24 -0.62 -1.01 -1.16 0.00 0.00 179.01 177.89 2ja3 s HIS 665 N -3.64 2.81 0.22 4.33 3.76 -1.26 -5.11 115.29 116.39 2ja3 s HIS 665 Ca -0.10 -0.19 -0.30 0.00 -0.15 0.00 0.00 55.06 54.33 2ja3 s HIS 665 Cb 0.08 -1.26 -0.08 0.00 1.11 0.00 0.00 32.58 32.43 2ja3 s HIS 665 CO 0.90 0.59 1.04 0.45 -0.85 0.00 0.00 174.74 176.87 2ja3 s SER 666 N -3.68 7.40 0.61 1.40 0.15 -1.26 -4.98 113.70 113.34 2ja3 s SER 666 Ca 0.32 2.08 -0.19 0.00 0.70 0.00 0.00 55.95 58.85 2ja3 s SER 666 Cb -0.07 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.60 2ja3 s SER 666 CO 0.21 -0.07 1.27 -2.16 1.20 0.00 0.00 173.24 173.69 2ja3 s PRO 667 N -0.92 2.83 0.09 5.44 0.04 -1.26 -4.95 135.00 136.27 2ja3 s PRO 667 Ca 0.45 1.99 -0.31 0.00 0.04 0.00 0.00 61.00 63.17 2ja3 s PRO 667 Cb -0.29 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 2ja3 s PRO 667 CO 0.36 -1.36 1.66 -1.25 0.04 0.00 0.00 177.00 176.45 2ja3 s PRO 668 N -3.27 4.19 0.00 0.56 0.04 -1.26 -5.01 135.00 130.25 2ja3 s PRO 668 Ca 0.79 2.37 0.02 0.00 0.04 0.00 0.00 61.00 64.21 2ja3 s PRO 668 Cb -0.35 -3.54 -0.01 0.00 0.04 0.00 0.00 34.50 30.65 2ja3 s PRO 668 CO 0.38 -0.73 -0.05 -0.51 0.04 0.00 0.00 177.00 176.13 2ja3 s LEU 669 N 2.44 2.05 1.13 -3.56 1.02 -1.26 -5.16 118.68 115.34 2ja3 s LEU 669 Ca 0.74 -0.16 -0.18 0.00 0.02 0.00 0.00 54.13 54.55 2ja3 s LEU 669 Cb -0.41 -0.24 0.14 0.00 0.02 0.00 0.00 46.19 45.70 2ja3 s LEU 669 CO 0.33 0.02 0.13 -2.65 0.02 0.00 0.00 176.35 174.20 2ja3 n PRO 670 N 2.73 -1.92 -1.73 1.29 -0.02 -1.26 -4.99 135.00 129.10 2ja3 n PRO 670 Ca -0.14 -0.55 -0.32 0.00 -2.02 0.00 0.00 63.50 60.47 2ja3 n PRO 670 Cb 0.58 -1.71 0.04 0.00 -0.02 0.00 0.00 33.50 32.38 2ja3 n PRO 670 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2ja3 s PRO 671 N -3.57 3.06 0.00 0.52 0.04 -1.26 -3.81 135.00 129.99 2ja3 s PRO 671 Ca 0.55 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.64 2ja3 s PRO 671 Cb -0.12 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2ja3 s PRO 671 CO 0.62 -1.01 0.00 0.66 0.04 0.00 0.00 177.00 177.31 2ja3 n TYR 672 N -2.75 0.00 -2.99 0.56 4.02 -1.26 -4.99 117.16 109.75 2ja3 n TYR 672 Ca 0.08 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.58 2ja3 n TYR 672 Cb 0.53 -0.72 -0.06 0.00 -0.02 0.00 0.00 39.34 39.07 2ja3 n TYR 672 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2ja3 s THR 673 N -2.38 4.39 0.93 -0.72 -4.23 -1.25 -5.04 115.64 107.33 2ja3 s THR 673 Ca 0.00 1.68 -0.11 0.00 -1.18 0.00 0.00 61.69 62.09 2ja3 s THR 673 Cb 0.00 -4.13 0.15 0.00 1.34 0.00 0.00 72.50 69.86 2ja3 s THR 673 CO 0.00 0.52 1.11 -2.16 -0.54 0.00 0.00 174.62 173.56 2ja3 s PRO 674 N -1.13 0.96 0.95 3.99 0.04 -1.26 -4.98 135.00 133.57 2ja3 s PRO 674 Ca 0.35 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.58 2ja3 s PRO 674 Cb -0.23 -1.74 0.11 0.00 0.04 0.00 0.00 34.50 32.69 2ja3 s PRO 674 CO 0.26 -2.59 0.86 -0.35 0.04 0.00 0.00 177.00 175.22 2ja3 n PRO 675 N -4.18 -0.51 -3.95 0.56 -0.04 -1.26 -4.78 135.00 120.85 2ja3 n PRO 675 Ca 0.09 -0.09 -0.21 0.00 -0.04 0.00 0.00 63.50 63.25 2ja3 n PRO 675 Cb 0.53 -2.17 -0.02 0.00 -0.04 0.00 0.00 33.50 31.80 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 -2.54 5.15 -0.26 0.52 -4.23 -1.26 -4.27 115.64 108.75 2ja3 s THR 676 Ca 0.63 -1.01 -0.01 0.00 -1.18 0.00 0.00 61.69 60.12 2ja3 s THR 676 Cb -0.22 -3.81 0.03 0.00 1.34 0.00 0.00 72.50 69.84 2ja3 s THR 676 CO 0.62 -0.32 -0.05 -0.22 -0.54 0.00 0.00 174.62 174.10 2ja3 s LEU 677 N -3.98 3.36 -0.26 4.79 0.20 0.83 -4.96 118.68 118.65 2ja3 s LEU 677 Ca 0.35 -1.02 -0.19 0.00 0.69 0.00 0.00 54.13 53.96 2ja3 s LEU 677 Cb -0.09 -1.66 -0.03 0.00 -0.43 0.00 0.00 46.19 43.99 2ja3 s LEU 677 CO 0.29 -0.16 0.55 -0.75 -0.29 0.00 0.00 176.35 175.98 2ja3 s LYS 678 N 1.28 4.08 -0.16 1.98 2.20 -1.26 -1.13 119.74 126.74 2ja3 s LYS 678 Ca -0.02 0.39 0.17 0.00 -0.36 0.00 0.00 55.97 56.15 2ja3 s LYS 678 Cb -0.18 -3.65 0.36 0.00 -1.51 0.00 0.00 37.83 32.85 2ja3 s LYS 678 CO -0.04 -0.36 1.22 1.28 -0.36 0.00 0.00 175.35 177.09 2ja3 n LEU 679 N 5.56 2.75 0.26 5.43 4.77 -0.32 -4.75 117.00 130.69 2ja3 n LEU 679 Ca -0.03 -3.20 0.17 0.00 -0.03 0.00 0.00 56.01 52.92 2ja3 n LEU 679 Cb 0.50 -0.47 0.82 0.00 -2.33 0.00 0.00 43.42 41.94 2ja3 n LEU 679 CO 0.41 0.81 1.01 -0.09 -1.33 0.00 0.00 177.39 178.20 2ja3 h ARG 680 N 0.48 0.00 -0.24 3.23 2.43 -1.80 -2.84 114.38 115.64 2ja3 h ARG 680 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2ja3 h ARG 680 Cb 1.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2ja3 h ARG 680 CO 0.06 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 178.79 2ja3 n ASN 681 N -2.82 1.76 0.00 -3.80 6.94 -1.26 -3.22 115.26 112.86 2ja3 n ASN 681 Ca -0.01 -1.82 0.00 0.00 -0.02 0.00 0.00 54.58 52.73 2ja3 n ASN 681 Cb 0.17 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 2ja3 n ASN 681 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 2ja3 n ILE 682 N 0.41 0.62 -3.44 1.53 -5.35 -1.07 -5.03 119.36 107.03 2ja3 n ILE 682 Ca 0.14 -0.71 -0.38 0.00 -0.27 0.00 0.00 62.75 61.54 2ja3 n ILE 682 Cb 0.32 0.74 -0.07 0.00 -1.74 0.00 0.00 39.64 38.88 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 -0.62 4.19 -0.70 7.28 2.96 -1.20 -4.54 118.68 126.05 2ja3 s LEU 683 Ca 0.00 0.52 -0.27 0.00 -0.22 0.00 0.00 54.13 54.16 2ja3 s LEU 683 Cb 0.00 -2.47 0.02 0.00 0.50 0.00 0.00 46.19 44.24 2ja3 s LEU 683 CO 0.00 -0.01 1.39 -0.62 -1.32 0.00 0.00 176.35 175.79 2ja3 s ASP 684 N 0.84 6.01 -0.00 3.68 2.15 -0.19 -4.86 116.67 124.30 2ja3 s ASP 684 Ca 0.18 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 52.93 2ja3 s ASP 684 Cb -0.14 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.94 2ja3 s ASP 684 CO 0.07 -1.91 0.80 0.18 -0.17 0.00 0.00 175.17 174.14 2ja3 n LEU 685 N 9.95 0.50 -3.04 -1.34 4.77 -1.26 -2.38 117.00 124.20 2ja3 n LEU 685 Ca 0.07 -0.25 -0.15 0.00 -0.03 0.00 0.00 56.01 55.65 2ja3 n LEU 685 Cb 0.50 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2ja3 n LEU 685 CO 0.71 0.12 -0.14 -1.20 -1.33 0.00 0.00 177.39 175.55 2ja3 n SER 686 N -0.26 0.59 -4.77 -1.43 7.64 -1.26 -4.92 113.62 109.20 2ja3 n SER 686 Ca 0.00 -3.00 -0.36 0.00 1.01 0.00 0.00 58.87 56.52 2ja3 n SER 686 Cb 0.12 -0.33 -0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 -2.25 3.56 0.33 1.43 0.04 -1.25 -5.01 135.00 131.85 2ja3 s PRO 687 Ca 0.35 1.71 -0.26 0.00 0.04 0.00 0.00 61.00 62.85 2ja3 s PRO 687 Cb 0.37 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 2ja3 s PRO 687 CO -0.06 -0.70 0.95 0.12 0.04 0.00 0.00 177.00 177.35 2ja3 s PHE 688 N -1.64 3.66 0.14 0.56 5.36 -1.26 -5.01 117.98 119.79 2ja3 s PHE 688 Ca 0.68 1.77 0.07 0.00 -0.96 0.00 0.00 56.93 58.49 2ja3 s PHE 688 Cb -0.27 -2.92 -0.04 0.00 -0.34 0.00 0.00 43.02 39.45 2ja3 s PHE 688 CO 0.31 0.17 -0.16 0.99 -1.46 0.00 0.00 175.22 175.08 2ja3 s THR 689 N -1.65 1.51 -0.22 0.12 2.01 -1.26 -2.28 115.64 113.87 2ja3 s THR 689 Ca 0.51 -1.79 -0.12 0.00 0.31 0.00 0.00 61.69 60.60 2ja3 s THR 689 Cb -0.18 -1.65 0.07 0.00 0.01 0.00 0.00 72.50 70.75 2ja3 s THR 689 CO 0.23 -0.37 0.52 -0.69 -0.69 0.00 0.00 174.62 173.62 2ja3 s VAL 690 N -2.10 -0.06 0.60 3.82 1.01 -0.69 -4.94 120.40 118.05 2ja3 s VAL 690 Ca 0.11 0.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 2ja3 s VAL 690 Cb -0.05 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.53 2ja3 s VAL 690 CO 0.04 0.02 1.14 0.42 0.00 0.00 0.00 175.10 176.73 2ja3 s THR 691 N 1.56 3.04 0.55 3.92 -4.23 -1.26 -1.70 115.64 117.53 2ja3 s THR 691 Ca -0.09 0.59 0.37 0.00 -1.18 0.00 0.00 61.69 61.37 2ja3 s THR 691 Cb -0.07 -3.17 0.39 0.00 1.34 0.00 0.00 72.50 70.99 2ja3 s THR 691 CO -0.16 -0.20 2.26 -2.24 -0.54 0.00 0.00 174.62 173.74 2ja3 h ASP 692 N 0.68 0.00 0.78 3.99 -0.00 -1.59 -1.91 116.42 118.37 2ja3 h ASP 692 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.54 2ja3 h ASP 692 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.60 2ja3 h ASP 692 CO 0.55 0.02 -0.38 0.18 -0.00 0.00 0.00 179.24 179.61 2ja3 n LEU 693 N -3.39 0.46 -4.71 0.15 4.77 -1.26 -2.12 117.00 110.89 2ja3 n LEU 693 Ca -0.02 0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.75 2ja3 n LEU 693 Cb 0.12 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 2ja3 n LEU 693 CO 0.24 0.03 1.42 0.41 -1.33 0.00 0.00 177.39 178.16 2ja3 n THR 694 N -1.71 0.14 -1.92 -5.08 -1.04 -0.72 -4.72 114.28 99.24 2ja3 n THR 694 Ca 0.05 -0.03 -0.36 0.00 -2.04 0.00 0.00 64.05 61.68 2ja3 n THR 694 Cb 0.37 -2.05 0.04 0.00 -1.82 0.00 0.00 70.33 66.87 2ja3 n THR 694 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2ja3 s PRO 695 N 1.79 2.84 0.53 -2.82 0.02 -1.26 -0.40 135.00 135.70 2ja3 s PRO 695 Ca 0.78 1.87 0.34 0.00 0.02 0.00 0.00 61.00 64.01 2ja3 s PRO 695 Cb -0.49 -1.91 1.50 0.00 0.02 0.00 0.00 34.50 33.62 2ja3 s PRO 695 CO 0.34 -1.32 2.01 0.52 -0.33 0.00 0.00 177.00 178.22 2ja3 h MET 696 N 0.75 0.00 -0.58 5.54 2.86 -1.58 -2.31 114.93 119.61 2ja3 h MET 696 Ca -0.50 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.09 2ja3 h MET 696 Cb 1.31 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.94 2ja3 h MET 696 CO 0.54 0.00 0.17 0.93 1.06 0.00 0.00 176.91 179.62 2ja3 h GLU 697 N 0.00 0.91 -0.01 1.72 4.39 -1.91 -0.48 114.58 119.21 2ja3 h GLU 697 Ca 0.00 -0.20 -0.20 0.00 0.34 0.00 0.00 59.36 59.30 2ja3 h GLU 697 Cb 0.39 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2ja3 h GLU 697 CO 0.00 0.83 -0.87 0.82 -1.16 0.00 0.00 179.01 178.63 2ja3 h ILE 698 N 0.83 1.46 -0.43 3.13 2.04 -1.81 -3.02 117.51 119.71 2ja3 h ILE 698 Ca 0.19 -2.50 -0.09 0.00 1.00 0.00 0.00 64.86 63.45 2ja3 h ILE 698 Cb 0.30 2.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 2ja3 h ILE 698 CO -0.00 0.74 -0.09 0.58 0.00 0.00 0.00 178.15 179.37 2ja3 h VAL 699 N 0.16 1.27 -0.45 1.67 2.07 -1.27 -1.91 116.25 117.79 2ja3 h VAL 699 Ca -0.05 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 2ja3 h VAL 699 Cb 1.49 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 2ja3 h VAL 699 CO 0.14 0.40 0.20 0.58 0.02 0.00 0.00 177.57 178.90 2ja3 h VAL 700 N 0.64 1.16 -0.08 2.57 2.07 -1.12 -1.89 116.25 119.60 2ja3 h VAL 700 Ca 0.11 -0.49 -0.20 0.00 0.82 0.00 0.00 66.70 66.94 2ja3 h VAL 700 Cb 0.61 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 2ja3 h VAL 700 CO 0.04 0.19 -0.78 -0.78 0.02 0.00 0.00 177.57 176.26 2ja3 h ASP 701 N 0.63 0.59 -0.50 0.57 3.58 -1.37 -2.41 116.42 117.52 2ja3 h ASP 701 Ca 0.16 -0.40 -0.12 0.00 0.42 0.00 0.00 57.03 57.08 2ja3 h ASP 701 Cb 0.10 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 2ja3 h ASP 701 CO -0.02 1.17 -0.15 0.40 -2.88 0.00 0.00 179.24 177.76 2ja3 h ILE 702 N 0.33 1.27 -0.73 2.25 2.04 -1.04 -1.73 117.51 119.90 2ja3 h ILE 702 Ca -0.04 -1.31 0.01 0.00 1.00 0.00 0.00 64.86 64.52 2ja3 h ILE 702 Cb 1.38 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 38.49 2ja3 h ILE 702 CO 0.14 0.45 0.48 -0.26 0.00 0.00 0.00 178.15 178.96 2ja3 h PHE 703 N 0.84 0.91 -0.25 1.37 -1.00 -1.30 -1.61 116.94 115.91 2ja3 h PHE 703 Ca 0.12 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.88 2ja3 h PHE 703 Cb 0.72 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 2ja3 h PHE 703 CO 0.05 0.56 -0.01 0.00 -1.61 0.00 0.00 178.31 177.30 2ja3 h ARG 704 N 0.97 0.44 0.00 1.51 3.08 -1.33 -2.26 114.38 116.80 2ja3 h ARG 704 Ca 0.27 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 2ja3 h ARG 704 Cb -0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2ja3 h ARG 704 CO -0.07 0.63 -0.49 0.87 -1.07 0.00 0.00 179.97 179.84 2ja3 h LYS 705 N 0.21 0.00 0.00 0.04 1.57 -1.19 -3.33 116.57 113.87 2ja3 h LYS 705 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2ja3 h LYS 705 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2ja3 h LYS 705 CO 0.02 0.49 -0.60 1.28 -0.57 0.00 0.00 179.45 180.07 2ja3 n LEU 706 N -3.28 0.46 -2.82 2.94 4.77 -0.62 -5.02 117.00 113.43 2ja3 n LEU 706 Ca 0.02 -0.45 -0.16 0.00 -0.03 0.00 0.00 56.01 55.38 2ja3 n LEU 706 Cb 0.70 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.85 2ja3 n LEU 706 CO 0.40 0.11 0.15 0.61 -1.33 0.00 0.00 177.39 177.34 2ja3 n GLY 707 N 1.31 -0.17 3.78 -0.72 0.00 -0.85 -4.99 105.19 103.55 2ja3 n GLY 707 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.59 3.99 -0.10 0.99 1.43 -1.22 -4.97 118.68 113.22 2ja3 s LEU 708 Ca 0.30 2.17 0.08 0.00 -1.03 0.00 0.00 54.13 55.65 2ja3 s LEU 708 Cb -0.13 -4.31 -0.24 0.00 0.03 0.00 0.00 46.19 41.54 2ja3 s LEU 708 CO 0.55 -0.83 0.43 0.54 0.23 0.00 0.00 176.35 177.28 2ja3 n ARG 709 N -0.53 0.68 -3.83 1.70 1.74 -1.26 -4.64 116.66 110.51 2ja3 n ARG 709 Ca 0.07 0.23 -0.10 0.00 -0.77 0.00 0.00 57.85 57.29 2ja3 n ARG 709 Cb 0.49 -1.71 -0.05 0.00 -1.02 0.00 0.00 32.46 30.17 2ja3 n ARG 709 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 2ja3 s GLN 710 N -2.57 1.29 -0.06 5.56 0.00 -1.26 -1.27 119.66 121.35 2ja3 s GLN 710 Ca -0.12 -0.99 -0.04 0.00 -0.00 0.00 0.00 55.36 54.20 2ja3 s GLN 710 Cb 0.07 0.46 0.03 0.00 0.00 0.00 0.00 33.01 33.57 2ja3 s GLN 710 CO 0.80 -0.52 0.16 0.00 0.00 0.00 0.00 175.29 175.72 2ja3 s LEU 712 N 0.54 4.29 -0.13 0.00 1.43 -0.97 -0.43 118.68 123.42 2ja3 s LEU 712 Ca -0.04 0.39 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 2ja3 s LEU 712 Cb -0.05 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 2ja3 s LEU 712 CO -0.03 0.26 0.09 -0.69 0.23 0.00 0.00 176.35 176.21 2ja3 s VAL 713 N -0.19 5.08 0.25 -1.59 1.01 0.10 -1.70 120.40 123.35 2ja3 s VAL 713 Ca 0.12 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.17 2ja3 s VAL 713 Cb -0.12 -3.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 2ja3 s VAL 713 CO 0.02 0.58 0.07 0.42 0.00 0.00 0.00 175.10 176.18 2ja3 s THR 714 N -0.65 0.66 -0.12 3.92 -4.23 -0.69 -0.77 115.64 113.75 2ja3 s THR 714 Ca 0.12 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.59 2ja3 s THR 714 Cb -0.12 -2.55 0.06 0.00 1.34 0.00 0.00 72.50 71.23 2ja3 s THR 714 CO 0.02 -0.10 0.16 -2.28 -0.54 0.00 0.00 174.62 171.88 2ja3 s HIS 715 N -3.68 -0.12 -1.60 3.99 5.65 0.53 -1.42 115.29 118.64 2ja3 s HIS 715 Ca 0.35 0.33 -0.15 0.00 0.25 0.00 0.00 55.06 55.84 2ja3 s HIS 715 Cb 0.07 -0.37 0.11 0.00 -1.18 0.00 0.00 32.58 31.21 2ja3 s HIS 715 CO 0.12 -0.39 0.88 0.09 -0.65 0.00 0.00 174.74 174.79 2ja3 n ASN 716 N 5.31 -3.95 0.00 9.88 3.02 -1.26 -1.09 115.26 127.17 2ja3 n ASN 716 Ca -0.05 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 2ja3 n ASN 716 Cb 0.50 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.27 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 -1.58 0.85 3.50 7.41 0.00 -1.26 -5.04 105.19 109.06 2ja3 n GLY 717 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.23 2.91 0.23 1.61 0.52 -0.25 -4.51 118.95 119.23 2ja3 s ARG 718 Ca 0.00 -0.62 -0.30 0.00 -0.52 0.00 0.00 55.73 54.29 2ja3 s ARG 718 Cb 0.00 -2.57 -0.09 0.00 0.52 0.00 0.00 34.95 32.81 2ja3 s ARG 718 CO 0.00 0.51 1.35 -1.17 0.02 0.00 0.00 175.30 176.01 2ja3 s LEU 719 N -0.41 4.41 -0.03 2.53 2.96 -0.64 -0.34 118.68 127.16 2ja3 s LEU 719 Ca 0.05 2.51 -0.01 0.00 -0.22 0.00 0.00 54.13 56.46 2ja3 s LEU 719 Cb -0.12 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.94 2ja3 s LEU 719 CO 0.02 -0.58 -0.04 0.18 -1.32 0.00 0.00 176.35 174.61 2ja3 n LEU 720 N 2.40 0.40 0.00 -0.68 4.77 0.05 -4.87 117.00 119.06 2ja3 n LEU 720 Ca 0.06 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2ja3 n LEU 720 Cb 0.42 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2ja3 n LEU 720 CO 0.59 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2ja3 n GLY 721 N 2.86 2.75 3.09 -0.72 0.00 -0.76 -4.63 105.19 107.78 2ja3 n GLY 721 Ca -0.06 -1.03 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.76 0.05 -0.06 -0.61 2.07 -0.63 -0.72 121.20 118.53 2ja3 s ILE 722 Ca 0.00 -0.38 0.02 0.00 -1.41 0.00 0.00 60.65 58.88 2ja3 s ILE 722 Cb 0.00 -0.36 0.01 0.00 0.13 0.00 0.00 42.46 42.24 2ja3 s ILE 722 CO 0.00 -0.21 -0.13 -0.63 -1.91 0.00 0.00 174.94 172.06 2ja3 s ILE 723 N -0.73 1.18 0.26 2.00 1.01 0.43 -2.02 121.20 123.34 2ja3 s ILE 723 Ca -0.08 -0.51 0.08 0.00 0.00 0.00 0.00 60.65 60.14 2ja3 s ILE 723 Cb -0.05 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.31 2ja3 s ILE 723 CO 0.01 0.36 0.12 0.42 0.00 0.00 0.00 174.94 175.86 2ja3 s THR 724 N 0.60 3.96 0.26 2.92 -4.23 -1.26 0.12 115.64 118.00 2ja3 s THR 724 Ca -0.14 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 58.73 2ja3 s THR 724 Cb -0.15 -3.16 0.28 0.00 1.34 0.00 0.00 72.50 70.80 2ja3 s THR 724 CO 0.04 -0.34 1.65 0.50 -0.54 0.00 0.00 174.62 175.92 2ja3 h LYS 725 N 1.63 0.17 -0.55 3.99 3.64 -1.45 0.14 116.57 124.14 2ja3 h LYS 725 Ca -0.46 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2ja3 h LYS 725 Cb 1.24 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 2ja3 h LYS 725 CO 0.61 0.11 0.33 -0.22 -2.27 0.00 0.00 179.45 178.01 2ja3 h LYS 726 N 0.17 0.75 -0.57 1.90 3.64 -1.95 -1.14 116.57 119.37 2ja3 h LYS 726 Ca 0.46 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.75 2ja3 h LYS 726 Cb 0.85 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 2ja3 h LYS 726 CO -0.63 0.52 0.24 -0.44 -2.27 0.00 0.00 179.45 176.87 2ja3 h ASP 727 N 0.76 0.74 -0.19 4.20 3.32 -1.11 0.70 116.42 124.84 2ja3 h ASP 727 Ca 0.20 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.10 2ja3 h ASP 727 Cb -0.03 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.33 2ja3 h ASP 727 CO -0.04 0.65 -0.14 0.58 -1.72 0.00 0.00 179.24 178.57 2ja3 h VAL 728 N 0.81 1.32 -0.77 -1.35 2.07 -0.97 -1.99 116.25 115.37 2ja3 h VAL 728 Ca 0.20 -1.26 0.01 0.00 0.82 0.00 0.00 66.70 66.46 2ja3 h VAL 728 Cb 0.14 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 2ja3 h VAL 728 CO -0.02 0.38 0.50 -0.07 0.02 0.00 0.00 177.57 178.38 2ja3 h LEU 729 N 0.09 0.89 -0.59 2.57 3.38 -0.70 -0.16 115.31 120.79 2ja3 h LEU 729 Ca 0.04 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2ja3 h LEU 729 Cb 0.66 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2ja3 h LEU 729 CO 0.04 0.65 -0.23 0.11 0.09 0.00 0.00 178.44 179.09 2ja3 h LYS 730 N 1.05 0.87 -0.31 1.13 1.57 -0.84 -2.11 116.57 117.93 2ja3 h LYS 730 Ca 0.28 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 2ja3 h LYS 730 Cb -0.11 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2ja3 h LYS 730 CO -0.06 1.01 -0.14 1.25 -0.57 0.00 0.00 179.45 180.94 2ja3 h HIS 731 N 0.75 0.58 0.05 -1.35 2.76 -0.46 -2.63 115.15 114.86 2ja3 h HIS 731 Ca 0.10 -0.10 -0.26 0.00 -2.20 0.00 0.00 60.37 57.91 2ja3 h HIS 731 Cb 0.78 -0.15 0.01 0.00 1.55 0.00 0.00 27.41 29.60 2ja3 h HIS 731 CO 0.05 0.66 -1.08 0.82 -1.30 0.00 0.00 177.93 177.07 2ja3 h ILE 732 N 0.49 1.37 0.00 6.26 2.04 -0.97 -3.23 117.51 123.48 2ja3 h ILE 732 Ca 0.09 -2.52 -0.06 0.00 1.00 0.00 0.00 64.86 63.37 2ja3 h ILE 732 Cb 0.53 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 2ja3 h ILE 732 CO 0.03 0.76 -0.28 0.00 0.00 0.00 0.00 178.15 178.66 2ja3 h ALA 733 N 0.56 1.30 0.00 1.87 0.00 -1.25 -0.29 119.26 121.44 2ja3 h ALA 733 Ca -0.12 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2ja3 h ALA 733 Cb 1.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2ja3 h ALA 733 CO 0.19 0.35 0.00 0.94 0.00 0.00 0.00 179.25 180.73 2ja3 n GLN 734 N -3.85 0.21 -0.03 0.00 7.27 -1.00 -2.85 117.38 117.13 2ja3 n GLN 734 Ca -0.02 0.36 -0.19 0.00 0.07 0.00 0.00 57.00 57.22 2ja3 n GLN 734 Cb 0.36 -1.84 -0.14 0.00 2.41 0.00 0.00 30.24 31.03 2ja3 n GLN 734 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 2ja3 n MET 735 N -2.22 0.72 -0.02 3.69 2.81 -0.24 -4.67 117.12 117.20 2ja3 n MET 735 Ca 0.03 0.23 -0.04 0.00 -1.81 0.00 0.00 57.70 56.12 2ja3 n MET 735 Cb 0.28 -1.67 -0.02 0.00 -0.71 0.00 0.00 33.22 31.10 2ja3 n MET 735 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2ja3 h ALA 736 N 0.14 -0.48 -1.86 3.04 0.00 -1.09 -3.31 119.26 115.70 2ja3 h ALA 736 Ca -0.46 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 53.77 2ja3 h ALA 736 Cb 2.01 0.74 -0.17 0.00 0.00 0.00 0.00 17.79 20.37 2ja3 h ALA 736 CO 0.05 -0.53 0.80 0.54 0.00 0.00 0.00 179.25 180.10 2ja3 s ASN 737 N -3.19 6.55 0.00 0.00 2.20 -1.24 -4.99 114.94 114.26 2ja3 s ASN 737 Ca -0.04 -1.86 0.00 0.00 -0.94 0.00 0.00 52.86 50.02 2ja3 s ASN 737 Cb 0.02 -2.41 0.00 0.00 -2.00 0.00 0.00 41.25 36.86 2ja3 s ASN 737 CO 0.15 -1.13 0.00 1.67 -2.94 0.00 0.00 177.10 174.84 2ja3 n GLN 738 N 6.80 0.00 0.00 3.55 -0.06 -1.25 -4.99 117.38 121.43 2ja3 n GLN 738 Ca 0.20 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 2ja3 n GLN 738 Cb 0.48 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.66 2ja3 n GLN 738 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 2ja3 n LEU 744 N 0.00 0.00 0.16 1.69 7.94 -1.26 -5.09 117.00 120.43 2ja3 n LEU 744 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 2ja3 n LEU 744 Cb 0.00 0.00 0.23 0.00 0.53 0.00 0.00 43.42 44.18 2ja3 n LEU 744 CO 0.00 0.00 0.57 0.15 -1.11 0.00 0.00 177.39 177.00 2ja3 h PHE 745 N 0.00 0.00 -0.90 1.96 3.04 -1.94 -3.17 116.94 115.93 2ja3 h PHE 745 Ca 0.00 0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.01 2ja3 h PHE 745 Cb 0.00 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.45 2ja3 h PHE 745 CO 0.00 0.52 0.57 -0.91 -2.02 0.00 0.00 178.31 176.47 2ja3 h ASN 746 N 0.00 0.90 0.14 0.41 4.21 -1.99 -2.16 115.58 117.10 2ja3 h ASN 746 Ca -0.01 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.50 2ja3 h ASN 746 Cb 1.02 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 38.04 2ja3 h ASN 746 CO 0.07 0.58 -0.07 -0.33 -1.29 0.00 0.00 177.43 176.38 2ja3 h GLU 747 N 1.04 0.00 -0.47 0.81 5.08 -1.97 -0.94 114.58 118.14 2ja3 h GLU 747 Ca 0.39 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.62 2ja3 h GLU 747 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2ja3 h GLU 747 CO -0.17 0.07 -0.22 0.35 -1.00 0.00 0.00 179.01 178.04 2ja3 h PHE 748 N 0.00 1.12 0.00 4.33 3.57 -1.52 -3.04 116.94 121.40 2ja3 h PHE 748 Ca -0.00 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 2ja3 h PHE 748 Cb 0.17 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.64 2ja3 h PHE 748 CO 0.00 1.09 -0.05 -0.07 -2.23 0.00 0.00 178.31 177.05 2ja3 h LEU 749 N 0.84 0.00 -2.46 0.59 3.38 -1.09 -2.01 115.31 114.55 2ja3 h LEU 749 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2ja3 h LEU 749 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2ja3 h LEU 749 CO 0.07 0.05 0.00 -0.33 0.09 0.00 0.00 178.44 178.32 2ja3 h GLU 750 N 0.00 0.00 -0.87 1.13 4.39 -1.36 -2.43 114.58 115.43 2ja3 h GLU 750 Ca -0.00 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.73 2ja3 h GLU 750 Cb 0.52 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.12 2ja3 h GLU 750 CO 0.01 0.00 0.57 0.28 -1.16 0.00 0.00 179.01 178.71 2ja3 h VAL 751 N 0.00 1.14 0.00 3.13 2.07 -1.51 -1.37 116.25 119.72 2ja3 h VAL 751 Ca 0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2ja3 h VAL 751 Cb 0.03 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 2ja3 h VAL 751 CO 0.00 0.20 0.00 -0.07 0.02 0.00 0.00 177.57 177.72 2ja3 h LEU 752 N 1.08 0.00 -1.56 2.57 3.38 -1.65 -3.51 115.31 115.63 2ja3 h LEU 752 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2ja3 h LEU 752 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2ja3 h LEU 752 CO -0.10 0.00 0.00 0.49 0.09 0.00 0.00 178.44 178.92