#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rj2 n GLU 625 N 0.00 0.00 -0.29 5.31 -0.58 -1.26 -3.87 120.64 119.95 1rj2 n GLU 625 Ca 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 1rj2 n GLU 625 Cb 0.00 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 30.94 1rj2 n GLU 625 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1rj2 n GLU 626 N 0.00 -0.12 -0.26 3.49 4.07 -1.26 0.80 120.64 127.35 1rj2 n GLU 626 Ca 0.00 1.20 0.04 0.00 -0.06 0.00 0.00 57.16 58.33 1rj2 n GLU 626 Cb 0.00 -1.78 0.26 0.00 -0.06 0.00 0.00 31.44 29.86 1rj2 n GLU 626 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1rj2 h GLU 627 N 0.00 0.95 -0.02 5.31 5.08 -2.00 -1.21 114.58 122.69 1rj2 h GLU 627 Ca 0.32 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 1rj2 h GLU 627 Cb 0.51 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1rj2 h GLU 627 CO -0.78 0.63 -0.17 0.77 -1.00 0.00 0.00 179.01 178.46 1rj2 h SER 628 N 0.98 0.18 0.63 1.42 0.02 0.28 -2.94 113.55 114.12 1rj2 h SER 628 Ca 0.35 -0.72 -0.03 0.00 -0.84 0.00 0.00 61.79 60.55 1rj2 h SER 628 Cb 0.13 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1rj2 h SER 628 CO -0.12 0.87 -0.34 -0.07 -1.14 0.00 0.00 176.83 176.03 1rj2 h LEU 629 N -0.50 -0.84 -0.99 5.07 3.38 -1.10 -2.20 115.31 118.13 1rj2 h LEU 629 Ca -0.02 0.04 0.29 0.00 0.09 0.00 0.00 57.88 58.29 1rj2 h LEU 629 Cb 0.88 0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.73 1rj2 h LEU 629 CO 0.03 -0.56 0.55 0.00 0.09 0.00 0.00 178.44 178.55 1rj2 h ALA 630 N -0.57 1.85 -0.11 1.53 0.00 -1.35 0.79 119.26 121.40 1rj2 h ALA 630 Ca -0.08 0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1rj2 h ALA 630 Cb 0.72 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1rj2 h ALA 630 CO 0.11 -0.48 -0.33 0.97 0.00 0.00 0.00 179.25 179.52 1rj2 h ILE 631 N 0.39 1.27 -0.23 0.00 2.10 -1.26 -1.59 117.51 118.19 1rj2 h ILE 631 Ca 0.69 -1.32 -0.17 0.00 1.08 0.00 0.00 64.86 65.14 1rj2 h ILE 631 Cb 1.50 1.56 0.00 0.00 -1.09 0.00 0.00 36.82 38.80 1rj2 h ILE 631 CO -0.57 0.40 -0.54 -0.07 -1.08 0.00 0.00 178.15 176.28 1rj2 h LEU 632 N 0.20 0.87 -0.83 2.19 3.38 0.11 -2.29 115.31 118.93 1rj2 h LEU 632 Ca 0.02 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.46 1rj2 h LEU 632 Cb 0.69 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1rj2 h LEU 632 CO 0.05 1.27 0.54 0.03 0.09 0.00 0.00 178.44 180.42 1rj2 h ARG 633 N 0.50 1.03 -0.35 1.13 3.08 -0.76 -0.14 114.38 118.87 1rj2 h ARG 633 Ca -0.00 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1rj2 h ARG 633 Cb 1.16 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.96 1rj2 h ARG 633 CO 0.12 0.68 0.04 -0.09 -1.07 0.00 0.00 179.97 179.65 1rj2 h ARG 634 N 1.06 0.53 -0.56 0.04 9.65 -1.21 -1.60 114.38 122.30 1rj2 h ARG 634 Ca 0.32 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 59.07 1rj2 h ARG 634 Cb -0.03 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.44 1rj2 h ARG 634 CO -0.10 0.53 0.23 0.45 2.80 0.00 0.00 179.97 183.88 1rj2 h HIS 635 N 0.52 0.85 -0.14 2.20 3.86 -0.45 -2.01 115.15 119.97 1rj2 h HIS 635 Ca 0.12 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1rj2 h HIS 635 Cb 0.28 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1rj2 h HIS 635 CO 0.01 0.68 0.03 0.28 0.86 0.00 0.00 177.93 179.79 1rj2 h VAL 636 N 0.77 1.20 -0.94 2.45 2.07 -0.90 -2.67 116.25 118.23 1rj2 h VAL 636 Ca 0.19 -0.62 0.21 0.00 0.82 0.00 0.00 66.70 67.30 1rj2 h VAL 636 Cb 0.19 1.35 -0.08 0.00 -1.52 0.00 0.00 31.29 31.23 1rj2 h VAL 636 CO -0.02 0.18 0.61 -0.03 0.02 0.00 0.00 177.57 178.34 1rj2 h MET 637 N 0.02 0.46 -0.33 1.57 -1.53 -1.11 0.15 114.93 114.16 1rj2 h MET 637 Ca 0.04 -0.03 -0.04 0.00 -3.44 0.00 0.00 59.70 56.24 1rj2 h MET 637 Cb 0.26 -0.10 -0.01 0.00 -0.55 0.00 0.00 31.60 31.19 1rj2 h MET 637 CO 0.00 0.31 0.05 -0.91 0.14 0.00 0.00 176.91 176.50 1rj2 h ASN 638 N 0.48 0.52 -0.07 1.39 2.35 -1.03 -0.94 115.58 118.28 1rj2 h ASN 638 Ca 0.50 -0.26 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 1rj2 h ASN 638 Cb 1.15 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 39.38 1rj2 h ASN 638 CO -0.22 0.65 0.02 -0.08 -1.65 0.00 0.00 177.43 176.15 1rj2 h GLU 639 N 0.37 0.10 -0.43 0.81 4.81 -0.59 1.03 114.58 120.69 1rj2 h GLU 639 Ca 0.10 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.39 1rj2 h GLU 639 Cb 0.35 -0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.64 1rj2 h GLU 639 CO 0.01 0.27 -0.05 1.25 -0.73 0.00 0.00 179.01 179.75 1rj2 h LEU 640 N -0.08 -0.28 -0.60 1.64 5.85 -0.96 0.36 115.31 121.24 1rj2 h LEU 640 Ca 0.02 0.11 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 1rj2 h LEU 640 Cb 0.20 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1rj2 h LEU 640 CO -0.00 -0.10 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.43 1rj2 h LEU 641 N 0.05 0.56 0.09 2.25 4.07 -0.90 -0.08 115.31 121.35 1rj2 h LEU 641 Ca 0.21 -0.28 -0.00 0.00 0.08 0.00 0.00 57.88 57.88 1rj2 h LEU 641 Cb 0.31 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.89 1rj2 h LEU 641 CO -0.39 0.97 -0.04 0.44 -1.08 0.00 0.00 178.44 178.33 1rj2 h ASP 642 N 0.40 -0.10 -0.62 -0.43 3.32 0.21 -2.26 116.42 116.94 1rj2 h ASP 642 Ca 0.02 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.70 1rj2 h ASP 642 Cb 1.02 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 1rj2 h ASP 642 CO 0.09 0.32 0.32 0.71 -1.72 0.00 0.00 179.24 178.96 1rj2 h THR 643 N -0.53 1.20 0.01 0.35 1.35 -0.37 -1.98 112.91 112.95 1rj2 h THR 643 Ca -0.01 -0.54 0.02 0.00 -0.55 0.00 0.00 66.41 65.33 1rj2 h THR 643 Cb 0.44 0.43 -0.05 0.00 -1.73 0.00 0.00 68.15 67.24 1rj2 h THR 643 CO 0.02 0.23 -0.52 -0.08 -0.25 0.00 0.00 175.52 174.92 1rj2 h GLU 644 N 0.84 -0.64 -0.80 4.72 4.57 -0.99 0.65 114.58 122.92 1rj2 h GLU 644 Ca 0.21 0.04 0.15 0.00 -1.18 0.00 0.00 59.36 58.58 1rj2 h GLU 644 Cb 0.07 0.15 -0.09 0.00 -0.16 0.00 0.00 28.75 28.71 1rj2 h GLU 644 CO -0.03 -0.43 0.37 0.00 -1.18 0.00 0.00 179.01 177.74 1rj2 h ARG 645 N -0.67 0.51 -0.45 1.92 3.08 -1.23 0.93 114.38 118.47 1rj2 h ARG 645 Ca 0.02 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1rj2 h ARG 645 Cb 0.72 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1rj2 h ARG 645 CO -0.34 0.34 0.22 0.00 -1.07 0.00 0.00 179.97 179.11 1rj2 h ALA 646 N 1.56 0.58 -0.33 0.04 0.00 -0.44 -1.27 119.26 119.40 1rj2 h ALA 646 Ca 0.44 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.30 1rj2 h ALA 646 Cb 0.65 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1rj2 h ALA 646 CO -0.39 0.14 -0.04 -0.92 0.00 0.00 0.00 179.25 178.05 1rj2 h TYR 647 N 0.59 -0.10 0.19 0.00 3.20 0.26 0.31 116.97 121.42 1rj2 h TYR 647 Ca 0.16 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 1rj2 h TYR 647 Cb 0.12 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 1rj2 h TYR 647 CO -0.01 -0.10 -0.15 0.28 -1.64 0.00 0.00 178.16 176.53 1rj2 h VAL 648 N 0.04 0.67 -0.57 1.81 2.07 -0.87 -1.00 116.25 118.40 1rj2 h VAL 648 Ca 0.16 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.77 1rj2 h VAL 648 Cb 0.23 0.67 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1rj2 h VAL 648 CO -0.30 0.00 0.18 -0.33 0.02 0.00 0.00 177.57 177.13 1rj2 h GLU 649 N -0.35 0.33 0.53 1.57 5.08 -0.58 -0.54 114.58 120.62 1rj2 h GLU 649 Ca -0.01 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1rj2 h GLU 649 Cb 0.32 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1rj2 h GLU 649 CO -0.02 0.22 -0.26 0.93 -1.00 0.00 0.00 179.01 178.88 1rj2 h GLU 650 N 0.34 -0.69 -0.58 2.33 5.08 -0.04 -0.96 114.58 120.06 1rj2 h GLU 650 Ca 0.29 0.05 0.08 0.00 -1.00 0.00 0.00 59.36 58.77 1rj2 h GLU 650 Cb 0.37 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 1rj2 h GLU 650 CO -0.32 -0.46 0.25 -0.07 -1.00 0.00 0.00 179.01 177.41 1rj2 h LEU 651 N -0.71 0.30 -0.27 1.33 3.38 -0.92 -2.65 115.31 115.76 1rj2 h LEU 651 Ca -0.07 0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1rj2 h LEU 651 Cb 0.55 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1rj2 h LEU 651 CO 0.11 0.19 0.00 0.25 0.09 0.00 0.00 178.44 179.09 1rj2 h LEU 652 N 0.46 -0.10 -2.11 1.67 5.85 -0.80 -1.39 115.31 118.89 1rj2 h LEU 652 Ca 0.28 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.04 1rj2 h LEU 652 Cb 0.29 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1rj2 h LEU 652 CO -0.25 -0.02 -0.08 0.00 -0.34 0.00 0.00 178.44 177.75 1rj2 h VAL 654 N 0.00 1.31 -0.09 0.00 2.07 -1.21 1.35 116.25 119.67 1rj2 h VAL 654 Ca -0.00 -2.58 -0.11 0.00 0.82 0.00 0.00 66.70 64.83 1rj2 h VAL 654 Cb 0.22 2.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1rj2 h VAL 654 CO 0.01 0.78 -0.44 -0.07 0.02 0.00 0.00 177.57 177.87 1rj2 h LEU 655 N 0.23 0.22 0.05 2.57 3.38 -0.47 0.41 115.31 121.69 1rj2 h LEU 655 Ca -0.19 -0.10 -0.21 0.00 0.09 0.00 0.00 57.88 57.47 1rj2 h LEU 655 Cb 1.97 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 1rj2 h LEU 655 CO 0.24 0.63 -1.12 -0.33 0.09 0.00 0.00 178.44 177.95 1rj2 h GLU 656 N 0.17 0.11 0.00 1.13 5.08 -0.99 0.18 114.58 120.26 1rj2 h GLU 656 Ca 0.01 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1rj2 h GLU 656 Cb 0.84 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1rj2 h GLU 656 CO 0.07 1.09 -0.42 0.78 -1.00 0.00 0.00 179.01 179.53 1rj2 h GLY 657 N -0.48 0.00 0.00 -3.84 0.00 0.18 -3.36 103.07 95.58 1rj2 h GLY 657 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1rj2 h GLY 657 CO -0.05 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.77 1rj2 n TYR 658 N -3.64 -0.33 0.06 5.60 4.02 0.14 -4.70 117.16 118.30 1rj2 n TYR 658 Ca -0.01 0.06 -0.13 0.00 -0.01 0.00 0.00 57.90 57.81 1rj2 n TYR 658 Cb 0.51 0.10 -0.06 0.00 -0.02 0.00 0.00 39.34 39.87 1rj2 n TYR 658 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rj2 h ALA 659 N 0.00 -0.63 -0.85 -0.72 0.00 -1.39 -0.42 119.26 115.25 1rj2 h ALA 659 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 54.99 1rj2 h ALA 659 Cb 0.00 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 1rj2 h ALA 659 CO 0.00 -0.93 0.55 0.00 0.00 0.00 0.00 179.25 178.87 1rj2 h ALA 660 N 0.02 1.80 0.00 0.00 0.00 -0.80 -1.08 119.26 119.21 1rj2 h ALA 660 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1rj2 h ALA 660 Cb 0.64 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1rj2 h ALA 660 CO -0.31 -0.01 -0.11 0.93 0.00 0.00 0.00 179.25 179.75 1rj2 h GLU 661 N 0.71 0.00 0.00 0.00 4.39 -1.23 -1.88 114.58 116.57 1rj2 h GLU 661 Ca 0.41 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.11 1rj2 h GLU 661 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 1rj2 h GLU 661 CO -0.17 0.11 0.00 0.52 -1.16 0.00 0.00 179.01 178.31 1rj2 h MET 662 N 0.00 0.00 -0.30 2.33 2.86 -0.63 -2.37 114.93 116.81 1rj2 h MET 662 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1rj2 h MET 662 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1rj2 h MET 662 CO 0.01 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 177.73 1rj2 n ASP 663 N -2.39 2.94 -4.57 1.22 8.00 -0.71 -4.91 116.55 116.13 1rj2 n ASP 663 Ca 0.02 -1.86 -0.42 0.00 0.71 0.00 0.00 54.79 53.23 1rj2 n ASP 663 Cb 0.24 -0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 1rj2 n ASP 663 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1rj2 s ASN 664 N -1.15 6.51 0.27 -2.24 3.04 -0.89 -4.94 114.94 115.53 1rj2 s ASN 664 Ca 0.28 0.21 -0.09 0.00 0.04 0.00 0.00 52.86 53.30 1rj2 s ASN 664 Cb 0.16 -2.40 0.43 0.00 -1.54 0.00 0.00 41.25 37.90 1rj2 s ASN 664 CO 0.22 -0.81 1.58 -0.65 -3.04 0.00 0.00 177.10 174.39 1rj2 h PRO 665 N 8.67 0.00 -0.60 0.43 0.11 -1.92 0.55 132.00 139.23 1rj2 h PRO 665 Ca -0.25 -0.00 0.17 0.00 0.11 0.00 0.00 66.00 66.04 1rj2 h PRO 665 Cb 1.09 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1rj2 h PRO 665 CO 0.94 0.00 0.44 -0.07 -0.21 0.00 0.00 178.00 179.10 1rj2 h LEU 666 N 0.00 0.00 0.00 2.35 3.38 -1.95 -0.19 115.31 118.90 1rj2 h LEU 666 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 1rj2 h LEU 666 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1rj2 h LEU 666 CO -0.94 0.00 -0.94 0.23 0.09 0.00 0.00 178.44 176.89 1rj2 n MET 667 N -4.32 0.48 -0.53 1.13 2.81 0.19 -4.40 117.12 112.47 1rj2 n MET 667 Ca 0.11 0.09 0.43 0.00 -1.81 0.00 0.00 57.70 56.52 1rj2 n MET 667 Cb 0.68 -1.75 0.75 0.00 -0.71 0.00 0.00 33.22 32.19 1rj2 n MET 667 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1rj2 h ALA 668 N 2.21 3.32 0.00 3.04 0.00 -0.44 0.18 119.26 127.57 1rj2 h ALA 668 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rj2 h ALA 668 Cb 0.89 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1rj2 h ALA 668 CO 0.00 -1.84 0.00 -2.39 0.00 0.00 0.00 179.25 175.02 1rj2 n HIS 669 N -4.23 0.00 -0.07 0.00 1.44 -1.26 -2.41 115.22 108.69 1rj2 n HIS 669 Ca 0.37 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.08 1rj2 n HIS 669 Cb 1.62 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.73 1rj2 n HIS 669 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1rj2 n LEU 670 N -0.86 1.18 -3.98 2.39 4.77 0.62 -4.99 117.00 116.12 1rj2 n LEU 670 Ca 0.13 -1.18 -0.26 0.00 -0.03 0.00 0.00 56.01 54.68 1rj2 n LEU 670 Cb 0.06 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 40.98 1rj2 n LEU 670 CO 0.10 0.29 -0.46 -0.51 -1.33 0.00 0.00 177.39 175.49 1rj2 s ILE 671 N -0.25 1.11 0.61 -0.08 2.07 -1.01 -3.38 121.20 120.28 1rj2 s ILE 671 Ca 0.00 -0.41 -0.18 0.00 -1.41 0.00 0.00 60.65 58.65 1rj2 s ILE 671 Cb 0.00 -1.06 -0.05 0.00 0.13 0.00 0.00 42.46 41.48 1rj2 s ILE 671 CO 0.00 0.36 0.89 -0.24 -1.91 0.00 0.00 174.94 174.04 1rj2 n SER 672 N 4.29 0.43 0.28 4.50 2.88 -1.26 -4.85 113.62 119.90 1rj2 n SER 672 Ca -0.19 0.78 0.19 0.00 -1.33 0.00 0.00 58.87 58.32 1rj2 n SER 672 Cb 0.51 -1.36 1.01 0.00 -0.75 0.00 0.00 64.21 63.62 1rj2 n SER 672 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1rj2 h THR 673 N 0.36 0.00 0.00 2.46 1.35 -2.00 -2.70 112.91 112.38 1rj2 h THR 673 Ca -0.48 -0.03 -0.25 0.00 -0.55 0.00 0.00 66.41 65.10 1rj2 h THR 673 Cb 1.37 0.88 -0.04 0.00 -1.73 0.00 0.00 68.15 68.63 1rj2 h THR 673 CO 0.50 0.00 -1.61 0.61 -0.25 0.00 0.00 175.52 174.77 1rj2 n GLY 674 N -1.07 -0.66 0.35 5.82 0.00 -1.26 -4.32 105.19 104.05 1rj2 n GLY 674 Ca -0.02 -0.09 0.21 0.00 0.00 0.00 0.00 46.02 46.11 1rj2 n GLY 674 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rj2 h LEU 675 N -1.00 0.60 -1.25 0.99 5.85 -1.92 1.04 115.31 119.63 1rj2 h LEU 675 Ca -0.38 0.16 0.30 0.00 0.84 0.00 0.00 57.88 58.79 1rj2 h LEU 675 Cb 1.26 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 42.25 1rj2 h LEU 675 CO -0.23 0.01 0.67 -0.61 -0.34 0.00 0.00 178.44 177.94 1rj2 h GLN 676 N 0.47 0.36 0.08 1.25 -0.00 -1.67 0.61 115.11 116.21 1rj2 h GLN 676 Ca 0.68 -0.02 -0.25 0.00 -0.00 0.00 0.00 58.65 59.06 1rj2 h GLN 676 Cb 1.43 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.82 1rj2 h GLN 676 CO -0.52 0.24 -1.15 -0.91 0.00 0.00 0.00 178.83 176.49 1rj2 h ASN 677 N 0.37 0.28 0.00 -0.69 -0.26 0.93 -3.24 115.58 112.98 1rj2 h ASN 677 Ca 0.66 -0.30 0.00 0.00 -0.56 0.00 0.00 56.30 56.10 1rj2 h ASN 677 Cb 1.65 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.82 1rj2 h ASN 677 CO -0.40 1.23 0.00 0.29 -1.06 0.00 0.00 177.43 177.49 1rj2 n LYS 678 N -3.48 0.08 -0.33 0.81 4.76 0.21 -3.67 118.16 116.54 1rj2 n LYS 678 Ca -0.06 0.00 0.20 0.00 -2.87 0.00 0.00 58.31 55.58 1rj2 n LYS 678 Cb 0.99 -1.26 0.45 0.00 -1.84 0.00 0.00 35.03 33.37 1rj2 n LYS 678 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1rj2 h LYS 679 N 0.00 0.48 0.17 1.97 3.64 -1.56 0.16 116.57 121.43 1rj2 h LYS 679 Ca 0.00 -0.03 -0.34 0.00 -1.27 0.00 0.00 60.65 59.01 1rj2 h LYS 679 Cb 0.00 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 1rj2 h LYS 679 CO 0.00 0.32 -1.70 -0.91 -2.27 0.00 0.00 179.45 174.89 1rj2 h ASN 680 N 0.49 0.55 -0.68 4.20 2.35 -1.90 -1.84 115.58 118.75 1rj2 h ASN 680 Ca 0.60 -0.82 0.08 0.00 -0.55 0.00 0.00 56.30 55.61 1rj2 h ASN 680 Cb 1.34 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 39.49 1rj2 h ASN 680 CO -0.36 1.69 0.45 0.40 -1.65 0.00 0.00 177.43 177.96 1rj2 h ILE 681 N 0.10 0.97 0.22 2.81 1.08 -1.55 1.40 117.51 122.53 1rj2 h ILE 681 Ca -0.32 -0.22 -0.30 0.00 -0.39 0.00 0.00 64.86 63.63 1rj2 h ILE 681 Cb 2.08 0.28 0.03 0.00 -3.07 0.00 0.00 36.82 36.14 1rj2 h ILE 681 CO 0.17 0.12 -1.36 0.25 -0.69 0.00 0.00 178.15 176.64 1rj2 h LEU 682 N 0.63 0.72 0.00 1.44 5.85 -0.76 -3.30 115.31 119.89 1rj2 h LEU 682 Ca 0.30 -0.93 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1rj2 h LEU 682 Cb 0.36 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1rj2 h LEU 682 CO -0.10 1.65 -1.47 0.49 -0.34 0.00 0.00 178.44 178.67 1rj2 n PHE 683 N -3.81 0.44 -4.92 1.25 3.01 -0.69 -4.86 117.46 107.87 1rj2 n PHE 683 Ca -0.18 0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1rj2 n PHE 683 Cb 1.03 -0.68 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 1rj2 n PHE 683 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rj2 n GLY 684 N 1.24 0.90 1.74 1.37 0.00 0.48 -2.41 105.19 108.51 1rj2 n GLY 684 Ca -0.02 -0.67 -0.14 0.00 0.00 0.00 0.00 46.02 45.19 1rj2 n GLY 684 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rj2 n ASN 685 N -2.69 4.74 -0.22 1.61 2.04 -1.26 -4.51 115.26 114.97 1rj2 n ASN 685 Ca 0.00 -2.93 0.01 0.00 -0.44 0.00 0.00 54.58 51.23 1rj2 n ASN 685 Cb 0.00 -0.84 0.13 0.00 -2.53 0.00 0.00 39.78 36.54 1rj2 n ASN 685 CO 0.00 0.00 0.00 -0.03 -0.44 0.00 0.00 177.26 176.79 1rj2 h MET 686 N 0.93 0.42 -0.26 -3.83 4.05 -1.88 -0.44 114.93 113.92 1rj2 h MET 686 Ca 0.31 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.74 1rj2 h MET 686 Cb 1.48 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 32.16 1rj2 h MET 686 CO 0.65 0.28 0.04 1.49 0.23 0.00 0.00 176.91 179.60 1rj2 h GLU 687 N 0.43 0.13 -0.62 0.39 4.81 -1.85 0.49 114.58 118.35 1rj2 h GLU 687 Ca 0.34 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.66 1rj2 h GLU 687 Cb 0.44 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.72 1rj2 h GLU 687 CO -0.33 0.09 0.24 1.49 -0.73 0.00 0.00 179.01 179.76 1rj2 h GLU 688 N 0.13 0.41 -0.43 1.92 4.81 -1.61 0.83 114.58 120.65 1rj2 h GLU 688 Ca 0.12 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1rj2 h GLU 688 Cb 0.13 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 1rj2 h GLU 688 CO -0.17 0.27 0.14 0.82 -0.73 0.00 0.00 179.01 179.34 1rj2 h ILE 689 N 0.42 1.22 -0.13 2.32 2.04 -0.21 -2.43 117.51 120.75 1rj2 h ILE 689 Ca 0.32 -0.71 0.03 0.00 1.00 0.00 0.00 64.86 65.49 1rj2 h ILE 689 Cb 0.39 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1rj2 h ILE 689 CO -0.31 0.25 -0.04 0.22 0.00 0.00 0.00 178.15 178.28 1rj2 h TYR 690 N 0.55 -0.08 -0.88 1.37 3.20 0.18 -1.88 116.97 119.43 1rj2 h TYR 690 Ca 0.14 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.04 1rj2 h TYR 690 Cb 0.25 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.53 1rj2 h TYR 690 CO 0.01 -0.06 0.58 0.45 -1.64 0.00 0.00 178.16 177.50 1rj2 h HIS 691 N -0.01 1.09 0.49 -3.82 3.86 -0.84 0.74 115.15 116.66 1rj2 h HIS 691 Ca 0.06 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1rj2 h HIS 691 Cb 0.10 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 1rj2 h HIS 691 CO -0.17 0.65 -0.43 0.35 0.86 0.00 0.00 177.93 179.19 1rj2 h PHE 692 N 1.15 -1.17 0.00 2.45 3.57 -0.90 0.56 116.94 122.60 1rj2 h PHE 692 Ca 0.34 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 1rj2 h PHE 692 Cb -0.06 0.45 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 1rj2 h PHE 692 CO -0.01 -0.60 -0.14 0.45 -2.23 0.00 0.00 178.31 175.77 1rj2 h HIS 693 N -0.91 0.00 0.15 0.41 3.86 -1.14 0.12 115.15 117.64 1rj2 h HIS 693 Ca -0.05 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.91 1rj2 h HIS 693 Cb 0.79 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.27 1rj2 h HIS 693 CO -0.20 0.14 -1.20 -0.97 0.86 0.00 0.00 177.93 176.57 1rj2 h ASN 694 N 0.00 0.48 0.54 2.45 -0.00 -0.28 -2.14 115.58 116.63 1rj2 h ASN 694 Ca -0.00 -0.91 -0.29 0.00 -0.00 0.00 0.00 56.30 55.11 1rj2 h ASN 694 Cb 0.30 -0.16 -0.04 0.00 -0.00 0.00 0.00 38.32 38.42 1rj2 h ASN 694 CO 0.02 1.55 -1.59 0.03 -0.00 0.00 0.00 177.43 177.44 1rj2 h ARG 695 N -0.26 0.06 0.00 6.67 2.47 0.17 -3.44 114.38 120.05 1rj2 h ARG 695 Ca -0.24 -0.10 0.00 0.00 -1.26 0.00 0.00 59.98 58.38 1rj2 h ARG 695 Cb 1.78 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 30.13 1rj2 h ARG 695 CO 0.13 0.73 -0.03 -0.89 0.56 0.00 0.00 179.97 180.47 1rj2 n ILE 696 N -3.20 0.13 -0.11 2.04 -0.00 0.38 -4.77 119.36 113.83 1rj2 n ILE 696 Ca -0.15 0.15 -0.06 0.00 -0.00 0.00 0.00 62.75 62.69 1rj2 n ILE 696 Cb 1.03 -1.20 0.01 0.00 -0.00 0.00 0.00 39.64 39.48 1rj2 n ILE 696 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.55 176.70 1rj2 h PHE 697 N -0.03 -0.50 0.06 1.39 3.57 -1.56 -1.26 116.94 118.61 1rj2 h PHE 697 Ca 0.00 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.56 1rj2 h PHE 697 Cb 0.03 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1rj2 h PHE 697 CO -0.01 -0.28 -0.15 1.25 -2.23 0.00 0.00 178.31 176.89 1rj2 h LEU 698 N -0.13 -0.43 -0.78 0.59 6.46 -1.64 0.18 115.31 119.55 1rj2 h LEU 698 Ca 0.19 0.05 0.15 0.00 -0.12 0.00 0.00 57.88 58.15 1rj2 h LEU 698 Cb 0.42 0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 40.43 1rj2 h LEU 698 CO -0.47 -0.22 0.32 -0.09 -0.62 0.00 0.00 178.44 177.37 1rj2 h ARG 699 N -0.29 0.44 -0.05 1.25 1.12 -1.70 -0.36 114.38 114.79 1rj2 h ARG 699 Ca 0.03 -0.03 -0.14 0.00 -1.11 0.00 0.00 59.98 58.73 1rj2 h ARG 699 Cb 0.32 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.17 1rj2 h ARG 699 CO -0.10 0.29 -0.61 0.93 -3.11 0.00 0.00 179.97 177.37 1rj2 h GLU 700 N 0.46 0.19 -0.17 0.20 5.08 -0.45 -2.92 114.58 116.97 1rj2 h GLU 700 Ca 0.44 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 1rj2 h GLU 700 Cb 0.68 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1rj2 h GLU 700 CO -0.42 0.74 -0.52 -0.07 -1.00 0.00 0.00 179.01 177.74 1rj2 h LEU 701 N 0.14 0.52 -1.32 1.33 3.38 0.59 -2.97 115.31 116.98 1rj2 h LEU 701 Ca -0.01 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.64 1rj2 h LEU 701 Cb 1.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1rj2 h LEU 701 CO 0.09 0.95 -0.26 -0.33 0.09 0.00 0.00 178.44 178.97 1rj2 h GLU 702 N 0.37 0.00 -0.51 1.13 5.08 -1.00 -2.67 114.58 116.97 1rj2 h GLU 702 Ca 0.01 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1rj2 h GLU 702 Cb 1.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1rj2 h GLU 702 CO 0.09 0.26 0.34 0.66 -1.00 0.00 0.00 179.01 179.37 1rj2 h SER 703 N 0.00 0.46 0.00 1.42 4.64 -1.34 -0.91 113.55 117.81 1rj2 h SER 703 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1rj2 h SER 703 Cb 0.66 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 1rj2 h SER 703 CO 0.03 0.31 0.00 0.00 -0.87 0.00 0.00 176.83 176.30 1rj2 h ILE 705 N 0.00 0.81 0.00 0.00 -0.00 -1.30 0.18 117.51 117.21 1rj2 h ILE 705 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 64.86 64.61 1rj2 h ILE 705 Cb 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 36.82 36.85 1rj2 h ILE 705 CO 0.00 0.13 -0.43 0.44 -0.00 0.00 0.00 178.15 178.29 1rj2 h ASP 706 N 0.72 0.00 -1.99 2.19 3.32 -1.83 -3.38 116.42 115.45 1rj2 h ASP 706 Ca 0.48 -0.13 -0.49 0.00 0.02 0.00 0.00 57.03 56.91 1rj2 h ASP 706 Cb 0.75 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.90 1rj2 h ASP 706 CO -0.24 0.06 -1.15 0.00 -1.72 0.00 0.00 179.24 176.20 1rj2 h PRO 708 N 3.00 0.00 -0.24 0.00 0.13 -1.43 -1.39 132.00 132.07 1rj2 h PRO 708 Ca 0.10 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.28 1rj2 h PRO 708 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 1rj2 h PRO 708 CO 0.53 0.00 0.17 0.93 -0.23 0.00 0.00 178.00 179.40 1rj2 h GLU 709 N 0.00 0.06 -0.64 0.86 3.07 -1.90 -2.06 114.58 113.97 1rj2 h GLU 709 Ca 0.35 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 1rj2 h GLU 709 Cb 1.56 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.46 1rj2 h GLU 709 CO -0.00 0.04 0.00 1.47 -1.40 0.00 0.00 179.01 179.12 1rj2 n LEU 710 N -4.48 4.76 0.08 1.33 -0.00 -0.52 -4.28 117.00 113.89 1rj2 n LEU 710 Ca 0.02 -2.41 0.10 0.00 -0.00 0.00 0.00 56.01 53.72 1rj2 n LEU 710 Cb 0.27 -0.62 0.43 0.00 -0.00 0.00 0.00 43.42 43.50 1rj2 n LEU 710 CO 0.35 0.62 0.82 0.55 -0.00 0.00 0.00 177.39 179.72 1rj2 n VAL 711 N 0.67 0.85 0.40 1.47 3.14 -0.78 -2.17 118.33 121.92 1rj2 n VAL 711 Ca 0.23 0.21 0.10 0.00 -2.96 0.00 0.00 64.34 61.92 1rj2 n VAL 711 Cb 0.97 -1.06 0.43 0.00 -1.06 0.00 0.00 33.84 33.12 1rj2 n VAL 711 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1rj2 n GLY 712 N 0.10 -1.15 0.22 7.55 0.00 -1.26 -2.55 105.19 108.09 1rj2 n GLY 712 Ca 0.03 0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 1rj2 n GLY 712 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1rj2 h ARG 713 N 0.00 0.75 0.67 1.61 9.65 -1.74 -2.90 114.38 122.41 1rj2 h ARG 713 Ca 0.00 -0.45 -0.03 0.00 -1.10 0.00 0.00 59.98 58.40 1rj2 h ARG 713 Cb 0.30 0.04 -0.00 0.00 -1.39 0.00 0.00 29.97 28.92 1rj2 h ARG 713 CO 0.00 1.07 -0.41 0.00 2.80 0.00 0.00 179.97 183.43 1rj2 h PHE 715 N -1.01 0.22 0.67 0.00 -1.00 -1.65 -1.84 116.94 112.33 1rj2 h PHE 715 Ca -0.09 0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.70 1rj2 h PHE 715 Cb 0.81 0.02 0.01 0.00 3.61 0.00 0.00 35.95 40.40 1rj2 h PHE 715 CO -0.07 -0.13 -0.32 -0.07 -1.61 0.00 0.00 178.31 176.11 1rj2 h LEU 716 N 0.23 -0.76 -0.09 1.54 3.38 -1.28 -2.60 115.31 115.73 1rj2 h LEU 716 Ca 0.43 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1rj2 h LEU 716 Cb 0.76 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1rj2 h LEU 716 CO -0.56 -0.55 0.20 -0.62 0.09 0.00 0.00 178.44 177.01 1rj2 n GLU 717 N -4.42 0.01 -0.05 1.13 1.02 0.15 -1.36 120.64 117.12 1rj2 n GLU 717 Ca -0.11 0.33 0.04 0.00 -0.02 0.00 0.00 57.16 57.40 1rj2 n GLU 717 Cb 0.36 -1.73 0.05 0.00 -0.02 0.00 0.00 31.44 30.10 1rj2 n GLU 717 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1rj2 n ARG 718 N -1.38 2.05 0.27 3.49 5.12 -0.75 -4.72 116.66 120.74 1rj2 n ARG 718 Ca -0.00 -1.80 0.18 0.00 -1.93 0.00 0.00 57.85 54.29 1rj2 n ARG 718 Cb 0.20 -1.13 0.93 0.00 -1.16 0.00 0.00 32.46 31.31 1rj2 n ARG 718 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 1rj2 h MET 719 N 0.00 0.00 -0.30 5.56 2.86 -0.85 0.17 114.93 122.38 1rj2 h MET 719 Ca 0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 1rj2 h MET 719 Cb 0.75 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 1rj2 h MET 719 CO 0.00 0.00 -0.36 1.49 1.06 0.00 0.00 176.91 179.10 1rj2 h GLU 720 N 0.00 0.78 -0.33 1.72 4.81 -1.84 -2.89 114.58 116.83 1rj2 h GLU 720 Ca 0.04 -0.43 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 1rj2 h GLU 720 Cb 0.28 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1rj2 h GLU 720 CO -0.00 1.06 -0.15 0.93 -0.73 0.00 0.00 179.01 180.12 1rj2 h GLU 721 N 0.54 0.58 0.00 1.92 3.07 -1.07 -2.63 114.58 117.00 1rj2 h GLU 721 Ca 0.04 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 1rj2 h GLU 721 Cb 0.95 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 1rj2 h GLU 721 CO 0.09 0.71 0.00 1.19 -1.40 0.00 0.00 179.01 179.60 1rj2 n PHE 722 N -4.17 0.72 0.28 4.33 3.01 -0.39 -2.02 117.46 119.21 1rj2 n PHE 722 Ca 0.01 0.35 0.18 0.00 1.01 0.00 0.00 57.45 59.00 1rj2 n PHE 722 Cb 0.36 -1.06 0.94 0.00 -0.01 0.00 0.00 39.48 39.71 1rj2 n PHE 722 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1rj2 h GLN 723 N 0.00 0.00 -0.37 -1.08 4.20 -1.44 -0.18 115.11 116.24 1rj2 h GLN 723 Ca 0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1rj2 h GLN 723 Cb 0.08 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 1rj2 h GLN 723 CO 0.00 0.00 0.26 -0.84 -0.67 0.00 0.00 178.83 177.58 1rj2 h ILE 724 N 0.00 0.86 -0.08 2.54 3.07 -1.64 -0.26 117.51 121.99 1rj2 h ILE 724 Ca 0.04 -0.03 -0.06 0.00 1.55 0.00 0.00 64.86 66.36 1rj2 h ILE 724 Cb 0.38 0.77 -0.01 0.00 -0.27 0.00 0.00 36.82 37.69 1rj2 h ILE 724 CO -0.00 0.02 -0.21 1.88 -1.05 0.00 0.00 178.15 178.79 1rj2 h TYR 725 N 0.08 0.14 -0.38 0.16 -1.99 -1.27 -1.20 116.97 112.50 1rj2 h TYR 725 Ca 0.17 -0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.79 1rj2 h TYR 725 Cb 0.58 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.26 1rj2 h TYR 725 CO -0.00 0.34 -0.13 0.93 -0.00 0.00 0.00 178.16 179.30 1rj2 h GLU 726 N 0.12 0.77 -0.56 4.88 5.08 -1.19 -1.48 114.58 122.20 1rj2 h GLU 726 Ca 0.02 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.04 1rj2 h GLU 726 Cb 0.44 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1rj2 h GLU 726 CO 0.03 0.92 0.21 -0.22 -1.00 0.00 0.00 179.01 178.95 1rj2 h LYS 727 N 0.57 0.84 -0.49 2.33 3.64 -1.32 -1.02 116.57 121.12 1rj2 h LYS 727 Ca 0.09 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1rj2 h LYS 727 Cb 0.66 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 1rj2 h LYS 727 CO 0.05 0.74 0.29 -0.92 -2.27 0.00 0.00 179.45 177.33 1rj2 h TYR 728 N 0.77 0.65 -0.45 1.91 3.20 -1.03 -2.73 116.97 119.28 1rj2 h TYR 728 Ca 0.18 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.93 1rj2 h TYR 728 Cb 0.22 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 1rj2 h TYR 728 CO 0.01 0.46 -0.17 0.00 -1.64 0.00 0.00 178.16 176.82 1rj2 h GLN 730 N 0.76 0.56 0.01 0.00 4.20 -0.99 -1.28 115.11 118.36 1rj2 h GLN 730 Ca 0.11 -0.03 -0.19 0.00 0.06 0.00 0.00 58.65 58.59 1rj2 h GLN 730 Cb 0.74 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1rj2 h GLN 730 CO 0.06 0.37 -0.89 -0.97 -0.67 0.00 0.00 178.83 176.73 1rj2 h ASN 731 N 0.57 0.13 -0.89 1.46 -0.73 -1.43 -3.37 115.58 111.32 1rj2 h ASN 731 Ca 0.41 -0.11 0.18 0.00 1.87 0.00 0.00 56.30 58.65 1rj2 h ASN 731 Cb 0.54 -0.04 -0.17 0.00 0.27 0.00 0.00 38.32 38.92 1rj2 h ASN 731 CO -0.34 0.95 -0.22 1.17 -0.37 0.00 0.00 177.43 178.63 1rj2 n LYS 732 N -3.58 -0.08 -0.05 6.67 3.00 -0.48 -0.85 118.16 122.79 1rj2 n LYS 732 Ca -0.02 1.38 -0.08 0.00 -0.00 0.00 0.00 58.31 59.59 1rj2 n LYS 732 Cb 0.83 -2.07 -0.02 0.00 0.00 0.00 0.00 35.03 33.77 1rj2 n LYS 732 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1rj2 h PRO 733 N 0.00 0.05 -0.84 1.64 0.13 -1.73 -0.14 132.00 131.11 1rj2 h PRO 733 Ca 0.43 -0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.60 1rj2 h PRO 733 Cb 0.66 -0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.73 1rj2 h PRO 733 CO -0.91 0.03 0.53 -0.09 -0.23 0.00 0.00 178.00 177.33 1rj2 h ARG 734 N 0.05 1.00 -0.06 0.86 2.43 -1.26 -0.62 114.38 116.78 1rj2 h ARG 734 Ca 0.11 -0.06 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1rj2 h ARG 734 Cb 0.15 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 1rj2 h ARG 734 CO -0.20 0.66 -0.26 1.03 -1.51 0.00 0.00 179.97 179.69 1rj2 h SER 735 N 1.03 -0.79 -0.89 -3.80 0.87 -0.75 -0.60 113.55 108.62 1rj2 h SER 735 Ca 0.34 0.12 0.17 0.00 -1.23 0.00 0.00 61.79 61.19 1rj2 h SER 735 Cb 0.04 0.33 -0.07 0.00 -0.44 0.00 0.00 62.40 62.26 1rj2 h SER 735 CO -0.13 -0.32 0.58 -0.33 -0.53 0.00 0.00 176.83 176.11 1rj2 h GLU 736 N -0.36 0.54 -0.05 2.24 5.08 -0.06 0.53 114.58 122.49 1rj2 h GLU 736 Ca 0.08 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1rj2 h GLU 736 Cb 0.48 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1rj2 h GLU 736 CO -0.27 0.36 0.01 0.77 -1.00 0.00 0.00 179.01 178.88 1rj2 h SER 737 N 0.56 0.08 -0.49 1.42 0.02 0.15 -0.64 113.55 114.64 1rj2 h SER 737 Ca 0.46 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1rj2 h SER 737 Cb 0.93 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1rj2 h SER 737 CO -0.20 0.29 0.26 0.25 -1.14 0.00 0.00 176.83 176.28 1rj2 h LEU 738 N -0.13 0.62 -1.08 5.07 5.85 0.46 -2.25 115.31 123.84 1rj2 h LEU 738 Ca 0.02 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 1rj2 h LEU 738 Cb 0.24 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1rj2 h LEU 738 CO 0.00 0.55 -0.09 -0.25 -0.34 0.00 0.00 178.44 178.31 1rj2 h TRP 739 N 0.65 0.58 -0.13 1.25 2.91 0.04 -1.60 115.95 119.65 1rj2 h TRP 739 Ca 0.17 -0.08 -0.05 0.00 1.13 0.00 0.00 58.89 60.06 1rj2 h TRP 739 Cb 0.07 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 28.56 1rj2 h TRP 739 CO -0.01 0.62 -0.16 -0.09 -1.03 0.00 0.00 178.44 177.77 1rj2 h ARG 740 N 0.50 0.21 -0.01 2.65 2.43 -0.75 -0.14 114.38 119.28 1rj2 h ARG 740 Ca 0.10 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1rj2 h ARG 740 Cb 0.47 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1rj2 h ARG 740 CO 0.03 0.38 -0.21 0.94 -1.51 0.00 0.00 179.97 179.60 1rj2 n GLN 741 N -4.26 0.80 -0.43 0.20 -0.06 -0.64 -4.41 117.38 108.59 1rj2 n GLN 741 Ca -0.01 -0.42 0.00 0.00 -2.00 0.00 0.00 57.00 54.57 1rj2 n GLN 741 Cb 0.28 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.97 1rj2 n GLN 741 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1rj2 h SER 743 N 0.00 0.00 1.30 0.00 4.64 -1.23 -2.17 113.55 116.09 1rj2 h SER 743 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1rj2 h SER 743 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 1rj2 h SER 743 CO 0.00 0.06 -0.42 -2.24 -0.87 0.00 0.00 176.83 173.35 1rj2 h ASP 744 N 0.00 0.00 -0.65 4.97 2.03 -1.92 -3.45 116.42 117.41 1rj2 h ASP 744 Ca -0.00 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 55.81 1rj2 h ASP 744 Cb 0.13 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.68 1rj2 h ASP 744 CO 0.01 0.42 -0.09 0.00 -1.03 0.00 0.00 179.24 178.56 1rj2 h PRO 746 N 1.53 0.13 -1.00 0.00 0.11 -1.90 -2.70 132.00 128.17 1rj2 h PRO 746 Ca -0.28 -0.01 0.13 0.00 0.11 0.00 0.00 66.00 65.95 1rj2 h PRO 746 Cb 0.93 -0.03 -0.15 0.00 0.11 0.00 0.00 31.00 31.86 1rj2 h PRO 746 CO 0.41 0.09 -0.46 0.35 -0.21 0.00 0.00 178.00 178.17 1rj2 h PHE 747 N 0.14 -1.40 -0.18 0.65 3.57 -1.87 -0.52 116.94 117.33 1rj2 h PHE 747 Ca 0.32 0.12 -0.00 0.00 3.53 0.00 0.00 57.97 61.93 1rj2 h PHE 747 Cb 0.52 0.75 -0.01 0.00 2.79 0.00 0.00 35.95 40.00 1rj2 h PHE 747 CO -0.34 -0.39 0.10 0.74 -2.23 0.00 0.00 178.31 176.18 1rj2 h PHE 748 N -0.00 0.25 -0.84 0.41 -1.00 -1.81 -1.92 116.94 112.03 1rj2 h PHE 748 Ca 0.28 -0.01 0.18 0.00 2.81 0.00 0.00 57.97 61.23 1rj2 h PHE 748 Cb 0.53 -0.08 -0.11 0.00 3.61 0.00 0.00 35.95 39.90 1rj2 h PHE 748 CO -0.93 0.25 0.35 1.96 -1.61 0.00 0.00 178.31 178.32 1rj2 h GLN 749 N 0.18 0.41 0.70 1.51 4.20 -1.16 -0.28 115.11 120.66 1rj2 h GLN 749 Ca 0.06 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1rj2 h GLN 749 Cb 0.08 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 27.78 1rj2 h GLN 749 CO -0.01 0.27 -0.33 1.49 -0.67 0.00 0.00 178.83 179.58 1rj2 h GLU 750 N 0.42 -0.90 -1.02 1.46 4.57 -0.78 -2.34 114.58 116.00 1rj2 h GLU 750 Ca 0.50 0.06 0.28 0.00 -1.18 0.00 0.00 59.36 59.01 1rj2 h GLU 750 Cb 0.86 0.20 -0.13 0.00 -0.16 0.00 0.00 28.75 29.53 1rj2 h GLU 750 CO -0.48 -0.57 0.60 0.00 -1.18 0.00 0.00 179.01 177.38 1rj2 h GLN 752 N 0.47 0.91 0.66 0.00 4.15 -0.92 -1.42 115.11 118.97 1rj2 h GLN 752 Ca 0.67 -0.24 -0.03 0.00 0.77 0.00 0.00 58.65 59.82 1rj2 h GLN 752 Cb 1.43 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 29.01 1rj2 h GLN 752 CO -0.49 0.88 -0.39 0.87 -1.93 0.00 0.00 178.83 177.77 1rj2 h LYS 753 N 0.81 -0.94 -0.99 1.69 1.57 -0.14 0.17 116.57 118.74 1rj2 h LYS 753 Ca 0.17 0.06 0.33 0.00 -1.87 0.00 0.00 60.65 59.34 1rj2 h LYS 753 Cb 0.40 0.21 -0.15 0.00 0.08 0.00 0.00 32.23 32.77 1rj2 h LYS 753 CO 0.01 -0.63 0.50 0.87 -0.57 0.00 0.00 179.45 179.63 1rj2 h LYS 754 N -0.98 0.23 0.00 3.15 1.57 -1.30 1.56 116.57 120.80 1rj2 h LYS 754 Ca -0.09 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1rj2 h LYS 754 Cb 0.78 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.03 1rj2 h LYS 754 CO 0.10 0.15 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.04 1rj2 h LEU 755 N 0.24 0.00 0.50 2.94 3.38 -0.91 -3.47 115.31 117.99 1rj2 h LEU 755 Ca 0.73 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 58.37 1rj2 h LEU 755 Cb 1.69 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.50 1rj2 h LEU 755 CO -0.65 0.03 -0.51 -0.67 0.09 0.00 0.00 178.44 176.73 1rj2 n ASP 756 N -3.11 -5.36 -4.69 -0.43 4.64 0.53 -4.95 116.55 103.17 1rj2 n ASP 756 Ca 0.04 -0.26 -0.41 0.00 -1.38 0.00 0.00 54.79 52.77 1rj2 n ASP 756 Cb 0.53 -4.17 -0.04 0.00 -1.04 0.00 0.00 41.12 36.39 1rj2 n ASP 756 CO 0.00 0.00 0.00 -1.00 -0.82 0.00 0.00 177.20 175.38 1rj2 s HIS 757 N -3.09 3.52 0.30 -0.67 3.76 -0.94 -4.94 115.29 113.23 1rj2 s HIS 757 Ca 0.28 1.31 0.04 0.00 -0.15 0.00 0.00 55.06 56.54 1rj2 s HIS 757 Cb -0.12 -2.94 0.48 0.00 1.11 0.00 0.00 32.58 31.11 1rj2 s HIS 757 CO 0.35 -0.07 1.76 -0.22 -0.85 0.00 0.00 174.74 175.71 1rj2 h LYS 758 N 7.02 0.41 -6.22 1.40 3.64 -1.92 -3.44 116.57 117.46 1rj2 h LYS 758 Ca -0.36 -0.15 -0.48 0.00 -1.27 0.00 0.00 60.65 58.39 1rj2 h LYS 758 Cb 1.17 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.93 1rj2 h LYS 758 CO 0.79 0.63 -0.45 -0.51 -2.27 0.00 0.00 179.45 177.64 1rj2 s LEU 759 N -8.64 3.82 0.24 5.20 1.43 -1.26 -5.14 118.68 114.33 1rj2 s LEU 759 Ca -0.06 -0.30 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 1rj2 s LEU 759 Cb 0.14 -2.43 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 1rj2 s LEU 759 CO 0.78 -0.24 0.37 -0.94 0.23 0.00 0.00 176.35 176.55 1rj2 s SER 760 N -3.98 6.32 0.33 2.29 1.04 -1.26 -5.00 113.70 113.43 1rj2 s SER 760 Ca 0.38 0.08 0.21 0.00 0.48 0.00 0.00 55.95 57.11 1rj2 s SER 760 Cb -0.07 -1.87 1.16 0.00 0.10 0.00 0.00 66.02 65.34 1rj2 s SER 760 CO 0.27 -0.08 1.29 -0.11 0.98 0.00 0.00 173.24 175.59 1rj2 n LEU 761 N -1.42 0.24 0.17 2.42 7.94 -1.26 -1.24 117.00 123.84 1rj2 n LEU 761 Ca -0.09 1.27 0.05 0.00 -1.11 0.00 0.00 56.01 56.13 1rj2 n LEU 761 Cb 0.57 -0.62 0.49 0.00 0.53 0.00 0.00 43.42 44.39 1rj2 n LEU 761 CO 0.45 -1.41 0.99 -2.24 -1.11 0.00 0.00 177.39 174.07 1rj2 h ASP 762 N 0.00 0.14 1.03 1.96 2.03 -1.99 -1.87 116.42 117.73 1rj2 h ASP 762 Ca 0.71 -0.02 -0.03 0.00 -0.73 0.00 0.00 57.03 56.96 1rj2 h ASP 762 Cb 2.04 -0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 40.50 1rj2 h ASP 762 CO -0.53 0.22 -0.16 0.77 -1.03 0.00 0.00 179.24 178.50 1rj2 h SER 763 N 0.16 0.00 0.35 4.15 4.64 -1.57 -2.99 113.55 118.29 1rj2 h SER 763 Ca 0.04 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.03 1rj2 h SER 763 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 1rj2 h SER 763 CO 0.01 0.16 -1.63 1.88 -0.87 0.00 0.00 176.83 176.38 1rj2 h TYR 764 N 0.00 0.54 0.00 4.77 -1.99 -1.50 -3.23 116.97 115.56 1rj2 h TYR 764 Ca -0.00 -0.40 0.00 0.00 2.00 0.00 0.00 58.73 60.33 1rj2 h TYR 764 Cb 0.72 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.43 1rj2 h TYR 764 CO 0.00 1.49 0.03 1.28 -0.00 0.00 0.00 178.16 180.96 1rj2 n LEU 765 N -3.49 0.54 0.11 3.88 4.77 -0.81 0.10 117.00 122.09 1rj2 n LEU 765 Ca -0.20 0.74 0.12 0.00 -0.03 0.00 0.00 56.01 56.64 1rj2 n LEU 765 Cb 1.06 -0.80 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 1rj2 n LEU 765 CO 0.51 -0.92 0.07 0.25 -1.33 0.00 0.00 177.39 175.97 1rj2 h LEU 766 N 0.00 0.00 -0.70 2.23 5.85 -1.55 -3.40 115.31 117.74 1rj2 h LEU 766 Ca 0.00 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.86 1rj2 h LEU 766 Cb 0.06 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 40.98 1rj2 h LEU 766 CO 0.00 0.00 0.09 0.11 -0.34 0.00 0.00 178.44 178.31 1rj2 h LYS 767 N 0.00 0.19 -0.35 1.25 1.79 -0.42 -2.40 116.57 116.63 1rj2 h LYS 767 Ca 0.00 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 1rj2 h LYS 767 Cb 0.99 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.56 1rj2 h LYS 767 CO 0.00 0.12 0.14 -1.35 -1.08 0.00 0.00 179.45 177.28 1rj2 h PRO 768 N 0.19 0.29 -0.57 3.15 0.11 -1.77 -1.56 132.00 131.84 1rj2 h PRO 768 Ca 0.39 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 66.59 1rj2 h PRO 768 Cb 0.65 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 31.61 1rj2 h PRO 768 CO -0.54 0.19 0.06 0.28 -0.21 0.00 0.00 178.00 177.78 1rj2 h VAL 769 N 0.30 0.59 -0.23 3.15 2.07 -1.72 -2.46 116.25 117.95 1rj2 h VAL 769 Ca 0.16 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.55 1rj2 h VAL 769 Cb 0.11 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1rj2 h VAL 769 CO -0.14 0.03 -0.11 1.56 0.02 0.00 0.00 177.57 178.93 1rj2 h GLN 770 N 0.18 0.49 -1.12 1.57 4.20 -1.40 -3.23 115.11 115.80 1rj2 h GLN 770 Ca 0.30 -0.21 0.35 0.00 0.06 0.00 0.00 58.65 59.14 1rj2 h GLN 770 Cb 0.46 -0.01 -0.13 0.00 0.30 0.00 0.00 27.48 28.10 1rj2 h GLN 770 CO -0.44 0.75 0.69 -0.09 -0.67 0.00 0.00 178.83 179.07 1rj2 h ARG 771 N 0.20 0.25 -0.08 1.46 9.65 -0.79 0.45 114.38 125.53 1rj2 h ARG 771 Ca 0.05 -0.02 -0.08 0.00 -1.10 0.00 0.00 59.98 58.84 1rj2 h ARG 771 Cb 0.61 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.12 1rj2 h ARG 771 CO 0.03 0.17 -0.32 0.97 2.80 0.00 0.00 179.97 183.63 1rj2 h ILE 772 N 0.26 1.26 0.17 1.20 6.09 -1.56 -1.89 117.51 123.03 1rj2 h ILE 772 Ca 0.73 -1.22 -0.31 0.00 -1.37 0.00 0.00 64.86 62.70 1rj2 h ILE 772 Cb 1.93 1.55 0.01 0.00 0.47 0.00 0.00 36.82 40.78 1rj2 h ILE 772 CO -0.47 0.36 -1.43 0.74 -3.07 0.00 0.00 178.15 174.28 1rj2 h THR 773 N 0.13 1.30 -0.55 2.19 2.02 -0.29 -2.94 112.91 114.77 1rj2 h THR 773 Ca 0.02 -2.85 0.07 0.00 0.77 0.00 0.00 66.41 64.43 1rj2 h THR 773 Cb 0.63 2.91 -0.06 0.00 -1.74 0.00 0.00 68.15 69.89 1rj2 h THR 773 CO 0.05 0.85 0.22 0.50 0.37 0.00 0.00 175.52 177.50 1rj2 h LYS 774 N 0.10 0.40 -0.15 6.66 3.11 -1.01 0.19 116.57 125.85 1rj2 h LYS 774 Ca -0.22 -0.02 0.05 0.00 -2.81 0.00 0.00 60.65 57.65 1rj2 h LYS 774 Cb 2.05 -0.09 -0.06 0.00 -1.00 0.00 0.00 32.23 33.13 1rj2 h LYS 774 CO 0.21 0.26 -0.29 1.88 -2.81 0.00 0.00 179.45 178.70 1rj2 h TYR 775 N 0.41 -0.79 -0.25 1.91 0.99 -1.36 0.32 116.97 118.20 1rj2 h TYR 775 Ca 0.27 0.04 0.06 0.00 2.00 0.00 0.00 58.73 61.10 1rj2 h TYR 775 Cb 0.28 0.37 -0.07 0.00 1.00 0.00 0.00 36.73 38.32 1rj2 h TYR 775 CO -0.15 -0.37 -0.21 0.37 -0.00 0.00 0.00 178.16 177.79 1rj2 h GLN 776 N -0.35 -0.21 -0.28 4.88 -0.00 -0.70 0.58 115.11 119.04 1rj2 h GLN 776 Ca 0.11 0.01 0.01 0.00 -0.00 0.00 0.00 58.65 58.78 1rj2 h GLN 776 Cb 0.51 0.05 -0.02 0.00 0.00 0.00 0.00 27.48 28.02 1rj2 h GLN 776 CO -0.35 -0.14 0.16 -0.07 0.00 0.00 0.00 178.83 178.43 1rj2 h LEU 777 N -0.21 0.26 -0.39 -2.39 3.38 -0.15 0.60 115.31 116.41 1rj2 h LEU 777 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1rj2 h LEU 777 Cb 0.43 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1rj2 h LEU 777 CO -0.37 0.19 0.22 -0.07 0.09 0.00 0.00 178.44 178.50 1rj2 h LEU 778 N 0.33 0.48 -0.85 1.67 3.38 0.54 -0.68 115.31 120.19 1rj2 h LEU 778 Ca 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1rj2 h LEU 778 Cb -0.00 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1rj2 h LEU 778 CO -0.05 0.42 0.48 -0.07 0.09 0.00 0.00 178.44 179.31 1rj2 h LEU 779 N 0.50 1.05 -1.51 1.67 3.38 0.40 0.69 115.31 121.48 1rj2 h LEU 779 Ca 0.14 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1rj2 h LEU 779 Cb 0.05 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1rj2 h LEU 779 CO -0.02 0.83 0.34 0.50 0.09 0.00 0.00 178.44 180.18 1rj2 h LYS 780 N 1.18 0.65 -0.03 1.13 3.64 -0.40 -2.04 116.57 120.70 1rj2 h LYS 780 Ca 0.30 -0.04 -0.25 0.00 -1.27 0.00 0.00 60.65 59.39 1rj2 h LYS 780 Cb 0.01 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1rj2 h LYS 780 CO -0.05 0.43 -0.97 1.49 -2.27 0.00 0.00 179.45 178.08 1rj2 h GLU 781 N 0.67 0.64 0.30 1.90 4.57 0.11 -2.97 114.58 119.81 1rj2 h GLU 781 Ca 0.19 -0.66 -0.01 0.00 -1.18 0.00 0.00 59.36 57.70 1rj2 h GLU 781 Cb -0.05 0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1rj2 h GLU 781 CO -0.04 1.25 -0.14 1.98 -1.18 0.00 0.00 179.01 180.88 1rj2 h MET 782 N 0.38 -0.38 -0.82 1.92 4.05 -0.35 -2.67 114.93 117.05 1rj2 h MET 782 Ca -0.10 0.03 0.12 0.00 -0.28 0.00 0.00 59.70 59.46 1rj2 h MET 782 Cb 1.61 0.09 -0.08 0.00 -0.80 0.00 0.00 31.60 32.41 1rj2 h MET 782 CO 0.19 -0.24 0.44 1.25 0.23 0.00 0.00 176.91 178.77 1rj2 h LEU 783 N -0.42 0.57 -1.07 3.39 5.85 -1.48 -1.56 115.31 120.59 1rj2 h LEU 783 Ca -0.04 0.07 0.30 0.00 0.84 0.00 0.00 57.88 59.05 1rj2 h LEU 783 Cb 0.32 -0.03 -0.13 0.00 0.37 0.00 0.00 40.66 41.19 1rj2 h LEU 783 CO 0.07 0.29 0.61 0.50 -0.34 0.00 0.00 178.44 179.56 1rj2 h LYS 784 N 0.68 0.38 -0.54 1.25 3.64 -1.30 0.39 116.57 121.07 1rj2 h LYS 784 Ca 0.42 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.55 1rj2 h LYS 784 Cb 0.51 -0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 32.11 1rj2 h LYS 784 CO -0.31 0.25 0.15 0.66 -2.27 0.00 0.00 179.45 177.93 1rj2 n TYR 785 N -4.93 1.72 -1.14 1.91 0.53 -0.61 -4.47 117.16 110.18 1rj2 n TYR 785 Ca 0.30 -1.47 0.00 0.00 -1.02 0.00 0.00 57.90 55.71 1rj2 n TYR 785 Cb 0.94 -0.59 0.00 0.00 -1.03 0.00 0.00 39.34 38.65 1rj2 n TYR 785 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 1rj2 n SER 786 N -0.87 0.00 -0.23 7.72 7.64 0.13 -4.77 113.62 123.24 1rj2 n SER 786 Ca 0.38 -1.00 0.32 0.00 1.01 0.00 0.00 58.87 59.58 1rj2 n SER 786 Cb 1.21 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 65.11 1rj2 n SER 786 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1rj2 h LYS 787 N 0.00 0.00 -0.01 1.43 1.79 -1.61 0.14 116.57 118.31 1rj2 h LYS 787 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1rj2 h LYS 787 Cb 0.98 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1rj2 h LYS 787 CO 0.00 0.00 -0.46 0.72 -1.08 0.00 0.00 179.45 178.63 1rj2 n HIS 788 N -3.88 0.00 -2.01 -1.35 8.25 -1.26 -4.89 115.22 110.07 1rj2 n HIS 788 Ca 0.22 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.38 1rj2 n HIS 788 Cb 1.20 0.00 0.01 0.00 1.12 0.00 0.00 29.99 32.32 1rj2 n HIS 788 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rj2 s GLU 790 N -5.12 4.28 0.00 0.00 2.02 -1.26 -2.56 118.70 116.06 1rj2 s GLU 790 Ca 0.54 1.56 0.00 0.00 0.02 0.00 0.00 54.97 57.09 1rj2 s GLU 790 Cb -0.11 -3.67 0.00 0.00 0.10 0.00 0.00 34.13 30.45 1rj2 s GLU 790 CO 0.52 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.61 1rj2 n GLY 791 N 3.45 1.58 0.44 -1.39 0.00 -1.26 -4.49 105.19 103.51 1rj2 n GLY 791 Ca 0.12 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.40 1rj2 n GLY 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rj2 h ALA 792 N 0.00 2.73 0.09 4.61 0.00 -1.71 0.24 119.26 125.22 1rj2 h ALA 792 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1rj2 h ALA 792 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1rj2 h ALA 792 CO 0.00 -0.96 -0.04 1.49 0.00 0.00 0.00 179.25 179.74 1rj2 h GLU 793 N 0.00 -0.12 -0.41 0.00 4.81 -1.93 -2.64 114.58 114.29 1rj2 h GLU 793 Ca 0.37 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 1rj2 h GLU 793 Cb 1.48 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.87 1rj2 h GLU 793 CO -0.00 0.10 0.21 -0.44 -0.73 0.00 0.00 179.01 178.15 1rj2 h ASP 794 N -0.33 0.52 -0.29 1.04 3.32 -0.98 -2.41 116.42 117.30 1rj2 h ASP 794 Ca -0.01 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 56.99 1rj2 h ASP 794 Cb 0.28 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 39.62 1rj2 h ASP 794 CO 0.02 0.48 -0.39 -0.07 -1.72 0.00 0.00 179.24 177.56 1rj2 h LEU 795 N 0.53 -1.28 0.21 1.55 3.38 -1.04 0.63 115.31 119.30 1rj2 h LEU 795 Ca 0.14 0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.31 1rj2 h LEU 795 Cb 0.08 0.55 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 1rj2 h LEU 795 CO -0.02 -0.38 -0.47 -0.61 0.09 0.00 0.00 178.44 177.05 1rj2 h GLN 796 N -0.37 -0.74 -0.56 1.13 5.75 -1.32 0.32 115.11 119.32 1rj2 h GLN 796 Ca 0.12 0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.77 1rj2 h GLN 796 Cb 0.58 0.17 -0.11 0.00 1.07 0.00 0.00 27.48 29.19 1rj2 h GLN 796 CO -0.49 -0.49 -0.32 0.93 -2.65 0.00 0.00 178.83 175.81 1rj2 h GLU 797 N -0.77 -0.16 0.01 1.69 5.08 -0.86 0.43 114.58 120.01 1rj2 h GLU 797 Ca -0.01 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1rj2 h GLU 797 Cb 0.75 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.99 1rj2 h GLU 797 CO -0.21 -0.11 -0.33 0.00 -1.00 0.00 0.00 179.01 177.36 1rj2 h ALA 798 N 0.99 -0.50 -0.34 3.43 0.00 0.94 0.21 119.26 124.00 1rj2 h ALA 798 Ca 0.23 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1rj2 h ALA 798 Cb 0.54 0.58 -0.08 0.00 0.00 0.00 0.00 17.79 18.83 1rj2 h ALA 798 CO -0.65 -0.85 -0.27 1.25 0.00 0.00 0.00 179.25 178.73 1rj2 h LEU 799 N -0.49 -0.88 -0.76 0.00 5.85 0.14 0.03 115.31 119.20 1rj2 h LEU 799 Ca 0.06 0.16 0.09 0.00 0.84 0.00 0.00 57.88 59.03 1rj2 h LEU 799 Cb 0.57 0.42 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 1rj2 h LEU 799 CO -0.26 -0.29 0.41 0.28 -0.34 0.00 0.00 178.44 178.24 1rj2 h SER 800 N -0.22 0.57 -0.44 1.25 0.02 0.53 -1.43 113.55 113.83 1rj2 h SER 800 Ca 0.17 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 1rj2 h SER 800 Cb 0.49 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.95 1rj2 h SER 800 CO -0.47 0.33 0.28 0.28 -1.14 0.00 0.00 176.83 176.11 1rj2 h SER 801 N 0.70 0.49 -0.57 3.07 0.02 0.11 0.44 113.55 117.81 1rj2 h SER 801 Ca 0.36 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 1rj2 h SER 801 Cb 0.34 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 1rj2 h SER 801 CO -0.25 0.35 0.37 0.40 -1.14 0.00 0.00 176.83 176.56 1rj2 h ILE 802 N 0.58 1.16 -0.73 3.27 2.04 -0.43 0.22 117.51 123.61 1rj2 h ILE 802 Ca 0.16 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.74 1rj2 h ILE 802 Cb -0.05 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 1rj2 h ILE 802 CO -0.04 0.15 0.48 -0.07 0.00 0.00 0.00 178.15 178.68 1rj2 h LEU 803 N 0.77 0.80 0.81 1.44 3.38 -0.85 0.15 115.31 121.81 1rj2 h LEU 803 Ca 0.21 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1rj2 h LEU 803 Cb -0.06 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.50 1rj2 h LEU 803 CO -0.04 0.56 -0.39 1.23 0.09 0.00 0.00 178.44 179.89 1rj2 h GLY 804 N 0.93 -1.13 -0.08 0.83 0.00 0.13 0.16 103.07 103.92 1rj2 h GLY 804 Ca 0.28 0.42 0.14 0.00 0.00 0.00 0.00 47.33 48.17 1rj2 h GLY 804 CO -0.07 -0.41 0.07 -2.22 0.00 0.00 0.00 176.54 173.90 1rj2 h ILE 805 N -1.09 0.50 -0.23 2.60 2.04 0.30 0.21 117.51 121.83 1rj2 h ILE 805 Ca -0.11 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.72 1rj2 h ILE 805 Cb 0.83 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1rj2 h ILE 805 CO 0.18 0.03 0.02 -0.07 0.00 0.00 0.00 178.15 178.31 1rj2 h LEU 806 N 0.18 -0.05 -0.77 1.44 3.38 -0.35 0.23 115.31 119.37 1rj2 h LEU 806 Ca 0.36 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.40 1rj2 h LEU 806 Cb 0.60 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 1rj2 h LEU 806 CO -0.53 0.01 0.49 0.50 0.09 0.00 0.00 178.44 179.01 1rj2 h LYS 807 N 0.10 0.95 0.23 1.13 3.64 0.11 0.77 116.57 123.48 1rj2 h LYS 807 Ca 0.11 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1rj2 h LYS 807 Cb 0.13 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1rj2 h LYS 807 CO -0.17 0.63 -0.22 0.00 -2.27 0.00 0.00 179.45 177.42 1rj2 h ALA 808 N 1.32 -0.93 -0.64 5.00 0.00 0.27 0.11 119.26 124.39 1rj2 h ALA 808 Ca 0.30 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.26 1rj2 h ALA 808 Cb -0.01 0.45 -0.12 0.00 0.00 0.00 0.00 17.79 18.11 1rj2 h ALA 808 CO -0.10 -0.94 -0.18 0.28 0.00 0.00 0.00 179.25 178.31 1rj2 h VAL 809 N -0.44 0.34 -0.60 0.00 2.07 -0.35 0.16 116.25 117.43 1rj2 h VAL 809 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1rj2 h VAL 809 Cb 0.38 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1rj2 h VAL 809 CO -0.02 0.00 0.38 -1.13 0.02 0.00 0.00 177.57 176.82 1rj2 h ASN 810 N -0.02 0.63 -0.22 0.57 -1.24 -0.56 -0.97 115.58 113.77 1rj2 h ASN 810 Ca 0.30 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.29 1rj2 h ASN 810 Cb 0.48 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 1rj2 h ASN 810 CO -0.67 0.44 0.06 0.44 -1.29 0.00 0.00 177.43 176.41 1rj2 h ASP 811 N 0.75 0.33 -0.84 1.15 3.32 0.44 -2.83 116.42 118.76 1rj2 h ASP 811 Ca 0.24 -0.23 0.16 0.00 0.02 0.00 0.00 57.03 57.22 1rj2 h ASP 811 Cb -0.01 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 39.35 1rj2 h ASP 811 CO -0.09 0.47 0.39 -1.28 -1.72 0.00 0.00 179.24 177.02 1rj2 h SER 812 N 0.18 0.43 -0.80 6.45 0.87 -0.20 0.75 113.55 121.23 1rj2 h SER 812 Ca 0.07 0.11 0.10 0.00 -1.23 0.00 0.00 61.79 60.84 1rj2 h SER 812 Cb 0.27 0.05 -0.06 0.00 -0.44 0.00 0.00 62.40 62.22 1rj2 h SER 812 CO 0.00 0.15 0.52 0.24 -0.53 0.00 0.00 176.83 177.21 1rj2 h MET 813 N 0.53 0.71 -0.17 2.24 2.86 -0.94 -0.91 114.93 119.24 1rj2 h MET 813 Ca 0.47 -0.04 -0.21 0.00 -2.06 0.00 0.00 59.70 57.86 1rj2 h MET 813 Cb 0.73 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 32.24 1rj2 h MET 813 CO -0.41 0.47 -0.72 0.45 1.06 0.00 0.00 176.91 177.76 1rj2 h HIS 814 N 0.73 1.06 -0.57 -0.22 -0.00 -0.82 -3.20 115.15 112.12 1rj2 h HIS 814 Ca 0.37 -0.45 -0.04 0.00 -0.00 0.00 0.00 60.37 60.25 1rj2 h HIS 814 Cb 0.47 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.68 1rj2 h HIS 814 CO -0.00 1.28 0.20 1.25 -0.00 0.00 0.00 177.93 180.66 1rj2 h LEU 815 N 0.53 0.77 0.00 2.43 5.85 -0.75 -1.67 115.31 122.48 1rj2 h LEU 815 Ca -0.04 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1rj2 h LEU 815 Cb 1.35 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1rj2 h LEU 815 CO 0.15 0.72 0.00 2.30 -0.34 0.00 0.00 178.44 181.27 1rj2 n ILE 816 N -4.31 0.00 -0.12 4.05 -5.35 -0.43 -1.89 119.36 111.32 1rj2 n ILE 816 Ca 0.05 0.00 0.06 0.00 -0.27 0.00 0.00 62.75 62.59 1rj2 n ILE 816 Cb 0.18 -0.53 0.16 0.00 -1.74 0.00 0.00 39.64 37.71 1rj2 n ILE 816 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1rj2 n ALA 817 N -0.88 2.23 -2.70 -1.28 0.00 -0.63 -4.96 120.51 112.29 1rj2 n ALA 817 Ca 0.13 -1.10 -0.41 0.00 0.00 0.00 0.00 53.44 52.06 1rj2 n ALA 817 Cb 0.06 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 18.99 1rj2 n ALA 817 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1rj2 s ILE 818 N -1.00 4.91 0.07 0.00 -1.09 -0.79 -0.93 121.20 122.36 1rj2 s ILE 818 Ca 0.25 1.78 0.10 0.00 -2.23 0.00 0.00 60.65 60.54 1rj2 s ILE 818 Cb 0.13 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 1rj2 s ILE 818 CO 0.17 0.14 -0.26 0.42 -1.23 0.00 0.00 174.94 174.17 1rj2 s THR 819 N 1.34 2.19 0.00 2.92 -4.23 0.53 -4.77 115.64 113.62 1rj2 s THR 819 Ca 0.44 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.47 1rj2 s THR 819 Cb -0.19 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 71.77 1rj2 s THR 819 CO 0.20 0.30 0.00 0.61 -0.54 0.00 0.00 174.62 175.19 1rj2 n GLY 820 N 1.56 0.73 3.24 3.99 0.00 -1.26 -1.71 105.19 111.73 1rj2 n GLY 820 Ca -0.17 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1rj2 n GLY 820 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rj2 s TYR 821 N -2.43 3.85 -0.98 1.61 5.04 -1.26 -4.68 117.35 118.51 1rj2 s TYR 821 Ca 0.00 -2.54 -0.20 0.00 -2.44 0.00 0.00 57.07 51.89 1rj2 s TYR 821 Cb 0.00 -3.58 -0.27 0.00 0.35 0.00 0.00 41.96 38.46 1rj2 s TYR 821 CO 0.00 -0.90 2.38 -0.40 -1.34 0.00 0.00 175.55 175.30 1rj2 n ASP 822 N 3.19 -0.57 0.00 4.32 5.75 -1.26 -4.40 116.55 123.58 1rj2 n ASP 822 Ca 0.17 -0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.77 1rj2 n ASP 822 Cb 0.41 -0.71 0.00 0.00 -1.03 0.00 0.00 41.12 39.79 1rj2 n ASP 822 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rj2 n GLY 823 N 5.89 0.57 3.46 6.12 0.00 -1.26 -4.99 105.19 114.98 1rj2 n GLY 823 Ca 0.66 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.94 1rj2 n GLY 823 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rj2 s ASN 824 N -2.00 6.12 0.00 1.61 0.01 -1.26 -4.94 114.94 114.48 1rj2 s ASN 824 Ca 0.00 -0.92 0.00 0.00 -0.71 0.00 0.00 52.86 51.23 1rj2 s ASN 824 Cb 0.00 -2.17 0.00 0.00 0.41 0.00 0.00 41.25 39.49 1rj2 s ASN 824 CO 0.00 -0.48 0.48 0.00 -1.51 0.00 0.00 177.10 175.59 1rj2 n LEU 825 N 5.20 1.34 -0.00 0.60 -0.00 -1.26 -1.93 117.00 120.94 1rj2 n LEU 825 Ca -0.11 -0.63 0.01 0.00 -0.00 0.00 0.00 56.01 55.28 1rj2 n LEU 825 Cb 0.47 -0.26 -0.01 0.00 -0.00 0.00 0.00 43.42 43.62 1rj2 n LEU 825 CO 0.42 0.24 -0.24 0.61 -0.00 0.00 0.00 177.39 178.42 1rj2 n GLY 826 N 1.35 0.46 0.14 1.47 0.00 -1.26 -4.52 105.19 102.83 1rj2 n GLY 826 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.11 1rj2 n GLY 826 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rj2 n ASP 827 N -1.26 0.43 -1.90 1.61 9.92 -0.82 -3.79 116.55 120.74 1rj2 n ASP 827 Ca 0.00 -1.34 -0.22 0.00 -0.53 0.00 0.00 54.79 52.70 1rj2 n ASP 827 Cb 0.02 -0.02 0.11 0.00 -0.64 0.00 0.00 41.12 40.60 1rj2 n ASP 827 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1rj2 n LEU 828 N -0.58 5.80 0.00 0.64 -0.00 -1.26 -4.99 117.00 116.61 1rj2 n LEU 828 Ca 0.18 -4.20 0.00 0.00 -0.00 0.00 0.00 56.01 51.99 1rj2 n LEU 828 Cb 0.15 -0.69 0.00 0.00 -0.00 0.00 0.00 43.42 42.88 1rj2 n LEU 828 CO 0.14 1.55 0.00 0.61 -0.00 0.00 0.00 177.39 179.68 1rj2 n GLY 829 N -0.95 -1.23 3.84 1.47 0.00 -1.25 -1.94 105.19 105.14 1rj2 n GLY 829 Ca 0.49 -1.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.61 1rj2 n GLY 829 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rj2 s LYS 830 N -1.14 4.03 -0.28 1.61 -2.85 -1.26 -4.52 119.74 115.33 1rj2 s LYS 830 Ca 0.00 0.77 -0.29 0.00 -1.00 0.00 0.00 55.97 55.45 1rj2 s LYS 830 Cb 0.00 -2.36 0.00 0.00 -2.06 0.00 0.00 37.83 33.41 1rj2 s LYS 830 CO 0.00 0.08 1.26 -1.17 0.10 0.00 0.00 175.35 175.62 1rj2 s LEU 831 N -3.14 3.94 -0.16 2.77 2.96 -1.26 -2.40 118.68 121.38 1rj2 s LEU 831 Ca 0.56 1.27 0.15 0.00 -0.22 0.00 0.00 54.13 55.89 1rj2 s LEU 831 Cb -0.10 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.81 1rj2 s LEU 831 CO 0.18 -0.99 0.21 0.18 -1.32 0.00 0.00 176.35 174.60 1rj2 n LEU 832 N 7.34 0.49 -3.53 -0.68 7.99 0.80 -4.99 117.00 124.42 1rj2 n LEU 832 Ca 0.14 0.10 -0.14 0.00 -0.01 0.00 0.00 56.01 56.10 1rj2 n LEU 832 Cb 0.46 0.28 -0.05 0.00 -0.11 0.00 0.00 43.42 44.01 1rj2 n LEU 832 CO 0.61 0.51 0.35 -0.04 -1.51 0.00 0.00 177.39 177.31 1rj2 s MET 833 N -2.52 1.10 0.11 3.23 -1.94 -0.93 -5.00 119.30 113.35 1rj2 s MET 833 Ca -0.11 -0.17 -0.17 0.00 -1.71 0.00 0.00 55.69 53.53 1rj2 s MET 833 Cb 0.07 0.51 0.04 0.00 2.01 0.00 0.00 34.83 37.45 1rj2 s MET 833 CO 0.81 -0.41 0.43 1.14 -0.01 0.00 0.00 175.02 176.98 1rj2 s GLN 834 N -2.44 1.06 0.00 2.03 1.03 -1.26 0.71 119.66 120.80 1rj2 s GLN 834 Ca -0.05 -0.59 0.00 0.00 0.04 0.00 0.00 55.36 54.75 1rj2 s GLN 834 Cb -0.01 0.47 0.00 0.00 0.03 0.00 0.00 33.01 33.50 1rj2 s GLN 834 CO -0.01 -0.41 0.00 0.41 -2.54 0.00 0.00 175.29 172.74 1rj2 n GLY 835 N -0.07 0.34 3.85 2.60 0.00 -0.62 -4.99 105.19 106.30 1rj2 n GLY 835 Ca -0.17 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.32 1rj2 n GLY 835 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rj2 s SER 836 N 0.00 6.03 0.17 1.61 0.15 -1.26 -0.05 113.70 120.35 1rj2 s SER 836 Ca 0.00 0.23 -0.11 0.00 0.70 0.00 0.00 55.95 56.77 1rj2 s SER 836 Cb 0.00 -1.81 -0.00 0.00 -1.71 0.00 0.00 66.02 62.50 1rj2 s SER 836 CO 0.00 0.25 0.34 -0.36 1.20 0.00 0.00 173.24 174.67 1rj2 s PHE 837 N -1.31 0.29 -0.16 3.44 0.40 -0.23 -4.42 117.98 115.99 1rj2 s PHE 837 Ca 0.27 -0.65 -0.09 0.00 -0.60 0.00 0.00 56.93 55.86 1rj2 s PHE 837 Cb -0.12 0.05 -0.05 0.00 0.51 0.00 0.00 43.02 43.41 1rj2 s PHE 837 CO 0.18 -0.77 0.14 -1.12 0.70 0.00 0.00 175.22 174.35 1rj2 s SER 838 N -2.95 6.31 -0.06 1.36 0.01 -0.94 -1.34 113.70 116.09 1rj2 s SER 838 Ca 0.16 0.36 0.03 0.00 1.31 0.00 0.00 55.95 57.81 1rj2 s SER 838 Cb 0.02 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1rj2 s SER 838 CO -0.00 0.29 -0.16 -0.69 0.41 0.00 0.00 173.24 173.09 1rj2 s VAL 839 N -0.31 1.40 0.22 3.43 1.01 0.05 -1.03 120.40 125.16 1rj2 s VAL 839 Ca 0.12 -0.66 0.11 0.00 0.00 0.00 0.00 61.98 61.55 1rj2 s VAL 839 Cb -0.12 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1rj2 s VAL 839 CO 0.01 0.41 -0.19 0.26 0.00 0.00 0.00 175.10 175.59 1rj2 s TRP 840 N 0.37 2.38 -0.38 5.22 0.51 0.10 -2.21 118.94 124.93 1rj2 s TRP 840 Ca -0.11 -0.32 0.01 0.00 -2.12 0.00 0.00 56.10 53.56 1rj2 s TRP 840 Cb -0.14 -1.13 0.12 0.00 -0.81 0.00 0.00 33.47 31.50 1rj2 s TRP 840 CO 0.04 0.57 0.17 0.95 -0.51 0.00 0.00 176.95 178.17 1rj2 s THR 841 N -1.93 1.19 -1.22 2.01 -4.23 -1.26 -0.78 115.64 109.42 1rj2 s THR 841 Ca 0.25 -2.08 -0.17 0.00 -1.18 0.00 0.00 61.69 58.52 1rj2 s THR 841 Cb -0.07 -1.86 0.12 0.00 1.34 0.00 0.00 72.50 72.02 1rj2 s THR 841 CO 0.13 -0.80 1.55 -0.62 -0.54 0.00 0.00 174.62 174.34 1rj2 s ASP 842 N 0.88 6.91 0.17 3.99 2.15 -1.11 -4.95 116.67 124.72 1rj2 s ASP 842 Ca 0.14 -2.60 0.02 0.00 0.43 0.00 0.00 52.55 50.54 1rj2 s ASP 842 Cb -0.22 -2.49 -0.04 0.00 -0.30 0.00 0.00 42.92 39.88 1rj2 s ASP 842 CO -0.09 -1.00 0.32 -1.00 -0.17 0.00 0.00 175.17 173.23 1rj2 s HIS 843 N 3.03 3.48 -0.63 -5.34 3.76 -1.26 -3.93 115.29 114.40 1rj2 s HIS 843 Ca 0.47 0.17 0.06 0.00 -0.15 0.00 0.00 55.06 55.61 1rj2 s HIS 843 Cb 0.00 -1.71 0.21 0.00 1.11 0.00 0.00 32.58 32.19 1rj2 s HIS 843 CO 0.02 0.47 0.60 1.63 -0.85 0.00 0.00 174.74 176.61 1rj2 n LYS 844 N -0.67 1.94 0.00 1.40 4.76 -0.72 -5.01 118.16 119.87 1rj2 n LYS 844 Ca -0.06 -4.38 0.00 0.00 -2.87 0.00 0.00 58.31 51.00 1rj2 n LYS 844 Cb 0.54 -2.14 0.00 0.00 -1.84 0.00 0.00 35.03 31.59 1rj2 n LYS 844 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1rj2 n ALA 854 N 1.47 0.00 -0.01 7.82 0.00 -1.26 -4.89 120.51 123.64 1rj2 n ALA 854 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1rj2 n ALA 854 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 1rj2 n ALA 854 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1rj2 n ARG 855 N -0.04 0.00 -2.25 0.00 0.63 -1.26 0.65 116.66 114.39 1rj2 n ARG 855 Ca 0.00 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.75 1rj2 n ARG 855 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 1rj2 n ARG 855 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1rj2 n PHE 856 N 5.66 2.39 -3.42 -0.14 3.01 -1.26 -4.98 117.46 118.74 1rj2 n PHE 856 Ca 0.00 -2.25 -0.45 0.00 1.01 0.00 0.00 57.45 55.76 1rj2 n PHE 856 Cb 0.00 -0.30 -0.04 0.00 -0.01 0.00 0.00 39.48 39.13 1rj2 n PHE 856 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1rj2 s LYS 857 N -3.64 3.32 0.73 -1.08 2.47 0.21 -5.06 119.74 116.69 1rj2 s LYS 857 Ca 0.45 -2.41 -0.11 0.00 -1.56 0.00 0.00 55.97 52.33 1rj2 s LYS 857 Cb 0.39 -4.26 0.03 0.00 -1.46 0.00 0.00 37.83 32.52 1rj2 s LYS 857 CO 0.01 -1.27 1.10 -1.25 0.16 0.00 0.00 175.35 174.11 1rj2 s PRO 858 N 0.24 2.67 0.10 4.03 0.04 -1.26 -4.94 135.00 135.87 1rj2 s PRO 858 Ca 0.16 0.47 0.02 0.00 0.04 0.00 0.00 61.00 61.69 1rj2 s PRO 858 Cb -0.14 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1rj2 s PRO 858 CO -0.07 -1.17 0.16 -1.64 0.04 0.00 0.00 177.00 174.32 1rj2 s MET 859 N -5.34 3.14 -0.33 4.56 -1.94 -0.94 -4.88 119.30 113.57 1rj2 s MET 859 Ca 0.59 -0.63 -0.13 0.00 -1.71 0.00 0.00 55.69 53.81 1rj2 s MET 859 Cb -0.12 -2.85 -0.02 0.00 2.01 0.00 0.00 34.83 33.86 1rj2 s MET 859 CO 0.52 0.56 0.25 -0.65 -0.01 0.00 0.00 175.02 175.69 1rj2 s GLN 860 N -2.67 3.58 0.13 2.03 -1.52 -1.26 -0.77 119.66 119.18 1rj2 s GLN 860 Ca 0.32 -0.55 0.08 0.00 -1.95 0.00 0.00 55.36 53.26 1rj2 s GLN 860 Cb -0.12 -3.78 -0.04 0.00 -0.22 0.00 0.00 33.01 28.85 1rj2 s GLN 860 CO 0.25 -0.42 -0.19 1.03 -0.25 0.00 0.00 175.29 175.72 1rj2 s ARG 861 N 1.78 1.16 -0.28 2.91 1.81 -0.45 -4.56 118.95 121.31 1rj2 s ARG 861 Ca 0.07 -1.27 -0.07 0.00 -1.72 0.00 0.00 55.73 52.74 1rj2 s ARG 861 Cb -0.17 -1.29 0.00 0.00 -0.45 0.00 0.00 34.95 33.05 1rj2 s ARG 861 CO 0.11 0.28 0.08 -1.58 -0.68 0.00 0.00 175.30 173.50 1rj2 s HIS 862 N -1.66 3.13 0.14 -0.53 2.46 0.19 -1.07 115.29 117.94 1rj2 s HIS 862 Ca 0.10 -0.86 -0.11 0.00 0.47 0.00 0.00 55.06 54.66 1rj2 s HIS 862 Cb -0.08 -2.25 -0.06 0.00 -0.13 0.00 0.00 32.58 30.06 1rj2 s HIS 862 CO 0.05 -0.53 0.48 -0.51 -2.47 0.00 0.00 174.74 171.76 1rj2 s LEU 863 N 1.52 4.31 -0.25 8.88 1.43 0.92 -1.55 118.68 133.94 1rj2 s LEU 863 Ca 0.03 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.05 1rj2 s LEU 863 Cb -0.17 -3.24 0.07 0.00 0.03 0.00 0.00 46.19 42.89 1rj2 s LEU 863 CO 0.03 0.09 0.00 -0.36 0.23 0.00 0.00 176.35 176.34 1rj2 s PHE 864 N -1.51 2.17 -0.52 0.29 0.08 -0.37 -1.59 117.98 116.51 1rj2 s PHE 864 Ca 0.38 -1.73 -0.21 0.00 0.12 0.00 0.00 56.93 55.49 1rj2 s PHE 864 Cb -0.14 -1.65 0.05 0.00 -0.57 0.00 0.00 43.02 40.72 1rj2 s PHE 864 CO 0.19 -0.78 0.74 -1.17 -0.10 0.00 0.00 175.22 174.10 1rj2 s LEU 865 N 1.47 4.65 0.00 -0.37 1.98 0.22 -0.59 118.68 126.04 1rj2 s LEU 865 Ca -0.00 -0.72 0.04 0.00 -2.89 0.00 0.00 54.13 50.56 1rj2 s LEU 865 Cb -0.18 -2.58 0.04 0.00 0.66 0.00 0.00 46.19 44.13 1rj2 s LEU 865 CO -0.10 -1.02 0.37 1.41 -1.89 0.00 0.00 176.35 175.12 1rj2 n HIS 866 N 6.65 -2.53 0.09 5.38 8.25 0.84 -0.14 115.22 133.76 1rj2 n HIS 866 Ca -0.04 -1.03 -0.14 0.00 -0.26 0.00 0.00 57.72 56.25 1rj2 n HIS 866 Cb 0.46 -0.26 -0.08 0.00 1.12 0.00 0.00 29.99 31.23 1rj2 n HIS 866 CO 0.00 0.00 0.00 0.93 0.64 0.00 0.00 176.34 177.91 1rj2 h GLU 867 N 0.00 0.34 0.00 -0.41 5.08 -1.38 -3.34 114.58 114.87 1rj2 h GLU 867 Ca -0.13 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.78 1rj2 h GLU 867 Cb 0.60 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1rj2 h GLU 867 CO 0.19 1.15 -1.45 1.63 -1.00 0.00 0.00 179.01 179.53 1rj2 n LYS 868 N -3.65 0.76 -2.01 2.33 5.02 -0.82 -4.89 118.16 114.90 1rj2 n LYS 868 Ca -0.07 -0.10 -0.03 0.00 -2.02 0.00 0.00 58.31 56.08 1rj2 n LYS 868 Cb 0.92 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 1rj2 n LYS 868 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rj2 n ALA 869 N -1.86 -0.35 -3.63 7.82 0.00 -1.26 -0.35 120.51 120.89 1rj2 n ALA 869 Ca -0.01 -0.42 -0.26 0.00 0.00 0.00 0.00 53.44 52.76 1rj2 n ALA 869 Cb 0.40 0.34 -0.17 0.00 0.00 0.00 0.00 19.45 20.02 1rj2 n ALA 869 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rj2 s VAL 870 N -2.66 -0.01 0.15 0.00 1.01 -1.16 -0.11 120.40 117.62 1rj2 s VAL 870 Ca 0.06 -0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 1rj2 s VAL 870 Cb -0.01 -0.60 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 1rj2 s VAL 870 CO 0.05 -0.24 0.57 -0.76 0.00 0.00 0.00 175.10 174.71 1rj2 s LEU 871 N 2.11 4.34 -0.14 3.92 1.02 0.24 -2.46 118.68 127.70 1rj2 s LEU 871 Ca 0.02 1.12 0.01 0.00 0.02 0.00 0.00 54.13 55.29 1rj2 s LEU 871 Cb -0.16 -3.29 -0.00 0.00 0.02 0.00 0.00 46.19 42.76 1rj2 s LEU 871 CO -0.09 0.10 -0.16 -0.36 0.02 0.00 0.00 176.35 175.86 1rj2 s PHE 872 N -1.46 2.76 0.14 0.29 2.99 -0.45 -1.24 117.98 121.01 1rj2 s PHE 872 Ca 0.38 -0.97 0.03 0.00 0.00 0.00 0.00 56.93 56.37 1rj2 s PHE 872 Cb -0.15 -1.85 -0.04 0.00 0.00 0.00 0.00 43.02 40.97 1rj2 s PHE 872 CO 0.19 -0.42 -0.06 0.00 -0.00 0.00 0.00 175.22 174.94 1rj2 s LYS 874 N -3.83 3.43 -0.26 0.00 2.20 0.14 0.54 119.74 121.96 1rj2 s LYS 874 Ca 0.18 -0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 54.93 1rj2 s LYS 874 Cb 0.05 -2.78 0.01 0.00 -1.51 0.00 0.00 37.83 33.59 1rj2 s LYS 874 CO 0.00 0.31 1.15 0.21 -0.36 0.00 0.00 175.35 176.67 1rj2 s LYS 875 N 0.14 4.12 0.28 4.03 2.20 -1.26 -0.31 119.74 128.93 1rj2 s LYS 875 Ca -0.03 1.29 -0.30 0.00 -0.36 0.00 0.00 55.97 56.57 1rj2 s LYS 875 Cb -0.14 -3.75 -0.12 0.00 -1.51 0.00 0.00 37.83 32.32 1rj2 s LYS 875 CO 0.03 -0.84 1.63 0.50 -0.36 0.00 0.00 175.35 176.32 1rj2 s ARG 876 N 3.61 4.11 -1.46 4.03 3.52 0.33 -4.97 118.95 128.12 1rj2 s ARG 876 Ca 0.49 2.61 -0.13 0.00 -0.13 0.00 0.00 55.73 58.57 1rj2 s ARG 876 Cb -0.16 -3.03 -0.02 0.00 -1.56 0.00 0.00 34.95 30.19 1rj2 s ARG 876 CO 0.14 -0.68 2.48 -1.91 -0.81 0.00 0.00 175.30 174.52 1rj2 n GLU 877 N 2.54 3.05 -4.04 5.12 4.07 -1.26 -4.67 120.64 125.45 1rj2 n GLU 877 Ca 0.10 -2.36 -0.36 0.00 -0.06 0.00 0.00 57.16 54.48 1rj2 n GLU 877 Cb 0.37 -3.05 -0.08 0.00 -0.06 0.00 0.00 31.44 28.61 1rj2 n GLU 877 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1rj2 s PRO 887 N 2.94 3.45 0.05 5.31 0.04 -1.26 -5.26 135.00 140.27 1rj2 s PRO 887 Ca 0.56 -0.26 0.02 0.00 0.04 0.00 0.00 61.00 61.36 1rj2 s PRO 887 Cb 0.15 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 1rj2 s PRO 887 CO -0.06 0.63 -0.08 0.45 0.04 0.00 0.00 177.00 177.98 1rj2 s SER 888 N -0.64 0.91 -0.02 6.66 0.15 -1.26 -4.82 113.70 114.69 1rj2 s SER 888 Ca 0.12 -0.58 0.02 0.00 0.70 0.00 0.00 55.95 56.21 1rj2 s SER 888 Cb -0.12 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 1rj2 s SER 888 CO 0.02 -0.21 -0.06 -0.31 1.20 0.00 0.00 173.24 173.88 1rj2 s TYR 889 N -1.49 0.64 -0.26 3.44 1.51 -0.11 -0.51 117.35 120.57 1rj2 s TYR 889 Ca -0.08 -0.14 -0.12 0.00 -1.01 0.00 0.00 57.07 55.72 1rj2 s TYR 889 Cb -0.09 -0.46 -0.05 0.00 -0.11 0.00 0.00 41.96 41.25 1rj2 s TYR 889 CO 0.00 -0.06 0.25 0.45 -1.11 0.00 0.00 175.55 175.08 1rj2 s SER 890 N 0.14 6.14 0.39 2.29 0.15 0.57 -0.35 113.70 123.04 1rj2 s SER 890 Ca -0.01 0.15 -0.27 0.00 0.70 0.00 0.00 55.95 56.52 1rj2 s SER 890 Cb -0.06 -2.15 -0.11 0.00 -1.71 0.00 0.00 66.02 61.99 1rj2 s SER 890 CO -0.00 -0.05 1.29 0.00 1.20 0.00 0.00 173.24 175.67 1rj2 n TYR 891 N 4.86 2.23 0.04 3.44 9.36 -0.70 -0.69 117.16 135.70 1rj2 n TYR 891 Ca -0.12 0.52 -0.01 0.00 3.32 0.00 0.00 57.90 61.61 1rj2 n TYR 891 Cb 0.52 -2.40 -0.00 0.00 -0.63 0.00 0.00 39.34 36.82 1rj2 n TYR 891 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1rj2 n LYS 892 N 0.28 0.03 -3.59 2.98 4.76 0.25 -4.84 118.16 118.02 1rj2 n LYS 892 Ca 0.05 0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.42 1rj2 n LYS 892 Cb 0.38 -0.55 -0.02 0.00 -1.84 0.00 0.00 35.03 33.00 1rj2 n LYS 892 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1rj2 s GLN 893 N -2.04 1.26 0.38 1.97 -2.07 -1.15 -5.00 119.66 113.01 1rj2 s GLN 893 Ca -0.02 -0.57 0.08 0.00 -1.82 0.00 0.00 55.36 53.03 1rj2 s GLN 893 Cb 0.00 0.51 -0.04 0.00 -1.09 0.00 0.00 33.01 32.39 1rj2 s GLN 893 CO 0.02 -0.56 0.20 -1.12 -1.32 0.00 0.00 175.29 172.51 1rj2 s SER 894 N -2.75 4.66 -0.30 12.60 0.01 -1.26 -1.34 113.70 125.32 1rj2 s SER 894 Ca 0.06 -0.88 -0.03 0.00 1.31 0.00 0.00 55.95 56.41 1rj2 s SER 894 Cb -0.02 -0.61 0.10 0.00 0.21 0.00 0.00 66.02 65.70 1rj2 s SER 894 CO -0.05 -0.45 0.13 -0.76 0.41 0.00 0.00 173.24 172.51 1rj2 s LEU 895 N -3.92 0.95 -0.13 2.44 1.43 -1.03 -4.97 118.68 113.45 1rj2 s LEU 895 Ca 0.41 -1.41 -0.37 0.00 -1.03 0.00 0.00 54.13 51.72 1rj2 s LEU 895 Cb -0.00 -0.47 -0.14 0.00 0.03 0.00 0.00 46.19 45.60 1rj2 s LEU 895 CO 0.24 -0.43 1.71 -3.20 0.23 0.00 0.00 176.35 174.90 1rj2 n ASN 896 N 5.10 2.67 -0.88 2.29 4.05 -1.26 -3.00 115.26 124.22 1rj2 n ASN 896 Ca -0.04 1.05 0.00 0.00 0.45 0.00 0.00 54.58 56.04 1rj2 n ASN 896 Cb 0.42 -1.24 0.00 0.00 1.23 0.00 0.00 39.78 40.19 1rj2 n ASN 896 CO 0.00 0.00 0.00 0.80 -3.05 0.00 0.00 177.26 175.01 1rj2 n MET 897 N 5.19 0.40 -4.39 1.20 0.00 0.53 -4.75 117.12 115.30 1rj2 n MET 897 Ca 0.23 0.00 -0.27 0.00 -0.00 0.00 0.00 57.70 57.66 1rj2 n MET 897 Cb 0.20 -1.28 -0.11 0.00 0.00 0.00 0.00 33.22 32.03 1rj2 n MET 897 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1rj2 s THR 898 N 0.23 2.52 -1.64 1.12 -4.23 -1.26 -4.55 115.64 107.82 1rj2 s THR 898 Ca 0.00 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1rj2 s THR 898 Cb 0.00 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.63 1rj2 s THR 898 CO 0.00 -0.10 0.00 0.00 -0.54 0.00 0.00 174.62 173.98 1rj2 n ALA 899 N 0.28 -0.46 -1.95 3.99 0.00 -1.26 -4.90 120.51 116.21 1rj2 n ALA 899 Ca -0.13 0.21 -0.38 0.00 0.00 0.00 0.00 53.44 53.15 1rj2 n ALA 899 Cb 0.56 -1.80 -0.06 0.00 0.00 0.00 0.00 19.45 18.15 1rj2 n ALA 899 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rj2 s VAL 900 N -2.63 4.37 -0.10 0.00 0.11 -1.26 -4.10 120.40 116.79 1rj2 s VAL 900 Ca 0.00 1.63 0.02 0.00 -2.93 0.00 0.00 61.98 60.70 1rj2 s VAL 900 Cb 0.00 -4.03 0.01 0.00 -1.53 0.00 0.00 36.38 30.83 1rj2 s VAL 900 CO 0.00 0.33 -0.17 -0.83 -3.33 0.00 0.00 175.10 171.09 1rj2 s GLY 901 N -1.43 1.09 0.26 6.54 0.00 -0.40 -5.03 107.32 108.34 1rj2 s GLY 901 Ca 0.42 -0.76 0.09 0.00 0.00 0.00 0.00 44.72 44.47 1rj2 s GLY 901 CO 0.24 0.06 0.04 -0.42 0.00 0.00 0.00 173.10 173.03 1rj2 s ILE 902 N 0.77 3.71 -0.41 0.90 -1.09 -1.26 -0.89 121.20 122.93 1rj2 s ILE 902 Ca -0.11 -1.76 0.02 0.00 -2.23 0.00 0.00 60.65 56.57 1rj2 s ILE 902 Cb -0.16 -2.98 0.13 0.00 -1.58 0.00 0.00 42.46 37.88 1rj2 s ILE 902 CO 0.02 -0.35 0.22 -0.89 -1.23 0.00 0.00 174.94 172.71 1rj2 s THR 903 N -2.24 1.13 0.37 2.92 2.01 -0.39 -4.98 115.64 114.47 1rj2 s THR 903 Ca 0.31 -2.31 0.17 0.00 0.31 0.00 0.00 61.69 60.17 1rj2 s THR 903 Cb -0.07 -1.80 0.17 0.00 0.01 0.00 0.00 72.50 70.81 1rj2 s THR 903 CO 0.21 -0.90 1.46 -0.08 -0.69 0.00 0.00 174.62 174.62 1rj2 h GLU 904 N 6.88 0.00 -2.14 4.92 4.81 -1.94 -2.65 114.58 124.46 1rj2 h GLU 904 Ca -0.01 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1rj2 h GLU 904 Cb 0.94 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.10 1rj2 h GLU 904 CO 0.44 0.00 -0.11 -0.80 -0.73 0.00 0.00 179.01 177.81 1rj2 s ASN 905 N -3.69 -0.89 0.25 1.04 0.02 -1.26 -4.80 114.94 105.61 1rj2 s ASN 905 Ca -0.02 1.40 0.10 0.00 -1.02 0.00 0.00 52.86 53.32 1rj2 s ASN 905 Cb 0.05 1.62 -0.04 0.00 0.02 0.00 0.00 41.25 42.89 1rj2 s ASN 905 CO 0.16 -0.23 -0.05 0.68 0.02 0.00 0.00 177.10 177.67 1rj2 s VAL 906 N 2.14 3.24 -0.11 1.60 -7.23 -1.23 -5.02 120.40 113.79 1rj2 s VAL 906 Ca -0.08 -1.95 -0.21 0.00 -1.81 0.00 0.00 61.98 57.94 1rj2 s VAL 906 Cb -0.09 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.11 1rj2 s VAL 906 CO -0.18 -0.33 0.58 -1.59 -0.31 0.00 0.00 175.10 173.27 1rj2 s LYS 907 N -3.49 4.36 0.00 4.82 0.00 -1.26 -4.24 119.74 119.93 1rj2 s LYS 907 Ca 0.30 0.63 0.00 0.00 0.00 0.00 0.00 55.97 56.90 1rj2 s LYS 907 Cb -0.07 -3.46 0.00 0.00 0.00 0.00 0.00 37.83 34.30 1rj2 s LYS 907 CO 0.18 0.06 0.00 0.41 0.00 0.00 0.00 175.35 176.01 1rj2 n GLY 908 N 3.29 3.90 3.64 0.59 0.00 -1.26 -5.08 105.19 110.27 1rj2 n GLY 908 Ca -0.04 -0.61 -0.05 0.00 0.00 0.00 0.00 46.02 45.32 1rj2 n GLY 908 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1rj2 s ASP 909 N 0.00 -0.46 0.00 1.61 3.84 -1.26 -5.02 116.67 115.37 1rj2 s ASP 909 Ca 0.00 0.80 0.00 0.00 -0.00 0.00 0.00 52.55 53.35 1rj2 s ASP 909 Cb 0.00 1.03 0.00 0.00 -1.38 0.00 0.00 42.92 42.57 1rj2 s ASP 909 CO 0.00 -0.13 0.88 0.35 -0.00 0.00 0.00 175.17 176.27 1rj2 n THR 910 N 3.05 1.52 0.88 2.11 -2.24 -1.26 -1.23 114.28 117.12 1rj2 n THR 910 Ca -0.16 0.39 0.12 0.00 -2.27 0.00 0.00 64.05 62.13 1rj2 n THR 910 Cb 0.57 -1.39 0.29 0.00 -2.10 0.00 0.00 70.33 67.70 1rj2 n THR 910 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1rj2 n LYS 911 N -1.38 2.11 -4.27 -0.78 0.00 -1.26 -4.56 118.16 108.02 1rj2 n LYS 911 Ca 0.00 -1.65 -0.35 0.00 -0.00 0.00 0.00 58.31 56.31 1rj2 n LYS 911 Cb 0.01 -1.46 -0.10 0.00 -0.00 0.00 0.00 35.03 33.48 1rj2 n LYS 911 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1rj2 s LYS 912 N -1.74 3.32 0.17 -1.58 1.02 -0.37 -0.21 119.74 120.36 1rj2 s LYS 912 Ca 0.35 -0.39 -0.07 0.00 0.02 0.00 0.00 55.97 55.87 1rj2 s LYS 912 Cb 0.20 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.57 1rj2 s LYS 912 CO 0.30 0.55 0.25 -0.59 -0.92 0.00 0.00 175.35 174.94 1rj2 s PHE 913 N -0.45 0.57 -0.02 3.18 -0.12 -1.01 -3.49 117.98 116.64 1rj2 s PHE 913 Ca 0.08 -0.92 -0.02 0.00 -0.05 0.00 0.00 56.93 56.02 1rj2 s PHE 913 Cb -0.12 -0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.11 1rj2 s PHE 913 CO 0.02 -0.71 0.07 -1.83 -0.05 0.00 0.00 175.22 172.72 1rj2 s GLU 914 N -4.01 0.10 -0.20 1.99 -1.05 -1.00 -2.25 118.70 112.28 1rj2 s GLU 914 Ca 0.22 0.05 -0.07 0.00 -0.15 0.00 0.00 54.97 55.02 1rj2 s GLU 914 Cb 0.04 0.05 -0.04 0.00 -0.44 0.00 0.00 34.13 33.74 1rj2 s GLU 914 CO 0.03 -0.01 0.06 0.42 0.95 0.00 0.00 175.26 176.70 1rj2 s ILE 915 N -0.08 4.54 0.04 1.83 1.01 0.58 -1.26 121.20 127.86 1rj2 s ILE 915 Ca -0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.50 1rj2 s ILE 915 Cb -0.01 -3.07 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 1rj2 s ILE 915 CO 0.00 0.42 0.03 -1.66 0.00 0.00 0.00 174.94 173.73 1rj2 s TRP 916 N 0.78 0.30 0.14 3.97 1.48 -0.06 0.14 118.94 125.69 1rj2 s TRP 916 Ca 0.03 -0.67 0.09 0.00 -1.06 0.00 0.00 56.10 54.49 1rj2 s TRP 916 Cb -0.14 -0.22 -0.04 0.00 -1.16 0.00 0.00 33.47 31.91 1rj2 s TRP 916 CO 0.02 -0.33 -0.13 0.71 -4.06 0.00 0.00 176.95 173.16 1rj2 s TYR 917 N -2.71 2.61 0.00 1.66 1.51 -0.07 -1.28 117.35 119.08 1rj2 s TYR 917 Ca -0.04 -0.23 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1rj2 s TYR 917 Cb -0.01 -1.33 0.00 0.00 -0.11 0.00 0.00 41.96 40.51 1rj2 s TYR 917 CO -0.05 0.45 0.00 0.09 -1.11 0.00 0.00 175.55 174.93 1rj2 n ASN 918 N 0.46 0.00 0.00 2.29 5.03 -1.26 -2.21 115.26 119.57 1rj2 n ASN 918 Ca -0.13 0.00 0.15 0.00 0.87 0.00 0.00 54.58 55.47 1rj2 n ASN 918 Cb 0.54 0.00 0.87 0.00 -1.02 0.00 0.00 39.78 40.17 1rj2 n ASN 918 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rj2 n ALA 919 N 8.45 2.59 0.00 5.41 0.00 -1.26 -4.82 120.51 130.88 1rj2 n ALA 919 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1rj2 n ALA 919 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1rj2 n ALA 919 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rj2 n ARG 920 N -1.05 0.00 0.00 0.00 1.74 -0.94 -4.96 116.66 111.45 1rj2 n ARG 920 Ca 0.21 0.00 0.14 0.00 -0.77 0.00 0.00 57.85 57.43 1rj2 n ARG 920 Cb 0.13 0.00 0.64 0.00 -1.02 0.00 0.00 32.46 32.21 1rj2 n ARG 920 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1rj2 n GLU 921 N -1.32 0.39 -3.87 5.56 0.00 -1.25 -4.48 120.64 115.65 1rj2 n GLU 921 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 57.16 56.83 1rj2 n GLU 921 Cb 0.00 -1.50 -0.17 0.00 0.00 0.00 0.00 31.44 29.77 1rj2 n GLU 921 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 1rj2 s GLU 922 N -2.66 1.27 -0.08 3.44 2.12 -1.24 -1.75 118.70 119.79 1rj2 s GLU 922 Ca 0.24 -0.15 -0.09 0.00 0.36 0.00 0.00 54.97 55.33 1rj2 s GLU 922 Cb 0.20 -1.41 0.02 0.00 0.26 0.00 0.00 34.13 33.20 1rj2 s GLU 922 CO 0.50 -0.27 0.24 0.08 -0.54 0.00 0.00 175.26 175.27 1rj2 s VAL 923 N 1.77 0.01 -0.10 3.70 1.01 -1.25 -0.89 120.40 124.64 1rj2 s VAL 923 Ca 0.05 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.00 1rj2 s VAL 923 Cb -0.12 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 35.91 1rj2 s VAL 923 CO -0.07 -0.03 -0.16 -0.31 0.00 0.00 0.00 175.10 174.53 1rj2 s TYR 924 N 0.01 1.99 -0.30 5.22 1.51 0.37 -2.73 117.35 123.42 1rj2 s TYR 924 Ca -0.01 -0.90 -0.08 0.00 -1.01 0.00 0.00 57.07 55.06 1rj2 s TYR 924 Cb -0.02 -1.42 -0.00 0.00 -0.11 0.00 0.00 41.96 40.41 1rj2 s TYR 924 CO 0.01 -0.45 0.12 0.42 -1.11 0.00 0.00 175.55 174.53 1rj2 s ILE 925 N 0.88 4.32 -0.15 2.71 1.09 0.04 -0.31 121.20 129.79 1rj2 s ILE 925 Ca -0.09 -0.51 -0.04 0.00 -1.10 0.00 0.00 60.65 58.92 1rj2 s ILE 925 Cb -0.15 -3.20 -0.03 0.00 -1.06 0.00 0.00 42.46 38.02 1rj2 s ILE 925 CO 0.00 0.09 -0.03 -0.63 -0.10 0.00 0.00 174.94 174.28 1rj2 s ILE 926 N 1.57 3.97 -0.24 2.92 1.09 -0.95 -0.72 121.20 128.84 1rj2 s ILE 926 Ca 0.04 -0.33 -0.05 0.00 -1.10 0.00 0.00 60.65 59.21 1rj2 s ILE 926 Cb -0.17 -2.74 -0.02 0.00 -1.06 0.00 0.00 42.46 38.47 1rj2 s ILE 926 CO 0.04 0.50 0.01 -1.58 -0.10 0.00 0.00 174.94 173.81 1rj2 s GLN 927 N 0.30 3.48 0.54 2.79 0.74 -0.20 -2.40 119.66 124.91 1rj2 s GLN 927 Ca -0.03 -0.58 -0.10 0.00 0.05 0.00 0.00 55.36 54.70 1rj2 s GLN 927 Cb -0.14 -3.15 -0.05 0.00 1.10 0.00 0.00 33.01 30.77 1rj2 s GLN 927 CO 0.03 -0.21 0.93 0.00 -0.55 0.00 0.00 175.29 175.49 1rj2 s ALA 928 N 1.53 3.21 -1.24 1.58 0.00 0.71 -2.21 121.76 125.34 1rj2 s ALA 928 Ca 0.06 -0.18 0.12 0.00 0.00 0.00 0.00 51.96 51.96 1rj2 s ALA 928 Cb -0.15 -2.91 0.58 0.00 0.00 0.00 0.00 23.12 20.64 1rj2 s ALA 928 CO -0.00 -0.46 1.34 -0.35 0.00 0.00 0.00 175.76 176.28 1rj2 n PRO 929 N -2.30 0.10 -3.54 0.00 -0.04 -1.26 -4.74 135.00 123.21 1rj2 n PRO 929 Ca 0.04 0.22 -0.16 0.00 -0.04 0.00 0.00 63.50 63.57 1rj2 n PRO 929 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 1rj2 n PRO 929 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1rj2 s THR 930 N -2.76 0.00 0.54 0.52 -4.23 -1.26 -5.02 115.64 103.44 1rj2 s THR 930 Ca 0.09 0.00 0.41 0.00 -1.18 0.00 0.00 61.69 61.01 1rj2 s THR 930 Cb 0.08 -1.00 0.43 0.00 1.34 0.00 0.00 72.50 73.35 1rj2 s THR 930 CO 0.20 0.00 2.28 -0.65 -0.54 0.00 0.00 174.62 175.91 1rj2 h PRO 931 N 3.03 0.00 0.42 3.99 0.11 -1.85 -2.09 132.00 135.60 1rj2 h PRO 931 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1rj2 h PRO 931 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1rj2 h PRO 931 CO 0.35 0.01 -0.20 0.93 -0.21 0.00 0.00 178.00 178.87 1rj2 h GLU 932 N 0.00 -0.54 -0.32 1.05 3.07 -1.95 -2.28 114.58 113.60 1rj2 h GLU 932 Ca -0.00 0.04 0.05 0.00 -0.50 0.00 0.00 59.36 58.95 1rj2 h GLU 932 Cb 0.11 0.12 -0.08 0.00 -0.84 0.00 0.00 28.75 28.07 1rj2 h GLU 932 CO 0.00 -0.28 -0.49 0.82 -1.40 0.00 0.00 179.01 177.66 1rj2 h ILE 933 N -1.08 0.06 -0.94 3.13 2.04 -1.84 0.14 117.51 119.02 1rj2 h ILE 933 Ca -0.06 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.03 1rj2 h ILE 933 Cb 0.51 0.06 -0.17 0.00 -0.74 0.00 0.00 36.82 36.47 1rj2 h ILE 933 CO 0.09 0.00 -0.06 0.50 0.00 0.00 0.00 178.15 178.68 1rj2 h LYS 934 N -0.42 0.02 0.15 2.37 3.64 -1.45 0.15 116.57 121.02 1rj2 h LYS 934 Ca 0.09 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 1rj2 h LYS 934 Cb 0.62 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.40 1rj2 h LYS 934 CO -0.54 0.02 -0.41 0.00 -2.27 0.00 0.00 179.45 176.25 1rj2 h ALA 935 N 1.93 -0.93 -0.49 5.00 0.00 -0.12 -0.22 119.26 124.43 1rj2 h ALA 935 Ca 0.52 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.43 1rj2 h ALA 935 Cb 0.97 0.77 -0.10 0.00 0.00 0.00 0.00 17.79 19.43 1rj2 h ALA 935 CO -0.90 -1.02 -0.27 0.00 0.00 0.00 0.00 179.25 177.06 1rj2 h ALA 936 N -0.83 0.02 0.04 0.00 0.00 -0.18 0.23 119.26 118.54 1rj2 h ALA 936 Ca -0.01 0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1rj2 h ALA 936 Cb 0.60 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1rj2 h ALA 936 CO -0.19 -0.63 -0.13 -1.49 0.00 0.00 0.00 179.25 176.81 1rj2 h TRP 937 N -0.16 -0.34 -0.64 0.00 4.06 -0.96 0.79 115.95 118.69 1rj2 h TRP 937 Ca 0.22 0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.25 1rj2 h TRP 937 Cb 0.51 0.15 -0.06 0.00 -1.00 0.00 0.00 29.16 28.75 1rj2 h TRP 937 CO -0.54 -0.20 0.31 0.28 -3.56 0.00 0.00 178.44 174.73 1rj2 h VAL 938 N -0.25 0.88 0.31 1.49 2.07 -0.36 0.11 116.25 120.50 1rj2 h VAL 938 Ca 0.03 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1rj2 h VAL 938 Cb 0.28 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1rj2 h VAL 938 CO -0.10 0.10 -0.15 -1.13 0.02 0.00 0.00 177.57 176.31 1rj2 h ASN 939 N 0.55 -0.35 -0.04 0.57 -0.73 0.40 -0.68 115.58 115.30 1rj2 h ASN 939 Ca 0.30 -0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.46 1rj2 h ASN 939 Cb 0.28 0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.96 1rj2 h ASN 939 CO -0.24 -0.20 0.04 -0.08 -0.37 0.00 0.00 177.43 176.57 1rj2 h GLU 940 N -0.48 0.00 -0.09 6.67 4.57 0.10 -1.13 114.58 124.22 1rj2 h GLU 940 Ca -0.04 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 57.98 1rj2 h GLU 940 Cb 0.36 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1rj2 h GLU 940 CO 0.07 0.00 -0.55 0.82 -1.18 0.00 0.00 179.01 178.17 1rj2 h ILE 941 N 0.00 1.36 -0.30 2.32 2.04 -0.24 -2.62 117.51 120.07 1rj2 h ILE 941 Ca 0.02 -1.88 0.06 0.00 1.00 0.00 0.00 64.86 64.07 1rj2 h ILE 941 Cb 0.09 2.22 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 1rj2 h ILE 941 CO -0.00 0.57 -0.13 0.03 0.00 0.00 0.00 178.15 178.62 1rj2 h ARG 942 N 0.14 -0.08 -0.57 2.37 2.47 0.11 -1.09 114.38 117.74 1rj2 h ARG 942 Ca -0.04 0.01 0.10 0.00 -1.26 0.00 0.00 59.98 58.78 1rj2 h ARG 942 Cb 1.20 0.02 -0.08 0.00 -1.65 0.00 0.00 29.97 29.46 1rj2 h ARG 942 CO 0.11 -0.05 0.15 0.87 0.56 0.00 0.00 179.97 181.61 1rj2 h LYS 943 N -0.08 0.28 0.06 0.04 1.57 -1.42 0.14 116.57 117.16 1rj2 h LYS 943 Ca 0.15 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1rj2 h LYS 943 Cb 0.31 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1rj2 h LYS 943 CO -0.35 0.19 -0.03 0.28 -0.57 0.00 0.00 179.45 178.97 1rj2 h VAL 944 N 0.29 0.98 -0.57 0.50 2.07 -0.86 0.35 116.25 119.02 1rj2 h VAL 944 Ca 0.29 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.68 1rj2 h VAL 944 Cb 0.40 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1rj2 h VAL 944 CO -0.35 0.03 0.38 -0.07 0.02 0.00 0.00 177.57 177.58 1rj2 h LEU 945 N -0.14 0.65 -0.67 2.57 -0.00 -0.79 2.51 115.31 119.44 1rj2 h LEU 945 Ca -0.01 -0.02 0.11 0.00 -0.00 0.00 0.00 57.88 57.96 1rj2 h LEU 945 Cb 0.12 -0.16 -0.08 0.00 -0.00 0.00 0.00 40.66 40.53 1rj2 h LEU 945 CO 0.01 0.48 0.27 0.74 -0.00 0.00 0.00 178.44 179.93 1rj2 h THR 946 N 0.77 0.75 0.12 0.22 2.02 -0.36 2.05 112.91 118.48 1rj2 h THR 946 Ca 0.21 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 1rj2 h THR 946 Cb -0.09 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1rj2 h THR 946 CO -0.04 0.08 -0.06 -1.28 0.37 0.00 0.00 175.52 174.59 1rj2 h SER 947 N 0.45 -0.14 -0.68 4.18 0.87 0.79 -1.28 113.55 117.73 1rj2 h SER 947 Ca 0.35 -0.39 0.11 0.00 -1.23 0.00 0.00 61.79 60.63 1rj2 h SER 947 Cb 0.45 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 62.36 1rj2 h SER 947 CO -0.33 0.37 0.27 -0.61 -0.53 0.00 0.00 176.83 176.00 1rj2 h GLN 948 N -0.70 0.44 0.00 2.24 5.75 0.50 -1.42 115.11 121.92 1rj2 h GLN 948 Ca -0.02 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 1rj2 h GLN 948 Cb 0.52 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1rj2 h GLN 948 CO 0.03 0.29 0.00 1.28 -2.65 0.00 0.00 178.83 177.78 1rj2 n LEU 949 N -4.98 0.00 -0.57 -2.39 4.77 0.69 -2.42 117.00 112.09 1rj2 n LEU 949 Ca 0.11 0.84 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1rj2 n LEU 949 Cb 0.33 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1rj2 n LEU 949 CO 0.21 -0.34 0.02 0.00 -1.33 0.00 0.00 177.39 175.95 1rj2 n GLN 950 N -1.61 0.08 -0.91 3.23 6.02 -0.49 -1.70 117.38 122.01 1rj2 n GLN 950 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 1rj2 n GLN 950 Cb 0.00 -1.10 0.23 0.00 1.02 0.00 0.00 30.24 30.39 1rj2 n GLN 950 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rj2 n ALA 951 N 0.53 4.50 0.00 -1.58 0.00 -0.55 -4.27 120.51 119.15 1rj2 n ALA 951 Ca 0.00 -2.76 0.00 0.00 0.00 0.00 0.00 53.44 50.68 1rj2 n ALA 951 Cb 0.02 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1rj2 n ALA 951 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rj2 n ARG 953 N -1.86 -0.08 -0.29 0.00 3.00 -1.23 0.13 116.66 116.33 1rj2 n ARG 953 Ca 0.00 1.46 0.07 0.00 -0.00 0.00 0.00 57.85 59.38 1rj2 n ARG 953 Cb 0.00 -2.21 0.19 0.00 0.00 0.00 0.00 32.46 30.45 1rj2 n ARG 953 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 1rj2 n GLU 954 N -5.51 2.84 -3.31 -0.14 0.00 -1.26 -4.70 120.64 108.57 1rj2 n GLU 954 Ca 0.17 -2.42 -0.25 0.00 0.00 0.00 0.00 57.16 54.66 1rj2 n GLU 954 Cb 0.52 -1.53 -0.08 0.00 0.00 0.00 0.00 31.44 30.35 1rj2 n GLU 954 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1rj2 n ALA 955 N -0.10 3.14 -0.52 -1.84 0.00 0.35 -4.74 120.51 116.80 1rj2 n ALA 955 Ca 0.16 -3.98 0.00 0.00 0.00 0.00 0.00 53.44 49.62 1rj2 n ALA 955 Cb 0.64 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1rj2 n ALA 955 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1rj2 n SER 956 N 1.23 0.00 0.00 0.00 3.41 -1.11 -4.27 113.62 112.88 1rj2 n SER 956 Ca 0.25 0.00 0.14 0.00 -0.26 0.00 0.00 58.87 58.99 1rj2 n SER 956 Cb 0.48 0.00 0.75 0.00 -0.26 0.00 0.00 64.21 65.18 1rj2 n SER 956 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rj2 n GLN 957 N 0.00 0.63 0.00 4.33 3.00 -1.26 -5.18 117.38 118.91 1rj2 n GLN 957 Ca 0.00 0.02 0.06 0.00 -0.01 0.00 0.00 57.00 57.06 1rj2 n GLN 957 Cb 0.00 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 28.79 1rj2 n GLN 957 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78