#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wmm h MET 644 N 0.00 0.72 0.59 -1.40 0.00 -2.04 -1.28 114.93 111.53 2wmm h MET 644 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 59.70 59.62 2wmm h MET 644 Cb 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 31.60 31.44 2wmm h MET 644 CO 0.00 0.49 -0.28 0.93 0.00 0.00 0.00 176.91 178.04 2wmm h GLU 645 N 0.74 -0.76 -0.85 1.72 5.08 -1.99 -2.02 114.58 116.50 2wmm h GLU 645 Ca 0.20 0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.81 2wmm h GLU 645 Cb -0.07 0.17 -0.12 0.00 0.50 0.00 0.00 28.75 29.23 2wmm h GLU 645 CO -0.04 -0.49 0.34 -0.09 -1.00 0.00 0.00 179.01 177.72 2wmm h ARG 646 N -1.19 0.37 -0.02 2.33 2.43 -1.79 -0.34 114.38 116.17 2wmm h ARG 646 Ca -0.08 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.94 2wmm h ARG 646 Cb 0.62 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2wmm h ARG 646 CO 0.13 0.25 -0.57 -0.44 -1.51 0.00 0.00 179.97 177.83 2wmm h ASP 647 N 0.38 0.06 0.20 -3.80 3.32 -1.26 -2.38 116.42 112.94 2wmm h ASP 647 Ca 0.51 -0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.44 2wmm h ASP 647 Cb 0.94 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 2wmm h ASP 647 CO -0.51 0.62 -0.36 -0.08 -1.72 0.00 0.00 179.24 177.18 2wmm h GLU 648 N 0.04 0.23 -0.20 3.56 4.81 -0.30 -0.26 114.58 122.45 2wmm h GLU 648 Ca -0.00 -0.10 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 2wmm h GLU 648 Cb 1.02 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2wmm h GLU 648 CO 0.08 0.56 0.02 0.28 -0.73 0.00 0.00 179.01 179.22 2wmm h VAL 649 N 0.20 1.24 -0.34 0.32 2.07 -1.11 0.18 116.25 118.80 2wmm h VAL 649 Ca 0.02 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2wmm h VAL 649 Cb 0.73 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2wmm h VAL 649 CO 0.06 0.25 0.16 1.23 0.02 0.00 0.00 177.57 179.28 2wmm h GLY 650 N 0.12 0.46 0.81 2.17 0.00 -1.08 0.19 103.07 105.74 2wmm h GLY 650 Ca 0.06 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.31 2wmm h GLY 650 CO 0.01 0.08 0.31 0.00 0.00 0.00 0.00 176.54 176.94 2wmm h ALA 651 N 1.19 0.71 -0.26 3.60 0.00 -0.84 0.59 119.26 124.24 2wmm h ALA 651 Ca 0.15 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2wmm h ALA 651 Cb 0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2wmm h ALA 651 CO -0.11 0.01 -0.16 1.25 0.00 0.00 0.00 179.25 180.23 2wmm h HIS 652 N 0.61 0.49 0.04 0.00 6.17 -0.61 -1.48 115.15 120.37 2wmm h HIS 652 Ca 0.23 -0.08 -0.00 0.00 0.71 0.00 0.00 60.37 61.23 2wmm h HIS 652 Cb 0.07 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 29.88 2wmm h HIS 652 CO -0.08 0.60 -0.02 -0.22 0.71 0.00 0.00 177.93 178.92 2wmm h LYS 653 N 0.41 -0.05 -0.93 5.26 3.64 0.33 -1.19 116.57 124.04 2wmm h LYS 653 Ca 0.07 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2wmm h LYS 653 Cb 0.53 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 2wmm h LYS 653 CO 0.03 0.09 0.61 -0.91 -2.27 0.00 0.00 179.45 177.01 2wmm h ASN 654 N -0.19 1.05 -0.25 4.20 2.35 -0.68 -0.11 115.58 121.96 2wmm h ASN 654 Ca -0.01 -0.02 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2wmm h ASN 654 Cb 0.17 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 2wmm h ASN 654 CO 0.01 0.75 0.09 0.00 -1.65 0.00 0.00 177.43 176.63 2wmm h ALA 655 N 1.35 0.28 -0.31 -0.83 0.00 -1.03 0.24 119.26 118.96 2wmm h ALA 655 Ca 0.35 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.29 2wmm h ALA 655 Cb -0.11 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2wmm h ALA 655 CO -0.08 -0.32 0.20 0.28 0.00 0.00 0.00 179.25 179.32 2wmm h VAL 656 N 0.20 1.07 -0.61 0.00 2.07 -0.54 -2.18 116.25 116.26 2wmm h VAL 656 Ca 0.11 -0.14 0.11 0.00 0.82 0.00 0.00 66.70 67.60 2wmm h VAL 656 Cb 0.08 0.62 -0.08 0.00 -1.52 0.00 0.00 31.29 30.39 2wmm h VAL 656 CO -0.11 0.07 0.17 0.44 0.02 0.00 0.00 177.57 178.17 2wmm h ASP 657 N 0.41 0.09 -0.84 0.57 5.19 -0.48 -0.94 116.42 120.42 2wmm h ASP 657 Ca 0.12 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 2wmm h ASP 657 Cb -0.04 0.12 -0.04 0.00 0.18 0.00 0.00 39.33 39.55 2wmm h ASP 657 CO -0.03 0.05 0.53 -0.33 -3.12 0.00 0.00 179.24 176.34 2wmm h GLU 658 N 0.32 1.13 -0.15 3.56 5.08 -0.44 -0.57 114.58 123.50 2wmm h GLU 658 Ca 0.32 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.43 2wmm h GLU 658 Cb 0.45 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2wmm h GLU 658 CO -0.37 0.77 -0.58 1.49 -1.00 0.00 0.00 179.01 179.32 2wmm h GLU 659 N 1.15 0.48 -0.45 2.33 4.81 -0.71 -2.30 114.58 119.89 2wmm h GLU 659 Ca 0.30 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2wmm h GLU 659 Cb -0.08 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2wmm h GLU 659 CO -0.06 0.92 0.30 0.82 -0.73 0.00 0.00 179.01 180.25 2wmm h ILE 660 N 0.36 1.12 -0.15 2.32 2.04 -0.53 -0.30 117.51 122.37 2wmm h ILE 660 Ca 0.00 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.69 2wmm h ILE 660 Cb 1.11 0.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.61 2wmm h ILE 660 CO 0.10 0.11 -0.11 -0.33 0.00 0.00 0.00 178.15 177.93 2wmm h GLU 661 N 0.61 -0.11 0.46 2.37 4.39 -0.96 -0.01 114.58 121.33 2wmm h GLU 661 Ca 0.16 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 2wmm h GLU 661 Cb -0.07 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 2wmm h GLU 661 CO -0.04 -0.07 -0.35 0.00 -1.16 0.00 0.00 179.01 177.40 2wmm h ARG 662 N -0.11 -0.76 0.00 2.33 3.08 -1.11 -2.54 114.38 115.27 2wmm h ARG 662 Ca 0.09 0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2wmm h ARG 662 Cb 0.25 0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 2wmm h ARG 662 CO -0.22 -0.51 -0.01 -0.07 -1.07 0.00 0.00 179.97 178.10 2wmm h LEU 663 N -0.79 0.00 -0.26 3.04 4.07 -0.87 -2.74 115.31 117.76 2wmm h LEU 663 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 2wmm h LEU 663 Cb 0.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.41 2wmm h LEU 663 CO 0.00 0.01 -0.36 -1.20 -1.08 0.00 0.00 178.44 175.81 2wmm n SER 664 N -3.21 0.77 -4.77 -0.43 7.64 -0.03 -4.93 113.62 108.65 2wmm n SER 664 Ca -0.03 -0.58 -0.40 0.00 1.01 0.00 0.00 58.87 58.87 2wmm n SER 664 Cb 0.11 0.18 0.01 0.00 -1.01 0.00 0.00 64.21 63.50 2wmm n SER 664 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2wmm s GLN 665 N -2.73 3.76 0.70 1.43 -1.52 -1.04 -4.97 119.66 115.29 2wmm s GLN 665 Ca 0.18 2.41 -0.12 0.00 -1.95 0.00 0.00 55.36 55.88 2wmm s GLN 665 Cb 0.18 -2.70 0.01 0.00 -0.22 0.00 0.00 33.01 30.29 2wmm s GLN 665 CO 0.60 -0.75 1.07 -1.25 -0.25 0.00 0.00 175.29 174.71 2wmm s PRO 666 N -2.39 2.79 0.00 2.91 0.04 -1.26 -4.95 135.00 132.14 2wmm s PRO 666 Ca 0.60 1.12 0.00 0.00 0.04 0.00 0.00 61.00 62.76 2wmm s PRO 666 Cb -0.43 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.14 2wmm s PRO 666 CO 0.56 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.78 2wmm n GLY 667 N -1.39 0.90 2.96 0.56 0.00 -1.26 -4.89 105.19 102.06 2wmm n GLY 667 Ca 0.09 -1.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.01 2wmm n GLY 667 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wmm n GLY 668 N 0.00 -0.47 3.86 -0.02 0.00 -1.01 -4.94 105.19 102.60 2wmm n GLY 668 Ca 0.00 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2wmm n GLY 668 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wmm s SER 669 N -2.71 5.84 -0.04 1.61 1.04 -1.26 -4.74 113.70 113.43 2wmm s SER 669 Ca 0.29 1.42 -0.06 0.00 0.48 0.00 0.00 55.95 58.07 2wmm s SER 669 Cb -0.13 -2.38 0.01 0.00 0.10 0.00 0.00 66.02 63.63 2wmm s SER 669 CO 0.36 -1.12 0.16 -0.70 0.98 0.00 0.00 173.24 172.91 2wmm s GLU 670 N -5.17 0.29 -0.24 4.02 2.12 -1.26 -5.01 118.70 113.45 2wmm s GLU 670 Ca 0.56 0.03 -0.38 0.00 0.36 0.00 0.00 54.97 55.55 2wmm s GLU 670 Cb -0.12 0.13 -0.14 0.00 0.26 0.00 0.00 34.13 34.26 2wmm s GLU 670 CO 0.54 -0.05 1.85 -3.47 -0.54 0.00 0.00 175.26 173.59 2wmm n ASP 671 N 2.49 2.68 0.28 -1.70 -0.08 -1.26 -4.80 116.55 114.16 2wmm n ASP 671 Ca -0.16 0.95 0.16 0.00 -1.51 0.00 0.00 54.79 54.23 2wmm n ASP 671 Cb 0.58 -1.22 0.75 0.00 2.34 0.00 0.00 41.12 43.56 2wmm n ASP 671 CO 0.00 0.00 0.00 1.56 0.12 0.00 0.00 177.20 178.88 2wmm h GLN 672 N 8.55 0.00 0.00 -0.67 4.20 -2.05 -0.70 115.11 124.43 2wmm h GLN 672 Ca -0.44 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.16 2wmm h GLN 672 Cb 1.31 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 2wmm h GLN 672 CO 0.97 0.00 -0.59 0.00 -0.67 0.00 0.00 178.83 178.54 2wmm h ARG 673 N 0.00 0.00 -0.90 1.46 3.08 -1.97 -3.35 114.38 112.70 2wmm h ARG 673 Ca 0.04 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.30 2wmm h ARG 673 Cb 0.86 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.85 2wmm h ARG 673 CO -0.00 0.49 0.60 -0.07 -1.07 0.00 0.00 179.97 179.92 2wmm h LEU 674 N 0.00 0.37 -0.00 3.04 3.38 -1.48 -2.70 115.31 117.92 2wmm h LEU 674 Ca -0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wmm h LEU 674 Cb 1.41 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.13 2wmm h LEU 674 CO 0.06 0.14 0.00 0.78 0.09 0.00 0.00 178.44 179.52 2wmm h ASN 675 N 0.37 0.00 -0.65 -0.43 2.35 -1.77 -1.44 115.58 114.02 2wmm h ASN 675 Ca 0.47 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 56.02 2wmm h ASN 675 Cb 1.22 -0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.57 2wmm h ASN 675 CO -0.17 0.14 0.20 0.00 -1.65 0.00 0.00 177.43 175.96 2wmm h ALA 676 N 0.86 0.85 -0.65 -0.83 0.00 -1.74 -2.59 119.26 115.16 2wmm h ALA 676 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2wmm h ALA 676 Cb 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2wmm h ALA 676 CO -0.00 0.53 0.32 -0.07 0.00 0.00 0.00 179.25 180.03 2wmm h LEU 677 N 0.95 0.85 -0.95 0.00 4.07 -1.43 0.45 115.31 119.26 2wmm h LEU 677 Ca 0.21 -0.13 0.06 0.00 0.08 0.00 0.00 57.88 58.10 2wmm h LEU 677 Cb 0.30 -0.22 -0.06 0.00 1.08 0.00 0.00 40.66 41.76 2wmm h LEU 677 CO -0.01 0.74 0.61 0.00 -1.08 0.00 0.00 178.44 178.70 2wmm h ALA 678 N 1.15 1.30 -0.17 1.53 0.00 -1.11 0.55 119.26 122.51 2wmm h ALA 678 Ca 0.22 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 2wmm h ALA 678 Cb 0.11 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2wmm h ALA 678 CO -0.03 0.40 -0.15 0.93 0.00 0.00 0.00 179.25 180.39 2wmm h GLU 679 N 1.11 0.40 -0.56 0.00 5.08 -0.97 1.18 114.58 120.83 2wmm h GLU 679 Ca 0.40 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 2wmm h GLU 679 Cb 0.14 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 2wmm h GLU 679 CO -0.16 0.76 0.27 -0.09 -1.00 0.00 0.00 179.01 178.79 2wmm h ARG 680 N 0.04 0.78 -0.00 2.33 2.43 0.81 -1.53 114.38 119.24 2wmm h ARG 680 Ca 0.03 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2wmm h ARG 680 Cb 0.68 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2wmm h ARG 680 CO 0.04 0.60 -0.15 1.19 -1.51 0.00 0.00 179.97 180.14 2wmm n PHE 681 N -4.37 0.00 -2.16 2.20 3.72 0.18 -4.91 117.46 112.13 2wmm n PHE 681 Ca 0.05 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.38 2wmm n PHE 681 Cb 0.12 -0.21 -0.00 0.00 -0.94 0.00 0.00 39.48 38.45 2wmm n PHE 681 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wmm n GLY 682 N 1.33 0.11 2.79 1.37 0.00 -0.52 -4.93 105.19 105.34 2wmm n GLY 682 Ca 0.13 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.31 2wmm n GLY 682 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wmm n GLY 683 N -1.01 3.55 2.98 -0.02 0.00 0.40 -4.65 105.19 106.44 2wmm n GLY 683 Ca -0.08 -2.32 -0.21 0.00 0.00 0.00 0.00 46.02 43.41 2wmm n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wmm s VAL 684 N -2.33 0.80 0.34 1.61 1.01 0.11 -4.19 120.40 117.74 2wmm s VAL 684 Ca 0.04 -0.32 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 2wmm s VAL 684 Cb -0.00 -0.74 -0.11 0.00 0.00 0.00 0.00 36.38 35.53 2wmm s VAL 684 CO 0.03 0.27 1.42 -0.76 0.00 0.00 0.00 175.10 176.05 2wmm s LEU 685 N 0.50 4.37 0.36 3.92 1.43 -1.26 -0.38 118.68 127.63 2wmm s LEU 685 Ca -0.08 2.85 0.07 0.00 -1.03 0.00 0.00 54.13 55.95 2wmm s LEU 685 Cb -0.12 -3.65 0.79 0.00 0.03 0.00 0.00 46.19 43.23 2wmm s LEU 685 CO 0.01 -0.72 1.93 -0.07 0.23 0.00 0.00 176.35 177.73 2wmm h LEU 686 N 3.54 0.64 -0.84 1.79 3.38 -1.48 -0.17 115.31 122.18 2wmm h LEU 686 Ca -0.49 0.01 0.16 0.00 0.09 0.00 0.00 57.88 57.65 2wmm h LEU 686 Cb 1.23 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 2wmm h LEU 686 CO 0.67 0.39 0.39 -1.28 0.09 0.00 0.00 178.44 178.70 2wmm h SER 687 N 0.71 0.42 0.40 -0.43 0.87 -1.81 0.15 113.55 113.87 2wmm h SER 687 Ca 0.35 0.11 -0.32 0.00 -1.23 0.00 0.00 61.79 60.71 2wmm h SER 687 Cb 0.43 0.06 0.03 0.00 -0.44 0.00 0.00 62.40 62.47 2wmm h SER 687 CO -0.13 0.14 -1.40 -0.08 -0.53 0.00 0.00 176.83 174.83 2wmm h GLU 688 N 0.53 0.44 -0.60 2.24 4.81 -1.43 -3.23 114.58 117.33 2wmm h GLU 688 Ca 0.47 -0.75 -0.03 0.00 -0.13 0.00 0.00 59.36 58.93 2wmm h GLU 688 Cb 0.74 0.28 -0.03 0.00 0.63 0.00 0.00 28.75 30.37 2wmm h GLU 688 CO -0.41 1.36 0.27 0.82 -0.73 0.00 0.00 179.01 180.32 2wmm h ILE 689 N 0.12 1.21 -0.85 2.32 2.04 -0.61 -2.26 117.51 119.48 2wmm h ILE 689 Ca -0.21 -0.61 -0.55 0.00 1.00 0.00 0.00 64.86 64.49 2wmm h ILE 689 Cb 2.10 0.46 -0.25 0.00 -0.74 0.00 0.00 36.82 38.39 2wmm h ILE 689 CO 0.25 0.25 0.71 -1.22 0.00 0.00 0.00 178.15 178.13 2wmm n TYR 690 N -4.34 2.71 -0.08 1.37 0.53 0.48 -4.59 117.16 113.24 2wmm n TYR 690 Ca 0.05 -2.51 -0.08 0.00 -1.02 0.00 0.00 57.90 54.35 2wmm n TYR 690 Cb 0.15 -1.22 -0.00 0.00 -1.03 0.00 0.00 39.34 37.23 2wmm n TYR 690 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 2wmm h ASP 691 N 1.65 0.14 -0.92 7.72 3.45 -1.42 0.16 116.42 127.21 2wmm h ASP 691 Ca 0.52 0.03 -0.46 0.00 0.43 0.00 0.00 57.03 57.54 2wmm h ASP 691 Cb 1.19 0.01 -0.28 0.00 -0.56 0.00 0.00 39.33 39.69 2wmm h ASP 691 CO 1.27 0.12 0.59 0.47 -1.57 0.00 0.00 179.24 180.12 2wmm n ASP 692 N -5.01 3.78 -4.73 6.45 8.00 -1.26 -1.84 116.55 121.95 2wmm n ASP 692 Ca -0.00 -3.47 -0.42 0.00 0.71 0.00 0.00 54.79 51.61 2wmm n ASP 692 Cb 0.10 -0.81 -0.03 0.00 -0.02 0.00 0.00 41.12 40.36 2wmm n ASP 692 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wmm s VAL 693 N -3.06 3.16 0.81 2.53 1.01 -1.21 -4.86 120.40 118.80 2wmm s VAL 693 Ca 0.53 0.89 -0.15 0.00 0.00 0.00 0.00 61.98 63.26 2wmm s VAL 693 Cb 0.45 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2wmm s VAL 693 CO 0.10 0.10 0.55 -1.54 0.00 0.00 0.00 175.10 174.32 2wmm n SER 694 N 3.30 -1.28 0.26 3.32 3.41 -1.26 -4.19 113.62 117.18 2wmm n SER 694 Ca 0.09 0.50 0.11 0.00 -0.26 0.00 0.00 58.87 59.31 2wmm n SER 694 Cb 0.42 -1.24 0.69 0.00 -0.26 0.00 0.00 64.21 63.82 2wmm n SER 694 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2wmm h LEU 695 N -0.84 0.00 -0.21 1.04 4.07 -1.91 0.01 115.31 117.46 2wmm h LEU 695 Ca -0.45 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 57.31 2wmm h LEU 695 Cb 1.32 0.00 0.01 0.00 1.08 0.00 0.00 40.66 43.06 2wmm h LEU 695 CO 0.40 0.12 -0.64 -0.08 -1.08 0.00 0.00 178.44 177.16 2wmm h GLU 696 N 0.00 0.80 0.00 1.13 4.81 -2.02 -3.35 114.58 115.95 2wmm h GLU 696 Ca -0.00 -0.58 -0.09 0.00 -0.13 0.00 0.00 59.36 58.56 2wmm h GLU 696 Cb 0.27 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2wmm h GLU 696 CO 0.02 1.20 -1.45 -0.25 -0.73 0.00 0.00 179.01 177.80 2wmm n ASP 697 N -4.01 0.62 -0.18 1.04 8.00 -0.86 -4.57 116.55 116.59 2wmm n ASP 697 Ca -0.06 0.26 -0.01 0.00 0.71 0.00 0.00 54.79 55.69 2wmm n ASP 697 Cb 0.67 0.69 0.07 0.00 -0.02 0.00 0.00 41.12 42.54 2wmm n ASP 697 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wmm h ALA 698 N 1.72 0.51 0.37 2.24 0.00 -1.15 0.11 119.26 123.06 2wmm h ALA 698 Ca -0.10 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wmm h ALA 698 Cb 1.30 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 2wmm h ALA 698 CO 0.02 -0.39 -0.23 -1.35 0.00 0.00 0.00 179.25 177.30 2wmm h PRO 699 N 0.10 -0.55 -0.21 0.00 0.11 -1.80 0.58 132.00 130.23 2wmm h PRO 699 Ca 0.28 0.04 0.01 0.00 0.11 0.00 0.00 66.00 66.44 2wmm h PRO 699 Cb 0.44 0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.66 2wmm h PRO 699 CO -0.48 -0.37 0.10 -0.92 -0.21 0.00 0.00 178.00 176.12 2wmm h TYR 700 N -0.57 0.19 -0.69 0.65 3.20 -1.80 -2.18 116.97 115.77 2wmm h TYR 700 Ca -0.04 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.77 2wmm h TYR 700 Cb 0.47 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 38.66 2wmm h TYR 700 CO -0.09 0.11 0.15 0.35 -1.64 0.00 0.00 178.16 177.03 2wmm h PHE 701 N 0.22 1.18 -0.46 -3.82 3.57 -0.69 -1.37 116.94 115.57 2wmm h PHE 701 Ca 0.08 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 2wmm h PHE 701 Cb 0.02 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.41 2wmm h PHE 701 CO -0.09 0.97 0.14 0.77 -2.23 0.00 0.00 178.31 177.87 2wmm h SER 702 N 1.04 0.66 -0.34 0.41 0.02 -0.77 -3.00 113.55 111.58 2wmm h SER 702 Ca 0.21 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 2wmm h SER 702 Cb 0.40 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2wmm h SER 702 CO 0.01 0.69 0.01 0.00 -1.14 0.00 0.00 176.83 176.40 2wmm h ALA 703 N 1.00 0.46 -0.57 3.77 0.00 -1.28 -3.22 119.26 119.41 2wmm h ALA 703 Ca 0.15 -0.23 0.11 0.00 0.00 0.00 0.00 54.91 54.93 2wmm h ALA 703 Cb 0.26 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.81 2wmm h ALA 703 CO -0.00 0.21 -0.25 1.25 0.00 0.00 0.00 179.25 180.45 2wmm h LEU 704 N 0.41 -0.87 -2.17 0.00 5.85 -1.16 -0.57 115.31 116.79 2wmm h LEU 704 Ca 0.10 0.20 0.00 0.00 0.84 0.00 0.00 57.88 59.02 2wmm h LEU 704 Cb 0.43 0.47 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2wmm h LEU 704 CO 0.01 -0.26 0.00 1.88 -0.34 0.00 0.00 178.44 179.73 2wmm h TYR 705 N -0.10 0.00 -0.71 1.25 0.05 -1.53 -3.48 116.97 112.44 2wmm h TYR 705 Ca 0.26 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.04 2wmm h TYR 705 Cb 0.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 2wmm h TYR 705 CO -0.56 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 176.96 2wmm n GLY 706 N -1.02 0.97 0.38 3.88 0.00 -0.23 -2.58 105.19 106.59 2wmm n GLY 706 Ca -0.02 -0.77 0.19 0.00 0.00 0.00 0.00 46.02 45.43 2wmm n GLY 706 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wmm h PRO 707 N 0.00 0.00 0.00 1.61 0.11 -1.92 -0.80 132.00 131.00 2wmm h PRO 707 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2wmm h PRO 707 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2wmm h PRO 707 CO 0.00 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.66 2wmm n SER 708 N -3.53 0.00 0.29 -2.05 3.41 -1.06 -2.47 113.62 108.20 2wmm n SER 708 Ca 0.05 0.26 0.14 0.00 -0.26 0.00 0.00 58.87 59.06 2wmm n SER 708 Cb 0.57 -0.35 0.85 0.00 -0.26 0.00 0.00 64.21 65.02 2wmm n SER 708 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2wmm h ARG 709 N 0.00 0.00 -0.62 4.33 0.11 -1.25 -0.45 114.38 116.49 2wmm h ARG 709 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wmm h ARG 709 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 2wmm h ARG 709 CO 0.00 0.02 0.00 0.72 0.10 0.00 0.00 179.97 180.81 2wmm n HIS 710 N -3.94 1.04 -2.13 4.08 8.25 -1.03 -4.12 115.22 117.37 2wmm n HIS 710 Ca -0.03 -0.40 -0.38 0.00 -0.26 0.00 0.00 57.72 56.65 2wmm n HIS 710 Cb 0.10 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.00 2wmm n HIS 710 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2wmm s ALA 711 N -1.80 3.01 -0.26 -1.41 0.00 -0.18 -4.68 121.76 116.43 2wmm s ALA 711 Ca 0.34 1.06 -0.10 0.00 0.00 0.00 0.00 51.96 53.26 2wmm s ALA 711 Cb 0.22 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2wmm s ALA 711 CO 0.15 -0.81 0.16 0.42 0.00 0.00 0.00 175.76 175.68 2wmm s ILE 712 N -1.44 5.13 -0.11 0.00 1.01 -0.26 -1.40 121.20 124.13 2wmm s ILE 712 Ca 0.63 0.11 -0.20 0.00 0.00 0.00 0.00 60.65 61.19 2wmm s ILE 712 Cb -0.33 -3.43 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 2wmm s ILE 712 CO 0.40 0.29 0.55 -0.69 0.00 0.00 0.00 174.94 175.49 2wmm s VAL 713 N 1.56 5.14 0.20 2.92 1.01 0.49 -1.59 120.40 130.13 2wmm s VAL 713 Ca 0.07 1.10 0.03 0.00 0.00 0.00 0.00 61.98 63.18 2wmm s VAL 713 Cb -0.15 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2wmm s VAL 713 CO 0.08 0.30 -0.02 0.68 0.00 0.00 0.00 175.10 176.14 2wmm s VAL 714 N 0.73 0.96 0.06 2.92 -7.23 0.36 0.08 120.40 118.27 2wmm s VAL 714 Ca 0.29 -2.02 -0.32 0.00 -1.81 0.00 0.00 61.98 58.12 2wmm s VAL 714 Cb -0.16 -2.17 -0.19 0.00 0.56 0.00 0.00 36.38 34.43 2wmm s VAL 714 CO 0.13 -0.46 1.53 -0.65 -0.31 0.00 0.00 175.10 175.34 2wmm h PRO 715 N 2.60 -0.88 -3.52 4.82 0.11 -1.83 0.11 132.00 133.41 2wmm h PRO 715 Ca -0.37 0.06 -0.44 0.00 0.11 0.00 0.00 66.00 65.35 2wmm h PRO 715 Cb 1.21 0.20 -0.39 0.00 0.11 0.00 0.00 31.00 32.13 2wmm h PRO 715 CO 0.64 -0.57 -0.76 0.34 -0.21 0.00 0.00 178.00 177.44 2wmm s ASP 716 N -4.42 1.83 0.13 -2.05 2.15 -1.26 -4.15 116.67 108.90 2wmm s ASP 716 Ca -0.17 -0.25 -0.28 0.00 0.43 0.00 0.00 52.55 52.28 2wmm s ASP 716 Cb 0.03 -0.39 -0.05 0.00 -0.30 0.00 0.00 42.92 42.21 2wmm s ASP 716 CO 0.59 -0.24 1.59 -0.07 -0.17 0.00 0.00 175.17 176.87 2wmm h LEU 717 N 8.34 -1.25 -1.65 -1.34 3.38 -1.93 -1.19 115.31 119.68 2wmm h LEU 717 Ca -0.17 0.17 0.13 0.00 0.09 0.00 0.00 57.88 58.09 2wmm h LEU 717 Cb 1.13 0.51 -0.02 0.00 0.09 0.00 0.00 40.66 42.37 2wmm h LEU 717 CO 0.26 -0.42 0.63 0.77 0.09 0.00 0.00 178.44 179.77 2wmm h SER 718 N -0.48 0.00 0.08 -0.43 4.64 -2.01 0.62 113.55 115.97 2wmm h SER 718 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2wmm h SER 718 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2wmm h SER 718 CO -0.39 0.00 -0.08 0.00 -0.87 0.00 0.00 176.83 175.49 2wmm n GLN 719 N -3.36 1.34 -0.07 4.77 6.02 -0.45 -3.67 117.38 121.96 2wmm n GLN 719 Ca 0.08 -0.75 -0.10 0.00 -0.01 0.00 0.00 57.00 56.22 2wmm n GLN 719 Cb 0.80 -1.48 -0.15 0.00 1.02 0.00 0.00 30.24 30.42 2wmm n GLN 719 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2wmm n VAL 720 N -0.17 1.50 -0.24 5.09 0.31 0.22 -4.44 118.33 120.59 2wmm n VAL 720 Ca 0.17 -0.81 0.04 0.00 -0.01 0.00 0.00 64.34 63.73 2wmm n VAL 720 Cb 0.34 -0.79 0.09 0.00 -0.91 0.00 0.00 33.84 32.56 2wmm n VAL 720 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 2wmm n THR 721 N -2.92 -0.28 -0.13 2.52 -1.04 -1.12 0.27 114.28 111.58 2wmm n THR 721 Ca -0.28 1.50 0.18 0.00 -2.04 0.00 0.00 64.05 63.41 2wmm n THR 721 Cb 1.10 -2.07 0.57 0.00 -1.82 0.00 0.00 70.33 68.12 2wmm n THR 721 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2wmm h GLU 722 N 0.00 0.27 0.00 -2.82 4.11 -1.81 0.37 114.58 114.70 2wmm h GLU 722 Ca 0.31 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.72 2wmm h GLU 722 Cb 0.47 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2wmm h GLU 722 CO -0.67 0.18 -0.03 0.45 0.07 0.00 0.00 179.01 179.01 2wmm h HIS 723 N 0.28 0.00 0.13 2.06 3.86 0.35 -3.30 115.15 118.53 2wmm h HIS 723 Ca 0.35 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.24 2wmm h HIS 723 Cb 0.96 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.42 2wmm h HIS 723 CO -0.00 0.00 -1.60 -0.07 0.86 0.00 0.00 177.93 177.12 2wmm h LEU 724 N 0.00 0.44 -8.50 2.43 3.38 -0.64 -3.42 115.31 109.00 2wmm h LEU 724 Ca 0.00 -0.63 -0.70 0.00 0.09 0.00 0.00 57.88 56.64 2wmm h LEU 724 Cb 0.99 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2wmm h LEU 724 CO 0.00 1.53 1.33 -0.62 0.09 0.00 0.00 178.44 180.77 2wmm n GLU 725 N -3.48 0.86 -0.94 1.13 1.02 -0.83 0.51 120.64 118.91 2wmm n GLU 725 Ca -0.19 0.25 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2wmm n GLU 725 Cb 1.05 -2.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.26 2wmm n GLU 725 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wmm n GLY 726 N 6.46 0.51 3.64 0.62 0.00 -1.26 -5.01 105.19 110.15 2wmm n GLY 726 Ca 0.42 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2wmm n GLY 726 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wmm s LEU 727 N 0.00 4.01 0.00 0.99 0.20 0.18 -4.85 118.68 119.21 2wmm s LEU 727 Ca 0.00 1.47 0.00 0.00 0.69 0.00 0.00 54.13 56.29 2wmm s LEU 727 Cb 0.00 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.22 2wmm s LEU 727 CO 0.00 -0.97 0.00 0.35 -0.29 0.00 0.00 176.35 175.44 2wmm n THR 728 N 5.88 0.00 -2.30 3.68 -2.24 -1.26 -4.88 114.28 113.17 2wmm n THR 728 Ca 0.15 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.50 2wmm n THR 728 Cb 0.46 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 2wmm n THR 728 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2wmm n ASP 729 N -1.73 4.64 -3.62 3.42 2.03 -1.26 -4.84 116.55 115.20 2wmm n ASP 729 Ca 0.00 -2.94 -0.06 0.00 0.52 0.00 0.00 54.79 52.31 2wmm n ASP 729 Cb 0.41 -1.64 -0.01 0.00 -0.72 0.00 0.00 41.12 39.16 2wmm n ASP 729 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wmm s PRO 731 N -3.27 1.82 0.64 0.00 0.04 -1.26 -4.85 135.00 128.11 2wmm s PRO 731 Ca 0.13 1.61 0.43 0.00 0.04 0.00 0.00 61.00 63.21 2wmm s PRO 731 Cb -0.04 -1.81 2.33 0.00 0.04 0.00 0.00 34.50 35.01 2wmm s PRO 731 CO 0.06 -2.05 2.31 1.05 0.04 0.00 0.00 177.00 178.41 2wmm h GLU 732 N -0.89 0.00 -3.68 4.56 4.11 -2.01 -3.35 114.58 113.32 2wmm h GLU 732 Ca -0.46 0.00 -0.50 0.00 0.07 0.00 0.00 59.36 58.47 2wmm h GLU 732 Cb 1.28 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 30.14 2wmm h GLU 732 CO 0.47 0.00 -0.77 -0.51 0.07 0.00 0.00 179.01 178.28 2wmm s ASP 733 N -5.04 2.55 -0.17 3.06 1.01 -1.26 -5.12 116.67 111.70 2wmm s ASP 733 Ca -0.05 -0.61 -0.00 0.00 0.71 0.00 0.00 52.55 52.60 2wmm s ASP 733 Cb 0.12 -0.60 0.00 0.00 1.01 0.00 0.00 42.92 43.46 2wmm s ASP 733 CO 0.39 -0.26 -0.15 -0.22 0.21 0.00 0.00 175.17 175.14 2wmm s LEU 734 N 1.85 2.44 -0.12 1.23 2.96 -1.26 -5.10 118.68 120.69 2wmm s LEU 734 Ca 0.01 -0.51 -0.10 0.00 -0.22 0.00 0.00 54.13 53.31 2wmm s LEU 734 Cb -0.16 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 2wmm s LEU 734 CO -0.07 0.04 0.21 -0.31 -1.32 0.00 0.00 176.35 174.90 2wmm s TYR 735 N 1.06 3.57 -0.08 5.38 2.02 -1.26 -5.06 117.35 122.98 2wmm s TYR 735 Ca -0.01 0.58 0.00 0.00 -0.37 0.00 0.00 57.07 57.28 2wmm s TYR 735 Cb -0.14 -2.10 0.02 0.00 -0.40 0.00 0.00 41.96 39.34 2wmm s TYR 735 CO -0.04 0.57 -0.06 -0.51 -1.57 0.00 0.00 175.55 173.94 2wmm s LEU 736 N -0.57 1.19 -0.07 -1.29 1.02 -1.26 -1.11 118.68 116.60 2wmm s LEU 736 Ca 0.15 -0.21 0.05 0.00 0.02 0.00 0.00 54.13 54.15 2wmm s LEU 736 Cb -0.13 -0.65 -0.01 0.00 0.02 0.00 0.00 46.19 45.42 2wmm s LEU 736 CO 0.05 -0.09 -0.22 -0.63 0.02 0.00 0.00 176.35 175.48 2wmm s ILE 737 N 1.33 2.28 -0.10 -0.59 1.01 -0.62 -4.95 121.20 119.57 2wmm s ILE 737 Ca -0.03 -0.98 -0.21 0.00 0.00 0.00 0.00 60.65 59.42 2wmm s ILE 737 Cb -0.14 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2wmm s ILE 737 CO -0.03 0.57 0.62 -0.70 0.00 0.00 0.00 174.94 175.40 2wmm s GLU 738 N -0.15 4.37 0.00 2.79 2.12 -1.26 -0.49 118.70 126.09 2wmm s GLU 738 Ca -0.03 0.71 0.00 0.00 0.36 0.00 0.00 54.97 56.00 2wmm s GLU 738 Cb -0.14 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.79 2wmm s GLU 738 CO 0.04 0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.22 2wmm n GLY 739 N 3.25 -1.42 3.29 -1.50 0.00 0.38 -4.90 105.19 104.28 2wmm n GLY 739 Ca -0.03 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 2wmm n GLY 739 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wmm s ASP 740 N -1.28 5.31 0.38 1.61 2.15 -1.26 -3.92 116.67 119.66 2wmm s ASP 740 Ca 0.00 -1.07 0.17 0.00 0.43 0.00 0.00 52.55 52.07 2wmm s ASP 740 Cb 0.00 -1.88 1.06 0.00 -0.30 0.00 0.00 42.92 41.81 2wmm s ASP 740 CO 0.00 -0.31 1.74 -0.65 -0.17 0.00 0.00 175.17 175.78 2wmm h PRO 741 N 8.23 0.41 0.00 4.34 0.11 -1.93 0.47 132.00 143.63 2wmm h PRO 741 Ca -0.24 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.75 2wmm h PRO 741 Cb 1.09 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 2wmm h PRO 741 CO 0.61 0.27 -0.44 1.96 -0.21 0.00 0.00 178.00 180.19 2wmm h GLN 742 N 0.42 0.00 -1.57 1.05 4.20 -2.00 -3.36 115.11 113.84 2wmm h GLN 742 Ca 0.63 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 58.89 2wmm h GLN 742 Cb 1.51 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 28.95 2wmm h GLN 742 CO -0.37 0.44 -1.01 0.45 -0.67 0.00 0.00 178.83 177.66 2wmm n SER 743 N -3.24 -0.11 -4.75 1.46 2.88 -0.29 -5.12 113.62 104.45 2wmm n SER 743 Ca 0.02 -3.02 -0.40 0.00 -1.33 0.00 0.00 58.87 54.13 2wmm n SER 743 Cb 0.69 -0.09 -0.05 0.00 -0.75 0.00 0.00 64.21 64.00 2wmm n SER 743 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wmm s PHE 744 N -1.42 3.84 -0.17 0.66 2.19 0.15 -4.41 117.98 118.82 2wmm s PHE 744 Ca 0.35 1.66 -0.09 0.00 0.33 0.00 0.00 56.93 59.19 2wmm s PHE 744 Cb 0.28 -2.88 -0.05 0.00 -1.31 0.00 0.00 43.02 39.06 2wmm s PHE 744 CO -0.10 0.36 0.13 -0.51 1.83 0.00 0.00 175.22 176.93 2wmm s ASP 745 N -0.54 6.27 0.81 6.13 1.11 -1.26 -5.02 116.67 124.17 2wmm s ASP 745 Ca 0.40 0.31 -0.13 0.00 0.18 0.00 0.00 52.55 53.31 2wmm s ASP 745 Cb -0.23 -2.08 0.07 0.00 1.07 0.00 0.00 42.92 41.75 2wmm s ASP 745 CO 0.27 0.26 1.11 0.47 1.18 0.00 0.00 175.17 178.46 2wmm n ASP 746 N 2.99 0.69 -4.83 0.27 8.00 -1.26 -5.00 116.55 117.42 2wmm n ASP 746 Ca -0.17 0.57 -0.33 0.00 0.71 0.00 0.00 54.79 55.57 2wmm n ASP 746 Cb 0.53 -1.47 -0.05 0.00 -0.02 0.00 0.00 41.12 40.11 2wmm n ASP 746 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2wmm s SER 747 N -2.08 6.67 -0.21 -2.24 0.01 -1.26 -5.03 113.70 109.56 2wmm s SER 747 Ca 0.72 1.67 -0.08 0.00 1.31 0.00 0.00 55.95 59.56 2wmm s SER 747 Cb -0.29 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.37 2wmm s SER 747 CO 0.52 -0.55 0.10 0.54 0.41 0.00 0.00 173.24 174.26 2wmm s VAL 748 N -2.38 4.95 0.20 3.43 0.11 -1.26 -5.08 120.40 120.37 2wmm s VAL 748 Ca 0.61 0.03 0.11 0.00 -2.93 0.00 0.00 61.98 59.81 2wmm s VAL 748 Cb -0.11 -3.27 -0.04 0.00 -1.53 0.00 0.00 36.38 31.43 2wmm s VAL 748 CO 0.23 0.41 -0.24 -0.36 -3.33 0.00 0.00 175.10 171.82 2wmm s PHE 749 N 0.69 2.30 -0.52 1.54 0.08 -1.26 -5.08 117.98 115.73 2wmm s PHE 749 Ca 0.05 -0.36 -0.16 0.00 0.12 0.00 0.00 56.93 56.59 2wmm s PHE 749 Cb -0.13 -1.13 0.11 0.00 -0.57 0.00 0.00 43.02 41.30 2wmm s PHE 749 CO 0.02 0.51 0.47 0.45 -0.10 0.00 0.00 175.22 176.56 2wmm s SER 750 N -2.71 6.16 0.11 1.36 0.15 -1.26 -5.04 113.70 112.47 2wmm s SER 750 Ca 0.21 -1.68 0.06 0.00 0.70 0.00 0.00 55.95 55.24 2wmm s SER 750 Cb -0.08 -2.20 -0.04 0.00 -1.71 0.00 0.00 66.02 62.00 2wmm s SER 750 CO 0.10 -0.80 -0.14 -0.69 1.20 0.00 0.00 173.24 172.91 2wmm s VAL 751 N 1.60 1.28 0.01 4.45 1.01 -1.26 -1.69 120.40 125.79 2wmm s VAL 751 Ca 0.03 -1.62 0.03 0.00 0.00 0.00 0.00 61.98 60.42 2wmm s VAL 751 Cb -0.28 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 2wmm s VAL 751 CO 0.04 -0.37 -0.10 -1.81 0.00 0.00 0.00 175.10 172.85 2wmm s ASP 752 N -2.29 1.20 0.22 3.32 1.11 -0.96 -4.99 116.67 114.29 2wmm s ASP 752 Ca 0.06 -0.26 0.00 0.00 0.18 0.00 0.00 52.55 52.53 2wmm s ASP 752 Cb -0.06 -0.11 -0.04 0.00 1.07 0.00 0.00 42.92 43.78 2wmm s ASP 752 CO 0.03 0.07 0.40 -1.61 1.18 0.00 0.00 175.17 175.24 2wmm s GLU 753 N -0.53 3.50 0.00 8.23 2.02 -1.26 -1.35 118.70 129.31 2wmm s GLU 753 Ca 0.02 -0.41 0.00 0.00 0.02 0.00 0.00 54.97 54.60 2wmm s GLU 753 Cb -0.05 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.35 2wmm s GLU 753 CO 0.00 0.38 0.00 1.28 0.02 0.00 0.00 175.26 176.94 2wmm n LEU 754 N -0.89 0.00 -4.57 1.80 4.77 -0.80 -4.95 117.00 112.36 2wmm n LEU 754 Ca -0.05 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.76 2wmm n LEU 754 Cb 0.54 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.56 2wmm n LEU 754 CO 0.48 0.00 1.22 -0.70 -1.33 0.00 0.00 177.39 177.06 2wmm s GLU 755 N -1.55 1.71 -1.12 3.23 -6.30 -1.26 -3.32 118.70 110.09 2wmm s GLU 755 Ca 0.00 0.03 -0.19 0.00 -2.50 0.00 0.00 54.97 52.31 2wmm s GLU 755 Cb 0.00 -4.91 -0.01 0.00 0.00 0.00 0.00 34.13 29.21 2wmm s GLU 755 CO 0.00 -4.50 0.80 1.63 0.02 0.00 0.00 175.26 173.21 2wmm n LYS 756 N 8.64 -1.28 -3.66 4.30 5.02 -1.26 -4.92 118.16 125.00 2wmm n LYS 756 Ca 0.44 0.51 -0.04 0.00 -2.02 0.00 0.00 58.31 57.20 2wmm n LYS 756 Cb 0.45 -4.23 -0.01 0.00 -0.02 0.00 0.00 35.03 31.21 2wmm n LYS 756 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wmm s ALA 757 N -3.44 -1.83 0.14 7.82 0.00 -1.21 -1.84 121.76 121.40 2wmm s ALA 757 Ca 0.46 0.53 0.05 0.00 0.00 0.00 0.00 51.96 53.01 2wmm s ALA 757 Cb -0.16 0.49 -0.04 0.00 0.00 0.00 0.00 23.12 23.41 2wmm s ALA 757 CO 0.85 -0.94 -0.12 0.08 0.00 0.00 0.00 175.76 175.64 2wmm s VAL 758 N -3.02 1.27 -0.26 0.00 1.01 0.20 -1.91 120.40 117.68 2wmm s VAL 758 Ca 0.11 -1.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.11 2wmm s VAL 758 Cb -0.00 -1.74 0.09 0.00 0.00 0.00 0.00 36.38 34.73 2wmm s VAL 758 CO -0.02 -0.62 0.10 -0.69 0.00 0.00 0.00 175.10 173.87 2wmm s VAL 759 N -2.86 0.34 -0.14 2.92 1.01 -0.46 -1.27 120.40 119.95 2wmm s VAL 759 Ca 0.14 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.18 2wmm s VAL 759 Cb -0.01 -1.16 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 2wmm s VAL 759 CO 0.02 -0.56 0.19 -0.69 0.00 0.00 0.00 175.10 174.07 2wmm s VAL 760 N 1.91 5.39 -0.46 2.92 1.01 -0.20 -2.25 120.40 128.72 2wmm s VAL 760 Ca 0.06 0.33 -0.24 0.00 0.00 0.00 0.00 61.98 62.14 2wmm s VAL 760 Cb -0.17 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.75 2wmm s VAL 760 CO -0.24 0.52 0.84 -0.75 0.00 0.00 0.00 175.10 175.47 2wmm s LYS 761 N -0.37 3.44 0.07 2.72 2.20 -0.68 -0.50 119.74 126.61 2wmm s LYS 761 Ca 0.14 -0.04 -0.13 0.00 -0.36 0.00 0.00 55.97 55.57 2wmm s LYS 761 Cb -0.12 -3.95 -0.25 0.00 -1.51 0.00 0.00 37.83 32.00 2wmm s LYS 761 CO 0.03 -1.19 1.16 0.82 -0.36 0.00 0.00 175.35 175.82 2wmm h ILE 762 N 6.02 1.29 -2.74 5.43 1.08 -1.21 -3.42 117.51 123.96 2wmm h ILE 762 Ca -0.25 -2.35 0.09 0.00 -0.39 0.00 0.00 64.86 61.96 2wmm h ILE 762 Cb 1.08 2.51 -0.01 0.00 -3.07 0.00 0.00 36.82 37.33 2wmm h ILE 762 CO 0.99 0.72 0.47 0.00 -0.69 0.00 0.00 178.15 179.65 2wmm s ALA 763 N -3.18 -1.24 0.15 1.87 0.00 -1.20 -5.03 121.76 113.13 2wmm s ALA 763 Ca -0.09 -0.55 -0.31 0.00 0.00 0.00 0.00 51.96 51.00 2wmm s ALA 763 Cb 0.06 0.73 -0.11 0.00 0.00 0.00 0.00 23.12 23.81 2wmm s ALA 763 CO 0.92 -1.03 1.81 -0.51 0.00 0.00 0.00 175.76 176.95 2wmm s ASP 764 N -3.31 6.40 -1.45 0.00 1.01 -1.26 -1.30 116.67 116.76 2wmm s ASP 764 Ca 0.20 2.81 -0.03 0.00 0.71 0.00 0.00 52.55 56.24 2wmm s ASP 764 Cb -0.04 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.32 2wmm s ASP 764 CO 0.08 -1.00 0.37 0.54 0.21 0.00 0.00 175.17 175.37 2wmm n ARG 765 N 5.19 -3.43 -3.64 8.23 3.00 -1.26 -5.00 116.66 119.75 2wmm n ARG 765 Ca 0.17 0.84 -0.27 0.00 -0.01 0.00 0.00 57.85 58.58 2wmm n ARG 765 Cb 0.37 -5.45 -0.17 0.00 0.00 0.00 0.00 32.46 27.22 2wmm n ARG 765 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2wmm s GLN 766 N -5.36 0.28 0.07 5.56 -1.52 -0.42 -5.10 119.66 113.17 2wmm s GLN 766 Ca 0.18 -0.27 0.07 0.00 -1.95 0.00 0.00 55.36 53.39 2wmm s GLN 766 Cb -0.08 -1.84 -0.04 0.00 -0.22 0.00 0.00 33.01 30.83 2wmm s GLN 766 CO 0.23 -0.72 -0.15 -1.58 -0.25 0.00 0.00 175.29 172.82 2wmm s TRP 767 N 2.03 2.63 -0.19 0.91 0.51 -1.26 -0.63 118.94 122.95 2wmm s TRP 767 Ca 0.02 -0.21 0.01 0.00 -2.12 0.00 0.00 56.10 53.81 2wmm s TRP 767 Cb -0.16 -1.45 0.03 0.00 -0.81 0.00 0.00 33.47 31.08 2wmm s TRP 767 CO -0.13 0.34 -0.18 0.50 -0.51 0.00 0.00 176.95 176.98 2wmm s ARG 768 N -1.77 2.76 -0.34 4.98 3.52 0.34 -4.90 118.95 123.54 2wmm s ARG 768 Ca 0.17 -0.87 -0.13 0.00 -0.13 0.00 0.00 55.73 54.77 2wmm s ARG 768 Cb -0.11 -2.55 -0.02 0.00 -1.56 0.00 0.00 34.95 30.71 2wmm s ARG 768 CO 0.09 -0.27 0.24 -0.47 -0.81 0.00 0.00 175.30 174.07 2wmm s TYR 769 N 1.29 3.23 -0.30 5.12 5.04 -1.26 -1.03 117.35 129.44 2wmm s TYR 769 Ca 0.03 -0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.49 2wmm s TYR 769 Cb -0.14 -2.47 0.09 0.00 0.35 0.00 0.00 41.96 39.78 2wmm s TYR 769 CO -0.11 -0.35 0.02 -1.12 -1.34 0.00 0.00 175.55 172.65 2wmm s SER 770 N 1.72 4.32 0.69 4.32 0.01 -0.40 -4.97 113.70 119.41 2wmm s SER 770 Ca 0.06 -1.71 -0.13 0.00 1.31 0.00 0.00 55.95 55.48 2wmm s SER 770 Cb -0.17 -1.32 0.02 0.00 0.21 0.00 0.00 66.02 64.75 2wmm s SER 770 CO 0.11 -0.33 1.09 0.00 0.41 0.00 0.00 173.24 174.52 2wmm s ARG 771 N 1.22 2.68 0.18 12.44 1.70 -1.26 -0.63 118.95 135.27 2wmm s ARG 771 Ca 0.04 1.26 -0.30 0.00 -0.47 0.00 0.00 55.73 56.26 2wmm s ARG 771 Cb -0.19 -1.94 -0.08 0.00 -0.57 0.00 0.00 34.95 32.17 2wmm s ARG 771 CO -0.11 -1.33 1.31 -0.06 -1.08 0.00 0.00 175.30 174.03 2wmm s PHE 772 N -2.60 3.27 0.36 5.89 2.99 -0.76 -4.74 117.98 122.39 2wmm s PHE 772 Ca 0.64 1.19 -0.25 0.00 0.00 0.00 0.00 56.93 58.51 2wmm s PHE 772 Cb -0.18 -3.60 -0.10 0.00 0.00 0.00 0.00 43.02 39.14 2wmm s PHE 772 CO 0.47 -1.90 0.98 -1.25 -0.00 0.00 0.00 175.22 173.52 2wmm s PRO 773 N 0.13 4.41 0.27 0.24 0.04 -1.26 -4.93 135.00 133.89 2wmm s PRO 773 Ca 0.58 1.36 -0.03 0.00 0.04 0.00 0.00 61.00 62.95 2wmm s PRO 773 Cb -0.36 -2.64 0.34 0.00 0.04 0.00 0.00 34.50 31.88 2wmm s PRO 773 CO 0.36 0.11 1.84 0.93 0.04 0.00 0.00 177.00 180.29 2wmm h GLU 774 N 2.80 0.98 -3.05 4.56 5.08 -1.98 -3.32 114.58 119.64 2wmm h GLU 774 Ca -0.48 -0.16 -0.62 0.00 -1.00 0.00 0.00 59.36 57.10 2wmm h GLU 774 Cb 1.20 -0.17 -0.41 0.00 0.50 0.00 0.00 28.75 29.87 2wmm h GLU 774 CO 0.64 0.80 -0.68 0.08 -1.00 0.00 0.00 179.01 178.85 2wmm s VAL 775 N -5.44 2.13 0.70 3.13 1.01 -1.26 -5.01 120.40 115.66 2wmm s VAL 775 Ca -0.11 -3.39 -0.16 0.00 0.00 0.00 0.00 61.98 58.31 2wmm s VAL 775 Cb 0.16 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 2wmm s VAL 775 CO 0.81 -0.95 0.94 -0.81 0.00 0.00 0.00 175.10 175.09 2wmm n PRO 776 N 2.78 0.56 0.04 2.72 -0.04 -1.25 -2.41 135.00 137.40 2wmm n PRO 776 Ca 0.14 0.24 -0.13 0.00 -0.04 0.00 0.00 63.50 63.72 2wmm n PRO 776 Cb 0.36 -2.19 -0.02 0.00 -0.04 0.00 0.00 33.50 31.61 2wmm n PRO 776 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2wmm h LEU 777 N -0.14 0.61-10.44 1.53 6.46 -1.86 -3.42 115.31 108.05 2wmm h LEU 777 Ca -0.47 -0.43 -0.48 0.00 -0.12 0.00 0.00 57.88 56.38 2wmm h LEU 777 Cb 1.34 -0.18 0.06 0.00 -0.73 0.00 0.00 40.66 41.15 2wmm h LEU 777 CO 0.47 1.19 0.22 -0.36 -0.62 0.00 0.00 178.44 179.34 2wmm s PHE 778 N -3.55 3.26 -0.45 1.25 2.99 -1.26 -4.25 117.98 115.97 2wmm s PHE 778 Ca -0.07 0.71 0.00 0.00 0.00 0.00 0.00 56.93 57.57 2wmm s PHE 778 Cb 0.09 -2.80 0.00 0.00 0.00 0.00 0.00 43.02 40.31 2wmm s PHE 778 CO 0.86 -0.89 0.00 0.41 -0.00 0.00 0.00 175.22 175.60 2wmm n GLY 779 N -2.66 0.66 0.19 4.36 0.00 0.57 -4.85 105.19 103.46 2wmm n GLY 779 Ca 0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.74 2wmm n GLY 779 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2wmm h ARG 780 N 0.30 0.22 -0.29 1.61 2.43 -1.70 0.80 114.38 117.74 2wmm h ARG 780 Ca -0.09 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2wmm h ARG 780 Cb 0.50 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 2wmm h ARG 780 CO 0.13 0.14 0.18 0.00 -1.51 0.00 0.00 179.97 178.91 2wmm h ALA 781 N 1.38 0.36 -0.22 2.80 0.00 -1.70 0.48 119.26 122.37 2wmm h ALA 781 Ca 0.24 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 2wmm h ALA 781 Cb 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2wmm h ALA 781 CO -0.32 -0.18 -0.15 0.00 0.00 0.00 0.00 179.25 178.60 2wmm h ALA 782 N 1.11 1.35 -0.33 0.00 0.00 -1.26 -1.70 119.26 118.44 2wmm h ALA 782 Ca 0.11 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2wmm h ALA 782 Cb -0.03 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2wmm h ALA 782 CO -0.03 0.44 -0.48 -0.09 0.00 0.00 0.00 179.25 179.08 2wmm h ARG 783 N 0.33 0.90 -0.58 0.00 2.43 -0.32 -1.93 114.38 115.21 2wmm h ARG 783 Ca 0.06 -0.53 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 2wmm h ARG 783 Cb 0.46 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 2wmm h ARG 783 CO 0.03 1.17 0.26 0.93 -1.51 0.00 0.00 179.97 180.85 2wmm h GLU 784 N 0.71 0.85 -0.51 0.20 5.08 -0.56 -1.39 114.58 118.96 2wmm h GLU 784 Ca 0.03 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 2wmm h GLU 784 Cb 1.09 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 2wmm h GLU 784 CO 0.11 0.71 -0.11 0.77 -1.00 0.00 0.00 179.01 179.50 2wmm h SER 785 N 0.79 0.94 -0.34 1.42 0.02 -1.25 -2.26 113.55 112.88 2wmm h SER 785 Ca 0.20 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 2wmm h SER 785 Cb 0.16 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2wmm h SER 785 CO -0.02 1.06 0.19 -0.09 -1.14 0.00 0.00 176.83 176.83 2wmm h ARG 786 N 0.85 0.48 -0.27 3.45 9.65 -1.10 -0.57 114.38 126.87 2wmm h ARG 786 Ca 0.14 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.99 2wmm h ARG 786 Cb 0.65 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.10 2wmm h ARG 786 CO 0.04 0.39 0.08 0.82 2.80 0.00 0.00 179.97 184.11 2wmm h ILE 787 N 0.44 0.91 0.15 1.20 2.04 -1.11 0.17 117.51 121.31 2wmm h ILE 787 Ca 0.12 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 2wmm h ILE 787 Cb 0.05 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2wmm h ILE 787 CO -0.02 0.03 -0.07 -0.33 0.00 0.00 0.00 178.15 177.76 2wmm h GLU 788 N 0.19 -0.19 -0.09 2.37 5.08 -1.22 0.15 114.58 120.87 2wmm h GLU 788 Ca 0.12 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2wmm h GLU 788 Cb 0.10 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 2wmm h GLU 788 CO -0.14 -0.03 -0.18 1.03 -1.00 0.00 0.00 179.01 178.69 2wmm h SER 789 N -0.32 -0.54 -0.86 1.42 0.87 -0.93 0.11 113.55 113.29 2wmm h SER 789 Ca -0.02 0.09 0.10 0.00 -1.23 0.00 0.00 61.79 60.73 2wmm h SER 789 Cb 0.25 0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.40 2wmm h SER 789 CO 0.03 -0.23 0.56 -0.07 -0.53 0.00 0.00 176.83 176.59 2wmm h LEU 790 N -0.25 0.76 -0.45 2.23 3.38 -0.51 -0.22 115.31 120.25 2wmm h LEU 790 Ca 0.08 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2wmm h LEU 790 Cb 0.37 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2wmm h LEU 790 CO -0.23 0.45 0.04 -0.74 0.09 0.00 0.00 178.44 178.05 2wmm h HIS 791 N 0.84 0.82 -0.83 1.13 2.76 0.79 0.24 115.15 120.89 2wmm h HIS 791 Ca 0.40 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.43 2wmm h HIS 791 Cb 0.41 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 29.11 2wmm h HIS 791 CO -0.00 0.79 0.46 0.00 -1.30 0.00 0.00 177.93 177.87 2wmm h ALA 792 N 0.93 1.23 -0.51 5.26 0.00 0.34 -1.97 119.26 124.54 2wmm h ALA 792 Ca 0.13 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2wmm h ALA 792 Cb 0.43 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2wmm h ALA 792 CO 0.01 0.62 -0.13 1.49 0.00 0.00 0.00 179.25 181.24 2wmm h GLU 793 N 1.16 1.00 -0.25 0.00 4.81 -0.78 -2.81 114.58 117.71 2wmm h GLU 793 Ca 0.29 -0.39 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 2wmm h GLU 793 Cb 0.03 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 2wmm h GLU 793 CO -0.05 1.07 -0.02 -0.09 -0.73 0.00 0.00 179.01 179.19 2wmm h ARG 794 N 0.86 0.05 -0.73 1.92 1.12 -0.47 -1.86 114.38 115.27 2wmm h ARG 794 Ca 0.13 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.97 2wmm h ARG 794 Cb 0.70 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.62 2wmm h ARG 794 CO 0.05 0.03 0.36 0.93 -3.11 0.00 0.00 179.97 178.24 2wmm h GLU 795 N 0.05 1.05 -0.35 0.20 4.39 -1.31 0.50 114.58 119.11 2wmm h GLU 795 Ca 0.12 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2wmm h GLU 795 Cb 0.16 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2wmm h GLU 795 CO -0.22 0.81 0.20 0.28 -1.16 0.00 0.00 179.01 178.92 2wmm h VAL 796 N 1.02 1.13 -0.53 3.13 2.07 -1.23 -1.55 116.25 120.30 2wmm h VAL 796 Ca 0.25 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 2wmm h VAL 796 Cb 0.10 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2wmm h VAL 796 CO -0.03 0.14 0.10 -0.07 0.02 0.00 0.00 177.57 177.73 2wmm h LEU 797 N 0.44 0.76 -0.62 2.57 3.38 -0.95 0.48 115.31 121.38 2wmm h LEU 797 Ca 0.12 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2wmm h LEU 797 Cb 0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2wmm h LEU 797 CO -0.02 0.77 0.13 -1.28 0.09 0.00 0.00 178.44 178.13 2wmm h SER 798 N 0.78 0.95 -0.41 -0.43 0.87 -0.63 0.48 113.55 115.17 2wmm h SER 798 Ca 0.17 -0.24 -0.14 0.00 -1.23 0.00 0.00 61.79 60.34 2wmm h SER 798 Cb 0.32 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2wmm h SER 798 CO 0.00 0.95 -0.28 -0.33 -0.53 0.00 0.00 176.83 176.64 2wmm h GLU 799 N 0.91 0.94 -0.08 2.24 5.08 -0.87 -1.74 114.58 121.07 2wmm h GLU 799 Ca 0.19 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2wmm h GLU 799 Cb 0.38 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2wmm h GLU 799 CO 0.01 1.10 0.03 -0.09 -1.00 0.00 0.00 179.01 179.06 2wmm h ARG 800 N 0.80 0.11 -0.25 2.33 2.43 -0.69 -2.73 114.38 116.38 2wmm h ARG 800 Ca 0.09 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 2wmm h ARG 800 Cb 0.86 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.32 2wmm h ARG 800 CO 0.08 0.22 -0.24 0.35 -1.51 0.00 0.00 179.97 178.87 2wmm h PHE 801 N -0.02 -0.64 -0.33 2.20 3.57 -0.79 -1.18 116.94 119.75 2wmm h PHE 801 Ca 0.03 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.66 2wmm h PHE 801 Cb 0.15 0.32 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2wmm h PHE 801 CO -0.02 -0.32 0.30 0.00 -2.23 0.00 0.00 178.31 176.04 2wmm h ALA 802 N 0.81 2.12 -0.00 2.41 0.00 -1.18 1.25 119.26 124.67 2wmm h ALA 802 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wmm h ALA 802 Cb 0.46 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wmm h ALA 802 CO -0.39 -0.47 -0.24 2.41 0.00 0.00 0.00 179.25 180.56 2wmm n THR 803 N -4.03 0.00 -0.66 0.00 -1.04 -0.51 -5.11 114.28 102.93 2wmm n THR 803 Ca 0.05 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2wmm n THR 803 Cb 0.46 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 2wmm n THR 803 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32