#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x86 s PRO 767 N 0.00 3.48 0.15 0.52 0.04 -1.26 -5.07 135.00 132.87 1x86 s PRO 767 Ca 0.00 -0.31 0.03 0.00 0.04 0.00 0.00 61.00 60.76 1x86 s PRO 767 Cb 0.00 -2.65 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 1x86 s PRO 767 CO 0.00 0.13 0.23 0.54 0.04 0.00 0.00 177.00 177.93 1x86 s ASN 768 N -4.04 6.04 0.55 6.66 4.22 -1.26 -4.98 114.94 122.12 1x86 s ASN 768 Ca 0.40 0.06 0.27 0.00 -2.14 0.00 0.00 52.86 51.46 1x86 s ASN 768 Cb -0.10 -1.74 1.45 0.00 1.28 0.00 0.00 41.25 42.15 1x86 s ASN 768 CO 0.36 0.06 1.97 -0.25 -2.04 0.00 0.00 177.10 177.20 1x86 h TRP 769 N 2.26 0.00 0.00 1.54 7.01 -1.95 0.19 115.95 125.00 1x86 h TRP 769 Ca -0.48 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.52 1x86 h TRP 769 Cb 1.20 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.26 1x86 h TRP 769 CO 0.55 0.00 0.00 1.96 -2.79 0.00 0.00 178.44 178.16 1x86 h GLN 770 N 0.00 0.00 0.00 2.65 4.20 -1.94 -3.04 115.11 116.98 1x86 h GLN 770 Ca 0.26 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.82 1x86 h GLN 770 Cb 1.12 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.88 1x86 h GLN 770 CO -0.00 0.00 -0.74 1.96 -0.67 0.00 0.00 178.83 179.38 1x86 h GLN 771 N 0.00 0.00 -0.44 1.46 1.08 -1.01 -3.29 115.11 112.91 1x86 h GLN 771 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1x86 h GLN 771 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1x86 h GLN 771 CO 0.00 0.68 0.00 1.28 -0.95 0.00 0.00 178.83 179.84 1x86 n LEU 772 N -3.26 4.96 -4.47 1.46 4.77 -1.15 -4.86 117.00 114.44 1x86 n LEU 772 Ca 0.01 -2.97 -0.33 0.00 -0.03 0.00 0.00 56.01 52.69 1x86 n LEU 772 Cb 0.82 -0.63 -0.13 0.00 -2.33 0.00 0.00 43.42 41.15 1x86 n LEU 772 CO 0.43 0.65 -0.45 -0.69 -1.33 0.00 0.00 177.39 176.00 1x86 s VAL 773 N -2.79 3.05 0.40 4.08 1.01 -1.24 -4.90 120.40 120.00 1x86 s VAL 773 Ca 0.49 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 61.50 1x86 s VAL 773 Cb 0.39 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 34.49 1x86 s VAL 773 CO 0.13 0.59 1.15 -0.94 0.00 0.00 0.00 175.10 176.03 1x86 s SER 774 N -0.71 6.58 0.32 3.32 1.04 -1.26 -4.92 113.70 118.08 1x86 s SER 774 Ca 0.11 2.30 0.09 0.00 0.48 0.00 0.00 55.95 58.93 1x86 s SER 774 Cb -0.11 -2.61 0.84 0.00 0.10 0.00 0.00 66.02 64.24 1x86 s SER 774 CO 0.01 -0.63 1.77 -0.09 0.98 0.00 0.00 173.24 175.27 1x86 h ARG 775 N 2.66 0.64 -0.92 4.02 9.65 -1.98 -0.50 114.38 127.95 1x86 h ARG 775 Ca -0.49 -0.04 0.11 0.00 -1.10 0.00 0.00 59.98 58.46 1x86 h ARG 775 Cb 1.23 -0.14 -0.13 0.00 -1.39 0.00 0.00 29.97 29.54 1x86 h ARG 775 CO 0.63 0.42 -0.47 0.39 2.80 0.00 0.00 179.97 183.74 1x86 n GLU 776 N -4.76 -0.33 0.43 0.20 4.71 -1.26 -1.50 120.64 118.13 1x86 n GLU 776 Ca 0.24 1.40 -0.18 0.00 -0.01 0.00 0.00 57.16 58.61 1x86 n GLU 776 Cb 0.65 -2.07 -0.09 0.00 -1.01 0.00 0.00 31.44 28.92 1x86 n GLU 776 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1x86 h VAL 777 N 0.00 0.16 -0.59 2.62 2.07 -1.47 -3.24 116.25 115.81 1x86 h VAL 777 Ca 0.21 -0.09 0.16 0.00 0.82 0.00 0.00 66.70 67.81 1x86 h VAL 777 Cb 0.45 0.18 -0.11 0.00 -1.52 0.00 0.00 31.29 30.28 1x86 h VAL 777 CO -0.89 0.01 0.02 0.18 0.02 0.00 0.00 177.57 176.91 1x86 n LEU 778 N -5.53 -0.06 -0.06 2.57 4.77 -0.56 0.62 117.00 118.75 1x86 n LEU 778 Ca -0.14 1.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.71 1x86 n LEU 778 Cb 0.43 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1x86 n LEU 778 CO 0.37 -1.01 0.48 -0.07 -1.33 0.00 0.00 177.39 175.83 1x86 h LEU 779 N 0.00 0.87 -2.07 2.23 4.07 -1.54 -3.15 115.31 115.72 1x86 h LEU 779 Ca 0.36 -0.45 0.10 0.00 0.08 0.00 0.00 57.88 57.97 1x86 h LEU 779 Cb 0.75 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.23 1x86 h LEU 779 CO -0.55 1.22 0.27 1.23 -1.08 0.00 0.00 178.44 179.53 1x86 h GLY 780 N 0.82 0.00 -4.46 0.83 0.00 0.09 -3.43 103.07 96.92 1x86 h GLY 780 Ca 0.02 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.77 1x86 h GLY 780 CO 0.11 0.00 -0.26 1.08 0.00 0.00 0.00 176.54 177.47 1x86 s LEU 781 N -8.31 4.32 0.55 3.11 1.43 -1.19 -5.10 118.68 113.49 1x86 s LEU 781 Ca -0.05 0.74 -0.17 0.00 -1.03 0.00 0.00 54.13 53.62 1x86 s LEU 781 Cb 0.17 -3.09 -0.06 0.00 0.03 0.00 0.00 46.19 43.25 1x86 s LEU 781 CO 0.65 0.13 1.03 -0.54 0.23 0.00 0.00 176.35 177.85 1x86 s LYS 782 N -2.14 3.61 0.14 1.70 1.02 -1.26 -4.92 119.74 117.90 1x86 s LYS 782 Ca 0.36 1.14 -0.20 0.00 0.02 0.00 0.00 55.97 57.29 1x86 s LYS 782 Cb -0.13 -2.08 0.02 0.00 -0.52 0.00 0.00 37.83 35.12 1x86 s LYS 782 CO 0.20 -0.56 1.68 -1.00 -0.92 0.00 0.00 175.35 174.74 1x86 h PRO 783 N 0.77 -0.05 -0.46 -1.68 0.13 -1.96 -2.29 132.00 126.46 1x86 h PRO 783 Ca -0.47 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 1x86 h PRO 783 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1x86 h PRO 783 CO 0.59 -0.03 -0.17 0.00 -0.23 0.00 0.00 178.00 178.16 1x86 h GLU 785 N 0.76 0.36 -0.82 0.00 4.57 -1.66 0.20 114.58 117.99 1x86 h GLU 785 Ca 0.11 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.30 1x86 h GLU 785 Cb 0.73 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.19 1x86 h GLU 785 CO 0.06 0.24 0.52 0.82 -1.18 0.00 0.00 179.01 179.47 1x86 h ILE 786 N 0.37 1.13 -0.77 2.32 2.04 -1.17 0.17 117.51 121.60 1x86 h ILE 786 Ca 0.51 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 66.07 1x86 h ILE 786 Cb 0.92 0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 1x86 h ILE 786 CO -0.52 0.19 0.46 0.11 0.00 0.00 0.00 178.15 178.39 1x86 h LYS 787 N 1.02 0.83 -0.35 2.37 1.57 -0.67 -2.09 116.57 119.26 1x86 h LYS 787 Ca 0.32 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 59.10 1x86 h LYS 787 Cb 0.00 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.08 1x86 h LYS 787 CO -0.11 0.55 0.08 -0.09 -0.57 0.00 0.00 179.45 179.32 1x86 h ARG 788 N 0.86 0.21 -0.61 3.15 2.43 0.11 -1.86 114.38 118.67 1x86 h ARG 788 Ca 0.33 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.50 1x86 h ARG 788 Cb 0.14 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1x86 h ARG 788 CO -0.16 0.14 0.39 1.96 -1.51 0.00 0.00 179.97 180.79 1x86 h GLN 789 N 0.21 0.77 -0.99 0.20 1.08 -0.83 -1.98 115.11 113.56 1x86 h GLN 789 Ca 0.17 -0.05 0.11 0.00 -1.45 0.00 0.00 58.65 57.43 1x86 h GLN 789 Cb 0.18 -0.17 -0.08 0.00 -0.05 0.00 0.00 27.48 27.35 1x86 h GLN 789 CO -0.21 0.51 0.63 0.93 -0.95 0.00 0.00 178.83 179.74 1x86 h GLU 790 N 0.79 0.99 -0.03 1.46 4.39 -0.68 0.14 114.58 121.64 1x86 h GLU 790 Ca 0.23 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.85 1x86 h GLU 790 Cb -0.05 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.38 1x86 h GLU 790 CO -0.07 0.66 -0.09 0.28 -1.16 0.00 0.00 179.01 178.63 1x86 h VAL 791 N 1.02 1.48 -0.87 3.13 2.07 -0.80 -2.16 116.25 120.12 1x86 h VAL 791 Ca 0.48 -1.54 0.22 0.00 0.82 0.00 0.00 66.70 66.68 1x86 h VAL 791 Cb 0.42 2.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.56 1x86 h VAL 791 CO -0.25 0.41 0.59 0.40 0.02 0.00 0.00 177.57 178.75 1x86 h ILE 792 N -0.47 0.64 0.07 4.57 2.04 -0.83 0.41 117.51 123.93 1x86 h ILE 792 Ca -0.00 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1x86 h ILE 792 Cb 0.72 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1x86 h ILE 792 CO 0.02 0.05 -0.09 -1.13 0.00 0.00 0.00 178.15 176.99 1x86 h ASN 793 N 0.25 -0.27 -0.85 1.72 -0.00 -0.46 -2.64 115.58 113.33 1x86 h ASN 793 Ca 0.44 0.02 0.15 0.00 -0.00 0.00 0.00 56.30 56.91 1x86 h ASN 793 Cb 1.32 0.09 -0.10 0.00 -0.00 0.00 0.00 38.32 39.63 1x86 h ASN 793 CO -0.11 -0.12 0.43 -0.08 -0.00 0.00 0.00 177.43 177.55 1x86 h GLU 794 N -0.17 0.58 -0.41 6.67 4.81 0.34 1.04 114.58 127.45 1x86 h GLU 794 Ca -0.01 -0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1x86 h GLU 794 Cb 0.15 -0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.32 1x86 h GLU 794 CO -0.03 0.39 -0.12 1.25 -0.73 0.00 0.00 179.01 179.77 1x86 h LEU 795 N 0.60 -0.43 0.49 1.64 5.85 -0.87 0.92 115.31 123.51 1x86 h LEU 795 Ca 0.47 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 59.30 1x86 h LEU 795 Cb 0.69 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.00 1x86 h LEU 795 CO -0.38 -0.15 -0.23 -0.26 -0.34 0.00 0.00 178.44 177.08 1x86 h PHE 796 N -0.02 -0.61 0.00 1.25 0.04 0.13 -2.68 116.94 115.06 1x86 h PHE 796 Ca 0.20 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.92 1x86 h PHE 796 Cb 0.33 0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 1x86 h PHE 796 CO -0.38 -0.38 -0.18 0.10 -0.60 0.00 0.00 178.31 176.88 1x86 h TYR 797 N -1.17 0.00 0.59 -0.55 -0.00 -0.24 0.24 116.97 115.84 1x86 h TYR 797 Ca -0.07 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.64 1x86 h TYR 797 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.23 1x86 h TYR 797 CO 0.00 0.18 -0.32 1.15 -0.00 0.00 0.00 178.16 179.17 1x86 h THR 798 N 0.00 0.35 -0.98 -0.90 2.02 0.75 -2.37 112.91 111.78 1x86 h THR 798 Ca -0.00 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.36 1x86 h THR 798 Cb 0.44 0.35 -0.09 0.00 -1.74 0.00 0.00 68.15 67.11 1x86 h THR 798 CO 0.02 0.00 0.61 -0.08 0.37 0.00 0.00 175.52 176.45 1x86 h GLU 799 N -0.84 0.69 0.83 6.66 4.57 -0.20 0.37 114.58 126.66 1x86 h GLU 799 Ca -0.08 -0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.02 1x86 h GLU 799 Cb 0.66 -0.16 0.01 0.00 -0.16 0.00 0.00 28.75 29.10 1x86 h GLU 799 CO 0.11 0.46 -0.40 -0.09 -1.18 0.00 0.00 179.01 177.91 1x86 h ARG 800 N 0.71 -1.08 -0.03 1.92 2.43 -1.30 -1.06 114.38 115.98 1x86 h ARG 800 Ca 0.54 0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.79 1x86 h ARG 800 Cb 0.90 0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1x86 h ARG 800 CO -0.31 -0.72 0.08 0.00 -1.51 0.00 0.00 179.97 177.51 1x86 h ALA 801 N -1.25 1.26 0.41 2.80 0.00 -0.21 0.17 119.26 122.44 1x86 h ALA 801 Ca -0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1x86 h ALA 801 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1x86 h ALA 801 CO 0.19 -0.09 -0.20 1.25 0.00 0.00 0.00 179.25 180.40 1x86 h HIS 802 N 0.00 -0.51 -0.94 0.00 -0.00 -0.31 -2.27 115.15 111.13 1x86 h HIS 802 Ca 0.01 -0.01 0.25 0.00 -0.00 0.00 0.00 60.37 60.62 1x86 h HIS 802 Cb 0.17 0.17 -0.05 0.00 -0.00 0.00 0.00 27.41 27.69 1x86 h HIS 802 CO 0.00 -0.30 0.65 0.28 -0.00 0.00 0.00 177.93 178.56 1x86 h VAL 803 N -1.14 0.57 0.34 5.26 2.07 0.57 0.95 116.25 124.87 1x86 h VAL 803 Ca -0.06 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1x86 h VAL 803 Cb 0.43 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1x86 h VAL 803 CO 0.09 0.03 -0.30 -0.09 0.02 0.00 0.00 177.57 177.32 1x86 h ARG 804 N 0.17 -0.60 -0.53 1.57 2.43 -0.85 0.12 114.38 116.68 1x86 h ARG 804 Ca 0.47 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.78 1x86 h ARG 804 Cb 1.57 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 31.17 1x86 h ARG 804 CO -0.09 -0.40 0.04 1.15 -1.51 0.00 0.00 179.97 179.16 1x86 h THR 805 N -0.63 0.62 -0.39 0.20 2.02 0.15 0.66 112.91 115.55 1x86 h THR 805 Ca -0.04 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.16 1x86 h THR 805 Cb 0.53 0.45 -0.08 0.00 -1.74 0.00 0.00 68.15 67.31 1x86 h THR 805 CO -0.02 0.03 -0.17 -0.07 0.37 0.00 0.00 175.52 175.67 1x86 h LEU 806 N 0.16 -0.57 -0.77 2.58 3.38 -1.10 -1.22 115.31 117.77 1x86 h LEU 806 Ca 0.27 0.14 0.17 0.00 0.09 0.00 0.00 57.88 58.55 1x86 h LEU 806 Cb 0.40 0.32 -0.11 0.00 0.09 0.00 0.00 40.66 41.36 1x86 h LEU 806 CO -0.41 -0.20 0.24 0.11 0.09 0.00 0.00 178.44 178.27 1x86 h LYS 807 N -0.09 0.31 0.01 1.13 1.57 0.30 -0.83 116.57 118.97 1x86 h LYS 807 Ca 0.19 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1x86 h LYS 807 Cb 0.39 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1x86 h LYS 807 CO -0.45 0.21 -0.05 0.28 -0.57 0.00 0.00 179.45 178.87 1x86 h VAL 808 N 0.32 0.88 -0.82 0.50 2.07 0.27 0.58 116.25 120.06 1x86 h VAL 808 Ca 0.44 0.00 0.07 0.00 0.82 0.00 0.00 66.70 68.04 1x86 h VAL 808 Cb 0.76 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 1x86 h VAL 808 CO -0.50 0.00 0.48 0.25 0.02 0.00 0.00 177.57 177.83 1x86 h LEU 809 N -0.09 0.73 0.44 2.57 5.85 -0.58 0.55 115.31 124.78 1x86 h LEU 809 Ca 0.02 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1x86 h LEU 809 Cb 0.10 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1x86 h LEU 809 CO -0.04 0.45 -0.21 -0.78 -0.34 0.00 0.00 178.44 177.51 1x86 h ASP 810 N 0.85 -0.50 0.04 1.25 1.82 -0.64 -2.84 116.42 116.39 1x86 h ASP 810 Ca 0.37 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 57.03 1x86 h ASP 810 Cb 0.25 0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1x86 h ASP 810 CO -0.20 -0.22 -0.02 -0.61 -1.61 0.00 0.00 179.24 176.58 1x86 h GLN 811 N -0.89 -0.05 -0.56 0.28 4.15 0.54 0.42 115.11 119.00 1x86 h GLN 811 Ca -0.06 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.27 1x86 h GLN 811 Cb 0.46 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1x86 h GLN 811 CO 0.10 0.57 -0.01 0.28 -1.93 0.00 0.00 178.83 177.83 1x86 h VAL 812 N -0.72 1.26 0.00 2.39 2.07 -0.09 -3.33 116.25 117.84 1x86 h VAL 812 Ca -0.00 -1.13 0.00 0.00 0.82 0.00 0.00 66.70 66.39 1x86 h VAL 812 Cb 0.63 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1x86 h VAL 812 CO 0.01 0.40 0.00 0.49 0.02 0.00 0.00 177.57 178.49 1x86 n PHE 813 N -4.18 0.00 -0.14 1.57 3.72 -1.19 -4.65 117.46 112.59 1x86 n PHE 813 Ca 0.03 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.39 1x86 n PHE 813 Cb 0.34 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.85 1x86 n PHE 813 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1x86 n TYR 814 N 0.00 -0.14 -0.09 1.38 9.36 -1.08 -0.19 117.16 126.40 1x86 n TYR 814 Ca 0.00 0.40 0.18 0.00 3.32 0.00 0.00 57.90 61.80 1x86 n TYR 814 Cb 0.00 -0.45 0.60 0.00 -0.63 0.00 0.00 39.34 38.86 1x86 n TYR 814 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1x86 h GLN 815 N 0.00 0.20 0.00 2.98 5.75 -0.34 0.23 115.11 123.92 1x86 h GLN 815 Ca 0.05 -0.01 -0.18 0.00 -0.15 0.00 0.00 58.65 58.35 1x86 h GLN 815 Cb 0.13 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 1x86 h GLN 815 CO -0.30 0.13 -2.06 -2.13 -2.65 0.00 0.00 178.83 171.82 1x86 n ARG 816 N -4.42 0.90 0.08 1.69 0.63 0.73 -2.85 116.66 113.42 1x86 n ARG 816 Ca 0.12 -0.08 -0.07 0.00 -0.92 0.00 0.00 57.85 56.90 1x86 n ARG 816 Cb 0.58 -1.45 -0.08 0.00 0.45 0.00 0.00 32.46 31.97 1x86 n ARG 816 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 1x86 h VAL 817 N 0.00 1.64 0.44 5.15 3.04 -0.27 -2.93 116.25 123.32 1x86 h VAL 817 Ca -0.27 -3.15 -0.02 0.00 -1.01 0.00 0.00 66.70 62.24 1x86 h VAL 817 Cb 1.57 2.74 0.00 0.00 -2.01 0.00 0.00 31.29 33.59 1x86 h VAL 817 CO 0.01 0.90 -0.21 -1.28 -1.01 0.00 0.00 177.57 175.99 1x86 h SER 818 N 0.02 -0.50 -0.85 3.17 0.87 -0.67 -2.97 113.55 112.62 1x86 h SER 818 Ca -0.03 -0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.58 1x86 h SER 818 Cb 1.68 0.13 -0.12 0.00 -0.44 0.00 0.00 62.40 63.65 1x86 h SER 818 CO 0.13 -0.26 -0.52 -0.09 -0.53 0.00 0.00 176.83 175.56 1x86 h ARG 819 N -0.72 -0.09 -0.28 2.24 2.43 -1.62 -3.22 114.38 113.12 1x86 h ARG 819 Ca -0.06 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1x86 h ARG 819 Cb 0.52 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1x86 h ARG 819 CO 0.10 -0.06 -0.17 0.93 -1.51 0.00 0.00 179.97 179.26 1x86 h GLU 820 N -0.09 -0.01 0.00 0.20 4.39 -1.34 -3.47 114.58 114.26 1x86 h GLU 820 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 1x86 h GLU 820 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1x86 h GLU 820 CO -0.86 -0.00 0.00 0.41 -1.16 0.00 0.00 179.01 177.39 1x86 n GLY 821 N -1.07 3.10 0.14 -3.84 0.00 -1.22 -5.04 105.19 97.26 1x86 n GLY 821 Ca 0.00 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.61 1x86 n GLY 821 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x86 n ILE 822 N 0.00 -0.17 -4.93 -0.61 5.41 -1.26 -4.62 119.36 113.17 1x86 n ILE 822 Ca 0.00 0.89 -0.32 0.00 1.00 0.00 0.00 62.75 64.33 1x86 n ILE 822 Cb 0.00 -1.22 -0.14 0.00 -0.71 0.00 0.00 39.64 37.57 1x86 n ILE 822 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1x86 s LEU 823 N -9.23 2.54 0.36 1.39 1.43 -1.26 -5.01 118.68 108.89 1x86 s LEU 823 Ca -0.06 -0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 52.50 1x86 s LEU 823 Cb 0.10 -1.49 -0.10 0.00 0.03 0.00 0.00 46.19 44.72 1x86 s LEU 823 CO 0.30 0.32 0.91 -0.94 0.23 0.00 0.00 176.35 177.17 1x86 s SER 824 N -0.88 7.10 0.33 2.29 1.04 -1.26 -4.72 113.70 117.59 1x86 s SER 824 Ca 0.12 1.70 0.12 0.00 0.48 0.00 0.00 55.95 58.37 1x86 s SER 824 Cb -0.10 -2.53 1.02 0.00 0.10 0.00 0.00 66.02 64.51 1x86 s SER 824 CO 0.01 -0.20 1.65 -0.65 0.98 0.00 0.00 173.24 175.04 1x86 h PRO 825 N 2.58 0.28 0.00 4.02 0.11 -1.99 0.91 132.00 137.91 1x86 h PRO 825 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1x86 h PRO 825 Cb 1.19 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1x86 h PRO 825 CO 0.63 0.18 0.00 0.45 -0.21 0.00 0.00 178.00 179.06 1x86 n SER 826 N -5.10 0.00 -0.32 -2.05 2.88 -1.26 -1.45 113.62 106.31 1x86 n SER 826 Ca 0.30 0.52 0.23 0.00 -1.33 0.00 0.00 58.87 58.60 1x86 n SER 826 Cb 0.94 -0.02 0.46 0.00 -0.75 0.00 0.00 64.21 64.83 1x86 n SER 826 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1x86 h GLU 827 N 0.00 0.16 0.00 -1.46 5.08 0.44 0.70 114.58 119.50 1x86 h GLU 827 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1x86 h GLU 827 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1x86 h GLU 827 CO 0.00 0.10 0.00 1.28 -1.00 0.00 0.00 179.01 179.39 1x86 n LEU 828 N -5.20 0.00 0.32 1.33 4.77 -0.48 -1.74 117.00 116.00 1x86 n LEU 828 Ca 0.31 0.76 0.20 0.00 -0.03 0.00 0.00 56.01 57.25 1x86 n LEU 828 Cb 1.00 -0.26 1.08 0.00 -2.33 0.00 0.00 43.42 42.92 1x86 n LEU 828 CO 0.04 -0.26 1.14 -0.09 -1.33 0.00 0.00 177.39 176.89 1x86 h ARG 829 N 0.00 0.00 -0.35 3.23 2.43 0.31 0.27 114.38 120.28 1x86 h ARG 829 Ca 0.00 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1x86 h ARG 829 Cb 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1x86 h ARG 829 CO 0.00 0.01 0.22 -0.22 -1.51 0.00 0.00 179.97 178.46 1x86 h LYS 830 N 0.00 0.43 0.00 0.20 1.63 0.38 0.41 116.57 119.61 1x86 h LYS 830 Ca -0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1x86 h LYS 830 Cb 0.09 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1x86 h LYS 830 CO 0.00 0.28 0.00 -0.89 -3.45 0.00 0.00 179.45 175.39 1x86 n ILE 831 N -4.87 0.00 0.13 2.00 5.41 0.80 -3.91 119.36 118.92 1x86 n ILE 831 Ca -0.00 0.60 -0.01 0.00 1.00 0.00 0.00 62.75 64.35 1x86 n ILE 831 Cb 0.04 -1.39 0.12 0.00 -0.71 0.00 0.00 39.64 37.71 1x86 n ILE 831 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1x86 h PHE 832 N 0.00 0.00 0.00 1.39 0.04 -1.20 -3.43 116.94 113.74 1x86 h PHE 832 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1x86 h PHE 832 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1x86 h PHE 832 CO 0.04 0.64 0.00 -1.13 -0.60 0.00 0.00 178.31 177.26 1x86 n SER 833 N -3.57 0.00 -3.11 2.17 3.41 0.13 -2.48 113.62 110.17 1x86 n SER 833 Ca -0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.22 1x86 n SER 833 Cb 0.68 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.66 1x86 n SER 833 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1x86 n ASN 834 N 8.25 7.06 0.24 4.04 6.94 -1.26 -4.78 115.26 135.75 1x86 n ASN 834 Ca 0.00 -3.77 -0.14 0.00 -0.02 0.00 0.00 54.58 50.65 1x86 n ASN 834 Cb 0.00 -1.02 -0.07 0.00 -2.36 0.00 0.00 39.78 36.33 1x86 n ASN 834 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1x86 h LEU 835 N 3.35 -0.54 -0.12 -4.53 5.85 -1.89 -2.53 115.31 114.89 1x86 h LEU 835 Ca 0.51 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 59.20 1x86 h LEU 835 Cb 0.22 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 1x86 h LEU 835 CO 1.27 -0.18 0.06 1.21 -0.34 0.00 0.00 178.44 180.46 1x86 n GLU 836 N -5.25 -0.01 -0.10 1.25 4.07 -1.26 -0.94 120.64 118.41 1x86 n GLU 836 Ca -0.10 0.16 -0.18 0.00 -0.06 0.00 0.00 57.16 56.98 1x86 n GLU 836 Cb 0.31 -0.29 -0.09 0.00 -0.06 0.00 0.00 31.44 31.31 1x86 n GLU 836 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1x86 h ASP 837 N 0.00 0.00 0.24 4.31 3.58 -1.83 -3.16 116.42 119.56 1x86 h ASP 837 Ca 0.10 -0.40 -0.06 0.00 0.42 0.00 0.00 57.03 57.09 1x86 h ASP 837 Cb 0.25 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 1x86 h ASP 837 CO -0.09 1.33 -0.25 0.16 -2.88 0.00 0.00 179.24 177.50 1x86 h ILE 838 N -1.00 1.19 0.22 2.25 3.07 -1.40 -2.50 117.51 119.34 1x86 h ILE 838 Ca -0.27 -0.90 0.01 0.00 1.55 0.00 0.00 64.86 65.25 1x86 h ILE 838 Cb 1.12 1.46 -0.04 0.00 -0.27 0.00 0.00 36.82 39.10 1x86 h ILE 838 CO -0.16 0.26 -0.44 0.25 -1.05 0.00 0.00 178.15 177.00 1x86 h LEU 839 N 0.02 -1.27 -0.79 0.16 5.85 -1.13 0.22 115.31 118.36 1x86 h LEU 839 Ca 0.00 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1x86 h LEU 839 Cb 0.46 0.46 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 1x86 h LEU 839 CO 0.03 -0.53 0.50 1.56 -0.34 0.00 0.00 178.44 179.66 1x86 h GLN 840 N -0.74 0.92 0.57 1.25 1.08 -1.48 0.52 115.11 117.23 1x86 h GLN 840 Ca -0.00 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 1x86 h GLN 840 Cb 0.72 -0.21 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1x86 h GLN 840 CO -0.20 0.61 -0.50 1.25 -0.95 0.00 0.00 178.83 179.04 1x86 h LEU 841 N 0.95 -1.35 -2.00 1.46 5.85 -0.92 0.33 115.31 119.63 1x86 h LEU 841 Ca 0.33 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1x86 h LEU 841 Cb 0.06 0.43 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1x86 h LEU 841 CO -0.13 -0.69 0.01 0.45 -0.34 0.00 0.00 178.44 177.74 1x86 h HIS 842 N -1.05 0.00 -0.16 1.25 3.86 -0.62 0.47 115.15 118.89 1x86 h HIS 842 Ca -0.07 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1x86 h HIS 842 Cb 0.90 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.36 1x86 h HIS 842 CO -0.22 0.00 0.05 0.82 0.86 0.00 0.00 177.93 179.44 1x86 h ILE 843 N 0.00 1.18 -0.38 2.45 2.04 0.39 0.73 117.51 123.93 1x86 h ILE 843 Ca 0.01 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 1x86 h ILE 843 Cb 0.03 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1x86 h ILE 843 CO -0.00 0.17 0.01 1.23 0.00 0.00 0.00 178.15 179.56 1x86 h GLY 844 N 0.08 0.63 1.88 5.37 0.00 0.99 -1.45 103.07 110.58 1x86 h GLY 844 Ca 0.05 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 1x86 h GLY 844 CO -0.00 0.35 -0.33 -2.00 0.00 0.00 0.00 176.54 174.56 1x86 h LEU 845 N 0.56 0.14 -0.02 3.11 5.85 0.21 -2.02 115.31 123.14 1x86 h LEU 845 Ca 0.12 -0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 1x86 h LEU 845 Cb 0.35 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.34 1x86 h LEU 845 CO 0.01 0.47 -0.39 -1.13 -0.34 0.00 0.00 178.44 177.07 1x86 h ASN 846 N 0.12 0.37 -0.95 1.25 -0.00 -0.37 -3.16 115.58 112.85 1x86 h ASN 846 Ca 0.02 -0.73 0.08 0.00 -0.00 0.00 0.00 56.30 55.66 1x86 h ASN 846 Cb 0.66 -0.11 -0.07 0.00 -0.00 0.00 0.00 38.32 38.80 1x86 h ASN 846 CO 0.05 1.06 0.61 -0.33 -0.00 0.00 0.00 177.43 178.82 1x86 h GLU 847 N -0.27 1.01 -0.95 6.67 4.39 -1.12 0.53 114.58 124.83 1x86 h GLU 847 Ca -0.04 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1x86 h GLU 847 Cb 1.10 -0.23 -0.05 0.00 -0.10 0.00 0.00 28.75 29.48 1x86 h GLU 847 CO 0.08 0.67 0.60 1.96 -1.16 0.00 0.00 179.01 181.15 1x86 h GLN 848 N 1.04 1.27 -0.11 2.33 4.20 -1.45 -1.66 115.11 120.73 1x86 h GLN 848 Ca 0.43 -0.10 -0.11 0.00 0.06 0.00 0.00 58.65 58.94 1x86 h GLN 848 Cb 0.29 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1x86 h GLN 848 CO -0.18 0.87 -0.35 0.52 -0.67 0.00 0.00 178.83 179.01 1x86 h MET 849 N 1.30 0.43 -0.94 1.46 2.86 -0.41 -1.03 114.93 118.60 1x86 h MET 849 Ca 0.34 -0.32 0.16 0.00 -2.06 0.00 0.00 59.70 57.82 1x86 h MET 849 Cb -0.10 0.06 -0.10 0.00 0.06 0.00 0.00 31.60 31.52 1x86 h MET 849 CO -0.07 0.94 0.54 0.87 1.06 0.00 0.00 176.91 180.25 1x86 h LYS 850 N -0.00 0.73 -0.90 1.72 1.57 -0.14 -1.74 116.57 117.81 1x86 h LYS 850 Ca -0.01 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1x86 h LYS 850 Cb 0.98 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 33.08 1x86 h LYS 850 CO 0.07 0.49 0.51 0.00 -0.57 0.00 0.00 179.45 179.95 1x86 h ALA 851 N 1.59 1.20 -0.26 3.86 0.00 -0.77 -1.75 119.26 123.12 1x86 h ALA 851 Ca 0.51 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.23 1x86 h ALA 851 Cb 0.71 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1x86 h ALA 851 CO -0.35 0.66 -0.13 0.28 0.00 0.00 0.00 179.25 179.71 1x86 h VAL 852 N 1.26 1.22 -0.01 0.00 2.07 -0.31 -2.35 116.25 118.12 1x86 h VAL 852 Ca 0.32 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1x86 h VAL 852 Cb -0.00 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1x86 h VAL 852 CO -0.05 0.32 -0.25 0.03 0.02 0.00 0.00 177.57 177.64 1x86 h ARG 853 N 0.41 0.02 -0.04 1.57 3.08 -0.89 -3.05 114.38 115.48 1x86 h ARG 853 Ca 0.08 -0.01 -0.13 0.00 0.07 0.00 0.00 59.98 60.00 1x86 h ARG 853 Cb 0.47 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1x86 h ARG 853 CO 0.03 0.27 -0.55 -0.22 -1.07 0.00 0.00 179.97 178.42 1x86 h LYS 854 N 0.02 0.12 0.00 0.04 3.64 -1.11 -3.34 116.57 115.93 1x86 h LYS 854 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1x86 h LYS 854 Cb 0.45 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1x86 h LYS 854 CO 0.03 0.64 0.00 0.54 -2.27 0.00 0.00 179.45 178.39 1x86 n ARG 855 N -3.89 0.19 -3.57 1.90 1.74 -1.15 -4.40 116.66 107.48 1x86 n ARG 855 Ca -0.02 0.14 -0.11 0.00 -0.77 0.00 0.00 57.85 57.09 1x86 n ARG 855 Cb 0.57 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.40 1x86 n ARG 855 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1x86 s ASN 856 N -2.42 0.24 0.34 0.55 2.20 -1.26 -5.05 114.94 109.54 1x86 s ASN 856 Ca 0.11 0.55 0.03 0.00 -0.94 0.00 0.00 52.86 52.61 1x86 s ASN 856 Cb 0.07 0.97 0.60 0.00 -2.00 0.00 0.00 41.25 40.89 1x86 s ASN 856 CO 0.15 -0.26 1.93 -0.08 -2.94 0.00 0.00 177.10 175.90 1x86 h GLU 857 N 8.23 0.71 -7.27 3.55 4.81 -1.86 -3.43 114.58 119.31 1x86 h GLU 857 Ca -0.16 -0.09 -0.50 0.00 -0.13 0.00 0.00 59.36 58.47 1x86 h GLU 857 Cb 1.13 -0.13 0.18 0.00 0.63 0.00 0.00 28.75 30.55 1x86 h GLU 857 CO 0.18 0.58 0.22 0.95 -0.73 0.00 0.00 179.01 180.21 1x86 s THR 858 N -5.36 2.46 -1.18 0.32 -4.23 -1.26 -4.91 115.64 101.48 1x86 s THR 858 Ca -0.09 0.15 0.20 0.00 -1.18 0.00 0.00 61.69 60.76 1x86 s THR 858 Cb 0.16 -2.36 0.24 0.00 1.34 0.00 0.00 72.50 71.88 1x86 s THR 858 CO 0.77 -0.19 1.62 -1.20 -0.54 0.00 0.00 174.62 175.08 1x86 n SER 859 N -4.10 0.00 -4.47 3.99 7.64 -1.26 -4.72 113.62 110.70 1x86 n SER 859 Ca 0.09 0.29 -0.43 0.00 1.01 0.00 0.00 58.87 59.83 1x86 n SER 859 Cb 0.53 -0.41 -0.07 0.00 -1.01 0.00 0.00 64.21 63.25 1x86 n SER 859 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1x86 s VAL 860 N -2.82 4.87 0.42 0.44 1.01 -1.26 -5.02 120.40 118.04 1x86 s VAL 860 Ca 0.13 -0.32 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 1x86 s VAL 860 Cb 0.13 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1x86 s VAL 860 CO 0.33 -0.72 1.29 -0.63 0.00 0.00 0.00 175.10 175.37 1x86 s ILE 861 N 2.65 2.62 0.00 2.22 1.09 -1.26 -4.97 121.20 123.55 1x86 s ILE 861 Ca 0.17 0.54 0.00 0.00 -1.10 0.00 0.00 60.65 60.26 1x86 s ILE 861 Cb -0.18 -3.31 0.00 0.00 -1.06 0.00 0.00 42.46 37.91 1x86 s ILE 861 CO 0.14 0.07 0.00 -0.67 -0.10 0.00 0.00 174.94 174.37 1x86 n ASP 862 N -0.02 0.00 -4.37 3.58 -0.08 -1.26 -5.01 116.55 109.39 1x86 n ASP 862 Ca 0.04 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.02 1x86 n ASP 862 Cb 0.44 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.76 1x86 n ASP 862 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x86 s GLN 863 N 0.41 1.92 0.00 -0.67 -2.07 -1.26 -5.05 119.66 112.94 1x86 s GLN 863 Ca 0.00 -1.05 0.00 0.00 -1.82 0.00 0.00 55.36 52.49 1x86 s GLN 863 Cb 0.00 -2.04 0.00 0.00 -1.09 0.00 0.00 33.01 29.88 1x86 s GLN 863 CO 0.00 0.53 0.02 1.51 -1.32 0.00 0.00 175.29 176.02 1x86 n ILE 864 N 1.83 0.00 -0.04 3.63 3.06 -1.26 -4.90 119.36 121.69 1x86 n ILE 864 Ca -0.17 -0.17 -0.11 0.00 -2.50 0.00 0.00 62.75 59.80 1x86 n ILE 864 Cb 0.52 1.06 -0.08 0.00 0.54 0.00 0.00 39.64 41.69 1x86 n ILE 864 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1x86 h GLY 865 N 0.00 -1.22 0.90 4.50 0.00 -1.93 -0.90 103.07 104.42 1x86 h GLY 865 Ca 0.00 0.70 0.12 0.00 0.00 0.00 0.00 47.33 48.15 1x86 h GLY 865 CO 0.00 -0.29 0.44 0.83 0.00 0.00 0.00 176.54 177.52 1x86 h GLU 866 N -0.40 0.36 -0.43 4.80 4.39 -1.91 -0.32 114.58 121.07 1x86 h GLU 866 Ca 0.03 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 1x86 h GLU 866 Cb 0.50 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1x86 h GLU 866 CO -0.37 0.24 -0.19 -0.44 -1.16 0.00 0.00 179.01 177.09 1x86 h ASP 867 N 0.37 0.91 0.21 1.42 3.32 -1.64 -0.53 116.42 120.48 1x86 h ASP 867 Ca 0.31 -0.40 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 1x86 h ASP 867 Cb 0.70 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1x86 h ASP 867 CO -0.08 1.11 -0.16 -0.07 -1.72 0.00 0.00 179.24 178.32 1x86 h LEU 868 N 0.71 -0.40 -1.64 1.55 3.38 0.21 -2.12 115.31 117.01 1x86 h LEU 868 Ca 0.10 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1x86 h LEU 868 Cb 0.76 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1x86 h LEU 868 CO 0.06 -0.24 0.29 -0.07 0.09 0.00 0.00 178.44 178.57 1x86 h LEU 869 N -0.37 0.40 -1.43 1.67 3.38 -1.14 0.33 115.31 118.16 1x86 h LEU 869 Ca -0.01 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x86 h LEU 869 Cb 0.33 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1x86 h LEU 869 CO -0.01 0.28 0.36 0.74 0.09 0.00 0.00 178.44 179.91 1x86 h THR 870 N 0.47 1.15 0.00 0.22 2.02 -0.53 0.34 112.91 116.58 1x86 h THR 870 Ca 0.18 -0.29 -0.08 0.00 0.77 0.00 0.00 66.41 66.99 1x86 h THR 870 Cb 0.13 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1x86 h THR 870 CO -0.04 0.15 -0.85 -0.50 0.37 0.00 0.00 175.52 174.64 1x86 h TRP 871 N 0.77 0.00 0.00 3.16 6.55 0.23 -3.37 115.95 123.29 1x86 h TRP 871 Ca 0.21 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.05 1x86 h TRP 871 Cb -0.07 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.23 1x86 h TRP 871 CO 0.00 0.30 0.00 1.19 -1.05 0.00 0.00 178.44 178.88 1x86 n PHE 872 N -2.94 0.00 -4.35 0.49 0.99 -0.39 -4.10 117.46 107.16 1x86 n PHE 872 Ca -0.02 -0.05 -0.20 0.00 -0.00 0.00 0.00 57.45 57.18 1x86 n PHE 872 Cb 0.68 -0.00 -0.11 0.00 -1.00 0.00 0.00 39.48 39.05 1x86 n PHE 872 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1x86 s SER 873 N -0.10 2.70 0.36 4.37 0.15 0.09 -3.81 113.70 117.46 1x86 s SER 873 Ca 0.00 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1x86 s SER 873 Cb 0.00 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1x86 s SER 873 CO 0.00 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1x86 n GLY 874 N -0.06 2.44 0.31 9.45 0.00 -1.26 -1.17 105.19 114.90 1x86 n GLY 874 Ca -0.10 0.32 0.13 0.00 0.00 0.00 0.00 46.02 46.37 1x86 n GLY 874 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1x86 h PRO 875 N 0.00 0.15 -0.03 1.61 0.11 -1.94 -0.17 132.00 131.72 1x86 h PRO 875 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1x86 h PRO 875 Cb 0.00 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 1x86 h PRO 875 CO 0.00 0.10 -0.05 0.78 -0.21 0.00 0.00 178.00 178.62 1x86 h GLY 876 N 0.15 0.10 -0.01 -0.55 0.00 -1.30 -1.98 103.07 99.47 1x86 h GLY 876 Ca 0.56 -0.11 0.11 0.00 0.00 0.00 0.00 47.33 47.89 1x86 h GLY 876 CO -0.71 0.10 -0.08 -2.09 0.00 0.00 0.00 176.54 173.76 1x86 h GLU 877 N -0.42 0.04 0.03 4.80 4.81 -1.23 -1.52 114.58 121.10 1x86 h GLU 877 Ca 0.00 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1x86 h GLU 877 Cb 0.59 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1x86 h GLU 877 CO 0.01 0.03 -0.02 0.93 -0.73 0.00 0.00 179.01 179.23 1x86 h GLU 878 N 0.04 -0.05 -0.72 1.92 4.39 -1.05 0.71 114.58 119.83 1x86 h GLU 878 Ca 0.27 0.00 0.16 0.00 0.34 0.00 0.00 59.36 60.13 1x86 h GLU 878 Cb 0.41 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 28.95 1x86 h GLU 878 CO -0.52 0.54 0.01 0.87 -1.16 0.00 0.00 179.01 178.75 1x86 h LYS 879 N -0.67 0.11 0.16 2.33 1.57 -1.29 -2.40 116.57 116.38 1x86 h LYS 879 Ca -0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1x86 h LYS 879 Cb 0.60 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1x86 h LYS 879 CO 0.01 0.07 -0.08 1.25 -0.57 0.00 0.00 179.45 180.13 1x86 h LEU 880 N 0.11 -0.19 -1.16 2.94 5.85 -1.17 -3.07 115.31 118.64 1x86 h LEU 880 Ca 0.39 -0.33 0.11 0.00 0.84 0.00 0.00 57.88 58.89 1x86 h LEU 880 Cb 0.68 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 1x86 h LEU 880 CO -0.63 0.37 0.60 0.07 -0.34 0.00 0.00 178.44 178.51 1x86 h LYS 881 N -0.90 0.86 -0.07 1.25 2.10 -0.77 0.34 116.57 119.39 1x86 h LYS 881 Ca -0.02 -0.05 -0.07 0.00 -2.00 0.00 0.00 60.65 58.51 1x86 h LYS 881 Cb 0.51 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 1x86 h LYS 881 CO 0.04 0.57 -0.21 0.45 -2.00 0.00 0.00 179.45 178.29 1x86 h HIS 882 N 0.88 0.34 -0.49 0.07 3.86 -1.54 -0.44 115.15 117.83 1x86 h HIS 882 Ca 0.45 -0.14 -0.11 0.00 -1.16 0.00 0.00 60.37 59.41 1x86 h HIS 882 Cb 0.50 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.89 1x86 h HIS 882 CO -0.00 0.83 -0.13 0.00 0.86 0.00 0.00 177.93 179.49 1x86 h ALA 883 N 0.44 0.83 -0.03 2.45 0.00 -1.33 -1.80 119.26 119.82 1x86 h ALA 883 Ca -0.01 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1x86 h ALA 883 Cb 0.84 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1x86 h ALA 883 CO 0.05 0.65 -0.13 0.00 0.00 0.00 0.00 179.25 179.82 1x86 h ALA 884 N 1.01 -0.12 0.14 0.00 0.00 -0.33 -2.73 119.26 117.23 1x86 h ALA 884 Ca 0.13 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1x86 h ALA 884 Cb 0.68 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1x86 h ALA 884 CO 0.05 -0.61 -0.24 0.00 0.00 0.00 0.00 179.25 178.45 1x86 h ALA 885 N 0.79 -0.85 -1.18 0.00 0.00 -0.87 -0.94 119.26 116.21 1x86 h ALA 885 Ca 0.06 -0.07 0.41 0.00 0.00 0.00 0.00 54.91 55.31 1x86 h ALA 885 Cb 0.27 0.57 -0.15 0.00 0.00 0.00 0.00 17.79 18.49 1x86 h ALA 885 CO -0.15 -0.89 0.72 1.15 0.00 0.00 0.00 179.25 180.08 1x86 h THR 886 N -0.41 0.12 0.00 0.00 2.02 -1.33 0.99 112.91 114.30 1x86 h THR 886 Ca -0.02 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1x86 h THR 886 Cb 0.38 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1x86 h THR 886 CO -0.08 0.02 -0.08 0.15 0.37 0.00 0.00 175.52 175.90 1x86 h PHE 887 N 0.11 0.00 -0.31 3.16 3.57 -1.26 -3.20 116.94 119.02 1x86 h PHE 887 Ca 0.81 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 62.27 1x86 h PHE 887 Cb 2.32 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 41.05 1x86 h PHE 887 CO -0.01 0.82 0.01 0.00 -2.23 0.00 0.00 178.31 176.90 1x86 h SER 889 N 0.33 0.47 0.79 0.00 0.87 -1.02 0.78 113.55 115.77 1x86 h SER 889 Ca 0.09 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1x86 h SER 889 Cb 0.42 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1x86 h SER 889 CO 0.01 -0.13 -0.04 -3.20 -0.53 0.00 0.00 176.83 172.95 1x86 n ASN 890 N -4.98 0.06 -0.10 6.23 5.15 -0.79 -4.41 115.26 116.42 1x86 n ASN 890 Ca 0.32 0.17 -0.10 0.00 -0.60 0.00 0.00 54.58 54.38 1x86 n ASN 890 Cb 1.04 -0.36 -0.04 0.00 -0.53 0.00 0.00 39.78 39.89 1x86 n ASN 890 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1x86 h GLN 891 N 0.04 -0.33 -0.25 1.20 4.15 0.84 -0.69 115.11 120.07 1x86 h GLN 891 Ca 0.00 0.02 -0.06 0.00 0.77 0.00 0.00 58.65 59.38 1x86 h GLN 891 Cb 0.42 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 1x86 h GLN 891 CO 0.00 -0.22 -0.12 -1.35 -1.93 0.00 0.00 178.83 175.21 1x86 h PRO 892 N -0.34 0.41 -0.41 -2.39 0.11 -1.77 0.00 132.00 127.61 1x86 h PRO 892 Ca 0.13 -0.11 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 1x86 h PRO 892 Cb 0.58 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 1x86 h PRO 892 CO -0.53 0.54 -0.01 0.74 -0.21 0.00 0.00 178.00 178.53 1x86 h PHE 893 N 0.38 0.70 0.24 0.65 -1.00 -1.50 -1.63 116.94 114.77 1x86 h PHE 893 Ca 0.07 -0.09 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 1x86 h PHE 893 Cb 0.45 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 39.82 1x86 h PHE 893 CO 0.01 0.67 -0.11 0.00 -1.61 0.00 0.00 178.31 177.27 1x86 h ALA 894 N 1.37 -0.33 -0.97 2.45 0.00 -0.21 -1.56 119.26 120.01 1x86 h ALA 894 Ca 0.13 -0.07 0.33 0.00 0.00 0.00 0.00 54.91 55.29 1x86 h ALA 894 Cb 0.40 0.12 -0.16 0.00 0.00 0.00 0.00 17.79 18.15 1x86 h ALA 894 CO 0.02 -0.30 0.39 -0.07 0.00 0.00 0.00 179.25 179.28 1x86 h LEU 895 N -1.04 0.16 -0.30 0.00 3.38 -1.04 0.20 115.31 116.67 1x86 h LEU 895 Ca -0.03 0.23 -0.15 0.00 0.09 0.00 0.00 57.88 58.02 1x86 h LEU 895 Cb 0.24 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1x86 h LEU 895 CO 0.05 -0.28 -0.39 -0.08 0.09 0.00 0.00 178.44 177.84 1x86 h GLU 896 N 0.13 0.79 -0.48 1.13 4.81 -1.33 -2.09 114.58 117.56 1x86 h GLU 896 Ca 0.71 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1x86 h GLU 896 Cb 1.67 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 31.06 1x86 h GLU 896 CO -0.73 1.08 0.30 1.98 -0.73 0.00 0.00 179.01 180.91 1x86 h MET 897 N 0.56 0.64 -0.08 1.92 4.05 0.32 -2.49 114.93 119.85 1x86 h MET 897 Ca 0.04 -0.05 0.04 0.00 -0.28 0.00 0.00 59.70 59.45 1x86 h MET 897 Cb 0.98 -0.14 -0.06 0.00 -0.80 0.00 0.00 31.60 31.58 1x86 h MET 897 CO 0.09 0.45 -0.29 0.82 0.23 0.00 0.00 176.91 178.21 1x86 h ILE 898 N 0.64 0.34 -0.61 1.77 2.04 -0.59 -1.21 117.51 119.89 1x86 h ILE 898 Ca 0.17 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.15 1x86 h ILE 898 Cb -0.04 0.34 -0.12 0.00 -0.74 0.00 0.00 36.82 36.27 1x86 h ILE 898 CO -0.03 0.00 -0.21 0.11 0.00 0.00 0.00 178.15 178.02 1x86 h LYS 899 N -0.39 -0.05 0.00 2.37 1.57 -1.25 -2.23 116.57 116.59 1x86 h LYS 899 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1x86 h LYS 899 Cb 0.52 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1x86 h LYS 899 CO -0.30 -0.03 0.00 0.45 -0.57 0.00 0.00 179.45 178.99 1x86 n SER 900 N -5.44 0.00 -0.08 0.86 2.88 -0.52 -1.55 113.62 109.77 1x86 n SER 900 Ca 0.07 0.10 -0.15 0.00 -1.33 0.00 0.00 58.87 57.55 1x86 n SER 900 Cb 0.34 -0.33 -0.14 0.00 -0.75 0.00 0.00 64.21 63.33 1x86 n SER 900 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1x86 n ARG 901 N -1.33 0.68 0.30 -1.46 5.12 -0.84 -3.72 116.66 115.42 1x86 n ARG 901 Ca 0.09 0.15 0.20 0.00 -1.93 0.00 0.00 57.85 56.36 1x86 n ARG 901 Cb 0.18 -1.60 0.97 0.00 -1.16 0.00 0.00 32.46 30.85 1x86 n ARG 901 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 1x86 h GLN 902 N 0.02 0.00 0.00 5.56 4.20 -0.71 0.35 115.11 124.53 1x86 h GLN 902 Ca -0.50 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 57.98 1x86 h GLN 902 Cb 2.04 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.78 1x86 h GLN 902 CO 0.00 0.00 -1.59 1.63 -0.67 0.00 0.00 178.83 178.20 1x86 n LYS 903 N -3.02 0.55 0.00 1.46 5.02 -0.97 -4.57 118.16 116.63 1x86 n LYS 903 Ca -0.01 0.34 0.08 0.00 -2.02 0.00 0.00 58.31 56.70 1x86 n LYS 903 Cb 0.17 -1.55 0.46 0.00 -0.02 0.00 0.00 35.03 34.08 1x86 n LYS 903 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x86 n LYS 904 N -4.39 0.38 -3.29 1.97 5.02 -1.14 -4.55 118.16 112.16 1x86 n LYS 904 Ca -0.33 0.07 -0.07 0.00 -2.02 0.00 0.00 58.31 55.96 1x86 n LYS 904 Cb 0.66 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.12 1x86 n LYS 904 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1x86 s ASP 905 N -2.29 0.02 0.00 4.39 -1.08 0.12 -5.01 116.67 112.84 1x86 s ASP 905 Ca 0.20 -0.14 0.26 0.00 -0.52 0.00 0.00 52.55 52.35 1x86 s ASP 905 Cb 0.11 1.28 1.53 0.00 -1.46 0.00 0.00 42.92 44.37 1x86 s ASP 905 CO 0.22 -0.33 1.91 -1.54 0.52 0.00 0.00 175.17 175.95 1x86 n SER 906 N 5.37 0.00 -0.09 -0.34 3.41 -1.26 -1.44 113.62 119.27 1x86 n SER 906 Ca 0.00 -0.93 -0.21 0.00 -0.26 0.00 0.00 58.87 57.48 1x86 n SER 906 Cb 0.50 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.33 1x86 n SER 906 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1x86 h ARG 907 N 0.00 0.03 0.00 4.33 2.43 -1.95 -3.22 114.38 116.00 1x86 h ARG 907 Ca 0.00 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.10 1x86 h ARG 907 Cb 0.00 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1x86 h ARG 907 CO 0.00 1.02 -0.14 0.35 -1.51 0.00 0.00 179.97 179.69 1x86 h PHE 908 N -0.91 0.00 0.54 2.20 3.57 -1.84 -2.05 116.94 118.45 1x86 h PHE 908 Ca -0.29 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.18 1x86 h PHE 908 Cb 1.31 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.05 1x86 h PHE 908 CO 0.13 0.14 -0.33 0.37 -2.23 0.00 0.00 178.31 176.39 1x86 h GLN 909 N 0.00 -0.78 -0.35 1.11 4.15 -1.39 -2.26 115.11 115.59 1x86 h GLN 909 Ca -0.00 0.05 -0.04 0.00 0.77 0.00 0.00 58.65 59.43 1x86 h GLN 909 Cb 0.26 0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 1x86 h GLN 909 CO 0.02 -0.52 0.05 1.15 -1.93 0.00 0.00 178.83 177.60 1x86 h THR 910 N -0.81 1.18 -0.16 2.39 2.02 -1.53 -1.14 112.91 114.86 1x86 h THR 910 Ca -0.07 -0.67 0.03 0.00 0.77 0.00 0.00 66.41 66.47 1x86 h THR 910 Cb 0.64 0.86 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1x86 h THR 910 CO 0.08 0.24 -0.05 0.15 0.37 0.00 0.00 175.52 176.30 1x86 h PHE 911 N 0.51 -0.12 -0.16 3.16 3.57 -1.38 0.17 116.94 122.69 1x86 h PHE 911 Ca 0.12 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1x86 h PHE 911 Cb 0.26 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1x86 h PHE 911 CO 0.01 -0.09 0.06 0.28 -2.23 0.00 0.00 178.31 176.34 1x86 h VAL 912 N -0.02 1.17 -0.06 1.41 2.07 -0.73 0.52 116.25 120.61 1x86 h VAL 912 Ca 0.08 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.12 1x86 h VAL 912 Cb 0.15 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 1x86 h VAL 912 CO -0.18 0.16 -0.40 1.56 0.02 0.00 0.00 177.57 178.73 1x86 h GLN 913 N 0.09 -0.50 -0.68 1.57 4.20 -1.12 -1.57 115.11 117.11 1x86 h GLN 913 Ca 0.05 0.03 0.10 0.00 0.06 0.00 0.00 58.65 58.90 1x86 h GLN 913 Cb 0.20 0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 1x86 h GLN 913 CO -0.00 -0.34 0.45 0.22 -0.67 0.00 0.00 178.83 178.49 1x86 h ASP 914 N -0.52 0.46 0.25 1.46 1.82 -0.39 -2.69 116.42 116.81 1x86 h ASP 914 Ca 0.06 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.70 1x86 h ASP 914 Cb 0.63 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.56 1x86 h ASP 914 CO -0.34 0.27 -0.12 0.00 -1.61 0.00 0.00 179.24 177.44 1x86 h ALA 915 N 1.66 -0.34 -0.23 -0.78 0.00 -0.59 -3.31 119.26 115.67 1x86 h ALA 915 Ca 0.31 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1x86 h ALA 915 Cb 0.55 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1x86 h ALA 915 CO -0.10 -0.39 0.40 0.93 0.00 0.00 0.00 179.25 180.09 1x86 h GLU 916 N -0.95 0.00 -1.69 0.00 5.08 -0.97 -1.77 114.58 114.28 1x86 h GLU 916 Ca -0.03 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.88 1x86 h GLU 916 Cb 0.48 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.56 1x86 h GLU 916 CO 0.06 0.00 0.47 -1.13 -1.00 0.00 0.00 179.01 177.41 1x86 n SER 917 N -3.35 6.63 -4.11 1.42 3.41 -1.09 -4.44 113.62 112.08 1x86 n SER 917 Ca 0.03 -3.22 -0.33 0.00 -0.26 0.00 0.00 58.87 55.10 1x86 n SER 917 Cb 0.52 -1.12 -0.16 0.00 -0.26 0.00 0.00 64.21 63.18 1x86 n SER 917 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1x86 s ASN 918 N 0.02 3.22 0.39 4.04 3.84 -0.67 -5.01 114.94 120.76 1x86 s ASN 918 Ca 0.47 -0.71 0.33 0.00 0.21 0.00 0.00 52.86 53.16 1x86 s ASN 918 Cb 0.33 -1.46 1.25 0.00 -0.55 0.00 0.00 41.25 40.82 1x86 s ASN 918 CO -0.11 -0.02 1.20 -2.65 -2.79 0.00 0.00 177.10 172.73 1x86 n PRO 919 N 4.62 -0.01 -0.07 0.43 -0.02 -1.26 0.20 135.00 138.87 1x86 n PRO 919 Ca -0.20 0.89 0.18 0.00 -2.02 0.00 0.00 63.50 62.35 1x86 n PRO 919 Cb 0.49 -1.91 0.60 0.00 -0.02 0.00 0.00 33.50 32.67 1x86 n PRO 919 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1x86 h LEU 920 N 0.00 0.18 -1.81 2.45 3.38 -1.95 0.27 115.31 117.84 1x86 h LEU 920 Ca 0.70 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.66 1x86 h LEU 920 Cb 2.58 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 43.30 1x86 h LEU 920 CO -0.16 0.10 -0.12 0.00 0.09 0.00 0.00 178.44 178.35 1x86 n ARG 922 N -4.31 -1.77 -3.50 0.00 1.74 0.95 -3.37 116.66 106.40 1x86 n ARG 922 Ca -0.03 0.81 -0.22 0.00 -0.77 0.00 0.00 57.85 57.64 1x86 n ARG 922 Cb 0.19 -5.25 0.07 0.00 -1.02 0.00 0.00 32.46 26.45 1x86 n ARG 922 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1x86 n ARG 923 N -2.75 -7.30 -5.01 5.56 1.74 -1.26 -5.01 116.66 102.62 1x86 n ARG 923 Ca -0.18 0.76 -0.31 0.00 -0.77 0.00 0.00 57.85 57.35 1x86 n ARG 923 Cb 0.64 -5.60 -0.14 0.00 -1.02 0.00 0.00 32.46 26.34 1x86 n ARG 923 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1x86 s LEU 924 N -6.77 2.32 0.70 0.55 1.43 -1.22 -5.13 118.68 110.56 1x86 s LEU 924 Ca 0.53 -0.44 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 1x86 s LEU 924 Cb -0.23 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.59 1x86 s LEU 924 CO 0.67 0.30 1.07 -1.10 0.23 0.00 0.00 176.35 177.52 1x86 s GLN 925 N -0.94 2.95 0.36 1.70 -0.21 -1.26 -4.86 119.66 117.41 1x86 s GLN 925 Ca 0.12 0.68 0.18 0.00 0.02 0.00 0.00 55.36 56.35 1x86 s GLN 925 Cb -0.10 -2.01 1.17 0.00 1.00 0.00 0.00 33.01 33.07 1x86 s GLN 925 CO 0.01 -1.02 1.65 1.25 -2.12 0.00 0.00 175.29 175.07 1x86 h LEU 926 N -0.65 0.45 -0.73 2.90 5.85 -1.97 0.75 115.31 121.92 1x86 h LEU 926 Ca -0.45 0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.39 1x86 h LEU 926 Cb 1.23 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 1x86 h LEU 926 CO 0.61 -0.17 0.20 0.07 -0.34 0.00 0.00 178.44 178.82 1x86 h LYS 927 N 0.26 1.15 0.00 1.25 2.10 -1.99 -2.30 116.57 117.04 1x86 h LYS 927 Ca 0.75 -0.26 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 1x86 h LYS 927 Cb 1.87 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 33.04 1x86 h LYS 927 CO -0.58 0.99 0.00 -0.25 -2.00 0.00 0.00 179.45 177.61 1x86 n ASP 928 N -4.25 0.00 -0.09 7.07 9.92 0.26 -3.61 116.55 125.85 1x86 n ASP 928 Ca 0.06 0.43 -0.16 0.00 -0.53 0.00 0.00 54.79 54.58 1x86 n ASP 928 Cb 0.24 -0.46 -0.07 0.00 -0.64 0.00 0.00 41.12 40.20 1x86 n ASP 928 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 1x86 n ILE 929 N -1.46 1.02 -0.25 0.53 5.41 -0.89 -4.69 119.36 119.03 1x86 n ILE 929 Ca 0.03 -0.32 0.05 0.00 1.00 0.00 0.00 62.75 63.51 1x86 n ILE 929 Cb 0.11 -1.45 0.18 0.00 -0.71 0.00 0.00 39.64 37.77 1x86 n ILE 929 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1x86 h ILE 930 N -0.35 0.59 -0.01 1.39 2.04 -1.55 -1.11 117.51 118.52 1x86 h ILE 930 Ca -0.44 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1x86 h ILE 930 Cb 1.51 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.80 1x86 h ILE 930 CO -0.18 0.06 0.67 1.55 0.00 0.00 0.00 178.15 180.25 1x86 h PRO 931 N 0.35 0.00 -0.52 2.37 0.13 -1.84 -3.20 132.00 129.29 1x86 h PRO 931 Ca 0.41 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.60 1x86 h PRO 931 Cb 0.66 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.69 1x86 h PRO 931 CO -0.45 0.00 -0.51 1.15 -0.23 0.00 0.00 178.00 177.96 1x86 h THR 932 N 0.00 0.03 -0.95 1.56 2.02 -1.50 -0.91 112.91 113.16 1x86 h THR 932 Ca 0.00 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.45 1x86 h THR 932 Cb 1.34 0.03 -0.14 0.00 -1.74 0.00 0.00 68.15 67.64 1x86 h THR 932 CO -0.00 0.00 0.45 -0.61 0.37 0.00 0.00 175.52 175.73 1x86 h GLN 933 N -0.30 0.33 0.29 6.66 5.75 -1.81 0.78 115.11 126.81 1x86 h GLN 933 Ca 0.12 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.59 1x86 h GLN 933 Cb 0.57 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.05 1x86 h GLN 933 CO -0.66 0.22 -0.14 1.98 -2.65 0.00 0.00 178.83 177.58 1x86 h MET 934 N 0.34 -0.37 -1.52 1.69 4.05 -1.62 -2.82 114.93 114.68 1x86 h MET 934 Ca 0.64 0.03 0.47 0.00 -0.28 0.00 0.00 59.70 60.56 1x86 h MET 934 Cb 1.35 0.08 -0.10 0.00 -0.80 0.00 0.00 31.60 32.14 1x86 h MET 934 CO -0.59 -0.25 1.05 1.04 0.23 0.00 0.00 176.91 178.39 1x86 n GLN 935 N -3.19 -0.01 0.08 0.39 6.02 0.23 0.03 117.38 120.93 1x86 n GLN 935 Ca -0.05 1.03 -0.04 0.00 -0.01 0.00 0.00 57.00 57.94 1x86 n GLN 935 Cb 0.15 -2.22 -0.02 0.00 1.02 0.00 0.00 30.24 29.18 1x86 n GLN 935 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1x86 h ARG 936 N 0.00 -0.26 -1.41 -1.09 9.65 -0.44 -3.26 114.38 117.57 1x86 h ARG 936 Ca 0.81 0.02 0.41 0.00 -1.10 0.00 0.00 59.98 60.12 1x86 h ARG 936 Cb 2.98 0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 31.57 1x86 h ARG 936 CO -0.20 -0.17 1.08 -0.07 2.80 0.00 0.00 179.97 183.41 1x86 h LEU 937 N -0.73 0.00 -0.58 3.80 3.38 -0.13 0.85 115.31 121.90 1x86 h LEU 937 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1x86 h LEU 937 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1x86 h LEU 937 CO 0.05 0.00 0.00 0.71 0.09 0.00 0.00 178.44 179.29 1x86 h THR 938 N 0.00 0.00 0.00 0.22 1.35 -1.44 -3.29 112.91 109.75 1x86 h THR 938 Ca 0.67 -0.55 -0.27 0.00 -0.55 0.00 0.00 66.41 65.70 1x86 h THR 938 Cb 2.81 1.49 -0.05 0.00 -1.73 0.00 0.00 68.15 70.67 1x86 h THR 938 CO -0.01 0.00 -2.10 0.29 -0.25 0.00 0.00 175.52 173.46 1x86 n LYS 939 N -2.69 0.67 -0.15 4.72 4.76 0.30 -4.42 118.16 121.34 1x86 n LYS 939 Ca 0.03 0.04 -0.06 0.00 -2.87 0.00 0.00 58.31 55.44 1x86 n LYS 939 Cb 0.37 -1.60 -0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1x86 n LYS 939 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1x86 h TYR 940 N 0.00 -0.88 -0.37 2.13 0.05 -1.62 0.33 116.97 116.62 1x86 h TYR 940 Ca -0.38 0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.48 1x86 h TYR 940 Cb 1.94 0.46 -0.02 0.00 1.01 0.00 0.00 36.73 40.11 1x86 h TYR 940 CO 0.00 -0.37 0.24 -1.35 -1.05 0.00 0.00 178.16 175.63 1x86 h PRO 941 N -0.21 0.44 -0.10 4.88 0.11 -1.78 0.16 132.00 135.50 1x86 h PRO 941 Ca 0.20 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 1x86 h PRO 941 Cb 0.54 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 1x86 h PRO 941 CO -0.59 0.29 0.03 -0.07 -0.21 0.00 0.00 178.00 177.44 1x86 h LEU 942 N 0.45 0.15 -0.26 2.35 3.38 -1.18 -0.87 115.31 119.33 1x86 h LEU 942 Ca 0.14 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1x86 h LEU 942 Cb 0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1x86 h LEU 942 CO -0.03 0.33 -0.17 -0.07 0.09 0.00 0.00 178.44 178.59 1x86 h LEU 943 N -0.04 0.60 -1.49 1.67 3.38 -0.86 -1.00 115.31 117.57 1x86 h LEU 943 Ca 0.03 -0.43 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1x86 h LEU 943 Cb 0.24 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1x86 h LEU 943 CO -0.00 0.91 -0.00 -0.07 0.09 0.00 0.00 178.44 179.36 1x86 h LEU 944 N 0.30 0.29 0.38 1.67 4.07 -0.69 0.65 115.31 121.98 1x86 h LEU 944 Ca 0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 1x86 h LEU 944 Cb 0.70 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1x86 h LEU 944 CO 0.05 0.35 -0.18 0.44 -1.08 0.00 0.00 178.44 178.02 1x86 h ASP 945 N 0.32 -0.43 -0.65 -0.43 3.32 -0.92 -2.33 116.42 115.29 1x86 h ASP 945 Ca 0.07 0.01 0.12 0.00 0.02 0.00 0.00 57.03 57.26 1x86 h ASP 945 Cb 0.22 0.11 -0.12 0.00 0.22 0.00 0.00 39.33 39.76 1x86 h ASP 945 CO 0.01 -0.30 -0.26 0.78 -1.72 0.00 0.00 179.24 177.75 1x86 h ASN 946 N -0.53 -0.92 -0.87 6.45 2.35 -0.33 1.93 115.58 123.67 1x86 h ASN 946 Ca -0.05 0.22 0.23 0.00 -0.55 0.00 0.00 56.30 56.15 1x86 h ASN 946 Cb 0.39 0.51 -0.14 0.00 0.05 0.00 0.00 38.32 39.12 1x86 h ASN 946 CO 0.09 -0.27 0.18 0.40 -1.65 0.00 0.00 177.43 176.18 1x86 h ILE 947 N -0.08 0.29 -0.04 2.81 2.04 0.21 0.15 117.51 122.88 1x86 h ILE 947 Ca 0.28 -0.06 -0.15 0.00 1.00 0.00 0.00 64.86 65.94 1x86 h ILE 947 Cb 0.54 0.10 -0.01 0.00 -0.74 0.00 0.00 36.82 36.71 1x86 h ILE 947 CO -0.71 0.03 -0.63 0.00 0.00 0.00 0.00 178.15 176.84 1x86 h ALA 948 N 1.79 0.86 -0.97 1.87 0.00 0.34 -3.28 119.26 119.87 1x86 h ALA 948 Ca 0.54 -0.57 0.15 0.00 0.00 0.00 0.00 54.91 55.03 1x86 h ALA 948 Cb 1.07 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 1x86 h ALA 948 CO -0.68 0.76 0.61 -0.22 0.00 0.00 0.00 179.25 179.72 1x86 h LYS 949 N 0.12 0.80 -0.79 0.00 3.64 0.23 -2.36 116.57 118.20 1x86 h LYS 949 Ca -0.01 -0.05 -0.51 0.00 -1.27 0.00 0.00 60.65 58.81 1x86 h LYS 949 Cb 1.14 -0.18 -0.29 0.00 -0.41 0.00 0.00 32.23 32.49 1x86 h LYS 949 CO 0.09 0.53 0.21 0.66 -2.27 0.00 0.00 179.45 178.67 1x86 n TYR 950 N -4.64 2.62 -3.63 1.91 4.01 -1.14 -4.94 117.16 111.35 1x86 n TYR 950 Ca 0.20 -2.35 -0.39 0.00 -0.16 0.00 0.00 57.90 55.20 1x86 n TYR 950 Cb 0.47 -0.89 -0.09 0.00 -0.31 0.00 0.00 39.34 38.52 1x86 n TYR 950 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1x86 s THR 951 N -4.21 3.99 0.56 -0.72 2.01 -0.89 -4.54 115.64 111.84 1x86 s THR 951 Ca 0.56 -2.32 0.30 0.00 0.31 0.00 0.00 61.69 60.54 1x86 s THR 951 Cb 0.46 -3.62 0.44 0.00 0.01 0.00 0.00 72.50 69.79 1x86 s THR 951 CO 0.02 -0.82 1.89 1.05 -0.69 0.00 0.00 174.62 176.08 1x86 h GLU 952 N 7.81 0.00 -4.92 4.92 4.11 -1.92 -3.42 114.58 121.16 1x86 h GLU 952 Ca -0.09 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.70 1x86 h GLU 952 Cb 1.02 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.10 1x86 h GLU 952 CO 0.76 0.00 -0.52 -1.58 0.07 0.00 0.00 179.01 177.74 1x86 s TRP 953 N -4.85 3.23 0.09 2.06 0.52 -1.26 -5.00 118.94 113.73 1x86 s TRP 953 Ca -0.05 0.12 -0.23 0.00 0.02 0.00 0.00 56.10 55.96 1x86 s TRP 953 Cb 0.19 -2.37 -0.14 0.00 -1.15 0.00 0.00 33.47 30.00 1x86 s TRP 953 CO 0.69 -0.14 1.73 -1.35 0.02 0.00 0.00 176.95 177.89 1x86 h PRO 954 N 8.28 -0.06 0.00 4.98 0.11 -1.98 0.98 132.00 144.31 1x86 h PRO 954 Ca -0.35 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 1x86 h PRO 954 Cb 1.19 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1x86 h PRO 954 CO 0.56 -0.04 -0.02 1.15 -0.21 0.00 0.00 178.00 179.44 1x86 h THR 955 N -0.06 0.65 0.01 -1.15 2.02 -1.97 -2.32 112.91 110.07 1x86 h THR 955 Ca 0.00 -0.06 -0.29 0.00 0.77 0.00 0.00 66.41 66.83 1x86 h THR 955 Cb 0.06 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1x86 h THR 955 CO -0.01 0.02 -1.59 1.21 0.37 0.00 0.00 175.52 175.52 1x86 n GLU 956 N -3.99 0.58 -0.29 6.66 2.13 -0.91 -4.23 120.64 120.59 1x86 n GLU 956 Ca -0.03 0.49 -0.04 0.00 0.66 0.00 0.00 57.16 58.24 1x86 n GLU 956 Cb 0.10 -1.69 0.02 0.00 0.27 0.00 0.00 31.44 30.13 1x86 n GLU 956 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1x86 h ARG 957 N -0.91 -0.09 0.00 5.31 2.43 0.13 0.44 114.38 121.70 1x86 h ARG 957 Ca -0.43 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 58.73 1x86 h ARG 957 Cb 1.43 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.00 1x86 h ARG 957 CO -0.23 -0.06 -0.08 0.93 -1.51 0.00 0.00 179.97 179.02 1x86 h GLU 958 N -0.09 0.00 -0.02 0.20 3.07 -1.66 0.17 114.58 116.25 1x86 h GLU 958 Ca 0.28 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.03 1x86 h GLU 958 Cb 0.57 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1x86 h GLU 958 CO -0.83 0.08 -0.47 0.87 -1.40 0.00 0.00 179.01 177.26 1x86 h LYS 959 N 0.00 0.05 0.09 2.33 1.57 -0.32 -1.59 116.57 118.70 1x86 h LYS 959 Ca -0.00 -0.03 -0.28 0.00 -1.87 0.00 0.00 60.65 58.47 1x86 h LYS 959 Cb 0.20 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.53 1x86 h LYS 959 CO 0.01 0.51 -1.18 0.28 -0.57 0.00 0.00 179.45 178.51 1x86 h VAL 960 N 0.04 1.32 0.00 0.50 2.07 -0.04 -1.84 116.25 118.31 1x86 h VAL 960 Ca -0.00 -2.50 -0.05 0.00 0.82 0.00 0.00 66.70 64.97 1x86 h VAL 960 Cb 0.85 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 33.25 1x86 h VAL 960 CO 0.06 0.76 -0.23 0.11 0.02 0.00 0.00 177.57 178.29 1x86 h LYS 961 N 0.26 0.00 0.51 1.57 1.57 -0.97 0.14 116.57 119.65 1x86 h LYS 961 Ca -0.16 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1x86 h LYS 961 Cb 1.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.16 1x86 h LYS 961 CO 0.22 0.23 -0.24 -0.22 -0.57 0.00 0.00 179.45 178.86 1x86 h LYS 962 N 0.00 -0.65 -1.05 3.15 3.64 -1.27 -2.91 116.57 117.48 1x86 h LYS 962 Ca -0.00 0.04 0.28 0.00 -1.27 0.00 0.00 60.65 59.70 1x86 h LYS 962 Cb 0.41 0.15 -0.11 0.00 -0.41 0.00 0.00 32.23 32.26 1x86 h LYS 962 CO 0.03 -0.44 0.65 0.00 -2.27 0.00 0.00 179.45 177.42 1x86 h ALA 963 N -1.33 2.08 -0.18 5.00 0.00 -0.81 0.40 119.26 124.43 1x86 h ALA 963 Ca -0.07 0.11 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1x86 h ALA 963 Cb 0.52 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1x86 h ALA 963 CO 0.11 -0.56 -0.21 0.00 0.00 0.00 0.00 179.25 178.59 1x86 h ALA 964 N 1.69 -0.13 -0.04 0.00 0.00 -0.76 -2.46 119.26 117.56 1x86 h ALA 964 Ca 0.65 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.49 1x86 h ALA 964 Cb 1.52 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.73 1x86 h ALA 964 CO -0.41 -0.65 -0.56 -0.44 0.00 0.00 0.00 179.25 177.18 1x86 h ASP 965 N -0.24 0.13 -0.22 0.00 3.32 -0.02 -0.77 116.42 118.62 1x86 h ASP 965 Ca 0.12 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1x86 h ASP 965 Cb 0.42 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1x86 h ASP 965 CO -0.32 0.67 0.02 0.45 -1.72 0.00 0.00 179.24 178.33 1x86 h HIS 966 N 0.09 0.48 0.00 4.55 3.86 -1.34 0.55 115.15 123.34 1x86 h HIS 966 Ca -0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1x86 h HIS 966 Cb 1.02 -0.14 0.00 0.00 1.06 0.00 0.00 27.41 29.35 1x86 h HIS 966 CO 0.01 0.47 0.00 0.00 0.86 0.00 0.00 177.93 179.27 1x86 h ARG 968 N 0.00 0.26 -0.80 0.00 3.08 -1.12 -3.08 114.38 112.72 1x86 h ARG 968 Ca 0.00 -0.44 0.08 0.00 0.07 0.00 0.00 59.98 59.69 1x86 h ARG 968 Cb 0.59 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.75 1x86 h ARG 968 CO 0.00 1.12 0.52 0.37 -1.07 0.00 0.00 179.97 180.91 1x86 h GLN 969 N 0.07 0.77 -0.17 0.04 4.15 -0.10 0.33 115.11 120.20 1x86 h GLN 969 Ca -0.34 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.03 1x86 h GLN 969 Cb 2.04 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 29.55 1x86 h GLN 969 CO 0.13 0.51 0.08 0.82 -1.93 0.00 0.00 178.83 178.44 1x86 h ILE 970 N 0.79 1.13 -0.25 2.39 2.04 -0.54 -3.12 117.51 119.96 1x86 h ILE 970 Ca 0.36 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1x86 h ILE 970 Cb 0.36 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 1x86 h ILE 970 CO -0.14 0.12 0.13 -0.07 0.00 0.00 0.00 178.15 178.20 1x86 h LEU 971 N 0.15 0.31 -1.39 1.44 3.38 -0.75 -2.05 115.31 116.40 1x86 h LEU 971 Ca 0.06 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.00 1x86 h LEU 971 Cb 0.12 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1x86 h LEU 971 CO -0.01 0.32 0.47 0.78 0.09 0.00 0.00 178.44 180.09 1x86 h ASN 972 N 0.28 0.65 -0.10 -0.43 2.35 -0.55 -0.19 115.58 117.59 1x86 h ASN 972 Ca 0.09 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1x86 h ASN 972 Cb 0.08 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.31 1x86 h ASN 972 CO -0.01 0.42 -0.10 0.15 -1.65 0.00 0.00 177.43 176.24 1x86 h PHE 973 N 0.74 0.30 0.08 1.19 3.57 -1.41 -2.23 116.94 119.18 1x86 h PHE 973 Ca 0.31 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1x86 h PHE 973 Cb 0.27 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 1x86 h PHE 973 CO -0.00 0.67 -0.12 0.28 -2.23 0.00 0.00 178.31 176.91 1x86 h VAL 974 N -0.15 0.73 -0.95 1.41 2.07 -0.96 -0.82 116.25 117.58 1x86 h VAL 974 Ca 0.02 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.82 1x86 h VAL 974 Cb 0.62 0.73 -0.15 0.00 -1.52 0.00 0.00 31.29 30.96 1x86 h VAL 974 CO 0.03 0.00 0.37 -1.13 0.02 0.00 0.00 177.57 176.86 1x86 h ASN 975 N -0.24 0.19 0.29 0.57 -1.24 -1.05 0.54 115.58 114.65 1x86 h ASN 975 Ca 0.02 0.21 -0.17 0.00 0.71 0.00 0.00 56.30 57.06 1x86 h ASN 975 Cb 0.25 0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.52 1x86 h ASN 975 CO -0.06 -0.18 -0.67 -0.61 -1.29 0.00 0.00 177.43 174.62 1x86 h GLN 976 N 0.23 0.34 -0.32 6.67 5.75 -0.81 -1.05 115.11 125.92 1x86 h GLN 976 Ca 0.65 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.87 1x86 h GLN 976 Cb 1.42 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 30.01 1x86 h GLN 976 CO -0.66 0.89 0.14 0.00 -2.65 0.00 0.00 178.83 176.55 1x86 h ALA 977 N 1.04 0.41 -0.75 3.38 0.00 0.14 -1.14 119.26 122.34 1x86 h ALA 977 Ca -0.02 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1x86 h ALA 977 Cb 1.22 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 1x86 h ALA 977 CO 0.11 -0.01 0.45 0.28 0.00 0.00 0.00 179.25 180.08 1x86 h VAL 978 N 0.37 1.02 -0.21 0.00 2.07 -0.61 -2.36 116.25 116.53 1x86 h VAL 978 Ca 0.11 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.38 1x86 h VAL 978 Cb 0.15 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 1x86 h VAL 978 CO -0.01 0.15 0.02 0.50 0.02 0.00 0.00 177.57 178.25 1x86 h LYS 979 N 0.83 0.09 -0.17 1.57 3.64 -0.67 -2.16 116.57 119.70 1x86 h LYS 979 Ca 0.33 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.55 1x86 h LYS 979 Cb 0.15 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1x86 h LYS 979 CO -0.17 0.06 -0.53 0.93 -2.27 0.00 0.00 179.45 177.47 1x86 h GLU 980 N 0.09 0.49 0.13 1.90 5.08 -0.86 -0.48 114.58 120.93 1x86 h GLU 980 Ca 0.10 -0.30 -0.28 0.00 -1.00 0.00 0.00 59.36 57.88 1x86 h GLU 980 Cb 0.11 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.40 1x86 h GLU 980 CO -0.15 0.90 -1.24 0.00 -1.00 0.00 0.00 179.01 177.53 1x86 h ALA 981 N 1.04 0.08 0.49 3.43 0.00 -1.44 -2.61 119.26 120.26 1x86 h ALA 981 Ca 0.01 -0.84 -0.02 0.00 0.00 0.00 0.00 54.91 54.06 1x86 h ALA 981 Cb 1.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1x86 h ALA 981 CO 0.10 0.87 -0.24 1.49 0.00 0.00 0.00 179.25 181.47 1x86 h GLU 982 N 0.13 -0.64 -0.92 0.00 4.81 -1.29 -2.60 114.58 114.09 1x86 h GLU 982 Ca -0.15 0.04 0.10 0.00 -0.13 0.00 0.00 59.36 59.22 1x86 h GLU 982 Cb 1.94 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 31.38 1x86 h GLU 982 CO 0.21 -0.42 0.56 -0.91 -0.73 0.00 0.00 179.01 177.72 1x86 h ASN 983 N -1.07 0.83 -0.76 1.04 4.21 -1.26 0.13 115.58 118.71 1x86 h ASN 983 Ca -0.07 0.04 0.08 0.00 1.21 0.00 0.00 56.30 57.56 1x86 h ASN 983 Cb 0.51 -0.13 -0.07 0.00 -1.12 0.00 0.00 38.32 37.51 1x86 h ASN 983 CO 0.11 0.47 0.42 0.50 -1.29 0.00 0.00 177.43 177.65 1x86 h LYS 984 N 0.93 0.71 -0.21 0.81 3.64 -1.51 -2.15 116.57 118.80 1x86 h LYS 984 Ca 0.44 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.69 1x86 h LYS 984 Cb 0.36 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1x86 h LYS 984 CO -0.24 0.47 -0.21 0.37 -2.27 0.00 0.00 179.45 177.57 1x86 h GLN 985 N 0.74 0.51 -0.96 1.90 5.75 -0.91 -3.22 115.11 118.91 1x86 h GLN 985 Ca 0.36 -0.27 0.16 0.00 -0.15 0.00 0.00 58.65 58.75 1x86 h GLN 985 Cb 0.30 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.78 1x86 h GLN 985 CO -0.23 0.85 0.61 0.00 -2.65 0.00 0.00 178.83 177.41 1x86 h ARG 986 N 0.18 0.72 0.15 1.69 3.08 -0.16 -1.50 114.38 118.54 1x86 h ARG 986 Ca 0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1x86 h ARG 986 Cb 0.76 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1x86 h ARG 986 CO 0.05 0.48 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.29 1x86 h LEU 987 N 0.74 -0.17 -1.68 3.04 3.38 -1.44 0.23 115.31 119.41 1x86 h LEU 987 Ca 0.51 -0.15 0.32 0.00 0.09 0.00 0.00 57.88 58.66 1x86 h LEU 987 Cb 0.81 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.52 1x86 h LEU 987 CO -0.28 0.05 0.79 -0.33 0.09 0.00 0.00 178.44 178.76 1x86 h GLU 988 N -0.38 0.17 0.24 1.13 5.08 -1.30 0.87 114.58 120.38 1x86 h GLU 988 Ca -0.02 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 57.99 1x86 h GLU 988 Cb 0.30 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.55 1x86 h GLU 988 CO 0.03 0.11 -1.51 0.22 -1.00 0.00 0.00 179.01 176.87 1x86 h ASP 989 N 0.17 0.78 -0.66 1.42 3.58 -1.07 -3.15 116.42 117.50 1x86 h ASP 989 Ca 0.61 -0.87 -0.03 0.00 0.42 0.00 0.00 57.03 57.15 1x86 h ASP 989 Cb 2.00 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 42.77 1x86 h ASP 989 CO -0.17 1.69 0.30 1.88 -2.88 0.00 0.00 179.24 180.06 1x86 h TYR 990 N 0.14 0.97 -0.60 0.28 -1.99 0.30 -1.70 116.97 114.36 1x86 h TYR 990 Ca -0.26 -0.06 0.12 0.00 2.00 0.00 0.00 58.73 60.54 1x86 h TYR 990 Cb 2.15 -0.30 -0.11 0.00 2.00 0.00 0.00 36.73 40.47 1x86 h TYR 990 CO 0.12 0.74 -0.06 0.37 -0.00 0.00 0.00 178.16 179.33 1x86 h GLN 991 N 0.92 0.06 -0.64 4.88 5.75 0.45 0.24 115.11 126.76 1x86 h GLN 991 Ca 0.22 -0.00 0.03 0.00 -0.15 0.00 0.00 58.65 58.75 1x86 h GLN 991 Cb 0.15 -0.01 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 1x86 h GLN 991 CO -0.02 0.04 0.40 0.00 -2.65 0.00 0.00 178.83 176.59 1x86 h ARG 992 N 0.06 0.76 0.00 1.69 3.08 -1.39 -2.75 114.38 115.83 1x86 h ARG 992 Ca 0.31 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1x86 h ARG 992 Cb 0.49 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1x86 h ARG 992 CO -0.56 0.50 0.00 0.00 -1.07 0.00 0.00 179.97 178.84 1x86 h ARG 993 N 0.78 0.00 -6.31 0.04 3.08 -0.29 -3.46 114.38 108.22 1x86 h ARG 993 Ca 0.26 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.76 1x86 h ARG 993 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1x86 h ARG 993 CO -0.11 0.00 0.95 -1.17 -1.07 0.00 0.00 179.97 178.57 1x86 s LEU 994 N -4.90 4.30 -0.51 3.04 2.96 0.70 -0.10 118.68 124.18 1x86 s LEU 994 Ca 0.08 2.13 0.03 0.00 -0.22 0.00 0.00 54.13 56.16 1x86 s LEU 994 Cb 0.10 -3.55 0.13 0.00 0.50 0.00 0.00 46.19 43.37 1x86 s LEU 994 CO 0.57 -0.82 0.25 -0.62 -1.32 0.00 0.00 176.35 174.41 1x86 s ASP 995 N 2.46 4.45 -1.27 3.68 2.15 -0.97 -4.88 116.67 122.30 1x86 s ASP 995 Ca 0.67 -2.90 -0.08 0.00 0.43 0.00 0.00 52.55 50.67 1x86 s ASP 995 Cb -0.31 -1.66 0.18 0.00 -0.30 0.00 0.00 42.92 40.82 1x86 s ASP 995 CO 0.26 -0.26 1.91 0.35 -0.17 0.00 0.00 175.17 177.26 1x86 n THR 996 N 3.28 4.57 -0.11 1.71 -2.24 -1.26 -2.98 114.28 117.24 1x86 n THR 996 Ca 0.05 -4.54 -0.16 0.00 -2.27 0.00 0.00 64.05 57.13 1x86 n THR 996 Cb 0.34 -2.29 -0.10 0.00 -2.10 0.00 0.00 70.33 66.18 1x86 n THR 996 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1x86 n SER 997 N 3.31 2.25 -1.53 3.42 2.88 -1.26 -4.14 113.62 118.54 1x86 n SER 997 Ca 0.41 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1x86 n SER 997 Cb 0.34 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 1x86 n SER 997 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x86 n SER 998 N -3.23 4.24 -4.62 -3.46 3.41 -1.26 -4.82 113.62 103.88 1x86 n SER 998 Ca -0.39 -2.12 -0.43 0.00 -0.26 0.00 0.00 58.87 55.67 1x86 n SER 998 Cb 0.90 -0.89 -0.03 0.00 -0.26 0.00 0.00 64.21 63.94 1x86 n SER 998 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1x86 s LEU 999 N 0.00 3.80 -1.08 1.04 2.96 -1.26 -4.61 118.68 119.53 1x86 s LEU 999 Ca 0.00 1.85 -0.22 0.00 -0.22 0.00 0.00 54.13 55.53 1x86 s LEU 999 Cb 0.00 -3.52 -0.00 0.00 0.50 0.00 0.00 46.19 43.17 1x86 s LEU 999 CO 0.00 -1.49 1.75 -0.54 -1.32 0.00 0.00 176.35 174.74 1x86 s LYS 1000N 5.27 3.17 0.00 1.98 1.02 -1.26 -4.80 119.74 125.12 1x86 s LYS 1000Ca 0.84 -1.09 0.00 0.00 0.02 0.00 0.00 55.97 55.74 1x86 s LYS 1000Cb -0.30 -5.29 0.00 0.00 -0.52 0.00 0.00 37.83 31.72 1x86 s LYS 1000CO 0.34 -2.90 0.00 1.28 -0.92 0.00 0.00 175.35 173.15 1x86 n LEU 1001N 11.30 0.00 0.17 3.17 4.77 -1.26 -3.22 117.00 131.93 1x86 n LEU 1001Ca 0.41 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.54 1x86 n LEU 1001Cb 0.48 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 42.31 1x86 n LEU 1001CO 0.67 0.00 1.13 0.28 -1.33 0.00 0.00 177.39 178.14 1x86 h SER 1002N 2.01 0.00 -2.70 -1.43 0.02 -2.02 -3.46 113.55 105.97 1x86 h SER 1002Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1x86 h SER 1002Cb 0.00 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.59 1x86 h SER 1002CO 0.00 0.00 -0.24 -0.62 -1.14 0.00 0.00 176.83 174.83 1x86 n GLU 1003N -4.18 -2.74 -2.90 3.45 1.02 -1.20 -5.03 120.64 109.06 1x86 n GLU 1003Ca 0.02 0.29 -0.41 0.00 -0.02 0.00 0.00 57.16 57.04 1x86 n GLU 1003Cb 0.31 -3.67 -0.04 0.00 -0.02 0.00 0.00 31.44 28.03 1x86 n GLU 1003CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1x86 s TYR 1004N -3.11 3.58 0.23 -0.32 -0.85 -1.26 -4.89 117.35 110.73 1x86 s TYR 1004Ca 0.20 1.41 0.12 0.00 -0.52 0.00 0.00 57.07 58.27 1x86 s TYR 1004Cb -0.09 -2.95 0.40 0.00 0.38 0.00 0.00 41.96 39.71 1x86 s TYR 1004CO 0.25 -0.00 0.51 -2.30 -1.52 0.00 0.00 175.55 172.49 1x86 n PRO 1005N 4.06 0.00 -0.30 -3.49 -0.02 -1.26 -0.03 135.00 133.96 1x86 n PRO 1005Ca 0.02 0.39 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 1x86 n PRO 1005Cb 0.51 -0.96 0.27 0.00 -0.02 0.00 0.00 33.50 33.30 1x86 n PRO 1005CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 1x86 h ASN 1006N 0.00 -0.17 -0.12 2.55 4.21 -2.02 -3.35 115.58 116.67 1x86 h ASN 1006Ca 0.22 0.22 0.03 0.00 1.21 0.00 0.00 56.30 57.97 1x86 h ASN 1006Cb 1.18 0.34 -0.05 0.00 -1.12 0.00 0.00 38.32 38.66 1x86 h ASN 1006CO -0.00 -0.22 -0.44 0.58 -1.29 0.00 0.00 177.43 176.06 1x86 h VAL 1007N 0.13 0.00 -0.85 2.81 2.07 -0.80 -0.24 116.25 119.38 1x86 h VAL 1007Ca 0.55 0.00 0.21 0.00 0.82 0.00 0.00 66.70 68.28 1x86 h VAL 1007Cb 1.10 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.72 1x86 h VAL 1007CO -0.73 0.00 0.06 -0.33 0.02 0.00 0.00 177.57 176.59 1x86 h GLU 1008N -0.46 0.10 0.02 1.57 5.08 -1.85 0.48 114.58 119.52 1x86 h GLU 1008Ca 0.03 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 1x86 h GLU 1008Cb 0.54 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.79 1x86 h GLU 1008CO -0.36 0.06 -0.81 0.93 -1.00 0.00 0.00 179.01 177.84 1x86 h GLU 1009N 0.10 0.51 -0.42 2.33 5.08 -1.70 -3.04 114.58 117.45 1x86 h GLU 1009Ca 0.50 -0.58 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1x86 h GLU 1009Cb 0.95 0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 1x86 h GLU 1009CO -0.74 1.21 0.19 -0.07 -1.00 0.00 0.00 179.01 178.59 1x86 h LEU 1010N 0.07 0.52 0.21 1.33 3.38 0.81 -2.06 115.31 119.57 1x86 h LEU 1010Ca -0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1x86 h LEU 1010Cb 1.51 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1x86 h LEU 1010CO 0.16 0.45 -0.10 0.03 0.09 0.00 0.00 178.44 179.07 1x86 h ARG 1011N 0.58 -0.28 -1.05 1.13 3.08 -0.20 -3.23 114.38 114.42 1x86 h ARG 1011Ca 0.15 0.02 -0.56 0.00 0.07 0.00 0.00 59.98 59.66 1x86 h ARG 1011Cb 0.08 0.06 -0.27 0.00 0.08 0.00 0.00 29.97 29.92 1x86 h ARG 1011CO -0.02 -0.01 0.71 0.09 -1.07 0.00 0.00 179.97 179.68 1x86 n ASN 1012N -5.11 5.83 -4.59 7.04 3.02 -1.14 -4.89 115.26 115.42 1x86 n ASN 1012Ca -0.09 -3.58 -0.42 0.00 -0.03 0.00 0.00 54.58 50.46 1x86 n ASN 1012Cb 0.22 -0.91 -0.03 0.00 -0.61 0.00 0.00 39.78 38.44 1x86 n ASN 1012CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1x86 s LEU 1013N -3.28 3.45 -0.46 3.41 2.96 -0.79 -4.95 118.68 119.02 1x86 s LEU 1013Ca 0.56 1.29 -0.16 0.00 -0.22 0.00 0.00 54.13 55.60 1x86 s LEU 1013Cb 0.45 -3.26 0.06 0.00 0.50 0.00 0.00 46.19 43.94 1x86 s LEU 1013CO 0.04 -1.99 0.39 -0.62 -1.32 0.00 0.00 176.35 172.84 1x86 s ASP 1014N 7.59 6.15 0.23 3.68 -1.08 -1.26 -4.92 116.67 127.05 1x86 s ASP 1014Ca 0.85 -1.23 0.00 0.00 -0.52 0.00 0.00 52.55 51.66 1x86 s ASP 1014Cb -0.23 -2.19 0.25 0.00 -1.46 0.00 0.00 42.92 39.30 1x86 s ASP 1014CO 0.31 -0.62 1.60 -0.07 0.52 0.00 0.00 175.17 176.91 1x86 h LEU 1015N 8.78 0.52 -1.76 -1.34 3.38 -1.94 -3.22 115.31 119.73 1x86 h LEU 1015Ca -0.28 -0.24 0.10 0.00 0.09 0.00 0.00 57.88 57.56 1x86 h LEU 1015Cb 1.11 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 1x86 h LEU 1015CO 0.86 0.88 0.54 0.74 0.09 0.00 0.00 178.44 181.55 1x86 h THR 1016N 0.40 0.21 0.00 0.22 2.02 -1.91 -2.16 112.91 111.69 1x86 h THR 1016Ca 0.03 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 1x86 h THR 1016Cb 0.91 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1x86 h THR 1016CO 0.08 0.00 -0.27 0.11 0.37 0.00 0.00 175.52 175.81 1x86 h LYS 1017N 0.00 0.00 -6.28 6.66 1.57 -2.00 -3.44 116.57 113.08 1x86 h LYS 1017Ca 0.17 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.49 1x86 h LYS 1017Cb 1.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 1x86 h LYS 1017CO -0.00 0.27 -0.36 1.03 -0.57 0.00 0.00 179.45 179.82 1x86 s ARG 1018N -4.00 2.82 0.34 3.15 0.52 -0.81 -5.12 118.95 115.85 1x86 s ARG 1018Ca -0.02 -1.25 -0.17 0.00 -0.52 0.00 0.00 55.73 53.77 1x86 s ARG 1018Cb 0.13 -2.62 -0.09 0.00 0.52 0.00 0.00 34.95 32.89 1x86 s ARG 1018CO 0.66 -0.06 0.80 0.15 0.02 0.00 0.00 175.30 176.87 1x86 s LYS 1019N -4.15 4.10 -0.12 3.54 1.02 -1.26 -4.96 119.74 117.91 1x86 s LYS 1019Ca 0.47 0.83 -0.03 0.00 0.02 0.00 0.00 55.97 57.25 1x86 s LYS 1019Cb -0.07 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.79 1x86 s LYS 1019CO 0.30 0.13 0.01 1.41 -0.92 0.00 0.00 175.35 176.28 1x86 s MET 1020N -2.92 3.33 -0.19 1.68 -2.45 -1.26 -1.16 119.30 116.33 1x86 s MET 1020Ca 0.55 -0.40 -0.02 0.00 -1.25 0.00 0.00 55.69 54.57 1x86 s MET 1020Cb -0.11 -2.92 -0.11 0.00 1.25 0.00 0.00 34.83 32.95 1x86 s MET 1020CO 0.17 0.53 -0.19 -0.89 1.05 0.00 0.00 175.02 175.69 1x86 n ILE 1021N 2.67 1.06 -4.17 10.11 2.08 -0.64 -4.94 119.36 125.54 1x86 n ILE 1021Ca -0.18 -0.36 -0.14 0.00 0.56 0.00 0.00 62.75 62.63 1x86 n ILE 1021Cb 0.53 -1.34 -0.08 0.00 -0.75 0.00 0.00 39.64 38.00 1x86 n ILE 1021CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1x86 s HIS 1022N -2.36 1.15 0.19 1.39 2.46 -0.93 -5.04 115.29 112.15 1x86 s HIS 1022Ca -0.26 -1.33 -0.23 0.00 0.47 0.00 0.00 55.06 53.71 1x86 s HIS 1022Cb 0.08 -0.41 0.05 0.00 -0.13 0.00 0.00 32.58 32.17 1x86 s HIS 1022CO 0.40 -0.81 0.76 -1.83 -2.47 0.00 0.00 174.74 170.78 1x86 s GLU 1023N -3.83 1.42 0.00 2.88 -1.05 -1.26 -1.88 118.70 114.98 1x86 s GLU 1023Ca 0.36 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 54.47 1x86 s GLU 1023Cb 0.04 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.26 1x86 s GLU 1023CO 0.16 -0.64 0.00 0.41 0.95 0.00 0.00 175.26 176.14 1x86 n GLY 1024N -0.42 3.00 3.61 -3.83 0.00 0.67 -4.98 105.19 103.24 1x86 n GLY 1024Ca -0.08 -1.39 -0.54 0.00 0.00 0.00 0.00 46.02 44.00 1x86 n GLY 1024CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1x86 n PRO 1025N -1.56 0.99 -3.84 1.61 -0.02 -1.26 -1.52 135.00 129.41 1x86 n PRO 1025Ca 0.00 0.36 -0.12 0.00 -2.02 0.00 0.00 63.50 61.72 1x86 n PRO 1025Cb 0.00 -1.99 -0.14 0.00 -0.02 0.00 0.00 33.50 31.35 1x86 n PRO 1025CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1x86 s LEU 1026N 1.12 1.66 -0.10 2.45 1.43 0.20 -4.64 118.68 120.79 1x86 s LEU 1026Ca 0.89 0.13 -0.19 0.00 -1.03 0.00 0.00 54.13 53.92 1x86 s LEU 1026Cb -1.03 0.20 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1x86 s LEU 1026CO 0.53 -0.04 0.51 -0.69 0.23 0.00 0.00 176.35 176.89 1x86 s VAL 1027N 0.17 5.14 -0.41 -1.59 1.01 0.15 -0.35 120.40 124.52 1x86 s VAL 1027Ca -0.01 1.04 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 1x86 s VAL 1027Cb -0.02 -3.85 0.11 0.00 0.00 0.00 0.00 36.38 32.62 1x86 s VAL 1027CO -0.00 0.33 0.18 0.86 0.00 0.00 0.00 175.10 176.47 1x86 s TRP 1028N 0.52 3.61 -1.11 5.22 -0.00 0.13 -0.60 118.94 126.70 1x86 s TRP 1028Ca 0.28 -2.58 -0.22 0.00 -0.00 0.00 0.00 56.10 53.57 1x86 s TRP 1028Cb -0.16 -3.15 -0.02 0.00 -0.00 0.00 0.00 33.47 30.14 1x86 s TRP 1028CO 0.12 -0.96 1.82 0.15 -0.00 0.00 0.00 176.95 178.08 1x86 s LYS 1029N 0.99 3.00 0.39 5.86 1.02 -1.22 -0.96 119.74 128.83 1x86 s LYS 1029Ca 0.10 -1.11 0.07 0.00 0.02 0.00 0.00 55.97 55.05 1x86 s LYS 1029Cb -0.22 -5.28 0.80 0.00 -0.52 0.00 0.00 37.83 32.61 1x86 s LYS 1029CO -0.05 -3.18 1.99 -0.24 -0.92 0.00 0.00 175.35 172.95 1x86 h VAL 1030N 6.43 1.13 -3.96 3.17 3.04 -1.86 -3.40 116.25 120.80 1x86 h VAL 1030Ca 0.23 -0.43 -0.16 0.00 -1.01 0.00 0.00 66.70 65.33 1x86 h VAL 1030Cb 0.95 0.75 -0.20 0.00 -2.01 0.00 0.00 31.29 30.78 1x86 h VAL 1030CO 1.30 0.16 -0.68 0.21 -1.01 0.00 0.00 177.57 177.56 1x86 s ASN 1031N -6.75 0.24 0.00 3.17 3.84 -1.25 -5.01 114.94 109.19 1x86 s ASN 1031Ca -0.08 -0.52 0.06 0.00 0.21 0.00 0.00 52.86 52.54 1x86 s ASN 1031Cb 0.17 0.12 0.38 0.00 -0.55 0.00 0.00 41.25 41.36 1x86 s ASN 1031CO 0.74 -0.33 1.09 -1.14 -2.79 0.00 0.00 177.10 174.67 1x86 n ARG 1032N 1.46 0.83 0.00 0.43 0.63 -1.26 -3.60 116.66 115.15 1x86 n ARG 1032Ca -0.23 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.70 1x86 n ARG 1032Cb 0.56 -1.12 0.00 0.00 0.45 0.00 0.00 32.46 32.35 1x86 n ARG 1032CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1x86 n ASP 1033N -0.62 0.00 -4.58 6.15 9.92 -1.26 -4.97 116.55 121.20 1x86 n ASP 1033Ca 0.05 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.00 1x86 n ASP 1033Cb 0.02 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.45 1x86 n ASP 1033CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1x86 s LYS 1034N 0.00 2.73 0.86 -1.24 1.02 -1.24 -4.98 119.74 116.90 1x86 s LYS 1034Ca 0.00 -1.27 -0.11 0.00 0.02 0.00 0.00 55.97 54.61 1x86 s LYS 1034Cb 0.00 -5.29 0.11 0.00 -0.52 0.00 0.00 37.83 32.13 1x86 s LYS 1034CO 0.00 -3.70 1.09 0.95 -0.92 0.00 0.00 175.35 172.77 1x86 s THR 1035N 9.94 2.85 -0.02 2.17 -4.23 -1.25 -3.76 115.64 121.34 1x86 s THR 1035Ca 0.66 0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 61.43 1x86 s THR 1035Cb -0.00 -2.71 0.01 0.00 1.34 0.00 0.00 72.50 71.13 1x86 s THR 1035CO 0.12 -0.36 0.05 -0.63 -0.54 0.00 0.00 174.62 173.26 1x86 s ILE 1036N -2.88 -0.00 -0.50 2.99 1.01 -0.13 -4.92 121.20 116.77 1x86 s ILE 1036Ca 0.63 0.01 -0.22 0.00 0.00 0.00 0.00 60.65 61.06 1x86 s ILE 1036Cb -0.18 -0.08 0.04 0.00 0.01 0.00 0.00 42.46 42.24 1x86 s ILE 1036CO 0.57 0.00 0.80 -1.81 0.00 0.00 0.00 174.94 174.50 1x86 s ASP 1037N 0.07 6.34 -0.05 3.58 1.11 -1.26 0.17 116.67 126.63 1x86 s ASP 1037Ca -0.00 -0.38 -0.03 0.00 0.18 0.00 0.00 52.55 52.32 1x86 s ASP 1037Cb -0.01 -2.38 -0.04 0.00 1.07 0.00 0.00 42.92 41.57 1x86 s ASP 1037CO -0.00 -1.01 0.09 -0.76 1.18 0.00 0.00 175.17 174.66 1x86 s LEU 1038N 3.36 3.99 -0.29 1.23 1.43 0.52 -4.39 118.68 124.52 1x86 s LEU 1038Ca 0.26 0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.52 1x86 s LEU 1038Cb -0.14 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.92 1x86 s LEU 1038CO 0.19 0.33 0.13 -0.47 0.23 0.00 0.00 176.35 176.76 1x86 s TYR 1039N -1.09 3.16 -0.18 0.29 6.14 0.25 -0.63 117.35 125.30 1x86 s TYR 1039Ca 0.19 -0.49 -0.02 0.00 0.64 0.00 0.00 57.07 57.39 1x86 s TYR 1039Cb -0.12 -2.33 -0.01 0.00 0.42 0.00 0.00 41.96 39.93 1x86 s TYR 1039CO 0.09 -0.41 -0.10 0.99 0.64 0.00 0.00 175.55 176.76 1x86 s THR 1040N 1.62 3.08 -0.13 4.34 2.01 -0.58 -2.28 115.64 123.71 1x86 s THR 1040Ca 0.05 -0.62 -0.05 0.00 0.31 0.00 0.00 61.69 61.38 1x86 s THR 1040Cb -0.17 -2.35 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 1x86 s THR 1040CO 0.06 0.48 0.06 -0.76 -0.69 0.00 0.00 174.62 173.77 1x86 s LEU 1041N 0.98 3.87 -0.57 4.42 1.43 -0.64 -0.24 118.68 127.93 1x86 s LEU 1041Ca -0.01 0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 1x86 s LEU 1041Cb -0.15 -1.94 0.15 0.00 0.03 0.00 0.00 46.19 44.28 1x86 s LEU 1041CO -0.01 0.31 0.41 -0.22 0.23 0.00 0.00 176.35 177.07 1x86 s LEU 1042N -0.42 5.53 0.00 1.79 2.96 -0.79 -1.43 118.68 126.32 1x86 s LEU 1042Ca 0.09 -2.45 -0.00 0.00 -0.22 0.00 0.00 54.13 51.55 1x86 s LEU 1042Cb -0.12 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.65 1x86 s LEU 1042CO 0.02 -0.50 0.03 0.18 -1.32 0.00 0.00 176.35 174.75 1x86 n LEU 1043N 4.10 0.00 -0.13 -0.68 4.77 -0.61 -1.62 117.00 122.83 1x86 n LEU 1043Ca 0.03 -0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 1x86 n LEU 1043Cb 0.40 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1x86 n LEU 1043CO 0.36 -0.52 0.90 -0.33 -1.33 0.00 0.00 177.39 176.47 1x86 h GLU 1044N 0.00 0.59 0.00 3.23 5.08 -1.50 -3.36 114.58 118.62 1x86 h GLU 1044Ca -0.01 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1x86 h GLU 1044Cb 0.02 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1x86 h GLU 1044CO 0.01 0.58 0.00 -0.40 -1.00 0.00 0.00 179.01 178.19 1x86 n ASP 1045N -4.64 1.26 -4.14 1.42 3.85 -1.26 -4.89 116.55 108.15 1x86 n ASP 1045Ca -0.00 -1.48 -0.20 0.00 -0.71 0.00 0.00 54.79 52.40 1x86 n ASP 1045Cb 0.16 0.00 -0.09 0.00 -1.35 0.00 0.00 41.12 39.83 1x86 n ASP 1045CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.20 176.46 1x86 s ILE 1046N -0.48 0.52 -0.42 2.12 -4.36 -1.26 -1.94 121.20 115.37 1x86 s ILE 1046Ca 0.00 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.41 1x86 s ILE 1046Cb 0.00 -2.55 0.14 0.00 1.25 0.00 0.00 42.46 41.30 1x86 s ILE 1046CO 0.00 0.00 0.23 -0.22 0.24 0.00 0.00 174.94 175.19 1x86 s LEU 1047N -3.41 2.34 -0.15 0.37 2.96 -0.62 -1.57 118.68 118.61 1x86 s LEU 1047Ca 0.35 -2.53 -0.29 0.00 -0.22 0.00 0.00 54.13 51.43 1x86 s LEU 1047Cb 0.06 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.82 1x86 s LEU 1047CO 0.16 -0.28 1.23 -0.69 -1.32 0.00 0.00 176.35 175.45 1x86 s VAL 1048N 0.51 4.31 -0.24 1.68 1.01 -0.52 -2.53 120.40 124.62 1x86 s VAL 1048Ca 0.18 1.60 -0.11 0.00 0.00 0.00 0.00 61.98 63.65 1x86 s VAL 1048Cb -0.24 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 1x86 s VAL 1048CO 0.01 -0.11 0.18 -0.76 0.00 0.00 0.00 175.10 174.41 1x86 s LEU 1049N 3.18 4.11 -0.07 3.92 1.43 0.15 -1.62 118.68 129.76 1x86 s LEU 1049Ca 0.54 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 1x86 s LEU 1049Cb -0.22 -2.13 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1x86 s LEU 1049CO 0.16 0.04 -0.14 -0.76 0.23 0.00 0.00 176.35 175.88 1x86 s LEU 1050N 1.16 1.73 -0.13 1.79 1.43 -0.96 -4.76 118.68 118.93 1x86 s LEU 1050Ca 0.08 -0.35 -0.23 0.00 -1.03 0.00 0.00 54.13 52.60 1x86 s LEU 1050Cb -0.14 -0.93 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1x86 s LEU 1050CO 0.05 0.06 0.70 -1.10 0.23 0.00 0.00 176.35 176.29 1x86 s GLN 1051N 0.61 4.34 -0.51 1.70 -0.21 -0.11 -0.58 119.66 124.90 1x86 s GLN 1051Ca -0.15 0.82 -0.16 0.00 0.02 0.00 0.00 55.36 55.88 1x86 s GLN 1051Cb -0.16 -3.51 0.09 0.00 1.00 0.00 0.00 33.01 30.43 1x86 s GLN 1051CO 0.05 -0.11 0.48 0.21 -2.12 0.00 0.00 175.29 173.79 1x86 s LYS 1052N 1.42 3.00 0.42 2.91 2.20 -1.26 0.18 119.74 128.62 1x86 s LYS 1052Ca 0.35 -1.44 0.07 0.00 -0.36 0.00 0.00 55.97 54.59 1x86 s LYS 1052Cb -0.17 -4.20 -0.03 0.00 -1.51 0.00 0.00 37.83 31.92 1x86 s LYS 1052CO 0.14 -1.19 0.28 -0.65 -0.36 0.00 0.00 175.35 173.57 1x86 s GLN 1053N 1.80 2.36 0.00 4.03 -0.21 -0.61 -4.97 119.66 122.06 1x86 s GLN 1053Ca 0.05 -1.72 0.00 0.00 0.02 0.00 0.00 55.36 53.71 1x86 s GLN 1053Cb -0.26 -2.16 0.00 0.00 1.00 0.00 0.00 33.01 31.59 1x86 s GLN 1053CO 0.06 -0.19 0.00 -0.25 -2.12 0.00 0.00 175.29 172.79 1x86 n ASP 1054N -1.41 0.00 -0.12 5.90 8.00 -1.26 -2.31 116.55 125.35 1x86 n ASP 1054Ca 0.01 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.26 1x86 n ASP 1054Cb 0.63 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.63 1x86 n ASP 1054CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1x86 n ASP 1055N 0.00 1.91 -4.73 -2.24 8.00 -1.26 -5.03 116.55 113.19 1x86 n ASP 1055Ca 0.00 0.39 -0.34 0.00 0.71 0.00 0.00 54.79 55.55 1x86 n ASP 1055Cb 0.00 -0.89 0.08 0.00 -0.02 0.00 0.00 41.12 40.30 1x86 n ASP 1055CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1x86 s ARG 1056N -2.45 2.25 -0.55 -1.24 0.52 -0.98 -4.96 118.95 111.55 1x86 s ARG 1056Ca -0.33 1.66 -0.04 0.00 -0.52 0.00 0.00 55.73 56.50 1x86 s ARG 1056Cb 0.10 -1.86 0.14 0.00 0.52 0.00 0.00 34.95 33.86 1x86 s ARG 1056CO 0.53 -1.73 0.38 -0.51 0.02 0.00 0.00 175.30 173.99 1x86 s LEU 1057N -5.14 5.37 0.55 2.53 1.43 0.86 -1.57 118.68 122.71 1x86 s LEU 1057Ca 0.72 -2.50 -0.19 0.00 -1.03 0.00 0.00 54.13 51.13 1x86 s LEU 1057Cb -0.27 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 1x86 s LEU 1057CO 0.45 -0.47 1.11 -0.69 0.23 0.00 0.00 176.35 176.98 1x86 s VAL 1058N 0.46 3.32 -0.20 -1.59 1.01 0.49 -2.29 120.40 121.60 1x86 s VAL 1058Ca 0.13 0.78 0.01 0.00 0.00 0.00 0.00 61.98 62.90 1x86 s VAL 1058Cb -0.21 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 32.91 1x86 s VAL 1058CO -0.04 -0.22 -0.12 -0.22 0.00 0.00 0.00 175.10 174.51 1x86 s LEU 1059N -3.94 2.37 0.07 3.92 2.96 -1.16 -0.93 118.68 121.96 1x86 s LEU 1059Ca 0.70 -0.90 -0.07 0.00 -0.22 0.00 0.00 54.13 53.64 1x86 s LEU 1059Cb -0.22 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 1x86 s LEU 1059CO 0.28 -0.13 0.14 -0.60 -1.32 0.00 0.00 176.35 174.73 1x86 s ARG 1060N 1.36 0.76 0.17 1.98 3.52 -1.26 -4.46 118.95 121.02 1x86 s ARG 1060Ca -0.01 -0.95 0.06 0.00 -0.13 0.00 0.00 55.73 54.70 1x86 s ARG 1060Cb -0.16 0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.49 1x86 s ARG 1060CO -0.08 -0.22 0.06 0.00 -0.81 0.00 0.00 175.30 174.25 1x86 s HIS 1062N -1.76 0.09 -0.23 0.00 0.09 -1.25 -4.92 115.29 107.32 1x86 s HIS 1062Ca 0.29 -0.20 -0.29 0.00 -0.00 0.00 0.00 55.06 54.86 1x86 s HIS 1062Cb -0.10 -0.08 0.00 0.00 -0.00 0.00 0.00 32.58 32.40 1x86 s HIS 1062CO 0.21 -0.21 1.17 -1.54 -0.00 0.00 0.00 174.74 174.36 1x86 s SER 1063N -1.15 6.96 -0.01 1.40 1.04 -1.26 -1.31 113.70 119.37 1x86 s SER 1063Ca -0.13 1.43 -0.07 0.00 0.48 0.00 0.00 55.95 57.66 1x86 s SER 1063Cb -0.07 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 1x86 s SER 1063CO 0.00 -0.79 0.26 -0.89 0.98 0.00 0.00 173.24 172.80 1x86 s THR 1075N 3.54 5.31 -0.19 2.02 2.01 -1.26 -5.11 115.64 121.97 1x86 s THR 1075Ca 0.50 0.20 -0.02 0.00 0.31 0.00 0.00 61.69 62.68 1x86 s THR 1075Cb -0.17 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 1x86 s THR 1075CO 0.13 0.40 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.01 1x86 s PHE 1076N -1.26 2.90 0.64 4.92 2.99 -0.43 -5.11 117.98 122.62 1x86 s PHE 1076Ca 0.26 -0.90 -0.17 0.00 0.00 0.00 0.00 56.93 56.12 1x86 s PHE 1076Cb -0.13 -2.00 -0.01 0.00 0.00 0.00 0.00 43.02 40.87 1x86 s PHE 1076CO 0.15 -0.46 1.18 0.45 -0.00 0.00 0.00 175.22 176.54 1x86 s SER 1077N 1.08 4.98 0.20 1.36 0.15 -1.26 -3.80 113.70 116.40 1x86 s SER 1077Ca 0.01 2.27 0.20 0.00 0.70 0.00 0.00 55.95 59.13 1x86 s SER 1077Cb -0.15 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1x86 s SER 1077CO -0.02 -1.73 1.07 1.55 1.20 0.00 0.00 173.24 175.32 1x86 h PRO 1078N 0.44 0.00 -6.13 5.44 0.13 -1.86 -3.46 132.00 126.56 1x86 h PRO 1078Ca -0.49 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.08 1x86 h PRO 1078Cb 1.28 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1x86 h PRO 1078CO 0.54 0.12 0.07 0.08 -0.23 0.00 0.00 178.00 178.57 1x86 s VAL 1079N -3.19 4.89 -0.33 1.56 1.01 -1.26 0.32 120.40 123.39 1x86 s VAL 1079Ca -0.00 1.42 0.04 0.00 0.00 0.00 0.00 61.98 63.43 1x86 s VAL 1079Cb 0.09 -4.02 0.10 0.00 0.00 0.00 0.00 36.38 32.55 1x86 s VAL 1079CO 0.78 0.36 0.04 -0.63 0.00 0.00 0.00 175.10 175.64 1x86 s ILE 1080N 0.11 2.22 0.29 2.22 1.01 -1.05 -4.96 121.20 121.06 1x86 s ILE 1080Ca 0.35 -2.25 -0.30 0.00 0.00 0.00 0.00 60.65 58.45 1x86 s ILE 1080Cb -0.19 -2.62 -0.13 0.00 0.01 0.00 0.00 42.46 39.54 1x86 s ILE 1080CO 0.19 -0.55 1.41 0.29 0.00 0.00 0.00 174.94 176.28 1x86 n LYS 1081N 4.29 2.23 0.01 2.79 5.02 -1.26 -1.59 118.16 129.65 1x86 n LYS 1081Ca 0.02 0.79 0.13 0.00 -2.02 0.00 0.00 58.31 57.23 1x86 n LYS 1081Cb 0.42 -2.45 0.48 0.00 -0.02 0.00 0.00 35.03 33.46 1x86 n LYS 1081CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1x86 n LEU 1082N 1.55 0.24 -0.01 -0.35 4.77 -0.82 -3.58 117.00 118.80 1x86 n LEU 1082Ca 0.08 0.35 0.09 0.00 -0.03 0.00 0.00 56.01 56.50 1x86 n LEU 1082Cb 0.35 -0.40 0.49 0.00 -2.33 0.00 0.00 43.42 41.52 1x86 n LEU 1082CO 0.63 0.02 1.17 0.77 -1.33 0.00 0.00 177.39 178.64 1x86 h SER 1083N 0.00 0.36 -0.03 -1.43 4.64 -1.89 -3.19 113.55 112.01 1x86 h SER 1083Ca 0.00 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 1x86 h SER 1083Cb 0.53 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.49 1x86 h SER 1083CO 0.00 0.24 -0.57 0.35 -0.87 0.00 0.00 176.83 175.98 1x86 n THR 1084N -4.48 2.01 -2.86 2.95 -2.24 -1.23 -4.76 114.28 103.67 1x86 n THR 1084Ca 0.06 -3.07 -0.31 0.00 -2.27 0.00 0.00 64.05 58.46 1x86 n THR 1084Cb 0.22 -0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 1x86 n THR 1084CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1x86 s VAL 1085N -2.98 4.72 0.10 2.28 1.01 -1.20 -1.91 120.40 122.41 1x86 s VAL 1085Ca 0.38 0.79 0.03 0.00 0.00 0.00 0.00 61.98 63.19 1x86 s VAL 1085Cb 0.37 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1x86 s VAL 1085CO -0.08 -0.46 -0.09 -0.76 0.00 0.00 0.00 175.10 173.71 1x86 s LEU 1086N -3.67 2.44 -0.12 3.92 1.43 0.18 -4.98 118.68 117.88 1x86 s LEU 1086Ca 0.53 -0.87 -0.00 0.00 -1.03 0.00 0.00 54.13 52.76 1x86 s LEU 1086Cb -0.10 -0.26 0.02 0.00 0.03 0.00 0.00 46.19 45.89 1x86 s LEU 1086CO 0.28 -0.31 -0.09 -0.69 0.23 0.00 0.00 176.35 175.76 1x86 s VAL 1087N -2.75 1.17 0.13 -1.59 1.01 -1.26 -0.03 120.40 117.08 1x86 s VAL 1087Ca 0.08 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.69 1x86 s VAL 1087Cb -0.01 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1x86 s VAL 1087CO -0.01 0.39 0.26 -0.60 0.00 0.00 0.00 175.10 175.14 1x86 s ARG 1088N 1.65 3.41 -0.29 2.72 6.06 -1.02 -5.02 118.95 126.46 1x86 s ARG 1088Ca 0.05 -0.58 -0.12 0.00 -2.50 0.00 0.00 55.73 52.58 1x86 s ARG 1088Cb -0.13 -2.96 -0.04 0.00 0.06 0.00 0.00 34.95 31.88 1x86 s ARG 1088CO -0.09 0.54 0.24 -1.14 -2.50 0.00 0.00 175.30 172.35 1x86 s GLN 1089N -3.06 3.87 -0.60 5.12 0.74 -1.26 -2.94 119.66 121.54 1x86 s GLN 1089Ca 0.34 -0.32 -0.26 0.00 0.05 0.00 0.00 55.36 55.18 1x86 s GLN 1089Cb -0.11 -3.69 -0.05 0.00 1.10 0.00 0.00 33.01 30.25 1x86 s GLN 1089CO 0.28 -0.25 2.16 0.08 -0.55 0.00 0.00 175.29 177.00 1x86 s VAL 1090N 1.82 3.18 0.46 1.34 1.01 -1.21 -4.83 120.40 122.16 1x86 s VAL 1090Ca 0.08 0.05 0.29 0.00 0.00 0.00 0.00 61.98 62.41 1x86 s VAL 1090Cb -0.16 -3.46 0.49 0.00 0.00 0.00 0.00 36.38 33.25 1x86 s VAL 1090CO 0.11 -0.45 1.71 0.00 0.00 0.00 0.00 175.10 176.47 1x86 h ALA 1091N 16.56 2.76 -0.00 5.51 0.00 -1.95 0.10 119.26 142.24 1x86 h ALA 1091Ca -0.20 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1x86 h ALA 1091Cb 1.18 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1x86 h ALA 1091CO 1.18 -1.24 -0.27 2.41 0.00 0.00 0.00 179.25 181.33 1x86 n THR 1092N -4.49 0.00 -3.81 0.00 -1.04 -1.26 -4.87 114.28 98.82 1x86 n THR 1092Ca 0.31 -0.05 -0.29 0.00 -2.04 0.00 0.00 64.05 61.98 1x86 n THR 1092Cb 1.26 0.10 -0.16 0.00 -1.82 0.00 0.00 70.33 69.71 1x86 n THR 1092CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1x86 s ASP 1093N -2.73 3.69 0.24 8.00 1.01 0.35 -5.00 116.67 122.24 1x86 s ASP 1093Ca 0.20 -1.30 -0.09 0.00 0.71 0.00 0.00 52.55 52.07 1x86 s ASP 1093Cb 0.19 -0.92 0.37 0.00 1.01 0.00 0.00 42.92 43.57 1x86 s ASP 1093CO 0.57 -0.33 1.41 0.59 0.21 0.00 0.00 175.17 177.62 1x86 n ASN 1094N 4.82 -0.38 0.02 0.27 3.02 -1.26 -2.78 115.26 118.97 1x86 n ASN 1094Ca -0.07 1.56 0.11 0.00 -0.03 0.00 0.00 54.58 56.15 1x86 n ASN 1094Cb 0.44 -0.45 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 1x86 n ASN 1094CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x86 n LYS 1095N -5.44 0.22 -4.09 3.52 5.02 -1.26 -4.74 118.16 111.39 1x86 n LYS 1095Ca 0.13 -0.01 -0.31 0.00 -2.02 0.00 0.00 58.31 56.10 1x86 n LYS 1095Cb 0.43 -1.57 -0.07 0.00 -0.02 0.00 0.00 35.03 33.80 1x86 n LYS 1095CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x86 s ALA 1096N -3.15 3.53 -0.05 7.82 0.00 -1.12 -1.21 121.76 127.58 1x86 s ALA 1096Ca 0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 1x86 s ALA 1096Cb 0.15 -1.45 0.03 0.00 0.00 0.00 0.00 23.12 21.84 1x86 s ALA 1096CO 0.80 0.72 0.04 -0.51 0.00 0.00 0.00 175.76 176.80 1x86 s LEU 1097N -2.11 0.38 -0.04 0.00 1.43 0.16 -3.30 118.68 115.20 1x86 s LEU 1097Ca 0.26 0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 53.08 1x86 s LEU 1097Cb -0.12 -0.25 -0.05 0.00 0.03 0.00 0.00 46.19 45.81 1x86 s LEU 1097CO 0.18 -0.22 1.40 -0.36 0.23 0.00 0.00 176.35 177.59 1x86 s PHE 1098N 2.00 2.74 -0.92 0.29 0.08 -1.15 -0.28 117.98 120.74 1x86 s PHE 1098Ca 0.04 0.78 -0.02 0.00 0.12 0.00 0.00 56.93 57.85 1x86 s PHE 1098Cb -0.12 -3.66 0.25 0.00 -0.57 0.00 0.00 43.02 38.91 1x86 s PHE 1098CO -0.04 -2.46 0.93 0.28 -0.10 0.00 0.00 175.22 173.83 1x86 n VAL 1099N 4.89 3.48 -2.16 -0.44 0.31 0.22 -2.44 118.33 122.20 1x86 n VAL 1099Ca 0.14 -5.29 -0.42 0.00 -0.01 0.00 0.00 64.34 58.76 1x86 n VAL 1099Cb 0.44 -2.32 -0.03 0.00 -0.91 0.00 0.00 33.84 31.02 1x86 n VAL 1099CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1x86 s ILE 1100N -1.73 3.62 0.28 2.52 1.01 0.96 -3.13 121.20 124.73 1x86 s ILE 1100Ca 0.30 0.98 0.04 0.00 0.00 0.00 0.00 60.65 61.97 1x86 s ILE 1100Cb -0.03 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.79 1x86 s ILE 1100CO -0.07 -0.02 0.43 -0.55 0.00 0.00 0.00 174.94 174.73 1x86 s SER 1101N 2.12 6.26 -0.40 3.58 0.15 -0.27 0.52 113.70 125.66 1x86 s SER 1101Ca 0.66 0.14 0.03 0.00 0.70 0.00 0.00 55.95 57.48 1x86 s SER 1101Cb -0.32 -1.82 0.16 0.00 -1.71 0.00 0.00 66.02 62.33 1x86 s SER 1101CO 0.27 -0.18 0.36 -0.04 1.20 0.00 0.00 173.24 174.85 1x86 s MET 1102N -4.10 0.76 0.93 5.44 1.00 -0.80 -2.95 119.30 119.58 1x86 s MET 1102Ca 0.37 -1.42 -0.13 0.00 0.00 0.00 0.00 55.69 54.51 1x86 s MET 1102Cb -0.09 -1.02 0.15 0.00 0.00 0.00 0.00 34.83 33.87 1x86 s MET 1102CO 0.31 -1.28 1.16 -1.12 0.00 0.00 0.00 175.02 174.09 1x86 s SER 1103N 0.81 3.32 0.21 3.03 0.01 -1.14 -4.82 113.70 115.13 1x86 s SER 1103Ca 0.24 0.85 -0.09 0.00 1.31 0.00 0.00 55.95 58.26 1x86 s SER 1103Cb -0.09 -1.33 0.31 0.00 0.21 0.00 0.00 66.02 65.12 1x86 s SER 1103CO -0.08 -2.66 1.72 -0.78 0.41 0.00 0.00 173.24 171.85 1x86 h ASP 1104N -1.57 0.11 0.00 2.44 3.58 -2.03 -2.67 116.42 116.27 1x86 h ASP 1104Ca -0.49 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.06 1x86 h ASP 1104Cb 1.32 0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.48 1x86 h ASP 1104CO 0.57 0.06 -0.19 -3.20 -2.88 0.00 0.00 179.24 173.60 1x86 n ASN 1105N -5.07 2.31 0.00 2.28 2.85 -1.26 -5.05 115.26 111.31 1x86 n ASN 1105Ca 0.10 -1.67 0.00 0.00 -0.11 0.00 0.00 54.58 52.89 1x86 n ASN 1105Cb 0.32 0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.52 1x86 n ASN 1105CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x86 n GLY 1106N 1.35 1.88 2.86 8.20 0.00 -1.01 -5.16 105.19 113.31 1x86 n GLY 1106Ca 0.13 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 1x86 n GLY 1106CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x86 s ALA 1107N -1.00 -0.87 -0.34 4.61 0.00 -1.26 -2.86 121.76 120.04 1x86 s ALA 1107Ca 0.00 0.57 -0.13 0.00 0.00 0.00 0.00 51.96 52.40 1x86 s ALA 1107Cb 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 23.12 21.45 1x86 s ALA 1107CO 0.00 -1.35 0.23 -0.65 0.00 0.00 0.00 175.76 173.99 1x86 s GLN 1108N 2.48 3.43 -0.17 0.00 -0.21 -1.15 -4.96 119.66 119.08 1x86 s GLN 1108Ca 0.11 -0.69 -0.18 0.00 0.02 0.00 0.00 55.36 54.62 1x86 s GLN 1108Cb -0.15 -3.79 -0.04 0.00 1.00 0.00 0.00 33.01 30.03 1x86 s GLN 1108CO -0.18 -0.47 0.50 0.42 -2.12 0.00 0.00 175.29 173.44 1x86 s ILE 1109N 1.70 5.14 -0.35 1.08 1.01 -1.26 -1.12 121.20 127.40 1x86 s ILE 1109Ca 0.06 0.95 -0.08 0.00 0.00 0.00 0.00 60.65 61.57 1x86 s ILE 1109Cb -0.17 -3.83 0.03 0.00 0.01 0.00 0.00 42.46 38.50 1x86 s ILE 1109CO 0.10 0.24 0.15 -0.31 0.00 0.00 0.00 174.94 175.11 1x86 s TYR 1110N 1.25 3.25 -0.00 3.97 1.51 -1.18 -4.96 117.35 121.18 1x86 s TYR 1110Ca 0.25 -1.23 -0.30 0.00 -1.01 0.00 0.00 57.07 54.77 1x86 s TYR 1110Cb -0.15 -2.34 -0.04 0.00 -0.11 0.00 0.00 41.96 39.31 1x86 s TYR 1110CO 0.10 -0.70 1.16 -2.00 -1.11 0.00 0.00 175.55 173.00 1x86 s GLU 1111N 1.46 4.42 -0.21 -0.62 2.12 -1.26 0.70 118.70 125.31 1x86 s GLU 1111Ca -0.00 1.66 -0.02 0.00 0.36 0.00 0.00 54.97 56.97 1x86 s GLU 1111Cb -0.19 -3.46 0.07 0.00 0.26 0.00 0.00 34.13 30.80 1x86 s GLU 1111CO 0.04 -0.31 0.03 -0.51 -0.54 0.00 0.00 175.26 173.98 1x86 s LEU 1112N 1.57 1.47 0.01 2.70 1.43 0.61 -3.41 118.68 123.07 1x86 s LEU 1112Ca 0.56 -0.97 -0.19 0.00 -1.03 0.00 0.00 54.13 52.50 1x86 s LEU 1112Cb -0.26 -0.70 -0.06 0.00 0.03 0.00 0.00 46.19 45.21 1x86 s LEU 1112CO 0.26 -0.31 0.55 0.54 0.23 0.00 0.00 176.35 177.61 1x86 s VAL 1113N 1.77 4.90 0.19 -1.59 0.11 0.23 0.39 120.40 126.40 1x86 s VAL 1113Ca -0.00 1.14 0.05 0.00 -2.93 0.00 0.00 61.98 60.25 1x86 s VAL 1113Cb -0.17 -3.88 -0.04 0.00 -1.53 0.00 0.00 36.38 30.76 1x86 s VAL 1113CO -0.10 0.48 0.17 0.00 -3.33 0.00 0.00 175.10 172.32 1x86 s ALA 1114N -0.53 3.62 0.29 1.54 0.00 -0.35 0.32 121.76 126.64 1x86 s ALA 1114Ca 0.29 -1.25 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1x86 s ALA 1114Cb -0.18 -1.39 0.44 0.00 0.00 0.00 0.00 23.12 21.98 1x86 s ALA 1114CO 0.16 0.43 1.75 1.96 0.00 0.00 0.00 175.76 180.07 1x86 h GLN 1115N 2.12 0.49 -6.34 0.00 4.20 -1.85 -3.43 115.11 110.30 1x86 h GLN 1115Ca -0.48 -0.17 -0.60 0.00 0.06 0.00 0.00 58.65 57.46 1x86 h GLN 1115Cb 1.21 -0.04 -0.19 0.00 0.30 0.00 0.00 27.48 28.76 1x86 h GLN 1115CO 0.63 0.68 -0.82 0.95 -0.67 0.00 0.00 178.83 179.60 1x86 s THR 1116N -4.58 2.03 0.32 -0.54 -4.23 -1.26 -4.99 115.64 102.38 1x86 s THR 1116Ca -0.07 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 58.60 1x86 s THR 1116Cb 0.14 -1.90 0.28 0.00 1.34 0.00 0.00 72.50 72.37 1x86 s THR 1116CO 0.79 -0.14 1.92 0.58 -0.54 0.00 0.00 174.62 177.23 1x86 h VAL 1117N 3.49 1.05 0.06 2.29 2.07 -1.86 -0.81 116.25 122.54 1x86 h VAL 1117Ca -0.46 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1x86 h VAL 1117Cb 1.20 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1x86 h VAL 1117CO 0.46 0.18 -0.03 0.28 0.02 0.00 0.00 177.57 178.48 1x86 h SER 1118N 0.96 -0.06 -1.09 0.57 0.02 -1.96 -1.44 113.55 110.55 1x86 h SER 1118Ca 0.37 -0.51 0.34 0.00 -0.84 0.00 0.00 61.79 61.15 1x86 h SER 1118Cb 0.22 0.02 -0.13 0.00 0.14 0.00 0.00 62.40 62.64 1x86 h SER 1118CO -0.14 0.50 0.66 -0.33 -1.14 0.00 0.00 176.83 176.38 1x86 h GLU 1119N -0.66 0.28 -0.01 3.45 5.08 -1.84 0.87 114.58 121.74 1x86 h GLU 1119Ca -0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1x86 h GLU 1119Cb 0.57 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1x86 h GLU 1119CO 0.01 0.18 -0.02 1.57 -1.00 0.00 0.00 179.01 179.76 1x86 h LYS 1120N 0.28 0.03 -0.08 2.33 5.09 -1.12 -2.87 116.57 120.23 1x86 h LYS 1120Ca 0.73 -0.02 0.02 0.00 0.09 0.00 0.00 60.65 61.47 1x86 h LYS 1120Cb 1.85 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 34.18 1x86 h LYS 1120CO -0.50 0.59 0.12 1.15 -2.09 0.00 0.00 179.45 178.72 1x86 h THR 1121N -0.52 0.39 0.01 0.07 2.02 0.19 0.24 112.91 115.30 1x86 h THR 1121Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1x86 h THR 1121Cb 0.59 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1x86 h THR 1121CO 0.00 0.00 -0.10 0.58 0.37 0.00 0.00 175.52 176.38 1x86 h VAL 1122N 0.00 1.67 -0.19 3.16 2.07 -1.32 -3.05 116.25 118.59 1x86 h VAL 1122Ca 0.04 -2.09 0.05 0.00 0.82 0.00 0.00 66.70 65.52 1x86 h VAL 1122Cb 0.27 3.07 -0.06 0.00 -1.52 0.00 0.00 31.29 33.05 1x86 h VAL 1122CO -0.00 0.55 -0.24 -0.50 0.02 0.00 0.00 177.57 177.40 1x86 h TRP 1123N -0.78 -0.64 -0.02 1.57 -0.00 -0.35 0.24 115.95 115.98 1x86 h TRP 1123Ca -0.01 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.94 1x86 h TRP 1123Cb 0.96 0.31 -0.05 0.00 -0.00 0.00 0.00 29.16 30.37 1x86 h TRP 1123CO 0.23 -0.32 -0.37 0.37 -0.00 0.00 0.00 178.44 178.35 1x86 h GLN 1124N -0.27 -0.49 0.19 0.49 4.15 -1.34 -1.77 115.11 116.06 1x86 h GLN 1124Ca 0.12 0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.58 1x86 h GLN 1124Cb 0.45 0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 1x86 h GLN 1124CO -0.34 -0.33 -0.43 0.22 -1.93 0.00 0.00 178.83 176.02 1x86 h ASP 1125N -0.51 -1.25 -0.08 -0.69 3.58 -1.20 -2.36 116.42 113.91 1x86 h ASP 1125Ca 0.06 0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 1x86 h ASP 1125Cb 0.60 0.46 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 1x86 h ASP 1125CO -0.30 -0.52 0.03 -0.07 -2.88 0.00 0.00 179.24 175.50 1x86 h LEU 1126N -0.71 0.11 -0.37 2.28 3.38 -0.37 0.47 115.31 120.10 1x86 h LEU 1126Ca 0.00 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 57.87 1x86 h LEU 1126Cb 0.71 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 41.34 1x86 h LEU 1126CO -0.21 0.26 -0.37 0.40 0.09 0.00 0.00 178.44 178.61 1x86 h ILE 1127N -0.04 0.18 -0.56 1.22 2.04 -1.38 0.10 117.51 119.07 1x86 h ILE 1127Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 1x86 h ILE 1127Cb 0.18 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 1x86 h ILE 1127CO -0.00 0.00 0.32 0.00 0.00 0.00 0.00 178.15 178.47 1x86 h ARG 1129N 0.77 -0.13 0.00 0.00 3.08 0.77 -3.18 114.38 115.70 1x86 h ARG 1129Ca 0.20 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1x86 h ARG 1129Cb -0.00 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1x86 h ARG 1129CO -0.04 -0.09 0.00 -1.33 -1.07 0.00 0.00 179.97 177.45 1x86 n MET 1130N -5.18 0.12 -0.03 0.04 2.81 0.28 -2.19 117.12 112.98 1x86 n MET 1130Ca -0.07 0.39 -0.15 0.00 -1.81 0.00 0.00 57.70 56.06 1x86 n MET 1130Cb 0.11 -1.75 -0.10 0.00 -0.71 0.00 0.00 33.22 30.77 1x86 n MET 1130CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x86 h ALA 1131N 2.31 0.07 -0.15 3.04 0.00 -1.41 -2.36 119.26 120.76 1x86 h ALA 1131Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.53 1x86 h ALA 1131Cb 0.29 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1x86 h ALA 1131CO 0.00 0.07 0.54 0.00 0.00 0.00 0.00 179.25 179.86 1x86 h ALA 1132N 0.36 1.72 -0.19 0.00 0.00 -1.49 0.34 119.26 120.01 1x86 h ALA 1132Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1x86 h ALA 1132Cb 0.90 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1x86 h ALA 1132CO 0.05 -0.62 0.00 0.43 0.00 0.00 0.00 179.25 179.11 1x86 n SER 1133N -3.00 2.58 -0.00 0.00 7.64 -1.16 -3.62 113.62 116.05 1x86 n SER 1133Ca 0.02 -1.75 -0.04 0.00 1.01 0.00 0.00 58.87 58.11 1x86 n SER 1133Cb 0.62 -0.12 -0.01 0.00 -1.01 0.00 0.00 64.21 63.69 1x86 n SER 1133CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1x86 n VAL 1134N 0.81 1.22 -0.12 0.44 0.31 0.46 -4.22 118.33 117.22 1x86 n VAL 1134Ca 0.11 0.26 -0.04 0.00 -0.01 0.00 0.00 64.34 64.65 1x86 n VAL 1134Cb 0.40 -1.82 0.03 0.00 -0.91 0.00 0.00 33.84 31.55 1x86 n VAL 1134CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1x86 h LYS 1135N -0.34 0.08 -0.01 5.55 1.57 -0.75 -3.18 116.57 119.49 1x86 h LYS 1135Ca -0.03 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1x86 h LYS 1135Cb 0.45 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1x86 h LYS 1135CO -0.02 0.05 -0.02 1.49 -0.57 0.00 0.00 179.45 180.38 1x86 h GLU 1136N 0.08 0.03 -0.08 3.15 4.81 -1.67 -3.35 114.58 117.55 1x86 h GLU 1136Ca 0.20 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1x86 h GLU 1136Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 1x86 h GLU 1136CO -0.35 0.61 0.00 1.04 -0.73 0.00 0.00 179.01 179.57 1x86 n GLN 1137N -4.78 0.61 0.00 1.92 6.02 -1.20 -5.06 117.38 114.89 1x86 n GLN 1137Ca -0.09 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.95 1x86 n GLN 1137Cb 0.31 -1.04 0.04 0.00 1.02 0.00 0.00 30.24 30.57 1x86 n GLN 1137CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92