#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 3.28 0.04 0.54 0.04 -1.26 -5.01 135.00 132.63 1x86 s PRO 767 Ca 0.00 -0.60 0.03 0.00 0.04 0.00 0.00 61.00 60.48 1x86 s PRO 767 Cb 0.00 -4.47 -0.02 0.00 0.04 0.00 0.00 34.50 30.05 1x86 s PRO 767 CO 0.00 -2.09 -0.10 0.54 0.04 0.00 0.00 177.00 175.39 1x86 s ASN 768 N 3.98 1.15 0.31 6.66 2.20 -1.26 -5.07 114.94 122.91 1x86 s ASN 768 Ca 0.35 -0.49 0.04 0.00 -0.94 0.00 0.00 52.86 51.82 1x86 s ASN 768 Cb -0.08 -0.02 0.81 0.00 -2.00 0.00 0.00 41.25 39.96 1x86 s ASN 768 CO 0.08 -0.10 1.60 -0.25 -2.94 0.00 0.00 177.10 175.49 1x86 h TRP 769 N 4.71 0.20 -0.43 1.54 7.01 -1.92 -2.90 115.95 124.16 1x86 h TRP 769 Ca -0.36 0.06 -0.08 0.00 2.11 0.00 0.00 58.89 60.62 1x86 h TRP 769 Cb 1.19 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 28.30 1x86 h TRP 769 CO 0.59 -0.36 -0.04 1.96 -2.79 0.00 0.00 178.44 177.80 1x86 h GLN 770 N 0.07 0.72 -0.65 2.65 4.20 -1.97 -3.09 115.11 117.05 1x86 h GLN 770 Ca 0.61 -0.20 0.10 0.00 0.06 0.00 0.00 58.65 59.22 1x86 h GLN 770 Cb 1.31 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.97 1x86 h GLN 770 CO -0.81 0.76 0.43 1.96 -0.67 0.00 0.00 178.83 180.51 1x86 h GLN 771 N 0.67 0.47 0.00 1.46 4.20 -1.93 -2.73 115.11 117.25 1x86 h GLN 771 Ca 0.13 -0.03 -0.22 0.00 0.06 0.00 0.00 58.65 58.59 1x86 h GLN 771 Cb 0.48 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 1x86 h GLN 771 CO 0.02 0.31 -1.24 -0.07 -0.67 0.00 0.00 178.83 177.19 1x86 h LEU 772 N 0.48 0.00 -9.85 1.46 3.38 -1.74 -3.47 115.31 105.58 1x86 h LEU 772 Ca 0.30 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.77 1x86 h LEU 772 Cb 0.54 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.31 1x86 h LEU 772 CO -0.09 0.88 0.48 -0.69 0.09 0.00 0.00 178.44 179.11 1x86 s VAL 773 N -2.73 3.43 0.82 1.22 1.01 -1.03 -4.97 120.40 118.15 1x86 s VAL 773 Ca -0.01 1.36 -0.17 0.00 0.00 0.00 0.00 61.98 63.15 1x86 s VAL 773 Cb 0.09 -3.83 -0.14 0.00 0.00 0.00 0.00 36.38 32.50 1x86 s VAL 773 CO 0.81 0.26 -0.48 -0.24 0.00 0.00 0.00 175.10 175.46 1x86 n SER 774 N 0.85 -4.90 0.15 3.32 2.88 -1.26 -4.87 113.62 109.79 1x86 n SER 774 Ca 0.00 0.36 0.10 0.00 -1.33 0.00 0.00 58.87 58.00 1x86 n SER 774 Cb 0.45 -0.83 0.07 0.00 -0.75 0.00 0.00 64.21 63.16 1x86 n SER 774 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1x86 h ARG 775 N -0.67 0.00 0.57 -1.46 3.08 -1.95 -3.06 114.38 110.90 1x86 h ARG 775 Ca -0.43 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 1x86 h ARG 775 Cb 1.35 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.41 1x86 h ARG 775 CO 0.30 0.08 -0.28 0.93 -1.07 0.00 0.00 179.97 179.94 1x86 h GLU 776 N 0.00 -0.74 -0.98 0.04 4.39 -2.00 -1.86 114.58 113.42 1x86 h GLU 776 Ca -0.01 0.05 0.20 0.00 0.34 0.00 0.00 59.36 59.93 1x86 h GLU 776 Cb 1.09 0.17 -0.10 0.00 -0.10 0.00 0.00 28.75 29.82 1x86 h GLU 776 CO 0.01 -0.44 0.61 0.28 -1.16 0.00 0.00 179.01 178.31 1x86 h VAL 777 N -1.11 0.70 -0.06 3.13 2.07 -1.94 -1.59 116.25 117.46 1x86 h VAL 777 Ca -0.08 -0.23 -0.15 0.00 0.82 0.00 0.00 66.70 67.06 1x86 h VAL 777 Cb 0.64 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1x86 h VAL 777 CO 0.13 0.12 -0.63 0.25 0.02 0.00 0.00 177.57 177.46 1x86 h LEU 778 N 0.67 0.24 -1.97 2.57 6.46 -1.47 -3.32 115.31 118.50 1x86 h LEU 778 Ca 0.55 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 58.15 1x86 h LEU 778 Cb 0.99 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1x86 h LEU 778 CO -0.32 0.81 -0.10 0.25 -0.62 0.00 0.00 178.44 178.45 1x86 h LEU 779 N 0.15 0.00 -6.26 2.25 5.85 -0.41 -2.94 115.31 113.96 1x86 h LEU 779 Ca -0.01 0.00 -0.66 0.00 0.84 0.00 0.00 57.88 58.05 1x86 h LEU 779 Cb 1.14 0.00 -0.38 0.00 0.37 0.00 0.00 40.66 41.79 1x86 h LEU 779 CO 0.10 0.10 -0.16 0.61 -0.34 0.00 0.00 178.44 178.75 1x86 n GLY 780 N -0.71 5.09 3.12 3.75 0.00 -1.25 -4.98 105.19 110.21 1x86 n GLY 780 Ca -0.02 -2.74 -0.12 0.00 0.00 0.00 0.00 46.02 43.14 1x86 n GLY 780 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x86 s LEU 781 N -2.80 -0.09 0.26 0.99 1.43 -1.11 -5.08 118.68 112.29 1x86 s LEU 781 Ca 0.39 0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 53.89 1x86 s LEU 781 Cb 0.14 0.96 -0.14 0.00 0.03 0.00 0.00 46.19 47.18 1x86 s LEU 781 CO -0.00 -0.20 1.26 0.29 0.23 0.00 0.00 176.35 177.93 1x86 n LYS 782 N 4.76 1.79 -0.38 1.70 5.02 -1.26 -4.75 118.16 125.04 1x86 n LYS 782 Ca -0.16 0.63 0.30 0.00 -2.02 0.00 0.00 58.31 57.06 1x86 n LYS 782 Cb 0.52 -2.19 0.48 0.00 -0.02 0.00 0.00 35.03 33.81 1x86 n LYS 782 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1x86 n PRO 783 N 1.39 -0.01 -0.27 1.97 -0.02 -1.26 0.25 135.00 137.05 1x86 n PRO 783 Ca 0.10 0.73 0.07 0.00 -2.02 0.00 0.00 63.50 62.37 1x86 n PRO 783 Cb 0.32 -1.56 0.19 0.00 -0.02 0.00 0.00 33.50 32.42 1x86 n PRO 783 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1x86 h GLU 785 N 1.89 0.00 -0.49 0.00 4.57 -0.45 -3.25 114.58 116.85 1x86 h GLU 785 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1x86 h GLU 785 Cb 0.98 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.47 1x86 h GLU 785 CO 0.08 0.72 -0.46 0.82 -1.18 0.00 0.00 179.01 178.98 1x86 h ILE 786 N -1.00 0.07 -0.05 2.32 2.04 -1.63 0.15 117.51 119.42 1x86 h ILE 786 Ca -0.17 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1x86 h ILE 786 Cb 0.96 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1x86 h ILE 786 CO -0.10 0.00 0.13 0.50 0.00 0.00 0.00 178.15 178.68 1x86 h LYS 787 N -0.30 0.00 0.02 2.37 3.64 -1.65 0.24 116.57 120.89 1x86 h LYS 787 Ca 0.14 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1x86 h LYS 787 Cb 0.58 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1x86 h LYS 787 CO -0.63 0.00 -0.38 -0.09 -2.27 0.00 0.00 179.45 176.08 1x86 h ARG 788 N 0.00 0.23 -0.86 1.90 2.43 -0.82 -3.30 114.38 113.95 1x86 h ARG 788 Ca 0.02 -0.27 0.17 0.00 -0.81 0.00 0.00 59.98 59.10 1x86 h ARG 788 Cb 0.28 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.84 1x86 h ARG 788 CO -0.00 1.01 0.57 1.96 -1.51 0.00 0.00 179.97 181.99 1x86 h GLN 789 N -0.43 0.48 -0.58 0.20 1.08 0.14 0.12 115.11 116.12 1x86 h GLN 789 Ca -0.05 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1x86 h GLN 789 Cb 1.15 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 28.45 1x86 h GLN 789 CO 0.07 0.32 0.37 0.93 -0.95 0.00 0.00 178.83 179.57 1x86 h GLU 790 N 0.49 0.77 -0.12 1.46 4.39 -1.35 -1.40 114.58 118.82 1x86 h GLU 790 Ca 0.44 -0.05 -0.15 0.00 0.34 0.00 0.00 59.36 59.94 1x86 h GLU 790 Cb 0.96 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1x86 h GLU 790 CO -0.17 0.53 -0.49 0.28 -1.16 0.00 0.00 179.01 177.99 1x86 h VAL 791 N 0.79 1.35 -0.84 3.13 2.07 -0.92 -2.13 116.25 119.69 1x86 h VAL 791 Ca 0.21 -1.79 0.15 0.00 0.82 0.00 0.00 66.70 66.09 1x86 h VAL 791 Cb -0.07 2.12 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 1x86 h VAL 791 CO -0.04 0.54 0.55 0.40 0.02 0.00 0.00 177.57 179.04 1x86 h ILE 792 N 0.17 0.81 -0.34 4.57 2.04 -1.01 0.20 117.51 123.95 1x86 h ILE 792 Ca -0.03 -0.20 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 1x86 h ILE 792 Cb 1.13 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1x86 h ILE 792 CO 0.10 0.11 -0.16 -1.13 0.00 0.00 0.00 178.15 177.07 1x86 h ASN 793 N 0.58 0.73 -0.71 1.72 -0.00 -0.96 -2.18 115.58 114.75 1x86 h ASN 793 Ca 0.42 -0.41 -0.05 0.00 -0.00 0.00 0.00 56.30 56.27 1x86 h ASN 793 Cb 0.79 -0.20 -0.03 0.00 -0.00 0.00 0.00 38.32 38.88 1x86 h ASN 793 CO -0.17 0.97 0.26 -0.08 -0.00 0.00 0.00 177.43 178.41 1x86 h GLU 794 N 0.48 1.09 -0.60 6.67 4.81 -0.65 -0.39 114.58 126.00 1x86 h GLU 794 Ca 0.08 -0.21 0.12 0.00 -0.13 0.00 0.00 59.36 59.22 1x86 h GLU 794 Cb 0.70 -0.17 -0.09 0.00 0.63 0.00 0.00 28.75 29.81 1x86 h GLU 794 CO 0.05 0.91 0.07 1.25 -0.73 0.00 0.00 179.01 180.55 1x86 h LEU 795 N 1.06 -0.13 -0.02 1.64 5.85 -0.45 -2.13 115.31 121.14 1x86 h LEU 795 Ca 0.24 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 59.06 1x86 h LEU 795 Cb 0.25 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1x86 h LEU 795 CO -0.01 -0.05 -0.10 -0.26 -0.34 0.00 0.00 178.44 177.67 1x86 h PHE 796 N 0.19 0.14 0.00 1.25 0.04 -0.58 -2.29 116.94 115.68 1x86 h PHE 796 Ca 0.31 -0.06 0.00 0.00 2.80 0.00 0.00 57.97 61.02 1x86 h PHE 796 Cb 0.49 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.62 1x86 h PHE 796 CO -0.30 0.77 0.00 2.48 -0.60 0.00 0.00 178.31 180.66 1x86 n TYR 797 N -4.65 0.00 -0.01 -0.55 0.18 -0.28 -2.16 117.16 109.68 1x86 n TYR 797 Ca -0.09 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.59 1x86 n TYR 797 Cb 0.39 -0.25 -0.14 0.00 -0.38 0.00 0.00 39.34 38.96 1x86 n TYR 797 CO 0.00 0.00 0.00 1.15 -2.08 0.00 0.00 176.86 175.93 1x86 h THR 798 N 0.00 0.88 -0.25 -3.48 2.02 -1.30 -2.68 112.91 108.10 1x86 h THR 798 Ca 0.00 -2.71 -0.11 0.00 0.77 0.00 0.00 66.41 64.37 1x86 h THR 798 Cb 0.21 2.46 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 1x86 h THR 798 CO 0.00 0.56 -0.29 -0.08 0.37 0.00 0.00 175.52 176.08 1x86 h GLU 799 N 0.01 0.51 -0.01 6.66 4.57 -0.92 -1.02 114.58 124.38 1x86 h GLU 799 Ca -0.28 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 57.68 1x86 h GLU 799 Cb 2.00 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.57 1x86 h GLU 799 CO 0.08 0.75 -0.02 -0.09 -1.18 0.00 0.00 179.01 178.55 1x86 h ARG 800 N 0.44 0.03 0.00 1.92 2.43 -1.54 -1.93 114.38 115.73 1x86 h ARG 800 Ca 0.06 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1x86 h ARG 800 Cb 0.73 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.28 1x86 h ARG 800 CO 0.06 0.61 -0.02 0.00 -1.51 0.00 0.00 179.97 179.11 1x86 h ALA 801 N 0.42 1.81 -0.14 2.80 0.00 -1.43 -1.28 119.26 121.44 1x86 h ALA 801 Ca -0.00 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1x86 h ALA 801 Cb 0.61 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1x86 h ALA 801 CO 0.00 0.02 -0.67 1.25 0.00 0.00 0.00 179.25 179.86 1x86 h HIS 802 N 0.00 0.72 0.00 0.00 -0.00 -1.15 -2.65 115.15 112.07 1x86 h HIS 802 Ca -0.00 -0.29 -0.04 0.00 -0.00 0.00 0.00 60.37 60.03 1x86 h HIS 802 Cb 0.03 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 1x86 h HIS 802 CO 0.00 1.06 -0.20 0.28 -0.00 0.00 0.00 177.93 179.07 1x86 h VAL 803 N 0.40 0.86 -0.03 5.26 2.07 -0.42 -2.38 116.25 122.00 1x86 h VAL 803 Ca -0.02 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1x86 h VAL 803 Cb 1.24 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.46 1x86 h VAL 803 CO 0.12 0.19 -0.19 -0.09 0.02 0.00 0.00 177.57 177.63 1x86 h ARG 804 N 0.00 0.19 -0.35 1.57 2.43 -1.09 -0.68 114.38 116.45 1x86 h ARG 804 Ca -0.00 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 58.99 1x86 h ARG 804 Cb 0.43 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.00 1x86 h ARG 804 CO 0.03 0.82 0.12 1.15 -1.51 0.00 0.00 179.97 180.58 1x86 h THR 805 N -0.40 1.15 -0.39 0.20 2.02 -1.46 0.22 112.91 114.25 1x86 h THR 805 Ca -0.01 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 1x86 h THR 805 Cb 0.86 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1x86 h THR 805 CO 0.04 0.18 -0.02 -0.07 0.37 0.00 0.00 175.52 176.02 1x86 h LEU 806 N 0.49 0.59 -0.52 2.58 3.38 -1.16 -1.85 115.31 118.83 1x86 h LEU 806 Ca 0.12 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1x86 h LEU 806 Cb 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1x86 h LEU 806 CO -0.01 0.67 0.17 0.11 0.09 0.00 0.00 178.44 179.47 1x86 h LYS 807 N 0.59 0.80 0.63 1.13 1.57 0.25 -2.29 116.57 119.24 1x86 h LYS 807 Ca 0.12 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1x86 h LYS 807 Cb 0.40 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1x86 h LYS 807 CO 0.02 0.73 -0.32 0.28 -0.57 0.00 0.00 179.45 179.59 1x86 h VAL 808 N 0.70 0.35 -0.96 0.50 2.07 -0.29 0.61 116.25 119.24 1x86 h VAL 808 Ca 0.17 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.91 1x86 h VAL 808 Cb 0.26 0.35 -0.18 0.00 -1.52 0.00 0.00 31.29 30.20 1x86 h VAL 808 CO -0.01 0.00 -0.15 -0.11 0.02 0.00 0.00 177.57 177.33 1x86 n LEU 809 N -5.47 -0.26 0.10 2.57 7.94 -0.77 -1.06 117.00 120.06 1x86 n LEU 809 Ca -0.13 1.65 -0.12 0.00 -1.11 0.00 0.00 56.01 56.30 1x86 n LEU 809 Cb 0.36 -0.53 -0.08 0.00 0.53 0.00 0.00 43.42 43.70 1x86 n LEU 809 CO 0.37 -1.61 0.45 -0.78 -1.11 0.00 0.00 177.39 174.71 1x86 h ASP 810 N 0.00 -0.27 0.86 1.96 -0.00 -0.38 -0.91 116.42 117.68 1x86 h ASP 810 Ca 0.51 -0.26 -0.11 0.00 -0.00 0.00 0.00 57.03 57.17 1x86 h ASP 810 Cb 0.88 0.07 -0.02 0.00 -0.00 0.00 0.00 39.33 40.26 1x86 h ASP 810 CO -0.96 0.20 -1.21 1.56 -0.00 0.00 0.00 179.24 178.83 1x86 h GLN 811 N -0.84 0.00 0.00 0.28 4.20 0.24 0.54 115.11 119.54 1x86 h GLN 811 Ca -0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1x86 h GLN 811 Cb 0.51 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1x86 h GLN 811 CO 0.05 0.20 -1.73 0.28 -0.67 0.00 0.00 178.83 176.96 1x86 n VAL 812 N -2.84 0.00 0.01 -0.54 0.31 -0.22 -4.24 118.33 110.80 1x86 n VAL 812 Ca -0.06 -0.37 -0.00 0.00 -0.01 0.00 0.00 64.34 63.90 1x86 n VAL 812 Cb 0.74 0.25 -0.00 0.00 -0.91 0.00 0.00 33.84 33.92 1x86 n VAL 812 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1x86 n PHE 813 N -2.06 0.00 -0.16 3.52 3.72 -1.21 -4.70 117.46 116.58 1x86 n PHE 813 Ca -0.02 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.27 1x86 n PHE 813 Cb 0.50 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 39.02 1x86 n PHE 813 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1x86 h TYR 814 N -0.03 0.95 -0.55 1.38 3.20 -0.98 -0.57 116.97 120.37 1x86 h TYR 814 Ca 0.00 -0.19 -0.04 0.00 3.14 0.00 0.00 58.73 61.64 1x86 h TYR 814 Cb 0.03 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1x86 h TYR 814 CO -0.01 0.93 0.19 0.37 -1.64 0.00 0.00 178.16 178.00 1x86 h GLN 815 N 0.70 0.83 0.44 1.82 5.75 -0.14 -2.70 115.11 121.81 1x86 h GLN 815 Ca 0.12 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1x86 h GLN 815 Cb 0.60 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.03 1x86 h GLN 815 CO 0.04 0.74 -0.21 -0.09 -2.65 0.00 0.00 178.83 176.66 1x86 h ARG 816 N 0.75 -0.57 -0.83 1.69 2.43 -1.64 -2.98 114.38 113.23 1x86 h ARG 816 Ca 0.18 0.04 0.19 0.00 -0.81 0.00 0.00 59.98 59.58 1x86 h ARG 816 Cb 0.24 0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 1x86 h ARG 816 CO -0.01 -0.34 0.56 -0.24 -1.51 0.00 0.00 179.97 178.43 1x86 h VAL 817 N -1.12 0.70 0.69 0.20 3.04 -1.23 -1.63 116.25 116.90 1x86 h VAL 817 Ca -0.06 -0.11 -0.03 0.00 -1.01 0.00 0.00 66.70 65.49 1x86 h VAL 817 Cb 0.50 0.35 0.01 0.00 -2.01 0.00 0.00 31.29 30.14 1x86 h VAL 817 CO 0.10 0.06 -0.33 -1.28 -1.01 0.00 0.00 177.57 175.11 1x86 h SER 818 N 0.32 -0.78 0.87 3.17 0.87 -1.39 -2.69 113.55 113.91 1x86 h SER 818 Ca 0.42 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.96 1x86 h SER 818 Cb 1.14 0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1x86 h SER 818 CO -0.12 -0.48 -0.07 0.03 -0.53 0.00 0.00 176.83 175.66 1x86 h ARG 819 N -1.05 0.00 0.00 2.24 3.08 -1.33 -2.53 114.38 114.78 1x86 h ARG 819 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1x86 h ARG 819 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1x86 h ARG 819 CO 0.15 0.07 0.00 1.49 -1.07 0.00 0.00 179.97 180.61 1x86 h GLU 820 N 0.00 0.00 -1.41 0.04 4.81 -1.14 -3.47 114.58 113.41 1x86 h GLU 820 Ca -0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1x86 h GLU 820 Cb 0.52 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1x86 h GLU 820 CO 0.01 0.00 -0.29 0.41 -0.73 0.00 0.00 179.01 178.41 1x86 n GLY 821 N 0.64 0.30 0.14 1.92 0.00 -0.95 -4.93 105.19 102.31 1x86 n GLY 821 Ca 0.04 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 1x86 n GLY 821 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1x86 h ILE 822 N 0.00 1.43 -3.39 -0.61 2.04 -1.83 -3.44 117.51 111.72 1x86 h ILE 822 Ca -0.28 -2.57 -0.65 0.00 1.00 0.00 0.00 64.86 62.35 1x86 h ILE 822 Cb 1.09 2.51 -0.17 0.00 -0.74 0.00 0.00 36.82 39.51 1x86 h ILE 822 CO 0.35 0.76 -0.77 -0.76 0.00 0.00 0.00 178.15 177.74 1x86 s LEU 823 N -7.58 2.80 1.24 1.44 1.43 -1.26 -4.95 118.68 111.80 1x86 s LEU 823 Ca -0.05 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.28 1x86 s LEU 823 Cb 0.09 -1.57 0.30 0.00 0.03 0.00 0.00 46.19 45.03 1x86 s LEU 823 CO 0.86 0.14 1.06 -0.94 0.23 0.00 0.00 176.35 177.71 1x86 s SER 824 N -2.46 0.57 0.51 2.29 1.04 -1.26 -4.77 113.70 109.62 1x86 s SER 824 Ca 0.21 0.78 0.18 0.00 0.48 0.00 0.00 55.95 57.60 1x86 s SER 824 Cb -0.10 -1.12 1.28 0.00 0.10 0.00 0.00 66.02 66.18 1x86 s SER 824 CO 0.12 -4.35 2.11 1.55 0.98 0.00 0.00 173.24 173.65 1x86 h PRO 825 N -2.73 0.00 0.00 4.02 0.13 -1.99 -2.07 132.00 129.36 1x86 h PRO 825 Ca -0.46 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1x86 h PRO 825 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1x86 h PRO 825 CO 0.36 0.07 -0.02 0.66 -0.23 0.00 0.00 178.00 178.83 1x86 h SER 826 N 0.00 0.00 0.08 1.44 4.64 -2.00 -2.99 113.55 114.72 1x86 h SER 826 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1x86 h SER 826 Cb 0.12 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.15 1x86 h SER 826 CO 0.01 0.02 -2.28 -0.62 -0.87 0.00 0.00 176.83 173.09 1x86 n GLU 827 N -3.11 0.68 -0.32 4.77 1.02 -1.18 -3.66 120.64 118.83 1x86 n GLU 827 Ca 0.01 0.10 0.09 0.00 -0.02 0.00 0.00 57.16 57.34 1x86 n GLU 827 Cb 0.36 -1.58 0.26 0.00 -0.02 0.00 0.00 31.44 30.47 1x86 n GLU 827 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1x86 h LEU 828 N 0.01 0.62 -0.08 -4.62 3.38 -1.40 0.16 115.31 113.39 1x86 h LEU 828 Ca -0.51 0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.41 1x86 h LEU 828 Cb 2.11 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.83 1x86 h LEU 828 CO 0.01 0.24 -0.67 0.03 0.09 0.00 0.00 178.44 178.14 1x86 h ARG 829 N 0.68 0.00 0.00 1.13 3.08 -1.70 -2.90 114.38 114.66 1x86 h ARG 829 Ca 0.51 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.32 1x86 h ARG 829 Cb 0.74 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.75 1x86 h ARG 829 CO -0.37 0.67 -1.38 -0.22 -1.07 0.00 0.00 179.97 177.60 1x86 h LYS 830 N 0.00 0.00 0.15 0.04 1.63 -1.42 0.48 116.57 117.45 1x86 h LYS 830 Ca -0.01 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.59 1x86 h LYS 830 Cb 1.48 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 33.14 1x86 h LYS 830 CO 0.09 0.61 -0.90 0.82 -3.45 0.00 0.00 179.45 176.63 1x86 h ILE 831 N 0.00 1.48 0.00 2.00 2.04 -0.84 -3.36 117.51 118.83 1x86 h ILE 831 Ca -0.17 -2.54 0.00 0.00 1.00 0.00 0.00 64.86 63.15 1x86 h ILE 831 Cb 1.84 3.15 0.00 0.00 -0.74 0.00 0.00 36.82 41.08 1x86 h ILE 831 CO 0.09 0.73 -1.01 0.49 0.00 0.00 0.00 178.15 178.44 1x86 n PHE 832 N -4.07 0.00 0.00 1.37 3.72 -1.10 -4.77 117.46 112.61 1x86 n PHE 832 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1x86 n PHE 832 Cb 0.86 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 1x86 n PHE 832 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1x86 n SER 833 N -1.57 0.00 -2.98 4.37 3.41 0.17 -2.49 113.62 114.53 1x86 n SER 833 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 1x86 n SER 833 Cb 0.24 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.22 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 2.86 7.42 -0.35 4.04 6.94 -1.26 -4.71 115.26 130.20 1x86 n ASN 834 Ca 0.00 -3.82 0.07 0.00 -0.02 0.00 0.00 54.58 50.81 1x86 n ASN 834 Cb 0.00 -1.06 0.25 0.00 -2.36 0.00 0.00 39.78 36.61 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 3.11 0.92 -2.13 -4.53 5.85 -1.90 -2.57 115.31 114.06 1x86 h LEU 835 Ca 0.56 0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.31 1x86 h LEU 835 Cb 0.08 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1x86 h LEU 835 CO 1.39 0.50 -0.04 -0.08 -0.34 0.00 0.00 178.44 179.86 1x86 h GLU 836 N 0.99 0.00 0.00 1.25 4.57 -1.89 -1.89 114.58 117.61 1x86 h GLU 836 Ca 0.49 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.63 1x86 h GLU 836 Cb 0.47 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 1x86 h GLU 836 CO -0.25 0.04 -0.25 -0.44 -1.18 0.00 0.00 179.01 176.93 1x86 h ASP 837 N 0.00 0.00 0.05 1.04 5.19 -1.86 -2.68 116.42 118.16 1x86 h ASP 837 Ca -0.00 -0.45 -0.08 0.00 -0.62 0.00 0.00 57.03 55.89 1x86 h ASP 837 Cb 0.28 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.78 1x86 h ASP 837 CO 0.01 0.86 -0.23 0.16 -3.12 0.00 0.00 179.24 176.91 1x86 h ILE 838 N -1.00 1.24 0.54 0.35 3.07 -1.57 0.52 117.51 120.67 1x86 h ILE 838 Ca -0.05 -1.13 -0.03 0.00 1.55 0.00 0.00 64.86 65.21 1x86 h ILE 838 Cb 0.63 1.37 0.01 0.00 -0.27 0.00 0.00 36.82 38.55 1x86 h ILE 838 CO -0.03 0.35 -0.26 0.25 -1.05 0.00 0.00 178.15 177.41 1x86 h LEU 839 N 0.29 -0.62 -2.08 0.16 5.85 -1.49 -2.29 115.31 115.12 1x86 h LEU 839 Ca 0.05 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1x86 h LEU 839 Cb 0.58 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1x86 h LEU 839 CO 0.04 -0.31 0.15 1.56 -0.34 0.00 0.00 178.44 179.54 1x86 h GLN 840 N -0.92 0.00 0.46 1.25 1.08 -0.90 -1.14 115.11 114.94 1x86 h GLN 840 Ca -0.07 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1x86 h GLN 840 Cb 0.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.06 1x86 h GLN 840 CO 0.12 0.00 -0.22 1.25 -0.95 0.00 0.00 178.83 179.03 1x86 h LEU 841 N 0.00 -0.52 -1.58 1.46 5.85 0.09 -2.95 115.31 117.66 1x86 h LEU 841 Ca 0.09 0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.97 1x86 h LEU 841 Cb 0.39 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1x86 h LEU 841 CO -0.00 -0.22 0.49 0.45 -0.34 0.00 0.00 178.44 178.82 1x86 h HIS 842 N -0.93 0.49 -0.17 1.25 3.86 -1.19 0.11 115.15 118.56 1x86 h HIS 842 Ca -0.06 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.20 1x86 h HIS 842 Cb 0.47 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.75 1x86 h HIS 842 CO 0.03 0.19 -0.09 0.82 0.86 0.00 0.00 177.93 179.74 1x86 h ILE 843 N 0.42 0.71 -0.56 2.45 2.04 -1.28 0.58 117.51 121.87 1x86 h ILE 843 Ca 0.36 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.16 1x86 h ILE 843 Cb 0.79 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1x86 h ILE 843 CO -0.11 0.00 0.10 1.23 0.00 0.00 0.00 178.15 179.37 1x86 h GLY 844 N -0.08 0.96 0.21 5.37 0.00 -0.71 -0.85 103.07 107.97 1x86 h GLY 844 Ca 0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1x86 h GLY 844 CO -0.22 0.55 -0.12 -2.00 0.00 0.00 0.00 176.54 174.75 1x86 h LEU 845 N 0.85 -0.29 -1.94 3.11 5.85 -0.31 -0.42 115.31 122.16 1x86 h LEU 845 Ca 0.18 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1x86 h LEU 845 Cb 0.36 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1x86 h LEU 845 CO 0.01 -0.19 0.39 -1.13 -0.34 0.00 0.00 178.44 177.18 1x86 h ASN 846 N -0.30 0.00 -0.10 1.25 -0.73 0.18 0.32 115.58 116.20 1x86 h ASN 846 Ca -0.03 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.08 1x86 h ASN 846 Cb 0.24 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.83 1x86 h ASN 846 CO 0.03 0.00 -0.17 -0.33 -0.37 0.00 0.00 177.43 176.59 1x86 h GLU 847 N 0.00 0.30 0.00 6.67 4.39 -0.65 -1.69 114.58 123.60 1x86 h GLU 847 Ca 0.06 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 1x86 h GLU 847 Cb 0.84 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1x86 h GLU 847 CO -0.00 0.76 -0.11 1.96 -1.16 0.00 0.00 179.01 180.46 1x86 h GLN 848 N -0.14 0.00 0.11 2.33 4.20 0.13 -0.88 115.11 120.86 1x86 h GLN 848 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 1x86 h GLN 848 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1x86 h GLN 848 CO 0.04 0.11 -0.05 0.52 -0.67 0.00 0.00 178.83 178.78 1x86 h MET 849 N 0.00 -0.14 0.00 1.46 2.86 -1.36 -2.66 114.93 115.10 1x86 h MET 849 Ca -0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1x86 h MET 849 Cb 0.21 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1x86 h MET 849 CO 0.01 0.32 0.02 1.17 1.06 0.00 0.00 176.91 179.50 1x86 n LYS 850 N -4.91 0.00 -0.09 1.72 4.81 -0.64 -0.83 118.16 118.22 1x86 n LYS 850 Ca -0.08 0.22 -0.14 0.00 -0.87 0.00 0.00 58.31 57.44 1x86 n LYS 850 Cb 0.27 -1.52 -0.07 0.00 0.02 0.00 0.00 35.03 33.73 1x86 n LYS 850 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1x86 h ALA 851 N 1.84 0.14 -1.00 3.14 0.00 -1.06 -3.36 119.26 118.96 1x86 h ALA 851 Ca 0.00 -0.88 0.21 0.00 0.00 0.00 0.00 54.91 54.24 1x86 h ALA 851 Cb 0.04 0.61 -0.11 0.00 0.00 0.00 0.00 17.79 18.33 1x86 h ALA 851 CO 0.00 0.59 0.61 0.28 0.00 0.00 0.00 179.25 180.73 1x86 h VAL 852 N -1.00 0.64 0.00 0.00 2.07 -0.63 0.26 116.25 117.60 1x86 h VAL 852 Ca -0.19 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1x86 h VAL 852 Cb 0.94 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1x86 h VAL 852 CO -0.12 0.13 -0.21 0.03 0.02 0.00 0.00 177.57 177.42 1x86 h ARG 853 N 0.69 0.00 -0.02 1.57 3.08 -1.67 -3.01 114.38 115.03 1x86 h ARG 853 Ca 0.60 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.40 1x86 h ARG 853 Cb 1.03 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.10 1x86 h ARG 853 CO -0.41 0.21 -0.99 0.87 -1.07 0.00 0.00 179.97 178.58 1x86 h LYS 854 N 0.00 0.64 0.00 0.04 1.57 -0.62 -3.38 116.57 114.83 1x86 h LYS 854 Ca -0.00 -0.67 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 1x86 h LYS 854 Cb 0.44 0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1x86 h LYS 854 CO 0.03 1.26 0.00 0.54 -0.57 0.00 0.00 179.45 180.71 1x86 n ARG 855 N -3.84 0.00 -2.00 3.15 1.74 -1.11 -4.48 116.66 110.12 1x86 n ARG 855 Ca -0.09 0.34 -0.43 0.00 -0.77 0.00 0.00 57.85 56.89 1x86 n ARG 855 Cb 0.85 -0.93 -0.03 0.00 -1.02 0.00 0.00 32.46 31.34 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 -2.78 6.15 0.19 0.55 2.20 -1.26 -4.90 114.94 115.10 1x86 s ASN 856 Ca 0.00 1.63 -0.12 0.00 -0.94 0.00 0.00 52.86 53.43 1x86 s ASN 856 Cb 0.00 -2.53 0.21 0.00 -2.00 0.00 0.00 41.25 36.94 1x86 s ASN 856 CO 0.00 -1.44 1.72 -0.33 -2.94 0.00 0.00 177.10 174.11 1x86 h GLU 857 N 11.76 0.26 -6.67 3.55 4.39 -1.86 -3.41 114.58 122.60 1x86 h GLU 857 Ca -0.36 -0.02 -0.48 0.00 0.34 0.00 0.00 59.36 58.85 1x86 h GLU 857 Cb 1.17 -0.06 0.02 0.00 -0.10 0.00 0.00 28.75 29.78 1x86 h GLU 857 CO 1.00 0.17 -0.08 0.95 -1.16 0.00 0.00 179.01 179.89 1x86 s THR 858 N -6.13 5.03 -1.65 1.13 -4.23 -1.26 -4.94 115.64 103.60 1x86 s THR 858 Ca -0.13 -0.22 0.01 0.00 -1.18 0.00 0.00 61.69 60.16 1x86 s THR 858 Cb 0.16 -3.86 0.02 0.00 1.34 0.00 0.00 72.50 70.15 1x86 s THR 858 CO 0.73 -0.67 0.71 -1.20 -0.54 0.00 0.00 174.62 173.66 1x86 n SER 859 N -1.96 0.00 -4.56 3.99 7.64 -1.26 -4.43 113.62 113.04 1x86 n SER 859 Ca -0.03 0.16 -0.41 0.00 1.01 0.00 0.00 58.87 59.60 1x86 n SER 859 Cb 0.56 -0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.55 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 -2.35 3.80 0.14 0.44 1.01 -1.26 -4.95 120.40 117.22 1x86 s VAL 860 Ca 0.01 0.55 -0.31 0.00 0.00 0.00 0.00 61.98 62.22 1x86 s VAL 860 Cb 0.01 -4.85 -0.09 0.00 0.00 0.00 0.00 36.38 31.44 1x86 s VAL 860 CO 0.01 -1.70 1.56 -0.63 0.00 0.00 0.00 175.10 174.34 1x86 s ILE 861 N 5.57 2.81 0.00 2.22 1.09 -1.26 -4.86 121.20 126.77 1x86 s ILE 861 Ca 0.38 0.53 0.00 0.00 -1.10 0.00 0.00 60.65 60.46 1x86 s ILE 861 Cb -0.08 -3.34 0.00 0.00 -1.06 0.00 0.00 42.46 37.98 1x86 s ILE 861 CO 0.18 0.03 0.00 0.47 -0.10 0.00 0.00 174.94 175.52 1x86 n ASP 862 N 4.30 0.00 -4.83 3.58 8.00 -1.26 -4.94 116.55 121.39 1x86 n ASP 862 Ca 0.14 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.32 1x86 n ASP 862 Cb 0.39 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.50 1x86 n ASP 862 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x86 s GLN 863 N 0.00 3.48 0.00 -1.24 0.00 -1.26 -4.96 119.66 115.68 1x86 s GLN 863 Ca 0.00 0.96 0.00 0.00 -0.00 0.00 0.00 55.36 56.32 1x86 s GLN 863 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 33.01 30.95 1x86 s GLN 863 CO 0.00 -0.66 0.96 1.51 0.00 0.00 0.00 175.29 177.09 1x86 n ILE 864 N -2.33 0.00 0.08 3.63 3.06 -1.26 -4.92 119.36 117.62 1x86 n ILE 864 Ca 0.07 0.00 -0.23 0.00 -2.50 0.00 0.00 62.75 60.09 1x86 n ILE 864 Cb 0.54 0.46 -0.15 0.00 0.54 0.00 0.00 39.64 41.03 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 0.46 0.49 4.50 0.00 -1.93 -3.06 103.07 103.52 1x86 h GLY 865 Ca 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 47.33 46.15 1x86 h GLY 865 CO 0.00 1.02 -0.18 0.83 0.00 0.00 0.00 176.54 178.21 1x86 h GLU 866 N -0.07 -0.49 -0.92 4.80 4.39 -1.96 -2.87 114.58 117.45 1x86 h GLU 866 Ca -0.26 0.03 0.21 0.00 0.34 0.00 0.00 59.36 59.69 1x86 h GLU 866 Cb 1.95 0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 30.59 1x86 h GLU 866 CO 0.19 -0.22 0.47 -0.44 -1.16 0.00 0.00 179.01 177.85 1x86 h ASP 867 N -1.03 0.48 -0.26 1.42 3.32 -1.95 0.64 116.42 119.04 1x86 h ASP 867 Ca -0.05 0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1x86 h ASP 867 Cb 0.51 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 1x86 h ASP 867 CO 0.09 0.08 0.13 -0.07 -1.72 0.00 0.00 179.24 177.74 1x86 h LEU 868 N 0.50 0.37 0.01 1.55 3.38 -1.53 0.14 115.31 119.74 1x86 h LEU 868 Ca 0.57 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.51 1x86 h LEU 868 Cb 1.04 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1x86 h LEU 868 CO -0.48 0.34 -0.01 -0.07 0.09 0.00 0.00 178.44 178.31 1x86 h LEU 869 N 0.42 -0.01 -0.98 1.67 3.38 0.23 -2.06 115.31 117.96 1x86 h LEU 869 Ca 0.11 -0.77 0.34 0.00 0.09 0.00 0.00 57.88 57.65 1x86 h LEU 869 Cb 0.08 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.66 1x86 h LEU 869 CO -0.01 0.84 0.40 0.74 0.09 0.00 0.00 178.44 180.50 1x86 h THR 870 N -0.94 0.12 0.13 0.22 2.02 0.15 0.23 112.91 114.83 1x86 h THR 870 Ca -0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1x86 h THR 870 Cb 0.78 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1x86 h THR 870 CO 0.00 0.02 -0.06 -0.50 0.37 0.00 0.00 175.52 175.35 1x86 h TRP 871 N 0.11 -0.16 -0.49 3.16 6.55 -0.78 -3.38 115.95 120.96 1x86 h TRP 871 Ca 0.73 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.57 1x86 h TRP 871 Cb 1.74 0.05 0.00 0.00 -0.86 0.00 0.00 29.16 30.10 1x86 h TRP 871 CO -0.14 0.28 0.00 1.19 -1.05 0.00 0.00 178.44 178.72 1x86 n PHE 872 N -4.87 0.65 -3.91 0.49 3.01 -0.75 -3.50 117.46 108.58 1x86 n PHE 872 Ca -0.07 -0.45 -0.08 0.00 1.01 0.00 0.00 57.45 57.85 1x86 n PHE 872 Cb 0.26 -0.01 -0.08 0.00 -0.01 0.00 0.00 39.48 39.64 1x86 n PHE 872 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1x86 s SER 873 N -1.04 0.19 1.30 4.37 1.04 0.72 -4.36 113.70 115.93 1x86 s SER 873 Ca 0.34 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1x86 s SER 873 Cb 0.18 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1x86 s SER 873 CO 0.24 -0.71 0.00 0.61 0.98 0.00 0.00 173.24 174.36 1x86 n GLY 874 N -0.03 2.86 0.13 7.32 0.00 -1.26 -3.89 105.19 110.31 1x86 n GLY 874 Ca -0.14 -0.28 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 1x86 n GLY 874 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x86 h PRO 875 N 0.00 0.40 -0.76 1.61 0.13 -1.92 -3.02 132.00 128.44 1x86 h PRO 875 Ca 0.00 -0.58 0.11 0.00 -0.87 0.00 0.00 66.00 64.66 1x86 h PRO 875 Cb 0.00 0.20 -0.05 0.00 0.13 0.00 0.00 31.00 31.28 1x86 h PRO 875 CO 0.00 1.25 0.50 0.78 -0.23 0.00 0.00 178.00 180.30 1x86 h GLY 876 N -0.16 0.91 1.00 1.56 0.00 -1.73 0.21 103.07 104.85 1x86 h GLY 876 Ca -0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 46.90 1x86 h GLY 876 CO 0.17 0.13 -0.34 -2.09 0.00 0.00 0.00 176.54 174.40 1x86 h GLU 877 N 0.60 -0.92 0.37 4.80 4.81 -1.59 -0.43 114.58 122.22 1x86 h GLU 877 Ca 0.36 0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1x86 h GLU 877 Cb 0.58 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 1x86 h GLU 877 CO -0.13 -0.61 -0.35 0.93 -0.73 0.00 0.00 179.01 178.12 1x86 h GLU 878 N -0.97 -0.72 -0.66 1.92 4.39 -1.13 1.29 114.58 118.70 1x86 h GLU 878 Ca -0.10 0.05 0.14 0.00 0.34 0.00 0.00 59.36 59.79 1x86 h GLU 878 Cb 0.74 0.16 -0.11 0.00 -0.10 0.00 0.00 28.75 29.44 1x86 h GLU 878 CO 0.16 -0.48 0.02 -0.22 -1.16 0.00 0.00 179.01 177.33 1x86 h LYS 879 N -0.75 0.12 -0.02 2.33 3.64 -1.07 -0.49 116.57 120.34 1x86 h LYS 879 Ca -0.03 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.25 1x86 h LYS 879 Cb 0.67 -0.03 0.01 0.00 -0.41 0.00 0.00 32.23 32.46 1x86 h LYS 879 CO -0.05 0.08 -0.37 1.25 -2.27 0.00 0.00 179.45 178.09 1x86 h LEU 880 N 0.13 0.36 -1.87 5.20 5.85 -0.29 -2.39 115.31 122.30 1x86 h LEU 880 Ca 0.35 -0.73 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 1x86 h LEU 880 Cb 0.59 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1x86 h LEU 880 CO -0.56 1.05 -0.01 0.07 -0.34 0.00 0.00 178.44 178.64 1x86 h LYS 881 N -0.28 0.06 0.28 1.25 2.10 0.20 -0.73 116.57 119.46 1x86 h LYS 881 Ca -0.04 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1x86 h LYS 881 Cb 1.08 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.40 1x86 h LYS 881 CO 0.07 0.08 -0.14 0.45 -2.00 0.00 0.00 179.45 177.92 1x86 h HIS 882 N 0.06 -0.35 -0.55 0.07 3.86 -1.12 -1.49 115.15 115.64 1x86 h HIS 882 Ca 0.02 -0.01 0.12 0.00 -1.16 0.00 0.00 60.37 59.34 1x86 h HIS 882 Cb 0.07 0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 1x86 h HIS 882 CO 0.00 -0.22 0.38 0.00 0.86 0.00 0.00 177.93 178.95 1x86 h ALA 883 N -1.17 2.22 -0.10 2.45 0.00 -1.31 0.46 119.26 121.81 1x86 h ALA 883 Ca -0.04 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 1x86 h ALA 883 Cb 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1x86 h ALA 883 CO 0.06 -0.36 -0.75 0.00 0.00 0.00 0.00 179.25 178.21 1x86 h ALA 884 N 1.73 0.51 -0.41 0.00 0.00 -1.23 -2.36 119.26 117.50 1x86 h ALA 884 Ca 0.26 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 54.58 1x86 h ALA 884 Cb 0.73 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1x86 h ALA 884 CO -0.05 0.74 0.23 0.00 0.00 0.00 0.00 179.25 180.18 1x86 h ALA 885 N 0.83 0.52 0.00 0.00 0.00 0.93 -2.11 119.26 119.42 1x86 h ALA 885 Ca -0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1x86 h ALA 885 Cb 1.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1x86 h ALA 885 CO 0.14 -0.10 -0.08 1.79 0.00 0.00 0.00 179.25 180.99 1x86 h THR 886 N 0.47 1.62 -0.78 0.00 1.35 -0.99 -2.59 112.91 111.99 1x86 h THR 886 Ca 0.17 -1.94 0.09 0.00 -0.55 0.00 0.00 66.41 64.17 1x86 h THR 886 Cb 0.02 2.92 -0.07 0.00 -1.73 0.00 0.00 68.15 69.29 1x86 h THR 886 CO -0.09 0.51 0.44 0.15 -0.25 0.00 0.00 175.52 176.28 1x86 h PHE 887 N -0.73 0.79 0.02 4.73 3.57 -1.50 -3.01 116.94 120.82 1x86 h PHE 887 Ca -0.01 0.03 -0.21 0.00 3.53 0.00 0.00 57.97 61.31 1x86 h PHE 887 Cb 0.88 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1x86 h PHE 887 CO 0.21 0.33 -0.99 0.00 -2.23 0.00 0.00 178.31 175.63 1x86 n SER 889 N -3.44 0.23 -0.94 0.00 3.41 -0.98 -2.57 113.62 109.34 1x86 n SER 889 Ca -0.02 -1.11 0.12 0.00 -0.26 0.00 0.00 58.87 57.61 1x86 n SER 889 Cb 0.91 -0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.96 1x86 n SER 889 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1x86 n ASN 890 N -0.80 2.95 -0.02 4.04 2.85 -1.15 -4.77 115.26 118.36 1x86 n ASN 890 Ca 0.23 -1.97 -0.13 0.00 -0.11 0.00 0.00 54.58 52.59 1x86 n ASN 890 Cb 0.14 -0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.06 1x86 n ASN 890 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1x86 h GLN 891 N 4.57 0.02 0.00 1.20 -0.00 -1.60 0.49 115.11 119.79 1x86 h GLN 891 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1x86 h GLN 891 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.45 1x86 h GLN 891 CO 0.00 0.53 -0.07 -0.35 0.00 0.00 0.00 178.83 178.94 1x86 n PRO 892 N -4.82 0.21 -0.29 -2.39 -0.04 -1.26 -1.75 135.00 124.65 1x86 n PRO 892 Ca -0.08 0.15 -0.04 0.00 -0.04 0.00 0.00 63.50 63.49 1x86 n PRO 892 Cb 0.27 -1.72 0.07 0.00 -0.04 0.00 0.00 33.50 32.08 1x86 n PRO 892 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1x86 h PHE 893 N 0.00 1.02 0.01 0.54 0.04 -1.67 -3.11 116.94 113.77 1x86 h PHE 893 Ca 0.00 0.02 -0.31 0.00 2.80 0.00 0.00 57.97 60.48 1x86 h PHE 893 Cb 0.69 -0.34 -0.05 0.00 2.20 0.00 0.00 35.95 38.44 1x86 h PHE 893 CO 0.00 0.65 -1.82 0.00 -0.60 0.00 0.00 178.31 176.54 1x86 n ALA 894 N -2.33 1.46 0.11 2.45 0.00 0.16 -3.75 120.51 118.61 1x86 n ALA 894 Ca 0.08 -0.83 0.03 0.00 0.00 0.00 0.00 53.44 52.72 1x86 n ALA 894 Cb 0.03 -0.75 0.42 0.00 0.00 0.00 0.00 19.45 19.15 1x86 n ALA 894 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1x86 h LEU 895 N 0.00 0.26 -0.11 0.00 3.38 -1.42 -2.17 115.31 115.25 1x86 h LEU 895 Ca -0.33 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1x86 h LEU 895 Cb 2.04 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.72 1x86 h LEU 895 CO 0.07 0.34 0.07 -0.08 0.09 0.00 0.00 178.44 178.93 1x86 h GLU 896 N 0.28 0.15 -0.93 1.13 4.81 -1.65 -2.89 114.58 115.48 1x86 h GLU 896 Ca 0.06 -0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.42 1x86 h GLU 896 Cb 0.24 -0.03 -0.14 0.00 0.63 0.00 0.00 28.75 29.44 1x86 h GLU 896 CO 0.01 0.10 -0.43 1.98 -0.73 0.00 0.00 179.01 179.94 1x86 h MET 897 N 0.15 -0.03 -0.45 1.92 4.05 -1.49 0.71 114.93 119.79 1x86 h MET 897 Ca 0.04 0.00 -0.07 0.00 -0.28 0.00 0.00 59.70 59.39 1x86 h MET 897 Cb -0.02 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 30.77 1x86 h MET 897 CO -0.01 -0.02 -0.02 0.82 0.23 0.00 0.00 176.91 177.91 1x86 h ILE 898 N -0.03 1.24 -0.00 1.77 2.04 -1.39 0.52 117.51 121.66 1x86 h ILE 898 Ca 0.29 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 1x86 h ILE 898 Cb 0.55 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1x86 h ILE 898 CO -0.93 0.35 0.00 0.11 0.00 0.00 0.00 178.15 177.68 1x86 h LYS 899 N 0.70 0.01 -0.34 2.37 1.57 -1.21 -2.64 116.57 117.03 1x86 h LYS 899 Ca 0.14 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1x86 h LYS 899 Cb 0.45 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1x86 h LYS 899 CO 0.02 0.12 0.00 0.45 -0.57 0.00 0.00 179.45 179.47 1x86 n SER 900 N -5.03 0.86 0.00 0.86 2.88 0.24 -0.03 113.62 113.41 1x86 n SER 900 Ca -0.07 -2.04 0.00 0.00 -1.33 0.00 0.00 58.87 55.43 1x86 n SER 900 Cb 0.08 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 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 -0.12 1.24 0.20 -1.46 5.12 0.15 -4.06 116.66 117.73 1x86 n ARG 901 Ca 0.04 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.09 1x86 n ARG 901 Cb 0.17 -0.86 0.71 0.00 -1.16 0.00 0.00 32.46 31.32 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 0.00 0.00 0.00 5.56 4.20 -1.34 -0.74 115.11 122.79 1x86 h GLN 902 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1x86 h GLN 902 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1x86 h GLN 902 CO 0.00 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.79 1x86 n LYS 903 N -2.41 0.00 -1.06 1.46 5.02 0.96 -4.70 118.16 117.43 1x86 n LYS 903 Ca -0.02 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 1x86 n LYS 903 Cb 0.04 -0.44 0.12 0.00 -0.02 0.00 0.00 35.03 34.73 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 -0.28 2.14 -2.98 1.97 4.76 -1.19 -4.55 118.16 118.02 1x86 n LYS 904 Ca 0.00 -2.52 -0.06 0.00 -2.87 0.00 0.00 58.31 52.86 1x86 n LYS 904 Cb 0.00 -1.99 -0.01 0.00 -1.84 0.00 0.00 35.03 31.19 1x86 n LYS 904 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1x86 s ASP 905 N -0.95 -1.01 0.20 4.39 -1.08 -0.29 -4.99 116.67 112.93 1x86 s ASP 905 Ca 0.49 -1.60 -0.20 0.00 -0.52 0.00 0.00 52.55 50.72 1x86 s ASP 905 Cb 0.40 1.60 0.15 0.00 -1.46 0.00 0.00 42.92 43.61 1x86 s ASP 905 CO 0.06 -0.11 1.58 0.28 0.52 0.00 0.00 175.17 177.50 1x86 h SER 906 N 5.74 -1.16 -0.74 -0.34 0.02 -1.80 0.17 113.55 115.45 1x86 h SER 906 Ca 0.08 0.24 0.15 0.00 -0.84 0.00 0.00 61.79 61.41 1x86 h SER 906 Cb 1.11 0.59 -0.10 0.00 0.14 0.00 0.00 62.40 64.14 1x86 h SER 906 CO 0.08 -0.30 0.26 -0.09 -1.14 0.00 0.00 176.83 175.64 1x86 h ARG 907 N -0.13 0.37 0.19 3.45 2.43 -1.95 0.66 114.38 119.40 1x86 h ARG 907 Ca 0.26 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.40 1x86 h ARG 907 Cb 0.56 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1x86 h ARG 907 CO -0.72 0.25 -0.13 0.35 -1.51 0.00 0.00 179.97 178.20 1x86 h PHE 908 N 0.38 -0.36 -1.12 2.20 3.57 -1.03 -0.46 116.94 120.13 1x86 h PHE 908 Ca 0.41 -0.00 0.31 0.00 3.53 0.00 0.00 57.97 62.22 1x86 h PHE 908 Cb 0.64 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 39.44 1x86 h PHE 908 CO -0.19 -0.19 0.76 0.37 -2.23 0.00 0.00 178.31 176.82 1x86 h GLN 909 N -0.30 0.20 0.56 1.11 4.15 0.58 0.70 115.11 122.10 1x86 h GLN 909 Ca -0.02 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.36 1x86 h GLN 909 Cb 0.25 -0.05 0.01 0.00 0.21 0.00 0.00 27.48 27.90 1x86 h GLN 909 CO 0.01 0.13 -0.27 1.15 -1.93 0.00 0.00 178.83 177.93 1x86 h THR 910 N 0.21 0.44 -0.67 2.39 2.02 0.44 -2.61 112.91 115.13 1x86 h THR 910 Ca 0.60 -0.06 0.08 0.00 0.77 0.00 0.00 66.41 67.79 1x86 h THR 910 Cb 1.89 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 68.71 1x86 h THR 910 CO -0.18 0.01 0.34 0.15 0.37 0.00 0.00 175.52 176.20 1x86 h PHE 911 N -0.79 0.61 -0.28 3.16 3.57 0.20 -2.33 116.94 121.08 1x86 h PHE 911 Ca -0.08 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.45 1x86 h PHE 911 Cb 0.59 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 1x86 h PHE 911 CO -0.03 0.25 0.16 0.28 -2.23 0.00 0.00 178.31 176.74 1x86 h VAL 912 N 0.60 1.11 0.00 1.41 2.07 -0.87 -1.52 116.25 119.04 1x86 h VAL 912 Ca 0.32 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 1x86 h VAL 912 Cb 0.29 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1x86 h VAL 912 CO -0.23 0.10 -0.21 -0.61 0.02 0.00 0.00 177.57 176.64 1x86 h GLN 913 N 0.35 0.00 0.74 1.57 4.15 -1.22 -1.84 115.11 118.86 1x86 h GLN 913 Ca 0.10 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.48 1x86 h GLN 913 Cb 0.02 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.72 1x86 h GLN 913 CO -0.02 0.21 -0.36 0.22 -1.93 0.00 0.00 178.83 176.96 1x86 h ASP 914 N 0.00 -0.84 -0.56 -0.69 1.82 -0.77 -3.18 116.42 112.20 1x86 h ASP 914 Ca -0.00 0.03 0.11 0.00 -0.39 0.00 0.00 57.03 56.78 1x86 h ASP 914 Cb 0.54 0.22 -0.11 0.00 0.68 0.00 0.00 39.33 40.65 1x86 h ASP 914 CO 0.03 -0.52 -0.19 0.00 -1.61 0.00 0.00 179.24 176.95 1x86 h ALA 915 N -1.38 0.28 -0.23 -0.78 0.00 -1.02 -1.45 119.26 114.68 1x86 h ALA 915 Ca -0.10 0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.08 1x86 h ALA 915 Cb 0.76 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1x86 h ALA 915 CO 0.17 -0.49 0.20 0.93 0.00 0.00 0.00 179.25 180.06 1x86 h GLU 916 N -0.05 0.00 -0.01 0.00 5.08 -1.42 0.18 114.58 118.36 1x86 h GLU 916 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1x86 h GLU 916 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1x86 h GLU 916 CO -0.60 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.28 1x86 n SER 917 N -4.06 0.69 -4.67 1.42 3.41 -0.55 -4.47 113.62 105.39 1x86 n SER 917 Ca 0.03 -1.26 -0.42 0.00 -0.26 0.00 0.00 58.87 56.96 1x86 n SER 917 Cb 0.34 -0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.96 6.72 0.59 4.04 3.84 0.62 -4.91 114.94 123.87 1x86 s ASN 918 Ca 0.42 2.22 0.29 0.00 0.21 0.00 0.00 52.86 56.00 1x86 s ASN 918 Cb 0.21 -2.55 1.42 0.00 -0.55 0.00 0.00 41.25 39.79 1x86 s ASN 918 CO 0.34 -0.86 1.82 -0.65 -2.79 0.00 0.00 177.10 174.97 1x86 h PRO 919 N 8.80 0.00 0.00 0.43 0.11 -1.87 0.17 132.00 139.64 1x86 h PRO 919 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1x86 h PRO 919 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1x86 h PRO 919 CO 0.94 0.00 0.06 1.28 -0.21 0.00 0.00 178.00 180.07 1x86 n LEU 920 N -3.70 0.21 -0.00 2.35 4.77 -1.26 -2.09 117.00 117.28 1x86 n LEU 920 Ca 0.11 0.56 -0.12 0.00 -0.03 0.00 0.00 56.01 56.53 1x86 n LEU 920 Cb 0.81 -0.58 -0.14 0.00 -2.33 0.00 0.00 43.42 41.18 1x86 n LEU 920 CO 0.28 -0.63 -0.56 0.00 -1.33 0.00 0.00 177.39 175.15 1x86 n ARG 922 N -3.20 -4.94 -1.33 0.00 1.74 -0.89 -2.71 116.66 105.33 1x86 n ARG 922 Ca -0.20 0.76 -0.12 0.00 -0.77 0.00 0.00 57.85 57.52 1x86 n ARG 922 Cb 1.05 -5.46 -0.05 0.00 -1.02 0.00 0.00 32.46 26.97 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 -3.60 -1.31 -2.86 5.56 3.00 -1.26 -4.91 116.66 111.28 1x86 n ARG 923 Ca -0.21 0.72 -0.42 0.00 -0.01 0.00 0.00 57.85 57.94 1x86 n ARG 923 Cb 0.64 -4.93 -0.04 0.00 0.00 0.00 0.00 32.46 28.13 1x86 n ARG 923 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1x86 s LEU 924 N -3.50 4.17 0.78 0.55 1.43 -1.10 -5.04 118.68 115.97 1x86 s LEU 924 Ca 0.00 1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 54.20 1x86 s LEU 924 Cb 0.00 -3.27 0.06 0.00 0.03 0.00 0.00 46.19 43.00 1x86 s LEU 924 CO 0.00 -0.42 1.09 -1.10 0.23 0.00 0.00 176.35 176.15 1x86 s GLN 925 N 2.20 2.24 0.55 1.70 -0.21 -1.26 -4.83 119.66 120.05 1x86 s GLN 925 Ca 0.39 1.06 0.25 0.00 0.02 0.00 0.00 55.36 57.08 1x86 s GLN 925 Cb -0.17 -1.90 1.46 0.00 1.00 0.00 0.00 33.01 33.40 1x86 s GLN 925 CO 0.12 -1.63 2.06 1.25 -2.12 0.00 0.00 175.29 174.97 1x86 h LEU 926 N -1.11 0.00 -1.15 2.90 5.85 -1.96 -0.20 115.31 119.65 1x86 h LEU 926 Ca -0.44 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 1x86 h LEU 926 Cb 1.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1x86 h LEU 926 CO 0.53 0.00 -0.34 0.07 -0.34 0.00 0.00 178.44 178.36 1x86 h LYS 927 N 0.00 0.15 0.11 1.25 2.10 -1.96 -2.60 116.57 115.62 1x86 h LYS 927 Ca 0.15 -0.06 -0.26 0.00 -2.00 0.00 0.00 60.65 58.47 1x86 h LYS 927 Cb 0.65 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.97 1x86 h LYS 927 CO -0.00 0.48 -1.20 -0.44 -2.00 0.00 0.00 179.45 176.28 1x86 h ASP 928 N 0.13 0.36 1.92 7.07 3.45 -1.39 -3.26 116.42 124.69 1x86 h ASP 928 Ca 0.02 -0.38 -0.01 0.00 0.43 0.00 0.00 57.03 57.08 1x86 h ASP 928 Cb 0.67 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.33 1x86 h ASP 928 CO 0.05 1.30 -0.05 0.40 -1.57 0.00 0.00 179.24 179.36 1x86 h ILE 929 N 0.06 0.09 -0.05 0.35 2.04 -1.44 -3.39 117.51 115.17 1x86 h ILE 929 Ca -0.11 -1.11 -0.10 0.00 1.00 0.00 0.00 64.86 64.53 1x86 h ILE 929 Cb 1.94 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 40.04 1x86 h ILE 929 CO 0.19 0.05 -0.42 0.40 0.00 0.00 0.00 178.15 178.37 1x86 h ILE 930 N 0.00 1.31 -0.25 -0.67 2.04 -1.51 -3.22 117.51 115.21 1x86 h ILE 930 Ca -0.00 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1x86 h ILE 930 Cb 1.03 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.85 1x86 h ILE 930 CO 0.01 0.44 0.00 -0.81 0.00 0.00 0.00 178.15 177.79 1x86 n PRO 931 N -4.02 2.40 0.32 2.37 -0.04 -1.26 -4.56 135.00 130.20 1x86 n PRO 931 Ca -0.02 -2.14 0.20 0.00 -0.04 0.00 0.00 63.50 61.50 1x86 n PRO 931 Cb 0.47 -1.49 1.06 0.00 -0.04 0.00 0.00 33.50 33.50 1x86 n PRO 931 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1x86 h THR 932 N 4.49 0.16 -0.34 0.52 1.35 -1.80 0.46 112.91 117.75 1x86 h THR 932 Ca 0.00 -0.11 0.01 0.00 -0.55 0.00 0.00 66.41 65.76 1x86 h THR 932 Cb 0.98 1.09 -0.02 0.00 -1.73 0.00 0.00 68.15 68.47 1x86 h THR 932 CO 0.00 0.01 0.23 -0.61 -0.25 0.00 0.00 175.52 174.90 1x86 h GLN 933 N 0.00 0.42 0.01 4.72 5.75 -1.85 0.85 115.11 125.01 1x86 h GLN 933 Ca -0.00 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1x86 h GLN 933 Cb 0.09 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1x86 h GLN 933 CO 0.00 0.28 -0.01 0.00 -2.65 0.00 0.00 178.83 176.45 1x86 h MET 934 N 0.43 -0.02 -0.89 1.69 -0.00 -0.43 -2.92 114.93 112.79 1x86 h MET 934 Ca 0.13 0.00 0.16 0.00 -0.00 0.00 0.00 59.70 59.99 1x86 h MET 934 Cb -0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 31.53 1x86 h MET 934 CO -0.03 0.57 0.58 1.96 -0.00 0.00 0.00 176.91 179.99 1x86 h GLN 935 N -0.62 0.59 -0.62 -0.10 4.20 -0.89 0.89 115.11 118.55 1x86 h GLN 935 Ca -0.00 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 1x86 h GLN 935 Cb 0.60 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1x86 h GLN 935 CO 0.00 0.39 0.02 -0.09 -0.67 0.00 0.00 178.83 178.48 1x86 h ARG 936 N 0.61 1.08 0.00 1.46 9.65 0.66 -2.93 114.38 124.91 1x86 h ARG 936 Ca 0.46 -0.34 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 1x86 h ARG 936 Cb 0.86 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1x86 h ARG 936 CO -0.21 1.04 -0.05 -0.07 2.80 0.00 0.00 179.97 183.49 1x86 h LEU 937 N 0.99 0.00 -0.28 3.80 4.07 -0.62 -2.57 115.31 120.70 1x86 h LEU 937 Ca 0.18 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.93 1x86 h LEU 937 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1x86 h LEU 937 CO 0.03 0.05 -0.82 0.71 -1.08 0.00 0.00 178.44 177.33 1x86 h THR 938 N 0.00 1.37 -0.03 0.22 1.35 -1.31 -3.24 112.91 111.26 1x86 h THR 938 Ca -0.00 -2.22 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 1x86 h THR 938 Cb 0.33 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 1x86 h THR 938 CO 0.01 0.67 0.00 0.29 -0.25 0.00 0.00 175.52 176.24 1x86 n LYS 939 N -3.82 1.13 -0.05 4.72 4.76 -0.97 -3.98 118.16 119.95 1x86 n LYS 939 Ca -0.06 -0.20 -0.01 0.00 -2.87 0.00 0.00 58.31 55.17 1x86 n LYS 939 Cb 0.76 -1.26 -0.00 0.00 -1.84 0.00 0.00 35.03 32.69 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 0.39 0.00 -0.88 2.13 0.05 -1.64 -2.65 116.97 114.36 1x86 h TYR 940 Ca 0.00 0.00 0.24 0.00 0.05 0.00 0.00 58.73 59.02 1x86 h TYR 940 Cb 0.09 0.00 -0.15 0.00 1.01 0.00 0.00 36.73 37.68 1x86 h TYR 940 CO 0.02 0.00 0.16 -1.35 -1.05 0.00 0.00 178.16 175.94 1x86 h PRO 941 N -0.93 0.14 -0.34 4.88 0.11 -1.78 -1.99 132.00 132.09 1x86 h PRO 941 Ca 0.00 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.15 1x86 h PRO 941 Cb 0.11 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.15 1x86 h PRO 941 CO 0.00 0.09 0.08 -0.07 -0.21 0.00 0.00 178.00 177.89 1x86 h LEU 942 N 0.14 0.05 -0.21 2.35 3.38 -1.70 -0.95 115.31 118.37 1x86 h LEU 942 Ca 0.54 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.53 1x86 h LEU 942 Cb 1.10 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1x86 h LEU 942 CO -0.71 0.06 -0.02 -0.07 0.09 0.00 0.00 178.44 177.79 1x86 h LEU 943 N 0.21 0.37 -1.49 1.67 3.38 -1.02 -2.65 115.31 115.77 1x86 h LEU 943 Ca 0.16 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 1x86 h LEU 943 Cb 0.16 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1x86 h LEU 943 CO -0.19 0.61 -0.26 -0.07 0.09 0.00 0.00 178.44 178.62 1x86 h LEU 944 N 0.13 0.00 0.27 1.67 4.07 -1.25 0.25 115.31 120.45 1x86 h LEU 944 Ca 0.06 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.00 1x86 h LEU 944 Cb 0.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1x86 h LEU 944 CO 0.01 0.26 -0.13 0.44 -1.08 0.00 0.00 178.44 177.94 1x86 h ASP 945 N 0.00 -0.31 0.01 -0.43 3.32 -1.08 -1.16 116.42 116.77 1x86 h ASP 945 Ca -0.00 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.85 1x86 h ASP 945 Cb 0.52 0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1x86 h ASP 945 CO 0.03 0.06 -0.00 0.78 -1.72 0.00 0.00 179.24 178.39 1x86 h ASN 946 N -0.72 0.00 0.74 6.45 4.21 -1.11 0.57 115.58 125.72 1x86 h ASN 946 Ca -0.04 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.44 1x86 h ASN 946 Cb 0.49 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.70 1x86 h ASN 946 CO 0.06 0.00 -0.36 0.40 -1.29 0.00 0.00 177.43 176.25 1x86 h ILE 947 N 0.00 0.09 -0.90 2.81 2.04 -0.34 -3.23 117.51 117.99 1x86 h ILE 947 Ca -0.00 -0.23 0.13 0.00 1.00 0.00 0.00 64.86 65.76 1x86 h ILE 947 Cb 0.01 0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 36.12 1x86 h ILE 947 CO 0.00 0.01 0.52 0.00 0.00 0.00 0.00 178.15 178.68 1x86 h ALA 948 N -1.12 1.35 -0.50 1.87 0.00 0.32 -1.15 119.26 120.02 1x86 h ALA 948 Ca -0.10 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1x86 h ALA 948 Cb 0.78 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 1x86 h ALA 948 CO 0.17 0.05 -0.50 -0.22 0.00 0.00 0.00 179.25 178.75 1x86 h LYS 949 N 0.78 -0.30 -0.05 0.00 3.64 -0.06 -1.09 116.57 119.50 1x86 h LYS 949 Ca 0.46 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 1x86 h LYS 949 Cb 0.55 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1x86 h LYS 949 CO -0.31 -0.20 0.00 0.66 -2.27 0.00 0.00 179.45 177.33 1x86 n TYR 950 N -5.39 0.05 -3.00 1.91 4.01 -0.77 -4.74 117.16 109.23 1x86 n TYR 950 Ca -0.01 -0.03 -0.40 0.00 -0.16 0.00 0.00 57.90 57.30 1x86 n TYR 950 Cb 0.34 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.33 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 -1.95 4.98 -0.45 -0.72 2.01 -0.41 -4.59 115.64 114.50 1x86 s THR 951 Ca 0.37 1.45 0.04 0.00 0.31 0.00 0.00 61.69 63.86 1x86 s THR 951 Cb 0.19 -4.05 0.06 0.00 0.01 0.00 0.00 72.50 68.71 1x86 s THR 951 CO 0.31 0.13 0.77 -1.84 -0.69 0.00 0.00 174.62 173.29 1x86 n GLU 952 N 4.68 0.57 -3.44 4.92 0.28 -1.26 -4.87 120.64 121.51 1x86 n GLU 952 Ca 0.01 -1.02 -0.44 0.00 -0.16 0.00 0.00 57.16 55.55 1x86 n GLU 952 Cb 0.50 -1.08 -0.05 0.00 1.43 0.00 0.00 31.44 32.24 1x86 n GLU 952 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1x86 s TRP 953 N -0.53 3.61 0.04 -1.84 0.52 -1.26 -5.00 118.94 114.48 1x86 s TRP 953 Ca 0.06 -2.12 -0.03 0.00 0.02 0.00 0.00 56.10 54.03 1x86 s TRP 953 Cb 0.04 -3.64 0.04 0.00 -1.15 0.00 0.00 33.47 28.76 1x86 s TRP 953 CO 0.05 -0.95 0.27 -2.30 0.02 0.00 0.00 176.95 174.04 1x86 n PRO 954 N 4.01 -0.04 -0.35 4.98 -0.02 -1.26 -1.48 135.00 140.84 1x86 n PRO 954 Ca 0.09 0.27 -0.01 0.00 -2.02 0.00 0.00 63.50 61.82 1x86 n PRO 954 Cb 0.44 -0.39 0.15 0.00 -0.02 0.00 0.00 33.50 33.67 1x86 n PRO 954 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1x86 h THR 955 N 0.00 1.22 0.44 3.45 2.02 -2.00 0.40 112.91 118.44 1x86 h THR 955 Ca 0.06 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.78 1x86 h THR 955 Cb 0.10 -0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.36 1x86 h THR 955 CO -0.17 0.23 -0.21 -0.08 0.37 0.00 0.00 175.52 175.66 1x86 h GLU 956 N 1.27 -0.56 -0.88 6.66 4.57 -1.70 -3.34 114.58 120.60 1x86 h GLU 956 Ca 0.36 0.04 0.25 0.00 -1.18 0.00 0.00 59.36 58.83 1x86 h GLU 956 Cb -0.11 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.58 1x86 h GLU 956 CO -0.09 -0.37 0.63 -0.09 -1.18 0.00 0.00 179.01 177.91 1x86 h ARG 957 N -1.15 0.01 -0.07 1.92 2.43 -1.10 0.46 114.38 116.87 1x86 h ARG 957 Ca -0.06 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.01 1x86 h ARG 957 Cb 0.46 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1x86 h ARG 957 CO 0.10 0.01 -0.39 0.93 -1.51 0.00 0.00 179.97 179.11 1x86 h GLU 958 N 0.01 0.16 0.12 0.20 5.08 -0.35 -0.51 114.58 119.28 1x86 h GLU 958 Ca 0.42 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1x86 h GLU 958 Cb 1.66 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.90 1x86 h GLU 958 CO -0.01 0.52 -0.06 0.87 -1.00 0.00 0.00 179.01 179.34 1x86 h LYS 959 N 0.13 -0.16 -0.26 2.33 1.57 -0.22 -2.38 116.57 117.60 1x86 h LYS 959 Ca 0.01 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1x86 h LYS 959 Cb 0.75 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1x86 h LYS 959 CO 0.06 0.22 0.18 0.28 -0.57 0.00 0.00 179.45 179.62 1x86 h VAL 960 N -0.56 0.93 -0.01 0.50 2.07 -1.23 0.44 116.25 118.39 1x86 h VAL 960 Ca -0.02 -0.04 -0.22 0.00 0.82 0.00 0.00 66.70 67.25 1x86 h VAL 960 Cb 0.45 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1x86 h VAL 960 CO 0.03 0.02 -0.91 0.11 0.02 0.00 0.00 177.57 176.83 1x86 h LYS 961 N 0.11 0.38 0.03 1.57 1.57 -1.15 -3.00 116.57 116.08 1x86 h LYS 961 Ca 0.12 -0.40 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1x86 h LYS 961 Cb 0.33 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1x86 h LYS 961 CO -0.01 1.08 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.71 1x86 h LYS 962 N 0.22 -0.04 -0.91 3.15 3.64 0.32 -1.28 116.57 121.67 1x86 h LYS 962 Ca -0.07 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.49 1x86 h LYS 962 Cb 1.54 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 33.20 1x86 h LYS 962 CO 0.16 -0.03 -0.25 0.00 -2.27 0.00 0.00 179.45 177.06 1x86 n ALA 963 N -2.02 0.16 -0.34 5.00 0.00 0.17 0.29 120.51 123.76 1x86 n ALA 963 Ca -0.01 0.99 0.19 0.00 0.00 0.00 0.00 53.44 54.61 1x86 n ALA 963 Cb 0.02 -0.57 0.42 0.00 0.00 0.00 0.00 19.45 19.31 1x86 n ALA 963 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x86 h ALA 964 N 1.73 1.88 0.93 0.00 0.00 -1.40 -1.10 119.26 121.29 1x86 h ALA 964 Ca 0.42 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.41 1x86 h ALA 964 Cb 0.65 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1x86 h ALA 964 CO -0.93 -0.36 -0.44 0.22 0.00 0.00 0.00 179.25 177.73 1x86 h ASP 965 N 0.52 -1.05 0.17 0.00 3.58 0.55 -3.25 116.42 116.93 1x86 h ASP 965 Ca 0.65 0.04 -0.02 0.00 0.42 0.00 0.00 57.03 58.11 1x86 h ASP 965 Cb 1.33 0.27 -0.00 0.00 1.72 0.00 0.00 39.33 42.65 1x86 h ASP 965 CO -0.47 -0.75 -0.12 0.45 -2.88 0.00 0.00 179.24 175.47 1x86 h HIS 966 N -1.25 0.00 0.00 0.28 3.86 -0.54 0.40 115.15 117.90 1x86 h HIS 966 Ca -0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.08 1x86 h HIS 966 Cb 0.95 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.42 1x86 h HIS 966 CO -0.01 0.12 0.00 0.00 0.86 0.00 0.00 177.93 178.90 1x86 h ARG 968 N 0.00 0.10 -0.87 0.00 3.08 -0.96 -2.96 114.38 112.77 1x86 h ARG 968 Ca 0.00 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 1x86 h ARG 968 Cb 0.34 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1x86 h ARG 968 CO 0.00 0.82 0.53 1.96 -1.07 0.00 0.00 179.97 182.21 1x86 h GLN 969 N 0.03 1.18 -0.24 0.04 4.20 -0.88 0.43 115.11 119.87 1x86 h GLN 969 Ca -0.26 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.34 1x86 h GLN 969 Cb 1.99 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 29.51 1x86 h GLN 969 CO 0.11 0.82 0.13 0.82 -0.67 0.00 0.00 178.83 180.04 1x86 h ILE 970 N 1.20 1.11 0.00 2.54 2.04 -1.11 -1.49 117.51 121.81 1x86 h ILE 970 Ca 0.31 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1x86 h ILE 970 Cb -0.05 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1x86 h ILE 970 CO -0.06 0.11 0.00 0.18 0.00 0.00 0.00 178.15 178.38 1x86 n LEU 971 N -4.86 0.00 -0.01 1.44 4.77 -0.83 -1.83 117.00 115.68 1x86 n LEU 971 Ca -0.03 0.47 0.08 0.00 -0.03 0.00 0.00 56.01 56.50 1x86 n LEU 971 Cb 0.07 -0.47 -0.15 0.00 -2.33 0.00 0.00 43.42 40.54 1x86 n LEU 971 CO 0.35 -0.22 -0.74 0.59 -1.33 0.00 0.00 177.39 176.03 1x86 n ASN 972 N -1.47 0.09 0.09 -1.43 3.02 0.08 -2.49 115.26 113.16 1x86 n ASN 972 Ca 0.04 0.04 -0.12 0.00 -0.03 0.00 0.00 54.58 54.51 1x86 n ASN 972 Cb 0.17 1.67 -0.12 0.00 -0.61 0.00 0.00 39.78 40.89 1x86 n ASN 972 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1x86 h PHE 973 N 0.00 0.32 0.00 3.10 3.57 -0.87 -2.41 116.94 120.64 1x86 h PHE 973 Ca -0.09 -0.23 -0.18 0.00 3.53 0.00 0.00 57.97 61.01 1x86 h PHE 973 Cb 1.20 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 1x86 h PHE 973 CO 0.00 1.17 -1.55 0.28 -2.23 0.00 0.00 178.31 175.98 1x86 n VAL 974 N -3.49 1.15 -0.03 1.41 0.31 -0.76 -1.25 118.33 115.68 1x86 n VAL 974 Ca -0.05 -0.70 0.04 0.00 -0.01 0.00 0.00 64.34 63.62 1x86 n VAL 974 Cb 0.98 -0.69 0.41 0.00 -0.91 0.00 0.00 33.84 33.63 1x86 n VAL 974 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1x86 h ASN 975 N 0.00 0.51 0.25 4.52 -1.24 -1.58 -3.13 115.58 114.91 1x86 h ASN 975 Ca -0.19 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 56.79 1x86 h ASN 975 Cb 1.63 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.55 1x86 h ASN 975 CO 0.04 0.37 -0.12 -0.61 -1.29 0.00 0.00 177.43 175.82 1x86 h GLN 976 N 0.60 -0.33 -0.51 6.67 5.75 -1.13 -2.94 115.11 123.23 1x86 h GLN 976 Ca 0.17 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.79 1x86 h GLN 976 Cb -0.04 0.07 -0.10 0.00 1.07 0.00 0.00 27.48 28.48 1x86 h GLN 976 CO -0.04 0.03 -0.31 0.00 -2.65 0.00 0.00 178.83 175.86 1x86 h ALA 977 N -0.26 -0.06 -0.60 3.38 0.00 -1.24 -1.83 119.26 118.65 1x86 h ALA 977 Ca -0.03 0.15 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1x86 h ALA 977 Cb 0.51 0.71 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 1x86 h ALA 977 CO 0.06 -0.67 0.17 0.28 0.00 0.00 0.00 179.25 179.09 1x86 h VAL 978 N -0.18 0.70 -0.67 0.00 2.07 -1.60 0.21 116.25 116.77 1x86 h VAL 978 Ca 0.21 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.67 1x86 h VAL 978 Cb 0.53 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1x86 h VAL 978 CO -0.61 0.06 0.45 0.50 0.02 0.00 0.00 177.57 177.98 1x86 h LYS 979 N 0.32 0.71 -0.09 1.57 3.64 -1.17 -2.37 116.57 119.18 1x86 h LYS 979 Ca 0.31 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.48 1x86 h LYS 979 Cb 0.43 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1x86 h LYS 979 CO -0.36 0.47 -0.66 0.93 -2.27 0.00 0.00 179.45 177.56 1x86 h GLU 980 N 0.73 0.36 -0.03 1.90 5.08 0.08 -2.09 114.58 120.61 1x86 h GLU 980 Ca 0.28 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 58.23 1x86 h GLU 980 Cb 0.20 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1x86 h GLU 980 CO -0.09 0.90 -0.54 0.00 -1.00 0.00 0.00 179.01 178.28 1x86 h ALA 981 N 1.03 0.11 0.02 3.43 0.00 -0.79 -2.26 119.26 120.80 1x86 h ALA 981 Ca -0.02 -0.54 -0.21 0.00 0.00 0.00 0.00 54.91 54.15 1x86 h ALA 981 Cb 1.21 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1x86 h ALA 981 CO 0.11 0.33 -0.96 0.93 0.00 0.00 0.00 179.25 179.66 1x86 h GLU 982 N -0.07 0.12 -0.19 0.00 5.08 -1.60 -2.93 114.58 114.98 1x86 h GLU 982 Ca -0.06 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.18 1x86 h GLU 982 Cb 1.23 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.46 1x86 h GLU 982 CO 0.11 0.99 -0.50 -0.91 -1.00 0.00 0.00 179.01 177.69 1x86 h ASN 983 N 0.05 -1.60 -0.41 1.42 4.21 -1.37 -0.85 115.58 117.04 1x86 h ASN 983 Ca -0.04 0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.66 1x86 h ASN 983 Cb 1.64 0.64 -0.02 0.00 -1.12 0.00 0.00 38.32 39.46 1x86 h ASN 983 CO 0.14 -0.45 0.22 0.50 -1.29 0.00 0.00 177.43 176.55 1x86 h LYS 984 N -0.52 0.57 0.07 0.81 1.63 -1.39 -2.88 116.57 114.86 1x86 h LYS 984 Ca 0.06 -0.07 0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1x86 h LYS 984 Cb 0.65 -0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.12 1x86 h LYS 984 CO -0.46 0.46 -0.51 0.37 -3.45 0.00 0.00 179.45 175.87 1x86 h GLN 985 N 0.53 -0.66 0.00 1.90 5.75 -1.32 -3.17 115.11 118.15 1x86 h GLN 985 Ca 0.14 0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1x86 h GLN 985 Cb 0.06 0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.76 1x86 h GLN 985 CO -0.02 -0.44 0.00 0.00 -2.65 0.00 0.00 178.83 175.72 1x86 h ARG 986 N -0.69 0.00 0.00 1.69 3.08 -1.09 -2.42 114.38 114.95 1x86 h ARG 986 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1x86 h ARG 986 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1x86 h ARG 986 CO -0.30 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 179.88 1x86 n LEU 987 N -2.70 0.80 0.07 3.04 4.77 -1.09 -0.78 117.00 121.11 1x86 n LEU 987 Ca 0.03 0.61 -0.20 0.00 -0.03 0.00 0.00 56.01 56.43 1x86 n LEU 987 Cb 0.38 -0.41 -0.15 0.00 -2.33 0.00 0.00 43.42 40.92 1x86 n LEU 987 CO 0.28 -0.33 -0.41 -0.33 -1.33 0.00 0.00 177.39 175.27 1x86 h GLU 988 N 0.00 0.33 0.00 3.23 5.08 -1.46 -0.62 114.58 121.13 1x86 h GLU 988 Ca 0.00 -0.56 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1x86 h GLU 988 Cb 0.61 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1x86 h GLU 988 CO 0.00 1.21 0.00 -3.47 -1.00 0.00 0.00 179.01 175.75 1x86 n ASP 989 N -3.52 0.06 -0.05 1.42 2.03 -0.89 -1.18 116.55 114.42 1x86 n ASP 989 Ca -0.20 0.52 -0.09 0.00 0.52 0.00 0.00 54.79 55.54 1x86 n ASP 989 Cb 1.06 -0.53 -0.04 0.00 -0.72 0.00 0.00 41.12 40.89 1x86 n ASP 989 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1x86 n TYR 990 N -1.57 0.00 -0.30 -0.67 4.01 0.04 -4.33 117.16 114.34 1x86 n TYR 990 Ca 0.02 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.88 1x86 n TYR 990 Cb 0.10 -0.37 0.29 0.00 -0.31 0.00 0.00 39.34 39.05 1x86 n TYR 990 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 1x86 h GLN 991 N -0.23 0.40 0.00 -0.72 5.75 -1.13 0.30 115.11 119.49 1x86 h GLN 991 Ca -0.25 -0.02 -0.02 0.00 -0.15 0.00 0.00 58.65 58.20 1x86 h GLN 991 Cb 1.27 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.73 1x86 h GLN 991 CO -0.11 0.27 -0.12 -0.09 -2.65 0.00 0.00 178.83 176.13 1x86 h ARG 992 N 0.42 0.00 -1.71 1.69 2.43 -1.37 -3.09 114.38 112.74 1x86 h ARG 992 Ca 0.54 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 59.15 1x86 h ARG 992 Cb 1.00 0.00 -0.42 0.00 -0.42 0.00 0.00 29.97 30.13 1x86 h ARG 992 CO -0.51 0.12 -0.78 2.89 -1.51 0.00 0.00 179.97 180.18 1x86 n ARG 993 N -3.30 2.99 0.00 0.20 1.85 0.90 -5.08 116.66 114.21 1x86 n ARG 993 Ca -0.00 -4.41 0.00 0.00 -1.00 0.00 0.00 57.85 52.44 1x86 n ARG 993 Cb 0.35 -2.11 0.00 0.00 -1.05 0.00 0.00 32.46 29.65 1x86 n ARG 993 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 1x86 n LEU 994 N -0.32 0.00 0.00 2.89 7.94 -0.29 0.01 117.00 127.23 1x86 n LEU 994 Ca 0.33 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.23 1x86 n LEU 994 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 1x86 n LEU 994 CO 0.32 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.78 1x86 n LEU 1015N 0.00 0.00 -0.00 -1.96 4.77 -1.26 -4.72 117.00 113.82 1x86 n LEU 1015Ca 0.00 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.14 1x86 n LEU 1015Cb 0.00 0.00 0.93 0.00 -2.33 0.00 0.00 43.42 42.02 1x86 n LEU 1015CO 0.00 0.00 1.10 0.35 -1.33 0.00 0.00 177.39 177.51 1x86 n THR 1016N 0.00 0.00 0.07 -5.08 -2.24 -1.26 -3.57 114.28 102.20 1x86 n THR 1016Ca 0.00 -0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 1x86 n THR 1016Cb 0.00 -0.49 0.23 0.00 -2.10 0.00 0.00 70.33 67.96 1x86 n THR 1016CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1x86 h LYS 1017N 0.02 0.32 -4.66 -0.78 1.79 -2.02 -3.46 116.57 107.77 1x86 h LYS 1017Ca 0.00 -0.14 -0.24 0.00 -2.18 0.00 0.00 60.65 58.09 1x86 h LYS 1017Cb 0.03 -0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 30.50 1x86 h LYS 1017CO 0.00 0.63 -0.71 -0.98 -1.08 0.00 0.00 179.45 177.31 1x86 s ARG 1018N -4.30 0.76 -0.04 3.15 1.70 -1.23 -5.10 118.95 113.89 1x86 s ARG 1018Ca -0.05 -1.18 -0.28 0.00 -0.47 0.00 0.00 55.73 53.74 1x86 s ARG 1018Cb 0.14 -0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.23 1x86 s ARG 1018CO 0.78 0.01 0.90 0.15 -1.08 0.00 0.00 175.30 176.06 1x86 s LYS 1019N -3.20 4.50 0.52 3.89 1.02 -1.26 -4.74 119.74 120.46 1x86 s LYS 1019Ca 0.06 1.26 -0.18 0.00 0.02 0.00 0.00 55.97 57.13 1x86 s LYS 1019Cb 0.01 -3.47 -0.07 0.00 -0.52 0.00 0.00 37.83 33.77 1x86 s LYS 1019CO -0.03 -0.07 1.01 1.41 -0.92 0.00 0.00 175.35 176.75 1x86 s MET 1020N 1.16 3.76 -0.15 1.68 -2.45 -1.26 -0.65 119.30 121.39 1x86 s MET 1020Ca 0.47 1.15 0.21 0.00 -1.25 0.00 0.00 55.69 56.27 1x86 s MET 1020Cb -0.20 -2.10 0.46 0.00 1.25 0.00 0.00 34.83 34.25 1x86 s MET 1020CO 0.23 -0.44 1.15 -0.89 1.05 0.00 0.00 175.02 176.13 1x86 n ILE 1021N -1.45 0.97 0.00 10.11 2.08 0.24 -4.89 119.36 126.43 1x86 n ILE 1021Ca 0.08 -2.29 0.00 0.00 0.56 0.00 0.00 62.75 61.10 1x86 n ILE 1021Cb 0.53 0.78 0.00 0.00 -0.75 0.00 0.00 39.64 40.20 1x86 n ILE 1021CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1x86 n HIS 1022N -0.21 0.00 -3.93 1.39 -0.00 -1.23 -4.68 115.22 106.56 1x86 n HIS 1022Ca 0.11 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.20 1x86 n HIS 1022Cb 0.95 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.75 1x86 n HIS 1022CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 1x86 s GLU 1023N -2.81 1.11 -0.29 1.57 -1.05 -1.25 -2.52 118.70 113.45 1x86 s GLU 1023Ca 0.00 -1.12 -0.26 0.00 -0.15 0.00 0.00 54.97 53.44 1x86 s GLU 1023Cb 0.00 0.38 0.18 0.00 -0.44 0.00 0.00 34.13 34.25 1x86 s GLU 1023CO 0.00 -0.40 1.37 0.20 0.95 0.00 0.00 175.26 177.39 1x86 s GLY 1024N -2.94 0.22 0.03 -3.83 0.00 -1.08 -4.92 107.32 94.80 1x86 s GLY 1024Ca 0.14 3.21 -0.30 0.00 0.00 0.00 0.00 44.72 47.77 1x86 s GLY 1024CO -0.02 1.65 1.44 2.56 0.00 0.00 0.00 173.10 178.72 1x86 s PRO 1025N -0.32 4.28 0.00 2.90 0.04 -1.26 -2.15 135.00 138.49 1x86 s PRO 1025Ca 0.07 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1x86 s PRO 1025Cb -0.04 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.99 1x86 s PRO 1025CO -0.12 -0.57 0.00 1.28 0.04 0.00 0.00 177.00 177.63 1x86 n LEU 1026N 5.15 0.00 -3.93 -3.56 4.77 0.57 -4.11 117.00 115.89 1x86 n LEU 1026Ca 0.13 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1x86 n LEU 1026Cb 0.43 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 1x86 n LEU 1026CO 0.59 0.00 0.18 -0.69 -1.33 0.00 0.00 177.39 176.14 1x86 s VAL 1027N 0.37 0.02 0.00 4.08 1.01 -1.21 -4.16 120.40 120.50 1x86 s VAL 1027Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.73 1x86 s VAL 1027Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.38 1x86 s VAL 1027CO 0.00 -0.07 0.00 1.87 0.00 0.00 0.00 175.10 176.90 1x86 n TRP 1028N -0.35 0.00 -3.25 5.22 -0.00 -1.26 -3.69 117.44 114.11 1x86 n TRP 1028Ca -0.04 0.00 -0.46 0.00 -0.00 0.00 0.00 57.50 57.00 1x86 n TRP 1028Cb 0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 31.31 31.92 1x86 n TRP 1028CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 1x86 s ASP 1037N -2.45 6.91 0.66 5.87 1.01 -1.26 -5.05 116.67 122.35 1x86 s ASP 1037Ca 0.00 -2.85 -0.12 0.00 0.71 0.00 0.00 52.55 50.29 1x86 s ASP 1037Cb 0.00 -2.25 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 1x86 s ASP 1037CO 0.00 -0.58 1.05 -0.76 0.21 0.00 0.00 175.17 175.09 1x86 s LEU 1038N 0.23 3.24 0.00 1.23 1.43 -1.26 -3.76 118.68 119.79 1x86 s LEU 1038Ca 0.25 1.62 0.06 0.00 -1.03 0.00 0.00 54.13 55.03 1x86 s LEU 1038Cb -0.09 -4.50 0.06 0.00 0.03 0.00 0.00 46.19 41.69 1x86 s LEU 1038CO -0.08 -1.27 0.50 -1.22 0.23 0.00 0.00 176.35 174.51 1x86 n TYR 1039N -2.80 -1.67 -3.83 0.29 4.01 -1.25 -0.31 117.16 111.59 1x86 n TYR 1039Ca 0.07 -1.77 -0.11 0.00 -0.16 0.00 0.00 57.90 55.93 1x86 n TYR 1039Cb 0.53 -0.40 -0.09 0.00 -0.31 0.00 0.00 39.34 39.08 1x86 n TYR 1039CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1x86 s THR 1040N -2.02 0.09 -0.24 -0.72 2.01 -0.91 -2.71 115.64 111.14 1x86 s THR 1040Ca 0.38 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.58 1x86 s THR 1040Cb -0.03 -0.78 0.08 0.00 0.01 0.00 0.00 72.50 71.78 1x86 s THR 1040CO 0.24 -0.42 0.06 -0.76 -0.69 0.00 0.00 174.62 173.05 1x86 s LEU 1041N -1.83 1.47 -0.01 4.42 1.43 -1.04 -2.63 118.68 120.49 1x86 s LEU 1041Ca -0.08 -1.14 -0.30 0.00 -1.03 0.00 0.00 54.13 51.58 1x86 s LEU 1041Cb -0.03 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.49 1x86 s LEU 1041CO -0.01 -0.35 1.12 -0.22 0.23 0.00 0.00 176.35 177.11 1x86 s LEU 1042N 1.80 4.33 0.00 1.79 2.96 -1.05 -2.41 118.68 126.10 1x86 s LEU 1042Ca 0.03 1.80 0.01 0.00 -0.22 0.00 0.00 54.13 55.76 1x86 s LEU 1042Cb -0.17 -3.57 0.01 0.00 0.50 0.00 0.00 46.19 42.97 1x86 s LEU 1042CO -0.17 -0.45 0.12 0.18 -1.32 0.00 0.00 176.35 174.72 1x86 n LEU 1043N 4.42 0.00 0.12 -0.68 4.77 -0.94 0.82 117.00 125.51 1x86 n LEU 1043Ca 0.09 -1.33 0.11 0.00 -0.03 0.00 0.00 56.01 54.85 1x86 n LEU 1043Cb 0.48 0.04 0.47 0.00 -2.33 0.00 0.00 43.42 42.09 1x86 n LEU 1043CO 0.54 -0.33 0.82 1.21 -1.33 0.00 0.00 177.39 178.30 1x86 n GLU 1044N -0.90 0.15 0.00 3.23 2.13 0.18 -3.93 120.64 121.51 1x86 n GLU 1044Ca -0.04 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.25 1x86 n GLU 1044Cb 0.28 -1.84 0.00 0.00 0.27 0.00 0.00 31.44 30.15 1x86 n GLU 1044CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 1x86 n ASP 1045N -2.13 0.00 -4.74 4.31 3.85 -1.26 -4.98 116.55 111.59 1x86 n ASP 1045Ca 0.01 -1.00 -0.29 0.00 -0.71 0.00 0.00 54.79 52.80 1x86 n ASP 1045Cb 0.16 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 39.90 1x86 n ASP 1045CO 0.00 0.00 0.00 2.30 -1.01 0.00 0.00 177.20 178.49 1x86 n ILE 1046N 0.00 0.00 -4.57 2.12 -5.35 -1.25 -2.31 119.36 108.00 1x86 n ILE 1046Ca 0.00 -2.26 -0.26 0.00 -0.27 0.00 0.00 62.75 59.96 1x86 n ILE 1046Cb 0.26 0.20 -0.10 0.00 -1.74 0.00 0.00 39.64 38.26 1x86 n ILE 1046CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1x86 s LEU 1047N 0.00 2.38 -0.21 7.28 2.96 -1.26 -2.22 118.68 127.61 1x86 s LEU 1047Ca 0.17 -1.47 -0.04 0.00 -0.22 0.00 0.00 54.13 52.57 1x86 s LEU 1047Cb -0.01 -0.55 0.10 0.00 0.50 0.00 0.00 46.19 46.23 1x86 s LEU 1047CO 0.11 -0.66 0.28 -0.69 -1.32 0.00 0.00 176.35 174.07 1x86 s VAL 1048N -3.03 -0.42 -0.53 1.68 1.01 -1.01 -3.76 120.40 114.34 1x86 s VAL 1048Ca 0.28 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.91 1x86 s VAL 1048Cb 0.07 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.77 1x86 s VAL 1048CO 0.14 -0.16 1.09 -0.76 0.00 0.00 0.00 175.10 175.41 1x86 s LEU 1049N 2.40 3.71 0.04 3.92 1.43 -1.26 -2.50 118.68 126.42 1x86 s LEU 1049Ca 0.08 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.34 1x86 s LEU 1049Cb -0.15 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 1x86 s LEU 1049CO -0.13 -1.30 0.07 -0.76 0.23 0.00 0.00 176.35 174.45 1x86 s LEU 1050N 4.44 3.78 -0.40 1.79 1.43 -1.10 -5.07 118.68 123.54 1x86 s LEU 1050Ca 0.41 0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.46 1x86 s LEU 1050Cb -0.09 -2.35 0.07 0.00 0.03 0.00 0.00 46.19 43.86 1x86 s LEU 1050CO 0.26 0.22 0.22 -1.10 0.23 0.00 0.00 176.35 176.18 1x86 s GLN 1051N -2.08 2.56 -0.37 1.70 -0.21 -1.25 -3.96 119.66 116.05 1x86 s GLN 1051Ca 0.26 -1.43 -0.28 0.00 0.02 0.00 0.00 55.36 53.93 1x86 s GLN 1051Cb -0.12 -3.70 -0.03 0.00 1.00 0.00 0.00 33.01 30.16 1x86 s GLN 1051CO 0.18 -0.90 1.91 0.21 -2.12 0.00 0.00 175.29 174.57 1x86 s LYS 1052N 1.40 3.11 0.10 2.91 2.47 -1.25 -3.81 119.74 124.67 1x86 s LYS 1052Ca 0.02 1.39 0.08 0.00 -1.56 0.00 0.00 55.97 55.90 1x86 s LYS 1052Cb -0.22 -4.28 -0.04 0.00 -1.46 0.00 0.00 37.83 31.83 1x86 s LYS 1052CO 0.02 -2.13 -0.13 -0.65 0.16 0.00 0.00 175.35 172.62 1x86 s GLN 1053N 6.16 2.02 0.15 4.03 -0.21 -1.22 -4.97 119.66 125.63 1x86 s GLN 1053Ca 0.82 -1.06 -0.19 0.00 0.02 0.00 0.00 55.36 54.95 1x86 s GLN 1053Cb -0.22 -2.24 0.07 0.00 1.00 0.00 0.00 33.01 31.62 1x86 s GLN 1053CO 0.31 0.50 1.22 -0.25 -2.12 0.00 0.00 175.29 174.96 1x86 n ASP 1054N 0.83 -0.67 -0.04 5.90 9.92 -1.26 -3.70 116.55 127.52 1x86 n ASP 1054Ca -0.14 1.39 -0.10 0.00 -0.53 0.00 0.00 54.79 55.41 1x86 n ASP 1054Cb 0.52 -0.25 -0.03 0.00 -0.64 0.00 0.00 41.12 40.72 1x86 n ASP 1054CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1x86 n ASP 1055N -5.08 0.94 -2.78 -2.24 10.43 -1.26 -5.08 116.55 111.48 1x86 n ASP 1055Ca 0.05 0.15 -0.12 0.00 2.57 0.00 0.00 54.79 57.45 1x86 n ASP 1055Cb 0.26 -0.37 0.08 0.00 1.84 0.00 0.00 41.12 42.94 1x86 n ASP 1055CO 0.00 0.00 0.00 -2.11 -1.07 0.00 0.00 177.20 174.02 1x86 n ARG 1056N -3.59 -0.78 -3.27 -1.24 1.85 -1.24 -4.91 116.66 103.48 1x86 n ARG 1056Ca -0.18 -0.79 -0.06 0.00 -1.00 0.00 0.00 57.85 55.82 1x86 n ARG 1056Cb 0.54 -0.56 -0.04 0.00 -1.05 0.00 0.00 32.46 31.36 1x86 n ARG 1056CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1x86 s LEU 1057N 0.00 -0.95 -0.27 2.89 1.43 0.10 -3.41 118.68 118.47 1x86 s LEU 1057Ca 0.29 -1.07 -0.10 0.00 -1.03 0.00 0.00 54.13 52.22 1x86 s LEU 1057Cb -0.01 1.41 -0.05 0.00 0.03 0.00 0.00 46.19 47.57 1x86 s LEU 1057CO 0.21 -0.21 0.16 -0.69 0.23 0.00 0.00 176.35 176.05 1x86 s VAL 1058N 1.72 5.12 -0.31 -1.59 1.01 -1.25 -4.39 120.40 120.70 1x86 s VAL 1058Ca 0.16 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.25 1x86 s VAL 1058Cb -0.09 -3.43 0.10 0.00 0.00 0.00 0.00 36.38 32.96 1x86 s VAL 1058CO -0.06 0.27 0.08 -0.69 0.00 0.00 0.00 175.10 174.70 1x86 s VAL 1079N 1.69 1.25 -1.03 2.92 1.01 -1.26 -3.78 120.40 121.20 1x86 s VAL 1079Ca 0.07 -1.63 -0.05 0.00 0.00 0.00 0.00 61.98 60.37 1x86 s VAL 1079Cb -0.16 -1.93 0.12 0.00 0.00 0.00 0.00 36.38 34.42 1x86 s VAL 1079CO 0.09 -0.64 2.45 -0.38 0.00 0.00 0.00 175.10 176.62 1x86 n ILE 1080N 4.69 4.72 -0.79 2.22 5.41 -1.25 -4.93 119.36 129.44 1x86 n ILE 1080Ca -0.01 -4.07 -0.31 0.00 1.00 0.00 0.00 62.75 59.36 1x86 n ILE 1080Cb 0.42 -1.87 -0.08 0.00 -0.71 0.00 0.00 39.64 37.40 1x86 n ILE 1080CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1x86 n LYS 1081N 1.28 0.00 -0.31 0.38 5.02 -1.26 -4.25 118.16 119.01 1x86 n LYS 1081Ca 0.57 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.86 1x86 n LYS 1081Cb 0.34 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 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 5.06 3.66 -0.22 -0.35 4.77 -0.98 -3.43 117.00 125.51 1x86 n LEU 1082Ca 0.35 -1.66 0.11 0.00 -0.03 0.00 0.00 56.01 54.77 1x86 n LEU 1082Cb -0.01 -0.76 0.03 0.00 -2.33 0.00 0.00 43.42 40.35 1x86 n LEU 1082CO 0.53 0.68 0.23 -1.20 -1.33 0.00 0.00 177.39 176.30 1x86 n SER 1083N 1.49 1.35 -2.77 -1.43 7.64 -1.26 -4.53 113.62 114.12 1x86 n SER 1083Ca 0.00 -1.11 -0.09 0.00 1.01 0.00 0.00 58.87 58.68 1x86 n SER 1083Cb 0.36 0.61 0.05 0.00 -1.01 0.00 0.00 64.21 64.22 1x86 n SER 1083CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1x86 n THR 1084N -0.82 -0.03 -4.28 0.44 -1.04 -1.22 -5.15 114.28 102.18 1x86 n THR 1084Ca 0.07 -1.62 -0.19 0.00 -2.04 0.00 0.00 64.05 60.27 1x86 n THR 1084Cb 0.39 1.35 -0.13 0.00 -1.82 0.00 0.00 70.33 70.12 1x86 n THR 1084CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1x86 s VAL 1085N 0.52 1.03 0.20 12.58 1.01 -1.26 -4.53 120.40 129.95 1x86 s VAL 1085Ca 0.30 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1x86 s VAL 1085Cb 0.24 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1x86 s VAL 1085CO -0.21 -0.08 0.01 -0.76 0.00 0.00 0.00 175.10 174.06 1x86 s LEU 1086N -1.27 2.08 0.27 3.92 1.43 -1.26 -4.86 118.68 118.98 1x86 s LEU 1086Ca -0.00 -1.21 0.08 0.00 -1.03 0.00 0.00 54.13 51.97 1x86 s LEU 1086Cb -0.08 -0.10 -0.05 0.00 0.03 0.00 0.00 46.19 45.98 1x86 s LEU 1086CO 0.01 -0.57 -0.10 -0.69 0.23 0.00 0.00 176.35 175.23 1x86 s VAL 1087N -3.61 1.83 -0.25 -1.59 1.01 -1.26 -1.37 120.40 115.16 1x86 s VAL 1087Ca 0.27 -2.19 -0.24 0.00 0.00 0.00 0.00 61.98 59.82 1x86 s VAL 1087Cb 0.06 -2.35 0.07 0.00 0.00 0.00 0.00 36.38 34.16 1x86 s VAL 1087CO 0.06 -0.38 0.67 -0.60 0.00 0.00 0.00 175.10 174.86 1x86 s ARG 1088N -3.67 0.79 0.17 2.72 6.06 -0.02 -4.95 118.95 120.06 1x86 s ARG 1088Ca 0.28 0.92 -0.14 0.00 -2.50 0.00 0.00 55.73 54.29 1x86 s ARG 1088Cb 0.01 0.39 -0.07 0.00 0.06 0.00 0.00 34.95 35.34 1x86 s ARG 1088CO 0.11 -0.10 0.58 -1.14 -2.50 0.00 0.00 175.30 172.25 1x86 s GLN 1089N 0.32 3.99 0.19 5.12 0.74 -1.26 -1.68 119.66 127.08 1x86 s GLN 1089Ca -0.00 0.52 0.05 0.00 0.05 0.00 0.00 55.36 55.98 1x86 s GLN 1089Cb -0.05 -2.87 -0.04 0.00 1.10 0.00 0.00 33.01 31.15 1x86 s GLN 1089CO 0.01 0.44 0.18 0.08 -0.55 0.00 0.00 175.29 175.45 1x86 s VAL 1090N -1.53 4.62 -0.10 1.34 1.01 -1.22 -4.98 120.40 119.53 1x86 s VAL 1090Ca 0.40 -1.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 1x86 s VAL 1090Cb -0.15 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.80 1x86 s VAL 1090CO 0.19 -0.17 -0.18 0.00 0.00 0.00 0.00 175.10 174.94 1x86 n ALA 1091N -0.62 0.45 -0.31 5.51 0.00 -1.26 -4.61 120.51 119.67 1x86 n ALA 1091Ca -0.08 -0.49 -0.04 0.00 0.00 0.00 0.00 53.44 52.82 1x86 n ALA 1091Cb 0.55 0.02 0.08 0.00 0.00 0.00 0.00 19.45 20.10 1x86 n ALA 1091CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1x86 h THR 1092N -0.63 1.24 -3.24 0.00 2.02 -2.02 -3.41 112.91 106.87 1x86 h THR 1092Ca 0.00 -0.54 -0.58 0.00 0.77 0.00 0.00 66.41 66.06 1x86 h THR 1092Cb 0.51 0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 66.94 1x86 h THR 1092CO 0.00 0.25 -0.09 -0.62 0.37 0.00 0.00 175.52 175.43 1x86 s ASP 1093N -6.09 6.87 0.00 4.18 2.15 -1.26 -4.97 116.67 117.55 1x86 s ASP 1093Ca -0.13 1.03 0.22 0.00 0.43 0.00 0.00 52.55 54.11 1x86 s ASP 1093Cb 0.16 -2.32 1.34 0.00 -0.30 0.00 0.00 42.92 41.81 1x86 s ASP 1093CO 0.81 0.14 1.80 0.59 -0.17 0.00 0.00 175.17 178.34 1x86 n ASN 1094N 2.67 0.00 0.00 -0.34 3.02 -1.26 -4.17 115.26 115.17 1x86 n ASN 1094Ca -0.09 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.39 1x86 n ASN 1094Cb 0.51 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.68 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 -0.90 0.00 -1.68 3.52 5.02 -1.26 -4.79 118.16 118.07 1x86 n LYS 1095Ca 0.17 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 56.09 1x86 n LYS 1095Cb 0.08 -0.49 0.06 0.00 -0.02 0.00 0.00 35.03 34.66 1x86 n LYS 1095CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x86 n ALA 1096N -0.73 0.73 -3.67 7.82 0.00 -1.26 -4.33 120.51 119.07 1x86 n ALA 1096Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 1x86 n ALA 1096Cb 0.00 -2.23 -0.12 0.00 0.00 0.00 0.00 19.45 17.10 1x86 n ALA 1096CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x86 s LEU 1097N -3.29 -0.34 -0.09 0.00 1.43 -1.01 -3.40 118.68 111.98 1x86 s LEU 1097Ca 0.79 0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 54.39 1x86 s LEU 1097Cb -0.40 0.94 -0.03 0.00 0.03 0.00 0.00 46.19 46.73 1x86 s LEU 1097CO 0.43 -0.23 0.70 -0.36 0.23 0.00 0.00 176.35 177.12 1x86 s PHE 1098N 2.33 3.54 0.25 0.29 0.08 -0.67 -3.23 117.98 120.56 1x86 s PHE 1098Ca -0.01 1.20 0.06 0.00 0.12 0.00 0.00 56.93 58.30 1x86 s PHE 1098Cb -0.12 -2.81 -0.03 0.00 -0.57 0.00 0.00 43.02 39.49 1x86 s PHE 1098CO -0.10 0.03 0.25 0.08 -0.10 0.00 0.00 175.22 175.38 1x86 s VAL 1099N 1.04 4.69 0.23 -0.44 1.01 -1.16 -0.84 120.40 124.93 1x86 s VAL 1099Ca 0.36 -1.28 0.05 0.00 0.00 0.00 0.00 61.98 61.12 1x86 s VAL 1099Cb -0.17 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1x86 s VAL 1099CO 0.16 -0.34 -0.06 -0.63 0.00 0.00 0.00 175.10 174.24 1x86 s ILE 1100N -2.09 1.34 0.21 2.22 1.01 -0.47 -3.03 121.20 120.39 1x86 s ILE 1100Ca 0.33 -2.09 0.00 0.00 0.00 0.00 0.00 60.65 58.89 1x86 s ILE 1100Cb -0.08 -2.25 0.00 0.00 0.01 0.00 0.00 42.46 40.13 1x86 s ILE 1100CO 0.26 -0.42 0.00 -1.20 0.00 0.00 0.00 174.94 173.58 1x86 n SER 1101N -0.43 -1.89 -2.61 3.58 7.64 -1.26 -4.25 113.62 114.40 1x86 n SER 1101Ca -0.06 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1x86 n SER 1101Cb 0.63 2.00 0.00 0.00 -1.01 0.00 0.00 64.21 65.83 1x86 n SER 1101CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1x86 n GLN 1108N -3.12 2.10 -3.53 1.43 7.27 -1.26 -5.03 117.38 115.24 1x86 n GLN 1108Ca 0.00 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.80 1x86 n GLN 1108Cb 0.00 0.00 -0.15 0.00 2.41 0.00 0.00 30.24 32.50 1x86 n GLN 1108CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1x86 s ILE 1109N -0.07 -0.12 -0.35 1.69 1.01 -1.26 -4.91 121.20 117.19 1x86 s ILE 1109Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1x86 s ILE 1109Cb 0.00 -0.92 0.09 0.00 0.01 0.00 0.00 42.46 41.64 1x86 s ILE 1109CO 0.00 -0.62 0.07 -0.31 0.00 0.00 0.00 174.94 174.08 1x86 s TYR 1110N 2.14 3.55 -1.18 3.97 1.51 -1.17 -4.98 117.35 121.20 1x86 s TYR 1110Ca 0.08 -2.51 -0.12 0.00 -1.01 0.00 0.00 57.07 53.51 1x86 s TYR 1110Cb -0.16 -2.75 0.21 0.00 -0.11 0.00 0.00 41.96 39.15 1x86 s TYR 1110CO -0.32 -0.92 1.33 -2.00 -1.11 0.00 0.00 175.55 172.53 1x86 s GLU 1111N 1.07 4.13 -0.04 -0.62 2.12 -1.26 -2.98 118.70 121.12 1x86 s GLU 1111Ca 0.05 -2.79 -0.29 0.00 0.36 0.00 0.00 54.97 52.29 1x86 s GLU 1111Cb -0.21 -4.90 -0.02 0.00 0.26 0.00 0.00 34.13 29.26 1x86 s GLU 1111CO -0.05 -1.60 0.97 -0.51 -0.54 0.00 0.00 175.26 173.54 1x86 s LEU 1112N 0.65 4.32 0.53 2.70 1.43 -1.20 -4.83 118.68 122.28 1x86 s LEU 1112Ca 0.39 1.58 -0.09 0.00 -1.03 0.00 0.00 54.13 54.98 1x86 s LEU 1112Cb -0.05 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 1x86 s LEU 1112CO -0.03 -0.32 0.90 -0.69 0.23 0.00 0.00 176.35 176.44 1x86 s VAL 1113N 1.38 4.78 0.08 -1.59 1.01 -1.24 -2.41 120.40 122.41 1x86 s VAL 1113Ca 0.50 0.61 0.10 0.00 0.00 0.00 0.00 61.98 63.18 1x86 s VAL 1113Cb -0.20 -3.84 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1x86 s VAL 1113CO 0.24 -0.91 -0.26 0.00 0.00 0.00 0.00 175.10 174.16 1x86 s ALA 1114N -2.85 2.33 -0.04 5.51 0.00 -1.26 -3.30 121.76 122.15 1x86 s ALA 1114Ca 0.52 -1.35 0.31 0.00 0.00 0.00 0.00 51.96 51.44 1x86 s ALA 1114Cb -0.11 -0.45 1.32 0.00 0.00 0.00 0.00 23.12 23.88 1x86 s ALA 1114CO 0.45 0.54 1.92 1.96 0.00 0.00 0.00 175.76 180.64 1x86 h GLN 1115N 4.38 0.00 -4.23 0.00 4.20 -1.91 -3.44 115.11 114.10 1x86 h GLN 1115Ca -0.48 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.02 1x86 h GLN 1115Cb 1.15 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.82 1x86 h GLN 1115CO 0.42 0.00 -0.37 0.95 -0.67 0.00 0.00 178.83 179.16 1x86 s THR 1116N -3.59 0.00 0.06 -0.54 -4.23 -1.26 -5.09 115.64 100.99 1x86 s THR 1116Ca 0.02 -1.74 -0.33 0.00 -1.18 0.00 0.00 61.69 58.46 1x86 s THR 1116Cb 0.09 -2.43 -0.19 0.00 1.34 0.00 0.00 72.50 71.31 1x86 s THR 1116CO 0.48 0.00 1.58 0.58 -0.54 0.00 0.00 174.62 176.72 1x86 h VAL 1117N 2.37 0.31 -0.38 2.29 2.07 -1.86 -2.63 116.25 118.42 1x86 h VAL 1117Ca -0.30 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1x86 h VAL 1117Cb 1.25 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1x86 h VAL 1117CO 0.43 0.00 0.10 0.28 0.02 0.00 0.00 177.57 178.41 1x86 h SER 1118N -0.96 0.50 -0.47 0.57 0.02 -1.98 0.90 113.55 112.14 1x86 h SER 1118Ca -0.10 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 60.85 1x86 h SER 1118Cb 0.72 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.10 1x86 h SER 1118CO 0.16 0.51 0.31 -0.08 -1.14 0.00 0.00 176.83 176.59 1x86 h GLU 1119N 0.54 0.39 0.45 3.45 4.22 -1.94 0.40 114.58 122.10 1x86 h GLU 1119Ca 0.13 -0.02 -0.02 0.00 0.08 0.00 0.00 59.36 59.52 1x86 h GLU 1119Cb 0.20 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1x86 h GLU 1119CO -0.00 0.26 -0.22 1.57 -2.18 0.00 0.00 179.01 178.44 1x86 h LYS 1120N 0.40 -0.58 -0.44 1.92 5.09 -0.48 -3.10 116.57 119.37 1x86 h LYS 1120Ca 0.20 0.04 -0.06 0.00 0.09 0.00 0.00 60.65 60.93 1x86 h LYS 1120Cb 0.30 0.13 -0.02 0.00 0.10 0.00 0.00 32.23 32.74 1x86 h LYS 1120CO -0.05 -0.28 0.06 1.15 -2.09 0.00 0.00 179.45 178.24 1x86 h THR 1121N -0.94 1.25 -0.66 0.07 2.02 -0.41 0.42 112.91 114.65 1x86 h THR 1121Ca -0.06 -0.92 0.11 0.00 0.77 0.00 0.00 66.41 66.31 1x86 h THR 1121Cb 0.58 0.99 -0.12 0.00 -1.74 0.00 0.00 68.15 67.86 1x86 h THR 1121CO 0.10 0.32 -0.38 0.58 0.37 0.00 0.00 175.52 176.52 1x86 h VAL 1122N 0.59 0.12 0.47 3.16 2.07 -0.38 -1.30 116.25 120.99 1x86 h VAL 1122Ca 0.13 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.63 1x86 h VAL 1122Cb 0.40 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1x86 h VAL 1122CO 0.01 0.00 -0.26 -0.50 0.02 0.00 0.00 177.57 176.84 1x86 h TRP 1123N -0.15 -0.70 -0.97 1.57 4.06 -0.86 -3.01 115.95 115.90 1x86 h TRP 1123Ca 0.24 -0.01 0.11 0.00 2.06 0.00 0.00 58.89 61.29 1x86 h TRP 1123Cb 0.56 0.24 -0.13 0.00 -1.00 0.00 0.00 29.16 28.83 1x86 h TRP 1123CO -0.70 -0.41 -0.51 0.37 -3.56 0.00 0.00 178.44 173.63 1x86 h GLN 1124N -0.68 -0.02 -0.65 0.49 4.15 -1.26 -2.53 115.11 114.61 1x86 h GLN 1124Ca -0.06 0.00 0.13 0.00 0.77 0.00 0.00 58.65 59.49 1x86 h GLN 1124Cb 0.54 0.00 -0.12 0.00 0.21 0.00 0.00 27.48 28.11 1x86 h GLN 1124CO 0.08 -0.01 -0.17 0.22 -1.93 0.00 0.00 178.83 177.01 1x86 h ASP 1125N -0.02 -0.64 0.14 -0.69 3.58 -1.11 -2.85 116.42 114.83 1x86 h ASP 1125Ca 0.23 0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.87 1x86 h ASP 1125Cb 0.49 0.42 0.00 0.00 1.72 0.00 0.00 39.33 41.96 1x86 h ASP 1125CO -0.94 -0.22 -0.07 -0.07 -2.88 0.00 0.00 179.24 175.06 1x86 h LEU 1126N -0.01 -0.15 -0.98 2.28 3.38 -1.34 -3.29 115.31 115.19 1x86 h LEU 1126Ca 0.31 -0.39 0.32 0.00 0.09 0.00 0.00 57.88 58.20 1x86 h LEU 1126Cb 0.49 0.04 -0.18 0.00 0.09 0.00 0.00 40.66 41.10 1x86 h LEU 1126CO -0.68 0.42 0.19 -0.38 0.09 0.00 0.00 178.44 178.08 1x86 n ILE 1127N -4.89 -0.41 -0.14 1.22 5.41 -1.09 -0.34 119.36 119.12 1x86 n ILE 1127Ca -0.08 2.10 -0.10 0.00 1.00 0.00 0.00 62.75 65.67 1x86 n ILE 1127Cb 0.27 -3.18 -0.01 0.00 -0.71 0.00 0.00 39.64 36.01 1x86 n ILE 1127CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1x86 h ARG 1129N 0.57 0.00 0.05 0.00 2.43 -0.75 0.97 114.38 117.65 1x86 h ARG 1129Ca 0.11 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1x86 h ARG 1129Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1x86 h ARG 1129CO 0.03 0.06 -0.03 0.52 -1.51 0.00 0.00 179.97 179.04 1x86 h MET 1130N 0.00 -0.07 -0.48 0.20 2.86 -0.33 -2.84 114.93 114.26 1x86 h MET 1130Ca -0.00 0.00 0.10 0.00 -2.06 0.00 0.00 59.70 57.74 1x86 h MET 1130Cb 0.41 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 31.98 1x86 h MET 1130CO 0.01 0.53 -0.24 0.00 1.06 0.00 0.00 176.91 178.27 1x86 h ALA 1131N -0.18 0.10 -0.94 6.32 0.00 -0.35 -1.74 119.26 122.47 1x86 h ALA 1131Ca -0.01 0.16 0.28 0.00 0.00 0.00 0.00 54.91 55.35 1x86 h ALA 1131Cb 0.63 0.57 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 1x86 h ALA 1131CO 0.01 -0.58 0.32 0.00 0.00 0.00 0.00 179.25 179.00 1x86 h ALA 1132N 1.16 1.53 0.00 0.00 0.00 -0.86 -3.47 119.26 117.62 1x86 h ALA 1132Ca 0.22 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1x86 h ALA 1132Cb 0.48 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1x86 h ALA 1132CO -0.56 -0.57 0.00 0.45 0.00 0.00 0.00 179.25 178.57