#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 4.14 0.73 0.52 0.04 -1.26 -5.09 135.00 134.08 1x86 s PRO 767 Ca 0.00 -0.17 -0.11 0.00 0.04 0.00 0.00 61.00 60.76 1x86 s PRO 767 Cb 0.00 -3.40 0.03 0.00 0.04 0.00 0.00 34.50 31.17 1x86 s PRO 767 CO 0.00 0.33 1.07 0.54 0.04 0.00 0.00 177.00 178.98 1x86 s ASN 768 N 0.27 5.11 -0.01 6.66 6.03 -1.26 -5.01 114.94 126.72 1x86 s ASN 768 Ca 0.10 1.44 -0.17 0.00 -1.03 0.00 0.00 52.86 53.20 1x86 s ASN 768 Cb -0.11 -2.27 -0.33 0.00 -3.03 0.00 0.00 41.25 35.50 1x86 s ASN 768 CO -0.01 -1.59 0.88 -0.25 -2.03 0.00 0.00 177.10 174.10 1x86 h TRP 769 N -0.83 0.80 -0.81 1.54 7.01 -1.94 -3.37 115.95 118.35 1x86 h TRP 769 Ca -0.45 -0.58 0.16 0.00 2.11 0.00 0.00 58.89 60.13 1x86 h TRP 769 Cb 1.23 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 28.21 1x86 h TRP 769 CO 0.55 1.53 0.54 1.96 -2.79 0.00 0.00 178.44 180.23 1x86 h GLN 770 N -0.02 0.42 -0.96 2.65 4.20 -1.96 -1.71 115.11 117.72 1x86 h GLN 770 Ca -0.25 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.37 1x86 h GLN 770 Cb 2.00 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 29.65 1x86 h GLN 770 CO 0.21 0.27 0.09 1.04 -0.67 0.00 0.00 178.83 179.77 1x86 n GLN 771 N -4.49 1.54 -0.00 1.46 6.02 -1.26 -2.54 117.38 118.11 1x86 n GLN 771 Ca 0.16 -0.70 0.08 0.00 -0.01 0.00 0.00 57.00 56.54 1x86 n GLN 771 Cb 0.58 -1.44 -0.12 0.00 1.02 0.00 0.00 30.24 30.28 1x86 n GLN 771 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x86 n LEU 772 N 0.13 0.38 -4.44 1.08 4.77 -0.64 -5.06 117.00 113.22 1x86 n LEU 772 Ca 0.11 -0.24 -0.22 0.00 -0.03 0.00 0.00 56.01 55.63 1x86 n LEU 772 Cb 0.64 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.63 1x86 n LEU 772 CO 0.11 0.09 -0.41 -0.69 -1.33 0.00 0.00 177.39 175.17 1x86 s VAL 773 N -2.93 1.94 0.68 4.08 1.01 -1.05 -5.01 120.40 119.13 1x86 s VAL 773 Ca -0.00 -2.22 -0.17 0.00 0.00 0.00 0.00 61.98 59.59 1x86 s VAL 773 Cb 0.12 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1x86 s VAL 773 CO 0.71 -0.38 0.96 -0.24 0.00 0.00 0.00 175.10 176.16 1x86 n SER 774 N -0.58 0.56 0.25 3.32 2.88 -1.26 -4.91 113.62 113.88 1x86 n SER 774 Ca -0.06 0.71 0.09 0.00 -1.33 0.00 0.00 58.87 58.28 1x86 n SER 774 Cb 0.62 -1.40 0.64 0.00 -0.75 0.00 0.00 64.21 63.32 1x86 n SER 774 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1x86 h ARG 775 N -0.02 0.00 0.00 -1.46 9.65 -2.00 -2.84 114.38 117.71 1x86 h ARG 775 Ca -0.48 0.00 -0.13 0.00 -1.10 0.00 0.00 59.98 58.28 1x86 h ARG 775 Cb 1.34 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.90 1x86 h ARG 775 CO 0.48 0.11 -1.07 0.93 2.80 0.00 0.00 179.97 183.23 1x86 h GLU 776 N 0.00 0.00 -0.10 0.20 3.07 -1.98 -2.34 114.58 113.43 1x86 h GLU 776 Ca -0.00 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.66 1x86 h GLU 776 Cb 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1x86 h GLU 776 CO 0.01 0.31 -0.76 0.28 -1.40 0.00 0.00 179.01 177.46 1x86 h VAL 777 N 0.00 1.35 -0.06 3.13 2.07 -1.88 -2.14 116.25 118.72 1x86 h VAL 777 Ca -0.09 -2.10 -0.14 0.00 0.82 0.00 0.00 66.70 65.18 1x86 h VAL 777 Cb 1.45 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 1x86 h VAL 777 CO 0.05 0.64 -0.61 -0.07 0.02 0.00 0.00 177.57 177.60 1x86 h LEU 778 N 0.36 0.23 -0.99 2.57 3.38 -1.56 -2.67 115.31 116.62 1x86 h LEU 778 Ca -0.04 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1x86 h LEU 778 Cb 1.35 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1x86 h LEU 778 CO 0.14 0.78 -0.33 0.25 0.09 0.00 0.00 178.44 179.37 1x86 h LEU 779 N 0.15 0.00 -0.27 1.67 5.85 -1.45 -3.10 115.31 118.16 1x86 h LEU 779 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1x86 h LEU 779 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1x86 h LEU 779 CO 0.09 0.33 -0.13 0.61 -0.34 0.00 0.00 178.44 179.00 1x86 n GLY 780 N 0.20 -0.90 3.83 3.75 0.00 -0.81 -4.90 105.19 106.36 1x86 n GLY 780 Ca -0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.49 3.61 0.00 0.99 1.43 -1.03 -5.06 118.68 116.13 1x86 s LEU 781 Ca 0.28 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.91 1x86 s LEU 781 Cb 0.20 -2.19 0.01 0.00 0.03 0.00 0.00 46.19 44.24 1x86 s LEU 781 CO 0.48 -0.26 0.02 0.29 0.23 0.00 0.00 176.35 177.11 1x86 n LYS 782 N -1.29 -1.44 -0.03 1.70 5.02 -1.26 -4.92 118.16 115.94 1x86 n LYS 782 Ca -0.03 -0.04 -0.21 0.00 -2.02 0.00 0.00 58.31 56.01 1x86 n LYS 782 Cb 0.59 -0.04 -0.13 0.00 -0.02 0.00 0.00 35.03 35.43 1x86 n LYS 782 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1x86 n PRO 783 N -1.77 0.73 0.12 1.97 -0.04 -1.26 -4.06 135.00 130.68 1x86 n PRO 783 Ca 0.00 0.26 0.05 0.00 -0.04 0.00 0.00 63.50 63.77 1x86 n PRO 783 Cb 0.01 -1.68 0.02 0.00 -0.04 0.00 0.00 33.50 31.82 1x86 n PRO 783 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x86 h GLU 785 N 0.00 0.64 0.50 0.00 4.57 -1.80 0.47 114.58 118.96 1x86 h GLU 785 Ca -0.04 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 1x86 h GLU 785 Cb 1.32 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.80 1x86 h GLU 785 CO 0.04 0.62 -0.43 0.82 -1.18 0.00 0.00 179.01 178.88 1x86 h ILE 786 N 0.62 0.14 0.00 2.32 2.04 -1.70 -2.59 117.51 118.33 1x86 h ILE 786 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 1x86 h ILE 786 Cb 0.30 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1x86 h ILE 786 CO 0.00 0.00 0.21 0.11 0.00 0.00 0.00 178.15 178.47 1x86 h LYS 787 N -0.92 0.00 0.00 2.37 1.57 -1.00 -1.92 116.57 116.66 1x86 h LYS 787 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1x86 h LYS 787 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 1x86 h LYS 787 CO -0.03 0.00 -0.06 -0.09 -0.57 0.00 0.00 179.45 178.70 1x86 h ARG 788 N 0.00 0.00 -1.36 3.15 2.43 -0.91 -3.29 114.38 114.40 1x86 h ARG 788 Ca 0.00 0.00 0.39 0.00 -0.81 0.00 0.00 59.98 59.56 1x86 h ARG 788 Cb 0.42 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 1x86 h ARG 788 CO 0.00 0.00 1.14 1.96 -1.51 0.00 0.00 179.97 181.56 1x86 h GLN 789 N -0.72 0.00 0.37 0.20 1.08 -0.96 1.45 115.11 116.53 1x86 h GLN 789 Ca 0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1x86 h GLN 789 Cb 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1x86 h GLN 789 CO 0.00 0.00 -0.18 0.93 -0.95 0.00 0.00 178.83 178.63 1x86 h GLU 790 N 0.00 -0.47 0.09 1.46 4.39 -1.64 -1.76 114.58 116.64 1x86 h GLU 790 Ca 0.64 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 60.37 1x86 h GLU 790 Cb 2.91 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 31.67 1x86 h GLU 790 CO -0.01 -0.20 -0.04 0.28 -1.16 0.00 0.00 179.01 177.88 1x86 h VAL 791 N -0.70 1.05 -1.03 3.13 2.07 0.19 0.27 116.25 121.23 1x86 h VAL 791 Ca -0.05 -0.50 0.31 0.00 0.82 0.00 0.00 66.70 67.28 1x86 h VAL 791 Cb 0.49 1.38 -0.14 0.00 -1.52 0.00 0.00 31.29 31.50 1x86 h VAL 791 CO 0.08 0.12 0.61 0.40 0.02 0.00 0.00 177.57 178.80 1x86 h ILE 792 N -0.35 0.36 -0.29 4.57 2.04 -1.52 0.28 117.51 122.59 1x86 h ILE 792 Ca -0.01 -0.13 -0.17 0.00 1.00 0.00 0.00 64.86 65.55 1x86 h ILE 792 Cb 0.29 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1x86 h ILE 792 CO 0.02 0.07 -0.50 -1.13 0.00 0.00 0.00 178.15 176.61 1x86 h ASN 793 N 0.37 0.95 0.53 1.72 -0.73 -0.11 -2.63 115.58 115.68 1x86 h ASN 793 Ca 0.71 -0.52 -0.04 0.00 1.87 0.00 0.00 56.30 58.32 1x86 h ASN 793 Cb 1.64 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 39.95 1x86 h ASN 793 CO -0.53 1.29 -0.17 -0.08 -0.37 0.00 0.00 177.43 177.57 1x86 h GLU 794 N 0.64 0.00 -0.31 6.67 4.81 0.19 -1.69 114.58 124.90 1x86 h GLU 794 Ca 0.02 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1x86 h GLU 794 Cb 1.11 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1x86 h GLU 794 CO 0.11 0.17 0.08 1.25 -0.73 0.00 0.00 179.01 179.89 1x86 h LEU 795 N 0.00 0.46 0.53 1.64 5.85 -0.40 -2.42 115.31 120.97 1x86 h LEU 795 Ca -0.00 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1x86 h LEU 795 Cb 0.48 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.39 1x86 h LEU 795 CO 0.02 0.57 -0.25 -0.26 -0.34 0.00 0.00 178.44 178.18 1x86 h PHE 796 N 0.33 -0.66 -0.85 1.25 0.04 -0.97 -2.80 116.94 113.28 1x86 h PHE 796 Ca 0.10 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1x86 h PHE 796 Cb 0.29 0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.62 1x86 h PHE 796 CO 0.01 -0.39 0.48 0.10 -0.60 0.00 0.00 178.31 177.92 1x86 h TYR 797 N -1.17 1.15 0.00 -0.55 -0.00 -1.47 -0.72 116.97 114.22 1x86 h TYR 797 Ca -0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.63 1x86 h TYR 797 Cb 0.56 -0.37 -0.00 0.00 0.00 0.00 0.00 36.73 36.92 1x86 h TYR 797 CO 0.00 0.79 -0.05 1.15 -0.00 0.00 0.00 178.16 180.05 1x86 h THR 798 N 1.18 0.48 0.21 -0.90 2.02 -1.48 0.12 112.91 114.55 1x86 h THR 798 Ca 0.30 -0.26 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1x86 h THR 798 Cb 0.00 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1x86 h THR 798 CO -0.05 0.05 -0.10 -0.08 0.37 0.00 0.00 175.52 175.71 1x86 h GLU 799 N 0.00 -0.27 -0.89 6.66 4.57 -0.86 -2.15 114.58 121.64 1x86 h GLU 799 Ca -0.00 0.02 0.21 0.00 -1.18 0.00 0.00 59.36 58.41 1x86 h GLU 799 Cb 0.17 0.06 -0.12 0.00 -0.16 0.00 0.00 28.75 28.70 1x86 h GLU 799 CO 0.01 0.11 0.40 -0.09 -1.18 0.00 0.00 179.01 178.26 1x86 h ARG 800 N -0.74 0.43 -0.89 1.92 2.43 -0.78 0.23 114.38 116.97 1x86 h ARG 800 Ca -0.03 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1x86 h ARG 800 Cb 0.50 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.91 1x86 h ARG 800 CO 0.05 0.28 0.59 0.00 -1.51 0.00 0.00 179.97 179.38 1x86 h ALA 801 N 1.68 1.15 -0.06 2.80 0.00 -0.79 -1.91 119.26 122.13 1x86 h ALA 801 Ca 0.54 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 55.21 1x86 h ALA 801 Cb 1.00 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1x86 h ALA 801 CO -0.50 0.50 -0.79 1.25 0.00 0.00 0.00 179.25 179.71 1x86 h HIS 802 N 1.18 0.55 -0.66 0.00 -0.00 0.03 -1.30 115.15 114.95 1x86 h HIS 802 Ca 0.34 -0.26 -0.00 0.00 -0.00 0.00 0.00 60.37 60.44 1x86 h HIS 802 Cb -0.09 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.21 1x86 h HIS 802 CO -0.01 1.03 0.39 0.28 -0.00 0.00 0.00 177.93 179.63 1x86 h VAL 803 N 0.26 1.19 -0.76 5.26 2.07 -0.73 -1.56 116.25 121.99 1x86 h VAL 803 Ca -0.04 -0.44 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1x86 h VAL 803 Cb 1.38 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1x86 h VAL 803 CO 0.13 0.20 0.49 -0.09 0.02 0.00 0.00 177.57 178.33 1x86 h ARG 804 N 0.90 0.95 -0.21 1.57 2.43 -0.68 0.45 114.38 119.79 1x86 h ARG 804 Ca 0.24 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.25 1x86 h ARG 804 Cb -0.02 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1x86 h ARG 804 CO -0.04 0.63 -0.31 1.15 -1.51 0.00 0.00 179.97 179.88 1x86 h THR 805 N 0.98 1.28 -0.20 0.20 2.02 -1.05 -0.02 112.91 116.12 1x86 h THR 805 Ca 0.29 -1.37 -0.14 0.00 0.77 0.00 0.00 66.41 65.97 1x86 h THR 805 Cb -0.05 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1x86 h THR 805 CO -0.09 0.43 -0.45 -0.07 0.37 0.00 0.00 175.52 175.71 1x86 h LEU 806 N 0.37 0.54 -0.54 2.58 3.38 -0.29 -2.68 115.31 118.67 1x86 h LEU 806 Ca 0.05 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.64 1x86 h LEU 806 Cb 0.74 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1x86 h LEU 806 CO 0.06 0.92 -0.19 0.11 0.09 0.00 0.00 178.44 179.42 1x86 h LYS 807 N 0.41 0.98 0.18 1.13 1.57 0.28 -0.72 116.57 120.41 1x86 h LYS 807 Ca 0.03 -0.40 0.01 0.00 -1.87 0.00 0.00 60.65 58.42 1x86 h LYS 807 Cb 0.95 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 1x86 h LYS 807 CO 0.08 1.07 -0.38 0.28 -0.57 0.00 0.00 179.45 179.93 1x86 h VAL 808 N 0.85 0.22 -0.68 0.50 2.07 -1.04 0.42 116.25 118.58 1x86 h VAL 808 Ca 0.12 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.77 1x86 h VAL 808 Cb 0.76 0.22 -0.09 0.00 -1.52 0.00 0.00 31.29 30.65 1x86 h VAL 808 CO 0.06 0.00 0.19 0.25 0.02 0.00 0.00 177.57 178.09 1x86 h LEU 809 N -0.65 0.09 0.53 2.57 5.85 -1.25 0.85 115.31 123.30 1x86 h LEU 809 Ca 0.01 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1x86 h LEU 809 Cb 0.66 0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.84 1x86 h LEU 809 CO -0.19 0.03 -0.25 -0.78 -0.34 0.00 0.00 178.44 176.91 1x86 h ASP 810 N 0.32 -0.60 0.78 1.25 1.82 -0.65 -2.49 116.42 116.84 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 0.58 0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.74 1x86 h ASP 810 CO -0.43 -0.28 -0.31 0.00 -1.61 0.00 0.00 179.24 176.61 1x86 n GLN 811 N -4.74 0.05 0.00 0.28 6.02 0.14 0.37 117.38 119.50 1x86 n GLN 811 Ca -0.09 0.02 0.07 0.00 -0.01 0.00 0.00 57.00 56.99 1x86 n GLN 811 Cb 0.28 -1.54 -0.05 0.00 1.02 0.00 0.00 30.24 29.95 1x86 n GLN 811 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1x86 n VAL 812 N -1.62 0.00 0.00 5.09 0.31 0.28 -4.57 118.33 117.82 1x86 n VAL 812 Ca 0.06 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1x86 n VAL 812 Cb 0.35 1.07 0.00 0.00 -0.91 0.00 0.00 33.84 34.36 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 -0.83 0.00 -0.35 3.52 3.72 -1.01 -4.84 117.46 117.67 1x86 n PHE 813 Ca 0.04 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.42 1x86 n PHE 813 Cb 0.26 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.82 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 0.00 -1.13 -0.51 1.38 3.20 -1.16 0.84 116.97 119.59 1x86 h TYR 814 Ca 0.00 0.10 0.08 0.00 3.14 0.00 0.00 58.73 62.05 1x86 h TYR 814 Cb 0.00 0.63 -0.07 0.00 1.54 0.00 0.00 36.73 38.83 1x86 h TYR 814 CO 0.00 -0.40 0.14 0.37 -1.64 0.00 0.00 178.16 176.63 1x86 h GLN 815 N -0.03 0.28 0.04 1.82 5.75 -0.35 -2.38 115.11 120.25 1x86 h GLN 815 Ca 0.31 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.79 1x86 h GLN 815 Cb 0.58 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.06 1x86 h GLN 815 CO -0.93 0.19 -0.02 0.00 -2.65 0.00 0.00 178.83 175.41 1x86 h ARG 816 N 0.29 -0.06 -0.03 1.69 2.47 -1.12 -3.30 114.38 114.32 1x86 h ARG 816 Ca 0.25 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.99 1x86 h ARG 816 Cb 0.32 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.65 1x86 h ARG 816 CO -0.30 0.28 0.08 -0.24 0.56 0.00 0.00 179.97 180.35 1x86 h VAL 817 N -0.99 0.22 -0.68 2.04 3.04 -1.23 -0.29 116.25 118.36 1x86 h VAL 817 Ca -0.01 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 1x86 h VAL 817 Cb 0.36 0.93 -0.03 0.00 -2.01 0.00 0.00 31.29 30.54 1x86 h VAL 817 CO 0.01 0.00 0.31 -1.28 -1.01 0.00 0.00 177.57 175.60 1x86 h SER 818 N 0.00 0.90 0.90 3.17 0.87 -1.50 -3.30 113.55 114.59 1x86 h SER 818 Ca 0.02 -0.14 -0.22 0.00 -1.23 0.00 0.00 61.79 60.21 1x86 h SER 818 Cb 0.17 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1x86 h SER 818 CO -0.00 0.79 -1.15 0.03 -0.53 0.00 0.00 176.83 175.97 1x86 h ARG 819 N 0.95 0.00 -0.67 2.24 3.08 -1.14 -3.21 114.38 115.62 1x86 h ARG 819 Ca 0.23 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.48 1x86 h ARG 819 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1x86 h ARG 819 CO -0.03 0.82 0.57 0.93 -1.07 0.00 0.00 179.97 181.20 1x86 h GLU 820 N 0.00 0.00 -3.42 0.04 3.07 -1.57 -3.46 114.58 109.24 1x86 h GLU 820 Ca -0.08 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.65 1x86 h GLU 820 Cb 1.80 0.00 0.07 0.00 -0.84 0.00 0.00 28.75 29.78 1x86 h GLU 820 CO 0.11 0.00 -0.30 0.41 -1.40 0.00 0.00 179.01 177.83 1x86 n GLY 821 N -1.61 0.13 0.12 -3.84 0.00 -1.21 -4.99 105.19 93.78 1x86 n GLY 821 Ca 0.13 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.25 1.36 -4.35 -0.61 5.41 -1.26 -4.99 119.36 112.68 1x86 n ILE 822 Ca -0.11 -0.52 -0.27 0.00 1.00 0.00 0.00 62.75 62.85 1x86 n ILE 822 Cb 0.57 -1.33 -0.13 0.00 -0.71 0.00 0.00 39.64 38.04 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 -6.38 2.32 1.12 1.39 1.02 -1.26 -4.98 118.68 111.91 1x86 s LEU 823 Ca -0.32 -0.73 -0.12 0.00 0.02 0.00 0.00 54.13 52.98 1x86 s LEU 823 Cb 0.08 -1.09 0.26 0.00 0.02 0.00 0.00 46.19 45.46 1x86 s LEU 823 CO 0.55 0.13 1.05 -0.94 0.02 0.00 0.00 176.35 177.16 1x86 s SER 824 N -2.03 1.40 0.00 2.29 1.04 -1.26 -4.79 113.70 110.36 1x86 s SER 824 Ca 0.11 1.54 0.29 0.00 0.48 0.00 0.00 55.95 58.38 1x86 s SER 824 Cb -0.10 -2.27 1.29 0.00 0.10 0.00 0.00 66.02 65.04 1x86 s SER 824 CO 0.05 -3.94 1.89 -0.81 0.98 0.00 0.00 173.24 171.41 1x86 n PRO 825 N -4.75 0.85 -0.10 4.02 -0.04 -1.26 -2.09 135.00 131.63 1x86 n PRO 825 Ca 0.04 -0.29 -0.18 0.00 -0.04 0.00 0.00 63.50 63.03 1x86 n PRO 825 Cb 0.54 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.38 1x86 n PRO 825 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1x86 n SER 826 N -0.82 1.81 0.29 3.54 3.41 -1.26 -3.48 113.62 117.11 1x86 n SER 826 Ca 0.16 -0.04 0.18 0.00 -0.26 0.00 0.00 58.87 58.91 1x86 n SER 826 Cb 0.26 -0.37 0.90 0.00 -0.26 0.00 0.00 64.21 64.74 1x86 n SER 826 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1x86 h GLU 827 N 0.01 0.00 0.08 4.33 5.08 -1.89 0.14 114.58 122.33 1x86 h GLU 827 Ca -0.54 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.58 1x86 h GLU 827 Cb 1.96 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.23 1x86 h GLU 827 CO -0.04 0.00 -1.00 -0.07 -1.00 0.00 0.00 179.01 176.90 1x86 h LEU 828 N 0.00 0.75 -0.52 1.33 3.38 -1.54 -3.23 115.31 115.47 1x86 h LEU 828 Ca 0.03 -0.81 -0.06 0.00 0.09 0.00 0.00 57.88 57.13 1x86 h LEU 828 Cb 0.54 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1x86 h LEU 828 CO -0.00 1.48 0.09 0.03 0.09 0.00 0.00 178.44 180.13 1x86 h ARG 829 N 0.11 0.86 -0.58 1.13 3.08 -1.07 -1.08 114.38 116.82 1x86 h ARG 829 Ca -0.15 -0.23 0.13 0.00 0.07 0.00 0.00 59.98 59.80 1x86 h ARG 829 Cb 1.70 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.62 1x86 h ARG 829 CO 0.19 0.84 0.40 -0.22 -1.07 0.00 0.00 179.97 180.11 1x86 h LYS 830 N 0.74 0.23 0.00 0.04 1.63 -1.28 0.65 116.57 118.59 1x86 h LYS 830 Ca 0.16 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1x86 h LYS 830 Cb 0.39 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 1x86 h LYS 830 CO 0.01 0.15 0.00 -0.89 -3.45 0.00 0.00 179.45 175.27 1x86 n ILE 831 N -4.44 0.00 0.99 2.00 5.41 -1.04 -3.27 119.36 119.01 1x86 n ILE 831 Ca 0.10 0.10 0.11 0.00 1.00 0.00 0.00 62.75 64.07 1x86 n ILE 831 Cb 0.48 -0.21 0.55 0.00 -0.71 0.00 0.00 39.64 39.75 1x86 n ILE 831 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 1x86 n PHE 832 N -0.49 0.00 0.00 1.39 3.72 -0.44 -4.66 117.46 116.99 1x86 n PHE 832 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1x86 n PHE 832 Cb 0.00 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.18 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 -1.36 0.00 -0.94 4.37 3.41 0.23 0.03 113.62 119.35 1x86 n SER 833 Ca 0.09 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.73 1x86 n SER 833 Cb 0.21 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.39 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 5.57 3.19 -0.53 4.04 6.94 -1.26 -4.75 115.26 128.46 1x86 n ASN 834 Ca 0.00 -3.33 0.41 0.00 -0.02 0.00 0.00 54.58 51.64 1x86 n ASN 834 Cb 0.00 -0.58 0.66 0.00 -2.36 0.00 0.00 39.78 37.50 1x86 n ASN 834 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1x86 n LEU 835 N -0.84 0.08 0.23 -4.53 7.94 0.11 0.29 117.00 120.27 1x86 n LEU 835 Ca 0.26 1.01 0.11 0.00 -1.11 0.00 0.00 56.01 56.27 1x86 n LEU 835 Cb 0.94 -0.50 0.50 0.00 0.53 0.00 0.00 43.42 44.89 1x86 n LEU 835 CO 0.16 -1.05 0.83 -0.08 -1.11 0.00 0.00 177.39 176.14 1x86 h GLU 836 N 0.00 0.00 0.08 1.96 4.57 -1.85 -1.32 114.58 118.02 1x86 h GLU 836 Ca 0.79 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.97 1x86 h GLU 836 Cb 2.91 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 31.50 1x86 h GLU 836 CO -0.18 0.20 -0.04 -0.44 -1.18 0.00 0.00 179.01 177.37 1x86 h ASP 837 N 0.00 -0.09 -0.57 1.04 3.32 0.39 -2.68 116.42 117.83 1x86 h ASP 837 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1x86 h ASP 837 Cb 0.69 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1x86 h ASP 837 CO 0.03 -0.03 0.35 0.16 -1.72 0.00 0.00 179.24 178.03 1x86 h ILE 838 N -0.18 1.16 0.16 0.35 3.07 -1.58 0.60 117.51 121.09 1x86 h ILE 838 Ca -0.01 -0.36 0.02 0.00 1.55 0.00 0.00 64.86 66.06 1x86 h ILE 838 Cb 0.08 0.34 -0.04 0.00 -0.27 0.00 0.00 36.82 36.94 1x86 h ILE 838 CO 0.02 0.17 -0.37 0.25 -1.05 0.00 0.00 178.15 177.17 1x86 h LEU 839 N 0.80 -1.06 -2.74 0.16 5.85 -1.38 -2.32 115.31 114.61 1x86 h LEU 839 Ca 0.21 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 59.05 1x86 h LEU 839 Cb -0.03 0.39 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1x86 h LEU 839 CO -0.04 -0.46 -0.00 1.56 -0.34 0.00 0.00 178.44 179.16 1x86 h GLN 840 N -0.62 0.00 0.00 1.25 1.08 0.40 -0.84 115.11 116.37 1x86 h GLN 840 Ca 0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1x86 h GLN 840 Cb 0.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1x86 h GLN 840 CO -0.19 0.00 0.00 -0.11 -0.95 0.00 0.00 178.83 177.58 1x86 n LEU 841 N -3.11 0.20 0.14 1.46 7.94 0.55 -3.28 117.00 120.90 1x86 n LEU 841 Ca -0.02 0.70 0.16 0.00 -1.11 0.00 0.00 56.01 55.74 1x86 n LEU 841 Cb 0.11 -0.43 0.73 0.00 0.53 0.00 0.00 43.42 44.36 1x86 n LEU 841 CO 0.21 -0.43 1.14 0.45 -1.11 0.00 0.00 177.39 177.66 1x86 h HIS 842 N 0.00 0.00 -0.66 1.96 3.86 -1.24 1.23 115.15 120.30 1x86 h HIS 842 Ca 0.00 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.34 1x86 h HIS 842 Cb 0.00 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.38 1x86 h HIS 842 CO 0.11 0.00 0.16 0.82 0.86 0.00 0.00 177.93 179.88 1x86 h ILE 843 N 0.00 0.61 -0.09 2.45 2.04 -1.26 0.48 117.51 121.73 1x86 h ILE 843 Ca 0.13 -0.10 -0.23 0.00 1.00 0.00 0.00 64.86 65.66 1x86 h ILE 843 Cb 0.56 0.30 0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1x86 h ILE 843 CO -0.00 0.05 -0.82 1.23 0.00 0.00 0.00 178.15 178.61 1x86 h GLY 844 N 0.29 0.80 0.22 5.37 0.00 0.15 -1.02 103.07 108.88 1x86 h GLY 844 Ca 0.35 -1.22 0.02 0.00 0.00 0.00 0.00 47.33 46.49 1x86 h GLY 844 CO -0.43 1.08 -0.42 -2.00 0.00 0.00 0.00 176.54 174.77 1x86 h LEU 845 N 0.42 -1.26 -2.17 3.11 5.85 -1.13 0.30 115.31 120.42 1x86 h LEU 845 Ca -0.08 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1x86 h LEU 845 Cb 1.46 0.48 -0.00 0.00 0.37 0.00 0.00 40.66 42.97 1x86 h LEU 845 CO 0.17 -0.48 -0.06 -1.13 -0.34 0.00 0.00 178.44 176.59 1x86 h ASN 846 N -0.62 0.00 0.96 1.25 -0.00 -0.90 -0.51 115.58 115.76 1x86 h ASN 846 Ca 0.03 0.00 -0.07 0.00 -0.00 0.00 0.00 56.30 56.26 1x86 h ASN 846 Cb 0.67 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.98 1x86 h ASN 846 CO -0.27 0.06 -0.32 -0.33 -0.00 0.00 0.00 177.43 176.57 1x86 h GLU 847 N 0.00 0.00 0.01 6.67 4.39 0.40 -1.64 114.58 124.41 1x86 h GLU 847 Ca -0.00 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.43 1x86 h GLU 847 Cb 0.16 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 1x86 h GLU 847 CO 0.01 0.32 -1.53 1.96 -1.16 0.00 0.00 179.01 178.61 1x86 h GLN 848 N 0.00 0.02 0.75 2.33 4.20 0.94 -2.84 115.11 120.50 1x86 h GLN 848 Ca -0.00 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 1x86 h GLN 848 Cb 0.89 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.69 1x86 h GLN 848 CO 0.04 0.67 -0.36 0.52 -0.67 0.00 0.00 178.83 179.03 1x86 h MET 849 N 0.00 -0.96 0.00 1.46 2.86 -1.05 0.23 114.93 117.47 1x86 h MET 849 Ca -0.22 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1x86 h MET 849 Cb 1.95 0.22 0.00 0.00 0.06 0.00 0.00 31.60 33.83 1x86 h MET 849 CO 0.10 -0.62 0.00 1.57 1.06 0.00 0.00 176.91 179.01 1x86 h LYS 850 N -1.19 0.00 -0.58 1.72 2.10 -1.46 0.97 116.57 118.13 1x86 h LYS 850 Ca -0.10 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.44 1x86 h LYS 850 Cb 0.79 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.10 1x86 h LYS 850 CO 0.17 0.00 -0.05 0.00 -2.00 0.00 0.00 179.45 177.57 1x86 h ALA 851 N 2.07 0.80 -0.58 0.07 0.00 -1.11 -2.87 119.26 117.64 1x86 h ALA 851 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1x86 h ALA 851 Cb 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1x86 h ALA 851 CO 0.00 0.67 0.35 0.28 0.00 0.00 0.00 179.25 180.55 1x86 h VAL 852 N 0.96 1.17 -0.66 0.00 2.07 0.43 -3.08 116.25 117.14 1x86 h VAL 852 Ca 0.16 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1x86 h VAL 852 Cb 0.62 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1x86 h VAL 852 CO 0.04 0.18 0.17 0.03 0.02 0.00 0.00 177.57 178.01 1x86 h ARG 853 N 0.78 1.04 -0.50 1.57 3.08 -1.37 -2.51 114.38 116.47 1x86 h ARG 853 Ca 0.21 -0.23 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1x86 h ARG 853 Cb -0.01 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1x86 h ARG 853 CO -0.04 0.91 -0.06 1.57 -1.07 0.00 0.00 179.97 181.28 1x86 h LYS 854 N 0.99 0.88 -0.99 0.04 2.10 -1.43 -3.12 116.57 115.05 1x86 h LYS 854 Ca 0.21 -0.28 0.25 0.00 -2.00 0.00 0.00 60.65 58.83 1x86 h LYS 854 Cb 0.33 -0.08 -0.08 0.00 -0.90 0.00 0.00 32.23 31.50 1x86 h LYS 854 CO -0.00 0.92 0.66 0.00 -2.00 0.00 0.00 179.45 179.02 1x86 h ARG 855 N 0.81 0.34 -5.10 0.07 3.08 -1.38 -3.39 114.38 108.81 1x86 h ARG 855 Ca 0.14 -0.02 -0.62 0.00 0.07 0.00 0.00 59.98 59.55 1x86 h ARG 855 Cb 0.56 -0.08 -0.15 0.00 0.08 0.00 0.00 29.97 30.39 1x86 h ARG 855 CO 0.03 0.22 -0.51 -0.80 -1.07 0.00 0.00 179.97 177.85 1x86 s ASN 856 N -5.41 6.07 0.36 7.04 -0.87 -1.18 -4.96 114.94 115.99 1x86 s ASN 856 Ca -0.08 0.11 0.24 0.00 -1.57 0.00 0.00 52.86 51.56 1x86 s ASN 856 Cb 0.24 -2.09 1.31 0.00 -0.02 0.00 0.00 41.25 40.68 1x86 s ASN 856 CO 0.79 0.07 1.74 -0.33 -2.57 0.00 0.00 177.10 176.80 1x86 h GLU 857 N 7.47 0.00 -5.96 -0.60 5.08 -1.86 -3.44 114.58 115.28 1x86 h GLU 857 Ca -0.38 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.41 1x86 h GLU 857 Cb 1.17 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.33 1x86 h GLU 857 CO 0.66 0.00 -0.53 0.95 -1.00 0.00 0.00 179.01 179.09 1x86 s THR 858 N -3.61 2.51 -0.91 1.13 -4.23 -1.26 -5.02 115.64 104.24 1x86 s THR 858 Ca -0.03 -1.74 0.22 0.00 -1.18 0.00 0.00 61.69 58.96 1x86 s THR 858 Cb 0.07 -2.96 0.20 0.00 1.34 0.00 0.00 72.50 71.15 1x86 s THR 858 CO 0.22 -0.07 1.70 -1.20 -0.54 0.00 0.00 174.62 174.72 1x86 n SER 859 N -1.17 0.17 -4.48 3.99 7.64 -1.26 -4.54 113.62 113.96 1x86 n SER 859 Ca -0.02 0.53 -0.43 0.00 1.01 0.00 0.00 58.87 59.96 1x86 n SER 859 Cb 0.63 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 63.21 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 -3.05 4.64 0.14 0.44 1.01 -1.26 -5.03 120.40 117.29 1x86 s VAL 860 Ca 0.10 -0.12 -0.31 0.00 0.00 0.00 0.00 61.98 61.65 1x86 s VAL 860 Cb 0.13 -4.41 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 1x86 s VAL 860 CO 0.41 -0.95 1.44 -0.63 0.00 0.00 0.00 175.10 175.38 1x86 s ILE 861 N 3.26 3.07 0.00 2.22 1.09 -1.26 -4.96 121.20 124.61 1x86 s ILE 861 Ca 0.22 0.78 0.00 0.00 -1.10 0.00 0.00 60.65 60.55 1x86 s ILE 861 Cb -0.16 -3.50 0.00 0.00 -1.06 0.00 0.00 42.46 37.74 1x86 s ILE 861 CO 0.15 0.06 0.00 0.47 -0.10 0.00 0.00 174.94 175.53 1x86 n ASP 862 N 3.87 0.00 -4.79 3.58 9.92 -1.26 -4.98 116.55 122.88 1x86 n ASP 862 Ca 0.12 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 54.07 1x86 n ASP 862 Cb 0.41 0.00 0.07 0.00 -0.64 0.00 0.00 41.12 40.96 1x86 n ASP 862 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x86 s GLN 863 N 0.00 2.57 0.00 -1.24 0.00 -1.26 -4.95 119.66 114.78 1x86 s GLN 863 Ca 0.00 1.08 0.00 0.00 -0.00 0.00 0.00 55.36 56.44 1x86 s GLN 863 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 33.01 31.07 1x86 s GLN 863 CO 0.00 -1.39 0.56 1.51 0.00 0.00 0.00 175.29 175.97 1x86 n ILE 864 N -3.31 0.00 -0.01 3.63 3.06 -1.26 -4.92 119.36 116.55 1x86 n ILE 864 Ca 0.08 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.32 1x86 n ILE 864 Cb 0.53 0.32 -0.01 0.00 0.54 0.00 0.00 39.64 41.02 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 -0.08 -0.12 4.50 0.00 -1.92 0.03 103.07 105.48 1x86 h GLY 865 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.44 1x86 h GLY 865 CO 0.00 -0.03 -0.30 -2.09 0.00 0.00 0.00 176.54 174.12 1x86 h GLU 866 N -0.83 -0.23 -0.31 4.80 4.22 -1.92 0.19 114.58 120.50 1x86 h GLU 866 Ca -0.01 0.02 0.04 0.00 0.08 0.00 0.00 59.36 59.49 1x86 h GLU 866 Cb 0.06 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.29 1x86 h GLU 866 CO 0.01 -0.15 -0.54 -0.44 -2.18 0.00 0.00 179.01 175.72 1x86 h ASP 867 N -0.24 -1.76 -0.80 1.04 3.32 -1.91 0.07 116.42 116.14 1x86 h ASP 867 Ca 0.17 0.22 0.19 0.00 0.02 0.00 0.00 57.03 57.64 1x86 h ASP 867 Cb 0.52 0.71 -0.14 0.00 0.22 0.00 0.00 39.33 40.64 1x86 h ASP 867 CO -0.52 -0.42 0.07 -0.07 -1.72 0.00 0.00 179.24 176.58 1x86 h LEU 868 N -0.44 -0.26 0.47 1.55 3.38 0.55 -1.12 115.31 119.43 1x86 h LEU 868 Ca 0.06 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1x86 h LEU 868 Cb 0.60 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1x86 h LEU 868 CO -0.53 -0.18 -0.37 -0.07 0.09 0.00 0.00 178.44 177.39 1x86 h LEU 869 N 0.13 -0.96 -0.96 1.67 3.38 0.88 -1.63 115.31 117.82 1x86 h LEU 869 Ca 0.46 0.07 0.22 0.00 0.09 0.00 0.00 57.88 58.72 1x86 h LEU 869 Cb 0.84 0.31 -0.18 0.00 0.09 0.00 0.00 40.66 41.72 1x86 h LEU 869 CO -0.67 -0.54 -0.14 0.74 0.09 0.00 0.00 178.44 177.93 1x86 h THR 870 N -0.82 0.05 -0.62 0.22 2.02 -0.30 0.96 112.91 114.41 1x86 h THR 870 Ca -0.05 -0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 1x86 h THR 870 Cb 0.70 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 1x86 h THR 870 CO -0.00 0.00 0.06 -0.50 0.37 0.00 0.00 175.52 175.45 1x86 h TRP 871 N 0.01 1.11 -0.05 3.16 6.55 -1.10 -3.35 115.95 122.28 1x86 h TRP 871 Ca 0.51 -0.16 0.00 0.00 0.95 0.00 0.00 58.89 60.19 1x86 h TRP 871 Cb 0.89 -0.30 0.00 0.00 -0.86 0.00 0.00 29.16 28.89 1x86 h TRP 871 CO -0.64 0.95 0.00 1.19 -1.05 0.00 0.00 178.44 178.89 1x86 n PHE 872 N -4.20 0.06 -4.50 0.49 3.01 0.61 -4.19 117.46 108.74 1x86 n PHE 872 Ca 0.04 -0.18 -0.23 0.00 1.01 0.00 0.00 57.45 58.09 1x86 n PHE 872 Cb 0.31 -0.01 -0.16 0.00 -0.01 0.00 0.00 39.48 39.60 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 -0.58 1.54 1.35 4.37 1.04 0.30 -4.27 113.70 117.45 1x86 s SER 873 Ca 0.06 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1x86 s SER 873 Cb 0.04 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.55 1x86 s SER 873 CO 0.05 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1x86 n GLY 874 N 3.64 2.76 0.25 7.32 0.00 -1.26 -3.68 105.19 114.22 1x86 n GLY 874 Ca -0.22 -0.29 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.26 -0.97 1.61 0.11 -1.96 0.32 132.00 130.86 1x86 h PRO 875 Ca 0.00 0.02 0.31 0.00 0.11 0.00 0.00 66.00 66.43 1x86 h PRO 875 Cb 0.00 0.06 -0.17 0.00 0.11 0.00 0.00 31.00 31.00 1x86 h PRO 875 CO 0.00 -0.17 0.25 0.78 -0.21 0.00 0.00 178.00 178.65 1x86 h GLY 876 N -0.27 1.60 0.74 -0.55 0.00 -1.69 -0.47 103.07 102.45 1x86 h GLY 876 Ca 0.03 0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 1x86 h GLY 876 CO -0.28 -0.56 -0.25 1.05 0.00 0.00 0.00 176.54 176.50 1x86 h GLU 877 N 0.07 0.38 -0.17 4.80 4.11 -1.00 -2.61 114.58 120.17 1x86 h GLU 877 Ca 0.66 -0.25 0.00 0.00 0.07 0.00 0.00 59.36 59.85 1x86 h GLU 877 Cb 1.50 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1x86 h GLU 877 CO -0.80 0.85 0.11 0.93 0.07 0.00 0.00 179.01 180.17 1x86 h GLU 878 N -0.03 0.22 -0.66 1.06 4.39 0.11 0.57 114.58 120.23 1x86 h GLU 878 Ca 0.00 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.80 1x86 h GLU 878 Cb 0.83 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.36 1x86 h GLU 878 CO 0.05 0.14 0.26 -0.22 -1.16 0.00 0.00 179.01 178.09 1x86 h LYS 879 N 0.23 0.43 0.20 2.33 3.64 -1.31 -2.49 116.57 119.60 1x86 h LYS 879 Ca 0.06 -0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 59.10 1x86 h LYS 879 Cb -0.02 -0.10 0.04 0.00 -0.41 0.00 0.00 32.23 31.74 1x86 h LYS 879 CO -0.02 0.28 -1.38 1.25 -2.27 0.00 0.00 179.45 177.32 1x86 h LEU 880 N 0.44 0.86 -0.94 5.20 5.85 -1.01 -2.58 115.31 123.14 1x86 h LEU 880 Ca 0.34 -0.88 -0.11 0.00 0.84 0.00 0.00 57.88 58.07 1x86 h LEU 880 Cb 0.43 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1x86 h LEU 880 CO -0.32 1.67 -0.39 0.07 -0.34 0.00 0.00 178.44 179.12 1x86 h LYS 881 N 0.19 0.28 0.04 1.25 2.10 0.23 -0.97 116.57 119.68 1x86 h LYS 881 Ca -0.23 -0.13 -0.00 0.00 -2.00 0.00 0.00 60.65 58.29 1x86 h LYS 881 Cb 2.06 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.39 1x86 h LYS 881 CO 0.26 0.63 -0.02 0.45 -2.00 0.00 0.00 179.45 178.78 1x86 h HIS 882 N 0.23 -0.04 -0.09 0.07 3.86 -1.53 -1.24 115.15 116.41 1x86 h HIS 882 Ca 0.02 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 1x86 h HIS 882 Cb 0.80 0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 1x86 h HIS 882 CO 0.02 0.60 -0.41 0.00 0.86 0.00 0.00 177.93 178.99 1x86 h ALA 883 N 0.10 1.13 0.00 2.45 0.00 -1.46 -1.71 119.26 119.77 1x86 h ALA 883 Ca -0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 1x86 h ALA 883 Cb 0.67 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1x86 h ALA 883 CO 0.01 0.58 -0.65 0.00 0.00 0.00 0.00 179.25 179.19 1x86 h ALA 884 N 1.40 0.72 0.00 0.00 0.00 -1.28 -3.17 119.26 116.92 1x86 h ALA 884 Ca 0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1x86 h ALA 884 Cb 0.81 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1x86 h ALA 884 CO 0.06 0.44 -0.51 0.00 0.00 0.00 0.00 179.25 179.24 1x86 h ALA 885 N 1.68 0.94 0.02 0.00 0.00 -0.52 -2.40 119.26 118.97 1x86 h ALA 885 Ca -0.03 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1x86 h ALA 885 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1x86 h ALA 885 CO 0.04 0.64 -0.01 1.79 0.00 0.00 0.00 179.25 181.71 1x86 h THR 886 N 0.00 1.09 -0.91 0.00 1.35 -1.40 -3.22 112.91 109.82 1x86 h THR 886 Ca -0.01 -1.75 0.03 0.00 -0.55 0.00 0.00 66.41 64.13 1x86 h THR 886 Cb 1.05 2.04 -0.05 0.00 -1.73 0.00 0.00 68.15 69.46 1x86 h THR 886 CO 0.07 0.36 0.60 0.15 -0.25 0.00 0.00 175.52 176.45 1x86 h PHE 887 N -0.98 1.12 0.01 4.73 3.57 -1.58 -2.40 116.94 121.41 1x86 h PHE 887 Ca -0.00 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 1x86 h PHE 887 Cb 0.61 -0.38 0.01 0.00 2.79 0.00 0.00 35.95 38.98 1x86 h PHE 887 CO 0.16 0.67 -0.29 0.00 -2.23 0.00 0.00 178.31 176.62 1x86 n SER 889 N -4.47 0.00 0.02 0.00 3.41 -1.13 0.29 113.62 111.74 1x86 n SER 889 Ca -0.10 0.36 -0.21 0.00 -0.26 0.00 0.00 58.87 58.66 1x86 n SER 889 Cb 0.53 -0.36 -0.14 0.00 -0.26 0.00 0.00 64.21 63.98 1x86 n SER 889 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1x86 h ASN 890 N 0.00 0.41 -0.02 4.04 -1.24 -1.33 -3.43 115.58 114.01 1x86 h ASN 890 Ca 0.00 -0.87 0.00 0.00 0.71 0.00 0.00 56.30 56.14 1x86 h ASN 890 Cb 0.05 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 38.96 1x86 h ASN 890 CO 0.00 1.58 -0.01 1.67 -1.29 0.00 0.00 177.43 179.38 1x86 n GLN 891 N -3.95 -0.01 -0.19 6.67 7.27 0.15 0.21 117.38 127.53 1x86 n GLN 891 Ca -0.23 0.09 0.27 0.00 0.07 0.00 0.00 57.00 57.21 1x86 n GLN 891 Cb 0.89 -0.14 0.69 0.00 2.41 0.00 0.00 30.24 34.10 1x86 n GLN 891 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1x86 h PRO 892 N 0.00 0.06 0.00 3.69 0.13 -1.83 -0.57 132.00 133.48 1x86 h PRO 892 Ca 0.00 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1x86 h PRO 892 Cb 0.01 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.12 1x86 h PRO 892 CO -0.01 0.04 -0.00 0.74 -0.23 0.00 0.00 178.00 178.53 1x86 h PHE 893 N 0.06 -0.00 0.25 1.56 0.04 0.21 -2.96 116.94 116.11 1x86 h PHE 893 Ca 0.43 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.21 1x86 h PHE 893 Cb 1.63 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.74 1x86 h PHE 893 CO -0.00 0.69 -0.50 0.00 -0.60 0.00 0.00 178.31 177.91 1x86 h ALA 894 N 0.30 -0.99 -0.67 2.45 0.00 -1.10 -2.21 119.26 117.04 1x86 h ALA 894 Ca -0.00 -0.13 0.19 0.00 0.00 0.00 0.00 54.91 54.97 1x86 h ALA 894 Cb 0.70 0.80 -0.03 0.00 0.00 0.00 0.00 17.79 19.26 1x86 h ALA 894 CO 0.00 -1.12 0.62 -0.07 0.00 0.00 0.00 179.25 178.69 1x86 h LEU 895 N -0.82 0.00 0.05 0.00 3.38 -1.22 0.53 115.31 117.23 1x86 h LEU 895 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1x86 h LEU 895 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1x86 h LEU 895 CO -0.20 0.00 -0.02 -0.08 0.09 0.00 0.00 178.44 178.23 1x86 h GLU 896 N 0.00 -0.06 -0.41 1.13 4.81 -1.23 -2.89 114.58 115.94 1x86 h GLU 896 Ca 0.32 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.62 1x86 h GLU 896 Cb 1.56 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.87 1x86 h GLU 896 CO -0.00 0.39 -0.45 1.98 -0.73 0.00 0.00 179.01 180.20 1x86 h MET 897 N -0.54 -0.33 0.00 1.92 4.05 0.43 -2.44 114.93 118.03 1x86 h MET 897 Ca -0.01 0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.43 1x86 h MET 897 Cb 0.48 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.35 1x86 h MET 897 CO 0.01 -0.22 -0.04 0.82 0.23 0.00 0.00 176.91 177.71 1x86 h ILE 898 N -0.34 0.20 0.17 1.77 2.04 -1.18 -0.66 117.51 119.52 1x86 h ILE 898 Ca 0.13 -0.35 -0.32 0.00 1.00 0.00 0.00 64.86 65.32 1x86 h ILE 898 Cb 0.59 1.28 0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1x86 h ILE 898 CO -0.58 0.04 -1.52 0.11 0.00 0.00 0.00 178.15 176.20 1x86 h LYS 899 N 0.00 0.36 0.15 2.37 1.57 -1.27 -3.25 116.57 116.50 1x86 h LYS 899 Ca -0.00 -0.61 -0.32 0.00 -1.87 0.00 0.00 60.65 57.85 1x86 h LYS 899 Cb 0.28 0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1x86 h LYS 899 CO 0.01 1.26 -1.56 0.66 -0.57 0.00 0.00 179.45 179.24 1x86 h SER 900 N 0.10 0.51 -0.13 0.86 4.64 -0.94 -2.79 113.55 115.80 1x86 h SER 900 Ca -0.25 -0.68 -0.07 0.00 -0.47 0.00 0.00 61.79 60.32 1x86 h SER 900 Cb 2.07 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.97 1x86 h SER 900 CO 0.20 1.56 -0.13 0.03 -0.87 0.00 0.00 176.83 177.62 1x86 h ARG 901 N 0.09 0.50 0.00 4.77 2.47 -1.33 -1.33 114.38 119.54 1x86 h ARG 901 Ca -0.26 -0.15 -0.08 0.00 -1.26 0.00 0.00 59.98 58.24 1x86 h ARG 901 Cb 2.06 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 30.31 1x86 h ARG 901 CO 0.19 0.62 -0.36 1.96 0.56 0.00 0.00 179.97 182.94 1x86 h GLN 902 N 0.46 0.00 0.00 0.04 4.20 -1.59 -0.53 115.11 117.69 1x86 h GLN 902 Ca 0.08 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 1x86 h GLN 902 Cb 0.51 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1x86 h GLN 902 CO 0.03 0.36 -0.48 0.87 -0.67 0.00 0.00 178.83 178.94 1x86 h LYS 903 N 0.00 0.00 0.00 1.46 1.57 -1.16 -3.41 116.57 115.03 1x86 h LYS 903 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x86 h LYS 903 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1x86 h LYS 903 CO 0.05 0.37 0.00 1.63 -0.57 0.00 0.00 179.45 180.93 1x86 n LYS 904 N -3.16 1.01 -3.50 3.15 4.76 -0.54 -4.97 118.16 114.90 1x86 n LYS 904 Ca 0.02 -0.86 -0.26 0.00 -2.87 0.00 0.00 58.31 54.34 1x86 n LYS 904 Cb 0.70 -0.83 -0.13 0.00 -1.84 0.00 0.00 35.03 32.92 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 -0.42 2.98 0.00 4.39 -1.08 -0.22 -5.01 116.67 117.31 1x86 s ASP 905 Ca 0.00 -1.12 -0.00 0.00 -0.52 0.00 0.00 52.55 50.91 1x86 s ASP 905 Cb 0.00 -0.10 -0.00 0.00 -1.46 0.00 0.00 42.92 41.36 1x86 s ASP 905 CO 0.00 -0.42 0.64 -1.20 0.52 0.00 0.00 175.17 174.71 1x86 n SER 906 N 5.27 -0.01 0.15 -0.34 7.64 -1.26 -1.66 113.62 123.41 1x86 n SER 906 Ca -0.05 0.64 0.13 0.00 1.01 0.00 0.00 58.87 60.60 1x86 n SER 906 Cb 0.43 -0.32 0.49 0.00 -1.01 0.00 0.00 64.21 63.81 1x86 n SER 906 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1x86 h ARG 907 N 0.00 0.00 0.38 1.43 3.08 -1.96 -1.84 114.38 115.46 1x86 h ARG 907 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1x86 h ARG 907 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1x86 h ARG 907 CO -0.00 0.00 -0.18 0.35 -1.07 0.00 0.00 179.97 179.06 1x86 h PHE 908 N 0.00 -0.47 -0.80 3.04 3.57 -1.63 -2.86 116.94 117.79 1x86 h PHE 908 Ca 0.00 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.63 1x86 h PHE 908 Cb 0.47 0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.28 1x86 h PHE 908 CO 0.00 -0.29 0.39 0.37 -2.23 0.00 0.00 178.31 176.55 1x86 h GLN 909 N -0.85 0.56 -0.89 1.11 -0.00 -1.23 0.40 115.11 114.21 1x86 h GLN 909 Ca -0.05 -0.03 0.25 0.00 -0.00 0.00 0.00 58.65 58.81 1x86 h GLN 909 Cb 0.39 -0.13 -0.15 0.00 0.00 0.00 0.00 27.48 27.59 1x86 h GLN 909 CO 0.08 0.37 0.19 1.15 0.00 0.00 0.00 178.83 180.62 1x86 h THR 910 N 0.57 0.24 0.22 2.39 2.02 -1.43 -2.53 112.91 114.39 1x86 h THR 910 Ca 0.43 -0.05 -0.29 0.00 0.77 0.00 0.00 66.41 67.27 1x86 h THR 910 Cb 0.60 0.08 0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1x86 h THR 910 CO -0.36 0.03 -1.27 0.15 0.37 0.00 0.00 175.52 174.44 1x86 h PHE 911 N 0.15 0.84 -0.75 3.16 3.57 -0.01 -2.12 116.94 121.77 1x86 h PHE 911 Ca 0.56 -0.62 0.17 0.00 3.53 0.00 0.00 57.97 61.61 1x86 h PHE 911 Cb 1.16 -0.03 -0.11 0.00 2.79 0.00 0.00 35.95 39.75 1x86 h PHE 911 CO -0.31 1.49 0.19 0.28 -2.23 0.00 0.00 178.31 177.72 1x86 h VAL 912 N -0.03 0.49 0.00 1.41 2.07 -0.88 -1.12 116.25 118.19 1x86 h VAL 912 Ca -0.22 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.16 1x86 h VAL 912 Cb 2.00 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1x86 h VAL 912 CO 0.24 0.05 -0.56 -0.61 0.02 0.00 0.00 177.57 176.70 1x86 h GLN 913 N 0.27 0.00 -1.48 1.57 4.15 -1.51 -1.45 115.11 116.65 1x86 h GLN 913 Ca 0.43 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.81 1x86 h GLN 913 Cb 0.75 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 1x86 h GLN 913 CO -0.53 0.16 0.05 -3.47 -1.93 0.00 0.00 178.83 173.12 1x86 n ASP 914 N -3.00 4.30 0.12 -0.69 -0.08 -0.49 -3.64 116.55 113.07 1x86 n ASP 914 Ca 0.01 -2.30 0.00 0.00 -1.51 0.00 0.00 54.79 50.99 1x86 n ASP 914 Cb 0.63 -0.83 0.00 0.00 2.34 0.00 0.00 41.12 43.26 1x86 n ASP 914 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x86 n ALA 915 N 0.89 2.70 0.30 -1.67 0.00 -0.82 -4.89 120.51 117.03 1x86 n ALA 915 Ca 0.04 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.67 1x86 n ALA 915 Cb 0.54 0.00 0.93 0.00 0.00 0.00 0.00 19.45 20.92 1x86 n ALA 915 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1x86 h GLU 916 N 0.00 0.00 0.49 0.00 4.11 -1.42 -0.10 114.58 117.66 1x86 h GLU 916 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1x86 h GLU 916 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1x86 h GLU 916 CO 0.00 0.00 -0.30 0.66 0.07 0.00 0.00 179.01 179.44 1x86 h SER 917 N 0.00 -0.75 -0.95 3.06 4.64 -1.84 -3.41 113.55 114.30 1x86 h SER 917 Ca 0.00 0.04 -0.84 0.00 -0.47 0.00 0.00 61.79 60.53 1x86 h SER 917 Cb 0.18 0.22 0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1x86 h SER 917 CO 0.00 -0.47 0.63 -3.20 -0.87 0.00 0.00 176.83 172.92 1x86 n ASN 918 N -5.43 1.11 0.00 4.97 2.85 -0.05 -4.72 115.26 113.98 1x86 n ASN 918 Ca -0.11 1.13 0.00 0.00 -0.11 0.00 0.00 54.58 55.49 1x86 n ASN 918 Cb 0.33 -0.84 0.00 0.00 1.24 0.00 0.00 39.78 40.51 1x86 n ASN 918 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1x86 n PRO 919 N 3.72 0.00 0.18 1.20 -0.02 -1.26 -1.32 135.00 137.50 1x86 n PRO 919 Ca 0.29 0.16 0.13 0.00 -2.02 0.00 0.00 63.50 62.06 1x86 n PRO 919 Cb -0.05 -1.58 0.36 0.00 -0.02 0.00 0.00 33.50 32.21 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 0.00 0.00 2.45 3.38 -1.93 -3.09 115.31 116.12 1x86 h LEU 920 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x86 h LEU 920 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1x86 h LEU 920 CO 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.41 1x86 n ARG 922 N -1.95 -5.23 -1.31 0.00 1.74 -1.17 -2.00 116.66 106.75 1x86 n ARG 922 Ca 0.06 0.58 -0.11 0.00 -0.77 0.00 0.00 57.85 57.61 1x86 n ARG 922 Cb 0.40 -5.39 -0.05 0.00 -1.02 0.00 0.00 32.46 26.40 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 -4.61 -0.74 -3.29 5.56 1.74 -1.26 -5.01 116.66 109.05 1x86 n ARG 923 Ca -0.01 0.87 -0.22 0.00 -0.77 0.00 0.00 57.85 57.72 1x86 n ARG 923 Cb 0.55 -4.82 -0.00 0.00 -1.02 0.00 0.00 32.46 27.16 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 -2.42 3.88 0.48 0.55 1.43 -0.85 -5.11 118.68 116.64 1x86 s LEU 924 Ca 0.00 0.21 0.07 0.00 -1.03 0.00 0.00 54.13 53.38 1x86 s LEU 924 Cb 0.00 -3.09 0.01 0.00 0.03 0.00 0.00 46.19 43.14 1x86 s LEU 924 CO 0.00 -0.48 0.39 -1.10 0.23 0.00 0.00 176.35 175.39 1x86 s GLN 925 N -4.36 2.36 0.26 1.70 -0.21 -1.26 -4.79 119.66 113.36 1x86 s GLN 925 Ca 0.44 -1.78 -0.04 0.00 0.02 0.00 0.00 55.36 54.00 1x86 s GLN 925 Cb -0.10 -2.23 0.34 0.00 1.00 0.00 0.00 33.01 32.03 1x86 s GLN 925 CO 0.35 -0.40 1.90 1.25 -2.12 0.00 0.00 175.29 176.27 1x86 h LEU 926 N 0.91 1.07 -1.72 2.90 5.85 -1.99 0.41 115.31 122.75 1x86 h LEU 926 Ca -0.39 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.39 1x86 h LEU 926 Cb 1.28 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1x86 h LEU 926 CO 0.58 0.72 0.30 0.07 -0.34 0.00 0.00 178.44 179.77 1x86 h LYS 927 N 1.24 0.33 0.00 1.25 2.10 -1.99 -2.93 116.57 116.57 1x86 h LYS 927 Ca 0.40 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 59.03 1x86 h LYS 927 Cb 0.04 -0.08 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 1x86 h LYS 927 CO -0.14 0.22 0.00 -0.25 -2.00 0.00 0.00 179.45 177.28 1x86 n ASP 928 N -4.47 0.80 -0.08 7.07 10.43 0.14 -4.24 116.55 126.19 1x86 n ASP 928 Ca 0.06 0.58 -0.12 0.00 2.57 0.00 0.00 54.79 57.88 1x86 n ASP 928 Cb 0.27 -0.80 -0.07 0.00 1.84 0.00 0.00 41.12 42.35 1x86 n ASP 928 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1x86 n ILE 929 N -2.26 0.94 -0.27 0.53 5.41 -1.09 -4.63 119.36 117.99 1x86 n ILE 929 Ca 0.05 -0.35 0.07 0.00 1.00 0.00 0.00 62.75 63.53 1x86 n ILE 929 Cb 0.41 -1.16 0.22 0.00 -0.71 0.00 0.00 39.64 38.40 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 -0.07 0.63 -0.98 1.39 2.04 -1.73 -1.18 117.51 117.61 1x86 h ILE 930 Ca -0.38 -0.16 0.24 0.00 1.00 0.00 0.00 64.86 65.56 1x86 h ILE 930 Cb 1.55 0.12 -0.18 0.00 -0.74 0.00 0.00 36.82 37.57 1x86 h ILE 930 CO -0.08 0.08 -0.08 -0.65 0.00 0.00 0.00 178.15 177.43 1x86 h PRO 931 N 0.46 0.01 0.00 2.37 0.11 -1.82 -3.21 132.00 129.92 1x86 h PRO 931 Ca 0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1x86 h PRO 931 Cb 0.72 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1x86 h PRO 931 CO -0.43 0.01 0.33 0.25 -0.21 0.00 0.00 178.00 177.95 1x86 n THR 932 N -5.53 0.70 -0.07 -1.15 -2.24 -0.45 0.17 114.28 105.72 1x86 n THR 932 Ca 0.20 0.64 -0.13 0.00 -2.27 0.00 0.00 64.05 62.49 1x86 n THR 932 Cb 0.65 -1.64 -0.06 0.00 -2.10 0.00 0.00 70.33 67.18 1x86 n THR 932 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1x86 h GLN 933 N 0.00 0.45 0.11 -0.78 5.75 -1.80 -1.23 115.11 117.62 1x86 h GLN 933 Ca 0.00 -0.22 -0.01 0.00 -0.15 0.00 0.00 58.65 58.28 1x86 h GLN 933 Cb 0.66 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.20 1x86 h GLN 933 CO 0.00 0.77 -0.05 0.00 -2.65 0.00 0.00 178.83 176.90 1x86 h MET 934 N 0.13 -0.15 -0.42 1.69 -0.00 0.15 -2.71 114.93 113.62 1x86 h MET 934 Ca 0.04 0.01 0.08 0.00 -0.00 0.00 0.00 59.70 59.82 1x86 h MET 934 Cb 0.66 0.03 -0.07 0.00 -0.00 0.00 0.00 31.60 32.23 1x86 h MET 934 CO 0.04 0.02 0.01 1.96 -0.00 0.00 0.00 176.91 178.94 1x86 h GLN 935 N -0.29 0.12 -0.75 -0.10 4.20 -1.39 0.16 115.11 117.07 1x86 h GLN 935 Ca -0.02 -0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1x86 h GLN 935 Cb 0.23 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 1x86 h GLN 935 CO 0.03 0.08 0.50 -0.09 -0.67 0.00 0.00 178.83 178.67 1x86 h ARG 936 N 0.12 0.95 -0.94 1.46 9.65 -1.27 -2.23 114.38 122.13 1x86 h ARG 936 Ca 0.21 -0.06 0.05 0.00 -1.10 0.00 0.00 59.98 59.08 1x86 h ARG 936 Cb 0.29 -0.21 -0.06 0.00 -1.39 0.00 0.00 29.97 28.60 1x86 h ARG 936 CO -0.33 0.63 0.60 1.25 2.80 0.00 0.00 179.97 184.91 1x86 h LEU 937 N 0.98 0.97 0.00 3.80 5.85 -0.34 -2.44 115.31 124.12 1x86 h LEU 937 Ca 0.29 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1x86 h LEU 937 Cb -0.05 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1x86 h LEU 937 CO -0.07 0.63 0.00 0.35 -0.34 0.00 0.00 178.44 179.01 1x86 n THR 938 N -4.54 0.34 1.22 1.05 -2.24 -0.85 -3.18 114.28 106.08 1x86 n THR 938 Ca 0.13 0.09 0.13 0.00 -2.27 0.00 0.00 64.05 62.13 1x86 n THR 938 Cb 0.15 -0.68 0.29 0.00 -2.10 0.00 0.00 70.33 67.98 1x86 n THR 938 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x86 n LYS 939 N -1.43 2.01 -0.02 -0.78 4.76 -0.92 -4.48 118.16 117.28 1x86 n LYS 939 Ca 0.07 -1.48 -0.16 0.00 -2.87 0.00 0.00 58.31 53.88 1x86 n LYS 939 Cb 0.25 -1.47 -0.13 0.00 -1.84 0.00 0.00 35.03 31.84 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 3.61 0.24 -0.79 2.13 0.05 -1.58 -2.58 116.97 118.05 1x86 h TYR 940 Ca 0.00 -0.15 0.04 0.00 0.05 0.00 0.00 58.73 58.67 1x86 h TYR 940 Cb 0.77 -0.02 -0.05 0.00 1.01 0.00 0.00 36.73 38.44 1x86 h TYR 940 CO 0.00 1.05 0.50 -1.35 -1.05 0.00 0.00 178.16 177.30 1x86 h PRO 941 N -0.64 0.92 -0.44 4.88 0.11 -1.79 -1.15 132.00 133.89 1x86 h PRO 941 Ca -0.05 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.87 1x86 h PRO 941 Cb 1.15 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1x86 h PRO 941 CO 0.06 0.61 -0.28 -0.07 -0.21 0.00 0.00 178.00 178.11 1x86 h LEU 942 N 0.94 1.01 -1.39 2.35 3.38 -1.79 0.13 115.31 119.94 1x86 h LEU 942 Ca 0.33 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1x86 h LEU 942 Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1x86 h LEU 942 CO -0.14 1.21 0.25 -0.07 0.09 0.00 0.00 178.44 179.78 1x86 h LEU 943 N 0.80 0.59 0.05 1.67 3.38 -1.25 -3.08 115.31 117.47 1x86 h LEU 943 Ca 0.09 -0.04 -0.28 0.00 0.09 0.00 0.00 57.88 57.74 1x86 h LEU 943 Cb 0.86 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1x86 h LEU 943 CO 0.08 0.49 -1.48 -0.07 0.09 0.00 0.00 178.44 177.54 1x86 h LEU 944 N 0.66 0.17 -0.98 1.67 4.07 -0.79 -2.88 115.31 117.25 1x86 h LEU 944 Ca 0.17 -0.26 0.20 0.00 0.08 0.00 0.00 57.88 58.07 1x86 h LEU 944 Cb 0.04 -0.06 -0.11 0.00 1.08 0.00 0.00 40.66 41.62 1x86 h LEU 944 CO -0.03 1.22 0.57 0.44 -1.08 0.00 0.00 178.44 179.56 1x86 h ASP 945 N 0.03 0.69 0.06 -0.43 5.19 -0.94 -0.12 116.42 120.90 1x86 h ASP 945 Ca -0.21 0.11 -0.17 0.00 -0.62 0.00 0.00 57.03 56.15 1x86 h ASP 945 Cb 1.96 -0.00 0.02 0.00 0.18 0.00 0.00 39.33 41.48 1x86 h ASP 945 CO 0.12 0.21 -0.69 0.78 -3.12 0.00 0.00 179.24 176.55 1x86 h ASN 946 N 0.68 0.51 -0.99 6.45 2.35 -1.47 -1.79 115.58 121.31 1x86 h ASN 946 Ca 0.58 -0.84 0.25 0.00 -0.55 0.00 0.00 56.30 55.74 1x86 h ASN 946 Cb 0.95 -0.16 -0.07 0.00 0.05 0.00 0.00 38.32 39.09 1x86 h ASN 946 CO -0.41 1.29 0.66 0.40 -1.65 0.00 0.00 177.43 177.71 1x86 h ILE 947 N -0.21 0.57 0.37 2.81 2.04 -1.24 0.16 117.51 122.01 1x86 h ILE 947 Ca -0.10 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1x86 h ILE 947 Cb 1.44 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1x86 h ILE 947 CO 0.13 0.06 -0.18 0.00 0.00 0.00 0.00 178.15 178.16 1x86 h ALA 948 N 1.59 -0.49 -0.88 1.87 0.00 -0.76 -2.98 119.26 117.60 1x86 h ALA 948 Ca 0.53 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.32 1x86 h ALA 948 Cb 1.48 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 1x86 h ALA 948 CO -0.19 -0.66 0.57 -0.22 0.00 0.00 0.00 179.25 178.74 1x86 h LYS 949 N -0.72 1.00 -0.38 0.00 3.64 0.16 0.11 116.57 120.38 1x86 h LYS 949 Ca -0.05 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1x86 h LYS 949 Cb 0.50 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1x86 h LYS 949 CO 0.08 0.66 0.00 0.66 -2.27 0.00 0.00 179.45 178.59 1x86 n TYR 950 N -4.47 0.50 -3.19 1.91 4.01 -0.57 -4.90 117.16 110.46 1x86 n TYR 950 Ca 0.13 -0.25 -0.39 0.00 -0.16 0.00 0.00 57.90 57.22 1x86 n TYR 950 Cb 0.16 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.13 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 -1.50 5.08 -0.16 -0.72 2.01 0.38 -4.53 115.64 116.20 1x86 s THR 951 Ca 0.34 1.10 -0.13 0.00 0.31 0.00 0.00 61.69 63.31 1x86 s THR 951 Cb 0.18 -3.90 -0.08 0.00 0.01 0.00 0.00 72.50 68.72 1x86 s THR 951 CO 0.25 0.18 -0.08 1.21 -0.69 0.00 0.00 174.62 175.50 1x86 n GLU 952 N 4.61 0.49 -2.31 4.92 2.13 -1.26 -4.79 120.64 124.42 1x86 n GLU 952 Ca -0.03 0.53 -0.39 0.00 0.66 0.00 0.00 57.16 57.92 1x86 n GLU 952 Cb 0.50 -1.70 -0.03 0.00 0.27 0.00 0.00 31.44 30.49 1x86 n GLU 952 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1x86 s TRP 953 N -2.30 3.19 0.17 4.31 0.52 -1.26 -4.96 118.94 118.60 1x86 s TRP 953 Ca -0.20 1.56 -0.03 0.00 0.02 0.00 0.00 56.10 57.46 1x86 s TRP 953 Cb 0.04 -3.41 0.03 0.00 -1.15 0.00 0.00 33.47 28.97 1x86 s TRP 953 CO 0.34 -1.22 1.41 -1.00 0.02 0.00 0.00 176.95 176.50 1x86 h PRO 954 N 3.05 0.44 -0.09 4.98 0.13 -1.99 -2.78 132.00 135.73 1x86 h PRO 954 Ca -0.48 -0.37 0.04 0.00 -0.87 0.00 0.00 66.00 64.32 1x86 h PRO 954 Cb 1.23 0.08 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 1x86 h PRO 954 CO 0.64 1.00 -0.14 1.15 -0.23 0.00 0.00 178.00 180.42 1x86 h THR 955 N 0.30 0.63 0.00 1.56 2.02 -1.99 -0.20 112.91 115.22 1x86 h THR 955 Ca -0.04 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.01 1x86 h THR 955 Cb 1.33 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 1x86 h THR 955 CO 0.13 0.00 -0.65 -0.08 0.37 0.00 0.00 175.52 175.29 1x86 h GLU 956 N -0.19 0.00 -0.55 6.66 4.22 -1.98 -2.23 114.58 120.51 1x86 h GLU 956 Ca 0.08 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.45 1x86 h GLU 956 Cb 0.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1x86 h GLU 956 CO -0.21 0.65 0.08 -0.09 -2.18 0.00 0.00 179.01 177.26 1x86 h ARG 957 N 0.00 0.88 -0.17 1.92 2.43 -1.15 -2.25 114.38 116.04 1x86 h ARG 957 Ca -0.01 -0.21 -0.11 0.00 -0.81 0.00 0.00 59.98 58.84 1x86 h ARG 957 Cb 1.17 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 1x86 h ARG 957 CO 0.08 0.83 -0.39 1.49 -1.51 0.00 0.00 179.97 180.47 1x86 h GLU 958 N 0.83 0.38 -0.53 0.20 4.81 -0.44 0.42 114.58 120.25 1x86 h GLU 958 Ca 0.17 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1x86 h GLU 958 Cb 0.38 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1x86 h GLU 958 CO 0.01 0.71 0.12 0.87 -0.73 0.00 0.00 179.01 179.99 1x86 h LYS 959 N 0.32 0.81 -0.00 1.92 1.57 -1.17 -0.53 116.57 119.48 1x86 h LYS 959 Ca 0.03 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1x86 h LYS 959 Cb 0.83 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1x86 h LYS 959 CO 0.07 0.73 -0.06 0.28 -0.57 0.00 0.00 179.45 179.90 1x86 h VAL 960 N 0.78 1.61 -1.18 0.50 2.07 -1.07 0.40 116.25 119.35 1x86 h VAL 960 Ca 0.17 -1.87 0.35 0.00 0.82 0.00 0.00 66.70 66.18 1x86 h VAL 960 Cb 0.29 2.86 -0.11 0.00 -1.52 0.00 0.00 31.29 32.81 1x86 h VAL 960 CO -0.00 0.49 0.76 0.11 0.02 0.00 0.00 177.57 178.95 1x86 h LYS 961 N -0.72 0.22 0.03 1.57 1.57 -0.86 0.54 116.57 118.93 1x86 h LYS 961 Ca -0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1x86 h LYS 961 Cb 0.84 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1x86 h LYS 961 CO 0.01 0.15 -0.01 -0.22 -0.57 0.00 0.00 179.45 178.80 1x86 h LYS 962 N 0.23 -0.04 -1.00 3.15 3.64 -0.69 -1.86 116.57 120.00 1x86 h LYS 962 Ca 0.71 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 60.24 1x86 h LYS 962 Cb 2.06 0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 33.80 1x86 h LYS 962 CO -0.37 0.60 0.62 0.00 -2.27 0.00 0.00 179.45 178.04 1x86 h ALA 963 N -0.25 1.61 0.00 5.00 0.00 -0.46 0.23 119.26 125.39 1x86 h ALA 963 Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1x86 h ALA 963 Cb 0.66 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1x86 h ALA 963 CO 0.01 0.10 -0.09 0.00 0.00 0.00 0.00 179.25 179.27 1x86 h ALA 964 N 1.58 1.23 0.05 0.00 0.00 0.15 -1.49 119.26 120.77 1x86 h ALA 964 Ca 0.52 -0.08 -0.24 0.00 0.00 0.00 0.00 54.91 55.11 1x86 h ALA 964 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1x86 h ALA 964 CO -0.30 0.11 -1.04 0.22 0.00 0.00 0.00 179.25 178.24 1x86 h ASP 965 N 0.00 0.52 -0.27 0.00 3.58 0.26 -3.22 116.42 117.30 1x86 h ASP 965 Ca -0.00 -0.46 -0.01 0.00 0.42 0.00 0.00 57.03 56.97 1x86 h ASP 965 Cb 0.31 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1x86 h ASP 965 CO 0.01 1.29 0.11 0.45 -2.88 0.00 0.00 179.24 178.22 1x86 h HIS 966 N 0.19 0.40 -1.05 0.28 3.86 -0.21 -2.45 115.15 116.17 1x86 h HIS 966 Ca -0.10 -0.03 0.28 0.00 -1.16 0.00 0.00 60.37 59.36 1x86 h HIS 966 Cb 1.71 -0.12 -0.07 0.00 1.06 0.00 0.00 27.41 29.99 1x86 h HIS 966 CO 0.06 0.40 0.71 0.00 0.86 0.00 0.00 177.93 179.97 1x86 h ARG 968 N 0.22 0.32 -0.43 0.00 3.08 -1.48 -3.00 114.38 113.09 1x86 h ARG 968 Ca 0.55 -0.21 0.08 0.00 0.07 0.00 0.00 59.98 60.47 1x86 h ARG 968 Cb 1.72 0.03 -0.09 0.00 0.08 0.00 0.00 29.97 31.70 1x86 h ARG 968 CO -0.16 0.81 -0.40 1.96 -1.07 0.00 0.00 179.97 181.11 1x86 h GLN 969 N -0.12 -0.28 -0.88 0.04 4.20 0.91 0.48 115.11 119.46 1x86 h GLN 969 Ca 0.00 0.02 0.17 0.00 0.06 0.00 0.00 58.65 58.91 1x86 h GLN 969 Cb 0.80 0.06 -0.17 0.00 0.30 0.00 0.00 27.48 28.47 1x86 h GLN 969 CO 0.05 -0.19 -0.22 -0.89 -0.67 0.00 0.00 178.83 176.91 1x86 n ILE 970 N -5.42 -0.37 -0.06 2.54 5.41 -0.45 -0.29 119.36 120.72 1x86 n ILE 970 Ca 0.00 2.01 -0.09 0.00 1.00 0.00 0.00 62.75 65.67 1x86 n ILE 970 Cb 0.35 -2.78 0.07 0.00 -0.71 0.00 0.00 39.64 36.57 1x86 n ILE 970 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1x86 h LEU 971 N 0.00 0.77 -1.26 1.39 3.38 0.03 -1.96 115.31 117.66 1x86 h LEU 971 Ca 0.42 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1x86 h LEU 971 Cb 0.64 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1x86 h LEU 971 CO -0.90 1.04 -0.11 0.78 0.09 0.00 0.00 178.44 179.34 1x86 h ASN 972 N 0.62 0.35 0.50 -0.43 2.35 0.99 0.26 115.58 120.22 1x86 h ASN 972 Ca 0.06 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1x86 h ASN 972 Cb 0.86 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.15 1x86 h ASN 972 CO 0.08 0.50 -0.24 0.15 -1.65 0.00 0.00 177.43 176.26 1x86 h PHE 973 N 0.35 -0.62 -0.35 1.19 3.57 -0.29 0.64 116.94 121.43 1x86 h PHE 973 Ca 0.07 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1x86 h PHE 973 Cb 0.41 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 1x86 h PHE 973 CO 0.01 -0.34 -0.43 0.28 -2.23 0.00 0.00 178.31 175.61 1x86 h VAL 974 N -1.12 0.00 -0.83 1.41 2.07 -1.32 0.70 116.25 117.16 1x86 h VAL 974 Ca -0.07 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.63 1x86 h VAL 974 Cb 0.56 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.22 1x86 h VAL 974 CO 0.11 0.00 0.36 -1.13 0.02 0.00 0.00 177.57 176.93 1x86 h ASN 975 N -0.28 0.34 0.71 0.57 -1.24 -0.52 0.65 115.58 115.81 1x86 h ASN 975 Ca 0.06 0.13 -0.17 0.00 0.71 0.00 0.00 56.30 57.03 1x86 h ASN 975 Cb 0.44 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.57 1x86 h ASN 975 CO -0.47 0.08 -0.78 -0.61 -1.29 0.00 0.00 177.43 174.35 1x86 h GLN 976 N 0.46 0.05 -0.04 6.67 5.75 -0.42 -2.54 115.11 125.04 1x86 h GLN 976 Ca 0.49 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.86 1x86 h GLN 976 Cb 0.81 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 1x86 h GLN 976 CO -0.45 0.80 -0.31 0.00 -2.65 0.00 0.00 178.83 176.22 1x86 h ALA 977 N 1.18 1.42 0.65 3.38 0.00 0.30 -2.38 119.26 123.81 1x86 h ALA 977 Ca -0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1x86 h ALA 977 Cb 1.37 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1x86 h ALA 977 CO 0.11 0.43 -0.31 0.28 0.00 0.00 0.00 179.25 179.75 1x86 h VAL 978 N 0.06 0.00 -0.92 0.00 2.07 0.28 -3.16 116.25 114.57 1x86 h VAL 978 Ca 0.01 -0.18 0.38 0.00 0.82 0.00 0.00 66.70 67.73 1x86 h VAL 978 Cb 0.58 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.20 1x86 h VAL 978 CO 0.04 0.00 0.51 1.17 0.02 0.00 0.00 177.57 179.31 1x86 n LYS 979 N -4.85 -0.05 0.02 1.57 4.81 -0.97 -0.91 118.16 117.78 1x86 n LYS 979 Ca -0.11 1.22 -0.13 0.00 -0.87 0.00 0.00 58.31 58.42 1x86 n LYS 979 Cb 0.35 -2.20 -0.09 0.00 0.02 0.00 0.00 35.03 33.10 1x86 n LYS 979 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x86 h GLU 980 N 0.00 -0.05 0.00 1.64 5.08 -1.40 -2.48 114.58 117.36 1x86 h GLU 980 Ca 0.76 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.12 1x86 h GLU 980 Cb 2.06 0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.32 1x86 h GLU 980 CO -0.66 0.29 0.00 0.00 -1.00 0.00 0.00 179.01 177.64 1x86 n ALA 981 N -2.30 -0.06 -0.21 3.43 0.00 -0.09 -1.97 120.51 119.30 1x86 n ALA 981 Ca -0.08 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.56 1x86 n ALA 981 Cb 0.20 0.08 0.37 0.00 0.00 0.00 0.00 19.45 20.10 1x86 n ALA 981 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x86 n GLU 982 N -0.93 -0.04 0.23 0.00 1.02 -1.09 0.31 120.64 120.14 1x86 n GLU 982 Ca 0.00 0.92 -0.14 0.00 -0.02 0.00 0.00 57.16 57.92 1x86 n GLU 982 Cb 0.00 -1.63 -0.08 0.00 -0.02 0.00 0.00 31.44 29.71 1x86 n GLU 982 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 1x86 h ASN 983 N 0.00 -0.51 -0.80 1.62 2.35 -1.41 -2.14 115.58 114.69 1x86 h ASN 983 Ca 0.54 -0.10 0.19 0.00 -0.55 0.00 0.00 56.30 56.39 1x86 h ASN 983 Cb 1.41 0.13 -0.12 0.00 0.05 0.00 0.00 38.32 39.79 1x86 h ASN 983 CO -0.52 -0.15 0.19 0.50 -1.65 0.00 0.00 177.43 175.80 1x86 h LYS 984 N -0.91 0.24 -0.15 0.81 3.64 0.52 0.80 116.57 121.51 1x86 h LYS 984 Ca -0.06 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1x86 h LYS 984 Cb 0.57 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1x86 h LYS 984 CO 0.10 0.16 0.06 0.37 -2.27 0.00 0.00 179.45 177.87 1x86 h GLN 985 N 0.24 0.23 0.00 1.90 5.75 -1.41 -0.03 115.11 121.80 1x86 h GLN 985 Ca 0.47 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.93 1x86 h GLN 985 Cb 0.86 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.38 1x86 h GLN 985 CO -0.58 0.32 0.00 0.00 -2.65 0.00 0.00 178.83 175.92 1x86 h ARG 986 N 0.09 0.00 0.18 1.69 3.08 -0.40 -0.39 114.38 118.63 1x86 h ARG 986 Ca 0.05 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.77 1x86 h ARG 986 Cb 0.18 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.24 1x86 h ARG 986 CO -0.00 0.00 -1.60 1.25 -1.07 0.00 0.00 179.97 178.54 1x86 h LEU 987 N 0.00 0.61 0.10 3.04 6.46 0.90 -2.62 115.31 123.79 1x86 h LEU 987 Ca 0.00 -0.92 0.00 0.00 -0.12 0.00 0.00 57.88 56.84 1x86 h LEU 987 Cb 0.43 -0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 1x86 h LEU 987 CO 0.00 1.73 -0.09 -0.33 -0.62 0.00 0.00 178.44 179.13 1x86 h GLU 988 N 0.01 -0.20 -0.94 1.25 5.08 -0.92 0.99 114.58 119.86 1x86 h GLU 988 Ca -0.31 0.01 0.30 0.00 -1.00 0.00 0.00 59.36 58.35 1x86 h GLU 988 Cb 2.03 0.05 -0.17 0.00 0.50 0.00 0.00 28.75 31.15 1x86 h GLU 988 CO 0.17 -0.13 0.15 -3.47 -1.00 0.00 0.00 179.01 174.73 1x86 n ASP 989 N -5.20 0.01 0.04 1.42 2.03 -0.16 -1.07 116.55 113.62 1x86 n ASP 989 Ca -0.07 1.58 -0.21 0.00 0.52 0.00 0.00 54.79 56.60 1x86 n ASP 989 Cb 0.13 -0.63 -0.14 0.00 -0.72 0.00 0.00 41.12 39.76 1x86 n ASP 989 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1x86 h TYR 990 N 0.00 0.56 -0.53 -0.67 0.05 -1.06 -3.34 116.97 111.98 1x86 h TYR 990 Ca 0.63 -0.41 0.11 0.00 0.05 0.00 0.00 58.73 59.11 1x86 h TYR 990 Cb 1.43 -0.02 -0.10 0.00 1.01 0.00 0.00 36.73 39.05 1x86 h TYR 990 CO -0.35 1.48 -0.13 0.37 -1.05 0.00 0.00 178.16 178.48 1x86 h GLN 991 N -0.25 -0.00 -0.86 4.88 5.75 0.20 0.63 115.11 125.46 1x86 h GLN 991 Ca -0.25 0.00 0.32 0.00 -0.15 0.00 0.00 58.65 58.57 1x86 h GLN 991 Cb 1.79 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 30.19 1x86 h GLN 991 CO 0.13 -0.00 0.31 -2.13 -2.65 0.00 0.00 178.83 174.49 1x86 n ARG 992 N -5.38 -0.06 -0.62 1.69 0.63 -0.23 0.30 116.66 113.00 1x86 n ARG 992 Ca 0.05 1.22 0.08 0.00 -0.92 0.00 0.00 57.85 58.28 1x86 n ARG 992 Cb 0.28 -2.10 0.34 0.00 0.45 0.00 0.00 32.46 31.42 1x86 n ARG 992 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1x86 n ARG 993 N -5.04 3.70 -2.44 -0.14 1.74 0.22 -4.97 116.66 109.73 1x86 n ARG 993 Ca 0.28 -2.65 -0.40 0.00 -0.77 0.00 0.00 57.85 54.31 1x86 n ARG 993 Cb 0.96 -1.92 -0.04 0.00 -1.02 0.00 0.00 32.46 30.44 1x86 n ARG 993 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1x86 s LEU 994 N -1.87 4.50 -0.03 0.55 2.96 0.15 -2.70 118.68 122.24 1x86 s LEU 994 Ca 0.47 2.30 0.07 0.00 -0.22 0.00 0.00 54.13 56.75 1x86 s LEU 994 Cb 0.32 -3.69 -0.02 0.00 0.50 0.00 0.00 46.19 43.30 1x86 s LEU 994 CO 0.21 -0.23 -0.23 -0.62 -1.32 0.00 0.00 176.35 174.16 1x86 s ASP 995 N -0.90 3.28 0.00 3.68 2.15 -1.16 -5.00 116.67 118.72 1x86 s ASP 995 Ca 0.46 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 53.03 1x86 s ASP 995 Cb -0.32 -0.49 0.00 0.00 -0.30 0.00 0.00 42.92 41.81 1x86 s ASP 995 CO 0.41 0.32 0.00 0.35 -0.17 0.00 0.00 175.17 176.08 1x86 n THR 996 N 2.45 0.00 -0.11 1.71 -2.24 -1.26 -4.82 114.28 110.00 1x86 n THR 996 Ca -0.16 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.42 1x86 n THR 996 Cb 0.51 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.65 1x86 n THR 996 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1x86 n VAL 1007N 0.00 1.28 0.20 2.28 0.31 -1.26 -5.09 118.33 116.05 1x86 n VAL 1007Ca 0.00 -0.41 0.04 0.00 -0.01 0.00 0.00 64.34 63.96 1x86 n VAL 1007Cb 0.00 -1.54 0.43 0.00 -0.91 0.00 0.00 33.84 31.82 1x86 n VAL 1007CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1x86 h GLU 1008N -0.40 0.00 0.18 5.55 4.22 -2.04 0.54 114.58 122.62 1x86 h GLU 1008Ca -0.54 0.00 -0.30 0.00 0.08 0.00 0.00 59.36 58.60 1x86 h GLU 1008Cb 1.65 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.92 1x86 h GLU 1008CO -0.21 0.28 -1.42 1.49 -2.18 0.00 0.00 179.01 176.97 1x86 h GLU 1009N 0.00 0.37 -0.38 1.92 4.81 -2.06 -3.31 114.58 115.93 1x86 h GLU 1009Ca -0.00 -0.64 0.02 0.00 -0.13 0.00 0.00 59.36 58.61 1x86 h GLU 1009Cb 0.50 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 1x86 h GLU 1009CO 0.04 1.30 0.25 -0.07 -0.73 0.00 0.00 179.01 179.81 1x86 h LEU 1010N -0.09 0.37 -1.67 1.64 3.38 -1.78 0.49 115.31 117.66 1x86 h LEU 1010Ca -0.28 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1x86 h LEU 1010Cb 1.94 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.60 1x86 h LEU 1010CO 0.16 0.26 0.00 0.54 0.09 0.00 0.00 178.44 179.49 1x86 n ARG 1011N -4.48 2.08 -0.33 1.13 1.74 0.18 -3.77 116.66 113.20 1x86 n ARG 1011Ca 0.03 -1.64 0.07 0.00 -0.77 0.00 0.00 57.85 55.55 1x86 n ARG 1011Cb 0.13 -1.42 0.18 0.00 -1.02 0.00 0.00 32.46 30.33 1x86 n ARG 1011CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1x86 n ASN 1012N 0.84 2.44 -4.55 0.55 4.13 0.12 -5.02 115.26 113.78 1x86 n ASN 1012Ca 0.17 -3.34 -0.32 0.00 1.68 0.00 0.00 54.58 52.76 1x86 n ASN 1012Cb 0.43 -0.49 -0.04 0.00 -1.54 0.00 0.00 39.78 38.14 1x86 n ASN 1012CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1x86 s LEU 1013N -3.00 3.26 -1.18 3.41 0.20 -0.94 -4.89 118.68 115.54 1x86 s LEU 1013Ca 0.36 0.47 -0.11 0.00 0.69 0.00 0.00 54.13 55.54 1x86 s LEU 1013Cb 0.32 -2.52 0.22 0.00 -0.43 0.00 0.00 46.19 43.78 1x86 s LEU 1013CO 0.01 -2.85 1.40 -0.67 -0.29 0.00 0.00 176.35 173.95 1x86 n ASP 1014N 15.05 5.42 -0.17 3.68 4.64 -1.26 -4.86 116.55 139.04 1x86 n ASP 1014Ca 0.33 -3.06 -0.04 0.00 -1.38 0.00 0.00 54.79 50.65 1x86 n ASP 1014Cb 0.51 -1.47 -0.03 0.00 -1.04 0.00 0.00 41.12 39.09 1x86 n ASP 1014CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1x86 n LEU 1015N 4.06 -0.42 0.00 -2.67 4.77 -1.26 -0.07 117.00 121.41 1x86 n LEU 1015Ca 0.32 0.75 0.06 0.00 -0.03 0.00 0.00 56.01 57.11 1x86 n LEU 1015Cb 0.40 -0.11 0.37 0.00 -2.33 0.00 0.00 43.42 41.75 1x86 n LEU 1015CO 0.61 -0.62 0.59 0.35 -1.33 0.00 0.00 177.39 176.99 1x86 n THR 1016N -4.54 0.00 0.25 -5.08 -2.24 -1.26 -1.06 114.28 100.34 1x86 n THR 1016Ca 0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1x86 n THR 1016Cb 0.12 -0.64 0.22 0.00 -2.10 0.00 0.00 70.33 67.94 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 0.00 0.00 -6.20 -0.78 1.79 -0.89 -3.47 116.57 107.02 1x86 h LYS 1017Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 1x86 h LYS 1017Cb 0.00 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 30.42 1x86 h LYS 1017CO 0.00 0.00 -0.84 -0.98 -1.08 0.00 0.00 179.45 176.55 1x86 s ARG 1018N -3.24 1.26 0.16 3.15 1.70 -0.23 -5.12 118.95 116.63 1x86 s ARG 1018Ca 0.07 -1.09 -0.30 0.00 -0.47 0.00 0.00 55.73 53.93 1x86 s ARG 1018Cb 0.06 -1.48 -0.08 0.00 -0.57 0.00 0.00 34.95 32.88 1x86 s ARG 1018CO 0.65 0.36 1.28 0.15 -1.08 0.00 0.00 175.30 176.67 1x86 s LYS 1019N -1.63 4.41 0.48 3.89 1.02 -1.26 -4.85 119.74 121.79 1x86 s LYS 1019Ca 0.07 1.98 -0.16 0.00 0.02 0.00 0.00 55.97 57.89 1x86 s LYS 1019Cb -0.10 -3.23 -0.08 0.00 -0.52 0.00 0.00 37.83 33.90 1x86 s LYS 1019CO 0.03 -0.25 0.93 1.41 -0.92 0.00 0.00 175.35 176.55 1x86 s MET 1020N 0.21 3.94 0.12 1.68 -2.45 -1.26 -1.90 119.30 119.63 1x86 s MET 1020Ca 0.57 0.85 0.00 0.00 -1.25 0.00 0.00 55.69 55.86 1x86 s MET 1020Cb -0.35 -2.21 0.00 0.00 1.25 0.00 0.00 34.83 33.53 1x86 s MET 1020CO 0.35 -0.18 0.00 -0.89 1.05 0.00 0.00 175.02 175.35 1x86 n ILE 1021N -1.40 1.12 -3.96 10.11 2.08 0.65 -4.94 119.36 123.02 1x86 n ILE 1021Ca 0.06 0.37 -0.13 0.00 0.56 0.00 0.00 62.75 63.60 1x86 n ILE 1021Cb 0.54 -1.49 -0.14 0.00 -0.75 0.00 0.00 39.64 37.80 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 -2.00 0.14 0.07 1.39 2.46 -1.18 -5.00 115.29 111.18 1x86 s HIS 1022Ca 0.00 -0.03 0.06 0.00 0.47 0.00 0.00 55.06 55.56 1x86 s HIS 1022Cb 0.00 -0.09 -0.03 0.00 -0.13 0.00 0.00 32.58 32.33 1x86 s HIS 1022CO 0.00 -0.00 -0.17 -1.83 -2.47 0.00 0.00 174.74 170.27 1x86 s GLU 1023N -0.06 1.03 0.00 2.88 -1.05 -1.26 0.11 118.70 120.35 1x86 s GLU 1023Ca 0.00 -0.95 0.00 0.00 -0.15 0.00 0.00 54.97 53.87 1x86 s GLU 1023Cb -0.01 -1.12 0.00 0.00 -0.44 0.00 0.00 34.13 32.56 1x86 s GLU 1023CO -0.00 0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.89 1x86 n GLY 1024N 1.50 1.31 3.76 -3.83 0.00 -0.52 -5.01 105.19 102.40 1x86 n GLY 1024Ca -0.19 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 1x86 n GLY 1024CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1x86 s PRO 1025N -2.00 4.51 0.34 1.61 0.02 -1.26 -0.98 135.00 137.24 1x86 s PRO 1025Ca 0.00 1.86 0.05 0.00 0.02 0.00 0.00 61.00 62.93 1x86 s PRO 1025Cb 0.00 -3.09 -0.03 0.00 0.02 0.00 0.00 34.50 31.40 1x86 s PRO 1025CO 0.00 0.08 0.19 -0.51 -0.33 0.00 0.00 177.00 176.43 1x86 s LEU 1026N -1.67 1.78 -0.45 -5.54 1.43 -1.22 -4.65 118.68 108.36 1x86 s LEU 1026Ca 0.47 -1.66 0.07 0.00 -1.03 0.00 0.00 54.13 51.97 1x86 s LEU 1026Cb -0.33 0.24 0.23 0.00 0.03 0.00 0.00 46.19 46.36 1x86 s LEU 1026CO 0.42 -0.96 0.52 0.52 0.23 0.00 0.00 176.35 177.07 1x86 n VAL 1027N -0.69 -0.18 -1.42 -1.59 0.31 0.17 -2.94 118.33 112.00 1x86 n VAL 1027Ca 0.01 -4.13 -0.47 0.00 -0.01 0.00 0.00 64.34 59.75 1x86 n VAL 1027Cb 0.64 -1.93 -0.02 0.00 -0.91 0.00 0.00 33.84 31.62 1x86 n VAL 1027CO 0.00 0.00 0.00 1.87 -1.32 0.00 0.00 176.83 177.38 1x86 n TRP 1028N 1.67 -0.41 -3.59 3.52 -0.00 -1.20 -2.64 117.44 114.79 1x86 n TRP 1028Ca 0.24 0.89 -0.28 0.00 -0.00 0.00 0.00 57.50 58.36 1x86 n TRP 1028Cb 0.49 -1.98 -0.11 0.00 -0.00 0.00 0.00 31.31 29.71 1x86 n TRP 1028CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1x86 s LYS 1029N -1.09 1.47 0.39 5.87 1.02 -1.12 -3.59 119.74 122.70 1x86 s LYS 1029Ca 0.63 -2.53 0.28 0.00 0.02 0.00 0.00 55.97 54.37 1x86 s LYS 1029Cb -0.86 -2.18 1.10 0.00 -0.52 0.00 0.00 37.83 35.37 1x86 s LYS 1029CO 0.57 -1.34 1.83 -0.24 -0.92 0.00 0.00 175.35 175.26 1x86 h VAL 1030N 4.59 0.00 -2.67 3.17 3.04 -1.83 -3.39 116.25 119.16 1x86 h VAL 1030Ca 0.21 -0.42 -0.11 0.00 -1.01 0.00 0.00 66.70 65.37 1x86 h VAL 1030Cb 0.86 1.30 -0.23 0.00 -2.01 0.00 0.00 31.29 31.21 1x86 h VAL 1030CO 0.50 0.00 -0.19 0.21 -1.01 0.00 0.00 177.57 177.08 1x86 s ASN 1031N -5.01 -0.45 0.05 3.17 2.47 -1.19 -5.03 114.94 108.94 1x86 s ASN 1031Ca 0.04 0.84 -0.28 0.00 0.42 0.00 0.00 52.86 53.88 1x86 s ASN 1031Cb 0.09 0.86 -0.17 0.00 -1.45 0.00 0.00 41.25 40.58 1x86 s ASN 1031CO 0.49 -0.19 1.50 -0.09 -3.72 0.00 0.00 177.10 175.09 1x86 h ARG 1032N 5.27 -0.48 0.00 0.43 2.43 -2.00 -2.97 114.38 117.07 1x86 h ARG 1032Ca -0.27 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 1x86 h ARG 1032Cb 1.18 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 1x86 h ARG 1032CO 0.24 -0.24 0.00 -0.25 -1.51 0.00 0.00 179.97 178.21 1x86 n ASP 1033N -5.25 0.00 -3.16 -3.80 10.43 -1.26 -4.04 116.55 109.48 1x86 n ASP 1033Ca -0.10 0.25 0.02 0.00 2.57 0.00 0.00 54.79 57.53 1x86 n ASP 1033Cb 0.25 -0.32 -0.01 0.00 1.84 0.00 0.00 41.12 42.88 1x86 n ASP 1033CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 1x86 s LYS 1034N -2.65 0.68 -0.13 -1.24 1.02 -1.13 -5.15 119.74 111.14 1x86 s LYS 1034Ca 0.05 -0.03 -0.06 0.00 0.02 0.00 0.00 55.97 55.95 1x86 s LYS 1034Cb 0.04 0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.44 1x86 s LYS 1034CO 0.09 -1.05 0.07 0.95 -0.92 0.00 0.00 175.35 174.49 1x86 s THR 1035N 2.14 4.89 0.02 2.17 -4.23 -1.14 -3.18 115.64 116.30 1x86 s THR 1035Ca 0.15 -0.02 0.07 0.00 -1.18 0.00 0.00 61.69 60.71 1x86 s THR 1035Cb -0.05 -3.13 -0.02 0.00 1.34 0.00 0.00 72.50 70.64 1x86 s THR 1035CO -0.13 0.56 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.68 1x86 s ILE 1036N -0.51 1.62 1.13 2.99 1.01 -1.24 -5.06 121.20 121.14 1x86 s ILE 1036Ca 0.11 -1.04 -0.18 0.00 0.00 0.00 0.00 60.65 59.54 1x86 s ILE 1036Cb -0.12 -1.38 0.26 0.00 0.01 0.00 0.00 42.46 41.22 1x86 s ILE 1036CO 0.02 0.31 1.14 -1.81 0.00 0.00 0.00 174.94 174.60 1x86 s ASP 1037N -0.86 1.56 0.26 3.58 1.11 -1.26 -3.25 116.67 117.81 1x86 s ASP 1037Ca 0.07 0.67 -0.21 0.00 0.18 0.00 0.00 52.55 53.26 1x86 s ASP 1037Cb -0.08 -0.95 0.03 0.00 1.07 0.00 0.00 42.92 42.98 1x86 s ASP 1037CO 0.01 -3.73 0.69 -0.76 1.18 0.00 0.00 175.17 172.55 1x86 s LEU 1038N -6.69 -0.30 -0.23 1.23 1.43 -1.15 -4.77 118.68 108.20 1x86 s LEU 1038Ca 0.70 -0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 1x86 s LEU 1038Cb -0.10 2.68 0.12 0.00 0.03 0.00 0.00 46.19 48.92 1x86 s LEU 1038CO 0.56 -1.28 0.40 -0.47 0.23 0.00 0.00 176.35 175.79 1x86 s TYR 1039N -3.89 -0.85 0.04 0.29 6.14 -0.71 -3.37 117.35 115.01 1x86 s TYR 1039Ca 0.09 1.07 0.07 0.00 0.64 0.00 0.00 57.07 58.94 1x86 s TYR 1039Cb -0.05 0.12 -0.03 0.00 0.42 0.00 0.00 41.96 42.42 1x86 s TYR 1039CO 0.03 -0.66 -0.17 0.99 0.64 0.00 0.00 175.55 176.39 1x86 s THR 1040N 2.58 2.87 -0.08 4.34 2.01 -0.15 -2.40 115.64 124.80 1x86 s THR 1040Ca 0.09 -1.15 0.03 0.00 0.31 0.00 0.00 61.69 60.97 1x86 s THR 1040Cb -0.14 -2.21 0.01 0.00 0.01 0.00 0.00 72.50 70.16 1x86 s THR 1040CO -0.15 0.34 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.19 1x86 s LEU 1041N -1.44 1.84 -0.18 4.42 1.43 -0.59 -1.44 118.68 122.71 1x86 s LEU 1041Ca 0.15 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 52.77 1x86 s LEU 1041Cb -0.11 -1.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.01 1x86 s LEU 1041CO 0.06 0.09 0.05 -0.22 0.23 0.00 0.00 176.35 176.56 1x86 s LEU 1042N 0.49 3.74 0.00 1.79 2.96 0.30 0.16 118.68 128.13 1x86 s LEU 1042Ca -0.16 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1x86 s LEU 1042Cb -0.16 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.58 1x86 s LEU 1042CO 0.06 0.16 0.06 0.18 -1.32 0.00 0.00 176.35 175.49 1x86 n LEU 1043N 3.60 0.00 0.24 -0.68 4.77 0.20 -0.25 117.00 124.87 1x86 n LEU 1043Ca -0.17 -1.89 0.16 0.00 -0.03 0.00 0.00 56.01 54.08 1x86 n LEU 1043Cb 0.52 0.50 0.84 0.00 -2.33 0.00 0.00 43.42 42.95 1x86 n LEU 1043CO 0.35 -0.29 0.99 -0.08 -1.33 0.00 0.00 177.39 177.03 1x86 h GLU 1044N 0.00 0.00 0.00 3.23 4.81 -1.71 -3.22 114.58 117.69 1x86 h GLU 1044Ca -0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1x86 h GLU 1044Cb 0.74 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1x86 h GLU 1044CO 0.34 0.00 -0.00 -0.40 -0.73 0.00 0.00 179.01 178.22 1x86 n ASP 1045N -2.65 0.00 -3.76 1.04 3.85 -1.26 -4.88 116.55 108.89 1x86 n ASP 1045Ca -0.02 -1.00 -0.13 0.00 -0.71 0.00 0.00 54.79 52.93 1x86 n ASP 1045Cb 0.09 -0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 39.75 1x86 n ASP 1045CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1x86 s ILE 1046N 0.00 -0.00 -0.12 2.12 1.01 -1.22 -1.85 121.20 121.14 1x86 s ILE 1046Ca 0.00 0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.57 1x86 s ILE 1046Cb 0.00 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 1x86 s ILE 1046CO 0.00 0.01 0.21 -0.22 0.00 0.00 0.00 174.94 174.93 1x86 s LEU 1047N 0.32 4.36 -0.15 2.97 2.96 -1.25 0.61 118.68 128.50 1x86 s LEU 1047Ca -0.01 0.53 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 1x86 s LEU 1047Cb -0.03 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.46 1x86 s LEU 1047CO -0.01 0.32 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.45 1x86 s VAL 1048N -0.64 2.27 -0.48 1.68 1.01 0.12 -2.20 120.40 122.17 1x86 s VAL 1048Ca 0.16 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 1x86 s VAL 1048Cb -0.13 -1.93 0.08 0.00 0.00 0.00 0.00 36.38 34.41 1x86 s VAL 1048CO 0.05 0.54 0.40 -0.76 0.00 0.00 0.00 175.10 175.33 1x86 s LEU 1049N 0.84 5.68 -0.18 3.92 1.43 -0.58 -1.55 118.68 128.25 1x86 s LEU 1049Ca -0.06 -1.41 -0.06 0.00 -1.03 0.00 0.00 54.13 51.57 1x86 s LEU 1049Cb -0.15 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1x86 s LEU 1049CO -0.02 -0.67 0.03 -0.76 0.23 0.00 0.00 176.35 175.16 1x86 s LEU 1050N 1.62 3.65 -0.08 1.79 1.43 -1.01 -4.90 118.68 121.18 1x86 s LEU 1050Ca 0.04 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.05 1x86 s LEU 1050Cb -0.25 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 1x86 s LEU 1050CO 0.06 0.17 0.26 -1.10 0.23 0.00 0.00 176.35 175.97 1x86 s GLN 1051N 0.39 3.73 -0.17 1.70 -0.21 -0.69 -1.73 119.66 122.68 1x86 s GLN 1051Ca 0.01 0.11 -0.01 0.00 0.02 0.00 0.00 55.36 55.50 1x86 s GLN 1051Cb -0.13 -3.23 -0.00 0.00 1.00 0.00 0.00 33.01 30.65 1x86 s GLN 1051CO 0.01 0.68 -0.13 -1.59 -2.12 0.00 0.00 175.29 172.14 1x86 s LYS 1052N -0.88 3.23 -0.15 2.91 -2.85 -1.26 0.53 119.74 121.26 1x86 s LYS 1052Ca 0.19 -0.73 0.02 0.00 -1.00 0.00 0.00 55.97 54.44 1x86 s LYS 1052Cb -0.14 -2.70 0.02 0.00 -2.06 0.00 0.00 37.83 32.94 1x86 s LYS 1052CO 0.08 -0.05 -0.19 -0.65 0.10 0.00 0.00 175.35 174.63 1x86 s GLN 1053N 1.01 2.81 2.82 1.78 -0.21 -0.96 -5.03 119.66 121.87 1x86 s GLN 1053Ca -0.01 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 54.60 1x86 s GLN 1053Cb -0.15 -2.36 0.00 0.00 1.00 0.00 0.00 33.01 31.51 1x86 s GLN 1053CO -0.03 -0.11 0.00 -0.25 -2.12 0.00 0.00 175.29 172.79 1x86 n ASP 1054N 4.34 0.00 -0.09 5.90 9.92 -1.26 -2.27 116.55 133.09 1x86 n ASP 1054Ca -0.20 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 53.86 1x86 n ASP 1054Cb 0.51 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.86 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 6.28 2.02 -4.95 -2.24 8.00 -1.26 -5.03 116.55 119.37 1x86 n ASP 1055Ca 0.00 0.01 -0.23 0.00 0.71 0.00 0.00 54.79 55.28 1x86 n ASP 1055Cb 0.00 -0.59 -0.00 0.00 -0.02 0.00 0.00 41.12 40.51 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 -2.53 3.27 -0.12 -1.24 0.52 -0.96 -5.04 118.95 112.86 1x86 s ARG 1056Ca -0.31 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 54.48 1x86 s ARG 1056Cb 0.09 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.94 1x86 s ARG 1056CO 0.64 -0.05 -0.21 -0.51 0.02 0.00 0.00 175.30 175.20 1x86 s LEU 1057N -4.42 2.01 0.00 2.53 1.43 -1.10 -2.27 118.68 116.87 1x86 s LEU 1057Ca 0.44 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 1x86 s LEU 1057Cb -0.10 -1.34 0.00 0.00 0.03 0.00 0.00 46.19 44.78 1x86 s LEU 1057CO 0.37 0.10 0.00 0.52 0.23 0.00 0.00 176.35 177.56 1x86 n VAL 1058N 3.87 0.00 -1.47 -1.59 0.31 0.19 -3.00 118.33 116.64 1x86 n VAL 1058Ca -0.20 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 63.96 1x86 n VAL 1058Cb 0.52 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.29 1x86 n VAL 1058CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1x86 n SER 1077N 0.00 -0.49 0.03 4.52 7.64 -1.26 -1.70 113.62 122.37 1x86 n SER 1077Ca 0.00 -0.99 0.13 0.00 1.01 0.00 0.00 58.87 59.01 1x86 n SER 1077Cb 0.00 -0.91 0.33 0.00 -1.01 0.00 0.00 64.21 62.62 1x86 n SER 1077CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1x86 n PRO 1078N 6.44 0.12 -3.83 1.43 -0.04 -1.26 -4.59 135.00 133.27 1x86 n PRO 1078Ca 0.54 0.05 -0.35 0.00 -0.04 0.00 0.00 63.50 63.71 1x86 n PRO 1078Cb 0.27 -1.60 -0.09 0.00 -0.04 0.00 0.00 33.50 32.05 1x86 n PRO 1078CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x86 s VAL 1079N -3.06 5.19 -0.56 0.52 1.01 -1.26 -1.52 120.40 120.71 1x86 s VAL 1079Ca 0.10 0.11 0.06 0.00 0.00 0.00 0.00 61.98 62.25 1x86 s VAL 1079Cb 0.16 -3.36 0.31 0.00 0.00 0.00 0.00 36.38 33.49 1x86 s VAL 1079CO 0.65 0.45 0.85 -0.38 0.00 0.00 0.00 175.10 176.68 1x86 n ILE 1080N 3.50 2.35 -1.62 2.22 5.41 -0.93 -5.01 119.36 125.29 1x86 n ILE 1080Ca -0.16 -5.30 -0.50 0.00 1.00 0.00 0.00 62.75 57.78 1x86 n ILE 1080Cb 0.52 -1.48 -0.05 0.00 -0.71 0.00 0.00 39.64 37.92 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 0.17 1.47 0.00 0.38 5.02 -1.26 -3.80 118.16 120.15 1x86 n LYS 1081Ca 0.30 0.53 0.14 0.00 -2.02 0.00 0.00 58.31 57.26 1x86 n LYS 1081Cb 0.43 -2.21 0.63 0.00 -0.02 0.00 0.00 35.03 33.86 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 2.78 0.96 -0.33 -0.35 4.77 -0.77 -3.80 117.00 120.26 1x86 n LEU 1082Ca 0.18 -0.29 0.17 0.00 -0.03 0.00 0.00 56.01 56.03 1x86 n LEU 1082Cb 0.22 -0.03 0.33 0.00 -2.33 0.00 0.00 43.42 41.61 1x86 n LEU 1082CO 0.63 0.16 0.80 -1.20 -1.33 0.00 0.00 177.39 176.45 1x86 n SER 1083N -0.32 -0.04 -3.61 -1.43 7.64 -1.26 -3.36 113.62 111.23 1x86 n SER 1083Ca 0.19 1.62 -0.29 0.00 1.01 0.00 0.00 58.87 61.40 1x86 n SER 1083Cb 0.28 -0.62 -0.15 0.00 -1.01 0.00 0.00 64.21 62.72 1x86 n SER 1083CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1x86 s THR 1084N -5.87 0.33 0.00 0.44 -4.23 -1.25 -4.67 115.64 100.39 1x86 s THR 1084Ca -0.12 -1.09 -0.07 0.00 -1.18 0.00 0.00 61.69 59.23 1x86 s THR 1084Cb 0.29 -1.26 0.00 0.00 1.34 0.00 0.00 72.50 72.86 1x86 s THR 1084CO 0.75 -0.73 0.13 -0.69 -0.54 0.00 0.00 174.62 173.54 1x86 s VAL 1085N 1.82 0.08 0.04 2.29 1.01 -1.21 -4.65 120.40 119.77 1x86 s VAL 1085Ca 0.10 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1x86 s VAL 1085Cb -0.17 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 1x86 s VAL 1085CO -0.30 -0.37 -0.02 -0.76 0.00 0.00 0.00 175.10 173.66 1x86 s LEU 1086N -1.32 2.33 0.07 3.92 1.43 -1.25 -4.95 118.68 118.91 1x86 s LEU 1086Ca -0.14 -0.79 0.09 0.00 -1.03 0.00 0.00 54.13 52.26 1x86 s LEU 1086Cb -0.07 0.22 -0.03 0.00 0.03 0.00 0.00 46.19 46.33 1x86 s LEU 1086CO 0.01 -0.50 -0.24 -0.69 0.23 0.00 0.00 176.35 175.17 1x86 s VAL 1087N -3.00 1.93 0.00 -1.59 1.01 -1.22 -2.25 120.40 115.28 1x86 s VAL 1087Ca -0.02 -1.42 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1x86 s VAL 1087Cb 0.01 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1x86 s VAL 1087CO -0.07 0.19 0.00 -1.14 0.00 0.00 0.00 175.10 174.08 1x86 n ARG 1088N 1.52 0.00 -3.57 2.72 3.00 -1.09 -4.91 116.66 114.33 1x86 n ARG 1088Ca -0.18 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 57.61 1x86 n ARG 1088Cb 0.53 0.00 0.02 0.00 0.00 0.00 0.00 32.46 33.01 1x86 n ARG 1088CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 1x86 n GLN 1089N 0.00 0.89 0.00 -0.14 7.27 -1.26 -3.71 117.38 120.43 1x86 n GLN 1089Ca 0.00 -1.81 0.00 0.00 0.07 0.00 0.00 57.00 55.26 1x86 n GLN 1089Cb 0.00 2.31 0.00 0.00 2.41 0.00 0.00 30.24 34.96 1x86 n GLN 1089CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1x86 n VAL 1090N -0.55 0.00 -0.08 1.69 0.31 -1.26 -4.92 118.33 113.52 1x86 n VAL 1090Ca -0.06 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.15 1x86 n VAL 1090Cb 0.54 -0.42 -0.06 0.00 -0.91 0.00 0.00 33.84 32.99 1x86 n VAL 1090CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1x86 n ASN 1094N -0.59 1.83 -3.19 4.52 4.13 -1.26 -5.21 115.26 115.48 1x86 n ASN 1094Ca 0.00 0.55 -0.27 0.00 1.68 0.00 0.00 54.58 56.54 1x86 n ASN 1094Cb 0.00 -0.91 -0.06 0.00 -1.54 0.00 0.00 39.78 37.27 1x86 n ASN 1094CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1x86 n LYS 1095N -4.54 2.85 -3.72 3.52 4.01 -1.26 -5.03 118.16 113.99 1x86 n LYS 1095Ca -0.17 -4.75 -0.22 0.00 -0.51 0.00 0.00 58.31 52.65 1x86 n LYS 1095Cb 0.43 -2.24 -0.18 0.00 -0.51 0.00 0.00 35.03 32.54 1x86 n LYS 1095CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1x86 s ALA 1096N -2.94 0.52 0.33 7.82 0.00 -1.26 -2.16 121.76 124.07 1x86 s ALA 1096Ca 0.44 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.42 1x86 s ALA 1096Cb 0.21 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 1x86 s ALA 1096CO -0.07 -0.56 0.38 -0.51 0.00 0.00 0.00 175.76 175.00 1x86 s LEU 1097N 2.05 3.84 -0.49 0.00 1.43 -1.21 -4.13 118.68 120.18 1x86 s LEU 1097Ca 0.04 -0.30 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1x86 s LEU 1097Cb -0.13 -2.53 0.13 0.00 0.03 0.00 0.00 46.19 43.69 1x86 s LEU 1097CO -0.05 -0.36 0.25 -0.36 0.23 0.00 0.00 176.35 176.06 1x86 s PHE 1098N -2.21 3.45 0.21 0.29 0.08 -1.24 -3.33 117.98 115.21 1x86 s PHE 1098Ca 0.42 -2.89 -0.30 0.00 0.12 0.00 0.00 56.93 54.29 1x86 s PHE 1098Cb -0.08 -3.02 -0.08 0.00 -0.57 0.00 0.00 43.02 39.27 1x86 s PHE 1098CO 0.29 -0.86 1.07 0.08 -0.10 0.00 0.00 175.22 175.70 1x86 s VAL 1099N 0.29 3.85 0.04 -0.44 1.01 -1.15 -2.66 120.40 121.34 1x86 s VAL 1099Ca 0.14 1.69 0.05 0.00 0.00 0.00 0.00 61.98 63.86 1x86 s VAL 1099Cb -0.22 -4.08 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 1x86 s VAL 1099CO -0.03 0.34 -0.15 -0.63 0.00 0.00 0.00 175.10 174.62 1x86 s ILE 1100N -0.60 1.23 0.01 2.22 1.01 -0.95 -1.55 121.20 122.57 1x86 s ILE 1100Ca 0.47 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1x86 s ILE 1100Cb -0.29 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1x86 s ILE 1100CO 0.36 0.06 0.00 -1.20 0.00 0.00 0.00 174.94 174.15 1x86 n SER 1101N 1.92 -0.07 -1.80 3.58 7.64 -1.26 -3.90 113.62 119.73 1x86 n SER 1101Ca -0.18 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1x86 n SER 1101Cb 0.54 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.99 1x86 n SER 1101CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x86 n GLN 1108N -2.54 -4.53 -4.27 1.43 6.02 -1.26 -5.05 117.38 107.19 1x86 n GLN 1108Ca 0.00 3.30 -0.18 0.00 -0.01 0.00 0.00 57.00 60.12 1x86 n GLN 1108Cb 0.00 -3.74 -0.13 0.00 1.02 0.00 0.00 30.24 27.39 1x86 n GLN 1108CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1x86 s ILE 1109N -2.42 0.78 -0.26 5.09 1.01 -1.26 -5.05 121.20 119.08 1x86 s ILE 1109Ca 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.92 1x86 s ILE 1109Cb 0.00 -0.71 0.08 0.00 0.01 0.00 0.00 42.46 41.84 1x86 s ILE 1109CO 0.00 -0.00 0.03 -0.31 0.00 0.00 0.00 174.94 174.66 1x86 s TYR 1110N -0.67 1.95 0.41 3.97 1.51 -0.59 -4.88 117.35 119.05 1x86 s TYR 1110Ca -0.00 -1.66 -0.24 0.00 -1.01 0.00 0.00 57.07 54.16 1x86 s TYR 1110Cb -0.06 -1.63 -0.08 0.00 -0.11 0.00 0.00 41.96 40.08 1x86 s TYR 1110CO 0.00 -0.79 1.13 -2.00 -1.11 0.00 0.00 175.55 172.79 1x86 s GLU 1111N 1.54 4.01 -0.20 -0.62 2.12 -1.25 -2.91 118.70 121.40 1x86 s GLU 1111Ca 0.03 1.73 -0.04 0.00 0.36 0.00 0.00 54.97 57.05 1x86 s GLU 1111Cb -0.18 -2.58 0.10 0.00 0.26 0.00 0.00 34.13 31.73 1x86 s GLU 1111CO -0.14 -0.32 0.28 -0.51 -0.54 0.00 0.00 175.26 174.03 1x86 s LEU 1112N -2.66 -0.32 -0.40 2.70 1.43 -1.21 -2.78 118.68 115.45 1x86 s LEU 1112Ca 0.59 0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 53.68 1x86 s LEU 1112Cb -0.28 0.69 0.03 0.00 0.03 0.00 0.00 46.19 46.66 1x86 s LEU 1112CO 0.35 -0.30 0.26 -0.69 0.23 0.00 0.00 176.35 176.20 1x86 s VAL 1113N 2.42 4.91 0.71 -1.59 1.01 -1.08 -3.29 120.40 123.49 1x86 s VAL 1113Ca 0.07 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 1x86 s VAL 1113Cb -0.15 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.50 1x86 s VAL 1113CO -0.12 -0.30 1.19 0.00 0.00 0.00 0.00 175.10 175.87 1x86 s ALA 1114N 1.61 2.19 -1.08 5.51 0.00 -0.92 -0.66 121.76 128.42 1x86 s ALA 1114Ca 0.03 0.83 0.21 0.00 0.00 0.00 0.00 51.96 53.04 1x86 s ALA 1114Cb -0.20 -3.45 -0.20 0.00 0.00 0.00 0.00 23.12 19.28 1x86 s ALA 1114CO 0.08 -1.75 0.90 1.04 0.00 0.00 0.00 175.76 176.03 1x86 n GLN 1115N -2.62 0.25 -4.26 0.00 6.02 -1.26 -4.89 117.38 110.62 1x86 n GLN 1115Ca 0.13 -0.10 -0.15 0.00 -0.01 0.00 0.00 57.00 56.88 1x86 n GLN 1115Cb 0.50 -1.48 -0.10 0.00 1.02 0.00 0.00 30.24 30.19 1x86 n GLN 1115CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1x86 s THR 1116N -2.91 0.20 0.00 5.09 -4.23 -1.26 -5.14 115.64 107.39 1x86 s THR 1116Ca 0.09 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1x86 s THR 1116Cb 0.16 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.46 1x86 s THR 1116CO 0.82 0.00 0.28 0.52 -0.54 0.00 0.00 174.62 175.70 1x86 n VAL 1117N -0.39 0.00 -0.27 2.29 0.31 -1.26 -3.96 118.33 115.04 1x86 n VAL 1117Ca 0.02 0.57 0.18 0.00 -0.01 0.00 0.00 64.34 65.10 1x86 n VAL 1117Cb 0.66 -1.17 0.34 0.00 -0.91 0.00 0.00 33.84 32.76 1x86 n VAL 1117CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1x86 n SER 1118N -0.95 0.06 -0.07 4.52 2.88 -1.26 0.81 113.62 119.62 1x86 n SER 1118Ca 0.00 1.38 0.24 0.00 -1.33 0.00 0.00 58.87 59.16 1x86 n SER 1118Cb 0.00 -0.57 0.71 0.00 -0.75 0.00 0.00 64.21 63.60 1x86 n SER 1118CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1x86 h GLU 1119N 0.00 0.00 -0.30 -1.46 5.08 -2.01 -1.58 114.58 114.31 1x86 h GLU 1119Ca 0.58 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.78 1x86 h GLU 1119Cb 1.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 1x86 h GLU 1119CO -0.71 0.00 -0.44 1.57 -1.00 0.00 0.00 179.01 178.42 1x86 h LYS 1120N 0.00 0.83 -0.39 2.33 5.09 0.28 -2.32 116.57 122.39 1x86 h LYS 1120Ca 0.32 -0.49 -0.12 0.00 0.09 0.00 0.00 60.65 60.45 1x86 h LYS 1120Cb 1.34 0.04 -0.01 0.00 0.10 0.00 0.00 32.23 33.70 1x86 h LYS 1120CO -0.00 1.13 -0.26 1.15 -2.09 0.00 0.00 179.45 179.37 1x86 h THR 1121N 0.60 1.27 0.54 0.07 2.02 -1.43 -2.64 112.91 113.35 1x86 h THR 1121Ca 0.03 -1.39 -0.02 0.00 0.77 0.00 0.00 66.41 65.80 1x86 h THR 1121Cb 1.04 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 1x86 h THR 1121CO 0.10 0.47 -0.50 0.58 0.37 0.00 0.00 175.52 176.53 1x86 h VAL 1122N 0.69 0.00 -0.37 3.16 2.07 -1.48 -2.16 116.25 118.16 1x86 h VAL 1122Ca 0.09 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.65 1x86 h VAL 1122Cb 0.79 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.48 1x86 h VAL 1122CO 0.07 0.00 -0.53 -0.50 0.02 0.00 0.00 177.57 176.62 1x86 h TRP 1123N -1.03 -1.63 0.00 1.57 4.06 -1.34 -2.78 115.95 114.80 1x86 h TRP 1123Ca -0.07 0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.96 1x86 h TRP 1123Cb 0.89 0.76 0.00 0.00 -1.00 0.00 0.00 29.16 29.81 1x86 h TRP 1123CO -0.24 -0.47 0.00 0.94 -3.56 0.00 0.00 178.44 175.11 1x86 n GLN 1124N -5.25 0.00 -0.25 0.49 7.27 -1.00 -2.29 117.38 116.34 1x86 n GLN 1124Ca -0.04 0.78 -0.03 0.00 0.07 0.00 0.00 57.00 57.79 1x86 n GLN 1124Cb 0.33 -1.43 -0.01 0.00 2.41 0.00 0.00 30.24 31.54 1x86 n GLN 1124CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1x86 n ASP 1125N -2.46 -0.49 0.14 1.69 -0.08 -0.82 0.30 116.55 114.83 1x86 n ASP 1125Ca 0.00 1.10 0.02 0.00 -1.51 0.00 0.00 54.79 54.40 1x86 n ASP 1125Cb 0.00 -0.21 0.38 0.00 2.34 0.00 0.00 41.12 43.63 1x86 n ASP 1125CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1x86 h LEU 1126N 0.00 0.15 -0.21 -2.67 3.38 -1.18 -2.39 115.31 112.39 1x86 h LEU 1126Ca 0.18 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 1x86 h LEU 1126Cb 0.33 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1x86 h LEU 1126CO -0.61 0.38 -0.92 0.40 0.09 0.00 0.00 178.44 177.78 1x86 h ILE 1127N 0.15 1.54 0.05 1.22 2.04 0.27 -1.90 117.51 120.88 1x86 h ILE 1127Ca 0.03 -2.81 -0.00 0.00 1.00 0.00 0.00 64.86 63.07 1x86 h ILE 1127Cb 0.46 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 1x86 h ILE 1127CO 0.03 0.81 -0.03 0.00 0.00 0.00 0.00 178.15 178.97 1x86 h ARG 1129N -0.64 0.00 0.00 0.00 3.08 -1.37 1.73 114.38 117.18 1x86 h ARG 1129Ca -0.01 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1x86 h ARG 1129Cb 0.56 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1x86 h ARG 1129CO 0.01 0.00 -0.40 0.52 -1.07 0.00 0.00 179.97 179.03 1x86 h MET 1130N 0.00 0.01 0.00 0.04 2.86 -1.31 -3.21 114.93 113.32 1x86 h MET 1130Ca 0.01 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1x86 h MET 1130Cb 0.29 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 1x86 h MET 1130CO -0.00 1.01 -0.04 0.00 1.06 0.00 0.00 176.91 178.94 1x86 h ALA 1131N -0.14 1.33 -0.15 6.32 0.00 0.47 0.54 119.26 127.63 1x86 h ALA 1131Ca -0.11 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1x86 h ALA 1131Cb 1.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1x86 h ALA 1131CO -0.06 0.04 -0.34 0.00 0.00 0.00 0.00 179.25 178.90 1x86 h ALA 1132N 1.96 0.24 0.00 0.00 0.00 0.24 -2.58 119.26 119.12 1x86 h ALA 1132Ca -0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1x86 h ALA 1132Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1x86 h ALA 1132CO 0.00 0.29 -0.42 1.03 0.00 0.00 0.00 179.25 180.16 1x86 h SER 1133N 0.11 0.00 1.21 0.00 0.87 -1.38 -1.95 113.55 112.41 1x86 h SER 1133Ca -0.00 -0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.39 1x86 h SER 1133Cb 0.94 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 1x86 h SER 1133CO 0.07 0.03 -0.52 0.58 -0.53 0.00 0.00 176.83 176.47 1x86 h VAL 1134N 0.00 0.97 0.00 2.23 2.07 0.01 -3.26 116.25 118.28 1x86 h VAL 1134Ca 0.00 -2.12 -0.21 0.00 0.82 0.00 0.00 66.70 65.19 1x86 h VAL 1134Cb 0.87 2.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.90 1x86 h VAL 1134CO 0.00 0.51 -1.83 0.29 0.02 0.00 0.00 177.57 176.56 1x86 n LYS 1135N -3.35 0.65 0.06 1.57 5.02 -0.97 -4.16 118.16 116.98 1x86 n LYS 1135Ca 0.01 0.09 0.02 0.00 -2.02 0.00 0.00 58.31 56.41 1x86 n LYS 1135Cb 0.68 -1.67 0.38 0.00 -0.02 0.00 0.00 35.03 34.39 1x86 n LYS 1135CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 1x86 h GLU 1136N 0.00 0.39 0.00 1.97 -0.00 -1.45 -2.73 114.58 112.76 1x86 h GLU 1136Ca -0.26 -0.07 -0.05 0.00 -0.00 0.00 0.00 59.36 58.98 1x86 h GLU 1136Cb 1.73 -0.06 -0.01 0.00 -0.00 0.00 0.00 28.75 30.41 1x86 h GLU 1136CO 0.04 0.42 -0.25 1.96 -0.00 0.00 0.00 179.01 181.18 1x86 h GLN 1137N 0.38 0.00 0.00 1.06 4.20 -1.72 -3.51 115.11 115.52 1x86 h GLN 1137Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1x86 h GLN 1137Cb 0.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.04 1x86 h GLN 1137CO 0.01 0.25 0.00 0.45 -0.67 0.00 0.00 178.83 178.86