#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1i s LYS 802 N 0.00 2.35 -0.18 3.17 1.02 0.15 -0.66 119.74 125.59 1u1i s LYS 802 Ca 0.00 -0.79 -0.03 0.00 0.02 0.00 0.00 55.97 55.17 1u1i s LYS 802 Cb 0.00 -2.24 -0.01 0.00 -0.52 0.00 0.00 37.83 35.06 1u1i s LYS 802 CO 0.00 0.59 -0.07 0.08 -0.92 0.00 0.00 175.35 175.03 1u1i s VAL 803 N -0.67 3.35 -0.34 3.17 1.01 0.23 0.15 120.40 127.30 1u1i s VAL 803 Ca 0.10 -0.53 -0.10 0.00 0.00 0.00 0.00 61.98 61.46 1u1i s VAL 803 Cb -0.10 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1u1i s VAL 803 CO -0.00 0.47 0.16 0.86 0.00 0.00 0.00 175.10 176.59 1u1i s TRP 804 N 0.89 3.21 -0.16 5.22 -0.11 0.49 -3.01 118.94 125.48 1u1i s TRP 804 Ca -0.02 -0.87 -0.09 0.00 1.22 0.00 0.00 56.10 56.34 1u1i s TRP 804 Cb -0.15 -2.37 -0.05 0.00 -1.50 0.00 0.00 33.47 29.41 1u1i s TRP 804 CO 0.01 -0.58 0.16 -0.51 -4.62 0.00 0.00 176.95 171.41 1u1i s LEU 805 N 1.55 4.30 -0.11 5.86 1.43 0.08 -1.19 118.68 130.60 1u1i s LEU 805 Ca 0.03 0.38 -0.20 0.00 -1.03 0.00 0.00 54.13 53.31 1u1i s LEU 805 Cb -0.18 -2.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.87 1u1i s LEU 805 CO 0.06 0.27 0.55 -0.69 0.23 0.00 0.00 176.35 176.77 1u1i s VAL 806 N -0.24 5.14 -0.78 -1.59 1.01 -0.98 -1.40 120.40 121.55 1u1i s VAL 806 Ca 0.12 1.12 -0.01 0.00 0.00 0.00 0.00 61.98 63.20 1u1i s VAL 806 Cb -0.12 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1u1i s VAL 806 CO 0.02 0.29 0.66 0.61 0.00 0.00 0.00 175.10 176.68 1u1i n GLY 807 N 3.24 -0.24 0.00 4.51 0.00 -0.34 -2.00 105.19 110.36 1u1i n GLY 807 Ca -0.05 0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.09 1u1i n GLY 807 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1i n ALA 808 N -2.98 1.96 0.30 4.61 0.00 -0.40 -2.18 120.51 121.82 1u1i n ALA 808 Ca -0.15 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.28 1u1i n ALA 808 Cb 0.60 -1.22 0.09 0.00 0.00 0.00 0.00 19.45 18.93 1u1i n ALA 808 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1u1i n TYR 809 N -1.05 0.17 -1.11 0.00 4.01 -1.26 -4.44 117.16 113.48 1u1i n TYR 809 Ca 0.10 -0.16 -0.29 0.00 -0.16 0.00 0.00 57.90 57.39 1u1i n TYR 809 Cb 0.06 -0.01 0.17 0.00 -0.31 0.00 0.00 39.34 39.25 1u1i n TYR 809 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1u1i s GLY 810 N -1.04 1.58 0.53 2.72 0.00 -0.93 -4.83 107.32 105.36 1u1i s GLY 810 Ca 0.19 -0.25 0.21 0.00 0.00 0.00 0.00 44.72 44.87 1u1i s GLY 810 CO 0.17 0.34 2.16 1.19 0.00 0.00 0.00 173.10 176.96 1u1i h ILE 811 N -1.88 0.85 0.08 0.90 6.09 -1.92 -2.94 117.51 118.68 1u1i h ILE 811 Ca -0.54 -0.10 -0.31 0.00 -1.37 0.00 0.00 64.86 62.54 1u1i h ILE 811 Cb 1.32 1.06 -0.02 0.00 0.47 0.00 0.00 36.82 39.64 1u1i h ILE 811 CO 0.56 0.03 -1.68 0.58 -3.07 0.00 0.00 178.15 174.57 1u1i h VAL 812 N 0.00 0.95 0.01 2.19 2.07 -1.90 -2.74 116.25 116.83 1u1i h VAL 812 Ca -0.00 -2.68 0.01 0.00 0.82 0.00 0.00 66.70 64.85 1u1i h VAL 812 Cb 0.06 2.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1u1i h VAL 812 CO 0.00 0.74 -0.09 -1.28 0.02 0.00 0.00 177.57 176.96 1u1i h SER 813 N 0.04 -0.27 0.67 0.57 0.87 -1.84 -0.45 113.55 113.14 1u1i h SER 813 Ca -0.29 0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.18 1u1i h SER 813 Cb 2.01 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 64.06 1u1i h SER 813 CO 0.12 -0.14 -0.64 0.71 -0.53 0.00 0.00 176.83 176.35 1u1i h THR 814 N -0.17 1.43 -0.56 2.23 1.35 -1.65 -1.04 112.91 114.50 1u1i h THR 814 Ca 0.03 -2.19 -0.05 0.00 -0.55 0.00 0.00 66.41 63.65 1u1i h THR 814 Cb 0.21 2.19 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 1u1i h THR 814 CO -0.09 0.62 0.15 0.74 -0.25 0.00 0.00 175.52 176.70 1u1i h THR 815 N 0.00 1.24 0.06 6.82 2.02 -1.26 0.66 112.91 122.46 1u1i h THR 815 Ca -0.01 -0.85 0.01 0.00 0.77 0.00 0.00 66.41 66.33 1u1i h THR 815 Cb 1.14 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1u1i h THR 815 CO 0.08 0.32 -0.26 0.00 0.37 0.00 0.00 175.52 176.03 1u1i h ALA 816 N 1.03 -0.78 -0.41 6.16 0.00 -0.54 0.12 119.26 124.85 1u1i h ALA 816 Ca 0.18 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1u1i h ALA 816 Cb 0.32 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1u1i h ALA 816 CO -0.00 -0.84 -0.10 0.52 0.00 0.00 0.00 179.25 178.83 1u1i h MET 817 N -0.37 -0.00 -0.40 0.00 2.86 -1.11 0.65 114.93 116.55 1u1i h MET 817 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1u1i h MET 817 Cb 0.38 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1u1i h MET 817 CO -0.14 -0.00 0.20 0.28 1.06 0.00 0.00 176.91 178.31 1u1i h VAL 818 N -0.00 1.17 0.29 -2.22 2.07 -0.87 -2.94 116.25 113.75 1u1i h VAL 818 Ca 0.19 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1u1i h VAL 818 Cb 0.30 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1u1i h VAL 818 CO -0.42 0.18 -0.29 1.23 0.02 0.00 0.00 177.57 178.29 1u1i h GLY 819 N 0.51 -0.65 0.05 2.17 0.00 0.93 -1.63 103.07 104.45 1u1i h GLY 819 Ca 0.14 0.33 0.09 0.00 0.00 0.00 0.00 47.33 47.89 1u1i h GLY 819 CO -0.02 -0.26 -0.13 0.00 0.00 0.00 0.00 176.54 176.13 1u1i h ALA 820 N -0.02 0.27 0.00 3.60 0.00 0.28 -0.79 119.26 122.61 1u1i h ALA 820 Ca -0.01 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1u1i h ALA 820 Cb 0.56 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1u1i h ALA 820 CO -0.06 -0.46 -0.00 0.00 0.00 0.00 0.00 179.25 178.73 1u1i h ARG 821 N -0.02 0.00 -0.12 0.00 2.47 -1.52 -1.95 114.38 113.23 1u1i h ARG 821 Ca 0.22 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.80 1u1i h ARG 821 Cb 0.36 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 1u1i h ARG 821 CO -0.48 0.00 -0.53 0.00 0.56 0.00 0.00 179.97 179.51 1u1i h ALA 822 N 2.45 0.86 0.09 0.04 0.00 -0.14 -2.04 119.26 120.53 1u1i h ALA 822 Ca 0.00 -0.50 -0.17 0.00 0.00 0.00 0.00 54.91 54.24 1u1i h ALA 822 Cb 0.77 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1u1i h ALA 822 CO 0.00 0.68 -0.81 0.82 0.00 0.00 0.00 179.25 179.94 1u1i h ILE 823 N 0.27 1.42 -1.00 0.00 5.03 -1.26 0.35 117.51 122.33 1u1i h ILE 823 Ca 0.01 -2.44 0.21 0.00 -0.12 0.00 0.00 64.86 62.51 1u1i h ILE 823 Cb 1.03 3.06 -0.10 0.00 -3.03 0.00 0.00 36.82 37.78 1u1i h ILE 823 CO 0.09 0.66 0.62 -0.33 -0.68 0.00 0.00 178.15 178.51 1u1i h GLU 824 N -0.54 0.64 -0.61 2.37 5.08 -1.40 1.43 114.58 121.54 1u1i h GLU 824 Ca -0.17 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1u1i h GLU 824 Cb 1.51 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.61 1u1i h GLU 824 CO 0.07 0.42 0.00 0.54 -1.00 0.00 0.00 179.01 179.04 1u1i n ARG 825 N -4.72 1.55 -3.25 2.33 1.74 -0.77 -4.86 116.66 108.68 1u1i n ARG 825 Ca 0.23 -0.54 -0.21 0.00 -0.77 0.00 0.00 57.85 56.57 1u1i n ARG 825 Cb 0.64 -1.43 -0.01 0.00 -1.02 0.00 0.00 32.46 30.64 1u1i n ARG 825 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u1i n GLY 826 N 0.35 -0.48 0.13 -0.13 0.00 0.49 -4.82 105.19 100.72 1u1i n GLY 826 Ca 0.05 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1u1i n GLY 826 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1u1i n ILE 827 N -3.78 1.55 -4.05 -0.61 2.08 0.87 -4.97 119.36 110.45 1u1i n ILE 827 Ca -0.02 -0.37 -0.35 0.00 0.56 0.00 0.00 62.75 62.57 1u1i n ILE 827 Cb 0.54 -1.81 -0.07 0.00 -0.75 0.00 0.00 39.64 37.55 1u1i n ILE 827 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1u1i s ALA 828 N -2.48 3.69 0.98 -1.39 0.00 0.76 -4.96 121.76 118.35 1u1i s ALA 828 Ca -0.34 -0.75 -0.12 0.00 0.00 0.00 0.00 51.96 50.75 1u1i s ALA 828 Cb 0.11 -1.76 0.18 0.00 0.00 0.00 0.00 23.12 21.65 1u1i s ALA 828 CO 0.57 0.65 1.11 -2.14 0.00 0.00 0.00 175.76 175.95 1u1i s PRO 829 N -1.30 0.61 -0.38 0.00 0.02 -1.26 -4.27 135.00 128.43 1u1i s PRO 829 Ca 0.18 0.41 0.06 0.00 0.02 0.00 0.00 61.00 61.68 1u1i s PRO 829 Cb -0.12 -1.77 0.57 0.00 0.02 0.00 0.00 34.50 33.20 1u1i s PRO 829 CO 0.08 -2.58 1.68 1.63 -0.33 0.00 0.00 177.00 177.48 1u1i n LYS 830 N -4.06 2.10 -1.68 5.54 5.02 -1.26 -4.86 118.16 118.96 1u1i n LYS 830 Ca 0.06 -3.16 -0.43 0.00 -2.02 0.00 0.00 58.31 52.75 1u1i n LYS 830 Cb 0.58 -2.01 -0.01 0.00 -0.02 0.00 0.00 35.03 33.57 1u1i n LYS 830 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1u1i n ILE 831 N -1.11 1.60 0.00 -0.18 5.41 -1.26 -2.85 119.36 120.97 1u1i n ILE 831 Ca 0.46 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1u1i n ILE 831 Cb 1.28 -1.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.70 1u1i n ILE 831 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1u1i n GLY 832 N 1.32 3.04 3.60 7.39 0.00 -1.26 -4.99 105.19 114.29 1u1i n GLY 832 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1u1i n GLY 832 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1i s LEU 833 N 0.00 3.58 0.26 0.99 1.43 -1.13 -4.73 118.68 119.07 1u1i s LEU 833 Ca 0.00 1.04 0.06 0.00 -1.03 0.00 0.00 54.13 54.20 1u1i s LEU 833 Cb 0.00 -3.53 0.32 0.00 0.03 0.00 0.00 46.19 43.01 1u1i s LEU 833 CO 0.00 -1.51 1.61 0.58 0.23 0.00 0.00 176.35 177.25 1u1i h VAL 834 N 6.56 1.37 0.00 -1.59 2.07 -1.91 -2.60 116.25 120.16 1u1i h VAL 834 Ca -0.30 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.34 1u1i h VAL 834 Cb 1.13 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1u1i h VAL 834 CO 1.06 0.55 0.00 0.77 0.02 0.00 0.00 177.57 179.97 1u1i h SER 835 N 0.15 0.00 -0.62 0.57 4.64 -1.89 -2.29 113.55 114.12 1u1i h SER 835 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u1i h SER 835 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1u1i h SER 835 CO 0.08 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.42 1u1i n GLU 836 N -2.88 2.56 -2.15 4.77 -0.58 -0.98 -4.74 120.64 116.64 1u1i n GLU 836 Ca -0.01 -2.41 -0.36 0.00 -0.42 0.00 0.00 57.16 53.97 1u1i n GLU 836 Cb 0.16 -1.53 0.02 0.00 -0.57 0.00 0.00 31.44 29.52 1u1i n GLU 836 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1u1i s LEU 837 N -1.11 3.72 0.47 -4.62 1.43 -0.86 -4.90 118.68 112.81 1u1i s LEU 837 Ca 0.44 2.28 0.28 0.00 -1.03 0.00 0.00 54.13 56.11 1u1i s LEU 837 Cb 0.24 -4.58 1.55 0.00 0.03 0.00 0.00 46.19 43.43 1u1i s LEU 837 CO 0.31 -1.38 1.86 -0.65 0.23 0.00 0.00 176.35 176.72 1u1i h PRO 838 N 1.09 0.00 0.00 1.29 0.11 -1.93 -1.19 132.00 131.37 1u1i h PRO 838 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1u1i h PRO 838 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 1u1i h PRO 838 CO 0.56 0.00 -0.06 1.25 -0.21 0.00 0.00 178.00 179.54 1u1i h HIS 839 N 0.00 0.00 -0.45 0.65 -0.00 -1.95 -3.31 115.15 110.09 1u1i h HIS 839 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 1u1i h HIS 839 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 1u1i h HIS 839 CO 0.00 0.06 0.00 1.19 -0.00 0.00 0.00 177.93 179.18 1u1i n PHE 840 N -3.12 1.48 -1.70 5.26 3.72 -0.45 -4.98 117.46 117.67 1u1i n PHE 840 Ca 0.03 -0.76 -0.38 0.00 -0.05 0.00 0.00 57.45 56.29 1u1i n PHE 840 Cb 0.51 -0.38 0.06 0.00 -0.94 0.00 0.00 39.48 38.73 1u1i n PHE 840 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1u1i n GLU 841 N 0.23 1.24 0.00 -1.08 1.02 -1.25 -2.42 120.64 118.39 1u1i n GLU 841 Ca 0.24 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1u1i n GLU 841 Cb 1.00 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1u1i n GLU 841 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u1i n GLY 842 N 0.97 1.03 0.07 0.62 0.00 -1.26 -4.95 105.19 101.67 1u1i n GLY 842 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1u1i n GLY 842 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1u1i n ILE 843 N -2.00 1.34 0.21 -0.61 3.06 -1.01 -2.16 119.36 118.18 1u1i n ILE 843 Ca 0.00 0.47 0.07 0.00 -2.50 0.00 0.00 62.75 60.79 1u1i n ILE 843 Cb 0.00 -1.41 0.45 0.00 0.54 0.00 0.00 39.64 39.22 1u1i n ILE 843 CO 0.00 0.00 0.00 -0.08 -2.50 0.00 0.00 176.55 173.97 1u1i h GLU 844 N 0.00 0.00 -0.52 9.51 4.81 -1.87 0.43 114.58 126.94 1u1i h GLU 844 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1u1i h GLU 844 Cb 0.11 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1u1i h GLU 844 CO 0.00 0.30 0.32 0.87 -0.73 0.00 0.00 179.01 179.77 1u1i h LYS 845 N 0.00 0.69 0.00 1.92 1.57 -1.86 -1.51 116.57 117.39 1u1i h LYS 845 Ca -0.00 -0.05 -0.21 0.00 -1.87 0.00 0.00 60.65 58.52 1u1i h LYS 845 Cb 0.65 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1u1i h LYS 845 CO 0.04 0.48 -1.79 0.66 -0.57 0.00 0.00 179.45 178.27 1u1i n TYR 846 N -4.44 0.00 -3.15 -1.35 4.02 -1.07 -4.79 117.16 106.38 1u1i n TYR 846 Ca 0.05 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.72 1u1i n TYR 846 Cb 0.07 -0.57 -0.04 0.00 -0.02 0.00 0.00 39.34 38.78 1u1i n TYR 846 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1u1i n ALA 847 N -2.44 2.92 -0.94 -0.72 0.00 0.15 -4.60 120.51 114.87 1u1i n ALA 847 Ca -0.19 -3.84 -0.33 0.00 0.00 0.00 0.00 53.44 49.08 1u1i n ALA 847 Cb 0.87 -0.86 0.13 0.00 0.00 0.00 0.00 19.45 19.59 1u1i n ALA 847 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1u1i n PRO 848 N 0.43 -0.08 -2.82 0.00 -0.02 -0.57 -4.42 135.00 127.52 1u1i n PRO 848 Ca 0.26 0.04 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 1u1i n PRO 848 Cb 0.55 -2.19 -0.01 0.00 -0.02 0.00 0.00 33.50 31.83 1u1i n PRO 848 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1u1i s PHE 849 N -2.29 3.18 -0.10 6.00 5.36 -1.26 -4.74 117.98 124.14 1u1i s PHE 849 Ca 0.67 -1.80 -0.05 0.00 -0.96 0.00 0.00 56.93 54.79 1u1i s PHE 849 Cb -0.26 -4.46 0.05 0.00 -0.34 0.00 0.00 43.02 38.00 1u1i s PHE 849 CO 0.58 -1.56 0.22 0.45 -1.46 0.00 0.00 175.22 173.45 1u1i s SER 850 N 3.48 -0.20 0.06 6.13 0.15 -1.26 -4.84 113.70 117.21 1u1i s SER 850 Ca 0.45 0.47 0.05 0.00 0.70 0.00 0.00 55.95 57.62 1u1i s SER 850 Cb -0.01 0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 64.64 1u1i s SER 850 CO 0.00 -0.17 -0.14 -0.36 1.20 0.00 0.00 173.24 173.78 1u1i s PHE 851 N 1.29 1.18 -0.06 3.44 0.40 -1.26 -0.36 117.98 122.59 1u1i s PHE 851 Ca -0.09 -0.42 -0.02 0.00 -0.60 0.00 0.00 56.93 55.81 1u1i s PHE 851 Cb -0.11 -0.68 0.03 0.00 0.51 0.00 0.00 43.02 42.78 1u1i s PHE 851 CO -0.08 0.04 0.03 -1.21 0.70 0.00 0.00 175.22 174.70 1u1i s GLU 852 N -1.50 0.32 0.32 0.44 2.02 0.16 -4.86 118.70 115.60 1u1i s GLU 852 Ca -0.01 0.20 0.08 0.00 0.02 0.00 0.00 54.97 55.26 1u1i s GLU 852 Cb -0.09 -0.83 -0.04 0.00 0.10 0.00 0.00 34.13 33.27 1u1i s GLU 852 CO 0.02 -0.33 0.14 -0.06 0.02 0.00 0.00 175.26 175.05 1u1i s PHE 853 N 2.05 2.78 -1.03 1.61 0.40 -1.26 0.78 117.98 123.30 1u1i s PHE 853 Ca 0.05 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1u1i s PHE 853 Cb -0.12 -1.55 0.00 0.00 0.51 0.00 0.00 43.02 41.86 1u1i s PHE 853 CO -0.04 0.39 0.00 0.41 0.70 0.00 0.00 175.22 176.68 1u1i n GLY 854 N -1.14 -1.35 0.00 4.36 0.00 -1.16 -4.91 105.19 100.99 1u1i n GLY 854 Ca -0.04 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1u1i n GLY 854 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u1i n GLY 855 N -0.09 -0.10 3.96 -0.02 0.00 -1.26 -0.74 105.19 106.95 1u1i n GLY 855 Ca 0.00 -1.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.06 1u1i n GLY 855 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1u1i s HIS 856 N -1.62 3.12 -0.21 1.61 3.76 -0.49 -1.14 115.29 120.32 1u1i s HIS 856 Ca 0.00 0.15 -0.35 0.00 -0.15 0.00 0.00 55.06 54.71 1u1i s HIS 856 Cb 0.00 -2.41 0.14 0.00 1.11 0.00 0.00 32.58 31.42 1u1i s HIS 856 CO 0.00 -0.48 1.24 -2.00 -0.85 0.00 0.00 174.74 172.65 1u1i s GLU 857 N -4.59 0.25 0.00 1.40 2.56 -0.99 -1.20 118.70 116.13 1u1i s GLU 857 Ca 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 54.97 55.39 1u1i s GLU 857 Cb -0.10 0.12 0.00 0.00 2.00 0.00 0.00 34.13 36.15 1u1i s GLU 857 CO 0.38 -0.11 0.47 0.44 -0.56 0.00 0.00 175.26 175.88 1u1i n ILE 858 N -0.01 0.16 -3.33 -3.70 -5.35 -1.26 -2.15 119.36 103.72 1u1i n ILE 858 Ca 0.01 -0.44 -0.38 0.00 -0.27 0.00 0.00 62.75 61.67 1u1i n ILE 858 Cb 0.58 1.14 -0.07 0.00 -1.74 0.00 0.00 39.64 39.55 1u1i n ILE 858 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1u1i s ARG 859 N -0.16 4.20 -0.93 6.28 3.52 -1.26 -4.94 118.95 125.65 1u1i s ARG 859 Ca 0.00 0.30 -0.24 0.00 -0.13 0.00 0.00 55.73 55.66 1u1i s ARG 859 Cb 0.00 -3.54 -0.00 0.00 -1.56 0.00 0.00 34.95 29.85 1u1i s ARG 859 CO 0.00 -0.06 1.71 -0.51 -0.81 0.00 0.00 175.30 175.63 1u1i s LEU 860 N 1.36 3.31 0.33 -0.88 1.02 -1.26 -4.96 118.68 117.60 1u1i s LEU 860 Ca 0.21 -0.95 0.04 0.00 0.02 0.00 0.00 54.13 53.46 1u1i s LEU 860 Cb -0.15 -2.56 -0.06 0.00 0.02 0.00 0.00 46.19 43.43 1u1i s LEU 860 CO 0.09 -2.18 0.06 -0.76 0.02 0.00 0.00 176.35 173.57 1u1i s LEU 861 N 7.75 2.21 0.00 1.79 1.02 -1.26 -5.11 118.68 125.08 1u1i s LEU 861 Ca 0.59 -1.39 0.00 0.00 0.02 0.00 0.00 54.13 53.35 1u1i s LEU 861 Cb -0.04 -0.40 0.00 0.00 0.02 0.00 0.00 46.19 45.76 1u1i s LEU 861 CO -0.03 -0.61 0.52 -1.20 0.02 0.00 0.00 176.35 175.05 1u1i n SER 862 N -0.72 0.00 0.00 2.29 7.64 -1.26 -5.01 113.62 116.56 1u1i n SER 862 Ca -0.03 0.61 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1u1i n SER 862 Cb 0.67 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1u1i n SER 862 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1u1i n ASN 863 N -1.31 0.00 -0.02 6.43 0.23 -1.26 -4.80 115.26 114.54 1u1i n ASN 863 Ca 0.00 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.12 1u1i n ASN 863 Cb 0.00 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.54 1u1i n ASN 863 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1u1i n ALA 864 N -3.00 2.55 0.03 -2.53 0.00 0.18 -4.10 120.51 113.64 1u1i n ALA 864 Ca 0.00 -0.64 -0.20 0.00 0.00 0.00 0.00 53.44 52.60 1u1i n ALA 864 Cb 0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 19.45 18.67 1u1i n ALA 864 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1u1i h TYR 865 N 0.00 1.06 0.00 0.00 3.20 -1.80 -2.04 116.97 117.39 1u1i h TYR 865 Ca -0.10 -0.55 0.00 0.00 3.14 0.00 0.00 58.73 61.22 1u1i h TYR 865 Cb 1.22 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.37 1u1i h TYR 865 CO 0.00 1.39 0.00 0.93 -1.64 0.00 0.00 178.16 178.84 1u1i h GLU 866 N 0.42 0.00 0.00 1.82 4.39 -1.90 0.69 114.58 120.01 1u1i h GLU 866 Ca -0.12 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.42 1u1i h GLU 866 Cb 1.64 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.26 1u1i h GLU 866 CO 0.20 0.00 -1.35 0.00 -1.16 0.00 0.00 179.01 176.70 1u1i h ALA 867 N 2.10 0.65 0.10 3.43 0.00 -1.69 -3.20 119.26 120.65 1u1i h ALA 867 Ca 0.00 -0.82 -0.28 0.00 0.00 0.00 0.00 54.91 53.81 1u1i h ALA 867 Cb 0.33 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1u1i h ALA 867 CO 0.00 0.89 -1.38 0.00 0.00 0.00 0.00 179.25 178.77 1u1i h ALA 868 N 1.43 0.26 -0.04 0.00 0.00 -0.38 -3.28 119.26 117.25 1u1i h ALA 868 Ca -0.15 -1.04 -0.16 0.00 0.00 0.00 0.00 54.91 53.57 1u1i h ALA 868 Cb 1.57 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1u1i h ALA 868 CO 0.05 1.13 -0.67 -0.22 0.00 0.00 0.00 179.25 179.54 1u1i h LYS 869 N 0.06 0.19 0.50 0.00 3.64 0.18 -3.08 116.57 118.05 1u1i h LYS 869 Ca -0.18 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.04 1u1i h LYS 869 Cb 1.97 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.80 1u1i h LYS 869 CO 0.17 0.79 -0.40 1.49 -2.27 0.00 0.00 179.45 179.23 1u1i h GLU 870 N 0.13 -0.84 -0.03 1.90 4.81 -1.62 -2.13 114.58 116.79 1u1i h GLU 870 Ca -0.01 0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1u1i h GLU 870 Cb 1.21 0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.77 1u1i h GLU 870 CO 0.10 -0.56 0.04 0.45 -0.73 0.00 0.00 179.01 178.32 1u1i h HIS 871 N -0.87 0.00 -0.09 0.92 3.86 -1.66 -1.66 115.15 115.65 1u1i h HIS 871 Ca -0.07 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 58.94 1u1i h HIS 871 Cb 0.73 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.20 1u1i h HIS 871 CO -0.15 0.00 -0.78 2.35 0.86 0.00 0.00 177.93 180.21 1u1i h TRP 872 N 0.00 0.75 -0.85 2.45 7.01 -1.36 -1.38 115.95 122.56 1u1i h TRP 872 Ca 0.02 -0.34 0.02 0.00 2.11 0.00 0.00 58.89 60.69 1u1i h TRP 872 Cb 0.10 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.01 1u1i h TRP 872 CO 0.00 1.13 0.56 0.93 -2.79 0.00 0.00 178.44 178.27 1u1i h GLU 873 N 0.36 1.08 -0.02 2.65 4.39 -0.65 1.36 114.58 123.75 1u1i h GLU 873 Ca -0.05 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 1u1i h GLU 873 Cb 1.39 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 29.79 1u1i h GLU 873 CO 0.14 0.71 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.63 1u1i h LEU 874 N 1.11 0.04 0.00 1.33 3.38 -1.48 -3.39 115.31 116.30 1u1i h LEU 874 Ca 0.33 -0.41 -0.22 0.00 0.09 0.00 0.00 57.88 57.67 1u1i h LEU 874 Cb -0.06 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1u1i h LEU 874 CO -0.09 0.44 -1.83 0.59 0.09 0.00 0.00 178.44 177.64 1u1i n ASN 875 N -4.86 2.45 -3.60 -0.43 3.02 -0.53 -4.96 115.26 106.35 1u1i n ASN 875 Ca -0.08 -0.04 -0.22 0.00 -0.03 0.00 0.00 54.58 54.22 1u1i n ASN 875 Cb 0.22 0.30 0.07 0.00 -0.61 0.00 0.00 39.78 39.76 1u1i n ASN 875 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1u1i n ARG 876 N -2.67 -6.49 0.00 3.52 5.12 0.47 -4.84 116.66 111.76 1u1i n ARG 876 Ca -0.23 0.76 0.10 0.00 -1.93 0.00 0.00 57.85 56.56 1u1i n ARG 876 Cb 0.83 -5.68 0.59 0.00 -1.16 0.00 0.00 32.46 27.05 1u1i n ARG 876 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 1u1i n HIS 877 N -4.47 0.00 -3.65 -1.55 1.44 -1.26 -4.71 115.22 101.02 1u1i n HIS 877 Ca -0.17 0.00 -0.16 0.00 -2.01 0.00 0.00 57.72 55.39 1u1i n HIS 877 Cb 0.62 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.66 1u1i n HIS 877 CO 0.00 0.00 0.00 -0.59 -2.81 0.00 0.00 176.34 172.94 1u1i s PHE 878 N -2.00 -0.41 0.48 -1.40 -0.71 -1.26 -5.06 117.98 107.63 1u1i s PHE 878 Ca 0.30 0.67 -0.23 0.00 -1.04 0.00 0.00 56.93 56.64 1u1i s PHE 878 Cb 0.14 0.24 -0.08 0.00 -1.21 0.00 0.00 43.02 42.11 1u1i s PHE 878 CO 0.23 -0.49 1.07 -0.25 -1.34 0.00 0.00 175.22 174.43 1u1i n ASP 879 N 1.10 1.44 0.30 1.98 8.00 -1.26 -4.88 116.55 123.24 1u1i n ASP 879 Ca -0.20 0.98 0.18 0.00 0.71 0.00 0.00 54.79 56.45 1u1i n ASP 879 Cb 0.56 -1.41 0.97 0.00 -0.02 0.00 0.00 41.12 41.23 1u1i n ASP 879 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 1u1i h ARG 880 N 1.33 0.00 -0.52 -1.24 0.11 -2.01 -2.66 114.38 109.40 1u1i h ARG 880 Ca -0.47 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.51 1u1i h ARG 880 Cb 1.33 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.40 1u1i h ARG 880 CO 0.56 0.03 -0.09 0.93 0.10 0.00 0.00 179.97 181.50 1u1i h GLU 881 N 0.00 0.95 0.00 0.08 5.08 -2.01 -2.68 114.58 116.00 1u1i h GLU 881 Ca -0.00 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 57.97 1u1i h GLU 881 Cb 0.12 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1u1i h GLU 881 CO 0.00 0.99 -0.31 0.82 -1.00 0.00 0.00 179.01 179.51 1u1i h ILE 882 N 0.85 0.77 0.00 3.13 5.03 -1.84 -2.94 117.51 122.51 1u1i h ILE 882 Ca 0.14 -1.34 -0.04 0.00 -0.12 0.00 0.00 64.86 63.51 1u1i h ILE 882 Cb 0.62 1.84 -0.01 0.00 -3.03 0.00 0.00 36.82 36.25 1u1i h ILE 882 CO 0.04 0.31 -0.20 0.25 -0.68 0.00 0.00 178.15 177.86 1u1i h LEU 883 N 0.00 0.00 -0.57 1.44 5.85 -1.62 -2.47 115.31 117.93 1u1i h LEU 883 Ca -0.00 -0.77 0.11 0.00 0.84 0.00 0.00 57.88 58.05 1u1i h LEU 883 Cb 0.82 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.76 1u1i h LEU 883 CO 0.04 1.00 0.10 -0.33 -0.34 0.00 0.00 178.44 178.92 1u1i h GLU 884 N -1.00 0.23 -0.72 1.25 5.08 -1.57 0.65 114.58 118.50 1u1i h GLU 884 Ca -0.05 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1u1i h GLU 884 Cb 0.90 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.07 1u1i h GLU 884 CO -0.03 0.15 0.26 0.00 -1.00 0.00 0.00 179.01 178.39 1u1i h ALA 885 N 1.47 0.94 -0.42 3.43 0.00 -1.64 -0.43 119.26 122.59 1u1i h ALA 885 Ca 0.30 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1u1i h ALA 885 Cb 0.44 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1u1i h ALA 885 CO -0.40 0.59 0.00 0.28 0.00 0.00 0.00 179.25 179.72 1u1i n VAL 886 N -4.32 0.97 -0.01 0.00 0.31 -0.85 -4.30 118.33 110.13 1u1i n VAL 886 Ca 0.06 -0.69 -0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1u1i n VAL 886 Cb 0.20 0.09 0.29 0.00 -0.91 0.00 0.00 33.84 33.50 1u1i n VAL 886 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1u1i h LYS 887 N 2.61 0.54 0.33 5.55 3.64 0.21 -3.20 116.57 126.25 1u1i h LYS 887 Ca 0.00 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1u1i h LYS 887 Cb 0.88 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1u1i h LYS 887 CO 0.10 0.56 -0.16 0.77 -2.27 0.00 0.00 179.45 178.45 1u1i h SER 888 N 0.52 -0.38 -1.02 4.20 0.02 -1.75 -2.92 113.55 112.23 1u1i h SER 888 Ca 0.11 -0.17 0.31 0.00 -0.84 0.00 0.00 61.79 61.21 1u1i h SER 888 Cb 0.32 0.10 -0.14 0.00 0.14 0.00 0.00 62.40 62.81 1u1i h SER 888 CO 0.01 0.05 0.59 0.44 -1.14 0.00 0.00 176.83 176.78 1u1i h ASP 889 N -0.89 0.53 0.71 3.07 3.45 -1.84 0.18 116.42 121.62 1u1i h ASP 889 Ca -0.05 0.18 0.00 0.00 0.43 0.00 0.00 57.03 57.59 1u1i h ASP 889 Cb 0.53 0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 1u1i h ASP 889 CO 0.07 -0.09 -0.66 0.18 -1.57 0.00 0.00 179.24 177.17 1u1i n LEU 890 N -5.00 0.63 0.26 1.55 4.77 -1.22 -3.84 117.00 114.16 1u1i n LEU 890 Ca 0.31 0.14 0.13 0.00 -0.03 0.00 0.00 56.01 56.56 1u1i n LEU 890 Cb 0.96 -0.19 0.73 0.00 -2.33 0.00 0.00 43.42 42.59 1u1i n LEU 890 CO 0.12 0.00 0.98 -0.33 -1.33 0.00 0.00 177.39 176.82 1u1i h GLU 891 N 0.00 0.00 0.00 3.23 5.08 -0.75 -1.54 114.58 120.60 1u1i h GLU 891 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1u1i h GLU 891 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1u1i h GLU 891 CO 0.00 0.12 -0.67 0.78 -1.00 0.00 0.00 179.01 178.24 1u1i h GLY 892 N 0.86 0.00 -5.38 -3.84 0.00 -1.67 -3.44 103.07 89.60 1u1i h GLY 892 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1u1i h GLY 892 CO 0.02 0.00 1.00 -0.42 0.00 0.00 0.00 176.54 177.14 1u1i s ILE 893 N -2.97 3.95 -0.26 2.60 1.01 -0.59 -4.96 121.20 119.98 1u1i s ILE 893 Ca 0.03 1.13 -0.03 0.00 0.00 0.00 0.00 60.65 61.78 1u1i s ILE 893 Cb 0.08 -3.79 0.09 0.00 0.01 0.00 0.00 42.46 38.85 1u1i s ILE 893 CO 0.76 -0.16 0.09 -0.69 0.00 0.00 0.00 174.94 174.94 1u1i s VAL 894 N 4.00 0.42 1.00 2.92 1.01 -1.26 0.52 120.40 129.01 1u1i s VAL 894 Ca 0.64 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 1u1i s VAL 894 Cb -0.26 -1.21 0.19 0.00 0.00 0.00 0.00 36.38 35.10 1u1i s VAL 894 CO 0.22 -0.54 1.06 0.00 0.00 0.00 0.00 175.10 175.84 1u1i n ALA 895 N 5.06 -1.57 -2.48 5.51 0.00 -1.26 -4.75 120.51 121.01 1u1i n ALA 895 Ca -0.05 -0.76 -0.25 0.00 0.00 0.00 0.00 53.44 52.37 1u1i n ALA 895 Cb 0.44 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 17.67 1u1i n ALA 895 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1u1i s ARG 896 N -4.51 1.71 -0.06 0.00 0.52 -0.29 -4.95 118.95 111.36 1u1i s ARG 896 Ca 0.67 -1.60 -0.31 0.00 -0.52 0.00 0.00 55.73 53.97 1u1i s ARG 896 Cb -0.24 -1.87 -0.09 0.00 0.52 0.00 0.00 34.95 33.28 1u1i s ARG 896 CO 0.61 0.37 2.01 1.17 0.02 0.00 0.00 175.30 179.47 1u1i n LYS 897 N -0.25 2.44 0.00 3.54 4.81 -1.26 -2.36 118.16 125.08 1u1i n LYS 897 Ca -0.08 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 1u1i n LYS 897 Cb 0.58 -2.93 0.00 0.00 0.02 0.00 0.00 35.03 32.70 1u1i n LYS 897 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u1i n GLY 898 N 4.83 3.42 3.36 3.14 0.00 -0.91 -4.86 105.19 114.18 1u1i n GLY 898 Ca 0.24 -2.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 1u1i n GLY 898 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u1i s THR 899 N 1.93 2.04 -0.39 2.61 -1.32 -1.26 -2.76 115.64 116.50 1u1i s THR 899 Ca 0.00 -1.88 0.10 0.00 -1.21 0.00 0.00 61.69 58.70 1u1i s THR 899 Cb 0.00 -1.92 0.32 0.00 -1.51 0.00 0.00 72.50 69.39 1u1i s THR 899 CO 0.00 -0.16 0.72 0.00 -2.21 0.00 0.00 174.62 172.97 1u1i n ALA 900 N 0.47 1.78 -2.57 11.08 0.00 -1.26 -4.92 120.51 125.09 1u1i n ALA 900 Ca -0.14 -3.19 -0.42 0.00 0.00 0.00 0.00 53.44 49.69 1u1i n ALA 900 Cb 0.56 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 19.02 1u1i n ALA 900 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1u1i s LEU 901 N -2.07 4.19 -0.48 0.00 1.98 -1.26 -4.46 118.68 116.58 1u1i s LEU 901 Ca 0.37 0.16 -0.15 0.00 -2.89 0.00 0.00 54.13 51.62 1u1i s LEU 901 Cb 0.30 -2.97 0.02 0.00 0.66 0.00 0.00 46.19 44.20 1u1i s LEU 901 CO -0.09 -0.78 0.62 0.59 -1.89 0.00 0.00 176.35 174.80 1u1i n ASN 902 N 6.47 -7.79 -1.67 3.68 3.02 -1.26 -2.21 115.26 115.50 1u1i n ASN 902 Ca 0.02 0.40 0.03 0.00 -0.03 0.00 0.00 54.58 55.01 1u1i n ASN 902 Cb 0.48 -5.16 0.04 0.00 -0.61 0.00 0.00 39.78 34.53 1u1i n ASN 902 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1u1i n GLY 904 N 0.17 -2.09 1.27 0.00 0.00 -1.26 -4.52 105.19 98.76 1u1i n GLY 904 Ca 0.08 -1.38 -0.00 0.00 0.00 0.00 0.00 46.02 44.72 1u1i n GLY 904 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u1i n SER 905 N -1.34 3.31 -1.06 1.61 7.64 -1.26 -3.44 113.62 119.08 1u1i n SER 905 Ca 0.00 -2.52 0.05 0.00 1.01 0.00 0.00 58.87 57.41 1u1i n SER 905 Cb 0.00 -0.61 0.21 0.00 -1.01 0.00 0.00 64.21 62.80 1u1i n SER 905 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u1i n GLY 906 N 0.16 1.74 3.43 0.23 0.00 -1.26 -4.83 105.19 104.66 1u1i n GLY 906 Ca 0.17 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1u1i n GLY 906 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1i s ILE 907 N -1.76 4.07 0.00 -0.61 1.01 -1.22 -4.33 121.20 118.36 1u1i s ILE 907 Ca 0.29 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1u1i s ILE 907 Cb 0.19 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.79 1u1i s ILE 907 CO 0.13 0.38 0.00 1.17 0.00 0.00 0.00 174.94 176.62 1u1i n LYS 908 N 4.68 0.00 0.00 2.79 4.81 -1.26 -5.03 118.16 124.15 1u1i n LYS 908 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 1u1i n LYS 908 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 1u1i n LYS 908 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1u1i n GLU 909 N 0.00 0.00 -3.62 1.64 -0.58 -1.26 -5.09 120.64 111.73 1u1i n GLU 909 Ca 0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 1u1i n GLU 909 Cb 0.00 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.72 1u1i n GLU 909 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1u1i s LEU 910 N 0.00 1.28 0.54 -4.62 2.01 -1.26 -4.99 118.68 111.63 1u1i s LEU 910 Ca 0.00 -1.48 0.23 0.00 0.01 0.00 0.00 54.13 52.89 1u1i s LEU 910 Cb 0.00 -0.57 1.40 0.00 0.01 0.00 0.00 46.19 47.03 1u1i s LEU 910 CO 0.00 -0.42 2.07 1.23 1.01 0.00 0.00 176.35 180.24 1u1i h GLY 911 N 8.22 0.00 -6.94 -3.19 0.00 -2.00 -3.38 103.07 95.78 1u1i h GLY 911 Ca -0.16 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.55 1u1i h GLY 911 CO 0.45 0.00 -0.48 -0.35 0.00 0.00 0.00 176.54 176.16 1u1i s ASP 912 N -6.46 6.15 0.00 0.19 2.15 -1.26 -4.95 116.67 112.50 1u1i s ASP 912 Ca -0.05 0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.09 1u1i s ASP 912 Cb 0.18 -2.11 0.01 0.00 -0.30 0.00 0.00 42.92 40.69 1u1i s ASP 912 CO 0.68 0.06 0.63 0.00 -0.17 0.00 0.00 175.17 176.37 1u1i n ILE 913 N 4.21 0.00 -0.83 4.11 0.13 -1.26 -4.83 119.36 120.89 1u1i n ILE 913 Ca -0.14 -0.02 -0.41 0.00 -1.10 0.00 0.00 62.75 61.08 1u1i n ILE 913 Cb 0.52 0.13 -0.08 0.00 -0.84 0.00 0.00 39.64 39.38 1u1i n ILE 913 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1u1i n LYS 914 N 0.01 0.91 0.00 9.51 4.76 -1.26 -4.55 118.16 127.54 1u1i n LYS 914 Ca -0.02 -1.45 0.00 0.00 -2.87 0.00 0.00 58.31 53.98 1u1i n LYS 914 Cb 0.56 -2.69 0.00 0.00 -1.84 0.00 0.00 35.03 31.06 1u1i n LYS 914 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1u1i n THR 915 N 6.22 0.00 0.00 -0.18 -2.24 -1.26 -4.41 114.28 112.40 1u1i n THR 915 Ca 0.46 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.24 1u1i n THR 915 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1u1i n THR 915 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1u1i n LEU 916 N 0.00 0.00 0.25 3.22 -0.00 -1.11 -2.69 117.00 116.67 1u1i n LEU 916 Ca 0.00 0.34 0.17 0.00 -0.00 0.00 0.00 56.01 56.52 1u1i n LEU 916 Cb 0.00 0.00 0.81 0.00 -0.00 0.00 0.00 43.42 44.23 1u1i n LEU 916 CO 0.00 0.00 1.00 -0.08 -0.00 0.00 0.00 177.39 178.31 1u1i h GLU 917 N 0.00 0.00 -0.87 1.96 4.81 -1.90 -1.82 114.58 116.76 1u1i h GLU 917 Ca 0.00 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.42 1u1i h GLU 917 Cb 0.00 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.32 1u1i h GLU 917 CO 0.00 0.00 0.58 0.78 -0.73 0.00 0.00 179.01 179.64 1u1i h GLY 918 N 1.05 0.83 -2.80 1.92 0.00 -1.79 -1.40 103.07 100.88 1u1i h GLY 918 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1u1i h GLY 918 CO 0.00 0.01 0.00 1.18 0.00 0.00 0.00 176.54 177.73 1u1i n GLU 919 N -4.50 3.76 -3.35 4.80 1.02 -0.68 -4.71 120.64 116.97 1u1i n GLU 919 Ca 0.18 -2.23 -0.16 0.00 -0.02 0.00 0.00 57.16 54.92 1u1i n GLU 919 Cb 0.66 -2.04 0.08 0.00 -0.02 0.00 0.00 31.44 30.12 1u1i n GLU 919 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1u1i n GLY 920 N 0.46 -0.77 3.79 0.62 0.00 -0.53 -5.00 105.19 103.76 1u1i n GLY 920 Ca 0.20 0.35 -0.22 0.00 0.00 0.00 0.00 46.02 46.34 1u1i n GLY 920 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1i s LEU 921 N -5.89 3.63 0.16 0.99 1.02 -1.26 -5.07 118.68 112.26 1u1i s LEU 921 Ca 0.23 -0.40 0.03 0.00 0.02 0.00 0.00 54.13 54.02 1u1i s LEU 921 Cb -0.03 -2.16 -0.04 0.00 0.02 0.00 0.00 46.19 43.98 1u1i s LEU 921 CO 0.74 -0.09 0.24 -0.94 0.02 0.00 0.00 176.35 176.32 1u1i s SER 922 N -3.83 6.07 0.23 2.29 1.04 -1.26 -4.82 113.70 113.42 1u1i s SER 922 Ca 0.34 0.07 -0.13 0.00 0.48 0.00 0.00 55.95 56.71 1u1i s SER 922 Cb -0.07 -1.75 0.29 0.00 0.10 0.00 0.00 66.02 64.58 1u1i s SER 922 CO 0.24 0.05 1.60 0.25 0.98 0.00 0.00 173.24 176.36 1u1i h LEU 923 N 2.16 -0.74 0.34 2.42 5.85 -1.91 0.15 115.31 123.57 1u1i h LEU 923 Ca -0.48 0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1u1i h LEU 923 Cb 1.20 0.47 -0.03 0.00 0.37 0.00 0.00 40.66 42.67 1u1i h LEU 923 CO 0.66 -0.25 -0.44 0.00 -0.34 0.00 0.00 178.44 178.08 1u1i h ALA 924 N 1.67 -0.91 0.00 1.25 0.00 -1.97 -0.09 119.26 119.22 1u1i h ALA 924 Ca 0.35 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1u1i h ALA 924 Cb 0.54 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1u1i h ALA 924 CO -0.76 -1.06 -0.43 0.93 0.00 0.00 0.00 179.25 177.93 1u1i h GLU 925 N -0.82 0.00 -0.18 0.00 5.08 -1.89 -0.84 114.58 115.93 1u1i h GLU 925 Ca -0.02 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 1u1i h GLU 925 Cb 0.76 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1u1i h GLU 925 CO -0.12 0.43 -0.04 0.52 -1.00 0.00 0.00 179.01 178.80 1u1i h MET 926 N 0.00 0.35 -0.89 2.33 2.86 -0.50 -0.86 114.93 118.21 1u1i h MET 926 Ca -0.00 -0.13 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1u1i h MET 926 Cb 0.85 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.45 1u1i h MET 926 CO 0.06 0.60 0.54 0.28 1.06 0.00 0.00 176.91 179.45 1u1i h VAL 927 N 0.06 1.24 -0.40 -2.22 2.07 -0.81 -2.06 116.25 114.14 1u1i h VAL 927 Ca 0.05 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 1u1i h VAL 927 Cb 0.47 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1u1i h VAL 927 CO 0.02 0.26 -0.12 -1.28 0.02 0.00 0.00 177.57 176.46 1u1i h SER 928 N 1.23 0.70 0.84 0.57 0.87 -0.97 -0.98 113.55 115.81 1u1i h SER 928 Ca 0.32 -0.21 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1u1i h SER 928 Cb -0.06 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1u1i h SER 928 CO -0.06 0.84 -0.40 0.03 -0.53 0.00 0.00 176.83 176.71 1u1i h ARG 929 N 0.65 -1.09 -0.56 2.24 2.47 -0.73 -0.38 114.38 116.97 1u1i h ARG 929 Ca 0.11 0.07 0.10 0.00 -1.26 0.00 0.00 59.98 59.00 1u1i h ARG 929 Cb 0.58 0.25 -0.08 0.00 -1.65 0.00 0.00 29.97 29.07 1u1i h ARG 929 CO 0.04 -0.72 0.13 0.82 0.56 0.00 0.00 179.97 180.80 1u1i h ILE 930 N -1.23 0.70 -1.00 2.04 2.04 -1.31 0.67 117.51 119.42 1u1i h ILE 930 Ca -0.12 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 65.74 1u1i h ILE 930 Cb 0.87 0.40 -0.08 0.00 -0.74 0.00 0.00 36.82 37.28 1u1i h ILE 930 CO 0.19 0.05 0.64 -0.08 0.00 0.00 0.00 178.15 178.95 1u1i h GLU 931 N 0.28 1.04 0.00 2.37 4.81 -1.18 -1.32 114.58 120.58 1u1i h GLU 931 Ca 0.29 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1u1i h GLU 931 Cb 0.40 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 1u1i h GLU 931 CO -0.35 0.69 -0.22 0.93 -0.73 0.00 0.00 179.01 179.32 1u1i h GLU 932 N 1.07 0.00 0.14 1.92 5.08 0.84 -1.44 114.58 122.19 1u1i h GLU 932 Ca 0.46 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.57 1u1i h GLU 932 Cb 0.34 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 1u1i h GLU 932 CO -0.22 0.22 -1.25 -0.44 -1.00 0.00 0.00 179.01 176.32 1u1i h ASP 933 N 0.00 0.45 -0.29 1.42 3.45 -0.23 -3.16 116.42 118.06 1u1i h ASP 933 Ca -0.00 -0.89 -0.12 0.00 0.43 0.00 0.00 57.03 56.44 1u1i h ASP 933 Cb 0.94 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.56 1u1i h ASP 933 CO 0.03 1.57 -0.30 0.40 -1.57 0.00 0.00 179.24 179.36 1u1i h ILE 934 N -0.28 1.30 -0.66 0.35 2.04 -1.34 -3.27 117.51 115.66 1u1i h ILE 934 Ca -0.25 -1.47 0.12 0.00 1.00 0.00 0.00 64.86 64.25 1u1i h ILE 934 Cb 1.77 1.59 -0.12 0.00 -0.74 0.00 0.00 36.82 39.31 1u1i h ILE 934 CO 0.11 0.47 -0.31 0.50 0.00 0.00 0.00 178.15 178.92 1u1i h LYS 935 N 0.46 -0.11 0.00 2.37 3.64 -1.38 0.14 116.57 121.69 1u1i h LYS 935 Ca 0.04 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1u1i h LYS 935 Cb 0.88 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1u1i h LYS 935 CO 0.07 -0.07 0.00 0.43 -2.27 0.00 0.00 179.45 177.61 1u1i n SER 936 N -5.45 0.14 -0.11 4.20 7.64 -1.19 -3.38 113.62 115.47 1u1i n SER 936 Ca 0.06 0.53 -0.17 0.00 1.01 0.00 0.00 58.87 60.30 1u1i n SER 936 Cb 0.36 -0.56 -0.09 0.00 -1.01 0.00 0.00 64.21 62.91 1u1i n SER 936 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1u1i n PHE 937 N -1.65 0.00 -1.76 1.43 -0.00 -0.55 -5.03 117.46 109.90 1u1i n PHE 937 Ca 0.05 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.08 1u1i n PHE 937 Cb 0.25 -0.81 0.00 0.00 -0.00 0.00 0.00 39.48 38.92 1u1i n PHE 937 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1u1i n ALA 938 N -3.31 2.07 -3.00 3.13 0.00 0.40 -5.04 120.51 114.75 1u1i n ALA 938 Ca -0.39 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1u1i n ALA 938 Cb 0.88 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.95 1u1i n ALA 938 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1u1i n ASP 939 N 0.40 0.00 0.06 0.00 3.85 -1.26 -4.95 116.55 114.66 1u1i n ASP 939 Ca 0.03 0.00 0.11 0.00 -0.71 0.00 0.00 54.79 54.22 1u1i n ASP 939 Cb 0.39 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.14 1u1i n ASP 939 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 1u1i n ASP 940 N 0.00 0.64 -2.85 -1.12 8.00 -1.26 -4.25 116.55 115.70 1u1i n ASP 940 Ca 0.00 0.14 -0.28 0.00 0.71 0.00 0.00 54.79 55.36 1u1i n ASP 940 Cb 0.00 0.78 -0.02 0.00 -0.02 0.00 0.00 41.12 41.86 1u1i n ASP 940 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1u1i n GLU 941 N -2.41 3.44 -5.18 -1.24 1.02 -1.26 -5.05 120.64 109.96 1u1i n GLU 941 Ca -0.00 -4.71 -0.29 0.00 -0.02 0.00 0.00 57.16 52.14 1u1i n GLU 941 Cb 0.52 -2.26 -0.16 0.00 -0.02 0.00 0.00 31.44 29.52 1u1i n GLU 941 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1u1i s THR 942 N -4.80 1.87 0.02 2.62 2.01 -1.26 0.33 115.64 116.43 1u1i s THR 942 Ca 0.48 -1.01 0.04 0.00 0.31 0.00 0.00 61.69 61.51 1u1i s THR 942 Cb 0.31 -1.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 1u1i s THR 942 CO -0.16 0.53 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.49 1u1i s VAL 943 N -0.52 0.90 -0.34 3.82 1.01 0.12 -4.19 120.40 121.20 1u1i s VAL 943 Ca 0.08 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.19 1u1i s VAL 943 Cb -0.09 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1u1i s VAL 943 CO -0.01 0.04 0.16 -0.69 0.00 0.00 0.00 175.10 174.60 1u1i s VAL 944 N -0.67 4.37 -0.13 2.92 1.01 -0.84 0.19 120.40 127.24 1u1i s VAL 944 Ca 0.01 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1u1i s VAL 944 Cb -0.06 -3.36 0.01 0.00 0.00 0.00 0.00 36.38 32.97 1u1i s VAL 944 CO 0.00 -0.09 -0.21 -0.63 0.00 0.00 0.00 175.10 174.18 1u1i s ILE 945 N 1.54 1.95 -0.28 2.22 1.01 -0.33 -0.77 121.20 126.54 1u1i s ILE 945 Ca 0.02 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.47 1u1i s ILE 945 Cb -0.18 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.57 1u1i s ILE 945 CO 0.05 0.53 1.11 0.21 0.00 0.00 0.00 174.94 176.84 1u1i s ASN 946 N 0.85 6.95 -0.06 3.58 3.84 0.32 -2.32 114.94 128.09 1u1i s ASN 946 Ca -0.07 1.22 0.09 0.00 0.21 0.00 0.00 52.86 54.31 1u1i s ASN 946 Cb -0.15 -2.54 0.14 0.00 -0.55 0.00 0.00 41.25 38.14 1u1i s ASN 946 CO -0.02 -0.84 1.03 0.55 -2.79 0.00 0.00 177.10 175.03 1u1i n VAL 947 N 5.71 1.01 -0.45 -5.21 3.14 -0.97 -2.02 118.33 119.53 1u1i n VAL 947 Ca 0.13 -1.19 0.00 0.00 -2.96 0.00 0.00 64.34 60.32 1u1i n VAL 947 Cb 0.46 0.19 0.00 0.00 -1.06 0.00 0.00 33.84 33.44 1u1i n VAL 947 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1u1i n ALA 948 N -0.74 0.00 -2.79 1.55 0.00 -0.85 -4.82 120.51 112.87 1u1i n ALA 948 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.15 1u1i n ALA 948 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 1u1i n ALA 948 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1u1i s SER 949 N -1.44 6.48 -0.29 0.00 0.01 -1.26 -4.84 113.70 112.36 1u1i s SER 949 Ca 0.00 0.56 -0.27 0.00 1.31 0.00 0.00 55.95 57.55 1u1i s SER 949 Cb 0.00 -2.09 -0.12 0.00 0.21 0.00 0.00 66.02 64.02 1u1i s SER 949 CO 0.00 0.33 1.04 0.41 0.41 0.00 0.00 173.24 175.43 1u1i n THR 950 N 1.58 0.00 -3.03 1.44 -1.04 -1.26 -4.98 114.28 106.99 1u1i n THR 950 Ca -0.15 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.66 1u1i n THR 950 Cb 0.54 -0.29 0.01 0.00 -1.82 0.00 0.00 70.33 68.77 1u1i n THR 950 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1u1i s GLU 951 N 2.31 2.87 0.22 -2.82 -1.05 -1.26 -4.74 118.70 114.23 1u1i s GLU 951 Ca 0.64 -0.93 -0.04 0.00 -0.15 0.00 0.00 54.97 54.50 1u1i s GLU 951 Cb -0.88 -2.67 0.05 0.00 -0.44 0.00 0.00 34.13 30.19 1u1i s GLU 951 CO 0.45 -0.30 0.23 -0.35 0.95 0.00 0.00 175.26 176.24 1u1i n PRO 952 N -1.96 -1.05 -3.12 -4.83 -0.04 -1.26 -4.41 135.00 118.32 1u1i n PRO 952 Ca 0.05 -0.36 -0.45 0.00 -0.04 0.00 0.00 63.50 62.70 1u1i n PRO 952 Cb 0.59 -0.30 -0.04 0.00 -0.04 0.00 0.00 33.50 33.70 1u1i n PRO 952 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1u1i s LEU 953 N 0.00 5.44 0.84 1.53 1.02 -1.26 -4.90 118.68 121.36 1u1i s LEU 953 Ca 0.14 -1.47 -0.11 0.00 0.02 0.00 0.00 54.13 52.71 1u1i s LEU 953 Cb -0.01 -2.30 0.10 0.00 0.02 0.00 0.00 46.19 44.00 1u1i s LEU 953 CO 0.10 -1.10 1.13 -2.16 0.02 0.00 0.00 176.35 174.34 1u1i s PRO 954 N 2.61 1.62 -0.46 1.29 0.04 -1.26 -4.97 135.00 133.88 1u1i s PRO 954 Ca 0.11 1.39 -0.17 0.00 0.04 0.00 0.00 61.00 62.38 1u1i s PRO 954 Cb -0.24 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.54 1u1i s PRO 954 CO 0.06 -2.16 0.46 1.21 0.04 0.00 0.00 177.00 176.61 1u1i s ASN 955 N -2.95 6.18 0.22 6.66 3.84 -1.26 -5.04 114.94 122.59 1u1i s ASN 955 Ca 0.65 -0.94 -0.31 0.00 0.21 0.00 0.00 52.86 52.47 1u1i s ASN 955 Cb -0.21 -2.22 -0.10 0.00 -0.55 0.00 0.00 41.25 38.17 1u1i s ASN 955 CO 0.56 -0.66 1.52 -0.47 -2.79 0.00 0.00 177.10 175.26 1u1i s TYR 956 N 2.08 2.99 -0.11 0.43 6.14 -1.26 -4.89 117.35 122.72 1u1i s TYR 956 Ca 0.10 0.83 0.01 0.00 0.64 0.00 0.00 57.07 58.64 1u1i s TYR 956 Cb -0.20 -3.91 0.02 0.00 0.42 0.00 0.00 41.96 38.29 1u1i s TYR 956 CO 0.11 -3.13 -0.13 -1.54 0.64 0.00 0.00 175.55 171.50 1u1i s SER 957 N 0.69 2.35 0.02 4.32 1.04 -1.26 -5.02 113.70 115.83 1u1i s SER 957 Ca 0.64 -0.40 0.11 0.00 0.48 0.00 0.00 55.95 56.78 1u1i s SER 957 Cb -0.44 -1.02 0.46 0.00 0.10 0.00 0.00 66.02 65.12 1u1i s SER 957 CO 0.39 -0.03 1.34 1.21 0.98 0.00 0.00 173.24 177.13 1u1i n GLU 958 N 4.44 0.01 0.06 4.02 0.00 -1.26 0.67 120.64 128.58 1u1i n GLU 958 Ca -0.18 0.34 -0.12 0.00 0.00 0.00 0.00 57.16 57.20 1u1i n GLU 958 Cb 0.51 -1.53 -0.09 0.00 0.00 0.00 0.00 31.44 30.33 1u1i n GLU 958 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1u1i h GLU 959 N 0.00 -0.18 -0.01 5.31 3.07 -1.95 -2.09 114.58 118.72 1u1i h GLU 959 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1u1i h GLU 959 Cb 0.17 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1u1i h GLU 959 CO 0.00 0.24 -0.28 0.66 -1.40 0.00 0.00 179.01 178.23 1u1i n TYR 960 N -4.96 0.00 -0.22 4.33 0.53 -1.00 -4.31 117.16 111.53 1u1i n TYR 960 Ca -0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.79 1u1i n TYR 960 Cb 0.25 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.56 1u1i n TYR 960 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 1u1i n HIS 961 N 0.07 0.00 -2.14 -0.72 8.25 0.21 -2.11 115.22 118.78 1u1i n HIS 961 Ca 0.07 -0.01 -0.14 0.00 -0.26 0.00 0.00 57.72 57.39 1u1i n HIS 961 Cb 0.36 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.52 1u1i n HIS 961 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1u1i n GLY 962 N -0.01 5.11 0.00 -1.41 0.00 -0.79 -2.22 105.19 105.87 1u1i n GLY 962 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1u1i n GLY 962 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u1i n SER 963 N -0.69 0.00 -0.08 1.61 2.88 -1.26 -4.80 113.62 111.28 1u1i n SER 963 Ca 0.32 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 58.03 1u1i n SER 963 Cb 0.91 0.00 0.59 0.00 -0.75 0.00 0.00 64.21 64.96 1u1i n SER 963 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1u1i h LEU 964 N 0.00 0.20 -2.15 2.46 5.85 -1.89 1.46 115.31 121.24 1u1i h LEU 964 Ca 0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1u1i h LEU 964 Cb 0.00 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1u1i h LEU 964 CO 0.00 0.11 -0.00 -0.08 -0.34 0.00 0.00 178.44 178.13 1u1i h GLU 965 N 0.22 0.00 0.00 1.25 4.22 -1.95 -2.06 114.58 116.26 1u1i h GLU 965 Ca 0.30 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.74 1u1i h GLU 965 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1u1i h GLU 965 CO -0.06 0.00 -0.09 0.78 -2.18 0.00 0.00 179.01 177.46 1u1i h GLY 966 N 1.12 0.00 -0.51 1.92 0.00 0.18 -3.11 103.07 102.66 1u1i h GLY 966 Ca -0.00 0.00 0.34 0.00 0.00 0.00 0.00 47.33 47.67 1u1i h GLY 966 CO 0.00 0.00 0.82 -2.75 0.00 0.00 0.00 176.54 174.61 1u1i h PHE 967 N -0.40 0.34 0.00 5.60 3.04 -0.83 1.64 116.94 126.34 1u1i h PHE 967 Ca 0.00 0.01 -0.12 0.00 3.98 0.00 0.00 57.97 61.84 1u1i h PHE 967 Cb 0.09 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 1u1i h PHE 967 CO -0.04 -0.01 -0.59 0.93 -2.02 0.00 0.00 178.31 176.58 1u1i h GLU 968 N 0.17 0.00 0.10 1.11 5.08 -1.53 -2.65 114.58 116.85 1u1i h GLU 968 Ca 0.64 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.71 1u1i h GLU 968 Cb 2.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.36 1u1i h GLU 968 CO -0.19 0.59 -1.48 -0.09 -1.00 0.00 0.00 179.01 176.83 1u1i h ARG 969 N 0.00 0.21 -0.82 2.33 2.43 0.65 -3.00 114.38 116.17 1u1i h ARG 969 Ca -0.01 -0.35 0.15 0.00 -0.81 0.00 0.00 59.98 58.96 1u1i h ARG 969 Cb 1.26 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 30.88 1u1i h ARG 969 CO 0.08 1.06 0.54 1.98 -1.51 0.00 0.00 179.97 182.11 1u1i h MET 970 N 0.06 0.52 0.00 0.20 4.05 0.21 1.63 114.93 121.60 1u1i h MET 970 Ca -0.22 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.07 1u1i h MET 970 Cb 1.99 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 32.66 1u1i h MET 970 CO 0.15 0.35 -0.49 0.82 0.23 0.00 0.00 176.91 177.97 1u1i h ILE 971 N 0.54 1.07 0.00 1.77 2.04 -1.51 -1.63 117.51 119.79 1u1i h ILE 971 Ca 0.41 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 64.38 1u1i h ILE 971 Cb 0.80 2.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.99 1u1i h ILE 971 CO -0.16 0.48 -0.95 0.47 0.00 0.00 0.00 178.15 178.00 1u1i n ASP 972 N -3.54 0.67 -1.03 1.72 8.00 0.23 -3.57 116.55 119.02 1u1i n ASP 972 Ca -0.00 0.05 0.09 0.00 0.71 0.00 0.00 54.79 55.64 1u1i n ASP 972 Cb 0.59 0.57 0.25 0.00 -0.02 0.00 0.00 41.12 42.51 1u1i n ASP 972 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1u1i n GLU 973 N -2.22 2.30 -3.34 -1.24 -0.58 0.49 -4.92 120.64 111.14 1u1i n GLU 973 Ca 0.01 -2.02 -0.23 0.00 -0.42 0.00 0.00 57.16 54.51 1u1i n GLU 973 Cb 0.47 -1.44 -0.01 0.00 -0.57 0.00 0.00 31.44 29.90 1u1i n GLU 973 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1u1i n ASP 974 N 1.15 -3.60 -4.57 1.62 4.64 -1.16 -4.84 116.55 109.79 1u1i n ASP 974 Ca 0.19 -0.37 -0.41 0.00 -1.38 0.00 0.00 54.79 52.82 1u1i n ASP 974 Cb 0.48 -2.99 -0.02 0.00 -1.04 0.00 0.00 41.12 37.55 1u1i n ASP 974 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1u1i s ARG 975 N -5.98 3.67 0.35 -0.67 1.81 -0.62 -4.74 118.95 112.76 1u1i s ARG 975 Ca 0.39 -1.49 0.27 0.00 -1.72 0.00 0.00 55.73 53.17 1u1i s ARG 975 Cb -0.20 -5.42 0.98 0.00 -0.45 0.00 0.00 34.95 29.85 1u1i s ARG 975 CO 0.47 -2.39 1.79 0.87 -0.68 0.00 0.00 175.30 175.37 1u1i h LYS 976 N 8.83 0.00 0.00 3.54 1.57 -1.88 -2.84 116.57 125.79 1u1i h LYS 976 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1u1i h LYS 976 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1u1i h LYS 976 CO 1.42 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 180.69 1u1i n GLU 977 N -2.57 0.00 0.22 3.15 1.02 -1.26 -3.63 120.64 117.57 1u1i n GLU 977 Ca 0.03 0.45 0.09 0.00 -0.02 0.00 0.00 57.16 57.70 1u1i n GLU 977 Cb 0.33 -1.39 0.46 0.00 -0.02 0.00 0.00 31.44 30.82 1u1i n GLU 977 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 1u1i h TYR 978 N 0.00 0.00 -3.08 -0.32 -1.99 -1.91 -3.44 116.97 106.23 1u1i h TYR 978 Ca 0.00 0.00 -0.53 0.00 2.00 0.00 0.00 58.73 60.20 1u1i h TYR 978 Cb 0.00 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.75 1u1i h TYR 978 CO 0.07 0.26 0.68 0.00 -0.00 0.00 0.00 178.16 179.17 1u1i s ALA 979 N -3.75 3.55 0.27 3.88 0.00 -1.07 -4.93 121.76 119.70 1u1i s ALA 979 Ca -0.00 1.07 0.10 0.00 0.00 0.00 0.00 51.96 53.13 1u1i s ALA 979 Cb 0.11 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1u1i s ALA 979 CO 0.65 -0.57 -0.07 0.45 0.00 0.00 0.00 175.76 176.21 1u1i s SER 980 N 1.00 4.19 0.15 0.00 0.15 -1.26 -4.70 113.70 113.23 1u1i s SER 980 Ca 0.63 -0.79 -0.12 0.00 0.70 0.00 0.00 55.95 56.36 1u1i s SER 980 Cb -0.35 -0.64 0.02 0.00 -1.71 0.00 0.00 66.02 63.33 1u1i s SER 980 CO 0.31 0.01 1.60 0.00 1.20 0.00 0.00 173.24 176.35 1u1i h ALA 981 N 2.02 0.66 0.00 5.45 0.00 -1.70 -2.75 119.26 122.94 1u1i h ALA 981 Ca -0.43 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1u1i h ALA 981 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1u1i h ALA 981 CO 0.60 0.47 0.00 -1.13 0.00 0.00 0.00 179.25 179.20 1u1i n SER 982 N -4.32 0.00 -0.07 0.00 3.41 -1.26 -2.30 113.62 109.07 1u1i n SER 982 Ca 0.01 -0.56 -0.11 0.00 -0.26 0.00 0.00 58.87 57.95 1u1i n SER 982 Cb 0.32 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.12 1u1i n SER 982 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1u1i n MET 983 N -0.91 0.67 -0.02 4.33 2.00 -1.04 -3.63 117.12 118.53 1u1i n MET 983 Ca 0.09 0.11 -0.07 0.00 0.00 0.00 0.00 57.70 57.84 1u1i n MET 983 Cb 0.04 -1.61 0.11 0.00 0.00 0.00 0.00 33.22 31.76 1u1i n MET 983 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1u1i h LEU 984 N 0.00 0.62 0.35 4.03 3.38 -1.51 0.18 115.31 122.36 1u1i h LEU 984 Ca -0.47 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.22 1u1i h LEU 984 Cb 2.13 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1u1i h LEU 984 CO 0.04 0.94 -0.17 1.88 0.09 0.00 0.00 178.44 181.21 1u1i h TYR 985 N 0.49 -0.43 0.03 1.13 0.99 -1.71 1.00 116.97 118.47 1u1i h TYR 985 Ca 0.05 -0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.78 1u1i h TYR 985 Cb 0.87 0.14 -0.02 0.00 1.00 0.00 0.00 36.73 38.72 1u1i h TYR 985 CO 0.04 -0.10 -0.13 0.00 -0.00 0.00 0.00 178.16 177.97 1u1i h ALA 986 N -0.55 -0.17 -0.97 3.88 0.00 -1.61 -0.43 119.26 119.40 1u1i h ALA 986 Ca -0.05 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1u1i h ALA 986 Cb 0.53 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1u1i h ALA 986 CO 0.08 -0.63 0.63 -0.92 0.00 0.00 0.00 179.25 178.41 1u1i h TYR 987 N -0.23 1.16 0.57 0.00 3.20 -0.74 0.39 116.97 121.32 1u1i h TYR 987 Ca 0.04 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1u1i h TYR 987 Cb 0.27 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 1u1i h TYR 987 CO -0.17 0.62 -0.46 0.00 -1.64 0.00 0.00 178.16 176.51 1u1i h ALA 988 N 1.46 -1.09 -0.40 1.82 0.00 0.14 -1.49 119.26 119.70 1u1i h ALA 988 Ca 0.41 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1u1i h ALA 988 Cb 0.13 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1u1i h ALA 988 CO -0.15 -1.14 -0.23 0.00 0.00 0.00 0.00 179.25 177.73 1u1i h ALA 989 N -0.81 0.57 -0.10 0.00 0.00 -0.81 -2.58 119.26 115.53 1u1i h ALA 989 Ca -0.07 -0.39 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1u1i h ALA 989 Cb 0.86 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1u1i h ALA 989 CO -0.00 0.55 -0.31 -0.07 0.00 0.00 0.00 179.25 179.42 1u1i h LEU 990 N 0.68 0.19 -0.50 0.00 3.38 -0.23 -0.69 115.31 118.13 1u1i h LEU 990 Ca 0.09 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1u1i h LEU 990 Cb 0.80 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1u1i h LEU 990 CO 0.07 0.50 0.30 0.50 0.09 0.00 0.00 178.44 179.90 1u1i h LYS 991 N 0.17 0.68 -0.03 1.13 1.63 -1.17 -2.87 116.57 116.11 1u1i h LYS 991 Ca 0.02 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1u1i h LYS 991 Cb 0.64 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1u1i h LYS 991 CO 0.05 0.50 0.00 1.28 -3.45 0.00 0.00 179.45 177.82 1u1i n LEU 992 N -4.69 0.17 -0.39 5.20 4.77 -0.95 -4.86 117.00 116.24 1u1i n LEU 992 Ca 0.02 -0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 55.87 1u1i n LEU 992 Cb 0.06 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1u1i n LEU 992 CO 0.36 0.04 -0.05 0.61 -1.33 0.00 0.00 177.39 177.02 1u1i n GLY 993 N 0.67 0.75 3.86 -0.72 0.00 -1.08 -5.02 105.19 103.64 1u1i n GLY 993 Ca 0.07 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 1u1i n GLY 993 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1i s LEU 994 N -1.16 4.41 0.37 0.99 1.43 -0.31 -4.92 118.68 119.50 1u1i s LEU 994 Ca 0.00 0.83 -0.28 0.00 -1.03 0.00 0.00 54.13 53.65 1u1i s LEU 994 Cb 0.00 -2.69 -0.10 0.00 0.03 0.00 0.00 46.19 43.43 1u1i s LEU 994 CO 0.00 0.27 1.35 -2.84 0.23 0.00 0.00 176.35 175.36 1u1i s PRO 995 N -1.43 4.15 0.10 1.29 0.02 -1.26 -3.95 135.00 133.91 1u1i s PRO 995 Ca 0.27 2.29 0.10 0.00 0.02 0.00 0.00 61.00 63.67 1u1i s PRO 995 Cb -0.15 -2.93 -0.04 0.00 0.02 0.00 0.00 34.50 31.40 1u1i s PRO 995 CO 0.14 -0.39 -0.25 -0.47 -0.33 0.00 0.00 177.00 175.71 1u1i s TYR 996 N -1.18 2.37 -0.08 6.54 5.04 -1.26 -1.99 117.35 126.80 1u1i s TYR 996 Ca 0.53 -0.36 -0.03 0.00 -2.44 0.00 0.00 57.07 54.77 1u1i s TYR 996 Cb -0.41 -1.32 0.04 0.00 0.35 0.00 0.00 41.96 40.62 1u1i s TYR 996 CO 0.54 0.29 0.16 0.00 -1.34 0.00 0.00 175.55 175.20 1u1i s ALA 997 N -1.00 -0.27 -0.43 3.97 0.00 0.05 -1.47 121.76 122.61 1u1i s ALA 997 Ca 0.14 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 52.70 1u1i s ALA 997 Cb -0.10 -0.59 0.10 0.00 0.00 0.00 0.00 23.12 22.53 1u1i s ALA 997 CO 0.06 -0.29 0.28 1.21 0.00 0.00 0.00 175.76 177.01 1u1i s ASN 998 N 1.53 5.59 0.31 0.00 2.47 -0.85 0.12 114.94 124.10 1u1i s ASN 998 Ca -0.06 -1.70 0.22 0.00 0.42 0.00 0.00 52.86 51.74 1u1i s ASN 998 Cb -0.12 -1.97 0.15 0.00 -1.45 0.00 0.00 41.25 37.86 1u1i s ASN 998 CO -0.06 -0.59 1.31 0.15 -3.72 0.00 0.00 177.10 174.19 1u1i h PHE 999 N 8.37 0.00 -3.19 0.43 3.04 -1.73 -0.26 116.94 123.59 1u1i h PHE 999 Ca -0.21 0.00 -0.46 0.00 3.98 0.00 0.00 57.97 61.28 1u1i h PHE 999 Cb 1.07 0.00 0.04 0.00 2.56 0.00 0.00 35.95 39.63 1u1i h PHE 999 CO 0.61 0.06 0.05 0.95 -2.02 0.00 0.00 178.31 177.96 1u1i s THR 1000N -3.25 3.66 -1.80 4.41 -4.23 -1.25 0.19 115.64 113.37 1u1i s THR 1000Ca 0.03 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 1u1i s THR 1000Cb 0.07 -3.41 0.00 0.00 1.34 0.00 0.00 72.50 70.51 1u1i s THR 1000CO 0.74 -0.35 0.90 -2.65 -0.54 0.00 0.00 174.62 172.71 1u1i n PRO 1001N -2.37 1.00 -2.36 3.99 -0.02 -1.26 -2.15 135.00 131.83 1u1i n PRO 1001Ca 0.04 -0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.19 1u1i n PRO 1001Cb 0.58 -1.10 -0.03 0.00 -0.02 0.00 0.00 33.50 32.93 1u1i n PRO 1001CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1u1i s SER 1002N -0.80 6.54 0.04 2.55 1.04 -1.26 -4.71 113.70 117.11 1u1i s SER 1002Ca 0.00 1.59 -0.16 0.00 0.48 0.00 0.00 55.95 57.86 1u1i s SER 1002Cb 0.00 -2.51 -0.07 0.00 0.10 0.00 0.00 66.02 63.54 1u1i s SER 1002CO 0.00 -0.65 1.25 -0.65 0.98 0.00 0.00 173.24 174.18 1u1i h PRO 1003N 0.86 -0.39 0.00 4.02 0.11 -1.90 -3.46 132.00 131.24 1u1i h PRO 1003Ca -0.47 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1u1i h PRO 1003Cb 1.19 0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1u1i h PRO 1003CO 0.61 -0.26 0.00 0.41 -0.21 0.00 0.00 178.00 178.55 1u1i n GLY 1004N -1.24 1.93 0.61 -0.55 0.00 -1.26 -1.58 105.19 103.10 1u1i n GLY 1004Ca -0.05 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.09 1u1i n GLY 1004CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u1i n SER 1005N 10.54 1.81 -0.80 1.61 3.41 -1.26 -4.31 113.62 124.62 1u1i n SER 1005Ca 0.00 -1.79 -0.00 0.00 -0.26 0.00 0.00 58.87 56.82 1u1i n SER 1005Cb 0.00 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.81 1u1i n SER 1005CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1i n ALA 1006N 0.43 2.51 -2.37 7.33 0.00 -0.61 -4.35 120.51 123.46 1u1i n ALA 1006Ca 0.15 -0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 1u1i n ALA 1006Cb 0.34 -1.00 -0.14 0.00 0.00 0.00 0.00 19.45 18.64 1u1i n ALA 1006CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1u1i s ILE 1007N -0.44 2.23 0.26 0.00 -0.00 -1.26 -5.01 121.20 116.98 1u1i s ILE 1007Ca 0.00 -1.45 -0.05 0.00 -0.00 0.00 0.00 60.65 59.15 1u1i s ILE 1007Cb 0.00 -1.90 0.30 0.00 -0.00 0.00 0.00 42.46 40.86 1u1i s ILE 1007CO 0.00 0.30 1.63 -0.65 -0.00 0.00 0.00 174.94 176.22 1u1i h PRO 1008N 4.56 0.11 -0.41 0.37 0.11 -1.85 -1.54 132.00 133.35 1u1i h PRO 1008Ca -0.48 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.68 1u1i h PRO 1008Cb 1.15 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.16 1u1i h PRO 1008CO 0.43 0.07 -0.51 0.00 -0.21 0.00 0.00 178.00 177.78 1u1i h ALA 1009N 1.74 -0.73 -0.11 -0.75 0.00 -1.75 -0.42 119.26 117.24 1u1i h ALA 1009Ca 0.44 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 1u1i h ALA 1009Cb 0.81 1.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 1u1i h ALA 1009CO -0.69 -0.98 0.03 1.28 0.00 0.00 0.00 179.25 178.89 1u1i n LEU 1010N -5.13 2.33 -0.06 0.00 4.77 -0.62 -2.67 117.00 115.61 1u1i n LEU 1010Ca -0.03 -1.18 -0.10 0.00 -0.03 0.00 0.00 56.01 54.68 1u1i n LEU 1010Cb 0.31 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1u1i n LEU 1010CO -0.00 0.40 -0.92 0.29 -1.33 0.00 0.00 177.39 175.83 1u1i n LYS 1011N 0.15 0.31 0.26 3.23 5.02 -0.22 -4.42 118.16 122.48 1u1i n LYS 1011Ca 0.06 0.08 0.14 0.00 -2.02 0.00 0.00 58.31 56.57 1u1i n LYS 1011Cb 0.49 -1.21 0.83 0.00 -0.02 0.00 0.00 35.03 35.12 1u1i n LYS 1011CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1u1i h GLU 1012N -0.07 0.00 0.21 1.97 4.81 -1.17 -2.93 114.58 117.39 1u1i h GLU 1012Ca -0.29 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1u1i h GLU 1012Cb 1.41 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.80 1u1i h GLU 1012CO -0.07 0.00 -0.10 1.25 -0.73 0.00 0.00 179.01 179.36 1u1i h LEU 1013N 0.00 -0.24 -0.15 1.64 5.85 -1.77 -2.17 115.31 118.48 1u1i h LEU 1013Ca 0.03 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.81 1u1i h LEU 1013Cb 0.15 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1u1i h LEU 1013CO -0.00 0.19 -0.28 0.00 -0.34 0.00 0.00 178.44 178.01 1u1i h ALA 1014N -1.14 -0.28 -0.90 1.25 0.00 -1.77 0.01 119.26 116.44 1u1i h ALA 1014Ca -0.03 0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.02 1u1i h ALA 1014Cb 0.22 0.54 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1u1i h ALA 1014CO 0.05 -0.74 0.58 0.93 0.00 0.00 0.00 179.25 180.07 1u1i h GLU 1015N -0.34 0.86 0.00 0.00 4.39 -1.66 1.56 114.58 119.39 1u1i h GLU 1015Ca 0.10 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1u1i h GLU 1015Cb 0.50 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1u1i h GLU 1015CO -0.34 0.57 0.00 1.17 -1.16 0.00 0.00 179.01 179.25 1u1i n LYS 1016N -4.54 0.07 0.00 2.33 3.00 -0.69 -3.43 118.16 114.91 1u1i n LYS 1016Ca 0.16 0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.61 1u1i n LYS 1016Cb 0.32 -1.60 0.00 0.00 0.00 0.00 0.00 35.03 33.75 1u1i n LYS 1016CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1u1i n LYS 1017N -1.73 -0.17 -2.47 1.64 4.76 0.13 -5.01 118.16 115.31 1u1i n LYS 1017Ca 0.05 -0.61 -0.08 0.00 -2.87 0.00 0.00 58.31 54.81 1u1i n LYS 1017Cb 0.31 -0.92 0.04 0.00 -1.84 0.00 0.00 35.03 32.61 1u1i n LYS 1017CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u1i n GLY 1018N -0.08 -0.03 2.92 0.72 0.00 0.49 -4.95 105.19 104.26 1u1i n GLY 1018Ca 0.00 0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1u1i n GLY 1018CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1i s VAL 1019N -3.18 1.13 -0.52 1.61 1.01 0.84 -4.74 120.40 116.55 1u1i s VAL 1019Ca 0.14 -0.41 -0.28 0.00 0.00 0.00 0.00 61.98 61.43 1u1i s VAL 1019Cb -0.02 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.23 1u1i s VAL 1019CO 0.35 0.34 1.26 -2.16 0.00 0.00 0.00 175.10 174.90 1u1i s PRO 1020N 1.66 3.54 0.35 2.72 0.04 -1.20 -0.59 135.00 141.51 1u1i s PRO 1020Ca 0.04 0.50 0.09 0.00 0.04 0.00 0.00 61.00 61.66 1u1i s PRO 1020Cb -0.13 -4.01 -0.05 0.00 0.04 0.00 0.00 34.50 30.35 1u1i s PRO 1020CO -0.09 -1.64 0.07 -3.38 0.04 0.00 0.00 177.00 172.01 1u1i s HIS 1021N 5.14 2.60 0.12 0.56 -3.43 0.38 -4.05 115.29 116.61 1u1i s HIS 1021Ca 0.49 -0.44 -0.25 0.00 -0.80 0.00 0.00 55.06 54.07 1u1i s HIS 1021Cb -0.09 -1.59 0.07 0.00 -1.43 0.00 0.00 32.58 29.54 1u1i s HIS 1021CO 0.28 0.40 0.70 0.00 -2.00 0.00 0.00 174.74 174.13 1u1i s ALA 1022N -2.50 -1.64 0.00 -1.38 0.00 -0.54 -0.66 121.76 115.04 1u1i s ALA 1022Ca 0.36 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1u1i s ALA 1022Cb -0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.86 1u1i s ALA 1022CO 0.21 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.60 1u1i n GLY 1023N -0.35 0.71 0.00 0.00 0.00 -1.26 -2.02 105.19 102.27 1u1i n GLY 1023Ca -0.13 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1u1i n GLY 1023CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u1i n ASN 1024N 0.00 0.00 -0.29 1.61 4.13 -0.13 -3.41 115.26 117.18 1u1i n ASN 1024Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1u1i n ASN 1024Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1u1i n ASN 1024CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1u1i n ASP 1025N 0.00 -0.68 -4.67 6.41 -0.08 -0.92 -1.62 116.55 114.98 1u1i n ASP 1025Ca 0.00 0.00 -0.48 0.00 -1.51 0.00 0.00 54.79 52.80 1u1i n ASP 1025Cb 0.00 -0.34 -0.05 0.00 2.34 0.00 0.00 41.12 43.07 1u1i n ASP 1025CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1u1i n GLY 1026N 1.97 1.24 3.38 0.27 0.00 0.50 0.43 105.19 112.98 1u1i n GLY 1026Ca 0.00 0.78 -0.46 0.00 0.00 0.00 0.00 46.02 46.34 1u1i n GLY 1026CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u1i s LYS 1027N 2.63 3.76 -0.05 1.61 2.20 0.19 -4.67 119.74 125.39 1u1i s LYS 1027Ca 0.87 -2.42 0.10 0.00 -0.36 0.00 0.00 55.97 54.16 1u1i s LYS 1027Cb -0.72 -4.64 -0.15 0.00 -1.51 0.00 0.00 37.83 30.81 1u1i s LYS 1027CO 0.47 -1.46 0.14 0.25 -0.36 0.00 0.00 175.35 174.39 1u1i n THR 1028N 4.22 0.33 0.00 3.43 -2.24 -1.26 -4.58 114.28 114.17 1u1i n THR 1028Ca 0.21 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1u1i n THR 1028Cb 0.46 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1u1i n THR 1028CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1i n GLY 1029N 2.13 -0.53 0.18 3.38 0.00 -1.26 -4.81 105.19 104.27 1u1i n GLY 1029Ca -0.09 0.15 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 1u1i n GLY 1029CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1u1i h GLU 1030N 0.00 -0.32 -0.51 1.61 4.81 -1.98 -2.14 114.58 116.05 1u1i h GLU 1030Ca 0.00 0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.40 1u1i h GLU 1030Cb 0.00 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 1u1i h GLU 1030CO 0.00 -0.22 0.41 1.15 -0.73 0.00 0.00 179.01 179.62 1u1i h THR 1031N -0.34 0.61 0.26 0.32 2.02 -1.94 0.17 112.91 114.00 1u1i h THR 1031Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1u1i h THR 1031Cb 0.30 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1u1i h THR 1031CO -0.05 0.00 -0.30 0.25 0.37 0.00 0.00 175.52 175.79 1u1i h LEU 1032N 0.00 -0.82 -1.01 2.58 5.85 -1.65 -0.08 115.31 120.19 1u1i h LEU 1032Ca 0.24 0.08 0.09 0.00 0.84 0.00 0.00 57.88 59.13 1u1i h LEU 1032Cb 1.06 0.29 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 1u1i h LEU 1032CO -0.00 -0.42 0.64 0.58 -0.34 0.00 0.00 178.44 178.90 1u1i h VAL 1033N -0.60 1.03 0.02 1.05 2.07 -0.55 -0.72 116.25 118.54 1u1i h VAL 1033Ca -0.00 -0.38 -0.21 0.00 0.82 0.00 0.00 66.70 66.93 1u1i h VAL 1033Cb 0.57 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1u1i h VAL 1033CO -0.09 0.20 -0.98 0.50 0.02 0.00 0.00 177.57 177.23 1u1i h LYS 1034N 1.11 0.06 0.00 1.57 3.64 -0.92 -0.97 116.57 121.07 1u1i h LYS 1034Ca 0.46 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 1u1i h LYS 1034Cb 0.28 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1u1i h LYS 1034CO -0.21 0.99 0.00 0.25 -2.27 0.00 0.00 179.45 178.21 1u1i n THR 1035N -3.46 0.05 -0.03 1.00 -2.24 -0.07 -2.28 114.28 107.25 1u1i n THR 1035Ca -0.02 0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.82 1u1i n THR 1035Cb 0.90 -0.53 -0.16 0.00 -2.10 0.00 0.00 70.33 68.44 1u1i n THR 1035CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1u1i n THR 1036N -1.36 0.37 -0.06 4.28 -1.04 -0.36 -1.79 114.28 114.32 1u1i n THR 1036Ca 0.11 -0.57 -0.05 0.00 -2.04 0.00 0.00 64.05 61.50 1u1i n THR 1036Cb 0.27 -0.12 -0.11 0.00 -1.82 0.00 0.00 70.33 68.55 1u1i n THR 1036CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1u1i n LEU 1037N -2.36 0.00 -0.03 -4.42 7.94 -0.38 -4.63 117.00 113.12 1u1i n LEU 1037Ca -0.12 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.70 1u1i n LEU 1037Cb 0.71 0.30 -0.03 0.00 0.53 0.00 0.00 43.42 44.92 1u1i n LEU 1037CO 0.43 0.30 0.82 0.00 -1.11 0.00 0.00 177.39 177.83 1u1i h ALA 1038N 0.76 0.09 0.00 1.96 0.00 -1.69 -2.21 119.26 118.17 1u1i h ALA 1038Ca -0.33 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1u1i h ALA 1038Cb 1.71 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 1u1i h ALA 1038CO 0.02 -0.50 -0.00 -1.35 0.00 0.00 0.00 179.25 177.42 1u1i h PRO 1039N -0.03 0.00 -0.99 0.00 0.11 -1.82 -1.55 132.00 127.72 1u1i h PRO 1039Ca 0.09 0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.40 1u1i h PRO 1039Cb 0.16 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.17 1u1i h PRO 1039CO -0.19 0.00 0.62 1.98 -0.21 0.00 0.00 178.00 180.20 1u1i h MET 1040N 0.00 0.64 0.03 1.05 1.85 -1.65 0.18 114.93 117.03 1u1i h MET 1040Ca -0.00 -0.04 -0.22 0.00 -0.61 0.00 0.00 59.70 58.84 1u1i h MET 1040Cb 0.00 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 31.88 1u1i h MET 1040CO 0.00 0.42 -0.97 0.74 -0.40 0.00 0.00 176.91 176.70 1u1i h PHE 1041N 0.66 0.31 0.00 1.39 0.04 -1.40 -3.09 116.94 114.85 1u1i h PHE 1041Ca 0.56 -0.19 -0.04 0.00 2.80 0.00 0.00 57.97 61.10 1u1i h PHE 1041Cb 1.01 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 39.13 1u1i h PHE 1041CO -0.00 1.05 -0.18 0.00 -0.60 0.00 0.00 178.31 178.58 1u1i h ALA 1042N 0.88 1.12 0.01 2.45 0.00 -0.77 -0.86 119.26 122.10 1u1i h ALA 1042Ca -0.06 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 1u1i h ALA 1042Cb 1.64 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1u1i h ALA 1042CO 0.15 0.22 -0.92 1.88 0.00 0.00 0.00 179.25 180.58 1u1i h TYR 1043N 0.00 0.06 -0.66 0.00 0.05 -0.79 -3.11 116.97 112.53 1u1i h TYR 1043Ca -0.00 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1u1i h TYR 1043Cb 0.57 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 1u1i h TYR 1043CO 0.00 0.93 0.00 0.54 -1.05 0.00 0.00 178.16 178.58 1u1i n ARG 1044N -3.49 3.73 -4.29 4.88 5.12 -1.05 -4.94 116.66 116.62 1u1i n ARG 1044Ca -0.01 -2.86 -0.37 0.00 -1.93 0.00 0.00 57.85 52.68 1u1i n ARG 1044Cb 0.86 -1.90 -0.04 0.00 -1.16 0.00 0.00 32.46 30.22 1u1i n ARG 1044CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1u1i n ASN 1045N 1.16 -2.70 -4.95 0.55 5.15 -0.58 -4.94 115.26 108.95 1u1i n ASN 1045Ca 0.26 -1.07 -0.24 0.00 -0.60 0.00 0.00 54.58 52.92 1u1i n ASN 1045Cb 0.89 -2.48 -0.02 0.00 -0.53 0.00 0.00 39.78 37.64 1u1i n ASN 1045CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1u1i s MET 1046N -7.00 3.48 -0.16 1.20 -1.94 -0.43 -4.88 119.30 109.57 1u1i s MET 1046Ca 0.70 -0.46 -0.04 0.00 -1.71 0.00 0.00 55.69 54.19 1u1i s MET 1046Cb -0.39 -2.79 -0.03 0.00 2.01 0.00 0.00 34.83 33.64 1u1i s MET 1046CO 0.95 0.31 -0.04 -2.00 -0.01 0.00 0.00 175.02 174.23 1u1i s GLU 1047N -3.91 3.65 0.11 2.03 2.12 -0.50 -4.47 118.70 117.73 1u1i s GLU 1047Ca 0.38 -0.53 -0.26 0.00 0.36 0.00 0.00 54.97 54.92 1u1i s GLU 1047Cb -0.10 -2.91 -0.07 0.00 0.26 0.00 0.00 34.13 31.31 1u1i s GLU 1047CO 0.32 0.22 0.79 0.08 -0.54 0.00 0.00 175.26 176.12 1u1i s VAL 1048N 0.43 4.53 -0.07 3.70 1.01 -1.26 -0.35 120.40 128.38 1u1i s VAL 1048Ca -0.04 1.70 -0.04 0.00 0.00 0.00 0.00 61.98 63.61 1u1i s VAL 1048Cb -0.14 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.08 1u1i s VAL 1048CO 0.03 0.44 -0.07 0.58 0.00 0.00 0.00 175.10 176.08 1u1i h VAL 1049N 3.71 0.00 -3.81 2.92 2.07 0.55 -3.42 116.25 118.26 1u1i h VAL 1049Ca -0.45 -0.53 -0.24 0.00 0.82 0.00 0.00 66.70 66.29 1u1i h VAL 1049Cb 1.21 0.00 -0.27 0.00 -1.52 0.00 0.00 31.29 30.71 1u1i h VAL 1049CO 0.68 0.00 -0.72 -0.83 0.02 0.00 0.00 177.57 176.72 1u1i s GLY 1050N -3.26 0.11 -0.16 2.17 0.00 -1.07 -1.01 107.32 104.10 1u1i s GLY 1050Ca -0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 44.72 44.48 1u1i s GLY 1050CO 0.08 -0.17 -0.12 0.86 0.00 0.00 0.00 173.10 173.75 1u1i s TRP 1051N -0.30 2.84 -0.14 1.90 -0.11 -0.07 -0.31 118.94 122.74 1u1i s TRP 1051Ca -0.02 -0.87 -0.02 0.00 1.22 0.00 0.00 56.10 56.41 1u1i s TRP 1051Cb -0.02 -1.92 -0.02 0.00 -1.50 0.00 0.00 33.47 30.01 1u1i s TRP 1051CO -0.00 -0.39 -0.08 1.41 -4.62 0.00 0.00 176.95 173.27 1u1i s MET 1052N 0.78 3.50 -0.14 5.86 -2.45 0.43 -1.20 119.30 126.07 1u1i s MET 1052Ca -0.05 -0.60 0.00 0.00 -1.25 0.00 0.00 55.69 53.80 1u1i s MET 1052Cb -0.15 -2.77 -0.01 0.00 1.25 0.00 0.00 34.83 33.15 1u1i s MET 1052CO 0.01 0.25 -0.15 -1.12 1.05 0.00 0.00 175.02 175.05 1u1i s SER 1053N 0.30 3.71 -0.05 1.11 0.01 0.43 -1.89 113.70 117.31 1u1i s SER 1053Ca -0.07 -0.44 -0.02 0.00 1.31 0.00 0.00 55.95 56.73 1u1i s SER 1053Cb -0.15 -1.56 0.03 0.00 0.21 0.00 0.00 66.02 64.55 1u1i s SER 1053CO 0.04 0.11 0.09 -0.47 0.41 0.00 0.00 173.24 173.42 1u1i s TYR 1054N 0.65 -0.01 -0.02 2.43 6.14 -0.45 -1.16 117.35 124.93 1u1i s TYR 1054Ca -0.08 0.36 0.06 0.00 0.64 0.00 0.00 57.07 58.05 1u1i s TYR 1054Cb -0.16 -0.41 -0.01 0.00 0.42 0.00 0.00 41.96 41.80 1u1i s TYR 1054CO 0.02 -0.21 -0.20 -0.80 0.64 0.00 0.00 175.55 175.00 1u1i s ASN 1055N 2.18 2.38 -0.06 4.32 0.01 0.18 0.69 114.94 124.64 1u1i s ASN 1055Ca 0.04 -0.37 -0.00 0.00 -0.71 0.00 0.00 52.86 51.82 1u1i s ASN 1055Cb -0.12 -0.30 0.03 0.00 0.41 0.00 0.00 41.25 41.27 1u1i s ASN 1055CO -0.04 0.24 -0.02 0.27 -1.51 0.00 0.00 177.10 176.05 1u1i s ILE 1056N -0.44 0.44 0.16 0.60 -4.36 -1.01 0.27 121.20 116.86 1u1i s ILE 1056Ca 0.07 0.01 -0.12 0.00 -0.26 0.00 0.00 60.65 60.35 1u1i s ILE 1056Cb -0.08 -0.53 0.01 0.00 1.25 0.00 0.00 42.46 43.10 1u1i s ILE 1056CO -0.01 0.24 0.36 -1.48 0.24 0.00 0.00 174.94 174.29 1u1i s LEU 1057N 1.45 0.69 0.00 0.37 0.05 -0.94 -2.79 118.68 117.51 1u1i s LEU 1057Ca -0.03 -0.67 0.00 0.00 0.05 0.00 0.00 54.13 53.49 1u1i s LEU 1057Cb -0.13 1.53 0.00 0.00 -2.05 0.00 0.00 46.19 45.53 1u1i s LEU 1057CO -0.03 -0.92 0.10 0.61 -0.55 0.00 0.00 176.35 175.57 1u1i n GLY 1058N -0.23 0.18 0.00 -3.48 0.00 -0.86 -1.17 105.19 99.62 1u1i n GLY 1058Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1u1i n GLY 1058CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1u1i n ASP 1059N 0.00 0.00 -0.48 1.61 5.75 -1.04 -4.28 116.55 118.11 1u1i n ASP 1059Ca 0.00 -0.03 0.40 0.00 -0.01 0.00 0.00 54.79 55.16 1u1i n ASP 1059Cb 0.30 0.00 0.72 0.00 -1.03 0.00 0.00 41.12 41.11 1u1i n ASP 1059CO 0.00 0.00 0.00 1.88 -0.11 0.00 0.00 177.20 178.97 1u1i h TYR 1060N -0.02 0.23 0.00 2.11 0.99 -1.96 1.46 116.97 119.78 1u1i h TYR 1060Ca 0.00 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.74 1u1i h TYR 1060Cb 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 36.73 37.67 1u1i h TYR 1060CO 0.00 -0.06 -0.00 0.22 -0.00 0.00 0.00 178.16 178.32 1u1i h ASP 1061N 0.07 -0.00 -0.45 3.88 -0.00 -1.96 -2.14 116.42 115.81 1u1i h ASP 1061Ca 0.76 -0.90 0.06 0.00 -0.00 0.00 0.00 57.03 56.95 1u1i h ASP 1061Cb 2.74 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 42.05 1u1i h ASP 1061CO -0.16 0.95 0.30 1.23 -0.00 0.00 0.00 179.24 181.56 1u1i h GLY 1062N -1.00 0.47 1.03 -0.78 0.00 -1.49 0.28 103.07 101.58 1u1i h GLY 1062Ca -0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1u1i h GLY 1062CO 0.00 0.12 0.47 0.50 0.00 0.00 0.00 176.54 177.63 1u1i h LYS 1063N 0.38 1.23 0.02 4.80 1.79 0.20 -2.68 116.57 122.31 1u1i h LYS 1063Ca 0.20 -0.15 -0.29 0.00 -2.18 0.00 0.00 60.65 58.22 1u1i h LYS 1063Cb 0.29 -0.24 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 1u1i h LYS 1063CO -0.05 0.91 -1.63 0.28 -1.08 0.00 0.00 179.45 177.88 1u1i h VAL 1064N 1.23 0.96 0.00 0.50 2.07 -0.62 -3.30 116.25 117.09 1u1i h VAL 1064Ca 0.31 -2.77 0.00 0.00 0.82 0.00 0.00 66.70 65.06 1u1i h VAL 1064Cb 0.05 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 1u1i h VAL 1064CO -0.05 0.62 0.00 0.18 0.02 0.00 0.00 177.57 178.34 1u1i n LEU 1065N -3.17 0.00 0.12 2.57 4.77 -0.00 -3.61 117.00 117.68 1u1i n LEU 1065Ca -0.16 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.69 1u1i n LEU 1065Cb 1.04 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.07 1u1i n LEU 1065CO 0.46 0.00 0.72 -1.28 -1.33 0.00 0.00 177.39 175.96 1u1i h SER 1066N 0.00 -0.59 -3.92 -1.43 0.87 -1.56 -3.41 113.55 103.51 1u1i h SER 1066Ca 0.00 0.07 -0.46 0.00 -1.23 0.00 0.00 61.79 60.16 1u1i h SER 1066Cb 0.00 0.22 0.16 0.00 -0.44 0.00 0.00 62.40 62.34 1u1i h SER 1066CO 0.00 -0.30 0.21 0.00 -0.53 0.00 0.00 176.83 176.21 1u1i s ALA 1067N -6.09 1.10 -1.92 6.23 0.00 -1.24 -4.95 121.76 114.89 1u1i s ALA 1067Ca -0.15 -0.27 0.20 0.00 0.00 0.00 0.00 51.96 51.74 1u1i s ALA 1067Cb 0.07 -3.14 0.59 0.00 0.00 0.00 0.00 23.12 20.64 1u1i s ALA 1067CO 0.65 -2.72 1.49 -2.13 0.00 0.00 0.00 175.76 173.06 1u1i n ARG 1068N -4.11 2.63 0.00 0.00 0.63 -1.26 -3.82 116.66 110.72 1u1i n ARG 1068Ca 0.06 -2.41 0.00 0.00 -0.92 0.00 0.00 57.85 54.58 1u1i n ARG 1068Cb 0.57 -1.55 0.00 0.00 0.45 0.00 0.00 32.46 31.93 1u1i n ARG 1068CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1u1i n ASP 1069N 1.40 0.00 -0.25 6.15 8.00 -1.26 -3.45 116.55 127.14 1u1i n ASP 1069Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.73 1u1i n ASP 1069Cb 0.59 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.81 1u1i n ASP 1069CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1u1i h ASN 1070N 0.00 0.55 -0.96 -2.24 -1.07 -1.81 -0.59 115.58 109.45 1u1i h ASN 1070Ca 0.00 0.04 0.11 0.00 0.07 0.00 0.00 56.30 56.53 1u1i h ASN 1070Cb 0.00 -0.06 -0.08 0.00 -2.07 0.00 0.00 38.32 36.11 1u1i h ASN 1070CO 0.00 0.33 0.59 0.50 0.07 0.00 0.00 177.43 178.92 1u1i h LYS 1071N 0.68 0.92 -1.20 4.14 3.64 -1.76 -1.33 116.57 121.66 1u1i h LYS 1071Ca 0.34 -0.06 0.36 0.00 -1.27 0.00 0.00 60.65 60.02 1u1i h LYS 1071Cb 0.28 -0.21 -0.11 0.00 -0.41 0.00 0.00 32.23 31.79 1u1i h LYS 1071CO -0.22 0.61 0.78 1.49 -2.27 0.00 0.00 179.45 179.83 1u1i h GLU 1072N 0.94 0.21 0.00 1.90 4.81 -1.12 -1.93 114.58 119.39 1u1i h GLU 1072Ca 0.47 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.69 1u1i h GLU 1072Cb 0.46 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1u1i h GLU 1072CO -0.26 0.14 0.00 0.43 -0.73 0.00 0.00 179.01 178.58 1u1i n SER 1073N -4.62 0.00 -0.53 1.04 7.64 -0.50 -3.38 113.62 113.27 1u1i n SER 1073Ca 0.31 0.00 0.43 0.00 1.01 0.00 0.00 58.87 60.63 1u1i n SER 1073Cb 1.18 0.00 0.73 0.00 -1.01 0.00 0.00 64.21 65.11 1u1i n SER 1073CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1u1i h LYS 1074N 0.00 0.04 -0.49 1.43 3.64 -1.67 0.12 116.57 119.63 1u1i h LYS 1074Ca 0.00 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 1u1i h LYS 1074Cb 0.00 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.76 1u1i h LYS 1074CO 0.00 0.03 0.21 0.28 -2.27 0.00 0.00 179.45 177.69 1u1i h VAL 1075N 0.04 0.88 0.03 2.00 2.07 -1.44 -3.06 116.25 116.77 1u1i h VAL 1075Ca 0.84 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 68.24 1u1i h VAL 1075Cb 3.02 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 33.19 1u1i h VAL 1075CO -0.23 0.07 -0.45 -0.07 0.02 0.00 0.00 177.57 176.92 1u1i h LEU 1076N 0.41 -1.37 -0.88 2.57 3.38 -0.76 -2.51 115.31 116.15 1u1i h LEU 1076Ca 0.23 0.15 0.23 0.00 0.09 0.00 0.00 57.88 58.58 1u1i h LEU 1076Cb 0.20 0.51 -0.13 0.00 0.09 0.00 0.00 40.66 41.33 1u1i h LEU 1076CO -0.20 -0.45 0.30 0.77 0.09 0.00 0.00 178.44 178.95 1u1i h SER 1077N -0.58 0.15 -0.00 -0.43 4.64 -1.64 0.77 113.55 116.44 1u1i h SER 1077Ca 0.00 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1u1i h SER 1077Cb 0.61 0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 1u1i h SER 1077CO -0.28 -0.09 0.00 0.29 -0.87 0.00 0.00 176.83 175.88 1u1i n LYS 1078N -5.15 1.00 -0.05 4.77 5.02 -0.97 -3.16 118.16 119.63 1u1i n LYS 1078Ca 0.22 -0.01 -0.10 0.00 -2.02 0.00 0.00 58.31 56.40 1u1i n LYS 1078Cb 0.67 -1.17 -0.03 0.00 -0.02 0.00 0.00 35.03 34.47 1u1i n LYS 1078CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1u1i n ASP 1079N -0.67 0.73 0.24 4.39 4.64 0.25 -4.71 116.55 121.42 1u1i n ASP 1079Ca 0.08 0.11 0.12 0.00 -1.38 0.00 0.00 54.79 53.73 1u1i n ASP 1079Cb 0.04 -0.28 0.57 0.00 -1.04 0.00 0.00 41.12 40.41 1u1i n ASP 1079CO 0.00 0.00 0.00 0.11 -0.82 0.00 0.00 177.20 176.49 1u1i h LYS 1080N -0.33 0.00 -1.33 -0.67 1.57 -1.17 -3.25 116.57 111.39 1u1i h LYS 1080Ca -0.24 0.00 0.44 0.00 -1.87 0.00 0.00 60.65 58.98 1u1i h LYS 1080Cb 1.21 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.39 1u1i h LYS 1080CO -0.14 0.15 0.86 0.28 -0.57 0.00 0.00 179.45 180.03 1u1i h VAL 1081N 0.00 0.10 -0.03 0.50 2.07 -1.78 -2.68 116.25 114.42 1u1i h VAL 1081Ca -0.00 -0.02 -0.26 0.00 0.82 0.00 0.00 66.70 67.24 1u1i h VAL 1081Cb 0.61 0.02 0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1u1i h VAL 1081CO 0.02 0.01 -0.98 0.25 0.02 0.00 0.00 177.57 176.89 1u1i h LEU 1082N 0.07 0.89 -0.68 2.57 5.85 -1.90 -3.26 115.31 118.85 1u1i h LEU 1082Ca 0.83 -0.69 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1u1i h LEU 1082Cb 2.63 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 43.33 1u1i h LEU 1082CO -0.43 1.49 0.37 -0.33 -0.34 0.00 0.00 178.44 179.20 1u1i h GLU 1083N 0.42 0.64 -0.79 1.25 5.08 -1.68 -2.72 114.58 116.78 1u1i h GLU 1083Ca -0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1u1i h GLU 1083Cb 1.63 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.73 1u1i h GLU 1083CO 0.19 0.43 0.00 1.63 -1.00 0.00 0.00 179.01 180.26 1u1i n LYS 1084N -4.81 1.89 0.00 2.33 5.02 -1.23 -0.97 118.16 120.39 1u1i n LYS 1084Ca 0.09 -0.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.62 1u1i n LYS 1084Cb 0.20 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1u1i n LYS 1084CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1u1i n MET 1085N 0.14 3.56 0.00 1.97 2.81 -1.03 -4.62 117.12 119.95 1u1i n MET 1085Ca 0.07 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 1u1i n MET 1085Cb 0.44 -0.59 0.00 0.00 -0.71 0.00 0.00 33.22 32.36 1u1i n MET 1085CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1u1i n LEU 1086N -0.90 1.15 0.00 4.03 4.77 -1.09 -4.65 117.00 120.31 1u1i n LEU 1086Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1u1i n LEU 1086Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1u1i n LEU 1086CO 0.00 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1u1i n GLY 1087N 2.74 1.01 3.03 -0.72 0.00 -0.15 -5.07 105.19 106.04 1u1i n GLY 1087Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1u1i n GLY 1087CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1u1i s TYR 1088N -2.00 0.13 -0.50 1.61 1.13 -1.24 -5.05 117.35 111.42 1u1i s TYR 1088Ca 0.00 -0.27 -0.13 0.00 -1.41 0.00 0.00 57.07 55.26 1u1i s TYR 1088Cb 0.00 -0.10 0.12 0.00 -1.10 0.00 0.00 41.96 40.87 1u1i s TYR 1088CO 0.00 -0.22 0.41 -1.12 -2.51 0.00 0.00 175.55 172.11 1u1i s SER 1089N -1.26 5.95 0.58 -0.18 0.01 -1.26 -4.41 113.70 113.13 1u1i s SER 1089Ca -0.14 -1.78 -0.18 0.00 1.31 0.00 0.00 55.95 55.17 1u1i s SER 1089Cb -0.08 -2.11 -0.04 0.00 0.21 0.00 0.00 66.02 64.00 1u1i s SER 1089CO 0.00 -0.75 1.12 -2.16 0.41 0.00 0.00 173.24 171.86 1u1i s PRO 1090N 1.49 3.19 0.02 12.44 0.04 -1.26 -4.93 135.00 145.99 1u1i s PRO 1090Ca 0.04 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.29 1u1i s PRO 1090Cb -0.27 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 1u1i s PRO 1090CO 0.02 -0.96 1.95 0.98 0.04 0.00 0.00 177.00 179.02 1u1i n TYR 1091N -1.68 2.49 -5.19 0.56 4.19 -0.18 -4.78 117.16 112.56 1u1i n TYR 1091Ca 0.11 -0.29 -0.32 0.00 3.31 0.00 0.00 57.90 60.72 1u1i n TYR 1091Cb 0.51 -2.77 -0.16 0.00 0.49 0.00 0.00 39.34 37.41 1u1i n TYR 1091CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 1u1i s SER 1092N 4.26 3.27 -0.10 2.98 0.15 -1.26 -0.90 113.70 122.10 1u1i s SER 1092Ca 0.89 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1u1i s SER 1092Cb -0.49 -0.70 0.02 0.00 -1.71 0.00 0.00 66.02 63.14 1u1i s SER 1092CO 0.44 0.28 -0.09 -0.63 1.20 0.00 0.00 173.24 174.44 1u1i s ILE 1093N -0.39 1.08 -0.14 6.45 1.01 -0.34 -4.96 121.20 123.90 1u1i s ILE 1093Ca 0.03 -0.36 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 1u1i s ILE 1093Cb -0.12 -1.06 0.05 0.00 0.01 0.00 0.00 42.46 41.34 1u1i s ILE 1093CO 0.02 0.37 0.04 -0.89 0.00 0.00 0.00 174.94 174.47 1u1i s THR 1094N 1.41 0.30 0.03 2.92 2.01 -1.25 0.16 115.64 121.23 1u1i s THR 1094Ca -0.00 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.82 1u1i s THR 1094Cb -0.13 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.64 1u1i s THR 1094CO -0.05 -0.05 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.14 1u1i s GLU 1095N 1.98 0.50 -0.22 4.92 2.02 -0.31 -5.00 118.70 122.59 1u1i s GLU 1095Ca 0.02 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.39 1u1i s GLU 1095Cb -0.15 -0.32 0.06 0.00 0.10 0.00 0.00 34.13 33.82 1u1i s GLU 1095CO -0.07 0.06 -0.05 0.42 0.02 0.00 0.00 175.26 175.64 1u1i s ILE 1096N -1.08 1.43 0.17 -1.63 1.01 -1.25 -0.65 121.20 119.20 1u1i s ILE 1096Ca -0.07 -1.08 0.06 0.00 0.00 0.00 0.00 60.65 59.56 1u1i s ILE 1096Cb -0.08 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1u1i s ILE 1096CO 0.00 -0.04 0.06 -1.10 0.00 0.00 0.00 174.94 173.87 1u1i s GLN 1097N 1.45 2.64 0.41 2.79 -1.52 0.14 -4.87 119.66 120.70 1u1i s GLN 1097Ca -0.04 -0.99 -0.25 0.00 -1.95 0.00 0.00 55.36 52.14 1u1i s GLN 1097Cb -0.18 -2.50 -0.08 0.00 -0.22 0.00 0.00 33.01 30.03 1u1i s GLN 1097CO -0.07 0.47 1.13 -0.47 -0.25 0.00 0.00 175.29 176.11 1u1i s TYR 1098N -1.73 3.09 -0.47 0.91 6.04 -1.26 -2.23 117.35 121.71 1u1i s TYR 1098Ca 0.29 1.58 0.05 0.00 0.04 0.00 0.00 57.07 59.03 1u1i s TYR 1098Cb -0.10 -3.32 0.19 0.00 -1.04 0.00 0.00 41.96 37.70 1u1i s TYR 1098CO 0.21 -1.15 0.77 0.12 -1.54 0.00 0.00 175.55 173.96 1u1i s PHE 1099N -1.50 -1.43 0.54 4.97 2.19 -0.31 -4.76 117.98 117.68 1u1i s PHE 1099Ca 0.58 -0.33 0.26 0.00 0.33 0.00 0.00 56.93 57.77 1u1i s PHE 1099Cb -0.28 0.28 1.43 0.00 -1.31 0.00 0.00 43.02 43.14 1u1i s PHE 1099CO 0.35 -1.09 1.99 -1.00 1.83 0.00 0.00 175.22 177.30 1u1i h PRO 1100N 5.29 0.00 0.00 10.12 0.13 -1.82 -2.54 132.00 143.18 1u1i h PRO 1100Ca 0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.04 1u1i h PRO 1100Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1u1i h PRO 1100CO 0.01 0.00 -0.64 0.66 -0.23 0.00 0.00 178.00 177.80 1u1i h SER 1101N 0.00 0.00 1.06 1.44 4.64 -1.95 -2.93 113.55 115.81 1u1i h SER 1101Ca 0.24 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.50 1u1i h SER 1101Cb 1.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1u1i h SER 1101CO -0.00 0.64 -0.29 -0.07 -0.87 0.00 0.00 176.83 176.24 1u1i h LEU 1102N 0.00 0.00 0.00 5.97 3.38 -1.78 -3.48 115.31 119.40 1u1i h LEU 1102Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1u1i h LEU 1102Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1u1i h LEU 1102CO 0.08 0.29 0.00 0.52 0.09 0.00 0.00 178.44 179.42 1u1i n VAL 1103N -3.37 0.00 1.00 1.22 0.31 -1.11 -1.20 118.33 115.19 1u1i n VAL 1103Ca 0.01 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.46 1u1i n VAL 1103Cb 0.50 0.00 0.30 0.00 -0.91 0.00 0.00 33.84 33.74 1u1i n VAL 1103CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1u1i n ASP 1104N 9.31 0.43 -4.28 4.52 -0.08 -1.26 -2.04 116.55 123.16 1u1i n ASP 1104Ca 0.00 -0.15 -0.26 0.00 -1.51 0.00 0.00 54.79 52.87 1u1i n ASP 1104Cb 0.00 0.14 -0.10 0.00 2.34 0.00 0.00 41.12 43.50 1u1i n ASP 1104CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1u1i n ASN 1105N -1.50 1.74 -4.69 1.67 4.05 -0.34 -3.56 115.26 112.63 1u1i n ASN 1105Ca 0.06 -2.55 -0.42 0.00 0.45 0.00 0.00 54.58 52.11 1u1i n ASN 1105Cb 0.34 -1.43 -0.03 0.00 1.23 0.00 0.00 39.78 39.89 1u1i n ASN 1105CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1u1i s LYS 1106N 7.49 4.14 0.02 1.20 2.20 -0.89 -4.84 119.74 129.06 1u1i s LYS 1106Ca 0.74 2.57 0.05 0.00 -0.36 0.00 0.00 55.97 58.98 1u1i s LYS 1106Cb 0.02 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 1u1i s LYS 1106CO 0.21 -0.84 -0.13 0.99 -0.36 0.00 0.00 175.35 175.22 1u1i s THR 1107N 2.84 3.19 0.01 3.43 2.01 -1.12 -2.87 115.64 123.14 1u1i s THR 1107Ca 0.81 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.82 1u1i s THR 1107Cb -0.45 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 69.68 1u1i s THR 1107CO 0.36 0.37 -0.02 0.00 -0.69 0.00 0.00 174.62 174.64 1u1i s ALA 1108N -0.96 0.12 -0.19 7.40 0.00 0.33 -2.39 121.76 126.07 1u1i s ALA 1108Ca 0.16 -0.27 0.01 0.00 0.00 0.00 0.00 51.96 51.86 1u1i s ALA 1108Cb -0.11 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.09 1u1i s ALA 1108CO 0.06 -0.04 -0.11 -0.06 0.00 0.00 0.00 175.76 175.61 1u1i s PHE 1109N -0.59 2.32 0.13 0.00 0.40 0.22 0.07 117.98 120.53 1u1i s PHE 1109Ca -0.06 -1.48 0.09 0.00 -0.60 0.00 0.00 56.93 54.88 1u1i s PHE 1109Cb -0.04 -1.61 -0.04 0.00 0.51 0.00 0.00 43.02 41.84 1u1i s PHE 1109CO -0.00 -0.72 -0.22 -0.51 0.70 0.00 0.00 175.22 174.47 1u1i s ASP 1110N 1.43 2.79 -0.04 1.36 -0.00 -0.12 -1.34 116.67 120.74 1u1i s ASP 1110Ca 0.00 -0.75 -0.02 0.00 -0.00 0.00 0.00 52.55 51.78 1u1i s ASP 1110Cb -0.15 -0.17 0.02 0.00 -0.00 0.00 0.00 42.92 42.62 1u1i s ASP 1110CO -0.09 0.07 0.09 0.12 -0.00 0.00 0.00 175.17 175.36 1u1i s PHE 1111N -1.38 -0.09 -0.15 4.23 2.19 -0.79 -2.59 117.98 119.40 1u1i s PHE 1111Ca 0.11 0.28 0.02 0.00 0.33 0.00 0.00 56.93 57.66 1u1i s PHE 1111Cb -0.09 -0.05 0.02 0.00 -1.31 0.00 0.00 43.02 41.59 1u1i s PHE 1111CO 0.06 -0.09 -0.20 0.08 1.83 0.00 0.00 175.22 176.90 1u1i s VAL 1112N 0.56 1.94 -0.38 3.12 1.01 0.16 -0.43 120.40 126.39 1u1i s VAL 1112Ca -0.04 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.86 1u1i s VAL 1112Cb -0.06 -1.74 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1u1i s VAL 1112CO -0.02 0.52 0.56 -2.28 0.00 0.00 0.00 175.10 173.88 1u1i s HIS 1113N 1.09 3.15 0.08 5.22 2.46 0.58 -2.33 115.29 125.54 1u1i s HIS 1113Ca -0.01 0.11 0.06 0.00 0.47 0.00 0.00 55.06 55.69 1u1i s HIS 1113Cb -0.14 -3.05 -0.03 0.00 -0.13 0.00 0.00 32.58 29.23 1u1i s HIS 1113CO -0.07 -0.64 -0.16 -0.59 -2.47 0.00 0.00 174.74 170.81 1u1i s PHE 1114N 2.52 1.38 -0.08 3.88 -0.12 -0.93 0.12 117.98 124.75 1u1i s PHE 1114Ca 0.20 -0.45 0.03 0.00 -0.05 0.00 0.00 56.93 56.66 1u1i s PHE 1114Cb -0.15 -0.77 -0.02 0.00 -0.63 0.00 0.00 43.02 41.45 1u1i s PHE 1114CO 0.15 0.10 -0.16 0.21 -0.05 0.00 0.00 175.22 175.47 1u1i s LYS 1115N -1.78 2.84 0.29 1.99 2.20 0.52 0.19 119.74 125.98 1u1i s LYS 1115Ca 0.00 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 1u1i s LYS 1115Cb -0.10 -2.43 0.01 0.00 -1.51 0.00 0.00 37.83 33.80 1u1i s LYS 1115CO 0.03 0.43 0.11 0.41 -0.36 0.00 0.00 175.35 175.97 1u1i n GLY 1116N 2.87 3.38 0.00 5.54 0.00 -1.02 -1.41 105.19 114.55 1u1i n GLY 1116Ca -0.18 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.57 1u1i n GLY 1116CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u1i n PHE 1117N -0.94 0.00 -0.27 1.61 7.35 -1.26 -1.49 117.46 122.45 1u1i n PHE 1117Ca -0.06 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.54 1u1i n PHE 1117Cb 0.35 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.21 1u1i n PHE 1117CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1u1i n LEU 1118N -0.04 5.19 0.00 -2.13 4.77 -1.26 -4.72 117.00 118.81 1u1i n LEU 1118Ca 0.00 -2.57 0.00 0.00 -0.03 0.00 0.00 56.01 53.41 1u1i n LEU 1118Cb 0.00 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1u1i n LEU 1118CO 0.00 0.94 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 1u1i n GLY 1119N 0.54 2.57 3.56 -0.72 0.00 -0.56 -5.01 105.19 105.57 1u1i n GLY 1119Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1u1i n GLY 1119CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1u1i n LYS 1120N -2.00 0.57 -4.27 1.61 3.00 -1.24 -4.77 118.16 111.06 1u1i n LYS 1120Ca 0.00 0.24 -0.34 0.00 -0.00 0.00 0.00 58.31 58.21 1u1i n LYS 1120Cb 0.00 -2.04 -0.09 0.00 0.00 0.00 0.00 35.03 32.90 1u1i n LYS 1120CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1u1i s LEU 1121N -1.58 3.68 0.00 3.14 1.43 -1.26 -2.44 118.68 121.65 1u1i s LEU 1121Ca 0.72 0.14 0.03 0.00 -1.03 0.00 0.00 54.13 53.99 1u1i s LEU 1121Cb -0.38 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 43.87 1u1i s LEU 1121CO 0.51 0.34 0.12 0.23 0.23 0.00 0.00 176.35 177.79 1u1i n MET 1122N 1.81 0.44 -3.81 1.70 2.81 0.49 -4.96 117.12 115.61 1u1i n MET 1122Ca -0.17 -1.81 -0.13 0.00 -1.81 0.00 0.00 57.70 53.79 1u1i n MET 1122Cb 0.53 1.26 -0.13 0.00 -0.71 0.00 0.00 33.22 34.18 1u1i n MET 1122CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1u1i s LYS 1123N -2.77 0.14 -0.10 0.03 1.02 -1.26 -2.19 119.74 114.62 1u1i s LYS 1123Ca 0.17 0.23 -0.04 0.00 0.02 0.00 0.00 55.97 56.35 1u1i s LYS 1123Cb 0.01 0.01 0.05 0.00 -0.52 0.00 0.00 37.83 37.38 1u1i s LYS 1123CO 0.12 -0.06 0.21 0.12 -0.92 0.00 0.00 175.35 174.82 1u1i s PHE 1124N 0.35 -0.28 0.18 3.18 2.19 -0.98 -4.98 117.98 117.63 1u1i s PHE 1124Ca -0.02 0.72 0.10 0.00 0.33 0.00 0.00 56.93 58.06 1u1i s PHE 1124Cb -0.04 -0.06 -0.04 0.00 -1.31 0.00 0.00 43.02 41.57 1u1i s PHE 1124CO -0.01 -0.25 -0.22 0.71 1.83 0.00 0.00 175.22 177.27 1u1i s TYR 1125N 1.68 2.12 -0.22 10.12 1.51 -1.26 0.41 117.35 131.71 1u1i s TYR 1125Ca -0.05 -0.40 -0.20 0.00 -1.01 0.00 0.00 57.07 55.42 1u1i s TYR 1125Cb -0.11 -1.06 0.06 0.00 -0.11 0.00 0.00 41.96 40.73 1u1i s TYR 1125CO -0.07 0.42 0.58 -0.59 -1.11 0.00 0.00 175.55 174.78 1u1i s PHE 1126N -1.73 -0.64 -0.20 2.71 -0.71 -1.07 -5.02 117.98 111.31 1u1i s PHE 1126Ca 0.18 1.56 -0.03 0.00 -1.04 0.00 0.00 56.93 57.60 1u1i s PHE 1126Cb -0.07 0.22 -0.01 0.00 -1.21 0.00 0.00 43.02 41.95 1u1i s PHE 1126CO 0.08 -0.31 -0.07 0.42 -1.34 0.00 0.00 175.22 174.01 1u1i s ILE 1127N 0.33 3.22 -0.14 -4.49 1.01 -1.26 -0.95 121.20 118.91 1u1i s ILE 1127Ca -0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 1u1i s ILE 1127Cb -0.04 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 1u1i s ILE 1127CO 0.01 0.45 0.28 0.86 0.00 0.00 0.00 174.94 176.53 1u1i s TRP 1128N 1.29 3.50 -0.35 3.97 -0.11 0.11 -4.92 118.94 122.42 1u1i s TRP 1128Ca 0.03 0.61 0.00 0.00 1.22 0.00 0.00 56.10 57.96 1u1i s TRP 1128Cb -0.14 -2.28 0.14 0.00 -1.50 0.00 0.00 33.47 29.69 1u1i s TRP 1128CO -0.03 0.33 0.23 0.34 -4.62 0.00 0.00 176.95 173.20 1u1i s ASP 1129N 0.16 2.79 0.37 5.86 2.15 -1.26 0.12 116.67 126.86 1u1i s ASP 1129Ca 0.16 -2.12 -0.06 0.00 0.43 0.00 0.00 52.55 50.96 1u1i s ASP 1129Cb -0.13 -0.30 0.02 0.00 -0.30 0.00 0.00 42.92 42.21 1u1i s ASP 1129CO 0.04 -0.31 0.58 0.00 -0.17 0.00 0.00 175.17 175.32 1u1i s ALA 1130N 1.12 0.34 -0.33 3.66 0.00 -1.14 -5.07 121.76 120.34 1u1i s ALA 1130Ca 0.18 -1.31 -0.03 0.00 0.00 0.00 0.00 51.96 50.80 1u1i s ALA 1130Cb -0.22 1.00 0.06 0.00 0.00 0.00 0.00 23.12 23.96 1u1i s ALA 1130CO 0.00 -0.85 0.06 0.42 0.00 0.00 0.00 175.76 175.39 1u1i s ILE 1131N -2.72 3.16 0.34 0.00 -1.09 -1.26 -2.10 121.20 117.54 1u1i s ILE 1131Ca 0.26 -1.51 0.18 0.00 -2.23 0.00 0.00 60.65 57.35 1u1i s ILE 1131Cb -0.02 -2.90 0.33 0.00 -1.58 0.00 0.00 42.46 38.29 1u1i s ILE 1131CO 0.18 -0.25 1.47 0.47 -1.23 0.00 0.00 174.94 175.58 1u1i n ASP 1132N 4.64 0.29 0.22 3.58 9.92 -1.23 0.11 116.55 134.08 1u1i n ASP 1132Ca -0.10 1.54 0.15 0.00 -0.53 0.00 0.00 54.79 55.85 1u1i n ASP 1132Cb 0.43 -0.74 0.75 0.00 -0.64 0.00 0.00 41.12 40.92 1u1i n ASP 1132CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1u1i h ALA 1133N 1.86 1.00 0.05 2.24 0.00 -1.89 -1.33 119.26 121.19 1u1i h ALA 1133Ca 0.77 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 55.35 1u1i h ALA 1133Cb 2.02 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.77 1u1i h ALA 1133CO -0.73 0.00 -1.90 -0.89 0.00 0.00 0.00 179.25 175.74 1u1i n ILE 1134N -2.60 1.67 0.14 0.00 -0.00 0.31 -2.67 119.36 116.21 1u1i n ILE 1134Ca -0.01 -0.73 0.12 0.00 -0.00 0.00 0.00 62.75 62.13 1u1i n ILE 1134Cb 0.13 -1.31 0.03 0.00 -0.00 0.00 0.00 39.64 38.49 1u1i n ILE 1134CO 0.00 0.00 0.00 -0.37 -0.00 0.00 0.00 176.55 176.18 1u1i h VAL 1135N 0.03 0.00 0.09 1.39 -1.51 -1.47 -3.36 116.25 111.42 1u1i h VAL 1135Ca -0.37 -0.99 -0.37 0.00 -1.23 0.00 0.00 66.70 63.75 1u1i h VAL 1135Cb 2.03 1.58 -0.03 0.00 -2.13 0.00 0.00 31.29 32.74 1u1i h VAL 1135CO 0.07 0.00 -2.11 0.00 -1.23 0.00 0.00 177.57 174.31 1u1i n ALA 1136N -2.16 1.05 -0.18 5.19 0.00 -0.54 -4.52 120.51 119.36 1u1i n ALA 1136Ca 0.01 -0.73 0.12 0.00 0.00 0.00 0.00 53.44 52.84 1u1i n ALA 1136Cb 0.54 -0.54 0.43 0.00 0.00 0.00 0.00 19.45 19.88 1u1i n ALA 1136CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u1i h ALA 1137N 0.11 1.92 -0.21 0.00 0.00 -1.65 -1.66 119.26 117.77 1u1i h ALA 1137Ca -0.46 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.27 1u1i h ALA 1137Cb 2.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1u1i h ALA 1137CO 0.05 -0.09 -0.56 -1.00 0.00 0.00 0.00 179.25 177.64 1u1i h PRO 1138N 0.57 0.74 -1.05 0.00 0.13 -1.81 -3.20 132.00 127.39 1u1i h PRO 1138Ca 0.35 -0.53 0.29 0.00 -0.87 0.00 0.00 66.00 65.25 1u1i h PRO 1138Cb 0.60 0.08 -0.12 0.00 0.13 0.00 0.00 31.00 31.69 1u1i h PRO 1138CO -0.13 1.15 0.64 -0.07 -0.23 0.00 0.00 178.00 179.36 1u1i h LEU 1139N 0.47 0.52 -1.77 1.56 3.38 -1.54 0.96 115.31 118.88 1u1i h LEU 1139Ca -0.01 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1u1i h LEU 1139Cb 1.18 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1u1i h LEU 1139CO 0.12 0.00 -0.12 0.40 0.09 0.00 0.00 178.44 178.93 1u1i h ILE 1140N 0.41 1.05 0.17 1.22 1.08 -1.48 -0.85 117.51 119.12 1u1i h ILE 1140Ca 0.68 -0.43 -0.36 0.00 -0.39 0.00 0.00 64.86 64.36 1u1i h ILE 1140Cb 1.57 1.23 0.00 0.00 -3.07 0.00 0.00 36.82 36.56 1u1i h ILE 1140CO -0.46 0.12 -1.81 -0.07 -0.69 0.00 0.00 178.15 175.24 1u1i h LEU 1141N 0.00 0.57 -0.95 1.44 3.38 0.61 -2.99 115.31 117.37 1u1i h LEU 1141Ca -0.00 -0.94 0.03 0.00 0.09 0.00 0.00 57.88 57.06 1u1i h LEU 1141Cb 0.22 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1u1i h LEU 1141CO 0.02 1.80 0.62 0.44 0.09 0.00 0.00 178.44 181.41 1u1i h ASP 1142N 0.10 1.04 -0.09 -0.43 3.45 -0.01 -2.71 116.42 117.76 1u1i h ASP 1142Ca -0.36 -0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.08 1u1i h ASP 1142Cb 2.09 -0.24 -0.00 0.00 -0.56 0.00 0.00 39.33 40.61 1u1i h ASP 1142CO 0.16 0.72 0.02 0.40 -1.57 0.00 0.00 179.24 178.97 1u1i h ILE 1143N 1.21 1.19 -0.83 0.35 2.04 -1.29 -0.26 117.51 119.91 1u1i h ILE 1143Ca 0.37 -0.57 0.11 0.00 1.00 0.00 0.00 64.86 65.77 1u1i h ILE 1143Cb -0.02 1.40 -0.08 0.00 -0.74 0.00 0.00 36.82 37.38 1u1i h ILE 1143CO -0.12 0.16 0.46 0.00 0.00 0.00 0.00 178.15 178.66 1u1i h ALA 1144N 0.82 1.21 -0.09 1.87 0.00 -1.35 -0.59 119.26 121.14 1u1i h ALA 1144Ca 0.03 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1u1i h ALA 1144Cb 0.24 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1u1i h ALA 1144CO -0.00 0.04 -0.58 0.00 0.00 0.00 0.00 179.25 178.72 1u1i h ARG 1145N 0.74 0.54 0.00 0.00 3.08 -1.29 0.03 114.38 117.48 1u1i h ARG 1145Ca 0.42 -0.47 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1u1i h ARG 1145Cb 0.45 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1u1i h ARG 1145CO -0.28 1.10 -0.34 0.74 -1.07 0.00 0.00 179.97 180.11 1u1i h PHE 1146N 0.15 0.00 0.05 3.04 -1.00 -0.91 -2.20 116.94 116.06 1u1i h PHE 1146Ca -0.05 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.49 1u1i h PHE 1146Cb 1.23 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.77 1u1i h PHE 1146CO 0.12 0.34 -1.15 -0.07 -1.61 0.00 0.00 178.31 175.94 1u1i h LEU 1147N 0.00 0.16 -0.03 1.54 3.38 -0.85 -1.01 115.31 118.50 1u1i h LEU 1147Ca -0.00 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1u1i h LEU 1147Cb 0.82 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1u1i h LEU 1147CO 0.04 1.15 -0.04 0.25 0.09 0.00 0.00 178.44 179.93 1u1i h LEU 1148N 0.03 0.08 -0.16 1.67 5.85 -0.97 -1.90 115.31 119.91 1u1i h LEU 1148Ca -0.08 -0.54 0.05 0.00 0.84 0.00 0.00 57.88 58.15 1u1i h LEU 1148Cb 1.87 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.81 1u1i h LEU 1148CO 0.15 0.60 -0.36 0.15 -0.34 0.00 0.00 178.44 178.64 1u1i h PHE 1149N -0.44 -1.02 -0.42 1.25 3.04 -1.47 -2.30 116.94 115.58 1u1i h PHE 1149Ca 0.00 0.04 0.09 0.00 3.98 0.00 0.00 57.97 62.08 1u1i h PHE 1149Cb 0.58 0.47 -0.09 0.00 2.56 0.00 0.00 35.95 39.48 1u1i h PHE 1149CO 0.11 -0.43 -0.16 0.00 -2.02 0.00 0.00 178.31 175.81 1u1i h ALA 1150N 0.33 0.19 -0.51 2.41 0.00 -1.20 -0.66 119.26 119.82 1u1i h ALA 1150Ca 0.10 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.27 1u1i h ALA 1150Cb 0.58 0.41 -0.09 0.00 0.00 0.00 0.00 17.79 18.69 1u1i h ALA 1150CO -0.39 -0.51 -0.08 -0.22 0.00 0.00 0.00 179.25 178.05 1u1i h LYS 1151N -0.07 0.04 0.00 0.00 3.64 -1.09 0.24 116.57 119.33 1u1i h LYS 1151Ca 0.21 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.49 1u1i h LYS 1151Cb 0.38 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1u1i h LYS 1151CO -0.47 0.02 -0.44 0.87 -2.27 0.00 0.00 179.45 177.17 1u1i h LYS 1152N 0.04 0.00 -0.92 1.90 1.57 -0.78 -2.46 116.57 115.92 1u1i h LYS 1152Ca 0.25 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1u1i h LYS 1152Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1u1i h LYS 1152CO -0.49 0.44 0.01 1.63 -0.57 0.00 0.00 179.45 180.47 1u1i n LYS 1153N -3.85 1.82 -1.13 3.15 4.76 -0.33 -4.82 118.16 117.76 1u1i n LYS 1153Ca -0.01 -0.69 -0.04 0.00 -2.87 0.00 0.00 58.31 54.69 1u1i n LYS 1153Cb 0.49 -1.64 -0.02 0.00 -1.84 0.00 0.00 35.03 32.02 1u1i n LYS 1153CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1u1i n GLY 1154N 0.14 0.62 3.71 0.72 0.00 -0.93 -4.98 105.19 104.47 1u1i n GLY 1154Ca 0.07 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 1u1i n GLY 1154CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1i s VAL 1155N -1.81 2.96 0.16 1.61 1.01 0.69 -4.99 120.40 120.04 1u1i s VAL 1155Ca 0.00 0.66 0.02 0.00 0.00 0.00 0.00 61.98 62.67 1u1i s VAL 1155Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 1u1i s VAL 1155CO 0.00 0.04 0.08 2.29 0.00 0.00 0.00 175.10 177.51 1u1i n LYS 1156N 4.16 0.62 0.00 2.72 2.85 -1.26 -3.32 118.16 123.92 1u1i n LYS 1156Ca 0.13 -1.41 0.00 0.00 -1.05 0.00 0.00 58.31 55.98 1u1i n LYS 1156Cb 0.40 0.87 0.00 0.00 -0.65 0.00 0.00 35.03 35.66 1u1i n LYS 1156CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1u1i n GLY 1157N 0.68 1.82 3.90 2.58 0.00 0.24 -4.28 105.19 110.13 1u1i n GLY 1157Ca -0.01 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 1u1i n GLY 1157CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1i s VAL 1158N 0.00 5.24 -0.93 1.61 1.01 -1.26 0.14 120.40 126.22 1u1i s VAL 1158Ca 0.00 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1u1i s VAL 1158Cb 0.00 -3.62 0.24 0.00 0.00 0.00 0.00 36.38 33.00 1u1i s VAL 1158CO 0.00 0.10 0.88 -0.69 0.00 0.00 0.00 175.10 175.39 1u1i s VAL 1159N -1.58 5.64 -2.00 2.92 1.01 0.16 -4.81 120.40 121.75 1u1i s VAL 1159Ca 0.38 -2.89 0.23 0.00 0.00 0.00 0.00 61.98 59.70 1u1i s VAL 1159Cb -0.13 -4.45 0.65 0.00 0.00 0.00 0.00 36.38 32.46 1u1i s VAL 1159CO 0.25 -1.08 1.78 0.29 0.00 0.00 0.00 175.10 176.34 1u1i n LYS 1160N 3.43 0.83 -0.14 2.72 5.02 -1.26 -1.97 118.16 126.78 1u1i n LYS 1160Ca 0.18 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.58 1u1i n LYS 1160Cb 0.43 -1.43 0.26 0.00 -0.02 0.00 0.00 35.03 34.27 1u1i n LYS 1160CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1u1i n GLU 1161N -0.93 2.23 -0.25 1.97 4.71 -1.26 -3.87 120.64 123.23 1u1i n GLU 1161Ca 0.17 -1.84 0.11 0.00 -0.01 0.00 0.00 57.16 55.59 1u1i n GLU 1161Cb 0.08 -1.47 0.24 0.00 -1.01 0.00 0.00 31.44 29.28 1u1i n GLU 1161CO 0.00 0.00 0.00 -1.33 0.09 0.00 0.00 177.13 175.89 1u1i n MET 1162N 1.07 2.56 -0.32 3.49 2.81 -0.83 -3.84 117.12 122.06 1u1i n MET 1162Ca 0.18 -2.38 0.29 0.00 -1.81 0.00 0.00 57.70 53.98 1u1i n MET 1162Cb 0.51 -1.51 0.55 0.00 -0.71 0.00 0.00 33.22 32.06 1u1i n MET 1162CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1u1i h ALA 1163N 4.16 2.04 -1.26 3.04 0.00 -1.76 -1.98 119.26 123.50 1u1i h ALA 1163Ca 0.00 0.27 0.37 0.00 0.00 0.00 0.00 54.91 55.55 1u1i h ALA 1163Cb 0.96 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1u1i h ALA 1163CO 0.00 -0.89 1.18 0.34 0.00 0.00 0.00 179.25 179.88 1u1i n PHE 1164N -5.27 0.00 0.21 0.00 -0.00 -1.26 -1.28 117.46 109.86 1u1i n PHE 1164Ca 0.36 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.89 1u1i n PHE 1164Cb 1.21 -0.32 -0.13 0.00 -0.00 0.00 0.00 39.48 40.25 1u1i n PHE 1164CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1u1i n PHE 1165N -3.31 0.00 -4.33 -5.13 3.72 -0.74 -4.89 117.46 102.78 1u1i n PHE 1165Ca 0.28 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.45 1u1i n PHE 1165Cb 1.56 -0.29 -0.08 0.00 -0.94 0.00 0.00 39.48 39.73 1u1i n PHE 1165CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 1u1i s PHE 1166N -3.05 2.61 -0.32 1.38 0.40 -0.40 0.53 117.98 119.12 1u1i s PHE 1166Ca -0.03 -0.24 0.08 0.00 -0.60 0.00 0.00 56.93 56.14 1u1i s PHE 1166Cb 0.12 -1.17 -0.09 0.00 0.51 0.00 0.00 43.02 42.38 1u1i s PHE 1166CO 0.72 0.62 0.32 0.36 0.70 0.00 0.00 175.22 177.94 1u1i n LYS 1167N -0.67 3.68 -3.07 0.44 2.85 0.17 -4.51 118.16 117.06 1u1i n LYS 1167Ca -0.07 -0.01 -0.25 0.00 -1.05 0.00 0.00 58.31 56.93 1u1i n LYS 1167Cb 0.58 -0.93 -0.05 0.00 -0.65 0.00 0.00 35.03 33.99 1u1i n LYS 1167CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1u1i n SER 1168N -1.29 3.53 -4.77 -5.58 7.64 -0.64 -4.87 113.62 107.65 1u1i n SER 1168Ca 0.01 -3.49 -0.41 0.00 1.01 0.00 0.00 58.87 55.99 1u1i n SER 1168Cb 0.14 -0.59 -0.00 0.00 -1.01 0.00 0.00 64.21 62.75 1u1i n SER 1168CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1u1i n PRO 1169N 0.08 2.66 -2.13 1.43 -0.02 -1.26 -4.33 135.00 131.43 1u1i n PRO 1169Ca 0.29 0.93 -0.33 0.00 -2.02 0.00 0.00 63.50 62.38 1u1i n PRO 1169Cb 0.45 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1u1i n PRO 1169CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1u1i s MET 1170N -1.95 3.40 -1.45 -0.52 -1.94 -1.22 -4.14 119.30 111.48 1u1i s MET 1170Ca 0.54 1.23 -0.16 0.00 -1.71 0.00 0.00 55.69 55.59 1u1i s MET 1170Cb -0.48 -2.04 0.15 0.00 2.01 0.00 0.00 34.83 34.47 1u1i s MET 1170CO 0.62 -0.75 0.54 -0.25 -0.01 0.00 0.00 175.02 175.18 1u1i n ASP 1171N -1.86 -2.49 -3.51 3.03 9.92 -1.26 -4.72 116.55 115.66 1u1i n ASP 1171Ca 0.09 -0.77 -0.17 0.00 -0.53 0.00 0.00 54.79 53.42 1u1i n ASP 1171Cb 0.53 -2.11 -0.05 0.00 -0.64 0.00 0.00 41.12 38.84 1u1i n ASP 1171CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1u1i s THR 1172N -3.01 0.00 -0.44 -3.53 -1.32 -1.26 -4.95 115.64 101.13 1u1i s THR 1172Ca 0.61 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 61.17 1u1i s THR 1172Cb -0.34 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.06 1u1i s THR 1172CO 0.75 0.00 1.04 -3.20 -2.21 0.00 0.00 174.62 171.00 1u1i n ASN 1173N 0.70 3.88 -4.30 8.08 5.15 -1.26 -4.79 115.26 122.71 1u1i n ASN 1173Ca -0.18 -3.49 -0.41 0.00 -0.60 0.00 0.00 54.58 49.90 1u1i n ASN 1173Cb 0.58 -0.50 -0.10 0.00 -0.53 0.00 0.00 39.78 39.24 1u1i n ASN 1173CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1u1i s VAL 1174N -4.78 4.41 -0.07 3.44 1.01 -1.26 -4.97 120.40 118.18 1u1i s VAL 1174Ca 0.44 -1.26 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1u1i s VAL 1174Cb 0.39 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 33.04 1u1i s VAL 1174CO -0.13 -0.47 0.02 -0.38 0.00 0.00 0.00 175.10 174.14 1u1i n ILE 1175N 4.97 0.50 -1.67 2.22 2.08 -1.26 -4.90 119.36 121.29 1u1i n ILE 1175Ca -0.11 -0.30 -0.50 0.00 0.56 0.00 0.00 62.75 62.40 1u1i n ILE 1175Cb 0.44 -0.81 -0.05 0.00 -0.75 0.00 0.00 39.64 38.46 1u1i n ILE 1175CO 0.00 0.00 0.00 -3.20 0.56 0.00 0.00 176.55 173.91 1u1i n ASN 1176N -2.29 2.92 0.31 4.38 2.85 -1.26 -4.85 115.26 117.32 1u1i n ASN 1176Ca -0.12 1.04 -0.18 0.00 -0.11 0.00 0.00 54.58 55.21 1u1i n ASN 1176Cb 0.73 -1.31 -0.10 0.00 1.24 0.00 0.00 39.78 40.35 1u1i n ASN 1176CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1u1i h THR 1177N 4.73 0.00 0.00 -0.44 2.02 -1.70 -0.21 112.91 117.32 1u1i h THR 1177Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1u1i h THR 1177Cb 1.29 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 1u1i h THR 1177CO 0.92 0.00 0.00 1.57 0.37 0.00 0.00 175.52 178.38 1u1i n HIS 1178N -5.43 0.70 0.01 3.16 -0.00 -1.26 -1.06 115.22 111.34 1u1i n HIS 1178Ca -0.12 0.33 -0.02 0.00 -0.00 0.00 0.00 57.72 57.91 1u1i n HIS 1178Cb 0.46 -1.03 -0.10 0.00 -0.00 0.00 0.00 29.99 29.31 1u1i n HIS 1178CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 1u1i n GLU 1179N -2.19 0.63 0.04 1.57 2.13 -0.70 -2.23 120.64 119.89 1u1i n GLU 1179Ca -0.00 0.21 -0.19 0.00 0.66 0.00 0.00 57.16 57.84 1u1i n GLU 1179Cb 0.10 -1.78 -0.09 0.00 0.27 0.00 0.00 31.44 29.94 1u1i n GLU 1179CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1u1i h GLN 1180N 0.00 0.67 -0.13 5.31 4.20 -0.15 -2.81 115.11 122.21 1u1i h GLN 1180Ca -0.21 -0.71 -0.08 0.00 0.06 0.00 0.00 58.65 57.71 1u1i h GLN 1180Cb 1.71 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 29.67 1u1i h GLN 1180CO 0.05 1.29 -0.29 0.35 -0.67 0.00 0.00 178.83 179.56 1u1i h PHE 1181N 0.38 0.26 -0.01 2.96 3.57 -1.18 0.85 116.94 123.78 1u1i h PHE 1181Ca -0.12 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.31 1u1i h PHE 1181Cb 1.67 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.35 1u1i h PHE 1181CO 0.10 0.51 -0.06 0.28 -2.23 0.00 0.00 178.31 176.91 1u1i h VAL 1182N 0.21 1.53 -0.69 1.41 2.07 -1.49 -2.00 116.25 117.30 1u1i h VAL 1182Ca 0.03 -1.66 0.10 0.00 0.82 0.00 0.00 66.70 65.99 1u1i h VAL 1182Cb 0.63 2.62 -0.07 0.00 -1.52 0.00 0.00 31.29 32.95 1u1i h VAL 1182CO 0.05 0.44 0.32 0.58 0.02 0.00 0.00 177.57 178.97 1u1i h VAL 1183N -0.60 0.81 -0.67 2.57 2.07 -1.32 0.40 116.25 119.51 1u1i h VAL 1183Ca -0.00 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.36 1u1i h VAL 1183Cb 0.75 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1u1i h VAL 1183CO 0.01 0.10 0.41 0.25 0.02 0.00 0.00 177.57 178.36 1u1i h LEU 1184N 0.54 0.67 -0.01 2.57 5.85 0.77 -1.51 115.31 124.19 1u1i h LEU 1184Ca 0.35 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 1u1i h LEU 1184Cb 0.40 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 1u1i h LEU 1184CO -0.29 0.46 0.00 0.11 -0.34 0.00 0.00 178.44 178.38 1u1i h LYS 1185N 0.80 0.01 0.00 1.25 1.57 -0.55 -3.09 116.57 116.57 1u1i h LYS 1185Ca 0.27 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1u1i h LYS 1185Cb 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1u1i h LYS 1185CO -0.11 0.23 0.00 0.39 -0.57 0.00 0.00 179.45 179.39 1u1i n GLU 1186N -4.98 0.13 0.17 3.15 1.02 0.13 -2.30 120.64 117.97 1u1i n GLU 1186Ca -0.08 0.19 -0.09 0.00 -0.02 0.00 0.00 57.16 57.16 1u1i n GLU 1186Cb 0.13 -1.68 -0.05 0.00 -0.02 0.00 0.00 31.44 29.82 1u1i n GLU 1186CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 1u1i h TRP 1187N 0.00 -0.47 -0.25 -0.32 7.01 -1.26 -3.04 115.95 117.62 1u1i h TRP 1187Ca 0.00 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.04 1u1i h TRP 1187Cb 0.54 0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.70 1u1i h TRP 1187CO 0.00 -0.23 -0.09 -0.92 -2.79 0.00 0.00 178.44 174.41 1u1i h TYR 1188N -1.09 -0.21 -0.79 2.65 3.20 -1.47 -1.59 116.97 117.67 1u1i h TYR 1188Ca -0.05 0.02 0.13 0.00 3.14 0.00 0.00 58.73 61.97 1u1i h TYR 1188Cb 0.46 0.13 -0.14 0.00 1.54 0.00 0.00 36.73 38.72 1u1i h TYR 1188CO 0.01 -0.15 -0.35 0.77 -1.64 0.00 0.00 178.16 176.80 1u1i h SER 1189N -0.05 -1.27 0.00 -2.11 0.02 -1.60 0.69 113.55 109.23 1u1i h SER 1189Ca 0.13 0.27 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1u1i h SER 1189Cb 0.24 0.66 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1u1i h SER 1189CO -0.28 -0.30 0.00 0.59 -1.14 0.00 0.00 176.83 175.70 1u1i n ASN 1190N -5.46 0.00 0.00 3.07 3.02 -0.63 -3.24 115.26 112.03 1u1i n ASN 1190Ca 0.07 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 1u1i n ASN 1190Cb 0.38 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.55 1u1i n ASN 1190CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1u1i n LEU 1191N -0.67 0.00 0.00 3.41 4.77 0.21 -5.05 117.00 119.67 1u1i n LEU 1191Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1u1i n LEU 1191Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1u1i n LEU 1191CO 0.03 0.00 0.00 1.17 -1.33 0.00 0.00 177.39 177.26