#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kfx s GLU 794 N 0.00 3.06 0.99 3.52 -1.05 -1.26 -5.09 118.70 118.87 1kfx s GLU 794 Ca 0.00 -0.46 -0.16 0.00 -0.15 0.00 0.00 54.97 54.20 1kfx s GLU 794 Cb 0.00 -2.86 -0.04 0.00 -0.44 0.00 0.00 34.13 30.78 1kfx s GLU 794 CO 0.00 0.66 -0.23 0.45 0.95 0.00 0.00 175.26 177.09 1kfx n SER 795 N 1.37 -3.68 0.03 0.83 2.88 -1.26 -4.70 113.62 109.09 1kfx n SER 795 Ca -0.14 0.21 -0.03 0.00 -1.33 0.00 0.00 58.87 57.58 1kfx n SER 795 Cb 0.53 -0.97 0.22 0.00 -0.75 0.00 0.00 64.21 63.25 1kfx n SER 795 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1kfx h GLU 796 N -1.36 0.44 0.00 -1.46 4.57 -1.99 -2.43 114.58 112.35 1kfx h GLU 796 Ca -0.44 -0.16 -0.07 0.00 -1.18 0.00 0.00 59.36 57.51 1kfx h GLU 796 Cb 1.30 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.85 1kfx h GLU 796 CO 0.29 0.66 -0.31 1.05 -1.18 0.00 0.00 179.01 179.52 1kfx h GLU 797 N 0.40 0.00 0.03 1.92 4.11 -2.00 -2.27 114.58 116.76 1kfx h GLU 797 Ca 0.06 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.26 1kfx h GLU 797 Cb 0.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.89 1kfx h GLU 797 CO 0.05 0.31 -1.00 0.28 0.07 0.00 0.00 179.01 178.72 1kfx h VAL 798 N 0.00 1.46 -0.19 -1.06 2.07 -1.83 -2.73 116.25 113.96 1kfx h VAL 798 Ca -0.00 -2.67 -0.01 0.00 0.82 0.00 0.00 66.70 64.85 1kfx h VAL 798 Cb 0.60 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1kfx h VAL 798 CO 0.04 0.79 0.10 -0.09 0.02 0.00 0.00 177.57 178.42 1kfx h ARG 799 N 0.15 0.27 -0.67 1.57 2.43 -0.95 1.19 114.38 118.37 1kfx h ARG 799 Ca -0.08 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 1kfx h ARG 799 Cb 1.66 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 31.13 1kfx h ARG 799 CO 0.16 0.28 0.26 1.96 -1.51 0.00 0.00 179.97 181.12 1kfx h GLN 800 N 0.19 1.00 -0.09 0.20 4.20 -1.48 0.66 115.11 119.78 1kfx h GLN 800 Ca 0.07 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1kfx h GLN 800 Cb 0.10 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 1kfx h GLN 800 CO -0.01 0.82 -0.05 0.74 -0.67 0.00 0.00 178.83 179.66 1kfx h PHE 801 N 0.97 0.22 -0.65 2.96 0.05 -1.15 -1.22 116.94 118.12 1kfx h PHE 801 Ca 0.23 -0.06 0.14 0.00 3.82 0.00 0.00 57.97 62.10 1kfx h PHE 801 Cb 0.21 -0.05 -0.11 0.00 2.00 0.00 0.00 35.95 37.99 1kfx h PHE 801 CO 0.02 0.56 -0.00 -0.09 -0.18 0.00 0.00 178.31 178.61 1kfx h ARG 802 N -0.19 0.11 -0.80 1.51 2.43 0.21 0.56 114.38 118.20 1kfx h ARG 802 Ca 0.02 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1kfx h ARG 802 Cb 0.51 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 1kfx h ARG 802 CO 0.01 0.07 0.53 -0.09 -1.51 0.00 0.00 179.97 178.99 1kfx h ARG 803 N 0.11 1.05 0.00 0.20 9.65 -0.70 -0.66 114.38 124.03 1kfx h ARG 803 Ca 0.34 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 59.14 1kfx h ARG 803 Cb 0.57 -0.24 -0.00 0.00 -1.39 0.00 0.00 29.97 28.91 1kfx h ARG 803 CO -0.57 0.69 -0.11 1.25 2.80 0.00 0.00 179.97 184.04 1kfx h LEU 804 N 1.08 0.00 0.20 3.80 6.46 0.13 -2.96 115.31 124.02 1kfx h LEU 804 Ca 0.30 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1kfx h LEU 804 Cb -0.11 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.83 1kfx h LEU 804 CO -0.07 0.11 -0.09 -0.26 -0.62 0.00 0.00 178.44 177.51 1kfx h PHE 805 N 0.00 -0.24 -1.17 1.25 -1.00 0.17 -3.25 116.94 112.69 1kfx h PHE 805 Ca -0.00 -0.01 0.33 0.00 2.81 0.00 0.00 57.97 61.10 1kfx h PHE 805 Cb 0.32 0.08 -0.08 0.00 3.61 0.00 0.00 35.95 39.88 1kfx h PHE 805 CO 0.00 -0.15 0.80 0.00 -1.61 0.00 0.00 178.31 177.35 1kfx h ALA 806 N -1.45 2.75 0.00 2.45 0.00 -1.55 1.43 119.26 122.88 1kfx h ALA 806 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1kfx h ALA 806 Cb 0.20 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1kfx h ALA 806 CO 0.04 -1.16 0.00 1.04 0.00 0.00 0.00 179.25 179.18 1kfx n GLN 807 N -4.41 0.01 0.00 0.00 6.02 -1.12 -0.00 117.38 117.88 1kfx n GLN 807 Ca 0.27 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 1kfx n GLN 807 Cb 1.15 -1.52 0.00 0.00 1.02 0.00 0.00 30.24 30.88 1kfx n GLN 807 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1kfx n LEU 808 N -1.55 0.00 0.00 1.08 4.77 0.48 -4.78 117.00 117.00 1kfx n LEU 808 Ca 0.03 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.13 1kfx n LEU 808 Cb 0.18 -0.31 0.22 0.00 -2.33 0.00 0.00 43.42 41.18 1kfx n LEU 808 CO 0.14 -0.46 0.41 0.00 -1.33 0.00 0.00 177.39 176.15 1kfx n ALA 809 N -2.41 3.62 -0.45 -1.18 0.00 -0.63 -5.04 120.51 114.42 1kfx n ALA 809 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1kfx n ALA 809 Cb 0.00 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1kfx n ALA 809 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfx n GLY 810 N 1.49 1.63 0.25 0.00 0.00 1.00 -2.72 105.19 106.84 1kfx n GLY 810 Ca 0.05 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.57 1kfx n GLY 810 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1kfx h ASP 811 N 6.03 0.00 -0.02 1.61 3.32 -1.94 -1.49 116.42 123.93 1kfx h ASP 811 Ca 0.00 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.06 1kfx h ASP 811 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1kfx h ASP 811 CO 0.00 0.07 0.11 0.44 -1.72 0.00 0.00 179.24 178.14 1kfx h ASP 812 N 0.00 0.00 -4.69 6.45 3.45 -1.91 -3.46 116.42 116.26 1kfx h ASP 812 Ca -0.00 0.00 -0.23 0.00 0.43 0.00 0.00 57.03 57.23 1kfx h ASP 812 Cb 0.12 0.00 0.01 0.00 -0.56 0.00 0.00 39.33 38.90 1kfx h ASP 812 CO 0.01 0.00 -0.68 0.23 -1.57 0.00 0.00 179.24 177.23 1kfx n MET 813 N -3.14 -1.06 -3.61 3.56 2.81 -0.56 -4.96 117.12 110.16 1kfx n MET 813 Ca -0.02 0.76 -0.12 0.00 -1.81 0.00 0.00 57.70 56.50 1kfx n MET 813 Cb 0.18 -1.12 -0.05 0.00 -0.71 0.00 0.00 33.22 31.52 1kfx n MET 813 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1kfx s GLU 814 N -1.58 1.02 0.10 0.03 2.02 -1.26 -3.72 118.70 115.31 1kfx s GLU 814 Ca 0.20 -0.42 0.02 0.00 0.02 0.00 0.00 54.97 54.79 1kfx s GLU 814 Cb -0.02 0.46 -0.04 0.00 0.10 0.00 0.00 34.13 34.63 1kfx s GLU 814 CO 0.49 -0.38 -0.07 0.54 0.02 0.00 0.00 175.26 175.87 1kfx s VAL 815 N -2.91 0.70 0.46 2.63 0.11 -1.07 -4.09 120.40 116.23 1kfx s VAL 815 Ca -0.03 -1.89 0.07 0.00 -2.93 0.00 0.00 61.98 57.21 1kfx s VAL 815 Cb -0.00 -1.62 0.00 0.00 -1.53 0.00 0.00 36.38 33.23 1kfx s VAL 815 CO -0.05 -0.84 0.43 -0.55 -3.33 0.00 0.00 175.10 170.76 1kfx s SER 816 N -2.96 4.98 0.13 3.54 0.15 -1.26 -1.67 113.70 116.61 1kfx s SER 816 Ca 0.11 -0.85 -0.23 0.00 0.70 0.00 0.00 55.95 55.68 1kfx s SER 816 Cb 0.04 -0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 64.06 1kfx s SER 816 CO -0.04 -0.82 1.66 0.00 1.20 0.00 0.00 173.24 175.24 1kfx h ALA 817 N 0.88 -0.11 0.29 5.45 0.00 -1.89 0.93 119.26 124.80 1kfx h ALA 817 Ca -0.39 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1kfx h ALA 817 Cb 1.28 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 19.38 1kfx h ALA 817 CO 0.55 -0.63 -0.50 1.15 0.00 0.00 0.00 179.25 179.82 1kfx h THR 818 N -0.22 0.00 -0.70 0.00 2.02 -1.95 0.76 112.91 112.82 1kfx h THR 818 Ca 0.10 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.43 1kfx h THR 818 Cb 0.36 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.66 1kfx h THR 818 CO -0.26 0.00 0.08 -0.33 0.37 0.00 0.00 175.52 175.38 1kfx h GLU 819 N -0.84 0.17 -0.63 6.66 5.08 -1.80 0.50 114.58 123.72 1kfx h GLU 819 Ca -0.03 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1kfx h GLU 819 Cb 0.78 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1kfx h GLU 819 CO -0.18 0.11 0.38 1.25 -1.00 0.00 0.00 179.01 179.57 1kfx h LEU 820 N 0.18 0.75 0.37 1.33 5.85 0.22 -1.24 115.31 122.76 1kfx h LEU 820 Ca 0.39 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.06 1kfx h LEU 820 Cb 0.66 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1kfx h LEU 820 CO -0.55 0.58 -0.27 -0.03 -0.34 0.00 0.00 178.44 177.83 1kfx h MET 821 N 0.87 -0.61 -0.13 1.25 4.05 0.56 0.87 114.93 121.80 1kfx h MET 821 Ca 0.23 0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.66 1kfx h MET 821 Cb -0.03 0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.90 1kfx h MET 821 CO -0.04 -0.41 -0.06 -2.95 0.23 0.00 0.00 176.91 173.69 1kfx h ASN 822 N -0.63 0.27 -1.28 1.39 -1.07 -1.38 0.89 115.58 113.76 1kfx h ASN 822 Ca -0.03 -0.41 0.37 0.00 0.07 0.00 0.00 56.30 56.30 1kfx h ASN 822 Cb 0.54 -0.07 -0.06 0.00 -2.07 0.00 0.00 38.32 36.66 1kfx h ASN 822 CO 0.00 0.61 0.91 0.40 0.07 0.00 0.00 177.43 179.43 1kfx h ILE 823 N -0.08 0.35 0.08 6.14 1.08 -1.08 0.29 117.51 124.29 1kfx h ILE 823 Ca 0.03 -0.02 -0.34 0.00 -0.39 0.00 0.00 64.86 64.14 1kfx h ILE 823 Cb 0.51 0.30 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 1kfx h ILE 823 CO 0.02 0.01 -1.91 0.18 -0.69 0.00 0.00 178.15 175.76 1kfx n LEU 824 N -4.22 2.00 -4.50 1.44 4.77 0.29 -4.49 117.00 112.29 1kfx n LEU 824 Ca 0.29 0.28 -0.44 0.00 -0.03 0.00 0.00 56.01 56.11 1kfx n LEU 824 Cb 1.32 -0.65 -0.01 0.00 -2.33 0.00 0.00 43.42 41.76 1kfx n LEU 824 CO 0.39 0.69 1.47 0.20 -1.33 0.00 0.00 177.39 178.80 1kfx s ASN 825 N -6.68 6.90 0.00 -1.43 0.02 0.30 -2.73 114.94 111.33 1kfx s ASN 825 Ca -0.16 -2.60 0.00 0.00 -1.02 0.00 0.00 52.86 49.08 1kfx s ASN 825 Cb 0.07 -2.45 0.00 0.00 0.02 0.00 0.00 41.25 38.89 1kfx s ASN 825 CO 0.79 -0.95 0.00 1.17 0.02 0.00 0.00 177.10 178.13 1kfx n LYS 826 N 6.66 0.00 -0.04 -0.60 4.81 -1.24 -4.70 118.16 123.04 1kfx n LYS 826 Ca 0.37 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.78 1kfx n LYS 826 Cb 0.45 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.42 1kfx n LYS 826 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1kfx n VAL 827 N 0.00 0.56 -0.04 3.15 0.31 -1.10 -4.55 118.33 116.66 1kfx n VAL 827 Ca 0.00 -0.40 0.01 0.00 -0.01 0.00 0.00 64.34 63.94 1kfx n VAL 827 Cb 0.00 -0.53 -0.12 0.00 -0.91 0.00 0.00 33.84 32.28 1kfx n VAL 827 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1kfx n VAL 828 N -2.28 0.48 0.38 2.52 0.24 -1.17 -4.28 118.33 114.22 1kfx n VAL 828 Ca -0.14 -0.49 -0.04 0.00 -2.04 0.00 0.00 64.34 61.63 1kfx n VAL 828 Cb 0.72 -0.22 0.07 0.00 -1.47 0.00 0.00 33.84 32.95 1kfx n VAL 828 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1kfx n THR 829 N -2.29 1.39 0.00 3.34 -2.24 -1.26 -4.53 114.28 108.69 1kfx n THR 829 Ca -0.13 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1kfx n THR 829 Cb 0.68 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1kfx n THR 829 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1kfx n ARG 830 N 0.07 0.00 -0.98 -0.78 0.63 -1.26 -4.85 116.66 109.49 1kfx n ARG 830 Ca 0.15 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.75 1kfx n ARG 830 Cb 0.75 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.56 1kfx n ARG 830 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1kfx n HIS 831 N 0.00 0.51 -0.38 -0.14 1.44 -1.26 -4.82 115.22 110.57 1kfx n HIS 831 Ca 0.00 0.34 0.35 0.00 -2.01 0.00 0.00 57.72 56.40 1kfx n HIS 831 Cb 0.00 -1.62 0.69 0.00 0.12 0.00 0.00 29.99 29.19 1kfx n HIS 831 CO 0.00 0.00 0.00 -1.35 -2.81 0.00 0.00 176.34 172.18 1kfx h PRO 832 N 7.62 0.10 0.00 -1.40 0.11 -1.92 -2.64 132.00 133.86 1kfx h PRO 832 Ca -0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1kfx h PRO 832 Cb 0.92 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1kfx h PRO 832 CO 0.89 0.06 0.00 -0.25 -0.21 0.00 0.00 178.00 178.50 1kfx n ASP 833 N -4.31 0.00 -3.61 -2.05 9.92 -1.26 -4.08 116.55 111.16 1kfx n ASP 833 Ca 0.29 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.40 1kfx n ASP 833 Cb 1.27 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 41.62 1kfx n ASP 833 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1kfx s LEU 834 N -0.94 -0.26 -0.05 0.64 2.96 -1.00 -5.00 118.68 115.02 1kfx s LEU 834 Ca 0.00 0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 54.23 1kfx s LEU 834 Cb 0.00 0.62 -0.04 0.00 0.50 0.00 0.00 46.19 47.27 1kfx s LEU 834 CO 0.00 -0.26 0.17 -0.75 -1.32 0.00 0.00 176.35 174.19 1kfx s LYS 835 N 2.40 3.45 0.00 1.98 2.20 -1.26 -4.88 119.74 123.63 1kfx s LYS 835 Ca 0.03 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.42 1kfx s LYS 835 Cb -0.13 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1kfx s LYS 835 CO -0.10 0.71 0.00 -2.37 -0.36 0.00 0.00 175.35 173.24 1kfx n THR 836 N 1.36 0.00 0.03 3.43 5.66 -1.26 -4.61 114.28 118.89 1kfx n THR 836 Ca -0.14 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.82 1kfx n THR 836 Cb 0.54 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.22 1kfx n THR 836 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1kfx h ASP 837 N 0.00 0.00 -4.23 1.09 3.32 -1.98 -3.47 116.42 111.15 1kfx h ASP 837 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1kfx h ASP 837 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1kfx h ASP 837 CO 0.00 0.78 0.00 0.61 -1.72 0.00 0.00 179.24 178.91 1kfx n GLY 838 N 1.42 3.32 3.74 2.75 0.00 -1.26 -5.00 105.19 110.17 1kfx n GLY 838 Ca -0.09 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.74 1kfx n GLY 838 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kfx s PHE 839 N -2.05 3.35 0.45 1.61 0.08 -1.26 -4.84 117.98 115.32 1kfx s PHE 839 Ca 0.00 1.36 -0.14 0.00 0.12 0.00 0.00 56.93 58.27 1kfx s PHE 839 Cb 0.00 -3.50 -0.07 0.00 -0.57 0.00 0.00 43.02 38.88 1kfx s PHE 839 CO 0.00 -1.46 0.87 0.20 -0.10 0.00 0.00 175.22 174.73 1kfx s GLY 840 N 0.16 2.04 0.00 4.36 0.00 -1.26 -4.90 107.32 107.71 1kfx s GLY 840 Ca 0.54 0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.26 1kfx s GLY 840 CO 0.38 0.24 0.00 4.51 0.00 0.00 0.00 173.10 178.23 1kfx n ILE 841 N -1.35 0.00 -0.08 0.90 0.13 -1.26 -1.28 119.36 116.42 1kfx n ILE 841 Ca 0.04 0.00 -0.12 0.00 -1.10 0.00 0.00 62.75 61.58 1kfx n ILE 841 Cb 0.54 -0.47 -0.08 0.00 -0.84 0.00 0.00 39.64 38.80 1kfx n ILE 841 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1kfx n ASP 842 N -0.44 2.67 -0.14 9.51 -0.08 -1.26 -4.06 116.55 122.75 1kfx n ASP 842 Ca 0.00 -0.09 -0.03 0.00 -1.51 0.00 0.00 54.79 53.16 1kfx n ASP 842 Cb 0.00 -0.27 0.05 0.00 2.34 0.00 0.00 41.12 43.24 1kfx n ASP 842 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1kfx h THR 843 N -0.01 0.75 -0.38 5.18 2.02 -1.56 -1.26 112.91 117.65 1kfx h THR 843 Ca -0.38 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1kfx h THR 843 Cb 1.58 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 1kfx h THR 843 CO -0.06 0.04 0.23 0.00 0.37 0.00 0.00 175.52 176.09 1kfx h ARG 845 N 0.50 0.00 0.13 0.00 3.08 -1.39 0.46 114.38 117.15 1kfx h ARG 845 Ca 0.14 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.86 1kfx h ARG 845 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1kfx h ARG 845 CO -0.02 0.00 -1.71 0.77 -1.07 0.00 0.00 179.97 177.93 1kfx h SER 846 N 0.00 0.42 -0.50 7.04 0.02 -1.13 -2.54 113.55 116.85 1kfx h SER 846 Ca 0.24 -0.69 0.08 0.00 -0.84 0.00 0.00 61.79 60.58 1kfx h SER 846 Cb 1.11 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 63.45 1kfx h SER 846 CO -0.00 1.59 0.13 0.24 -1.14 0.00 0.00 176.83 177.65 1kfx h MET 847 N 0.07 0.27 -0.27 3.45 2.86 0.03 0.84 114.93 122.18 1kfx h MET 847 Ca -0.32 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.23 1kfx h MET 847 Cb 2.04 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.64 1kfx h MET 847 CO 0.14 0.18 -0.15 0.28 1.06 0.00 0.00 176.91 178.42 1kfx h VAL 848 N 0.27 1.30 0.00 -2.22 2.07 -0.36 -3.06 116.25 114.25 1kfx h VAL 848 Ca 0.25 -1.24 -0.10 0.00 0.82 0.00 0.00 66.70 66.42 1kfx h VAL 848 Cb 0.32 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1kfx h VAL 848 CO -0.30 0.39 -0.50 0.00 0.02 0.00 0.00 177.57 177.18 1kfx h ALA 849 N 0.73 0.98 0.00 1.67 0.00 -1.15 -1.88 119.26 119.61 1kfx h ALA 849 Ca 0.06 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1kfx h ALA 849 Cb 0.66 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1kfx h ALA 849 CO 0.04 0.62 -0.16 0.28 0.00 0.00 0.00 179.25 180.03 1kfx h VAL 850 N 0.00 0.33 -0.01 0.00 2.07 -0.89 -3.11 116.25 114.65 1kfx h VAL 850 Ca -0.00 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.36 1kfx h VAL 850 Cb 1.01 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1kfx h VAL 850 CO 0.06 0.16 -0.54 0.23 0.02 0.00 0.00 177.57 177.51 1kfx n MET 851 N -3.21 1.54 -2.97 1.57 2.81 -1.12 -4.94 117.12 110.80 1kfx n MET 851 Ca 0.02 -0.52 -0.43 0.00 -1.81 0.00 0.00 57.70 54.96 1kfx n MET 851 Cb 0.49 -1.31 -0.05 0.00 -0.71 0.00 0.00 33.22 31.63 1kfx n MET 851 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1kfx s ASP 852 N -2.25 6.42 0.00 7.83 2.15 -0.72 -4.92 116.67 125.17 1kfx s ASP 852 Ca 0.11 -0.08 0.23 0.00 0.43 0.00 0.00 52.55 53.24 1kfx s ASP 852 Cb 0.14 -2.38 0.44 0.00 -0.30 0.00 0.00 42.92 40.81 1kfx s ASP 852 CO 0.54 -0.90 1.40 -1.20 -0.17 0.00 0.00 175.17 174.84 1kfx n SER 853 N 6.69 3.49 0.00 -0.34 7.64 -1.26 -4.29 113.62 125.54 1kfx n SER 853 Ca 0.02 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.92 1kfx n SER 853 Cb 0.48 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 1kfx n SER 853 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1kfx n ASP 854 N 1.47 1.59 -3.74 6.43 10.43 -1.26 -5.06 116.55 126.41 1kfx n ASP 854 Ca 0.19 -1.73 -0.25 0.00 2.57 0.00 0.00 54.79 55.57 1kfx n ASP 854 Cb 0.60 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.56 1kfx n ASP 854 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 177.20 176.54 1kfx n THR 855 N -0.37 -3.63 -0.15 -3.53 -1.04 -1.26 -4.92 114.28 99.38 1kfx n THR 855 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1kfx n THR 855 Cb 0.25 -3.14 0.00 0.00 -1.82 0.00 0.00 70.33 65.62 1kfx n THR 855 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1kfx n THR 856 N -2.32 0.00 -2.64 12.58 -2.24 -1.26 -5.02 114.28 113.38 1kfx n THR 856 Ca -0.29 -0.19 -0.08 0.00 -2.27 0.00 0.00 64.05 61.23 1kfx n THR 856 Cb 0.69 1.15 0.02 0.00 -2.10 0.00 0.00 70.33 70.08 1kfx n THR 856 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfx n GLY 857 N 0.29 0.32 2.99 3.38 0.00 -1.26 -5.04 105.19 105.87 1kfx n GLY 857 Ca 0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 1kfx n GLY 857 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kfx s LYS 858 N -5.10 0.37 -0.28 1.61 -0.14 -1.26 -4.44 119.74 110.51 1kfx s LYS 858 Ca 0.14 -0.49 -0.08 0.00 -1.36 0.00 0.00 55.97 54.17 1kfx s LYS 858 Cb -0.06 -0.17 -0.01 0.00 -1.68 0.00 0.00 37.83 35.91 1kfx s LYS 858 CO 0.17 0.03 0.10 -1.17 -0.76 0.00 0.00 175.35 173.72 1kfx s LEU 859 N -1.02 3.77 0.63 3.17 2.96 -0.67 -4.68 118.68 122.84 1kfx s LEU 859 Ca -0.08 -0.43 -0.17 0.00 -0.22 0.00 0.00 54.13 53.23 1kfx s LEU 859 Cb -0.07 -1.94 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 1kfx s LEU 859 CO -0.00 -0.13 1.18 -0.83 -1.32 0.00 0.00 176.35 175.25 1kfx s GLY 860 N 1.59 2.50 0.43 7.98 0.00 -1.26 -2.60 107.32 115.96 1kfx s GLY 860 Ca 0.05 0.85 0.19 0.00 0.00 0.00 0.00 44.72 45.81 1kfx s GLY 860 CO 0.04 1.24 1.92 -2.75 0.00 0.00 0.00 173.10 173.55 1kfx h PHE 861 N 0.45 0.00 0.02 1.90 3.04 -1.93 0.17 116.94 120.59 1kfx h PHE 861 Ca -0.49 0.00 -0.22 0.00 3.98 0.00 0.00 57.97 61.25 1kfx h PHE 861 Cb 1.28 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.81 1kfx h PHE 861 CO 0.49 0.26 -0.86 0.93 -2.02 0.00 0.00 178.31 177.11 1kfx h GLU 862 N 0.00 0.54 -0.08 1.11 4.39 -1.92 -2.33 114.58 116.30 1kfx h GLU 862 Ca -0.00 -0.61 -0.08 0.00 0.34 0.00 0.00 59.36 59.00 1kfx h GLU 862 Cb 0.53 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1kfx h GLU 862 CO 0.03 1.23 -0.33 0.93 -1.16 0.00 0.00 179.01 179.72 1kfx h GLU 863 N 0.12 0.16 0.74 2.33 4.39 -1.87 -2.69 114.58 117.75 1kfx h GLU 863 Ca -0.11 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 1kfx h GLU 863 Cb 1.55 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.19 1kfx h GLU 863 CO 0.17 0.47 -0.40 0.35 -1.16 0.00 0.00 179.01 178.44 1kfx h PHE 864 N 0.14 -1.06 -0.37 4.33 3.57 -0.59 -2.62 116.94 120.33 1kfx h PHE 864 Ca 0.02 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1kfx h PHE 864 Cb 0.65 0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 1kfx h PHE 864 CO 0.01 -0.63 -0.26 0.87 -2.23 0.00 0.00 178.31 176.07 1kfx h LYS 865 N -1.06 -0.05 -0.78 1.11 1.57 -1.11 0.29 116.57 116.54 1kfx h LYS 865 Ca -0.10 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.78 1kfx h LYS 865 Cb 0.83 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 33.04 1kfx h LYS 865 CO 0.13 -0.03 -0.38 0.98 -0.57 0.00 0.00 179.45 179.58 1kfx n TYR 866 N -3.99 -0.16 0.44 -1.35 9.36 -1.05 -0.33 117.16 120.08 1kfx n TYR 866 Ca 0.00 0.97 -0.17 0.00 3.32 0.00 0.00 57.90 62.02 1kfx n TYR 866 Cb 0.13 -0.68 -0.08 0.00 -0.63 0.00 0.00 39.34 38.08 1kfx n TYR 866 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1kfx h LEU 867 N 0.00 -0.96 -0.98 2.98 5.85 -0.56 -1.91 115.31 119.74 1kfx h LEU 867 Ca 0.20 0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.08 1kfx h LEU 867 Cb 0.40 0.25 -0.14 0.00 0.37 0.00 0.00 40.66 41.53 1kfx h LEU 867 CO -0.76 -0.67 -0.46 1.87 -0.34 0.00 0.00 178.44 178.08 1kfx n TRP 868 N -5.12 -0.16 -0.04 1.25 -0.00 0.80 0.70 117.44 114.86 1kfx n TRP 868 Ca -0.14 1.22 -0.05 0.00 -0.00 0.00 0.00 57.50 58.52 1kfx n TRP 868 Cb 0.45 -0.75 -0.04 0.00 -0.00 0.00 0.00 31.31 30.97 1kfx n TRP 868 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 177.69 176.72 1kfx h ASN 869 N 0.00 -0.68 -0.99 5.87 -1.24 -0.59 0.25 115.58 118.20 1kfx h ASN 869 Ca 0.27 0.09 0.27 0.00 0.71 0.00 0.00 56.30 57.63 1kfx h ASN 869 Cb 0.51 0.28 -0.13 0.00 0.73 0.00 0.00 38.32 39.70 1kfx h ASN 869 CO -0.95 -0.15 0.55 0.78 -1.29 0.00 0.00 177.43 176.36 1kfx h ASN 870 N -0.16 0.56 -0.49 1.15 -0.26 0.12 0.81 115.58 117.31 1kfx h ASN 870 Ca 0.02 0.16 0.08 0.00 -0.56 0.00 0.00 56.30 56.00 1kfx h ASN 870 Cb 0.22 0.09 -0.06 0.00 -1.06 0.00 0.00 38.32 37.51 1kfx h ASN 870 CO -0.21 -0.00 0.13 0.40 -1.06 0.00 0.00 177.43 176.69 1kfx h ILE 871 N 0.46 0.77 -0.25 2.81 2.04 0.35 -0.86 117.51 122.84 1kfx h ILE 871 Ca 0.66 -0.10 -0.09 0.00 1.00 0.00 0.00 64.86 66.34 1kfx h ILE 871 Cb 1.36 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1kfx h ILE 871 CO -0.53 0.05 -0.22 0.11 0.00 0.00 0.00 178.15 177.56 1kfx h LYS 872 N 0.28 0.45 0.00 2.37 1.57 0.27 0.74 116.57 122.25 1kfx h LYS 872 Ca 0.24 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1kfx h LYS 872 Cb 0.30 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1kfx h LYS 872 CO -0.29 0.64 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.13 1kfx h ARG 873 N 0.40 0.00 0.00 3.15 2.43 0.28 -2.37 114.38 118.28 1kfx h ARG 873 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1kfx h ARG 873 Cb 0.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1kfx h ARG 873 CO 0.04 0.02 -1.07 0.91 -1.51 0.00 0.00 179.97 178.35 1kfx n TRP 874 N -3.70 0.00 1.02 2.20 8.01 -0.60 -4.21 117.44 120.16 1kfx n TRP 874 Ca -0.03 0.00 0.01 0.00 -1.31 0.00 0.00 57.50 56.18 1kfx n TRP 874 Cb 0.10 -0.14 0.08 0.00 -2.01 0.00 0.00 31.31 29.34 1kfx n TRP 874 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.69 177.62 1kfx n GLN 875 N -1.61 0.51 0.00 -0.99 7.27 0.25 -3.00 117.38 119.80 1kfx n GLN 875 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1kfx n GLN 875 Cb 0.25 -1.08 0.00 0.00 2.41 0.00 0.00 30.24 31.82 1kfx n GLN 875 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1kfx n ALA 876 N -0.58 0.01 0.00 1.69 0.00 -1.23 -4.19 120.51 116.22 1kfx n ALA 876 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1kfx n ALA 876 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 1kfx n ALA 876 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1kfx n ILE 877 N -0.09 0.00 0.06 0.00 -0.00 -1.19 0.23 119.36 118.37 1kfx n ILE 877 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.64 1kfx n ILE 877 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 39.60 1kfx n ILE 877 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.55 176.77 1kfx h TYR 878 N 0.00 -0.56 -0.28 1.39 5.03 -1.82 -0.89 116.97 119.83 1kfx h TYR 878 Ca 0.00 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.41 1kfx h TYR 878 Cb 0.00 0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.52 1kfx h TYR 878 CO 0.00 -0.30 0.26 -0.22 -1.32 0.00 0.00 178.16 176.58 1kfx h LYS 879 N -0.34 0.00 0.05 1.82 3.64 0.28 0.19 116.57 122.21 1kfx h LYS 879 Ca 0.06 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.19 1kfx h LYS 879 Cb 0.42 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1kfx h LYS 879 CO -0.20 0.00 -1.25 1.96 -2.27 0.00 0.00 179.45 177.69 1kfx h GLN 880 N 0.00 0.10 0.00 1.90 4.20 -0.46 -3.35 115.11 117.49 1kfx h GLN 880 Ca 0.13 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1kfx h GLN 880 Cb 0.66 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.50 1kfx h GLN 880 CO -0.00 0.99 -0.84 1.19 -0.67 0.00 0.00 178.83 179.49 1kfx n PHE 881 N -3.36 0.04 -3.49 2.96 0.99 -0.06 -4.61 117.46 109.93 1kfx n PHE 881 Ca -0.07 0.01 -0.42 0.00 -0.00 0.00 0.00 57.45 56.97 1kfx n PHE 881 Cb 0.99 -0.17 -0.07 0.00 -1.00 0.00 0.00 39.48 39.24 1kfx n PHE 881 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1kfx s ASP 882 N -3.17 5.88 -0.14 4.37 3.68 0.46 -4.59 116.67 123.17 1kfx s ASP 882 Ca 0.08 -2.05 0.16 0.00 2.13 0.00 0.00 52.55 52.88 1kfx s ASP 882 Cb 0.16 -2.06 -0.23 0.00 -1.45 0.00 0.00 42.92 39.34 1kfx s ASP 882 CO 0.80 -0.69 0.13 0.35 0.13 0.00 0.00 175.17 175.89 1kfx n THR 883 N 4.77 0.94 0.24 1.71 -2.24 -1.26 -4.20 114.28 114.24 1kfx n THR 883 Ca -0.06 -0.67 0.15 0.00 -2.27 0.00 0.00 64.05 61.21 1kfx n THR 883 Cb 0.41 -0.41 0.82 0.00 -2.10 0.00 0.00 70.33 69.04 1kfx n THR 883 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1kfx h ASP 884 N 0.00 0.00 0.00 3.42 3.04 -1.94 -3.44 116.42 117.49 1kfx h ASP 884 Ca -0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.42 1kfx h ASP 884 Cb 1.82 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.11 1kfx h ASP 884 CO 0.02 0.00 0.00 -1.14 -2.04 0.00 0.00 179.24 176.08 1kfx n ARG 885 N -2.60 -1.23 0.04 4.15 0.63 -1.26 -4.75 116.66 111.65 1kfx n ARG 885 Ca -0.02 0.29 0.09 0.00 -0.92 0.00 0.00 57.85 57.29 1kfx n ARG 885 Cb 0.11 -4.66 0.37 0.00 0.45 0.00 0.00 32.46 28.74 1kfx n ARG 885 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1kfx n SER 886 N -0.49 0.22 -0.11 6.15 7.64 -1.26 -4.68 113.62 121.08 1kfx n SER 886 Ca 0.00 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1kfx n SER 886 Cb 0.29 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 1kfx n SER 886 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kfx n GLY 887 N 0.05 0.84 0.00 0.23 0.00 -1.26 -5.01 105.19 100.04 1kfx n GLY 887 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1kfx n GLY 887 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kfx n THR 888 N -2.83 0.00 -3.59 2.61 -2.24 -1.26 -3.85 114.28 103.12 1kfx n THR 888 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 1kfx n THR 888 Cb 0.37 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.54 1kfx n THR 888 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1kfx s ILE 889 N 1.14 0.00 0.10 2.28 1.01 -1.24 -4.44 121.20 120.04 1kfx s ILE 889 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 60.65 60.32 1kfx s ILE 889 Cb 0.00 -1.00 -0.13 0.00 0.01 0.00 0.00 42.46 41.34 1kfx s ILE 889 CO 0.00 0.00 1.69 0.00 0.00 0.00 0.00 174.94 176.63 1kfx h SER 891 N 7.12 0.51 -0.62 0.00 0.87 -1.97 0.78 113.55 120.24 1kfx h SER 891 Ca -0.46 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1kfx h SER 891 Cb 1.25 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 1kfx h SER 891 CO 0.91 0.05 0.00 -0.24 -0.53 0.00 0.00 176.83 177.02 1kfx n SER 892 N -4.76 4.45 -0.00 6.23 2.88 -1.26 -3.78 113.62 117.38 1kfx n SER 892 Ca 0.27 -2.36 0.03 0.00 -1.33 0.00 0.00 58.87 55.49 1kfx n SER 892 Cb 0.89 -0.54 -0.04 0.00 -0.75 0.00 0.00 64.21 63.77 1kfx n SER 892 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1kfx n GLU 893 N 1.10 3.45 -0.07 -1.46 1.02 0.23 -4.51 120.64 120.39 1kfx n GLU 893 Ca 0.24 -0.02 -0.07 0.00 -0.02 0.00 0.00 57.16 57.29 1kfx n GLU 893 Cb 0.81 -0.92 -0.00 0.00 -0.02 0.00 0.00 31.44 31.30 1kfx n GLU 893 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1kfx h LEU 894 N 0.00 -0.04 0.00 -4.62 3.38 -0.47 0.53 115.31 114.08 1kfx h LEU 894 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1kfx h LEU 894 Cb 0.21 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1kfx h LEU 894 CO 0.00 0.01 0.00 -2.65 0.09 0.00 0.00 178.44 175.89 1kfx n PRO 895 N -5.12 0.05 -0.04 1.13 -0.02 -1.26 -1.97 135.00 127.77 1kfx n PRO 895 Ca -0.00 0.27 -0.14 0.00 -2.02 0.00 0.00 63.50 61.61 1kfx n PRO 895 Cb 0.14 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.97 1kfx n PRO 895 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1kfx n GLY 896 N -0.92 -0.78 0.09 -1.23 0.00 0.18 -4.00 105.19 98.53 1kfx n GLY 896 Ca 0.02 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.78 1kfx n GLY 896 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kfx h ALA 897 N 0.57 0.43 0.00 4.61 0.00 -0.72 -3.10 119.26 121.05 1kfx h ALA 897 Ca -0.40 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 53.69 1kfx h ALA 897 Cb 2.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1kfx h ALA 897 CO 0.06 1.07 0.00 1.19 0.00 0.00 0.00 179.25 181.57 1kfx n PHE 898 N -3.51 0.30 0.45 0.00 3.01 -1.10 -1.94 117.46 114.67 1kfx n PHE 898 Ca -0.02 0.10 0.11 0.00 1.01 0.00 0.00 57.45 58.64 1kfx n PHE 898 Cb 0.88 -0.66 -0.12 0.00 -0.01 0.00 0.00 39.48 39.57 1kfx n PHE 898 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1kfx n GLU 899 N -1.75 0.36 -0.20 -1.08 2.13 -1.22 -3.20 120.64 115.68 1kfx n GLU 899 Ca 0.05 -0.09 0.08 0.00 0.66 0.00 0.00 57.16 57.86 1kfx n GLU 899 Cb 0.29 -1.53 0.22 0.00 0.27 0.00 0.00 31.44 30.70 1kfx n GLU 899 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1kfx n ALA 900 N -1.92 2.44 -0.32 4.31 0.00 -0.82 -2.58 120.51 121.62 1kfx n ALA 900 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.68 1kfx n ALA 900 Cb 0.46 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1kfx n ALA 900 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kfx n ALA 901 N 0.77 1.69 -2.96 0.00 0.00 -1.03 -4.90 120.51 114.08 1kfx n ALA 901 Ca 0.15 -0.85 -0.08 0.00 0.00 0.00 0.00 53.44 52.66 1kfx n ALA 901 Cb 0.38 -0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.84 1kfx n ALA 901 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kfx n GLY 902 N -0.35 -2.02 3.12 0.00 0.00 -1.07 -5.05 105.19 99.83 1kfx n GLY 902 Ca 0.00 0.69 -0.08 0.00 0.00 0.00 0.00 46.02 46.63 1kfx n GLY 902 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kfx s PHE 903 N -1.75 0.57 0.31 1.61 0.40 -1.19 -5.01 117.98 112.91 1kfx s PHE 903 Ca 0.12 -1.06 0.18 0.00 -0.60 0.00 0.00 56.93 55.57 1kfx s PHE 903 Cb -0.02 -0.37 0.87 0.00 0.51 0.00 0.00 43.02 44.00 1kfx s PHE 903 CO 0.64 -0.44 1.84 0.45 0.70 0.00 0.00 175.22 178.41 1kfx h HIS 904 N 3.02 0.00 -6.04 0.36 3.86 -1.97 -3.46 115.15 110.91 1kfx h HIS 904 Ca -0.34 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.87 1kfx h HIS 904 Cb 1.16 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 1kfx h HIS 904 CO 0.49 0.32 -0.85 1.28 0.86 0.00 0.00 177.93 180.03 1kfx n LEU 905 N -3.78 -4.70 -4.67 2.43 4.77 -1.26 -5.00 117.00 104.80 1kfx n LEU 905 Ca -0.01 0.79 -0.27 0.00 -0.03 0.00 0.00 56.01 56.49 1kfx n LEU 905 Cb 0.41 -1.98 -0.08 0.00 -2.33 0.00 0.00 43.42 39.45 1kfx n LEU 905 CO 0.36 -2.14 -0.33 0.21 -1.33 0.00 0.00 177.39 174.16 1kfx s ASN 906 N -0.91 4.81 0.07 -1.43 3.84 -1.26 -5.01 114.94 115.05 1kfx s ASN 906 Ca -0.02 -0.35 -0.24 0.00 0.21 0.00 0.00 52.86 52.46 1kfx s ASN 906 Cb 0.00 -1.04 -0.10 0.00 -0.55 0.00 0.00 41.25 39.55 1kfx s ASN 906 CO 0.18 0.11 1.38 -0.08 -2.79 0.00 0.00 177.10 175.90 1kfx h GLU 907 N 2.87 -0.50 -0.07 0.43 4.81 -1.99 0.56 114.58 120.68 1kfx h GLU 907 Ca -0.47 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 58.83 1kfx h GLU 907 Cb 1.19 0.11 -0.06 0.00 0.63 0.00 0.00 28.75 30.63 1kfx h GLU 907 CO 0.58 -0.34 -0.32 0.45 -0.73 0.00 0.00 179.01 178.66 1kfx h HIS 908 N -0.52 -0.87 -0.29 0.92 -0.00 -2.01 -2.04 115.15 110.33 1kfx h HIS 908 Ca -0.00 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.47 1kfx h HIS 908 Cb 0.53 0.40 -0.07 0.00 -0.00 0.00 0.00 27.41 28.26 1kfx h HIS 908 CO -0.41 -0.40 -0.18 1.25 -0.00 0.00 0.00 177.93 178.19 1kfx h LEU 909 N -0.43 -0.59 0.00 2.43 5.85 -1.97 -2.90 115.31 117.71 1kfx h LEU 909 Ca 0.08 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1kfx h LEU 909 Cb 0.55 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1kfx h LEU 909 CO -0.31 -0.21 0.00 0.00 -0.34 0.00 0.00 178.44 177.57 1kfx n TYR 910 N -5.34 0.00 -0.21 1.25 9.36 0.18 -0.75 117.16 121.64 1kfx n TYR 910 Ca 0.00 0.00 -0.06 0.00 3.32 0.00 0.00 57.90 61.17 1kfx n TYR 910 Cb 0.26 -0.33 -0.05 0.00 -0.63 0.00 0.00 39.34 38.59 1kfx n TYR 910 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1kfx n ASN 911 N -2.30 -0.54 -0.38 2.98 3.02 -1.05 0.24 115.26 117.22 1kfx n ASN 911 Ca 0.00 0.93 -0.03 0.00 -0.03 0.00 0.00 54.58 55.45 1kfx n ASN 911 Cb 0.00 -0.13 0.01 0.00 -0.61 0.00 0.00 39.78 39.05 1kfx n ASN 911 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1kfx n MET 912 N -4.57 -0.27 0.05 3.52 2.81 0.07 0.15 117.12 118.88 1kfx n MET 912 Ca 0.01 1.51 -0.12 0.00 -1.81 0.00 0.00 57.70 57.29 1kfx n MET 912 Cb 0.13 -2.23 -0.05 0.00 -0.71 0.00 0.00 33.22 30.36 1kfx n MET 912 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1kfx h ILE 913 N 0.00 0.32 -0.95 2.02 1.08 0.39 -1.73 117.51 118.65 1kfx h ILE 913 Ca 0.31 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.88 1kfx h ILE 913 Cb 0.55 0.32 -0.07 0.00 -3.07 0.00 0.00 36.82 34.55 1kfx h ILE 913 CO -0.96 0.00 0.61 0.40 -0.69 0.00 0.00 178.15 177.50 1kfx h ILE 914 N -0.45 0.96 -3.45 -0.67 1.08 0.18 -2.54 117.51 112.61 1kfx h ILE 914 Ca 0.07 -0.33 -0.77 0.00 -0.39 0.00 0.00 64.86 63.44 1kfx h ILE 914 Cb 0.54 -0.08 -0.24 0.00 -3.07 0.00 0.00 36.82 33.97 1kfx h ILE 914 CO -0.27 0.17 0.32 0.00 -0.69 0.00 0.00 178.15 177.69 1kfx s ARG 915 N -5.89 3.66 0.00 2.37 1.70 0.39 -3.23 118.95 117.96 1kfx s ARG 915 Ca -0.11 -2.37 0.00 0.00 -0.47 0.00 0.00 55.73 52.78 1kfx s ARG 915 Cb 0.21 -4.56 0.00 0.00 -0.57 0.00 0.00 34.95 30.03 1kfx s ARG 915 CO 0.80 -1.41 0.00 -2.13 -1.08 0.00 0.00 175.30 171.49 1kfx n ARG 916 N 4.49 0.00 0.00 3.89 3.00 -1.18 -4.70 116.66 122.16 1kfx n ARG 916 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 1kfx n ARG 916 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.93 1kfx n ARG 916 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1kfx n TYR 917 N 0.00 0.00 -3.22 -0.14 4.02 -0.97 -5.09 117.16 111.76 1kfx n TYR 917 Ca 0.00 0.00 -0.23 0.00 -0.01 0.00 0.00 57.90 57.66 1kfx n TYR 917 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1kfx n TYR 917 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1kfx s SER 918 N -0.50 6.11 0.27 7.72 1.04 -1.20 -4.48 113.70 122.66 1kfx s SER 918 Ca 0.00 0.37 -0.10 0.00 0.48 0.00 0.00 55.95 56.70 1kfx s SER 918 Cb 0.00 -1.82 -0.07 0.00 0.10 0.00 0.00 66.02 64.23 1kfx s SER 918 CO 0.00 -0.46 0.61 -1.81 0.98 0.00 0.00 173.24 172.56 1kfx s ASP 919 N -4.11 6.62 0.00 7.02 -0.00 0.50 -4.77 116.67 121.93 1kfx s ASP 919 Ca 0.43 0.98 0.00 0.00 -0.00 0.00 0.00 52.55 53.97 1kfx s ASP 919 Cb -0.10 -2.25 0.00 0.00 -0.00 0.00 0.00 42.92 40.57 1kfx s ASP 919 CO 0.37 -0.14 0.00 1.21 -0.00 0.00 0.00 175.17 176.60 1kfx n GLU 920 N -0.39 0.00 0.23 8.23 2.13 -1.26 0.52 120.64 130.09 1kfx n GLU 920 Ca 0.01 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.96 1kfx n GLU 920 Cb 0.53 0.00 0.27 0.00 0.27 0.00 0.00 31.44 32.51 1kfx n GLU 920 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1kfx h SER 921 N 0.00 0.00 0.00 4.31 0.87 -2.03 -3.47 113.55 113.23 1kfx h SER 921 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1kfx h SER 921 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1kfx h SER 921 CO 0.00 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.91 1kfx n GLY 922 N 0.92 1.98 3.38 5.77 0.00 2.00 -5.04 105.19 114.20 1kfx n GLY 922 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 1kfx n GLY 922 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kfx s ASN 923 N -2.00 3.44 -0.21 1.61 0.01 -1.15 -4.49 114.94 112.15 1kfx s ASN 923 Ca 0.00 -0.39 -0.05 0.00 -0.71 0.00 0.00 52.86 51.71 1kfx s ASN 923 Cb 0.00 -0.52 -0.02 0.00 0.41 0.00 0.00 41.25 41.11 1kfx s ASN 923 CO 0.00 0.32 0.00 -0.32 -1.51 0.00 0.00 177.10 175.59 1kfx s MET 924 N -0.77 3.57 0.88 -0.60 1.75 -1.26 0.19 119.30 123.06 1kfx s MET 924 Ca 0.11 -0.54 -0.13 0.00 -1.25 0.00 0.00 55.69 53.88 1kfx s MET 924 Cb -0.10 -3.10 0.13 0.00 2.84 0.00 0.00 34.83 34.59 1kfx s MET 924 CO 0.00 -0.07 1.20 0.16 -0.65 0.00 0.00 175.02 175.67 1kfx s ASP 925 N 1.21 3.83 0.16 1.11 1.47 -1.26 -3.66 116.67 119.53 1kfx s ASP 925 Ca 0.03 0.69 -0.22 0.00 1.18 0.00 0.00 52.55 54.23 1kfx s ASP 925 Cb -0.15 -1.07 0.05 0.00 -0.34 0.00 0.00 42.92 41.41 1kfx s ASP 925 CO 0.01 -2.32 1.63 0.15 0.68 0.00 0.00 175.17 175.31 1kfx h PHE 926 N -1.35 -0.65 0.00 2.11 3.57 -1.82 -1.22 116.94 117.59 1kfx h PHE 926 Ca -0.46 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.08 1kfx h PHE 926 Cb 1.31 0.33 0.00 0.00 2.79 0.00 0.00 35.95 40.38 1kfx h PHE 926 CO -0.14 -0.32 0.00 -3.47 -2.23 0.00 0.00 178.31 172.15 1kfx n ASP 927 N -5.38 0.00 -0.60 0.41 2.03 -1.26 -1.45 116.55 110.30 1kfx n ASP 927 Ca 0.00 0.09 0.48 0.00 0.52 0.00 0.00 54.79 55.88 1kfx n ASP 927 Cb 0.30 0.00 0.79 0.00 -0.72 0.00 0.00 41.12 41.49 1kfx n ASP 927 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1kfx h ASN 928 N 0.00 0.03 0.66 1.67 2.35 -1.86 0.52 115.58 118.95 1kfx h ASN 928 Ca 0.00 0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.73 1kfx h ASN 928 Cb 0.00 0.01 0.01 0.00 0.05 0.00 0.00 38.32 38.39 1kfx h ASN 928 CO 0.00 -0.02 -0.32 0.15 -1.65 0.00 0.00 177.43 175.59 1kfx h PHE 929 N 0.01 -0.82 -0.33 1.19 3.57 -0.16 0.75 116.94 121.15 1kfx h PHE 929 Ca 0.85 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 62.31 1kfx h PHE 929 Cb 3.32 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 42.31 1kfx h PHE 929 CO -0.00 -0.47 0.14 0.82 -2.23 0.00 0.00 178.31 176.56 1kfx h ILE 930 N -1.07 1.18 -0.62 1.41 1.08 -0.01 -2.35 117.51 117.13 1kfx h ILE 930 Ca -0.09 -0.54 0.16 0.00 -0.39 0.00 0.00 64.86 64.00 1kfx h ILE 930 Cb 0.72 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 35.37 1kfx h ILE 930 CO 0.15 0.19 0.44 -1.28 -0.69 0.00 0.00 178.15 176.96 1kfx h SER 931 N 0.38 0.11 0.64 1.72 0.87 -0.90 -1.96 113.55 114.42 1kfx h SER 931 Ca 0.11 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1kfx h SER 931 Cb 0.17 -0.02 0.01 0.00 -0.44 0.00 0.00 62.40 62.12 1kfx h SER 931 CO -0.01 0.06 -0.31 0.00 -0.53 0.00 0.00 176.83 176.04 1kfx h LEU 933 N -1.23 0.62 0.01 0.00 4.07 -1.17 0.59 115.31 118.20 1kfx h LEU 933 Ca -0.09 0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.99 1kfx h LEU 933 Cb 0.66 0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.42 1kfx h LEU 933 CO 0.14 0.18 -0.03 0.58 -1.08 0.00 0.00 178.44 178.23 1kfx h VAL 934 N 0.62 0.00 -0.61 1.22 2.07 -1.56 0.63 116.25 118.62 1kfx h VAL 934 Ca 0.56 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.21 1kfx h VAL 934 Cb 0.94 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.60 1kfx h VAL 934 CO -0.43 0.00 -0.09 0.03 0.02 0.00 0.00 177.57 177.11 1kfx h ARG 935 N -0.04 0.04 0.27 1.57 3.08 -1.37 0.28 114.38 118.21 1kfx h ARG 935 Ca -0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1kfx h ARG 935 Cb 0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1kfx h ARG 935 CO -0.01 0.03 -0.28 1.25 -1.07 0.00 0.00 179.97 179.89 1kfx h LEU 936 N 0.04 -0.78 -0.99 3.04 5.85 0.56 -2.12 115.31 120.92 1kfx h LEU 936 Ca 0.31 0.06 0.31 0.00 0.84 0.00 0.00 57.88 59.40 1kfx h LEU 936 Cb 0.49 0.26 -0.18 0.00 0.37 0.00 0.00 40.66 41.60 1kfx h LEU 936 CO -0.59 -0.37 0.20 -0.78 -0.34 0.00 0.00 178.44 176.56 1kfx h ASP 937 N -0.55 -0.20 -0.52 1.25 -0.00 0.12 0.22 116.42 116.74 1kfx h ASP 937 Ca -0.03 0.27 0.09 0.00 -0.00 0.00 0.00 57.03 57.35 1kfx h ASP 937 Cb 0.48 0.41 -0.07 0.00 -0.00 0.00 0.00 39.33 40.15 1kfx h ASP 937 CO -0.04 -0.36 0.12 0.00 -0.00 0.00 0.00 179.24 178.96 1kfx h ALA 938 N 1.97 0.60 -0.01 -0.78 0.00 0.18 -1.23 119.26 120.00 1kfx h ALA 938 Ca 0.67 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.57 1kfx h ALA 938 Cb 1.52 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1kfx h ALA 938 CO -0.86 -0.29 -0.53 0.52 0.00 0.00 0.00 179.25 178.09 1kfx h MET 939 N 0.26 0.02 -0.21 0.00 2.86 -0.18 0.85 114.93 118.53 1kfx h MET 939 Ca 0.26 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.82 1kfx h MET 939 Cb 0.34 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1kfx h MET 939 CO -0.32 0.55 -0.17 0.35 1.06 0.00 0.00 176.91 178.38 1kfx h PHE 940 N 0.01 0.38 0.04 -0.22 3.57 -0.51 -1.48 116.94 118.74 1kfx h PHE 940 Ca -0.00 -0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.37 1kfx h PHE 940 Cb 0.95 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.59 1kfx h PHE 940 CO 0.00 0.51 -0.31 0.00 -2.23 0.00 0.00 178.31 176.29 1kfx h ARG 941 N 0.33 0.09 -1.00 1.11 3.08 -0.41 -2.63 114.38 114.94 1kfx h ARG 941 Ca 0.06 -0.16 0.23 0.00 0.07 0.00 0.00 59.98 60.19 1kfx h ARG 941 Cb 0.49 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.50 1kfx h ARG 941 CO 0.03 1.08 0.63 0.00 -1.07 0.00 0.00 179.97 180.64 1kfx h ALA 942 N 0.01 2.03 -0.18 0.04 0.00 0.80 0.69 119.26 122.65 1kfx h ALA 942 Ca -0.06 0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1kfx h ALA 942 Cb 1.21 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1kfx h ALA 942 CO 0.04 -0.42 -0.58 0.35 0.00 0.00 0.00 179.25 178.63 1kfx h PHE 943 N 0.51 0.94 -0.79 0.00 3.04 -1.35 -0.50 116.94 118.79 1kfx h PHE 943 Ca 0.58 -0.38 -0.00 0.00 3.98 0.00 0.00 57.97 62.14 1kfx h PHE 943 Cb 1.26 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 39.58 1kfx h PHE 943 CO -0.00 1.19 0.49 0.87 -2.02 0.00 0.00 178.31 178.83 1kfx h LYS 944 N 0.42 1.07 0.39 1.11 1.79 0.44 -2.13 116.57 119.65 1kfx h LYS 944 Ca -0.02 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 1kfx h LYS 944 Cb 1.21 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1kfx h LYS 944 CO 0.12 0.74 -0.19 0.77 -1.08 0.00 0.00 179.45 179.82 1kfx h SER 945 N 1.09 -0.44 0.00 0.86 0.02 0.25 -3.10 113.55 112.22 1kfx h SER 945 Ca 0.29 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1kfx h SER 945 Cb -0.06 0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1kfx h SER 945 CO -0.06 -0.02 0.15 -0.07 -1.14 0.00 0.00 176.83 175.70 1kfx h LEU 946 N -0.96 0.00 -7.19 5.07 3.38 -0.98 -3.27 115.31 111.36 1kfx h LEU 946 Ca -0.05 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.21 1kfx h LEU 946 Cb 0.54 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.93 1kfx h LEU 946 CO 0.09 0.00 -0.07 -0.67 0.09 0.00 0.00 178.44 177.87 1kfx n ASP 947 N -2.43 4.32 0.20 -0.43 2.03 -0.81 -4.80 116.55 114.62 1kfx n ASP 947 Ca -0.02 -3.18 -0.15 0.00 0.52 0.00 0.00 54.79 51.97 1kfx n ASP 947 Cb 0.19 -1.03 -0.08 0.00 -0.72 0.00 0.00 41.12 39.48 1kfx n ASP 947 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 1kfx h LYS 948 N 5.78 -0.47 0.00 -0.67 2.10 -1.75 -3.36 116.57 118.20 1kfx h LYS 948 Ca 0.17 0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.85 1kfx h LYS 948 Cb 0.78 0.11 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 1kfx h LYS 948 CO 0.89 -0.31 0.00 -0.25 -2.00 0.00 0.00 179.45 177.78 1kfx n ASP 949 N -5.32 0.00 0.00 7.07 10.43 -1.26 -4.98 116.55 122.49 1kfx n ASP 949 Ca -0.10 0.45 0.00 0.00 2.57 0.00 0.00 54.79 57.71 1kfx n ASP 949 Cb 0.23 -0.10 0.00 0.00 1.84 0.00 0.00 41.12 43.09 1kfx n ASP 949 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1kfx n GLY 950 N 0.31 0.00 1.48 0.44 0.00 -1.26 -5.01 105.19 101.16 1kfx n GLY 950 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kfx n GLY 950 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kfx n THR 951 N 0.00 0.83 -1.17 2.61 -2.24 -1.26 -4.73 114.28 108.31 1kfx n THR 951 Ca 0.00 -0.16 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 1kfx n THR 951 Cb 0.00 -1.08 -0.00 0.00 -2.10 0.00 0.00 70.33 67.15 1kfx n THR 951 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kfx n GLY 952 N 1.39 -0.05 3.15 3.38 0.00 -1.26 -4.70 105.19 107.10 1kfx n GLY 952 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 1kfx n GLY 952 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1kfx s GLN 953 N -1.00 0.52 0.82 1.61 0.74 -1.26 -5.16 119.66 115.92 1kfx s GLN 953 Ca 0.04 0.96 -0.10 0.00 0.05 0.00 0.00 55.36 56.31 1kfx s GLN 953 Cb -0.02 0.38 0.13 0.00 1.10 0.00 0.00 33.01 34.59 1kfx s GLN 953 CO 0.05 -0.57 1.15 0.96 -0.55 0.00 0.00 175.29 176.32 1kfx s ILE 954 N 2.79 2.11 -0.23 -2.34 -5.25 -1.26 -4.94 121.20 112.08 1kfx s ILE 954 Ca 0.16 -0.20 -0.12 0.00 -0.99 0.00 0.00 60.65 59.50 1kfx s ILE 954 Cb -0.15 -2.91 0.08 0.00 2.95 0.00 0.00 42.46 42.43 1kfx s ILE 954 CO -0.20 0.00 0.55 -1.58 -1.79 0.00 0.00 174.94 171.92 1kfx s GLN 955 N -5.51 0.53 0.10 0.37 0.74 -1.26 -5.11 119.66 109.52 1kfx s GLN 955 Ca 0.67 1.06 0.06 0.00 0.05 0.00 0.00 55.36 57.20 1kfx s GLN 955 Cb -0.07 0.16 -0.03 0.00 1.10 0.00 0.00 33.01 34.17 1kfx s GLN 955 CO 0.48 -0.17 -0.15 0.14 -0.55 0.00 0.00 175.29 175.05 1kfx s VAL 956 N 1.76 1.28 0.51 1.34 -7.23 -1.26 -5.10 120.40 111.70 1kfx s VAL 956 Ca -0.09 -1.54 -0.02 0.00 -1.81 0.00 0.00 61.98 58.52 1kfx s VAL 956 Cb -0.08 -1.36 0.01 0.00 0.56 0.00 0.00 36.38 35.51 1kfx s VAL 956 CO -0.16 -0.31 0.76 0.54 -0.31 0.00 0.00 175.10 175.62 1kfx s ASN 957 N -2.13 5.66 0.27 4.85 4.22 -1.26 -4.84 114.94 121.71 1kfx s ASN 957 Ca 0.04 0.38 0.00 0.00 -2.14 0.00 0.00 52.86 51.15 1kfx s ASN 957 Cb -0.07 -1.49 0.56 0.00 1.28 0.00 0.00 41.25 41.52 1kfx s ASN 957 CO 0.03 -0.89 1.78 -0.29 -2.04 0.00 0.00 177.10 175.69 1kfx h ILE 958 N 0.16 0.78 -0.41 0.54 -0.00 -2.01 -0.22 117.51 116.35 1kfx h ILE 958 Ca -0.45 -0.25 -0.05 0.00 -0.00 0.00 0.00 64.86 64.11 1kfx h ILE 958 Cb 1.26 -0.02 -0.02 0.00 -0.00 0.00 0.00 36.82 38.05 1kfx h ILE 958 CO 0.58 0.13 0.07 -0.61 -0.00 0.00 0.00 178.15 178.32 1kfx h GLN 959 N 0.73 0.68 -0.58 2.19 4.15 -1.98 0.15 115.11 120.45 1kfx h GLN 959 Ca 0.48 -0.18 0.06 0.00 0.77 0.00 0.00 58.65 59.78 1kfx h GLN 959 Cb 0.64 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.20 1kfx h GLN 959 CO -0.34 0.72 0.28 0.93 -1.93 0.00 0.00 178.83 178.49 1kfx h GLU 960 N 0.53 0.51 0.00 1.69 5.08 -1.56 -1.92 114.58 118.91 1kfx h GLU 960 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1kfx h GLU 960 Cb 0.37 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1kfx h GLU 960 CO 0.01 0.34 0.00 1.87 -1.00 0.00 0.00 179.01 180.22 1kfx n TRP 961 N -4.89 0.00 -0.07 4.33 -0.00 -0.23 -1.90 117.44 114.69 1kfx n TRP 961 Ca 0.07 0.00 0.23 0.00 -0.00 0.00 0.00 57.50 57.79 1kfx n TRP 961 Cb 0.19 -0.30 0.45 0.00 -0.00 0.00 0.00 31.31 31.64 1kfx n TRP 961 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1kfx h LEU 962 N 0.00 0.00 0.18 5.87 3.38 -0.73 0.13 115.31 124.14 1kfx h LEU 962 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1kfx h LEU 962 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1kfx h LEU 962 CO 0.00 0.00 -0.09 1.56 0.09 0.00 0.00 178.44 180.00 1kfx h GLN 963 N 0.00 -0.24 -0.26 1.13 4.20 -1.01 0.69 115.11 119.62 1kfx h GLN 963 Ca 0.36 0.02 0.06 0.00 0.06 0.00 0.00 58.65 59.14 1kfx h GLN 963 Cb 2.40 0.05 -0.08 0.00 0.30 0.00 0.00 27.48 30.15 1kfx h GLN 963 CO -0.00 -0.07 -0.33 -0.07 -0.67 0.00 0.00 178.83 177.68 1kfx h LEU 964 N -1.04 -1.07 -0.40 1.46 3.38 -0.31 0.87 115.31 118.19 1kfx h LEU 964 Ca -0.03 0.17 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 1kfx h LEU 964 Cb 0.28 0.48 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1kfx h LEU 964 CO 0.04 -0.35 0.07 0.71 0.09 0.00 0.00 178.44 179.00 1kfx h THR 965 N -0.33 1.24 -0.01 0.22 1.35 -1.36 -3.29 112.91 110.73 1kfx h THR 965 Ca 0.13 -0.86 -0.15 0.00 -0.55 0.00 0.00 66.41 64.98 1kfx h THR 965 Cb 0.55 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.97 1kfx h THR 965 CO -0.45 0.30 -0.70 0.24 -0.25 0.00 0.00 175.52 174.66 1kfx h MET 966 N 0.51 0.04 -3.26 4.72 2.86 -0.39 -3.37 114.93 116.06 1kfx h MET 966 Ca 0.12 -0.04 -0.79 0.00 -2.06 0.00 0.00 59.70 56.93 1kfx h MET 966 Cb 0.36 0.01 -0.25 0.00 0.06 0.00 0.00 31.60 31.78 1kfx h MET 966 CO 0.01 0.72 0.99 0.98 1.06 0.00 0.00 176.91 180.66 1kfx n TYR 967 N -3.73 3.11 -1.76 -0.22 9.36 0.26 -5.05 117.16 119.13 1kfx n TYR 967 Ca -0.01 -2.92 0.00 0.00 3.32 0.00 0.00 57.90 58.29 1kfx n TYR 967 Cb 0.68 -1.52 0.00 0.00 -0.63 0.00 0.00 39.34 37.87 1kfx n TYR 967 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95