#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lrn n GLU 804 N 0.00 2.41 -2.36 1.97 -0.58 -1.26 -4.79 120.64 116.03 3lrn n GLU 804 Ca 0.00 0.85 -0.34 0.00 -0.42 0.00 0.00 57.16 57.25 3lrn n GLU 804 Cb 0.00 -2.53 -0.01 0.00 -0.57 0.00 0.00 31.44 28.33 3lrn n GLU 804 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3lrn s ASN 805 N 0.00 5.97 0.17 1.62 2.47 -1.26 -4.88 114.94 119.04 3lrn s ASN 805 Ca 0.58 2.05 -0.00 0.00 0.42 0.00 0.00 52.86 55.91 3lrn s ASN 805 Cb -0.53 -2.57 -0.04 0.00 -1.45 0.00 0.00 41.25 36.65 3lrn s ASN 805 CO 0.58 -1.04 0.06 -0.54 -3.72 0.00 0.00 177.10 172.44 3lrn s LYS 806 N -3.31 1.08 -0.09 0.43 1.02 -1.26 -4.33 119.74 113.28 3lrn s LYS 806 Ca 0.70 -1.54 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 3lrn s LYS 806 Cb -0.20 0.07 -0.03 0.00 -0.52 0.00 0.00 37.83 37.15 3lrn s LYS 806 CO 0.25 -0.26 -0.03 0.15 -0.92 0.00 0.00 175.35 174.54 3lrn s LYS 807 N -4.04 2.99 -0.22 1.68 1.02 -0.73 -1.41 119.74 119.03 3lrn s LYS 807 Ca 0.29 -0.47 -0.07 0.00 0.02 0.00 0.00 55.97 55.74 3lrn s LYS 807 Cb 0.07 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.61 3lrn s LYS 807 CO 0.06 0.63 0.04 -0.51 -0.92 0.00 0.00 175.35 174.66 3lrn s LEU 808 N -0.70 3.45 0.12 3.17 1.02 -0.51 -0.47 118.68 124.76 3lrn s LEU 808 Ca 0.11 -0.15 0.10 0.00 0.02 0.00 0.00 54.13 54.22 3lrn s LEU 808 Cb -0.12 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 3lrn s LEU 808 CO 0.02 0.04 -0.24 -0.76 0.02 0.00 0.00 176.35 175.43 3lrn s LEU 809 N 1.15 2.45 0.11 1.79 1.43 -0.23 -1.33 118.68 124.05 3lrn s LEU 809 Ca 0.04 -0.68 -0.33 0.00 -1.03 0.00 0.00 54.13 52.13 3lrn s LEU 809 Cb -0.14 -1.33 -0.12 0.00 0.03 0.00 0.00 46.19 44.63 3lrn s LEU 809 CO 0.03 0.18 1.75 0.00 0.23 0.00 0.00 176.35 178.54 3lrn h ARG 811 N 7.63 0.50 0.00 0.00 9.65 -1.32 -1.87 114.38 128.98 3lrn h ARG 811 Ca -0.46 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.39 3lrn h ARG 811 Cb 1.24 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.70 3lrn h ARG 811 CO 0.93 0.33 -0.00 -0.22 2.80 0.00 0.00 179.97 183.81 3lrn h LYS 812 N 0.52 -0.00 0.00 0.20 3.64 -1.87 -3.42 116.57 115.64 3lrn h LYS 812 Ca 0.60 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.97 3lrn h LYS 812 Cb 1.29 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3lrn h LYS 812 CO -0.36 0.04 -1.58 0.00 -2.27 0.00 0.00 179.45 175.28 3lrn n LYS 814 N -2.46 0.00 -1.55 0.00 4.76 -0.70 -4.97 118.16 113.23 3lrn n LYS 814 Ca -0.03 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.05 3lrn n LYS 814 Cb 0.58 -1.72 0.08 0.00 -1.84 0.00 0.00 35.03 32.14 3lrn n LYS 814 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3lrn n ALA 815 N -0.07 0.63 -2.60 7.82 0.00 -1.26 -4.48 120.51 120.56 3lrn n ALA 815 Ca 0.00 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 3lrn n ALA 815 Cb 0.00 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.17 3lrn n ALA 815 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3lrn s LEU 816 N -4.13 4.31 -0.22 0.00 2.96 -1.26 -1.99 118.68 118.33 3lrn s LEU 816 Ca 0.79 1.71 -0.16 0.00 -0.22 0.00 0.00 54.13 56.25 3lrn s LEU 816 Cb -0.36 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.67 3lrn s LEU 816 CO 0.44 -0.44 -0.35 0.00 -1.32 0.00 0.00 176.35 174.69 3lrn n ALA 817 N 4.60 1.09 -3.62 5.97 0.00 -0.44 -4.97 120.51 123.15 3lrn n ALA 817 Ca 0.09 -0.95 0.04 0.00 0.00 0.00 0.00 53.44 52.62 3lrn n ALA 817 Cb 0.48 0.09 0.02 0.00 0.00 0.00 0.00 19.45 20.04 3lrn n ALA 817 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lrn s TYR 819 N -3.50 2.09 0.65 0.00 1.51 -1.26 -1.43 117.35 115.40 3lrn s TYR 819 Ca 0.15 -0.39 0.23 0.00 -1.01 0.00 0.00 57.07 56.04 3lrn s TYR 819 Cb -0.03 -1.27 1.20 0.00 -0.11 0.00 0.00 41.96 41.75 3lrn s TYR 819 CO 0.06 0.08 1.67 1.79 -1.11 0.00 0.00 175.55 178.04 3lrn h THR 820 N 4.34 0.07 -0.88 -0.71 1.35 -1.61 0.21 112.91 115.68 3lrn h THR 820 Ca -0.44 0.00 0.11 0.00 -0.55 0.00 0.00 66.41 65.53 3lrn h THR 820 Cb 1.15 0.46 -0.08 0.00 -1.73 0.00 0.00 68.15 67.95 3lrn h THR 820 CO 0.44 0.00 0.50 0.00 -0.25 0.00 0.00 175.52 176.22 3lrn h ALA 821 N 1.01 1.29 -0.29 6.62 0.00 -1.94 0.89 119.26 126.84 3lrn h ALA 821 Ca 0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3lrn h ALA 821 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3lrn h ALA 821 CO -0.00 0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.08 3lrn n ASP 822 N -4.74 1.61 -4.85 0.00 8.00 0.73 -4.91 116.55 112.39 3lrn n ASP 822 Ca 0.16 -1.98 -0.34 0.00 0.71 0.00 0.00 54.79 53.34 3lrn n ASP 822 Cb 0.33 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.18 3lrn n ASP 822 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3lrn s VAL 823 N -1.61 4.86 0.06 2.53 1.01 0.30 -0.61 120.40 126.94 3lrn s VAL 823 Ca 0.21 0.74 0.03 0.00 0.00 0.00 0.00 61.98 62.96 3lrn s VAL 823 Cb 0.11 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3lrn s VAL 823 CO 0.15 0.13 -0.09 -0.13 0.00 0.00 0.00 175.10 175.16 3lrn s ARG 824 N -2.25 0.64 0.01 2.72 1.81 0.15 -4.52 118.95 117.51 3lrn s ARG 824 Ca 0.41 -0.91 0.06 0.00 -1.72 0.00 0.00 55.73 53.58 3lrn s ARG 824 Cb -0.14 -0.36 -0.03 0.00 -0.45 0.00 0.00 34.95 33.97 3lrn s ARG 824 CO 0.20 0.06 -0.17 0.08 -0.68 0.00 0.00 175.30 174.78 3lrn s VAL 825 N -1.81 2.85 -0.14 3.52 1.01 -0.03 -0.97 120.40 124.83 3lrn s VAL 825 Ca -0.04 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.92 3lrn s VAL 825 Cb -0.07 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.16 3lrn s VAL 825 CO -0.00 0.42 -0.18 -0.63 0.00 0.00 0.00 175.10 174.71 3lrn s ILE 826 N -0.86 1.82 -1.40 2.22 1.01 0.44 0.21 121.20 124.64 3lrn s ILE 826 Ca 0.14 -0.81 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 3lrn s ILE 826 Cb -0.11 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.73 3lrn s ILE 826 CO 0.04 0.50 0.27 -0.62 0.00 0.00 0.00 174.94 175.13 3lrn n GLU 827 N 4.40 -3.08 -1.39 2.79 1.02 -1.26 -1.63 120.64 121.48 3lrn n GLU 827 Ca -0.19 0.75 -0.14 0.00 -0.02 0.00 0.00 57.16 57.56 3lrn n GLU 827 Cb 0.51 -5.46 -0.06 0.00 -0.02 0.00 0.00 31.44 26.41 3lrn n GLU 827 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3lrn n GLU 828 N -3.38 -1.60 0.00 3.49 1.02 -1.26 -4.67 120.64 114.24 3lrn n GLU 828 Ca -0.13 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 3lrn n GLU 828 Cb 0.62 -5.37 0.00 0.00 -0.02 0.00 0.00 31.44 26.66 3lrn n GLU 828 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3lrn n SER 829 N -1.19 0.00 -4.44 1.62 3.41 -0.95 -5.04 113.62 107.03 3lrn n SER 829 Ca -0.14 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.13 3lrn n SER 829 Cb 0.61 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.43 3lrn n SER 829 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3lrn s HIS 830 N 0.00 2.99 -0.09 7.33 3.76 -0.65 -4.94 115.29 123.70 3lrn s HIS 830 Ca 0.00 -0.49 -0.00 0.00 -0.15 0.00 0.00 55.06 54.42 3lrn s HIS 830 Cb 0.00 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.66 3lrn s HIS 830 CO 0.00 -0.20 -0.06 0.71 -0.85 0.00 0.00 174.74 174.34 3lrn s TYR 831 N 0.72 2.96 0.23 1.40 1.51 -1.26 0.17 117.35 123.08 3lrn s TYR 831 Ca -0.02 -0.04 0.01 0.00 -1.01 0.00 0.00 57.07 56.02 3lrn s TYR 831 Cb -0.14 -1.76 -0.05 0.00 -0.11 0.00 0.00 41.96 39.90 3lrn s TYR 831 CO 0.02 0.26 0.06 -0.08 -1.11 0.00 0.00 175.55 174.71 3lrn s THR 832 N -0.59 0.61 -0.07 -0.71 -1.32 -0.14 -0.82 115.64 112.60 3lrn s THR 832 Ca 0.09 -1.99 0.05 0.00 -1.21 0.00 0.00 61.69 58.63 3lrn s THR 832 Cb -0.12 -2.45 -0.01 0.00 -1.51 0.00 0.00 72.50 68.42 3lrn s THR 832 CO 0.02 -0.18 -0.24 -0.69 -2.21 0.00 0.00 174.62 171.32 3lrn s VAL 833 N -3.72 2.00 0.46 5.08 1.01 -1.26 -0.67 120.40 123.30 3lrn s VAL 833 Ca 0.33 -1.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 3lrn s VAL 833 Cb 0.07 -1.70 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 3lrn s VAL 833 CO 0.10 0.55 0.86 -0.76 0.00 0.00 0.00 175.10 175.86 3lrn s LEU 834 N -0.02 3.71 0.00 3.92 1.43 0.22 -4.87 118.68 123.07 3lrn s LEU 834 Ca -0.07 1.29 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 3lrn s LEU 834 Cb -0.15 -4.21 0.00 0.00 0.03 0.00 0.00 46.19 41.86 3lrn s LEU 834 CO 0.05 -0.50 0.00 0.61 0.23 0.00 0.00 176.35 176.74 3lrn n GLY 835 N -1.53 -1.48 0.28 -3.19 0.00 -1.26 -4.44 105.19 93.57 3lrn n GLY 835 Ca 0.04 -1.35 0.10 0.00 0.00 0.00 0.00 46.02 44.81 3lrn n GLY 835 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3lrn h ASP 836 N 0.00 0.00 -0.51 1.61 3.32 -2.00 -2.15 116.42 116.68 3lrn h ASP 836 Ca 0.00 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.14 3lrn h ASP 836 Cb 0.00 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 3lrn h ASP 836 CO 0.00 0.00 0.08 0.00 -1.72 0.00 0.00 179.24 177.60 3lrn h ALA 837 N 1.96 0.56 -0.04 3.45 0.00 -2.00 0.13 119.26 123.33 3lrn h ALA 837 Ca 0.03 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3lrn h ALA 837 Cb 0.13 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3lrn h ALA 837 CO -0.00 -0.33 -0.24 0.35 0.00 0.00 0.00 179.25 179.04 3lrn h PHE 838 N 0.21 0.08 0.05 0.00 3.57 -1.60 -2.88 116.94 116.36 3lrn h PHE 838 Ca 0.26 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.76 3lrn h PHE 838 Cb 0.37 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3lrn h PHE 838 CO -0.25 0.31 -0.11 0.87 -2.23 0.00 0.00 178.31 176.90 3lrn h LYS 839 N 0.07 -0.20 0.00 1.11 1.57 -0.75 -1.45 116.57 116.92 3lrn h LYS 839 Ca 0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3lrn h LYS 839 Cb 0.46 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3lrn h LYS 839 CO 0.03 -0.14 0.03 0.39 -0.57 0.00 0.00 179.45 179.19 3lrn n GLU 840 N -5.23 0.11 0.10 3.15 -0.58 -0.83 -2.18 120.64 115.17 3lrn n GLU 840 Ca -0.06 0.60 0.12 0.00 -0.42 0.00 0.00 57.16 57.40 3lrn n GLU 840 Cb 0.16 -1.88 0.27 0.00 -0.57 0.00 0.00 31.44 29.42 3lrn n GLU 840 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3lrn s PHE 842 N -3.15 1.07 0.01 0.00 -0.71 -0.93 -0.43 117.98 113.84 3lrn s PHE 842 Ca 0.08 -1.29 0.03 0.00 -1.04 0.00 0.00 56.93 54.72 3lrn s PHE 842 Cb 0.12 -0.56 -0.01 0.00 -1.21 0.00 0.00 43.02 41.35 3lrn s PHE 842 CO 0.66 -0.54 -0.11 0.14 -1.34 0.00 0.00 175.22 174.03 3lrn s VAL 843 N -4.06 0.85 0.40 -2.49 -7.23 -0.38 -4.73 120.40 102.77 3lrn s VAL 843 Ca 0.32 -0.66 0.08 0.00 -1.81 0.00 0.00 61.98 59.91 3lrn s VAL 843 Cb 0.07 -0.75 -0.01 0.00 0.56 0.00 0.00 36.38 36.25 3lrn s VAL 843 CO 0.07 0.09 0.45 -0.94 -0.31 0.00 0.00 175.10 174.47 3lrn s SER 844 N -0.64 5.38 -0.29 4.85 1.04 -1.26 -0.44 113.70 122.34 3lrn s SER 844 Ca 0.02 -0.55 -0.13 0.00 0.48 0.00 0.00 55.95 55.77 3lrn s SER 844 Cb -0.06 -0.71 0.13 0.00 0.10 0.00 0.00 66.02 65.49 3lrn s SER 844 CO 0.00 -0.64 0.80 -0.13 0.98 0.00 0.00 173.24 174.25 3lrn s ARG 845 N -4.20 0.50 0.00 4.02 0.52 0.11 -4.95 118.95 114.94 3lrn s ARG 845 Ca 0.50 1.11 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 3lrn s ARG 845 Cb -0.07 0.51 0.00 0.00 0.52 0.00 0.00 34.95 35.92 3lrn s ARG 845 CO 0.30 -0.15 0.00 -2.30 0.02 0.00 0.00 175.30 173.17 3lrn n PRO 846 N 4.88 0.00 -2.65 3.54 -0.02 -1.26 -2.16 135.00 137.32 3lrn n PRO 846 Ca -0.14 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 60.92 3lrn n PRO 846 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.99 3lrn n PRO 846 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3lrn s HIS 847 N 0.00 3.42 0.66 6.00 2.46 -0.23 -4.62 115.29 122.97 3lrn s HIS 847 Ca 0.00 1.50 0.37 0.00 0.47 0.00 0.00 55.06 57.40 3lrn s HIS 847 Cb 0.00 -3.24 2.01 0.00 -0.13 0.00 0.00 32.58 31.22 3lrn s HIS 847 CO 0.00 -0.45 2.15 -1.00 -2.47 0.00 0.00 174.74 172.97 3lrn h PRO 848 N 7.25 0.00 -1.06 2.88 0.13 -1.89 -3.19 132.00 136.12 3lrn h PRO 848 Ca -0.28 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.47 3lrn h PRO 848 Cb 1.13 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.98 3lrn h PRO 848 CO 0.89 0.00 -0.84 0.36 -0.23 0.00 0.00 178.00 178.18 3lrn n LYS 849 N -3.08 0.92 -0.87 0.86 2.85 -1.26 -5.13 118.16 112.45 3lrn n LYS 849 Ca -0.02 -2.65 -0.35 0.00 -1.05 0.00 0.00 58.31 54.24 3lrn n LYS 849 Cb 0.23 -1.37 0.09 0.00 -0.65 0.00 0.00 35.03 33.33 3lrn n LYS 849 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 3lrn n PRO 850 N 0.68 -0.44 -3.51 -1.58 -0.04 -1.21 -5.01 135.00 123.89 3lrn n PRO 850 Ca 0.16 -0.11 -0.09 0.00 -0.04 0.00 0.00 63.50 63.42 3lrn n PRO 850 Cb 0.65 -1.38 -0.02 0.00 -0.04 0.00 0.00 33.50 32.71 3lrn n PRO 850 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3lrn s LYS 851 N -2.74 0.80 -0.17 0.54 1.02 -1.03 -4.98 119.74 113.17 3lrn s LYS 851 Ca 0.47 -0.23 0.01 0.00 0.02 0.00 0.00 55.97 56.23 3lrn s LYS 851 Cb -0.11 0.37 0.01 0.00 -0.52 0.00 0.00 37.83 37.58 3lrn s LYS 851 CO 0.71 -0.34 -0.18 -1.14 -0.92 0.00 0.00 175.35 173.49 3lrn s GLN 852 N -2.83 3.09 -0.03 1.68 0.74 -1.26 0.90 119.66 121.95 3lrn s GLN 852 Ca 0.04 -0.79 -0.08 0.00 0.05 0.00 0.00 55.36 54.58 3lrn s GLN 852 Cb -0.01 -2.60 0.01 0.00 1.10 0.00 0.00 33.01 31.51 3lrn s GLN 852 CO -0.07 -0.11 0.18 -0.59 -0.55 0.00 0.00 175.29 174.14 3lrn s PHE 853 N 1.09 -0.09 0.00 1.67 -0.71 -0.83 -5.01 117.98 114.11 3lrn s PHE 853 Ca -0.00 0.18 0.00 0.00 -1.04 0.00 0.00 56.93 56.07 3lrn s PHE 853 Cb -0.14 0.02 0.00 0.00 -1.21 0.00 0.00 43.02 41.68 3lrn s PHE 853 CO -0.06 -0.22 0.00 0.43 -1.34 0.00 0.00 175.22 174.02 3lrn n SER 854 N 2.06 0.00 -1.03 1.98 7.64 -1.26 -0.86 113.62 122.15 3lrn n SER 854 Ca -0.18 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.80 3lrn n SER 854 Cb 0.57 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 64.03 3lrn n SER 854 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3lrn n SER 855 N 4.19 3.03 -4.61 6.43 7.64 -1.26 -4.98 113.62 124.06 3lrn n SER 855 Ca 0.00 -1.95 -0.24 0.00 1.01 0.00 0.00 58.87 57.70 3lrn n SER 855 Cb 0.00 -0.29 -0.08 0.00 -1.01 0.00 0.00 64.21 62.83 3lrn n SER 855 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3lrn s PHE 856 N -1.43 2.57 -0.32 1.43 0.08 -0.04 -4.27 117.98 116.00 3lrn s PHE 856 Ca 0.38 -0.31 0.01 0.00 0.12 0.00 0.00 56.93 57.13 3lrn s PHE 856 Cb 0.21 -1.25 0.08 0.00 -0.57 0.00 0.00 43.02 41.49 3lrn s PHE 856 CO 0.29 0.59 0.02 -2.00 -0.10 0.00 0.00 175.22 174.01 3lrn s GLU 857 N -3.66 2.05 -0.32 0.44 2.12 -0.86 -1.97 118.70 116.50 3lrn s GLU 857 Ca 0.32 -1.55 -0.29 0.00 0.36 0.00 0.00 54.97 53.82 3lrn s GLU 857 Cb -0.04 -3.17 -0.02 0.00 0.26 0.00 0.00 34.13 31.16 3lrn s GLU 857 CO 0.19 -0.77 1.70 0.21 -0.54 0.00 0.00 175.26 176.05 3lrn s LYS 858 N 1.10 3.48 -0.13 4.30 2.20 0.26 -1.84 119.74 129.10 3lrn s LYS 858 Ca 0.00 1.40 0.05 0.00 -0.36 0.00 0.00 55.97 57.06 3lrn s LYS 858 Cb -0.20 -4.13 -0.11 0.00 -1.51 0.00 0.00 37.83 31.87 3lrn s LYS 858 CO -0.05 -1.68 -0.06 0.54 -0.36 0.00 0.00 175.35 173.75 3lrn n ARG 859 N 8.21 1.12 -4.24 4.03 1.74 -0.81 -2.47 116.66 124.24 3lrn n ARG 859 Ca 0.21 0.05 -0.14 0.00 -0.77 0.00 0.00 57.85 57.20 3lrn n ARG 859 Cb 0.47 -1.29 -0.10 0.00 -1.02 0.00 0.00 32.46 30.52 3lrn n ARG 859 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3lrn s ALA 860 N -2.28 1.38 -0.15 7.54 0.00 0.08 -1.07 121.76 127.25 3lrn s ALA 860 Ca -0.14 -1.53 -0.03 0.00 0.00 0.00 0.00 51.96 50.26 3lrn s ALA 860 Cb 0.04 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.43 3lrn s ALA 860 CO 0.39 -0.22 -0.05 0.21 0.00 0.00 0.00 175.76 176.09 3lrn s LYS 861 N -3.83 3.63 0.20 0.00 2.47 -0.92 -0.09 119.74 121.19 3lrn s LYS 861 Ca 0.20 -0.54 0.06 0.00 -1.56 0.00 0.00 55.97 54.12 3lrn s LYS 861 Cb 0.05 -2.89 -0.04 0.00 -1.46 0.00 0.00 37.83 33.49 3lrn s LYS 861 CO 0.02 0.22 0.17 0.96 0.16 0.00 0.00 175.35 176.88 3lrn s ILE 862 N 0.40 4.53 0.02 5.43 -4.36 0.16 -0.72 121.20 126.66 3lrn s ILE 862 Ca -0.05 -1.18 -0.07 0.00 -0.26 0.00 0.00 60.65 59.10 3lrn s ILE 862 Cb -0.14 -3.36 -0.00 0.00 1.25 0.00 0.00 42.46 40.20 3lrn s ILE 862 CO 0.03 -0.20 0.13 -0.36 0.24 0.00 0.00 174.94 174.78 3lrn s PHE 863 N -1.89 0.10 -0.09 1.37 0.40 0.41 -0.88 117.98 117.40 3lrn s PHE 863 Ca 0.32 -0.28 -0.36 0.00 -0.60 0.00 0.00 56.93 56.00 3lrn s PHE 863 Cb -0.09 -0.08 -0.14 0.00 0.51 0.00 0.00 43.02 43.22 3lrn s PHE 863 CO 0.24 -0.33 1.72 0.00 0.70 0.00 0.00 175.22 177.55 3lrn n ALA 865 N 5.17 2.45 -2.88 0.00 0.00 0.43 -3.57 120.51 122.12 3lrn n ALA 865 Ca 0.22 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 3lrn n ALA 865 Cb 0.22 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.62 3lrn n ALA 865 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3lrn s ARG 866 N -0.50 3.31 0.00 0.00 0.52 -1.26 -4.92 118.95 116.11 3lrn s ARG 866 Ca 0.00 -0.44 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 3lrn s ARG 866 Cb 0.00 -2.99 0.00 0.00 0.52 0.00 0.00 34.95 32.48 3lrn s ARG 866 CO 0.00 0.63 0.00 0.94 0.02 0.00 0.00 175.30 176.89 3lrn n GLN 867 N 0.65 0.00 -1.29 3.54 7.27 -1.26 -2.35 117.38 123.94 3lrn n GLN 867 Ca -0.09 0.00 -0.26 0.00 0.07 0.00 0.00 57.00 56.73 3lrn n GLN 867 Cb 0.52 0.00 0.13 0.00 2.41 0.00 0.00 30.24 33.29 3lrn n GLN 867 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 3lrn n ASN 868 N -0.11 5.30 -0.00 1.69 3.02 -1.26 -4.62 115.26 119.27 3lrn n ASN 868 Ca 0.00 -3.73 -0.03 0.00 -0.03 0.00 0.00 54.58 50.79 3lrn n ASN 868 Cb 0.00 -0.81 -0.01 0.00 -0.61 0.00 0.00 39.78 38.35 3lrn n ASN 868 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3lrn n SER 870 N -3.67 -0.41 -4.73 0.00 7.64 -1.22 -4.87 113.62 106.36 3lrn n SER 870 Ca -0.05 -1.24 -0.41 0.00 1.01 0.00 0.00 58.87 58.18 3lrn n SER 870 Cb 0.17 -1.56 -0.03 0.00 -1.01 0.00 0.00 64.21 61.78 3lrn n SER 870 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3lrn s HIS 871 N -3.79 3.47 -0.15 1.43 2.46 -1.26 -4.66 115.29 112.79 3lrn s HIS 871 Ca 0.41 1.41 -0.29 0.00 0.47 0.00 0.00 55.06 57.06 3lrn s HIS 871 Cb -0.24 -3.39 -0.05 0.00 -0.13 0.00 0.00 32.58 28.77 3lrn s HIS 871 CO 0.99 -1.10 1.90 0.34 -2.47 0.00 0.00 174.74 174.40 3lrn s ASP 872 N 0.47 6.11 0.00 9.88 3.68 -1.26 -0.36 116.67 135.18 3lrn s ASP 872 Ca 0.55 1.99 0.22 0.00 2.13 0.00 0.00 52.55 57.44 3lrn s ASP 872 Cb -0.31 -2.52 0.01 0.00 -1.45 0.00 0.00 42.92 38.65 3lrn s ASP 872 CO 0.33 -1.42 1.07 0.79 0.13 0.00 0.00 175.17 176.07 3lrn n TRP 873 N 9.22 0.00 0.00 -5.34 7.02 -0.05 -4.79 117.44 123.50 3lrn n TRP 873 Ca 0.22 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.70 3lrn n TRP 873 Cb 0.44 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 29.26 3lrn n TRP 873 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3lrn n GLY 874 N 1.49 0.40 3.55 6.99 0.00 -1.17 -3.00 105.19 113.45 3lrn n GLY 874 Ca 0.05 -1.38 -0.27 0.00 0.00 0.00 0.00 46.02 44.42 3lrn n GLY 874 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3lrn s ILE 875 N -3.09 0.68 -0.02 -0.61 -4.36 -0.74 0.40 121.20 113.47 3lrn s ILE 875 Ca 0.00 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 3lrn s ILE 875 Cb 0.00 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.40 3lrn s ILE 875 CO 0.00 0.00 -0.04 -2.28 0.24 0.00 0.00 174.94 172.86 3lrn s HIS 876 N -3.15 0.46 0.18 1.37 2.46 0.87 -1.25 115.29 116.22 3lrn s HIS 876 Ca 0.21 -0.08 -0.02 0.00 0.47 0.00 0.00 55.06 55.63 3lrn s HIS 876 Cb 0.02 -0.37 -0.04 0.00 -0.13 0.00 0.00 32.58 32.07 3lrn s HIS 876 CO 0.13 -0.07 0.14 0.14 -2.47 0.00 0.00 174.74 172.62 3lrn s VAL 877 N 0.32 0.03 -0.23 0.89 -7.23 -0.15 -0.74 120.40 113.29 3lrn s VAL 877 Ca -0.03 -1.91 -0.10 0.00 -1.81 0.00 0.00 61.98 58.13 3lrn s VAL 877 Cb -0.07 -2.34 -0.05 0.00 0.56 0.00 0.00 36.38 34.48 3lrn s VAL 877 CO -0.00 -0.13 0.15 -0.75 -0.31 0.00 0.00 175.10 174.06 3lrn s LYS 878 N -4.11 4.11 -0.18 4.82 2.20 -0.77 -0.96 119.74 124.85 3lrn s LYS 878 Ca 0.33 -0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.69 3lrn s LYS 878 Cb 0.06 -3.50 0.04 0.00 -1.51 0.00 0.00 37.83 32.93 3lrn s LYS 878 CO 0.09 0.14 -0.07 -0.47 -0.36 0.00 0.00 175.35 174.67 3lrn s TYR 879 N 0.83 1.99 0.00 4.03 5.04 0.20 -2.03 117.35 127.40 3lrn s TYR 879 Ca 0.08 -1.29 0.00 0.00 -2.44 0.00 0.00 57.07 53.42 3lrn s TYR 879 Cb -0.13 -1.45 0.00 0.00 0.35 0.00 0.00 41.96 40.74 3lrn s TYR 879 CO 0.02 -0.67 0.00 1.63 -1.34 0.00 0.00 175.55 175.20 3lrn n LYS 880 N 4.80 0.00 -0.12 4.97 5.02 -1.26 -0.09 118.16 131.48 3lrn n LYS 880 Ca -0.13 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.24 3lrn n LYS 880 Cb 0.47 0.00 0.14 0.00 -0.02 0.00 0.00 35.03 35.62 3lrn n LYS 880 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3lrn n THR 881 N 0.00 0.43 -3.90 -0.18 -2.24 -1.26 -4.99 114.28 102.14 3lrn n THR 881 Ca 0.00 -0.71 -0.31 0.00 -2.27 0.00 0.00 64.05 60.75 3lrn n THR 881 Cb 0.00 0.99 -0.04 0.00 -2.10 0.00 0.00 70.33 69.18 3lrn n THR 881 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3lrn s PHE 882 N -1.24 3.52 -0.16 4.78 0.08 0.86 -5.09 117.98 120.73 3lrn s PHE 882 Ca 0.27 0.29 -0.03 0.00 0.12 0.00 0.00 56.93 57.58 3lrn s PHE 882 Cb 0.16 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.80 3lrn s PHE 882 CO 0.22 0.58 -0.07 -1.21 -0.10 0.00 0.00 175.22 174.65 3lrn s GLU 883 N -2.46 3.52 0.10 0.44 2.02 -1.26 0.58 118.70 121.64 3lrn s GLU 883 Ca 0.35 -0.60 -0.13 0.00 0.02 0.00 0.00 54.97 54.61 3lrn s GLU 883 Cb -0.13 -2.85 0.02 0.00 0.10 0.00 0.00 34.13 31.27 3lrn s GLU 883 CO 0.27 0.13 0.31 0.96 0.02 0.00 0.00 175.26 176.95 3lrn s ILE 884 N 0.62 0.10 0.16 -1.63 -4.36 -0.13 -4.96 121.20 111.00 3lrn s ILE 884 Ca -0.04 -0.82 -0.23 0.00 -0.26 0.00 0.00 60.65 59.30 3lrn s ILE 884 Cb -0.15 -1.20 -0.08 0.00 1.25 0.00 0.00 42.46 42.29 3lrn s ILE 884 CO 0.03 -0.45 0.73 -2.16 0.24 0.00 0.00 174.94 173.33 3lrn s PRO 885 N -3.63 4.45 -0.20 0.37 0.04 -1.26 -0.98 135.00 133.80 3lrn s PRO 885 Ca 0.02 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.11 3lrn s PRO 885 Cb 0.03 -3.19 0.05 0.00 0.04 0.00 0.00 34.50 31.42 3lrn s PRO 885 CO -0.10 0.55 -0.07 0.08 0.04 0.00 0.00 177.00 177.50 3lrn s VAL 886 N -1.21 1.39 0.25 -0.36 1.01 -0.38 -4.16 120.40 116.94 3lrn s VAL 886 Ca 0.36 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.47 3lrn s VAL 886 Cb -0.21 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 3lrn s VAL 886 CO 0.24 0.07 0.37 0.27 0.00 0.00 0.00 175.10 176.05 3lrn s ILE 887 N 1.49 5.15 -0.23 2.22 -4.36 0.00 -1.79 121.20 123.69 3lrn s ILE 887 Ca -0.02 -0.99 -0.01 0.00 -0.26 0.00 0.00 60.65 59.37 3lrn s ILE 887 Cb -0.17 -3.82 0.03 0.00 1.25 0.00 0.00 42.46 39.75 3lrn s ILE 887 CO -0.07 -0.32 -0.10 -1.59 0.24 0.00 0.00 174.94 173.10 3lrn s LYS 888 N -4.00 2.82 0.58 0.37 -2.85 -1.16 -4.38 119.74 111.13 3lrn s LYS 888 Ca 0.35 -0.97 0.31 0.00 -1.00 0.00 0.00 55.97 54.66 3lrn s LYS 888 Cb -0.09 -2.88 1.36 0.00 -2.06 0.00 0.00 37.83 34.16 3lrn s LYS 888 CO 0.29 -0.37 1.70 0.97 0.10 0.00 0.00 175.35 178.04 3lrn h ILE 889 N 6.15 0.25 0.00 3.79 6.09 -1.90 -0.34 117.51 131.55 3lrn h ILE 889 Ca -0.34 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.13 3lrn h ILE 889 Cb 1.11 0.37 -0.00 0.00 0.47 0.00 0.00 36.82 38.77 3lrn h ILE 889 CO 0.58 0.00 -0.08 -0.08 -3.07 0.00 0.00 178.15 175.50 3lrn h GLU 890 N 0.00 0.00 -0.10 2.19 4.81 -1.73 -2.49 114.58 117.26 3lrn h GLU 890 Ca 0.41 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 3lrn h GLU 890 Cb 2.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.42 3lrn h GLU 890 CO -0.00 0.08 0.00 0.43 -0.73 0.00 0.00 179.01 178.79 3lrn n SER 891 N -4.34 0.63 -4.26 1.04 7.64 -0.14 -4.88 113.62 109.31 3lrn n SER 891 Ca -0.03 -1.84 -0.21 0.00 1.01 0.00 0.00 58.87 57.81 3lrn n SER 891 Cb 0.16 -0.07 -0.10 0.00 -1.01 0.00 0.00 64.21 63.20 3lrn n SER 891 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3lrn s PHE 892 N -1.87 1.75 -0.08 1.43 0.08 -0.94 -1.07 117.98 117.29 3lrn s PHE 892 Ca 0.15 -1.16 0.04 0.00 0.12 0.00 0.00 56.93 56.08 3lrn s PHE 892 Cb 0.08 -1.08 0.00 0.00 -0.57 0.00 0.00 43.02 41.45 3lrn s PHE 892 CO 0.11 -0.24 -0.19 0.08 -0.10 0.00 0.00 175.22 174.88 3lrn s VAL 893 N -3.45 1.64 -0.15 -0.44 1.01 0.39 -4.46 120.40 114.95 3lrn s VAL 893 Ca 0.34 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 61.32 3lrn s VAL 893 Cb 0.06 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 3lrn s VAL 893 CO 0.15 0.47 0.61 -0.69 0.00 0.00 0.00 175.10 175.64 3lrn s VAL 894 N 0.39 5.07 -0.17 2.92 1.01 -0.43 -1.06 120.40 128.12 3lrn s VAL 894 Ca -0.15 1.19 0.01 0.00 0.00 0.00 0.00 61.98 63.03 3lrn s VAL 894 Cb -0.16 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.29 3lrn s VAL 894 CO 0.06 0.20 -0.17 -0.70 0.00 0.00 0.00 175.10 174.48 3lrn s GLU 895 N 1.34 3.10 0.10 2.72 2.12 0.38 -0.52 118.70 127.94 3lrn s GLU 895 Ca 0.30 -0.79 -0.30 0.00 0.36 0.00 0.00 54.97 54.54 3lrn s GLU 895 Cb -0.16 -2.60 -0.06 0.00 0.26 0.00 0.00 34.13 31.56 3lrn s GLU 895 CO 0.12 -0.10 1.17 0.34 -0.54 0.00 0.00 175.26 176.25 3lrn s ASP 896 N 1.07 7.12 0.18 -1.70 -1.08 0.75 -1.77 116.67 121.25 3lrn s ASP 896 Ca -0.00 2.05 -0.08 0.00 -0.52 0.00 0.00 52.55 54.00 3lrn s ASP 896 Cb -0.14 -2.59 0.08 0.00 -1.46 0.00 0.00 42.92 38.81 3lrn s ASP 896 CO -0.06 -0.40 1.58 0.40 0.52 0.00 0.00 175.17 177.21 3lrn h ILE 897 N 4.26 1.27 -0.00 4.11 2.04 -1.89 0.16 117.51 127.45 3lrn h ILE 897 Ca -0.43 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.08 3lrn h ILE 897 Cb 1.21 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.44 3lrn h ILE 897 CO 0.78 0.47 -0.17 0.00 0.00 0.00 0.00 178.15 179.23 3lrn n ALA 898 N -2.51 2.87 0.00 1.87 0.00 -1.26 -4.23 120.51 117.24 3lrn n ALA 898 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3lrn n ALA 898 Cb 0.45 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3lrn n ALA 898 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3lrn n THR 899 N -1.03 0.00 0.00 0.00 -2.24 -1.21 -5.01 114.28 104.79 3lrn n THR 899 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3lrn n THR 899 Cb 0.30 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3lrn n THR 899 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lrn n GLY 900 N 1.45 2.65 3.48 3.38 0.00 0.56 -5.00 105.19 111.71 3lrn n GLY 900 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3lrn n GLY 900 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3lrn n VAL 901 N -2.00 1.86 -4.26 1.61 0.31 -1.25 -4.49 118.33 110.10 3lrn n VAL 901 Ca 0.00 -0.50 -0.18 0.00 -0.01 0.00 0.00 64.34 63.65 3lrn n VAL 901 Cb 0.00 -0.59 -0.11 0.00 -0.91 0.00 0.00 33.84 32.23 3lrn n VAL 901 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3lrn s GLN 902 N -1.54 1.08 -0.05 5.55 -0.21 -1.26 -0.18 119.66 123.05 3lrn s GLN 902 Ca 0.63 -1.29 -0.06 0.00 0.02 0.00 0.00 55.36 54.65 3lrn s GLN 902 Cb -0.65 -0.96 0.01 0.00 1.00 0.00 0.00 33.01 32.41 3lrn s GLN 902 CO 0.58 0.18 0.17 0.99 -2.12 0.00 0.00 175.29 175.09 3lrn s THR 903 N -2.22 0.02 -0.30 -0.19 2.01 0.33 -4.96 115.64 110.32 3lrn s THR 903 Ca 0.11 -0.15 -0.06 0.00 0.31 0.00 0.00 61.69 61.90 3lrn s THR 903 Cb -0.04 -0.29 0.02 0.00 0.01 0.00 0.00 72.50 72.19 3lrn s THR 903 CO 0.04 -0.08 0.07 -0.76 -0.69 0.00 0.00 174.62 173.19 3lrn s LEU 904 N -0.23 3.91 0.10 4.42 1.43 -1.26 -1.31 118.68 125.74 3lrn s LEU 904 Ca -0.03 -0.88 0.03 0.00 -1.03 0.00 0.00 54.13 52.22 3lrn s LEU 904 Cb -0.03 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 3lrn s LEU 904 CO 0.01 -0.23 0.11 -0.31 0.23 0.00 0.00 176.35 176.16 3lrn s TYR 905 N 1.44 3.21 -0.09 0.29 2.02 -1.26 -5.01 117.35 117.95 3lrn s TYR 905 Ca 0.01 0.06 0.06 0.00 -0.37 0.00 0.00 57.07 56.83 3lrn s TYR 905 Cb -0.18 -1.60 -0.09 0.00 -0.40 0.00 0.00 41.96 39.68 3lrn s TYR 905 CO 0.02 0.53 0.00 0.45 -1.57 0.00 0.00 175.55 174.97 3lrn n SER 906 N 0.19 3.02 -4.22 2.29 2.88 -1.26 -3.62 113.62 112.90 3lrn n SER 906 Ca -0.08 -0.01 -0.26 0.00 -1.33 0.00 0.00 58.87 57.19 3lrn n SER 906 Cb 0.52 0.51 -0.15 0.00 -0.75 0.00 0.00 64.21 64.35 3lrn n SER 906 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3lrn s LYS 907 N -2.20 1.52 0.19 -1.46 1.02 -1.26 -4.22 119.74 113.33 3lrn s LYS 907 Ca -0.06 -0.78 -0.11 0.00 0.02 0.00 0.00 55.97 55.03 3lrn s LYS 907 Cb 0.03 -1.52 0.12 0.00 -0.52 0.00 0.00 37.83 35.94 3lrn s LYS 907 CO 0.32 0.41 1.83 -1.49 -0.92 0.00 0.00 175.35 175.50 3lrn h TRP 908 N 5.38 0.90 -1.61 3.18 4.06 -1.94 -2.89 115.95 123.03 3lrn h TRP 908 Ca -0.40 -0.00 0.47 0.00 2.06 0.00 0.00 58.89 61.02 3lrn h TRP 908 Cb 1.15 -0.29 -0.07 0.00 -1.00 0.00 0.00 29.16 28.94 3lrn h TRP 908 CO 0.43 0.61 1.15 1.57 -3.56 0.00 0.00 178.44 178.64 3lrn h LYS 909 N 0.92 0.01 0.00 0.49 2.10 -1.97 -0.82 116.57 117.31 3lrn h LYS 909 Ca 0.24 -0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.87 3lrn h LYS 909 Cb -0.02 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.30 3lrn h LYS 909 CO -0.05 0.01 -0.38 -0.44 -2.00 0.00 0.00 179.45 176.59 3lrn h ASP 910 N 0.01 0.00 -3.29 7.07 3.32 -1.95 -3.42 116.42 118.17 3lrn h ASP 910 Ca 0.78 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 57.14 3lrn h ASP 910 Cb 3.07 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 42.44 3lrn h ASP 910 CO -0.05 0.08 0.02 0.12 -1.72 0.00 0.00 179.24 177.69 3lrn s PHE 911 N -3.21 3.07 -0.54 4.55 5.36 -0.31 -5.01 117.98 121.89 3lrn s PHE 911 Ca 0.04 -0.53 -0.16 0.00 -0.96 0.00 0.00 56.93 55.32 3lrn s PHE 911 Cb 0.07 -3.47 0.12 0.00 -0.34 0.00 0.00 43.02 39.39 3lrn s PHE 911 CO 0.72 -0.99 0.52 -1.01 -1.46 0.00 0.00 175.22 172.99 3lrn s HIS 912 N 2.55 3.21 0.32 10.12 3.76 -1.26 -4.98 115.29 129.01 3lrn s HIS 912 Ca 0.15 -1.20 0.05 0.00 -0.15 0.00 0.00 55.06 53.90 3lrn s HIS 912 Cb -0.19 -3.76 -0.02 0.00 1.11 0.00 0.00 32.58 29.72 3lrn s HIS 912 CO 0.12 -1.03 0.18 1.97 -0.85 0.00 0.00 174.74 175.12 3lrn n PHE 913 N 5.40 -0.24 -2.43 1.40 -1.74 -1.26 -5.02 117.46 113.57 3lrn n PHE 913 Ca -0.13 -2.29 -0.43 0.00 -0.56 0.00 0.00 57.45 54.04 3lrn n PHE 913 Cb 0.41 0.11 -0.02 0.00 1.52 0.00 0.00 39.48 41.49 3lrn n PHE 913 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 3lrn s GLU 914 N -3.24 3.54 -0.69 3.97 2.12 -1.26 -4.95 118.70 118.18 3lrn s GLU 914 Ca 0.25 0.70 -0.18 0.00 0.36 0.00 0.00 54.97 56.10 3lrn s GLU 914 Cb 0.01 -4.02 0.13 0.00 0.26 0.00 0.00 34.13 30.51 3lrn s GLU 914 CO 0.18 -1.62 0.78 0.15 -0.54 0.00 0.00 175.26 174.20 3lrn s LYS 915 N 4.97 3.24 -0.16 4.30 1.02 -1.26 -4.98 119.74 126.86 3lrn s LYS 915 Ca 0.55 -1.62 -0.26 0.00 0.02 0.00 0.00 55.97 54.66 3lrn s LYS 915 Cb -0.11 -4.41 -0.01 0.00 -0.52 0.00 0.00 37.83 32.78 3lrn s LYS 915 CO 0.30 -1.53 0.85 0.42 -0.92 0.00 0.00 175.35 174.48 3lrn s ILE 916 N 2.18 4.87 0.52 2.17 1.01 -1.26 -4.87 121.20 125.81 3lrn s ILE 916 Ca 0.16 1.68 -0.22 0.00 0.00 0.00 0.00 60.65 62.27 3lrn s ILE 916 Cb -0.19 -4.16 -0.06 0.00 0.01 0.00 0.00 42.46 38.06 3lrn s ILE 916 CO 0.01 0.02 1.25 -2.65 0.00 0.00 0.00 174.94 173.57 3lrn n PRO 917 N 5.21 1.59 -1.67 2.79 -0.02 -1.26 -0.85 135.00 140.80 3lrn n PRO 917 Ca 0.05 0.58 -0.38 0.00 -2.02 0.00 0.00 63.50 61.73 3lrn n PRO 917 Cb 0.49 -2.43 0.05 0.00 -0.02 0.00 0.00 33.50 31.59 3lrn n PRO 917 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3lrn n PHE 918 N -0.94 1.39 -3.78 6.00 7.35 0.56 -4.56 117.46 123.49 3lrn n PHE 918 Ca 0.10 0.44 -0.16 0.00 -0.76 0.00 0.00 57.45 57.08 3lrn n PHE 918 Cb 0.44 -2.22 -0.16 0.00 0.35 0.00 0.00 39.48 37.88 3lrn n PHE 918 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3lrn s ASP 919 N -1.16 0.17 0.06 -2.13 -1.08 -1.26 -4.96 116.67 106.32 3lrn s ASP 919 Ca 0.75 0.04 -0.35 0.00 -0.52 0.00 0.00 52.55 52.47 3lrn s ASP 919 Cb -0.42 -0.09 -0.20 0.00 -1.46 0.00 0.00 42.92 40.75 3lrn s ASP 919 CO 0.47 -0.14 1.59 -0.65 0.52 0.00 0.00 175.17 176.96 3lrn h PRO 920 N 7.37 -1.06 -0.94 4.34 0.11 -1.95 -3.21 132.00 136.67 3lrn h PRO 920 Ca -0.43 0.07 0.12 0.00 0.11 0.00 0.00 66.00 65.87 3lrn h PRO 920 Cb 1.12 0.24 -0.13 0.00 0.11 0.00 0.00 31.00 32.34 3lrn h PRO 920 CO 0.46 -0.71 -0.45 0.00 -0.21 0.00 0.00 178.00 177.09 3lrn n ALA 921 N -2.57 -0.33 -0.34 -0.75 0.00 -1.26 0.68 120.51 115.93 3lrn n ALA 921 Ca -0.15 0.87 0.23 0.00 0.00 0.00 0.00 53.44 54.39 3lrn n ALA 921 Cb 0.44 -0.29 0.48 0.00 0.00 0.00 0.00 19.45 20.08 3lrn n ALA 921 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3lrn h GLU 922 N 0.00 0.40 -0.01 0.00 5.08 -1.99 -3.57 114.58 114.49 3lrn h GLU 922 Ca 0.25 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3lrn h GLU 922 Cb 0.48 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3lrn h GLU 922 CO -0.91 0.27 0.00 -1.33 -1.00 0.00 0.00 179.01 176.04