#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkl n PHE 804 N 0.00 1.38 -4.49 7.33 7.35 -1.26 -5.01 117.46 122.76 1gkl n PHE 804 Ca 0.00 0.73 -0.23 0.00 -0.76 0.00 0.00 57.45 57.19 1gkl n PHE 804 Cb 0.00 -2.29 -0.16 0.00 0.35 0.00 0.00 39.48 37.38 1gkl n PHE 804 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1gkl s LYS 805 N 0.72 1.35 0.35 -4.13 -0.14 -1.26 -4.42 119.74 112.20 1gkl s LYS 805 Ca 0.88 -0.35 -0.28 0.00 -1.36 0.00 0.00 55.97 54.85 1gkl s LYS 805 Cb -1.04 -1.18 -0.11 0.00 -1.68 0.00 0.00 37.83 33.82 1gkl s LYS 805 CO 0.51 0.06 1.42 0.71 -0.76 0.00 0.00 175.35 177.30 1gkl s TYR 806 N 0.48 2.79 0.16 3.18 2.02 -0.10 -5.04 117.35 120.85 1gkl s TYR 806 Ca -0.09 1.24 0.06 0.00 -0.37 0.00 0.00 57.07 57.91 1gkl s TYR 806 Cb -0.13 -3.88 -0.04 0.00 -0.40 0.00 0.00 41.96 37.51 1gkl s TYR 806 CO 0.02 -2.56 0.05 -1.21 -1.57 0.00 0.00 175.55 170.28 1gkl s GLU 807 N -1.84 2.60 0.32 -0.62 2.02 -1.26 -4.97 118.70 114.94 1gkl s GLU 807 Ca 0.52 -1.00 0.21 0.00 0.02 0.00 0.00 54.97 54.72 1gkl s GLU 807 Cb -0.44 -2.48 0.17 0.00 0.10 0.00 0.00 34.13 31.48 1gkl s GLU 807 CO 0.58 0.47 1.37 0.66 0.02 0.00 0.00 175.26 178.36 1gkl h SER 808 N 2.67 0.00 -1.66 -0.19 4.64 -1.96 -2.73 113.55 114.32 1gkl h SER 808 Ca -0.47 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.38 1gkl h SER 808 Cb 1.20 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.94 1gkl h SER 808 CO 0.60 0.12 -1.04 0.00 -0.87 0.00 0.00 176.83 175.64 1gkl n ALA 809 N -2.16 1.64 -1.72 5.18 0.00 -1.26 -1.68 120.51 120.51 1gkl n ALA 809 Ca 0.02 -3.06 -0.42 0.00 0.00 0.00 0.00 53.44 49.97 1gkl n ALA 809 Cb 0.59 -0.94 -0.00 0.00 0.00 0.00 0.00 19.45 19.10 1gkl n ALA 809 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1gkl n VAL 810 N 0.87 2.07 -4.06 0.00 3.14 -1.26 -4.99 118.33 114.11 1gkl n VAL 810 Ca 0.20 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.83 1gkl n VAL 810 Cb 0.61 -1.66 -0.05 0.00 -1.06 0.00 0.00 33.84 31.68 1gkl n VAL 810 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1gkl s GLN 811 N -1.97 3.01 0.23 1.45 -1.52 -1.26 -4.95 119.66 114.65 1gkl s GLN 811 Ca 0.56 -0.83 -0.31 0.00 -1.95 0.00 0.00 55.36 52.82 1gkl s GLN 811 Cb -0.54 -2.70 -0.11 0.00 -0.22 0.00 0.00 33.01 29.43 1gkl s GLN 811 CO 0.62 0.48 1.65 -0.47 -0.25 0.00 0.00 175.29 177.33 1gkl s TYR 812 N -1.78 2.88 -0.17 0.91 5.04 -1.26 -5.00 117.35 117.96 1gkl s TYR 812 Ca 0.32 0.55 -0.05 0.00 -2.44 0.00 0.00 57.07 55.45 1gkl s TYR 812 Cb -0.10 -4.08 0.08 0.00 0.35 0.00 0.00 41.96 38.21 1gkl s TYR 812 CO 0.25 -3.90 0.33 0.50 -1.34 0.00 0.00 175.55 171.38 1gkl s ARG 813 N 0.53 0.23 0.64 4.97 3.52 -1.26 -5.03 118.95 122.56 1gkl s ARG 813 Ca 0.70 0.78 -0.17 0.00 -0.13 0.00 0.00 55.73 56.91 1gkl s ARG 813 Cb -0.48 -0.04 -0.01 0.00 -1.56 0.00 0.00 34.95 32.86 1gkl s ARG 813 CO 0.38 -0.34 1.16 -1.25 -0.81 0.00 0.00 175.30 174.43 1gkl s PRO 814 N 2.50 2.79 0.60 5.12 0.04 -1.26 -4.73 135.00 140.05 1gkl s PRO 814 Ca 0.02 1.62 -0.19 0.00 0.04 0.00 0.00 61.00 62.49 1gkl s PRO 814 Cb -0.13 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1gkl s PRO 814 CO -0.11 -1.30 1.27 0.00 0.04 0.00 0.00 177.00 176.90 1gkl s ALA 815 N -1.97 2.56 0.61 8.56 0.00 -1.26 -4.95 121.76 125.31 1gkl s ALA 815 Ca 0.72 1.15 -0.18 0.00 0.00 0.00 0.00 51.96 53.66 1gkl s ALA 815 Cb -0.26 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 1gkl s ALA 815 CO 0.38 -1.34 0.89 -2.30 0.00 0.00 0.00 175.76 173.38 1gkl n PRO 816 N -1.53 0.78 -0.18 0.00 -0.02 -1.26 -4.85 135.00 127.94 1gkl n PRO 816 Ca 0.13 0.31 0.16 0.00 -2.02 0.00 0.00 63.50 62.08 1gkl n PRO 816 Cb 0.48 -2.10 0.51 0.00 -0.02 0.00 0.00 33.50 32.37 1gkl n PRO 816 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1gkl h ASP 817 N 0.34 0.39 0.16 2.55 3.32 -2.03 0.32 116.42 121.47 1gkl h ASP 817 Ca -0.48 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.59 1gkl h ASP 817 Cb 1.37 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 1gkl h ASP 817 CO 0.50 0.19 -0.03 0.77 -1.72 0.00 0.00 179.24 178.95 1gkl h SER 818 N 0.41 0.00 0.82 6.45 4.64 -1.97 -1.66 113.55 122.24 1gkl h SER 818 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1gkl h SER 818 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1gkl h SER 818 CO -0.13 0.03 0.00 -1.22 -0.87 0.00 0.00 176.83 174.64 1gkl n TYR 819 N -3.53 0.56 1.24 4.77 4.02 0.10 -2.54 117.16 121.78 1gkl n TYR 819 Ca -0.02 0.20 0.13 0.00 -0.01 0.00 0.00 57.90 58.20 1gkl n TYR 819 Cb 0.13 -0.83 0.50 0.00 -0.02 0.00 0.00 39.34 39.12 1gkl n TYR 819 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1gkl n LEU 820 N -1.99 0.50 -4.94 7.72 4.77 -0.62 -2.71 117.00 119.72 1gkl n LEU 820 Ca 0.03 0.03 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 1gkl n LEU 820 Cb 0.26 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 1gkl n LEU 820 CO 0.21 0.10 -0.08 0.20 -1.33 0.00 0.00 177.39 176.48 1gkl s ASN 821 N -2.66 6.25 0.35 -1.43 0.01 -1.05 -4.92 114.94 111.49 1gkl s ASN 821 Ca 0.22 0.10 -0.28 0.00 -0.71 0.00 0.00 52.86 52.20 1gkl s ASN 821 Cb 0.19 -1.84 -0.12 0.00 0.41 0.00 0.00 41.25 39.89 1gkl s ASN 821 CO 0.54 0.00 1.27 -2.65 -1.51 0.00 0.00 177.10 174.75 1gkl n PRO 822 N -0.89 2.06 -3.94 -0.60 -0.02 -1.26 -4.85 135.00 125.51 1gkl n PRO 822 Ca -0.08 0.72 -0.36 0.00 -2.02 0.00 0.00 63.50 61.76 1gkl n PRO 822 Cb 0.55 -2.31 -0.07 0.00 -0.02 0.00 0.00 33.50 31.65 1gkl n PRO 822 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gkl h PRO 824 N 5.32 0.00 -3.21 0.00 0.11 -1.98 -3.22 132.00 129.01 1gkl h PRO 824 Ca -0.52 0.00 -0.77 0.00 0.11 0.00 0.00 66.00 64.83 1gkl h PRO 824 Cb 1.21 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.14 1gkl h PRO 824 CO 0.60 0.06 1.81 1.04 -0.21 0.00 0.00 178.00 181.31 1gkl n GLN 825 N -4.07 3.99 -3.03 1.05 6.02 -1.26 -4.98 117.38 115.10 1gkl n GLN 825 Ca -0.03 -3.75 -0.40 0.00 -0.01 0.00 0.00 57.00 52.81 1gkl n GLN 825 Cb 0.15 -2.79 -0.05 0.00 1.02 0.00 0.00 30.24 28.58 1gkl n GLN 825 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gkl s ALA 826 N -0.62 3.42 0.60 -1.58 0.00 -1.22 -4.61 121.76 117.74 1gkl s ALA 826 Ca 0.40 0.03 -0.18 0.00 0.00 0.00 0.00 51.96 52.21 1gkl s ALA 826 Cb 0.10 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.17 1gkl s ALA 826 CO 0.01 -0.32 1.15 0.20 0.00 0.00 0.00 175.76 176.80 1gkl s GLY 827 N 0.96 2.52 0.09 0.00 0.00 -1.26 -4.53 107.32 105.09 1gkl s GLY 827 Ca 0.36 0.80 -0.27 0.00 0.00 0.00 0.00 44.72 45.61 1gkl s GLY 827 CO 0.15 1.16 0.84 -1.60 0.00 0.00 0.00 173.10 173.65 1gkl s ARG 828 N -3.54 4.59 -0.22 2.90 3.52 -0.81 -4.83 118.95 120.55 1gkl s ARG 828 Ca 0.72 1.22 -0.04 0.00 -0.13 0.00 0.00 55.73 57.50 1gkl s ARG 828 Cb -0.25 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 29.78 1gkl s ARG 828 CO 0.33 0.30 -0.02 0.42 -0.81 0.00 0.00 175.30 175.52 1gkl s ILE 829 N -0.19 3.56 -0.20 4.11 1.01 -1.26 -0.58 121.20 127.64 1gkl s ILE 829 Ca 0.41 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.60 1gkl s ILE 829 Cb -0.22 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 1gkl s ILE 829 CO 0.26 0.41 -0.04 -0.69 0.00 0.00 0.00 174.94 174.88 1gkl s VAL 830 N 1.48 3.50 -0.19 2.92 1.01 0.31 -4.93 120.40 124.50 1gkl s VAL 830 Ca 0.06 -0.46 -0.27 0.00 0.00 0.00 0.00 61.98 61.30 1gkl s VAL 830 Cb -0.14 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.66 1gkl s VAL 830 CO -0.02 0.44 0.93 -0.75 0.00 0.00 0.00 175.10 175.70 1gkl s LYS 831 N 1.19 4.29 0.17 2.72 2.47 -1.26 -0.77 119.74 128.55 1gkl s LYS 831 Ca 0.02 1.18 0.10 0.00 -1.56 0.00 0.00 55.97 55.72 1gkl s LYS 831 Cb -0.14 -3.60 -0.04 0.00 -1.46 0.00 0.00 37.83 32.58 1gkl s LYS 831 CO -0.01 -0.46 -0.17 -1.21 0.16 0.00 0.00 175.35 173.66 1gkl s GLU 832 N 2.60 1.78 -0.03 4.03 0.41 0.04 -5.00 118.70 122.54 1gkl s GLU 832 Ca 0.41 -1.33 0.02 0.00 -0.41 0.00 0.00 54.97 53.66 1gkl s GLU 832 Cb -0.16 -2.03 0.01 0.00 -1.78 0.00 0.00 34.13 30.16 1gkl s GLU 832 CO 0.10 0.44 -0.09 0.99 -0.49 0.00 0.00 175.26 176.21 1gkl s THR 833 N -1.52 0.80 0.16 3.63 2.01 -1.26 -1.52 115.64 117.93 1gkl s THR 833 Ca 0.21 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 61.81 1gkl s THR 833 Cb -0.09 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.67 1gkl s THR 833 CO 0.12 0.26 0.20 -0.72 -0.69 0.00 0.00 174.62 173.78 1gkl s TYR 834 N 0.30 0.66 -0.07 4.92 1.13 0.17 -4.99 117.35 119.47 1gkl s TYR 834 Ca -0.05 -1.01 0.04 0.00 -1.41 0.00 0.00 57.07 54.64 1gkl s TYR 834 Cb -0.10 -0.26 -0.00 0.00 -1.10 0.00 0.00 41.96 40.50 1gkl s TYR 834 CO 0.01 -0.66 -0.21 0.95 -2.51 0.00 0.00 175.55 173.13 1gkl s THR 835 N -4.03 1.81 0.00 -3.49 -4.23 -1.26 -0.92 115.64 103.53 1gkl s THR 835 Ca 0.23 -0.90 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1gkl s THR 835 Cb 0.05 -1.56 0.00 0.00 1.34 0.00 0.00 72.50 72.33 1gkl s THR 835 CO 0.03 0.51 0.00 0.61 -0.54 0.00 0.00 174.62 175.23 1gkl n GLY 836 N 3.36 4.97 0.19 3.99 0.00 -0.48 -4.96 105.19 112.25 1gkl n GLY 836 Ca -0.19 -1.29 0.14 0.00 0.00 0.00 0.00 46.02 44.68 1gkl n GLY 836 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1gkl h ILE 837 N 0.00 0.00 -0.32 -0.61 3.07 -1.96 -1.05 117.51 116.63 1gkl h ILE 837 Ca 0.00 -0.19 -0.05 0.00 1.55 0.00 0.00 64.86 66.17 1gkl h ILE 837 Cb 0.00 0.92 -0.03 0.00 -0.27 0.00 0.00 36.82 37.44 1gkl h ILE 837 CO 0.00 0.00 0.01 0.59 -1.05 0.00 0.00 178.15 177.70 1gkl n ASN 838 N -2.48 3.78 0.00 2.16 3.02 -1.26 -4.82 115.26 115.67 1gkl n ASN 838 Ca 0.00 -3.15 0.00 0.00 -0.03 0.00 0.00 54.58 51.40 1gkl n ASN 838 Cb 0.17 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 1gkl n ASN 838 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gkl n GLY 839 N -0.56 -1.80 3.69 7.41 0.00 -0.40 -3.40 105.19 110.12 1gkl n GLY 839 Ca 0.25 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 1gkl n GLY 839 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gkl s THR 840 N 0.00 4.85 0.16 2.61 2.01 -1.26 -1.38 115.64 122.62 1gkl s THR 840 Ca 0.00 1.85 -0.04 0.00 0.31 0.00 0.00 61.69 63.81 1gkl s THR 840 Cb 0.00 -4.23 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 1gkl s THR 840 CO 0.00 0.04 0.17 -0.54 -0.69 0.00 0.00 174.62 173.61 1gkl s LYS 841 N 1.89 1.09 0.30 4.92 1.02 -0.09 -4.97 119.74 123.88 1gkl s LYS 841 Ca 0.44 -1.37 0.08 0.00 0.02 0.00 0.00 55.97 55.14 1gkl s LYS 841 Cb -0.18 0.31 -0.06 0.00 -0.52 0.00 0.00 37.83 37.38 1gkl s LYS 841 CO 0.17 -0.36 -0.08 -1.12 -0.92 0.00 0.00 175.35 173.03 1gkl s SER 842 N -3.04 3.11 0.24 2.83 0.01 -1.26 -0.66 113.70 114.93 1gkl s SER 842 Ca 0.24 -1.18 -0.14 0.00 1.31 0.00 0.00 55.95 56.18 1gkl s SER 842 Cb 0.05 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1gkl s SER 842 CO 0.03 -0.27 0.50 -1.48 0.41 0.00 0.00 173.24 172.44 1gkl s LEU 843 N -3.49 0.25 0.01 2.44 0.05 -0.58 -4.31 118.68 113.05 1gkl s LEU 843 Ca 0.30 -0.83 0.06 0.00 0.05 0.00 0.00 54.13 53.71 1gkl s LEU 843 Cb 0.03 1.90 -0.03 0.00 -2.05 0.00 0.00 46.19 46.04 1gkl s LEU 843 CO 0.13 -1.14 -0.16 0.20 -0.55 0.00 0.00 176.35 174.83 1gkl s ASN 844 N -2.98 3.89 -0.20 1.48 0.01 -0.79 -0.78 114.94 115.57 1gkl s ASN 844 Ca 0.19 -0.34 -0.00 0.00 -0.71 0.00 0.00 52.86 52.00 1gkl s ASN 844 Cb -0.01 -0.70 0.02 0.00 0.41 0.00 0.00 41.25 40.97 1gkl s ASN 844 CO 0.07 0.28 -0.15 -0.69 -1.51 0.00 0.00 177.10 175.10 1gkl s VAL 845 N -0.87 2.40 -0.23 1.60 1.01 0.05 -0.96 120.40 123.41 1gkl s VAL 845 Ca 0.14 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 1gkl s VAL 845 Cb -0.11 -2.09 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1gkl s VAL 845 CO 0.04 0.43 0.62 -0.47 0.00 0.00 0.00 175.10 175.72 1gkl s TYR 846 N 1.31 3.33 -0.12 5.22 6.14 0.74 -0.53 117.35 133.44 1gkl s TYR 846 Ca 0.03 0.86 -0.04 0.00 0.64 0.00 0.00 57.07 58.57 1gkl s TYR 846 Cb -0.14 -2.81 -0.03 0.00 0.42 0.00 0.00 41.96 39.39 1gkl s TYR 846 CO -0.10 -0.24 0.03 -0.51 0.64 0.00 0.00 175.55 175.37 1gkl s LEU 847 N 2.19 3.69 0.71 6.97 1.43 0.25 -1.71 118.68 132.20 1gkl s LEU 847 Ca 0.27 0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.38 1gkl s LEU 847 Cb -0.16 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.21 1gkl s LEU 847 CO 0.09 0.32 1.12 -2.16 0.23 0.00 0.00 176.35 175.95 1gkl s PRO 848 N -0.52 2.52 0.26 1.29 0.04 -1.25 -1.93 135.00 135.41 1gkl s PRO 848 Ca 0.09 1.38 -0.31 0.00 0.04 0.00 0.00 61.00 62.21 1gkl s PRO 848 Cb -0.12 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.39 1gkl s PRO 848 CO 0.02 -1.47 1.62 0.98 0.04 0.00 0.00 177.00 178.19 1gkl n TYR 849 N -2.80 2.76 -0.83 0.56 9.36 -1.26 -1.26 117.16 123.69 1gkl n TYR 849 Ca 0.10 0.21 0.00 0.00 3.32 0.00 0.00 57.90 61.53 1gkl n TYR 849 Cb 0.52 -2.61 0.00 0.00 -0.63 0.00 0.00 39.34 36.62 1gkl n TYR 849 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1gkl n GLY 850 N 2.71 0.64 3.63 2.98 0.00 -1.26 -4.97 105.19 108.92 1gkl n GLY 850 Ca 0.11 0.00 -0.57 0.00 0.00 0.00 0.00 46.02 45.56 1gkl n GLY 850 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1gkl n TYR 851 N -2.69 1.53 -3.95 1.61 9.36 -0.39 -4.94 117.16 117.70 1gkl n TYR 851 Ca 0.00 0.76 -0.30 0.00 3.32 0.00 0.00 57.90 61.68 1gkl n TYR 851 Cb 0.00 -2.31 -0.16 0.00 -0.63 0.00 0.00 39.34 36.24 1gkl n TYR 851 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1gkl s ASP 852 N 1.62 3.72 0.03 2.98 -1.08 -1.26 -5.01 116.67 117.68 1gkl s ASP 852 Ca 0.93 -1.10 0.06 0.00 -0.52 0.00 0.00 52.55 51.92 1gkl s ASP 852 Cb -1.12 -1.17 0.29 0.00 -1.46 0.00 0.00 42.92 39.45 1gkl s ASP 852 CO 0.59 -0.22 1.20 -2.65 0.52 0.00 0.00 175.17 174.61 1gkl n PRO 853 N 4.68 0.02 -0.31 4.34 -0.02 -1.26 -0.95 135.00 141.50 1gkl n PRO 853 Ca -0.12 0.44 0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1gkl n PRO 853 Cb 0.45 -1.55 0.29 0.00 -0.02 0.00 0.00 33.50 32.66 1gkl n PRO 853 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1gkl n ASN 854 N -1.58 3.48 -4.91 2.55 2.85 -1.26 -4.75 115.26 111.64 1gkl n ASN 854 Ca 0.01 -1.99 -0.20 0.00 -0.11 0.00 0.00 54.58 52.29 1gkl n ASN 854 Cb 0.06 -0.41 -0.02 0.00 1.24 0.00 0.00 39.78 40.65 1gkl n ASN 854 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1gkl s LYS 855 N -1.18 2.57 -0.12 1.20 1.02 -0.12 -5.13 119.74 117.97 1gkl s LYS 855 Ca 0.43 -1.51 0.01 0.00 0.02 0.00 0.00 55.97 54.93 1gkl s LYS 855 Cb 0.23 -2.45 -0.01 0.00 -0.52 0.00 0.00 37.83 35.08 1gkl s LYS 855 CO 0.30 -0.26 -0.17 0.15 -0.92 0.00 0.00 175.35 174.45 1gkl s LYS 856 N -4.21 3.26 -0.01 1.68 1.02 -1.26 -4.74 119.74 115.48 1gkl s LYS 856 Ca 0.49 -0.76 0.06 0.00 0.02 0.00 0.00 55.97 55.79 1gkl s LYS 856 Cb -0.05 -2.51 -0.03 0.00 -0.52 0.00 0.00 37.83 34.73 1gkl s LYS 856 CO 0.29 0.21 -0.18 0.71 -0.92 0.00 0.00 175.35 175.46 1gkl s TYR 857 N 0.34 2.58 0.71 3.18 1.51 -0.57 -4.90 117.35 120.21 1gkl s TYR 857 Ca -0.14 -0.24 -0.16 0.00 -1.01 0.00 0.00 57.07 55.52 1gkl s TYR 857 Cb -0.17 -1.54 -0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1gkl s TYR 857 CO 0.07 0.18 0.81 0.09 -1.11 0.00 0.00 175.55 175.59 1gkl n ASN 858 N 1.99 -0.13 -3.93 2.29 5.03 -1.26 -3.75 115.26 115.50 1gkl n ASN 858 Ca -0.16 0.65 -0.19 0.00 0.87 0.00 0.00 54.58 55.74 1gkl n ASN 858 Cb 0.52 -1.33 -0.16 0.00 -1.02 0.00 0.00 39.78 37.79 1gkl n ASN 858 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1gkl s ILE 859 N -1.84 0.54 -0.14 2.41 2.07 -0.79 -1.26 121.20 122.20 1gkl s ILE 859 Ca 0.71 -0.20 -0.00 0.00 -1.41 0.00 0.00 60.65 59.75 1gkl s ILE 859 Cb -0.35 -0.52 0.03 0.00 0.13 0.00 0.00 42.46 41.75 1gkl s ILE 859 CO 0.53 0.20 -0.09 0.12 -1.91 0.00 0.00 174.94 173.78 1gkl s PHE 860 N 0.45 1.79 -0.11 3.50 5.36 -0.23 -1.02 117.98 127.72 1gkl s PHE 860 Ca -0.06 -1.00 -0.14 0.00 -0.96 0.00 0.00 56.93 54.76 1gkl s PHE 860 Cb -0.10 -1.38 -0.05 0.00 -0.34 0.00 0.00 43.02 41.15 1gkl s PHE 860 CO 0.00 -0.60 0.35 0.71 -1.46 0.00 0.00 175.22 174.22 1gkl s TYR 861 N 1.61 3.55 -0.08 10.12 1.51 -0.32 -0.97 117.35 132.76 1gkl s TYR 861 Ca 0.04 0.75 -0.02 0.00 -1.01 0.00 0.00 57.07 56.83 1gkl s TYR 861 Cb -0.13 -2.34 0.03 0.00 -0.11 0.00 0.00 41.96 39.40 1gkl s TYR 861 CO -0.09 0.36 0.00 -1.17 -1.11 0.00 0.00 175.55 173.54 1gkl s LEU 862 N 0.02 0.64 -0.15 -1.29 2.96 0.33 -0.50 118.68 120.70 1gkl s LEU 862 Ca 0.20 -0.16 -0.08 0.00 -0.22 0.00 0.00 54.13 53.87 1gkl s LEU 862 Cb -0.14 -0.46 -0.04 0.00 0.50 0.00 0.00 46.19 46.05 1gkl s LEU 862 CO 0.07 -0.21 0.13 -0.32 -1.32 0.00 0.00 176.35 174.71 1gkl s MET 863 N 1.96 3.68 1.17 1.98 -2.45 0.06 -4.00 119.30 121.69 1gkl s MET 863 Ca 0.04 -0.16 -0.18 0.00 -1.25 0.00 0.00 55.69 54.14 1gkl s MET 863 Cb -0.13 -3.26 0.27 0.00 1.25 0.00 0.00 34.83 32.96 1gkl s MET 863 CO -0.06 0.62 1.10 -3.38 1.05 0.00 0.00 175.02 174.36 1gkl s HIS 864 N -0.57 0.81 0.26 4.11 -3.43 -1.26 -1.50 115.29 113.70 1gkl s HIS 864 Ca 0.13 0.60 0.04 0.00 -0.80 0.00 0.00 55.06 55.03 1gkl s HIS 864 Cb -0.12 -3.41 0.04 0.00 -1.43 0.00 0.00 32.58 27.67 1gkl s HIS 864 CO 0.02 -3.70 0.35 0.41 -2.00 0.00 0.00 174.74 169.82 1gkl n GLY 865 N -0.94 1.93 3.77 -1.38 0.00 -1.22 -2.47 105.19 104.89 1gkl n GLY 865 Ca 0.11 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 1gkl n GLY 865 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gkl s GLY 866 N -3.16 2.80 0.00 -0.02 0.00 -1.26 -2.14 107.32 103.55 1gkl s GLY 866 Ca 0.27 1.48 0.00 0.00 0.00 0.00 0.00 44.72 46.46 1gkl s GLY 866 CO 0.17 2.21 0.00 0.61 0.00 0.00 0.00 173.10 176.09 1gkl n GLY 867 N 0.90 0.96 1.81 0.20 0.00 -1.26 -5.00 105.19 102.80 1gkl n GLY 867 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1gkl n GLY 867 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gkl n GLU 868 N -2.00 0.94 -3.19 1.61 1.02 -0.91 -5.15 120.64 112.96 1gkl n GLU 868 Ca 0.00 -1.53 -0.10 0.00 -0.02 0.00 0.00 57.16 55.52 1gkl n GLU 868 Cb 0.00 0.01 -0.01 0.00 -0.02 0.00 0.00 31.44 31.42 1gkl n GLU 868 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1gkl n ASN 869 N -2.35 -1.07 0.15 1.62 0.23 -1.26 -4.92 115.26 107.64 1gkl n ASN 869 Ca 0.04 -2.29 0.10 0.00 -0.53 0.00 0.00 54.58 51.91 1gkl n ASN 869 Cb 0.29 1.95 0.53 0.00 -2.08 0.00 0.00 39.78 40.47 1gkl n ASN 869 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1gkl n GLU 870 N -0.40 0.14 0.00 -3.83 0.00 -1.26 -1.82 120.64 113.47 1gkl n GLU 870 Ca -0.01 0.60 0.10 0.00 0.00 0.00 0.00 57.16 57.85 1gkl n GLU 870 Cb 0.41 -1.91 -0.03 0.00 0.00 0.00 0.00 31.44 29.90 1gkl n GLU 870 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1gkl n ASN 871 N -2.20 0.88 -0.03 -1.84 3.02 -1.26 -4.35 115.26 109.48 1gkl n ASN 871 Ca -0.01 -0.82 -0.11 0.00 -0.03 0.00 0.00 54.58 53.62 1gkl n ASN 871 Cb 0.06 0.83 -0.04 0.00 -0.61 0.00 0.00 39.78 40.02 1gkl n ASN 871 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1gkl h THR 872 N 0.00 1.07 -0.13 3.41 2.02 -1.76 -2.17 112.91 115.35 1gkl h THR 872 Ca 0.00 -0.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 1gkl h THR 872 Cb 0.50 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1gkl h THR 872 CO 0.00 0.07 -0.14 0.40 0.37 0.00 0.00 175.52 176.22 1gkl h ILE 873 N 0.18 1.17 -0.61 3.11 2.04 -1.82 -1.51 117.51 120.07 1gkl h ILE 873 Ca 0.06 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.15 1gkl h ILE 873 Cb 0.03 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1gkl h ILE 873 CO -0.01 0.24 0.00 0.49 0.00 0.00 0.00 178.15 178.87 1gkl n PHE 874 N -4.28 0.81 -1.93 1.37 3.72 -1.19 -2.26 117.46 113.70 1gkl n PHE 874 Ca -0.01 -0.40 -0.29 0.00 -0.05 0.00 0.00 57.45 56.70 1gkl n PHE 874 Cb 0.26 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 38.92 1gkl n PHE 874 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1gkl s SER 875 N -1.14 4.08 0.31 4.37 1.04 -0.57 -4.64 113.70 117.15 1gkl s SER 875 Ca 0.44 0.59 0.22 0.00 0.48 0.00 0.00 55.95 57.69 1gkl s SER 875 Cb 0.24 -0.95 1.14 0.00 0.10 0.00 0.00 66.02 66.55 1gkl s SER 875 CO 0.32 -2.15 1.69 0.59 0.98 0.00 0.00 173.24 174.66 1gkl n ASN 876 N -3.44 0.61 0.05 7.02 3.02 -1.26 -0.82 115.26 120.43 1gkl n ASN 876 Ca 0.10 0.74 0.13 0.00 -0.03 0.00 0.00 54.58 55.53 1gkl n ASN 876 Cb 0.60 -0.83 0.49 0.00 -0.61 0.00 0.00 39.78 39.43 1gkl n ASN 876 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1gkl n ASP 877 N -2.27 0.42 0.02 6.41 8.00 -1.26 -4.54 116.55 123.33 1gkl n ASP 877 Ca -0.00 0.50 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1gkl n ASP 877 Cb 0.09 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 1gkl n ASP 877 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1gkl n VAL 878 N -1.88 0.08 -3.00 2.53 0.31 -0.79 -4.72 118.33 110.86 1gkl n VAL 878 Ca 0.06 0.02 -0.20 0.00 -0.01 0.00 0.00 64.34 64.22 1gkl n VAL 878 Cb 0.39 -0.85 0.04 0.00 -0.91 0.00 0.00 33.84 32.50 1gkl n VAL 878 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1gkl n LYS 879 N -2.82 -4.69 0.01 5.55 5.02 -0.00 -4.89 118.16 116.33 1gkl n LYS 879 Ca 0.00 0.80 0.10 0.00 -2.02 0.00 0.00 58.31 57.19 1gkl n LYS 879 Cb 0.14 -5.45 0.53 0.00 -0.02 0.00 0.00 35.03 30.23 1gkl n LYS 879 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1gkl h LEU 880 N -1.38 0.29 -1.98 -0.35 5.85 -1.73 -1.66 115.31 114.34 1gkl h LEU 880 Ca -0.47 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1gkl h LEU 880 Cb 1.32 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1gkl h LEU 880 CO 0.50 0.19 -0.02 0.06 -0.34 0.00 0.00 178.44 178.83 1gkl h GLN 881 N 0.33 0.00 -0.30 1.25 -0.00 -1.90 -0.56 115.11 113.92 1gkl h GLN 881 Ca 0.19 0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.77 1gkl h GLN 881 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.82 1gkl h GLN 881 CO -0.04 0.02 -0.09 -0.91 -0.00 0.00 0.00 178.83 177.81 1gkl h ASN 882 N 0.00 0.60 -0.32 0.06 2.35 -1.55 0.81 115.58 117.53 1gkl h ASN 882 Ca -0.00 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.36 1gkl h ASN 882 Cb 0.04 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1gkl h ASN 882 CO 0.00 0.84 0.16 0.40 -1.65 0.00 0.00 177.43 177.18 1gkl h ILE 883 N 0.36 1.16 -0.18 2.81 2.04 -1.12 -1.10 117.51 121.48 1gkl h ILE 883 Ca 0.08 -0.44 0.02 0.00 1.00 0.00 0.00 64.86 65.51 1gkl h ILE 883 Cb 0.58 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1gkl h ILE 883 CO 0.03 0.16 0.06 -0.07 0.00 0.00 0.00 178.15 178.34 1gkl h LEU 884 N 0.38 0.07 -0.13 1.44 3.38 -1.03 0.07 115.31 119.49 1gkl h LEU 884 Ca 0.11 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.12 1gkl h LEU 884 Cb 0.11 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1gkl h LEU 884 CO -0.01 0.07 0.02 0.44 0.09 0.00 0.00 178.44 179.04 1gkl h ASP 885 N 0.15 -0.01 -0.63 -0.43 3.32 -0.70 -0.81 116.42 117.32 1gkl h ASP 885 Ca 0.08 0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 1gkl h ASP 885 Cb 0.05 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1gkl h ASP 885 CO -0.08 0.02 0.02 0.45 -1.72 0.00 0.00 179.24 177.92 1gkl h HIS 886 N 0.07 1.19 -0.56 4.55 3.86 -1.03 -0.99 115.15 122.24 1gkl h HIS 886 Ca 0.06 -0.20 -0.11 0.00 -1.16 0.00 0.00 60.37 58.96 1gkl h HIS 886 Cb 0.06 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 1gkl h HIS 886 CO -0.13 1.03 -0.08 0.00 0.86 0.00 0.00 177.93 179.61 1gkl h ALA 887 N 1.00 0.79 -0.35 2.45 0.00 -0.72 -1.22 119.26 121.21 1gkl h ALA 887 Ca 0.18 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 1gkl h ALA 887 Cb 0.55 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1gkl h ALA 887 CO 0.03 0.67 -0.14 0.82 0.00 0.00 0.00 179.25 180.63 1gkl h ILE 888 N 0.93 1.28 -0.52 0.00 2.04 -1.06 -1.28 117.51 118.91 1gkl h ILE 888 Ca 0.15 -1.24 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 1gkl h ILE 888 Cb 0.65 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1gkl h ILE 888 CO 0.04 0.41 0.18 -0.03 0.00 0.00 0.00 178.15 178.75 1gkl h MET 889 N 0.50 0.76 -0.00 2.37 4.05 -1.03 -2.39 114.93 119.18 1gkl h MET 889 Ca 0.08 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 1gkl h MET 889 Cb 0.67 -0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1gkl h MET 889 CO 0.05 0.64 -0.09 0.09 0.23 0.00 0.00 176.91 177.83 1gkl n ASN 890 N -4.32 0.56 0.00 1.39 3.02 -0.47 -4.92 115.26 110.51 1gkl n ASN 890 Ca 0.04 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 1gkl n ASN 890 Cb 0.18 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 1gkl n ASN 890 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gkl n GLY 891 N 1.24 0.75 0.13 7.41 0.00 -0.90 -4.92 105.19 108.90 1gkl n GLY 891 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 1gkl n GLY 891 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1gkl h GLU 892 N 2.83 0.05 -4.21 1.61 5.08 -1.50 -3.39 114.58 115.05 1gkl h GLU 892 Ca 0.00 -0.04 -0.47 0.00 -1.00 0.00 0.00 59.36 57.85 1gkl h GLU 892 Cb 0.00 0.01 -0.35 0.00 0.50 0.00 0.00 28.75 28.91 1gkl h GLU 892 CO 0.00 0.72 -0.79 -1.17 -1.00 0.00 0.00 179.01 176.77 1gkl s LEU 893 N -7.52 1.34 0.43 1.33 2.96 -1.08 -4.76 118.68 111.38 1gkl s LEU 893 Ca -0.01 -0.21 -0.24 0.00 -0.22 0.00 0.00 54.13 53.44 1gkl s LEU 893 Cb 0.12 -0.65 -0.08 0.00 0.50 0.00 0.00 46.19 46.08 1gkl s LEU 893 CO 0.78 -0.05 1.21 -1.61 -1.32 0.00 0.00 176.35 175.36 1gkl s GLU 894 N 1.08 3.89 0.34 1.98 2.02 -1.26 -4.06 118.70 122.69 1gkl s GLU 894 Ca -0.08 1.91 -0.29 0.00 0.02 0.00 0.00 54.97 56.54 1gkl s GLU 894 Cb -0.14 -2.59 -0.12 0.00 0.10 0.00 0.00 34.13 31.38 1gkl s GLU 894 CO -0.01 -0.48 1.41 -0.35 0.02 0.00 0.00 175.26 175.85 1gkl n PRO 895 N -0.15 2.39 -3.79 0.39 -0.04 -1.26 -4.97 135.00 127.57 1gkl n PRO 895 Ca 0.05 0.84 -0.10 0.00 -0.04 0.00 0.00 63.50 64.26 1gkl n PRO 895 Cb 0.46 -2.51 -0.05 0.00 -0.04 0.00 0.00 33.50 31.37 1gkl n PRO 895 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1gkl s LEU 896 N -1.23 0.34 -0.05 1.53 2.34 -1.26 -4.43 118.68 115.93 1gkl s LEU 896 Ca 0.57 -0.57 -0.18 0.00 0.06 0.00 0.00 54.13 54.01 1gkl s LEU 896 Cb -0.53 1.87 -0.05 0.00 -0.56 0.00 0.00 46.19 46.92 1gkl s LEU 896 CO 0.60 -1.00 0.49 -0.63 -1.06 0.00 0.00 176.35 174.76 1gkl s ILE 897 N -3.89 5.04 -0.13 1.48 1.01 -0.39 -3.85 121.20 120.48 1gkl s ILE 897 Ca 0.11 1.01 0.02 0.00 0.00 0.00 0.00 60.65 61.78 1gkl s ILE 897 Cb 0.00 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.67 1gkl s ILE 897 CO -0.03 0.43 -0.19 -0.69 0.00 0.00 0.00 174.94 174.47 1gkl s VAL 898 N -0.15 1.81 -0.12 2.92 1.01 -0.69 -1.07 120.40 124.10 1gkl s VAL 898 Ca 0.27 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 1gkl s VAL 898 Cb -0.17 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1gkl s VAL 898 CO 0.13 0.50 -0.11 -0.69 0.00 0.00 0.00 175.10 174.93 1gkl s VAL 899 N 0.94 3.27 -0.47 2.92 1.01 -0.14 -0.19 120.40 127.73 1gkl s VAL 899 Ca -0.06 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.33 1gkl s VAL 899 Cb -0.15 -2.37 0.13 0.00 0.00 0.00 0.00 36.38 33.99 1gkl s VAL 899 CO -0.03 0.53 0.24 0.42 0.00 0.00 0.00 175.10 176.26 1gkl s THR 900 N 0.10 2.94 0.00 3.92 -4.23 -0.13 -0.51 115.64 117.73 1gkl s THR 900 Ca -0.05 -2.70 0.00 0.00 -1.18 0.00 0.00 61.69 57.76 1gkl s THR 900 Cb -0.14 -3.03 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1gkl s THR 900 CO 0.04 -0.74 0.00 -0.81 -0.54 0.00 0.00 174.62 172.57 1gkl n PRO 901 N 3.83 0.80 -3.95 3.99 -0.04 -1.26 -1.88 135.00 136.49 1gkl n PRO 901 Ca 0.04 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1gkl n PRO 901 Cb 0.38 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.72 1gkl n PRO 901 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1gkl s THR 902 N 0.18 0.10 -2.25 0.52 -1.32 -1.26 -4.15 115.64 107.47 1gkl s THR 902 Ca 0.00 -0.63 0.19 0.00 -1.21 0.00 0.00 61.69 60.04 1gkl s THR 902 Cb 0.00 -0.20 0.43 0.00 -1.51 0.00 0.00 72.50 71.22 1gkl s THR 902 CO 0.00 -0.33 1.48 2.22 -2.21 0.00 0.00 174.62 175.78 1gkl n PHE 903 N 2.06 0.30 -1.94 9.09 1.16 -1.26 -4.93 117.46 121.94 1gkl n PHE 903 Ca -0.20 -0.15 -0.30 0.00 -1.87 0.00 0.00 57.45 54.93 1gkl n PHE 903 Cb 0.57 0.00 0.03 0.00 -1.61 0.00 0.00 39.48 38.46 1gkl n PHE 903 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1gkl s ASN 904 N -1.45 5.82 0.00 5.98 0.01 -1.26 -3.33 114.94 120.70 1gkl s ASN 904 Ca 0.32 1.21 0.00 0.00 -0.71 0.00 0.00 52.86 53.68 1gkl s ASN 904 Cb 0.17 -2.15 0.00 0.00 0.41 0.00 0.00 41.25 39.68 1gkl s ASN 904 CO 0.25 -1.09 0.00 0.61 -1.51 0.00 0.00 177.10 175.36 1gkl n GLY 905 N -2.84 2.02 7.00 0.66 0.00 -1.26 -4.76 105.19 106.01 1gkl n GLY 905 Ca 0.06 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1gkl n GLY 905 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gkl n GLY 906 N 2.22 3.26 0.57 -0.02 0.00 -1.22 -0.81 105.19 109.19 1gkl n GLY 906 Ca 0.00 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.04 1gkl n GLY 906 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gkl n ASN 907 N 3.61 1.71 -4.77 1.61 4.13 -1.26 -4.97 115.26 115.31 1gkl n ASN 907 Ca 0.00 -1.75 -0.39 0.00 1.68 0.00 0.00 54.58 54.13 1gkl n ASN 907 Cb 0.00 -0.12 -0.03 0.00 -1.54 0.00 0.00 39.78 38.08 1gkl n ASN 907 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1gkl s THR 909 N -1.36 0.31 0.37 0.00 -4.23 -1.21 -4.52 115.64 104.99 1gkl s THR 909 Ca 0.52 -1.97 0.07 0.00 -1.18 0.00 0.00 61.69 59.13 1gkl s THR 909 Cb -0.30 -2.33 0.30 0.00 1.34 0.00 0.00 72.50 71.51 1gkl s THR 909 CO 0.38 -0.23 1.95 0.00 -0.54 0.00 0.00 174.62 176.18 1gkl h ALA 910 N 2.64 1.76 -0.19 3.99 0.00 -1.90 -1.59 119.26 123.98 1gkl h ALA 910 Ca -0.36 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1gkl h ALA 910 Cb 1.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1gkl h ALA 910 CO 0.59 0.10 -0.27 0.37 0.00 0.00 0.00 179.25 180.04 1gkl h GLN 911 N 0.70 0.52 -0.10 0.00 4.15 -1.90 -3.34 115.11 115.14 1gkl h GLN 911 Ca 0.33 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1gkl h GLN 911 Cb 0.36 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1gkl h GLN 911 CO -0.11 0.90 0.00 0.27 -1.93 0.00 0.00 178.83 177.96 1gkl n ASN 912 N -4.38 2.73 -0.01 -0.69 0.23 -1.06 -4.47 115.26 107.61 1gkl n ASN 912 Ca -0.06 -1.89 0.15 0.00 -0.53 0.00 0.00 54.58 52.25 1gkl n ASN 912 Cb 0.45 -0.05 0.59 0.00 -2.08 0.00 0.00 39.78 38.69 1gkl n ASN 912 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1gkl h PHE 913 N 4.08 0.21 -0.70 -2.53 3.57 -1.41 -1.90 116.94 118.26 1gkl h PHE 913 Ca 0.00 0.01 0.20 0.00 3.53 0.00 0.00 57.97 61.71 1gkl h PHE 913 Cb 0.87 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1gkl h PHE 913 CO 0.05 0.10 0.52 0.10 -2.23 0.00 0.00 178.31 176.85 1gkl h TYR 914 N 0.20 0.00 -0.12 0.41 -0.00 -1.86 -0.07 116.97 115.53 1gkl h TYR 914 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.73 1gkl h TYR 914 Cb 0.66 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.40 1gkl h TYR 914 CO -0.00 0.00 -0.83 0.37 -0.00 0.00 0.00 178.16 177.70 1gkl h GLN 915 N 0.00 0.76 -0.60 0.10 5.75 -1.70 -1.39 115.11 118.03 1gkl h GLN 915 Ca 0.33 -0.66 -0.05 0.00 -0.15 0.00 0.00 58.65 58.12 1gkl h GLN 915 Cb 1.37 0.15 -0.03 0.00 1.07 0.00 0.00 27.48 30.04 1gkl h GLN 915 CO -0.00 1.26 0.15 1.49 -2.65 0.00 0.00 178.83 179.08 1gkl h GLU 916 N 0.50 0.93 -0.25 1.69 4.81 -1.45 -1.96 114.58 118.86 1gkl h GLU 916 Ca -0.07 -0.20 0.05 0.00 -0.13 0.00 0.00 59.36 59.02 1gkl h GLU 916 Cb 1.47 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.66 1gkl h GLU 916 CO 0.17 0.83 -0.08 0.35 -0.73 0.00 0.00 179.01 179.54 1gkl h PHE 917 N 0.89 -0.18 -0.13 0.92 3.57 -0.83 0.13 116.94 121.31 1gkl h PHE 917 Ca 0.19 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1gkl h PHE 917 Cb 0.31 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1gkl h PHE 917 CO 0.02 -0.13 0.04 0.00 -2.23 0.00 0.00 178.31 176.01 1gkl h ARG 918 N -0.03 0.20 0.03 1.11 3.08 -1.06 -1.83 114.38 115.90 1gkl h ARG 918 Ca 0.12 -0.05 -0.28 0.00 0.07 0.00 0.00 59.98 59.85 1gkl h ARG 918 Cb 0.22 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1gkl h ARG 918 CO -0.27 0.35 -1.50 1.96 -1.07 0.00 0.00 179.97 179.44 1gkl h GLN 919 N 0.02 0.07 0.00 0.04 4.20 -1.26 -3.42 115.11 114.76 1gkl h GLN 919 Ca 0.04 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 1gkl h GLN 919 Cb 0.23 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1gkl h GLN 919 CO -0.00 0.81 -1.00 0.09 -0.67 0.00 0.00 178.83 178.06 1gkl n ASN 920 N -3.24 1.00 0.06 1.46 5.03 0.34 -4.66 115.26 115.25 1gkl n ASN 920 Ca -0.13 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.19 1gkl n ASN 920 Cb 1.02 -0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.69 1gkl n ASN 920 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1gkl h VAL 921 N -0.00 1.06 0.21 2.41 2.07 -1.21 -1.49 116.25 119.31 1gkl h VAL 921 Ca -0.00 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1gkl h VAL 921 Cb 1.00 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1gkl h VAL 921 CO -0.00 0.20 -0.10 0.40 0.02 0.00 0.00 177.57 178.08 1gkl h ILE 922 N -0.56 0.79 -0.76 4.57 2.04 -1.58 -0.74 117.51 121.28 1gkl h ILE 922 Ca -0.02 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1gkl h ILE 922 Cb 0.44 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.29 1gkl h ILE 922 CO 0.03 0.00 0.51 -0.65 0.00 0.00 0.00 178.15 178.04 1gkl h PRO 923 N -0.30 1.01 0.13 2.37 0.11 -1.81 0.44 132.00 133.95 1gkl h PRO 923 Ca -0.03 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1gkl h PRO 923 Cb 0.23 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1gkl h PRO 923 CO 0.05 0.67 -0.06 0.35 -0.21 0.00 0.00 178.00 178.80 1gkl h PHE 924 N 1.04 -0.16 -0.20 0.65 3.57 -0.94 -2.25 116.94 118.65 1gkl h PHE 924 Ca 0.28 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 1gkl h PHE 924 Cb -0.12 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 1gkl h PHE 924 CO 0.00 0.16 -0.13 0.28 -2.23 0.00 0.00 178.31 176.39 1gkl h VAL 925 N -0.48 1.32 -0.00 1.41 2.07 -1.02 -3.17 116.25 116.38 1gkl h VAL 925 Ca -0.02 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1gkl h VAL 925 Cb 0.38 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1gkl h VAL 925 CO 0.03 0.37 -0.16 -0.62 0.02 0.00 0.00 177.57 177.21 1gkl n GLU 926 N -4.53 0.28 0.11 1.57 1.02 0.14 -1.25 120.64 117.97 1gkl n GLU 926 Ca -0.05 -0.09 0.03 0.00 -0.02 0.00 0.00 57.16 57.03 1gkl n GLU 926 Cb 0.35 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.27 1gkl n GLU 926 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1gkl h SER 927 N 0.22 0.00 0.24 1.62 4.64 -1.44 -3.38 113.55 115.45 1gkl h SER 927 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1gkl h SER 927 Cb 0.44 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 1gkl h SER 927 CO 0.00 0.44 -1.91 1.17 -0.87 0.00 0.00 176.83 175.66 1gkl n LYS 928 N -3.06 0.72 -4.42 4.77 4.81 -0.86 -4.97 118.16 115.15 1gkl n LYS 928 Ca -0.02 0.27 -0.24 0.00 -0.87 0.00 0.00 58.31 57.46 1gkl n LYS 928 Cb 0.74 -1.73 -0.09 0.00 0.02 0.00 0.00 35.03 33.96 1gkl n LYS 928 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1gkl s TYR 929 N -2.57 2.42 -0.62 5.64 2.02 -0.38 -5.08 117.35 118.77 1gkl s TYR 929 Ca -0.17 -0.31 -0.19 0.00 -0.37 0.00 0.00 57.07 56.03 1gkl s TYR 929 Cb 0.07 -1.07 0.10 0.00 -0.40 0.00 0.00 41.96 40.66 1gkl s TYR 929 CO 0.79 0.68 0.76 -1.12 -1.57 0.00 0.00 175.55 175.09 1gkl s SER 930 N -3.57 6.21 0.00 2.29 0.01 -1.26 -4.60 113.70 112.78 1gkl s SER 930 Ca 0.31 -1.42 0.00 0.00 1.31 0.00 0.00 55.95 56.14 1gkl s SER 930 Cb -0.05 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1gkl s SER 930 CO 0.17 -1.15 0.00 0.35 0.41 0.00 0.00 173.24 173.01 1gkl n THR 931 N 5.56 0.00 1.44 1.44 -2.24 -1.26 -1.52 114.28 117.70 1gkl n THR 931 Ca -0.07 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.86 1gkl n THR 931 Cb 0.43 -0.66 0.70 0.00 -2.10 0.00 0.00 70.33 68.71 1gkl n THR 931 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1gkl n TYR 932 N -0.34 0.00 -2.28 4.78 4.02 -1.25 -4.36 117.16 117.74 1gkl n TYR 932 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1gkl n TYR 932 Cb 0.00 -0.24 -0.02 0.00 -0.02 0.00 0.00 39.34 39.06 1gkl n TYR 932 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1gkl s ALA 933 N -2.52 3.25 0.27 -0.72 0.00 -1.26 -4.74 121.76 116.04 1gkl s ALA 933 Ca 0.29 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.49 1gkl s ALA 933 Cb 0.20 -3.84 0.37 0.00 0.00 0.00 0.00 23.12 19.85 1gkl s ALA 933 CO 0.47 -1.99 1.65 0.93 0.00 0.00 0.00 175.76 176.81 1gkl h GLU 934 N 10.23 0.29 -4.17 0.00 5.08 -1.86 -3.45 114.58 120.70 1gkl h GLU 934 Ca -0.29 -0.15 -0.16 0.00 -1.00 0.00 0.00 59.36 57.76 1gkl h GLU 934 Cb 1.12 0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.25 1gkl h GLU 934 CO 1.03 0.69 -0.41 -1.54 -1.00 0.00 0.00 179.01 177.78 1gkl s SER 935 N -6.88 0.06 -0.27 1.42 1.04 -1.26 -5.07 113.70 102.75 1gkl s SER 935 Ca -0.05 -1.15 0.12 0.00 0.48 0.00 0.00 55.95 55.34 1gkl s SER 935 Cb 0.13 0.45 0.56 0.00 0.10 0.00 0.00 66.02 67.26 1gkl s SER 935 CO 0.79 -0.94 1.52 0.35 0.98 0.00 0.00 173.24 175.94 1gkl n THR 936 N -0.29 2.55 -1.27 2.02 -2.24 -1.26 -3.65 114.28 110.15 1gkl n THR 936 Ca -0.01 -2.24 -0.30 0.00 -2.27 0.00 0.00 64.05 59.23 1gkl n THR 936 Cb 0.64 -0.31 0.11 0.00 -2.10 0.00 0.00 70.33 68.67 1gkl n THR 936 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1gkl s THR 937 N -3.07 3.00 0.30 4.28 -4.23 -1.26 -4.77 115.64 109.90 1gkl s THR 937 Ca 0.46 0.32 0.06 0.00 -1.18 0.00 0.00 61.69 61.36 1gkl s THR 937 Cb 0.39 -2.84 0.30 0.00 1.34 0.00 0.00 72.50 71.69 1gkl s THR 937 CO 0.06 -0.42 1.76 -0.65 -0.54 0.00 0.00 174.62 174.82 1gkl h PRO 938 N -1.32 0.67 -0.51 3.99 0.11 -1.98 -0.52 132.00 132.44 1gkl h PRO 938 Ca -0.47 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1gkl h PRO 938 Cb 1.26 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1gkl h PRO 938 CO 0.54 0.44 0.17 0.37 -0.21 0.00 0.00 178.00 179.32 1gkl h GLN 939 N 0.69 0.78 -0.41 1.05 4.15 -1.94 -0.03 115.11 119.40 1gkl h GLN 939 Ca 0.59 -0.16 -0.10 0.00 0.77 0.00 0.00 58.65 59.75 1gkl h GLN 939 Cb 0.99 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.55 1gkl h GLN 939 CO -0.42 0.71 -0.16 0.78 -1.93 0.00 0.00 178.83 177.81 1gkl h GLY 940 N 0.68 0.83 0.67 2.39 0.00 -1.43 -0.70 103.07 105.51 1gkl h GLY 940 Ca 0.17 -0.66 -0.02 0.00 0.00 0.00 0.00 47.33 46.82 1gkl h GLY 940 CO -0.01 0.60 -0.02 -2.22 0.00 0.00 0.00 176.54 174.89 1gkl h ILE 941 N 0.68 1.31 -0.74 2.60 2.04 -1.01 -3.09 117.51 119.30 1gkl h ILE 941 Ca 0.11 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1gkl h ILE 941 Cb 0.65 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 1gkl h ILE 941 CO 0.05 0.27 0.43 0.00 0.00 0.00 0.00 178.15 178.89 1gkl h ALA 942 N 0.65 1.37 0.00 1.87 0.00 -0.90 -1.65 119.26 120.60 1gkl h ALA 942 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1gkl h ALA 942 Cb 0.44 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1gkl h ALA 942 CO 0.01 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1gkl n ALA 943 N -2.43 1.58 -0.51 0.00 0.00 -0.28 -2.58 120.51 116.29 1gkl n ALA 943 Ca 0.08 0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.66 1gkl n ALA 943 Cb 0.08 -1.36 0.14 0.00 0.00 0.00 0.00 19.45 18.31 1gkl n ALA 943 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1gkl n SER 944 N -2.15 2.83 0.03 0.00 3.41 -0.64 -4.78 113.62 112.32 1gkl n SER 944 Ca 0.02 -2.47 0.17 0.00 -0.26 0.00 0.00 58.87 56.33 1gkl n SER 944 Cb 0.20 -0.29 0.65 0.00 -0.26 0.00 0.00 64.21 64.51 1gkl n SER 944 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1gkl h ARG 945 N 1.07 0.06 0.00 4.33 0.11 -1.28 -1.48 114.38 117.19 1gkl h ARG 945 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1gkl h ARG 945 Cb 0.91 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.97 1gkl h ARG 945 CO 0.06 0.04 0.00 -1.33 0.10 0.00 0.00 179.97 178.84 1gkl n MET 946 N -4.42 0.05 -0.36 0.08 2.81 -1.26 -2.34 117.12 111.68 1gkl n MET 946 Ca 0.08 0.36 0.07 0.00 -1.81 0.00 0.00 57.70 56.39 1gkl n MET 946 Cb 0.49 -1.60 0.19 0.00 -0.71 0.00 0.00 33.22 31.58 1gkl n MET 946 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1gkl n HIS 947 N -1.69 0.32 -4.49 2.03 8.25 -0.56 -4.73 115.22 114.35 1gkl n HIS 947 Ca 0.02 -1.17 -0.22 0.00 -0.26 0.00 0.00 57.72 56.09 1gkl n HIS 947 Cb 0.14 -0.25 -0.16 0.00 1.12 0.00 0.00 29.99 30.84 1gkl n HIS 947 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1gkl s ARG 948 N -3.00 1.23 0.12 -0.41 3.52 -1.01 -1.88 118.95 117.50 1gkl s ARG 948 Ca 0.37 -0.37 0.03 0.00 -0.13 0.00 0.00 55.73 55.63 1gkl s ARG 948 Cb 0.33 -1.10 -0.04 0.00 -1.56 0.00 0.00 34.95 32.58 1gkl s ARG 948 CO 0.01 0.11 -0.07 0.20 -0.81 0.00 0.00 175.30 174.74 1gkl s GLY 949 N 0.29 0.89 -0.01 8.12 0.00 -0.19 -2.26 107.32 114.15 1gkl s GLY 949 Ca -0.06 -1.41 -0.00 0.00 0.00 0.00 0.00 44.72 43.25 1gkl s GLY 949 CO 0.01 -1.50 0.02 -0.12 0.00 0.00 0.00 173.10 171.51 1gkl s PHE 950 N -3.53 0.01 0.32 1.90 2.19 -0.18 -1.17 117.98 117.51 1gkl s PHE 950 Ca 0.14 0.07 -0.04 0.00 0.33 0.00 0.00 56.93 57.43 1gkl s PHE 950 Cb 0.04 -0.10 0.00 0.00 -1.31 0.00 0.00 43.02 41.66 1gkl s PHE 950 CO -0.03 -0.04 0.47 0.20 1.83 0.00 0.00 175.22 177.65 1gkl s GLY 951 N 0.48 1.32 0.00 13.12 0.00 0.35 -0.69 107.32 121.90 1gkl s GLY 951 Ca -0.04 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1gkl s GLY 951 CO -0.01 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 172.75 1gkl n GLY 952 N -0.52 1.25 3.43 0.20 0.00 -0.92 -0.76 105.19 107.86 1gkl n GLY 952 Ca 0.00 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.95 1gkl n GLY 952 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1gkl s PHE 953 N -2.00 2.95 0.00 1.61 5.36 -0.56 -0.90 117.98 124.44 1gkl s PHE 953 Ca 0.00 -0.48 0.00 0.00 -0.96 0.00 0.00 56.93 55.49 1gkl s PHE 953 Cb 0.00 -1.94 0.00 0.00 -0.34 0.00 0.00 43.02 40.74 1gkl s PHE 953 CO 0.00 -0.15 0.00 0.00 -1.46 0.00 0.00 175.22 173.61 1gkl n ALA 954 N 3.68 0.00 0.13 11.12 0.00 -0.16 -0.14 120.51 135.15 1gkl n ALA 954 Ca -0.18 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.42 1gkl n ALA 954 Cb 0.52 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.69 1gkl n ALA 954 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1gkl h MET 955 N 0.00 0.00 0.00 0.00 2.86 -1.84 0.17 114.93 116.12 1gkl h MET 955 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1gkl h MET 955 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1gkl h MET 955 CO 0.00 0.00 -0.25 0.78 1.06 0.00 0.00 176.91 178.50 1gkl h GLY 956 N 0.00 0.00 0.98 8.32 0.00 -0.21 -0.99 103.07 111.18 1gkl h GLY 956 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.35 1gkl h GLY 956 CO -0.00 0.00 -0.21 -1.33 0.00 0.00 0.00 176.54 175.00 1gkl h GLY 957 N 2.08 0.81 0.78 4.60 0.00 -0.50 -1.66 103.07 109.18 1gkl h GLY 957 Ca -0.00 -0.76 0.04 0.00 0.00 0.00 0.00 47.33 46.61 1gkl h GLY 957 CO 0.03 0.69 0.27 -2.00 0.00 0.00 0.00 176.54 175.53 1gkl h LEU 958 N 0.52 0.41 -0.70 3.11 6.46 -0.96 -1.59 115.31 122.56 1gkl h LEU 958 Ca 0.07 0.02 0.10 0.00 -0.12 0.00 0.00 57.88 57.95 1gkl h LEU 958 Cb 0.76 -0.06 -0.07 0.00 -0.73 0.00 0.00 40.66 40.56 1gkl h LEU 958 CO 0.06 0.28 0.32 0.74 -0.62 0.00 0.00 178.44 179.23 1gkl h THR 959 N 0.53 0.81 -0.65 1.05 2.02 -1.05 -1.93 112.91 113.69 1gkl h THR 959 Ca 0.22 -0.19 0.02 0.00 0.77 0.00 0.00 66.41 67.24 1gkl h THR 959 Cb 0.10 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.68 1gkl h THR 959 CO -0.14 0.10 0.41 0.74 0.37 0.00 0.00 175.52 177.00 1gkl h THR 960 N 0.54 1.10 -0.68 3.16 2.02 -0.38 0.10 112.91 118.77 1gkl h THR 960 Ca 0.35 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 67.18 1gkl h THR 960 Cb 0.40 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1gkl h THR 960 CO -0.29 0.15 0.12 -0.50 0.37 0.00 0.00 175.52 175.36 1gkl h TRP 961 N 0.80 1.19 -0.33 3.16 4.06 -0.70 0.45 115.95 124.58 1gkl h TRP 961 Ca 0.26 -0.16 -0.11 0.00 2.06 0.00 0.00 58.89 60.94 1gkl h TRP 961 Cb 0.00 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 27.82 1gkl h TRP 961 CO -0.05 0.99 -0.24 1.88 -3.56 0.00 0.00 178.44 177.46 1gkl h TYR 962 N 1.05 0.75 -0.41 0.49 -1.99 -0.89 -1.70 116.97 114.28 1gkl h TYR 962 Ca 0.21 -0.17 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 1gkl h TYR 962 Cb 0.43 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.96 1gkl h TYR 962 CO 0.03 0.85 0.24 0.28 -0.00 0.00 0.00 178.16 179.56 1gkl h VAL 963 N 0.58 1.14 -0.09 -2.88 2.07 -0.43 -2.10 116.25 114.54 1gkl h VAL 963 Ca 0.08 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1gkl h VAL 963 Cb 0.72 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1gkl h VAL 963 CO 0.06 0.14 -0.01 -0.03 0.02 0.00 0.00 177.57 177.75 1gkl h MET 964 N 0.53 0.02 0.00 1.57 1.85 -0.55 0.36 114.93 118.71 1gkl h MET 964 Ca 0.15 -0.00 -0.03 0.00 -0.61 0.00 0.00 59.70 59.20 1gkl h MET 964 Cb 0.02 -0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.05 1gkl h MET 964 CO -0.03 0.01 -0.15 -0.39 -0.40 0.00 0.00 176.91 175.96 1gkl h VAL 965 N 0.02 0.32 -0.01 -5.77 -1.51 -1.26 -3.05 116.25 104.99 1gkl h VAL 965 Ca 0.04 -1.04 0.00 0.00 -1.23 0.00 0.00 66.70 64.47 1gkl h VAL 965 Cb 0.05 1.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 1gkl h VAL 965 CO -0.08 0.15 -0.33 0.59 -1.23 0.00 0.00 177.57 176.67 1gkl n ASN 966 N -3.23 1.72 -1.24 4.19 3.02 -0.80 -4.63 115.26 114.29 1gkl n ASN 966 Ca 0.01 -1.36 0.04 0.00 -0.03 0.00 0.00 54.58 53.24 1gkl n ASN 966 Cb 0.45 0.44 0.04 0.00 -0.61 0.00 0.00 39.78 40.10 1gkl n ASN 966 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gkl h LEU 968 N 0.82 0.00 -2.08 0.00 3.38 -1.70 -0.66 115.31 115.07 1gkl h LEU 968 Ca -0.17 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1gkl h LEU 968 Cb 1.72 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.47 1gkl h LEU 968 CO 0.07 0.00 -0.08 -2.24 0.09 0.00 0.00 178.44 176.28 1gkl h ASP 969 N 0.00 0.00 0.00 -0.43 2.03 -1.91 -3.22 116.42 112.89 1gkl h ASP 969 Ca 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 1gkl h ASP 969 Cb 0.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.68 1gkl h ASP 969 CO -0.00 0.08 -1.32 -1.22 -1.03 0.00 0.00 179.24 175.75 1gkl n TYR 970 N -3.78 0.00 -4.00 4.15 4.02 -0.37 -4.33 117.16 112.84 1gkl n TYR 970 Ca -0.02 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.70 1gkl n TYR 970 Cb 0.18 -0.21 -0.16 0.00 -0.02 0.00 0.00 39.34 39.14 1gkl n TYR 970 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1gkl s VAL 971 N -2.66 0.26 -0.08 -0.72 1.01 -0.53 -4.35 120.40 113.34 1gkl s VAL 971 Ca -0.02 -0.01 0.14 0.00 0.00 0.00 0.00 61.98 62.09 1gkl s VAL 971 Cb 0.08 -0.31 -0.21 0.00 0.00 0.00 0.00 36.38 35.94 1gkl s VAL 971 CO 0.48 0.14 0.20 0.00 0.00 0.00 0.00 175.10 175.92 1gkl n ALA 972 N 3.83 2.12 -2.94 5.51 0.00 -0.96 -4.48 120.51 123.59 1gkl n ALA 972 Ca -0.23 -0.65 -0.32 0.00 0.00 0.00 0.00 53.44 52.23 1gkl n ALA 972 Cb 0.52 -0.30 -0.16 0.00 0.00 0.00 0.00 19.45 19.51 1gkl n ALA 972 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1gkl s TYR 973 N -2.73 2.55 -0.05 0.00 1.51 -1.14 -0.66 117.35 116.83 1gkl s TYR 973 Ca -0.06 -0.80 0.03 0.00 -1.01 0.00 0.00 57.07 55.23 1gkl s TYR 973 Cb 0.07 -1.68 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1gkl s TYR 973 CO 0.62 -0.26 -0.12 -0.06 -1.11 0.00 0.00 175.55 174.61 1gkl s PHE 974 N 0.05 1.36 -0.55 2.71 0.08 -0.12 -1.01 117.98 120.50 1gkl s PHE 974 Ca -0.09 -0.44 0.06 0.00 0.12 0.00 0.00 56.93 56.58 1gkl s PHE 974 Cb -0.15 -0.98 0.21 0.00 -0.57 0.00 0.00 43.02 41.53 1gkl s PHE 974 CO 0.06 -0.20 0.55 -0.12 -0.10 0.00 0.00 175.22 175.40 1gkl n MET 975 N 3.54 1.46 -2.43 0.44 1.56 0.14 -0.95 117.12 120.88 1gkl n MET 975 Ca -0.21 -3.99 -0.42 0.00 -0.27 0.00 0.00 57.70 52.81 1gkl n MET 975 Cb 0.53 -1.90 -0.03 0.00 2.15 0.00 0.00 33.22 33.97 1gkl n MET 975 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1gkl s PRO 976 N -1.42 4.32 -0.23 2.12 0.04 -1.25 -2.18 135.00 136.41 1gkl s PRO 976 Ca 0.34 1.69 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 1gkl s PRO 976 Cb 0.08 -3.60 0.02 0.00 0.04 0.00 0.00 34.50 31.04 1gkl s PRO 976 CO -0.11 -0.51 -0.09 -0.51 0.04 0.00 0.00 177.00 175.82 1gkl s LEU 977 N 2.51 2.97 -1.42 -3.56 1.43 -0.07 -1.83 118.68 118.69 1gkl s LEU 977 Ca 0.56 -0.81 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 1gkl s LEU 977 Cb -0.24 -1.63 0.04 0.00 0.03 0.00 0.00 46.19 44.38 1gkl s LEU 977 CO 0.21 -0.09 0.72 -1.20 0.23 0.00 0.00 176.35 176.21 1gkl n SER 978 N 4.66 -2.13 -3.60 2.29 7.64 0.11 -0.99 113.62 121.60 1gkl n SER 978 Ca -0.17 -0.87 -0.15 0.00 1.01 0.00 0.00 58.87 58.69 1gkl n SER 978 Cb 0.48 -3.68 -0.07 0.00 -1.01 0.00 0.00 64.21 59.93 1gkl n SER 978 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1gkl s GLY 979 N -4.00 -0.54 0.43 0.23 0.00 -1.26 -2.86 107.32 99.32 1gkl s GLY 979 Ca 0.24 1.85 0.08 0.00 0.00 0.00 0.00 44.72 46.88 1gkl s GLY 979 CO 0.84 1.53 0.41 0.51 0.00 0.00 0.00 173.10 176.40 1gkl s ASP 980 N -0.06 5.08 -0.37 1.64 -4.77 -1.26 -4.64 116.67 112.28 1gkl s ASP 980 Ca -0.03 -0.76 -0.22 0.00 -3.30 0.00 0.00 52.55 48.24 1gkl s ASP 980 Cb -0.04 -0.47 0.01 0.00 -1.09 0.00 0.00 42.92 41.33 1gkl s ASP 980 CO 0.03 -0.72 0.71 -0.47 0.70 0.00 0.00 175.17 175.42 1gkl s TYR 981 N -2.49 3.12 -1.21 2.11 5.04 -1.26 -4.26 117.35 118.41 1gkl s TYR 981 Ca 0.48 0.43 -0.09 0.00 -2.44 0.00 0.00 57.07 55.46 1gkl s TYR 981 Cb -0.04 -3.29 0.21 0.00 0.35 0.00 0.00 41.96 39.19 1gkl s TYR 981 CO 0.28 -0.70 1.66 0.91 -1.34 0.00 0.00 175.55 176.36 1gkl n TRP 982 N 6.26 3.23 -3.38 4.97 8.01 -1.26 -4.76 117.44 130.51 1gkl n TRP 982 Ca 0.01 -2.90 -0.17 0.00 -1.31 0.00 0.00 57.50 53.13 1gkl n TRP 982 Cb 0.48 -1.79 -0.08 0.00 -2.01 0.00 0.00 31.31 27.91 1gkl n TRP 982 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.69 176.21 1gkl s TYR 983 N -0.37 -0.31 0.00 -5.99 5.04 -1.26 -5.12 117.35 109.34 1gkl s TYR 983 Ca 0.37 -0.65 0.00 0.00 -2.44 0.00 0.00 57.07 54.35 1gkl s TYR 983 Cb 0.05 -0.44 0.00 0.00 0.35 0.00 0.00 41.96 41.92 1gkl s TYR 983 CO 0.02 -0.95 0.00 0.41 -1.34 0.00 0.00 175.55 173.70 1gkl n GLY 984 N 4.57 4.25 0.58 8.97 0.00 -1.26 -3.70 105.19 118.60 1gkl n GLY 984 Ca 0.07 -1.47 0.14 0.00 0.00 0.00 0.00 46.02 44.75 1gkl n GLY 984 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gkl n ASN 985 N 0.00 1.83 -3.76 1.61 3.02 -1.26 -4.87 115.26 111.83 1gkl n ASN 985 Ca 0.00 -1.60 -0.10 0.00 -0.03 0.00 0.00 54.58 52.85 1gkl n ASN 985 Cb 0.00 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.13 1gkl n ASN 985 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1gkl s SER 986 N -2.01 -0.18 0.40 6.41 1.04 -1.26 -5.01 113.70 113.09 1gkl s SER 986 Ca 0.36 -0.52 0.07 0.00 0.48 0.00 0.00 55.95 56.34 1gkl s SER 986 Cb 0.21 0.51 0.85 0.00 0.10 0.00 0.00 66.02 67.69 1gkl s SER 986 CO 0.33 -0.96 2.03 -0.65 0.98 0.00 0.00 173.24 174.97 1gkl h PRO 987 N 2.33 0.57 -0.54 4.02 0.11 -1.91 -1.90 132.00 134.68 1gkl h PRO 987 Ca -0.31 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.69 1gkl h PRO 987 Cb 1.25 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1gkl h PRO 987 CO 0.43 0.38 0.04 1.96 -0.21 0.00 0.00 178.00 180.60 1gkl h GLN 988 N 0.59 0.89 -0.66 1.05 7.50 -1.94 -1.11 115.11 121.43 1gkl h GLN 988 Ca 0.20 -0.24 -0.02 0.00 0.50 0.00 0.00 58.65 59.09 1gkl h GLN 988 Cb 0.06 -0.11 -0.03 0.00 0.05 0.00 0.00 27.48 27.46 1gkl h GLN 988 CO -0.05 0.86 0.33 -0.44 -1.50 0.00 0.00 178.83 178.03 1gkl h ASP 989 N 0.84 0.84 -0.11 1.46 3.32 -1.70 0.92 116.42 121.99 1gkl h ASP 989 Ca 0.17 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1gkl h ASP 989 Cb 0.44 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1gkl h ASP 989 CO 0.02 0.72 0.05 0.11 -1.72 0.00 0.00 179.24 178.42 1gkl h LYS 990 N 0.90 0.16 -0.82 3.56 1.57 -1.03 -1.05 116.57 119.86 1gkl h LYS 990 Ca 0.23 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1gkl h LYS 990 Cb 0.09 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1gkl h LYS 990 CO -0.03 0.23 0.38 0.00 -0.57 0.00 0.00 179.45 179.46 1gkl h ALA 991 N 0.91 1.13 -0.36 3.86 0.00 -1.03 -2.35 119.26 121.42 1gkl h ALA 991 Ca 0.04 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1gkl h ALA 991 Cb 0.13 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1gkl h ALA 991 CO -0.00 0.65 -0.12 -0.91 0.00 0.00 0.00 179.25 178.87 1gkl h ASN 992 N 1.17 0.62 -0.49 0.00 2.35 -0.60 0.23 115.58 118.86 1gkl h ASN 992 Ca 0.28 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1gkl h ASN 992 Cb 0.14 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 1gkl h ASN 992 CO -0.03 0.77 0.21 -1.28 -1.65 0.00 0.00 177.43 175.45 1gkl h SER 993 N 0.58 0.66 -0.47 5.81 0.87 -0.83 0.11 113.55 120.29 1gkl h SER 993 Ca 0.10 -0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 1gkl h SER 993 Cb 0.54 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1gkl h SER 993 CO 0.03 0.63 0.11 0.40 -0.53 0.00 0.00 176.83 177.47 1gkl h ILE 994 N 0.65 1.24 -0.76 2.23 2.04 -1.04 -1.51 117.51 120.36 1gkl h ILE 994 Ca 0.17 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 65.19 1gkl h ILE 994 Cb 0.16 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.10 1gkl h ILE 994 CO -0.02 0.30 0.49 0.00 0.00 0.00 0.00 178.15 178.92 1gkl h ALA 995 N 0.97 0.96 -0.59 1.87 0.00 -0.70 -0.93 119.26 120.85 1gkl h ALA 995 Ca 0.15 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1gkl h ALA 995 Cb 0.34 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1gkl h ALA 995 CO 0.00 0.39 0.06 0.93 0.00 0.00 0.00 179.25 180.64 1gkl h GLU 996 N 1.03 0.98 -0.58 0.00 5.08 -0.52 0.35 114.58 120.92 1gkl h GLU 996 Ca 0.28 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1gkl h GLU 996 Cb -0.10 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1gkl h GLU 996 CO -0.06 0.93 0.30 0.00 -1.00 0.00 0.00 179.01 179.18 1gkl h ALA 997 N 1.15 0.74 -0.34 3.43 0.00 -0.76 -0.59 119.26 122.88 1gkl h ALA 997 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1gkl h ALA 997 Cb 0.45 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1gkl h ALA 997 CO 0.02 0.28 0.16 0.82 0.00 0.00 0.00 179.25 180.53 1gkl h ILE 998 N 0.78 1.16 -0.28 0.00 2.04 -0.73 -1.26 117.51 119.22 1gkl h ILE 998 Ca 0.20 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.64 1gkl h ILE 998 Cb 0.07 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 1gkl h ILE 998 CO -0.03 0.17 0.00 0.78 0.00 0.00 0.00 178.15 179.07 1gkl h ASN 999 N 0.42 -0.11 -0.48 1.72 -0.26 -0.65 -2.03 115.58 114.19 1gkl h ASN 999 Ca 0.12 0.06 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1gkl h ASN 999 Cb 0.12 0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.47 1gkl h ASN 999 CO -0.01 -0.02 0.31 0.03 -1.06 0.00 0.00 177.43 176.68 1gkl h ARG 1000N 0.09 0.64 0.00 0.81 3.08 -0.91 -2.40 114.38 115.69 1gkl h ARG 1000Ca 0.13 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1gkl h ARG 1000Cb 0.18 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1gkl h ARG 1000CO -0.23 0.43 -0.23 0.66 -1.07 0.00 0.00 179.97 179.54 1gkl h SER 1001N 0.66 0.00 0.00 7.04 4.64 -0.51 -3.47 113.55 121.91 1gkl h SER 1001Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1gkl h SER 1001Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1gkl h SER 1001CO -0.04 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 1gkl n GLY 1002N -0.06 0.90 3.77 -0.77 0.00 -0.91 -5.00 105.19 103.13 1gkl n GLY 1002Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1gkl n GLY 1002CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gkl s LEU 1003N 0.00 3.75 0.67 0.99 1.43 -1.25 -5.04 118.68 119.23 1gkl s LEU 1003Ca 0.00 2.22 -0.09 0.00 -1.03 0.00 0.00 54.13 55.23 1gkl s LEU 1003Cb 0.00 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.67 1gkl s LEU 1003CO 0.00 -1.26 1.02 -0.94 0.23 0.00 0.00 176.35 175.40 1gkl s SER 1004N -1.72 5.37 0.00 2.29 1.04 -1.26 -4.93 113.70 114.49 1gkl s SER 1004Ca 0.73 0.89 0.08 0.00 0.48 0.00 0.00 55.95 58.13 1gkl s SER 1004Cb -0.25 -1.72 0.34 0.00 0.10 0.00 0.00 66.02 64.49 1gkl s SER 1004CO 0.28 -1.31 1.23 0.29 0.98 0.00 0.00 173.24 174.72 1gkl n LYS 1005N -2.87 0.02 -0.30 4.02 5.02 -1.26 -1.44 118.16 121.34 1gkl n LYS 1005Ca 0.06 0.35 0.10 0.00 -2.02 0.00 0.00 58.31 56.79 1gkl n LYS 1005Cb 0.58 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.35 1gkl n LYS 1005CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1gkl n ARG 1006N -1.47 2.39 0.00 1.97 5.12 -1.26 -4.30 116.66 119.11 1gkl n ARG 1006Ca 0.02 -2.16 0.00 0.00 -1.93 0.00 0.00 57.85 53.78 1gkl n ARG 1006Cb 0.09 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 29.92 1gkl n ARG 1006CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1gkl n GLU 1007N 1.26 0.91 -3.76 5.56 1.02 -0.52 -4.97 120.64 120.14 1gkl n GLU 1007Ca 0.20 -0.93 -0.13 0.00 -0.02 0.00 0.00 57.16 56.28 1gkl n GLU 1007Cb 0.51 -0.95 -0.09 0.00 -0.02 0.00 0.00 31.44 30.89 1gkl n GLU 1007CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1gkl s TYR 1008N -0.45 -0.20 -0.08 -0.32 -0.85 -1.26 -4.69 117.35 109.50 1gkl s TYR 1008Ca 0.00 0.33 -0.05 0.00 -0.52 0.00 0.00 57.07 56.83 1gkl s TYR 1008Cb 0.00 0.10 0.04 0.00 0.38 0.00 0.00 41.96 42.47 1gkl s TYR 1008CO 0.00 -0.36 0.20 -0.06 -1.52 0.00 0.00 175.55 173.80 1gkl s PHE 1009N -1.16 -0.24 -0.17 -3.49 0.40 0.16 -4.82 117.98 108.66 1gkl s PHE 1009Ca -0.12 0.61 0.00 0.00 -0.60 0.00 0.00 56.93 56.82 1gkl s PHE 1009Cb -0.05 0.01 0.03 0.00 0.51 0.00 0.00 43.02 43.53 1gkl s PHE 1009CO 0.04 -0.17 -0.11 0.08 0.70 0.00 0.00 175.22 175.75 1gkl s VAL 1010N 0.89 1.53 -0.46 -0.44 1.01 -0.29 -0.94 120.40 121.70 1gkl s VAL 1010Ca -0.07 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1gkl s VAL 1010Cb -0.08 -1.54 0.12 0.00 0.00 0.00 0.00 36.38 34.88 1gkl s VAL 1010CO -0.05 0.30 0.22 0.12 0.00 0.00 0.00 175.10 175.69 1gkl s PHE 1011N 1.47 3.49 0.34 5.22 2.19 -0.12 -1.28 117.98 129.29 1gkl s PHE 1011Ca 0.02 -2.86 -0.07 0.00 0.33 0.00 0.00 56.93 54.35 1gkl s PHE 1011Cb -0.14 -3.02 -0.05 0.00 -1.31 0.00 0.00 43.02 38.49 1gkl s PHE 1011CO -0.09 -0.88 0.64 0.00 1.83 0.00 0.00 175.22 176.72 1gkl s ALA 1012N 0.43 3.52 0.01 11.12 0.00 -0.05 -3.84 121.76 132.94 1gkl s ALA 1012Ca 0.13 -0.44 -0.22 0.00 0.00 0.00 0.00 51.96 51.43 1gkl s ALA 1012Cb -0.22 -2.45 0.05 0.00 0.00 0.00 0.00 23.12 20.49 1gkl s ALA 1012CO -0.04 0.12 0.49 0.00 0.00 0.00 0.00 175.76 176.33 1gkl s ALA 1013N -2.22 -1.26 0.33 0.00 0.00 -0.76 -1.00 121.76 116.85 1gkl s ALA 1013Ca 0.47 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.95 1gkl s ALA 1013Cb -0.10 0.20 0.06 0.00 0.00 0.00 0.00 23.12 23.28 1gkl s ALA 1013CO 0.31 -0.40 0.79 -2.37 0.00 0.00 0.00 175.76 174.08 1gkl n THR 1014N 0.76 0.00 -3.93 0.00 5.66 -0.29 -0.71 114.28 115.77 1gkl n THR 1014Ca -0.19 -0.85 -0.30 0.00 -3.05 0.00 0.00 64.05 59.66 1gkl n THR 1014Cb 0.58 0.89 -0.04 0.00 -1.55 0.00 0.00 70.33 70.21 1gkl n THR 1014CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1gkl s GLY 1015N -3.02 2.10 0.51 1.09 0.00 -1.26 -0.97 107.32 105.77 1gkl s GLY 1015Ca 0.16 -0.88 0.33 0.00 0.00 0.00 0.00 44.72 44.33 1gkl s GLY 1015CO 0.10 -0.87 1.99 1.48 0.00 0.00 0.00 173.10 175.81 1gkl h SER 1016N 2.93 0.00 -0.27 1.64 4.64 -0.86 -1.96 113.55 119.68 1gkl h SER 1016Ca -0.46 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 1gkl h SER 1016Cb 1.17 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1gkl h SER 1016CO 0.74 0.00 -0.01 -0.62 -0.87 0.00 0.00 176.83 176.07 1gkl n GLU 1017N -2.91 2.55 -3.59 4.77 -0.58 -0.19 -4.87 120.64 115.82 1gkl n GLU 1017Ca 0.00 -2.90 -0.37 0.00 -0.42 0.00 0.00 57.16 53.48 1gkl n GLU 1017Cb 0.24 -1.82 -0.09 0.00 -0.57 0.00 0.00 31.44 29.21 1gkl n GLU 1017CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1gkl s ASP 1018N -2.13 6.19 0.54 1.62 -1.08 -0.74 -4.38 116.67 116.70 1gkl s ASP 1018Ca 0.42 0.21 0.33 0.00 -0.52 0.00 0.00 52.55 52.99 1gkl s ASP 1018Cb 0.35 -2.14 1.49 0.00 -1.46 0.00 0.00 42.92 41.17 1gkl s ASP 1018CO 0.06 0.02 1.86 0.16 0.52 0.00 0.00 175.17 177.80 1gkl h ILE 1019N 5.04 0.49 0.00 4.11 3.07 -1.93 -0.23 117.51 128.07 1gkl h ILE 1019Ca -0.37 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.03 1gkl h ILE 1019Cb 1.17 0.51 -0.00 0.00 -0.27 0.00 0.00 36.82 38.23 1gkl h ILE 1019CO 0.67 0.00 -0.03 0.00 -1.05 0.00 0.00 178.15 177.74 1gkl h ALA 1020N 1.49 1.43 -0.88 0.16 0.00 -1.91 -2.26 119.26 117.29 1gkl h ALA 1020Ca 0.44 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.46 1gkl h ALA 1020Cb 1.82 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.54 1gkl h ALA 1020CO -0.00 0.03 0.57 -0.92 0.00 0.00 0.00 179.25 178.93 1gkl h TYR 1021N 0.00 0.82 -0.84 0.00 5.03 -1.29 0.34 116.97 121.04 1gkl h TYR 1021Ca -0.00 0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.44 1gkl h TYR 1021Cb 0.08 -0.26 -0.08 0.00 1.55 0.00 0.00 36.73 38.02 1gkl h TYR 1021CO 0.00 0.31 0.47 0.00 -1.32 0.00 0.00 178.16 177.62 1gkl h ALA 1022N 1.60 1.21 0.00 1.82 0.00 -1.60 -0.34 119.26 121.94 1gkl h ALA 1022Ca 0.44 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 55.22 1gkl h ALA 1022Cb 0.68 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1gkl h ALA 1022CO -0.20 0.05 -2.18 0.09 0.00 0.00 0.00 179.25 177.01 1gkl n ASN 1023N -4.77 0.02 -0.08 0.00 3.02 -1.04 -4.40 115.26 108.00 1gkl n ASN 1023Ca 0.15 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.58 1gkl n ASN 1023Cb 0.32 1.53 -0.05 0.00 -0.61 0.00 0.00 39.78 40.97 1gkl n ASN 1023CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1gkl h MET 1024N 0.00 0.46 -0.19 3.52 2.86 -0.71 -3.20 114.93 117.67 1gkl h MET 1024Ca -0.26 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.22 1gkl h MET 1024Cb 1.58 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 33.20 1gkl h MET 1024CO 0.01 0.71 0.04 -0.97 1.06 0.00 0.00 176.91 177.76 1gkl h ASN 1025N 0.19 0.01 -0.79 1.22 -1.24 -1.27 0.95 115.58 114.65 1gkl h ASN 1025Ca 0.06 0.03 0.02 0.00 0.71 0.00 0.00 56.30 57.12 1gkl h ASN 1025Cb 0.55 0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.60 1gkl h ASN 1025CO 0.03 0.03 0.52 -0.65 -1.29 0.00 0.00 177.43 176.07 1gkl h PRO 1026N 0.12 0.99 -0.36 6.67 0.11 -1.77 -0.91 132.00 136.85 1gkl h PRO 1026Ca 0.09 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 1gkl h PRO 1026Cb 0.08 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 1gkl h PRO 1026CO -0.12 0.66 0.06 0.37 -0.21 0.00 0.00 178.00 178.76 1gkl h GLN 1027N 1.02 0.60 -0.60 1.05 4.15 -1.34 -1.54 115.11 118.45 1gkl h GLN 1027Ca 0.30 -0.16 0.01 0.00 0.77 0.00 0.00 58.65 59.57 1gkl h GLN 1027Cb -0.04 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 1gkl h GLN 1027CO -0.08 0.67 0.40 0.82 -1.93 0.00 0.00 178.83 178.71 1gkl h ILE 1028N 0.44 1.15 -0.72 2.39 1.08 -0.37 -0.71 117.51 120.77 1gkl h ILE 1028Ca 0.11 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 1gkl h ILE 1028Cb 0.36 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 34.34 1gkl h ILE 1028CO 0.01 0.15 0.40 -0.33 -0.69 0.00 0.00 178.15 177.69 1gkl h GLU 1029N 0.81 1.00 -0.61 2.37 4.39 -1.01 -0.08 114.58 121.45 1gkl h GLU 1029Ca 0.22 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.76 1gkl h GLU 1029Cb -0.09 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.33 1gkl h GLU 1029CO -0.05 0.74 0.16 0.00 -1.16 0.00 0.00 179.01 178.70 1gkl h ALA 1030N 1.20 1.15 -0.23 3.43 0.00 -0.83 -2.69 119.26 121.30 1gkl h ALA 1030Ca 0.25 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 1gkl h ALA 1030Cb 0.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1gkl h ALA 1030CO -0.04 0.58 -0.28 0.52 0.00 0.00 0.00 179.25 180.03 1gkl h MET 1031N 0.90 0.44 -0.35 0.00 2.86 -0.49 -2.84 114.93 115.45 1gkl h MET 1031Ca 0.20 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1gkl h MET 1031Cb 0.30 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1gkl h MET 1031CO -0.00 0.69 0.18 0.87 1.06 0.00 0.00 176.91 179.71 1gkl h LYS 1032N 0.39 0.47 0.00 1.72 1.57 -0.70 -1.80 116.57 118.22 1gkl h LYS 1032Ca 0.05 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1gkl h LYS 1032Cb 0.70 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1gkl h LYS 1032CO 0.05 0.36 0.00 0.00 -0.57 0.00 0.00 179.45 179.29 1gkl n ALA 1033N -2.48 1.93 -1.78 3.86 0.00 -1.07 -4.79 120.51 116.18 1gkl n ALA 1033Ca 0.02 -0.01 -0.37 0.00 0.00 0.00 0.00 53.44 53.08 1gkl n ALA 1033Cb 0.10 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 18.11 1gkl n ALA 1033CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gkl s LEU 1034N -3.77 4.29 0.34 0.00 1.43 -0.68 -4.93 118.68 115.36 1gkl s LEU 1034Ca 0.08 1.90 0.26 0.00 -1.03 0.00 0.00 54.13 55.34 1gkl s LEU 1034Cb 0.12 -4.05 1.17 0.00 0.03 0.00 0.00 46.19 43.46 1gkl s LEU 1034CO 0.43 -0.17 1.78 1.55 0.23 0.00 0.00 176.35 180.17 1gkl h PRO 1035N 3.02 0.00 0.00 1.29 0.13 -1.87 -3.01 132.00 131.56 1gkl h PRO 1035Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1gkl h PRO 1035Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1gkl h PRO 1035CO 0.64 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.86 1gkl h HIS 1036N 0.00 0.00 -3.85 1.56 3.86 -1.91 -3.43 115.15 111.38 1gkl h HIS 1036Ca 0.00 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 1gkl h HIS 1036Cb 0.29 0.00 -0.32 0.00 1.06 0.00 0.00 27.41 28.45 1gkl h HIS 1036CO 0.00 0.00 -0.85 -0.06 0.86 0.00 0.00 177.93 177.88 1gkl s PHE 1037N -3.51 1.87 -0.31 2.45 0.08 -1.14 -4.81 117.98 112.61 1gkl s PHE 1037Ca 0.02 -0.57 -0.04 0.00 0.12 0.00 0.00 56.93 56.46 1gkl s PHE 1037Cb 0.09 -1.26 0.04 0.00 -0.57 0.00 0.00 43.02 41.32 1gkl s PHE 1037CO 0.44 -0.20 0.04 -0.51 -0.10 0.00 0.00 175.22 174.89 1gkl s ASP 1038N 0.06 5.02 -0.25 1.36 1.01 -1.26 -4.83 116.67 117.78 1gkl s ASP 1038Ca -0.05 -1.13 -0.29 0.00 0.71 0.00 0.00 52.55 51.79 1gkl s ASP 1038Cb -0.13 -1.78 0.01 0.00 1.01 0.00 0.00 42.92 42.03 1gkl s ASP 1038CO 0.03 -0.27 1.10 -0.47 0.21 0.00 0.00 175.17 175.77 1gkl s TYR 1039N 1.34 3.17 0.00 4.23 5.04 -1.26 -1.10 117.35 128.77 1gkl s TYR 1039Ca -0.03 1.28 0.00 0.00 -2.44 0.00 0.00 57.07 55.89 1gkl s TYR 1039Cb -0.19 -3.46 0.00 0.00 0.35 0.00 0.00 41.96 38.66 1gkl s TYR 1039CO 0.00 -0.83 0.00 -2.37 -1.34 0.00 0.00 175.55 171.02 1gkl n THR 1040N 5.54 0.00 1.30 4.34 5.66 0.51 -4.95 114.28 126.68 1gkl n THR 1040Ca 0.12 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.27 1gkl n THR 1040Cb 0.46 0.00 0.63 0.00 -1.55 0.00 0.00 70.33 69.88 1gkl n THR 1040CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1gkl n SER 1041N 0.00 0.22 -4.53 1.09 3.41 -0.68 -3.57 113.62 109.56 1gkl n SER 1041Ca 0.00 -0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 58.00 1gkl n SER 1041Cb 0.00 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 1gkl n SER 1041CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1gkl s ASP 1042N -2.65 6.38 0.00 4.04 -1.08 -1.03 -4.68 116.67 117.64 1gkl s ASP 1042Ca 0.24 -1.17 0.22 0.00 -0.52 0.00 0.00 52.55 51.33 1gkl s ASP 1042Cb 0.20 -2.53 1.27 0.00 -1.46 0.00 0.00 42.92 40.39 1gkl s ASP 1042CO 0.50 -1.55 1.70 0.49 0.52 0.00 0.00 175.17 176.83 1gkl n PHE 1043N 8.61 0.00 0.85 -5.34 3.72 -1.26 -1.08 117.46 122.96 1gkl n PHE 1043Ca 0.19 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.72 1gkl n PHE 1043Cb 0.50 -0.07 0.53 0.00 -0.94 0.00 0.00 39.48 39.49 1gkl n PHE 1043CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1gkl n SER 1044N -1.07 0.34 -0.01 4.37 3.41 -1.26 -4.14 113.62 115.25 1gkl n SER 1044Ca 0.15 0.53 -0.01 0.00 -0.26 0.00 0.00 58.87 59.28 1gkl n SER 1044Cb 0.10 -0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 63.42 1gkl n SER 1044CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1gkl n LYS 1045N -1.81 2.36 -0.87 4.33 5.02 -0.24 -5.12 118.16 121.82 1gkl n LYS 1045Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1gkl n LYS 1045Cb 0.38 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 1gkl n LYS 1045CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gkl n GLY 1046N 3.10 3.93 0.39 0.72 0.00 -0.64 -5.02 105.19 107.68 1gkl n GLY 1046Ca -0.03 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1gkl n GLY 1046CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gkl n ASN 1047N -1.22 0.00 -3.68 1.61 6.94 -0.26 -4.17 115.26 114.48 1gkl n ASN 1047Ca 0.00 -1.27 -0.10 0.00 -0.02 0.00 0.00 54.58 53.20 1gkl n ASN 1047Cb 0.00 -0.05 -0.10 0.00 -2.36 0.00 0.00 39.78 37.27 1gkl n ASN 1047CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1gkl s PHE 1048N 0.00 -0.70 0.02 -2.53 5.36 -1.10 -1.14 117.98 117.89 1gkl s PHE 1048Ca 0.00 1.43 -0.14 0.00 -0.96 0.00 0.00 56.93 57.26 1gkl s PHE 1048Cb 0.00 0.32 0.02 0.00 -0.34 0.00 0.00 43.02 43.02 1gkl s PHE 1048CO 0.00 -0.39 0.30 -0.47 -1.46 0.00 0.00 175.22 173.20 1gkl s TYR 1049N 1.63 -0.13 -0.26 10.12 5.04 -0.41 -0.37 117.35 132.98 1gkl s TYR 1049Ca -0.08 0.09 -0.01 0.00 -2.44 0.00 0.00 57.07 54.62 1gkl s TYR 1049Cb -0.09 0.09 0.08 0.00 0.35 0.00 0.00 41.96 42.39 1gkl s TYR 1049CO -0.14 -0.45 0.06 0.12 -1.34 0.00 0.00 175.55 173.80 1gkl s PHE 1050N -1.98 1.52 -0.19 4.97 5.36 -1.26 -0.88 117.98 125.53 1gkl s PHE 1050Ca -0.09 -1.41 -0.21 0.00 -0.96 0.00 0.00 56.93 54.26 1gkl s PHE 1050Cb -0.03 -1.44 -0.02 0.00 -0.34 0.00 0.00 43.02 41.19 1gkl s PHE 1050CO 0.00 -0.77 0.65 -1.17 -1.46 0.00 0.00 175.22 172.47 1gkl s LEU 1051N 1.69 4.15 -0.23 6.12 0.20 -0.17 -4.97 118.68 125.46 1gkl s LEU 1051Ca 0.04 0.87 -0.00 0.00 0.69 0.00 0.00 54.13 55.72 1gkl s LEU 1051Cb -0.17 -2.92 0.03 0.00 -0.43 0.00 0.00 46.19 42.70 1gkl s LEU 1051CO -0.17 -0.28 -0.10 -0.69 -0.29 0.00 0.00 176.35 174.82 1gkl s VAL 1052N 1.90 2.55 -0.31 1.68 1.01 -1.26 -1.14 120.40 124.84 1gkl s VAL 1052Ca 0.30 -1.11 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 1gkl s VAL 1052Cb -0.16 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1gkl s VAL 1052CO 0.11 0.25 0.82 0.00 0.00 0.00 0.00 175.10 176.27 1gkl s ALA 1053N 1.28 3.52 0.08 5.51 0.00 -0.14 -4.77 121.76 127.24 1gkl s ALA 1053Ca -0.00 -0.39 -0.32 0.00 0.00 0.00 0.00 51.96 51.25 1gkl s ALA 1053Cb -0.16 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.50 1gkl s ALA 1053CO -0.07 -1.25 1.84 -2.30 0.00 0.00 0.00 175.76 173.99 1gkl n PRO 1054N 6.29 2.66 -0.12 0.00 -0.02 -1.26 -0.55 135.00 141.99 1gkl n PRO 1054Ca 0.05 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.50 1gkl n PRO 1054Cb 0.48 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 1gkl n PRO 1054CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gkl n GLY 1055N 4.23 2.21 3.77 -1.23 0.00 -1.26 -4.86 105.19 108.05 1gkl n GLY 1055Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1gkl n GLY 1055CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gkl s ALA 1056N -2.93 3.24 0.52 4.61 0.00 -1.03 -4.58 121.76 121.59 1gkl s ALA 1056Ca 0.00 0.69 0.06 0.00 0.00 0.00 0.00 51.96 52.72 1gkl s ALA 1056Cb 0.00 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.90 1gkl s ALA 1056CO 0.00 -0.04 0.43 0.95 0.00 0.00 0.00 175.76 177.10 1gkl s THR 1057N -1.45 1.89 -1.18 0.00 -4.23 -1.26 -1.03 115.64 108.38 1gkl s THR 1057Ca 0.50 -1.43 -0.20 0.00 -1.18 0.00 0.00 61.69 59.38 1gkl s THR 1057Cb -0.24 -2.31 0.03 0.00 1.34 0.00 0.00 72.50 71.32 1gkl s THR 1057CO 0.31 0.00 1.71 -2.28 -0.54 0.00 0.00 174.62 173.82 1gkl s HIS 1058N -2.71 2.52 -0.25 3.99 2.46 -1.26 -4.77 115.29 115.28 1gkl s HIS 1058Ca 0.39 -0.95 -0.20 0.00 0.47 0.00 0.00 55.06 54.78 1gkl s HIS 1058Cb -0.02 -4.58 0.07 0.00 -0.13 0.00 0.00 32.58 27.92 1gkl s HIS 1058CO 0.24 -1.75 0.65 -0.46 -2.47 0.00 0.00 174.74 170.96 1gkl s TRP 1059N 5.87 -0.81 0.58 3.88 -0.00 -1.26 -5.03 118.94 122.17 1gkl s TRP 1059Ca 0.55 1.84 0.28 0.00 -0.00 0.00 0.00 56.10 58.77 1gkl s TRP 1059Cb 0.01 0.36 1.55 0.00 -0.00 0.00 0.00 33.47 35.39 1gkl s TRP 1059CO 0.04 -0.40 2.00 -1.49 -0.00 0.00 0.00 176.95 177.10 1gkl h TRP 1060N 5.77 0.00 -0.68 5.86 4.06 -1.91 -1.18 115.95 127.86 1gkl h TRP 1060Ca -0.30 0.00 0.08 0.00 2.06 0.00 0.00 58.89 60.73 1gkl h TRP 1060Cb 1.18 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.30 1gkl h TRP 1060CO 0.29 0.00 0.45 0.78 -3.56 0.00 0.00 178.44 176.40 1gkl h GLY 1061N 0.00 0.83 0.39 1.49 0.00 -1.94 -1.65 103.07 102.19 1gkl h GLY 1061Ca 0.16 -0.25 -0.31 0.00 0.00 0.00 0.00 47.33 46.93 1gkl h GLY 1061CO -0.00 0.17 -1.67 -0.97 0.00 0.00 0.00 176.54 174.06 1gkl h TYR 1062N 0.62 0.31 -0.41 5.60 0.05 -1.54 -3.41 116.97 118.19 1gkl h TYR 1062Ca 0.30 -0.23 0.00 0.00 0.05 0.00 0.00 58.73 58.86 1gkl h TYR 1062Cb 0.38 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.09 1gkl h TYR 1062CO -0.00 1.66 0.27 0.28 -1.05 0.00 0.00 178.16 179.32 1gkl h VAL 1063N -0.36 1.11 -0.61 -2.88 2.07 -1.07 -0.26 116.25 114.25 1gkl h VAL 1063Ca -0.39 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.03 1gkl h VAL 1063Cb 1.75 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1gkl h VAL 1063CO -0.02 0.10 0.41 0.08 0.02 0.00 0.00 177.57 178.16 1gkl h ARG 1064N 0.56 0.46 0.00 1.57 0.11 -1.53 -0.13 114.38 115.42 1gkl h ARG 1064Ca 0.15 -0.03 -0.08 0.00 0.10 0.00 0.00 59.98 60.12 1gkl h ARG 1064Cb -0.06 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 30.90 1gkl h ARG 1064CO -0.03 0.30 -0.39 0.45 0.10 0.00 0.00 179.97 180.40 1gkl h HIS 1065N 0.47 0.00 -0.46 4.08 3.86 -1.28 -2.00 115.15 119.82 1gkl h HIS 1065Ca 0.28 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.40 1gkl h HIS 1065Cb 0.48 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 1gkl h HIS 1065CO -0.00 0.39 -0.06 1.88 0.86 0.00 0.00 177.93 181.00 1gkl h TYR 1066N 0.00 0.88 -0.40 2.45 0.05 -0.96 -0.50 116.97 118.49 1gkl h TYR 1066Ca -0.00 -0.15 -0.07 0.00 0.05 0.00 0.00 58.73 58.56 1gkl h TYR 1066Cb 0.84 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.34 1gkl h TYR 1066CO 0.00 0.84 -0.02 0.82 -1.05 0.00 0.00 178.16 178.75 1gkl h ILE 1067N 0.74 1.26 -0.91 -2.88 2.04 -1.25 0.38 117.51 116.89 1gkl h ILE 1067Ca 0.13 -1.05 0.11 0.00 1.00 0.00 0.00 64.86 65.05 1gkl h ILE 1067Cb 0.54 1.15 -0.08 0.00 -0.74 0.00 0.00 36.82 37.69 1gkl h ILE 1067CO 0.03 0.36 0.55 0.22 0.00 0.00 0.00 178.15 179.30 1gkl h TYR 1068N 0.54 0.99 -0.00 1.37 3.20 -1.05 0.61 116.97 122.62 1gkl h TYR 1068Ca 0.11 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 61.76 1gkl h TYR 1068Cb 0.51 -0.31 0.01 0.00 1.54 0.00 0.00 36.73 38.49 1gkl h TYR 1068CO 0.04 0.40 -0.99 -0.44 -1.64 0.00 0.00 178.16 175.52 1gkl h ASP 1069N 0.89 0.75 0.17 -2.11 3.32 -0.70 -3.39 116.42 115.34 1gkl h ASP 1069Ca 0.45 -0.60 -0.36 0.00 0.02 0.00 0.00 57.03 56.54 1gkl h ASP 1069Cb 0.43 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1gkl h ASP 1069CO -0.26 1.40 -1.97 0.00 -1.72 0.00 0.00 179.24 176.69 1gkl n ALA 1070N -2.60 0.96 -0.12 3.45 0.00 0.09 -4.38 120.51 117.91 1gkl n ALA 1070Ca -0.09 -0.61 0.03 0.00 0.00 0.00 0.00 53.44 52.77 1gkl n ALA 1070Cb 0.86 -0.70 0.33 0.00 0.00 0.00 0.00 19.45 19.94 1gkl n ALA 1070CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1gkl h LEU 1071N 0.06 0.67 -1.82 0.00 5.85 -1.07 -0.17 115.31 118.84 1gkl h LEU 1071Ca -0.41 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1gkl h LEU 1071Cb 2.03 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.90 1gkl h LEU 1071CO 0.09 0.48 0.00 -0.65 -0.34 0.00 0.00 178.44 178.02 1gkl h PRO 1072N 0.79 0.00 0.00 5.25 0.11 -1.76 -1.75 132.00 134.64 1gkl h PRO 1072Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1gkl h PRO 1072Cb -0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.06 1gkl h PRO 1072CO -0.05 0.00 -0.19 0.66 -0.21 0.00 0.00 178.00 178.20 1gkl n TYR 1073N -2.48 0.15 -3.41 0.65 4.02 -0.08 -4.93 117.16 111.09 1gkl n TYR 1073Ca -0.02 0.04 -0.32 0.00 -0.01 0.00 0.00 57.90 57.59 1gkl n TYR 1073Cb 0.05 -0.49 -0.05 0.00 -0.02 0.00 0.00 39.34 38.83 1gkl n TYR 1073CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1gkl s PHE 1074N -3.02 3.43 -0.34 -0.72 0.40 -0.66 -4.56 117.98 112.51 1gkl s PHE 1074Ca 0.12 0.89 0.00 0.00 -0.60 0.00 0.00 56.93 57.34 1gkl s PHE 1074Cb 0.17 -2.27 0.00 0.00 0.51 0.00 0.00 43.02 41.43 1gkl s PHE 1074CO 0.60 0.28 0.00 1.19 0.70 0.00 0.00 175.22 177.99 1gkl n PHE 1075N -0.08 -0.06 0.42 0.36 3.72 -1.26 -4.92 117.46 115.65 1gkl n PHE 1075Ca 0.00 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.49 1gkl n PHE 1075Cb 0.52 -1.17 -0.12 0.00 -0.94 0.00 0.00 39.48 37.78 1gkl n PHE 1075CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1gkl n HIS 1076N -3.30 0.00 -2.85 1.38 8.25 -1.26 -4.59 115.22 112.85 1gkl n HIS 1076Ca -0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 1gkl n HIS 1076Cb 0.26 -0.20 -0.04 0.00 1.12 0.00 0.00 29.99 31.13 1gkl n HIS 1076CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1gkl s GLU 1077N -2.97 4.38 -1.69 -0.41 0.41 -1.26 -3.00 118.70 114.16 1gkl s GLU 1077Ca 0.00 1.13 0.00 0.00 -0.41 0.00 0.00 54.97 55.69 1gkl s GLU 1077Cb 0.13 -3.53 0.00 0.00 -1.78 0.00 0.00 34.13 28.94 1gkl s GLU 1077CO 0.75 -0.23 0.00 1.28 -0.49 0.00 0.00 175.26 176.56 1gkl n LEU 1078N 4.81 -1.80 -4.82 1.80 4.77 -1.26 -4.98 117.00 115.53 1gkl n LEU 1078Ca 0.05 0.05 -0.31 0.00 -0.03 0.00 0.00 56.01 55.77 1gkl n LEU 1078Cb 0.49 -2.72 0.05 0.00 -2.33 0.00 0.00 43.42 38.92 1gkl n LEU 1078CO 0.49 -0.32 0.71 -1.83 -1.33 0.00 0.00 177.39 175.12 1gkl s GLU 1079N -4.75 2.89 0.10 3.23 -1.05 -1.16 -4.98 118.70 112.98 1gkl s GLU 1079Ca 0.00 0.93 0.23 0.00 -0.15 0.00 0.00 54.97 55.98 1gkl s GLU 1079Cb 0.00 -1.99 0.15 0.00 -0.44 0.00 0.00 34.13 31.85 1gkl s GLU 1079CO 0.00 -1.12 1.13 0.72 0.95 0.00 0.00 175.26 176.94 1gkl n HIS 1080N -3.14 0.51 -2.59 4.83 8.25 -1.26 -4.86 115.22 116.95 1gkl n HIS 1080Ca 0.07 0.15 -0.29 0.00 -0.26 0.00 0.00 57.72 57.40 1gkl n HIS 1080Cb 0.54 -0.63 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 1gkl n HIS 1080CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1gkl s HIS 1081N -3.23 3.55 -0.73 4.41 3.76 -1.26 -5.01 115.29 116.78 1gkl s HIS 1081Ca 0.04 0.93 -0.19 0.00 -0.15 0.00 0.00 55.06 55.69 1gkl s HIS 1081Cb 0.13 -2.39 0.12 0.00 1.11 0.00 0.00 32.58 31.55 1gkl s HIS 1081CO 0.77 -0.29 0.87 -1.58 -0.85 0.00 0.00 174.74 173.66 1gkl s HIS 1082N -2.71 3.10 0.11 1.40 2.46 -1.26 -5.01 115.29 113.38 1gkl s HIS 1082Ca 0.49 -1.17 0.09 0.00 0.47 0.00 0.00 55.06 54.94 1gkl s HIS 1082Cb -0.10 -4.10 -0.04 0.00 -0.13 0.00 0.00 32.58 28.21 1gkl s HIS 1082CO 0.43 -1.36 -0.23 -1.01 -2.47 0.00 0.00 174.74 170.10 1gkl s HIS 1083N 2.51 1.94 -0.31 3.88 4.02 -1.26 -5.12 115.29 120.95 1gkl s HIS 1083Ca 0.20 -0.41 -0.02 0.00 1.02 0.00 0.00 55.06 55.85 1gkl s HIS 1083Cb -0.16 -1.06 0.05 0.00 -1.02 0.00 0.00 32.58 30.39 1gkl s HIS 1083CO 0.00 0.24 0.02 -1.01 1.02 0.00 0.00 174.74 175.01 1gkl s HIS 1084N -1.13 3.28 -0.46 1.40 3.76 -1.26 -5.17 115.29 115.71 1gkl s HIS 1084Ca 0.09 -1.85 0.04 0.00 -0.15 0.00 0.00 55.06 53.18 1gkl s HIS 1084Cb -0.10 -2.17 0.03 0.00 1.11 0.00 0.00 32.58 31.45 1gkl s HIS 1084CO 0.05 -0.80 0.62 0.72 -0.85 0.00 0.00 174.74 174.47