#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbt n PRO 781 N 0.00 0.00 0.00 1.61 -0.04 -1.26 -4.93 135.00 130.38 2kbt n PRO 781 Ca 0.00 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 2kbt n PRO 781 Cb 0.00 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 2kbt n PRO 781 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kbt n GLY 782 N 1.33 1.05 0.00 0.55 0.00 -1.26 -4.86 105.19 101.99 2kbt n GLY 782 Ca 0.00 -0.93 0.14 0.00 0.00 0.00 0.00 46.02 45.24 2kbt n GLY 782 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2kbt n THR 783 N 0.00 0.01 -2.61 2.61 -1.04 -1.26 -4.80 114.28 107.18 2kbt n THR 783 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 2kbt n THR 783 Cb 0.00 -0.55 0.06 0.00 -1.82 0.00 0.00 70.33 68.02 2kbt n THR 783 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2kbt s PHE 784 N -2.03 2.45 0.00 -1.42 0.08 -1.26 -5.02 117.98 110.78 2kbt s PHE 784 Ca 0.42 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.39 2kbt s PHE 784 Cb 0.20 -2.83 0.00 0.00 -0.57 0.00 0.00 43.02 39.81 2kbt s PHE 784 CO 0.34 -1.16 0.00 0.41 -0.10 0.00 0.00 175.22 174.71 2kbt n GLY 785 N -2.52 -1.43 3.80 4.36 0.00 -1.26 -4.09 105.19 104.05 2kbt n GLY 785 Ca 0.10 0.58 -0.09 0.00 0.00 0.00 0.00 46.02 46.62 2kbt n GLY 785 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kbt s THR 786 N 0.00 0.00 -0.17 2.61 -4.23 -1.26 -3.82 115.64 108.78 2kbt s THR 786 Ca 0.00 -1.01 -0.04 0.00 -1.18 0.00 0.00 61.69 59.46 2kbt s THR 786 Cb 0.00 -2.87 0.07 0.00 1.34 0.00 0.00 72.50 71.04 2kbt s THR 786 CO 0.00 0.00 0.15 0.00 -0.54 0.00 0.00 174.62 174.23 2kbt s ALA 787 N -2.34 0.06 -0.26 3.99 0.00 0.25 -3.82 121.76 119.64 2kbt s ALA 787 Ca 0.16 0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 2kbt s ALA 787 Cb -0.05 -1.10 0.01 0.00 0.00 0.00 0.00 23.12 21.98 2kbt s ALA 787 CO 0.12 -1.07 1.10 0.21 0.00 0.00 0.00 175.76 176.11 2kbt s LYS 788 N 2.24 4.16 0.36 0.00 2.20 0.28 0.17 119.74 129.14 2kbt s LYS 788 Ca 0.04 1.28 -0.28 0.00 -0.36 0.00 0.00 55.97 56.65 2kbt s LYS 788 Cb -0.15 -3.71 -0.11 0.00 -1.51 0.00 0.00 37.83 32.35 2kbt s LYS 788 CO -0.09 -0.77 1.49 0.00 -0.36 0.00 0.00 175.35 175.61 2kbt s ALA 789 N 3.48 3.59 -0.21 3.13 0.00 0.13 -1.36 121.76 130.53 2kbt s ALA 789 Ca 0.47 1.54 0.02 0.00 0.00 0.00 0.00 51.96 53.99 2kbt s ALA 789 Cb -0.15 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.38 2kbt s ALA 789 CO 0.12 -1.01 0.43 0.54 0.00 0.00 0.00 175.76 175.84 2kbt n ARG 790 N 0.77 1.20 -3.74 0.00 5.12 -1.11 -3.18 116.66 115.73 2kbt n ARG 790 Ca 0.02 -0.45 -0.14 0.00 -1.93 0.00 0.00 57.85 55.35 2kbt n ARG 790 Cb 0.39 -0.92 -0.14 0.00 -1.16 0.00 0.00 32.46 30.63 2kbt n ARG 790 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2kbt s TYR 791 N -0.44 -0.19 -0.65 -1.55 1.51 -1.24 -4.89 117.35 109.89 2kbt s TYR 791 Ca 0.02 0.54 -0.26 0.00 -1.01 0.00 0.00 57.07 56.36 2kbt s TYR 791 Cb 0.02 -0.07 -0.06 0.00 -0.11 0.00 0.00 41.96 41.73 2kbt s TYR 791 CO 0.04 -0.18 2.14 -0.51 -1.11 0.00 0.00 175.55 175.93 2kbt s ASP 792 N 1.26 4.75 0.85 2.29 1.01 -1.26 -4.04 116.67 121.52 2kbt s ASP 792 Ca -0.08 0.36 -0.11 0.00 0.71 0.00 0.00 52.55 53.43 2kbt s ASP 792 Cb -0.11 -2.53 0.14 0.00 1.01 0.00 0.00 42.92 41.43 2kbt s ASP 792 CO -0.06 -2.85 1.18 0.12 0.21 0.00 0.00 175.17 173.77 2kbt s PHE 793 N 11.22 2.08 -0.27 4.23 5.36 -0.99 -4.93 117.98 134.68 2kbt s PHE 793 Ca 0.82 0.31 -0.00 0.00 -0.96 0.00 0.00 56.93 57.10 2kbt s PHE 793 Cb -0.13 -3.65 0.15 0.00 -0.34 0.00 0.00 43.02 39.05 2kbt s PHE 793 CO 0.17 -2.10 0.41 0.00 -1.46 0.00 0.00 175.22 172.23 2kbt s ALA 795 N 2.57 3.55 -0.16 0.00 0.00 -1.26 -4.90 121.76 121.55 2kbt s ALA 795 Ca 0.12 1.12 0.18 0.00 0.00 0.00 0.00 51.96 53.37 2kbt s ALA 795 Cb -0.14 -3.50 -0.26 0.00 0.00 0.00 0.00 23.12 19.21 2kbt s ALA 795 CO -0.23 -0.57 0.45 2.89 0.00 0.00 0.00 175.76 178.31 2kbt n ARG 796 N 3.05 0.66 -4.14 0.00 -4.01 -1.26 -5.02 116.66 105.95 2kbt n ARG 796 Ca 0.08 -0.14 -0.13 0.00 -1.04 0.00 0.00 57.85 56.62 2kbt n ARG 796 Cb 0.43 -1.41 -0.07 0.00 -3.04 0.00 0.00 32.46 28.37 2kbt n ARG 796 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 2kbt s ASP 797 N -3.83 0.60 0.22 2.89 1.01 -1.26 -5.02 116.67 111.28 2kbt s ASP 797 Ca -0.04 -1.39 0.23 0.00 0.71 0.00 0.00 52.55 52.07 2kbt s ASP 797 Cb 0.12 0.54 0.92 0.00 1.01 0.00 0.00 42.92 45.51 2kbt s ASP 797 CO 0.74 -1.08 1.71 0.54 0.21 0.00 0.00 175.17 177.29 2kbt n ARG 798 N -0.45 0.19 -0.06 8.23 1.74 -1.26 -1.96 116.66 123.09 2kbt n ARG 798 Ca 0.02 0.35 0.05 0.00 -0.77 0.00 0.00 57.85 57.50 2kbt n ARG 798 Cb 0.63 -1.82 0.21 0.00 -1.02 0.00 0.00 32.46 30.47 2kbt n ARG 798 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2kbt n SER 799 N -2.16 0.76 -4.13 0.55 3.41 -1.26 -4.65 113.62 106.14 2kbt n SER 799 Ca 0.03 -1.83 -0.22 0.00 -0.26 0.00 0.00 58.87 56.59 2kbt n SER 799 Cb 0.27 -0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 63.99 2kbt n SER 799 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2kbt s GLU 800 N -1.84 1.10 0.03 4.33 2.12 -0.83 -4.06 118.70 119.55 2kbt s GLU 800 Ca 0.17 -0.62 -0.17 0.00 0.36 0.00 0.00 54.97 54.71 2kbt s GLU 800 Cb 0.09 -1.09 -0.06 0.00 0.26 0.00 0.00 34.13 33.33 2kbt s GLU 800 CO 0.13 0.29 0.50 -1.17 -0.54 0.00 0.00 175.26 174.47 2kbt s LEU 801 N -0.66 4.49 -0.60 2.70 0.20 0.13 -4.52 118.68 120.42 2kbt s LEU 801 Ca 0.04 1.11 -0.28 0.00 0.69 0.00 0.00 54.13 55.70 2kbt s LEU 801 Cb -0.06 -2.76 0.03 0.00 -0.43 0.00 0.00 46.19 42.97 2kbt s LEU 801 CO 0.00 0.27 1.17 -0.55 -0.29 0.00 0.00 176.35 176.96 2kbt s SER 802 N -0.96 6.39 0.14 3.68 0.15 -1.26 -4.42 113.70 117.42 2kbt s SER 802 Ca 0.27 -0.04 0.02 0.00 0.70 0.00 0.00 55.95 56.90 2kbt s SER 802 Cb -0.18 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 2kbt s SER 802 CO 0.16 -1.50 0.28 -0.76 1.20 0.00 0.00 173.24 172.61 2kbt s LEU 803 N 4.94 4.34 -0.27 3.45 1.02 -1.26 -4.83 118.68 126.07 2kbt s LEU 803 Ca 0.40 0.19 -0.06 0.00 0.02 0.00 0.00 54.13 54.68 2kbt s LEU 803 Cb -0.08 -2.92 0.14 0.00 0.02 0.00 0.00 46.19 43.35 2kbt s LEU 803 CO 0.23 0.06 0.55 -0.75 0.02 0.00 0.00 176.35 176.47 2kbt s LYS 804 N -3.15 0.50 0.26 1.70 2.47 -1.26 -2.35 119.74 117.90 2kbt s LYS 804 Ca 0.35 1.11 -0.25 0.00 -1.56 0.00 0.00 55.97 55.62 2kbt s LYS 804 Cb -0.11 0.49 -0.16 0.00 -1.46 0.00 0.00 37.83 36.59 2kbt s LYS 804 CO 0.28 -0.40 0.36 0.39 0.16 0.00 0.00 175.35 176.14 2kbt n GLU 805 N 5.42 0.00 -1.01 4.03 1.02 -1.26 -1.05 120.64 127.80 2kbt n GLU 805 Ca -0.07 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2kbt n GLU 805 Cb 0.50 -0.96 -0.00 0.00 -0.02 0.00 0.00 31.44 30.95 2kbt n GLU 805 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kbt n GLY 806 N 2.04 0.47 3.46 0.62 0.00 -1.19 -4.97 105.19 105.61 2kbt n GLY 806 Ca 0.15 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 2kbt n GLY 806 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kbt s ASP 807 N -2.38 3.57 0.06 1.61 -0.00 -0.21 -4.99 116.67 114.33 2kbt s ASP 807 Ca 0.00 -1.01 0.04 0.00 -0.00 0.00 0.00 52.55 51.58 2kbt s ASP 807 Cb 0.00 -0.29 -0.04 0.00 -0.00 0.00 0.00 42.92 42.59 2kbt s ASP 807 CO 0.00 0.05 -0.00 0.27 -0.00 0.00 0.00 175.17 175.48 2kbt s ILE 808 N -2.42 4.03 -0.21 0.77 -0.00 -1.26 0.21 121.20 122.32 2kbt s ILE 808 Ca 0.29 -0.87 0.02 0.00 -0.00 0.00 0.00 60.65 60.08 2kbt s ILE 808 Cb -0.05 -2.88 0.03 0.00 -0.00 0.00 0.00 42.46 39.56 2kbt s ILE 808 CO 0.14 0.20 -0.17 -0.63 -0.00 0.00 0.00 174.94 174.49 2kbt s ILE 809 N -1.23 2.08 -0.30 8.37 1.09 0.44 -4.84 121.20 126.81 2kbt s ILE 809 Ca 0.24 -1.18 -0.29 0.00 -1.10 0.00 0.00 60.65 58.32 2kbt s ILE 809 Cb -0.12 -2.00 -0.01 0.00 -1.06 0.00 0.00 42.46 39.28 2kbt s ILE 809 CO 0.16 0.33 1.47 -0.75 -0.10 0.00 0.00 174.94 176.05 2kbt s LYS 810 N 1.23 3.75 0.07 2.79 2.47 -1.18 0.87 119.74 129.74 2kbt s LYS 810 Ca 0.00 1.33 -0.31 0.00 -1.56 0.00 0.00 55.97 55.43 2kbt s LYS 810 Cb -0.15 -3.99 -0.07 0.00 -1.46 0.00 0.00 37.83 32.16 2kbt s LYS 810 CO -0.10 -1.34 1.34 0.42 0.16 0.00 0.00 175.35 175.83 2kbt s ILE 811 N 5.09 3.61 0.00 5.43 -1.09 -1.25 -2.72 121.20 130.28 2kbt s ILE 811 Ca 0.64 1.12 0.00 0.00 -2.23 0.00 0.00 60.65 60.18 2kbt s ILE 811 Cb -0.19 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 2kbt s ILE 811 CO 0.28 0.06 0.00 0.18 -1.23 0.00 0.00 174.94 174.23 2kbt n LEU 812 N 4.38 0.42 -4.38 2.97 4.77 0.12 -4.82 117.00 120.47 2kbt n LEU 812 Ca 0.11 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.81 2kbt n LEU 812 Cb 0.44 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.40 2kbt n LEU 812 CO 0.58 0.07 -0.57 0.21 -1.33 0.00 0.00 177.39 176.35 2kbt s ASN 813 N -4.86 3.25 -0.45 -1.43 3.84 -0.14 -4.98 114.94 110.17 2kbt s ASN 813 Ca 0.00 -0.73 0.05 0.00 0.21 0.00 0.00 52.86 52.39 2kbt s ASN 813 Cb 0.00 -0.22 0.19 0.00 -0.55 0.00 0.00 41.25 40.67 2kbt s ASN 813 CO 0.00 0.18 0.42 0.29 -2.79 0.00 0.00 177.10 175.20 2kbt n LYS 814 N 1.01 0.61 0.00 0.43 4.76 -1.26 -1.70 118.16 122.01 2kbt n LYS 814 Ca -0.18 -3.41 0.00 0.00 -2.87 0.00 0.00 58.31 51.85 2kbt n LYS 814 Cb 0.53 -1.66 0.00 0.00 -1.84 0.00 0.00 35.03 32.06 2kbt n LYS 814 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kbt n LYS 815 N 2.31 0.00 -4.08 1.97 4.76 -1.26 -4.87 118.16 116.99 2kbt n LYS 815 Ca 0.27 0.66 -0.14 0.00 -2.87 0.00 0.00 58.31 56.23 2kbt n LYS 815 Cb 0.47 -1.20 -0.04 0.00 -1.84 0.00 0.00 35.03 32.42 2kbt n LYS 815 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2kbt s GLY 816 N -0.40 1.42 -0.03 0.72 0.00 -1.26 -5.09 107.32 102.67 2kbt s GLY 816 Ca 0.00 -1.47 -0.28 0.00 0.00 0.00 0.00 44.72 42.97 2kbt s GLY 816 CO 0.00 -0.97 0.91 1.62 0.00 0.00 0.00 173.10 174.67 2kbt s GLN 817 N -3.09 4.51 -0.62 2.90 0.74 -1.26 -3.49 119.66 119.36 2kbt s GLN 817 Ca 0.30 1.28 -0.03 0.00 0.05 0.00 0.00 55.36 56.96 2kbt s GLN 817 Cb -0.00 -3.47 0.00 0.00 1.10 0.00 0.00 33.01 30.64 2kbt s GLN 817 CO 0.19 -0.05 0.37 0.94 -0.55 0.00 0.00 175.29 176.19 2kbt n GLN 818 N 3.99 -2.66 0.00 1.67 7.27 -1.26 -4.99 117.38 121.40 2kbt n GLN 818 Ca 0.05 0.37 0.00 0.00 0.07 0.00 0.00 57.00 57.48 2kbt n GLN 818 Cb 0.51 -4.05 0.00 0.00 2.41 0.00 0.00 30.24 29.11 2kbt n GLN 818 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kbt n GLY 819 N -1.10 2.01 2.81 1.69 0.00 -1.23 -4.97 105.19 104.40 2kbt n GLY 819 Ca -0.02 -0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 2kbt n GLY 819 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2kbt s TRP 820 N 2.59 -0.14 0.38 1.61 1.48 -1.26 -3.07 118.94 120.53 2kbt s TRP 820 Ca 0.00 0.55 -0.02 0.00 -1.06 0.00 0.00 56.10 55.57 2kbt s TRP 820 Cb 0.00 -0.29 -0.04 0.00 -1.16 0.00 0.00 33.47 31.98 2kbt s TRP 820 CO 0.00 -0.25 0.63 -1.58 -4.06 0.00 0.00 176.95 171.68 2kbt s TRP 821 N 2.24 3.52 -0.20 1.66 0.51 -0.81 -4.15 118.94 121.71 2kbt s TRP 821 Ca 0.03 0.56 -0.00 0.00 -2.12 0.00 0.00 56.10 54.57 2kbt s TRP 821 Cb -0.12 -2.07 0.01 0.00 -0.81 0.00 0.00 33.47 30.48 2kbt s TRP 821 CO -0.05 0.00 -0.15 0.50 -0.51 0.00 0.00 176.95 176.74 2kbt s ARG 822 N -4.30 3.07 0.00 4.98 3.52 -0.69 -1.76 118.95 123.77 2kbt s ARG 822 Ca 0.43 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 55.24 2kbt s ARG 822 Cb -0.10 -2.71 0.00 0.00 -1.56 0.00 0.00 34.95 30.58 2kbt s ARG 822 CO 0.38 -0.22 0.00 0.41 -0.81 0.00 0.00 175.30 175.05 2kbt n GLY 823 N 4.67 5.40 3.30 8.12 0.00 -0.72 0.15 105.19 126.10 2kbt n GLY 823 Ca -0.20 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 2kbt n GLY 823 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kbt s GLU 824 N 0.63 0.99 -0.17 1.61 2.12 -1.10 -2.09 118.70 120.68 2kbt s GLU 824 Ca 0.00 -0.66 -0.07 0.00 0.36 0.00 0.00 54.97 54.60 2kbt s GLU 824 Cb 0.00 0.43 0.07 0.00 0.26 0.00 0.00 34.13 34.90 2kbt s GLU 824 CO 0.00 -0.37 0.38 0.42 -0.54 0.00 0.00 175.26 175.15 2kbt s ILE 825 N -3.46 -0.40 -1.93 -3.70 1.01 0.50 -3.11 121.20 110.10 2kbt s ILE 825 Ca 0.01 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.83 2kbt s ILE 825 Cb 0.02 -0.60 0.00 0.00 0.01 0.00 0.00 42.46 41.89 2kbt s ILE 825 CO -0.09 0.07 0.00 -1.22 0.00 0.00 0.00 174.94 173.70 2kbt n TYR 826 N 5.01 -0.67 -0.36 3.97 4.01 -1.26 -0.09 117.16 127.76 2kbt n TYR 826 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 2kbt n TYR 826 Cb 0.51 -3.82 0.00 0.00 -0.31 0.00 0.00 39.34 35.72 2kbt n TYR 826 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kbt n GLY 827 N -0.82 0.97 3.57 2.72 0.00 -1.26 -5.01 105.19 105.35 2kbt n GLY 827 Ca -0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2kbt n GLY 827 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kbt s ARG 828 N -0.50 3.59 0.40 1.61 0.52 0.87 -5.04 118.95 120.41 2kbt s ARG 828 Ca 0.00 0.15 -0.08 0.00 -0.52 0.00 0.00 55.73 55.28 2kbt s ARG 828 Cb 0.00 -3.88 -0.06 0.00 0.52 0.00 0.00 34.95 31.54 2kbt s ARG 828 CO 0.00 -1.03 0.73 0.42 0.02 0.00 0.00 175.30 175.45 2kbt s ILE 829 N 3.33 4.86 -4.03 1.52 -1.09 -1.26 -0.37 121.20 124.15 2kbt s ILE 829 Ca 0.32 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.17 2kbt s ILE 829 Cb -0.12 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 2kbt s ILE 829 CO 0.21 -0.56 0.00 0.61 -1.23 0.00 0.00 174.94 173.97 2kbt n GLY 830 N -1.45 -1.44 2.24 6.18 0.00 -0.89 -4.60 105.19 105.23 2kbt n GLY 830 Ca 0.01 -1.15 -0.19 0.00 0.00 0.00 0.00 46.02 44.69 2kbt n GLY 830 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2kbt n TRP 831 N 6.72 0.52 -3.63 1.61 7.02 -1.26 -1.76 117.44 126.66 2kbt n TRP 831 Ca 0.00 -1.61 -0.02 0.00 -1.02 0.00 0.00 57.50 54.85 2kbt n TRP 831 Cb 0.00 -0.14 -0.02 0.00 -2.42 0.00 0.00 31.31 28.73 2kbt n TRP 831 CO 0.00 0.00 0.00 -0.59 -2.02 0.00 0.00 177.69 175.08 2kbt s PHE 832 N -2.28 -0.04 0.46 -5.99 -0.71 -0.72 0.17 117.98 108.86 2kbt s PHE 832 Ca 0.05 0.02 -0.22 0.00 -1.04 0.00 0.00 56.93 55.74 2kbt s PHE 832 Cb 0.00 0.51 -0.09 0.00 -1.21 0.00 0.00 43.02 42.23 2kbt s PHE 832 CO 0.03 -0.07 1.04 -1.25 -1.34 0.00 0.00 175.22 173.63 2kbt s PRO 833 N -2.14 3.93 0.00 1.99 0.04 -1.26 -1.92 135.00 135.64 2kbt s PRO 833 Ca 0.11 1.42 0.20 0.00 0.04 0.00 0.00 61.00 62.77 2kbt s PRO 833 Cb -0.00 -2.25 1.11 0.00 0.04 0.00 0.00 34.50 33.39 2kbt s PRO 833 CO -0.03 -0.33 1.72 -1.13 0.04 0.00 0.00 177.00 177.27 2kbt n SER 834 N -0.65 0.22 -0.69 6.66 3.41 -1.17 -2.51 113.62 118.89 2kbt n SER 834 Ca 0.08 -1.43 0.09 0.00 -0.26 0.00 0.00 58.87 57.34 2kbt n SER 834 Cb 0.51 -0.01 0.07 0.00 -0.26 0.00 0.00 64.21 64.52 2kbt n SER 834 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kbt n ASN 835 N -0.65 2.45 -0.24 4.04 3.02 -1.26 -4.21 115.26 118.40 2kbt n ASN 835 Ca 0.15 -1.72 0.02 0.00 -0.03 0.00 0.00 54.58 53.00 2kbt n ASN 835 Cb 0.10 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.33 2kbt n ASN 835 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 2kbt n TYR 836 N 0.97 0.15 -3.82 3.10 4.02 -1.04 -4.98 117.16 115.56 2kbt n TYR 836 Ca 0.10 -0.42 -0.10 0.00 -0.01 0.00 0.00 57.90 57.47 2kbt n TYR 836 Cb 0.43 -0.03 -0.05 0.00 -0.02 0.00 0.00 39.34 39.67 2kbt n TYR 836 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 2kbt s VAL 837 N -0.90 0.06 -0.04 -0.72 -7.23 -1.25 -2.73 120.40 107.59 2kbt s VAL 837 Ca 0.09 -1.01 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 2kbt s VAL 837 Cb 0.05 -1.60 0.02 0.00 0.56 0.00 0.00 36.38 35.40 2kbt s VAL 837 CO 0.06 -0.25 -0.02 -1.61 -0.31 0.00 0.00 175.10 172.96 2kbt s GLU 838 N -3.90 0.59 0.40 4.82 0.41 -0.47 -4.86 118.70 115.69 2kbt s GLU 838 Ca 0.11 -0.02 0.07 0.00 -0.41 0.00 0.00 54.97 54.72 2kbt s GLU 838 Cb 0.01 -0.67 -0.08 0.00 -1.78 0.00 0.00 34.13 31.61 2kbt s GLU 838 CO -0.04 -0.10 -0.01 -1.83 -0.49 0.00 0.00 175.26 172.79 2kbt s GLU 839 N 0.96 1.93 -1.38 1.61 4.04 -1.26 0.98 118.70 125.57 2kbt s GLU 839 Ca -0.11 -2.07 0.00 0.00 0.04 0.00 0.00 54.97 52.83 2kbt s GLU 839 Cb -0.14 -1.64 0.00 0.00 0.02 0.00 0.00 34.13 32.37 2kbt s GLU 839 CO -0.01 -0.02 0.00 -3.47 -1.84 0.00 0.00 175.26 169.93 2kbt n ASP 840 N -0.93 -4.61 0.03 0.83 2.03 -1.25 -4.82 116.55 107.83 2kbt n ASP 840 Ca -0.05 0.15 -0.12 0.00 0.52 0.00 0.00 54.79 55.29 2kbt n ASP 840 Cb 0.66 -3.92 -0.14 0.00 -0.72 0.00 0.00 41.12 37.01 2kbt n ASP 840 CO 0.00 0.00 0.00 0.10 -1.92 0.00 0.00 177.20 175.38 2kbt h TYR 841 N 0.00 0.20 -2.80 -0.67 -0.00 -1.89 -3.48 116.97 108.34 2kbt h TYR 841 Ca -0.36 -0.15 -0.06 0.00 0.00 0.00 0.00 58.73 58.16 2kbt h TYR 841 Cb 1.24 -0.01 -0.16 0.00 0.00 0.00 0.00 36.73 37.80 2kbt h TYR 841 CO 0.62 1.19 0.04 -1.54 -0.00 0.00 0.00 178.16 178.46 2kbt s SER 842 N -6.65 -0.43 -0.04 0.10 1.04 -1.26 -5.16 113.70 101.29 2kbt s SER 842 Ca -0.06 0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.51 2kbt s SER 842 Cb 0.08 0.49 0.03 0.00 0.10 0.00 0.00 66.02 66.72 2kbt s SER 842 CO 0.83 -0.73 0.07 -0.70 0.98 0.00 0.00 173.24 173.69 2kbt s GLU 843 N -2.51 -0.03 -0.43 4.02 2.12 -1.26 -4.98 118.70 115.63 2kbt s GLU 843 Ca -0.05 0.31 0.05 0.00 0.36 0.00 0.00 54.97 55.64 2kbt s GLU 843 Cb -0.01 -0.32 0.43 0.00 0.26 0.00 0.00 34.13 34.49 2kbt s GLU 843 CO -0.02 -0.23 1.22 0.98 -0.54 0.00 0.00 175.26 176.67 2kbt n TYR 844 N 4.64 3.19 -0.85 5.30 9.36 -1.26 -5.07 117.16 132.47 2kbt n TYR 844 Ca -0.18 -2.80 -0.33 0.00 3.32 0.00 0.00 57.90 57.91 2kbt n TYR 844 Cb 0.50 -0.27 0.12 0.00 -0.63 0.00 0.00 39.34 39.06 2kbt n TYR 844 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 2kbt n LEU 845 N -0.56 0.64 -4.81 2.98 4.77 -1.26 -4.96 117.00 113.80 2kbt n LEU 845 Ca 0.42 0.39 -0.30 0.00 -0.03 0.00 0.00 56.01 56.49 2kbt n LEU 845 Cb 0.72 -1.26 0.07 0.00 -2.33 0.00 0.00 43.42 40.62 2kbt n LEU 845 CO 0.38 -3.27 0.71 -2.16 -1.33 0.00 0.00 177.39 171.72 2kbt s PRO 846 N -3.69 2.42 1.05 3.23 0.04 -1.26 -5.06 135.00 131.73 2kbt s PRO 846 Ca 0.60 0.77 -0.18 0.00 0.04 0.00 0.00 61.00 62.23 2kbt s PRO 846 Cb -0.23 -1.95 0.25 0.00 0.04 0.00 0.00 34.50 32.61 2kbt s PRO 846 CO 0.64 -1.42 1.14 0.39 0.04 0.00 0.00 177.00 177.80 2kbt n GLU 847 N -3.31 -2.16 0.00 4.56 1.02 -1.26 -5.31 120.64 114.18 2kbt n GLU 847 Ca 0.07 -1.80 0.00 0.00 -0.02 0.00 0.00 57.16 55.42 2kbt n GLU 847 Cb 0.55 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 2kbt n GLU 847 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72