#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kbt s PRO 781 N 0.00 3.11 0.00 1.61 0.04 -1.26 -5.07 135.00 133.43 2kbt s PRO 781 Ca 0.00 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.07 2kbt s PRO 781 Cb 0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.53 2kbt s PRO 781 CO 0.00 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 176.48 2kbt n GLY 782 N -1.66 0.84 2.32 0.56 0.00 -1.26 -4.93 105.19 101.05 2kbt n GLY 782 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.91 -3.10 2.61 -1.04 -1.26 -5.03 114.28 105.55 2kbt n THR 783 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 2kbt n THR 783 Cb 0.00 -2.14 0.03 0.00 -1.82 0.00 0.00 70.33 66.40 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 -2.82 2.13 0.00 -1.42 0.08 -1.26 -5.09 117.98 109.60 2kbt s PHE 784 Ca 0.14 -0.57 0.00 0.00 0.12 0.00 0.00 56.93 56.62 2kbt s PHE 784 Cb -0.06 -2.27 0.00 0.00 -0.57 0.00 0.00 43.02 40.12 2kbt s PHE 784 CO 0.17 -0.73 0.00 0.41 -0.10 0.00 0.00 175.22 174.97 2kbt n GLY 785 N -2.00 0.62 3.68 4.36 0.00 -1.26 -5.03 105.19 105.56 2kbt n GLY 785 Ca 0.11 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 0.41 0.00 -0.25 2.61 -4.23 -1.26 -3.11 115.64 109.81 2kbt s THR 786 Ca 0.00 -1.26 -0.02 0.00 -1.18 0.00 0.00 61.69 59.23 2kbt s THR 786 Cb 0.00 -2.34 0.12 0.00 1.34 0.00 0.00 72.50 71.62 2kbt s THR 786 CO 0.00 0.00 0.26 0.00 -0.54 0.00 0.00 174.62 174.34 2kbt s ALA 787 N -3.54 -0.37 0.20 3.99 0.00 0.12 -4.27 121.76 117.88 2kbt s ALA 787 Ca 0.20 -0.06 -0.31 0.00 0.00 0.00 0.00 51.96 51.79 2kbt s ALA 787 Cb -0.03 -1.59 -0.10 0.00 0.00 0.00 0.00 23.12 21.41 2kbt s ALA 787 CO 0.11 -1.49 1.48 0.21 0.00 0.00 0.00 175.76 176.07 2kbt s LYS 788 N 2.35 4.25 -0.03 0.00 2.20 -1.25 0.00 119.74 127.27 2kbt s LYS 788 Ca 0.09 2.30 -0.30 0.00 -0.36 0.00 0.00 55.97 57.70 2kbt s LYS 788 Cb -0.15 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 2kbt s LYS 788 CO -0.24 -0.49 1.10 0.00 -0.36 0.00 0.00 175.35 175.36 2kbt s ALA 789 N 0.54 3.37 -2.52 3.13 0.00 0.02 0.17 121.76 126.47 2kbt s ALA 789 Ca 0.64 0.59 0.23 0.00 0.00 0.00 0.00 51.96 53.42 2kbt s ALA 789 Cb -0.42 -3.44 0.13 0.00 0.00 0.00 0.00 23.12 19.39 2kbt s ALA 789 CO 0.37 -0.53 1.20 0.54 0.00 0.00 0.00 175.76 177.34 2kbt n ARG 790 N 4.59 1.77 -3.65 0.00 5.12 0.51 -3.09 116.66 121.91 2kbt n ARG 790 Ca 0.09 -1.45 -0.07 0.00 -1.93 0.00 0.00 57.85 54.49 2kbt n ARG 790 Cb 0.48 -1.47 -0.07 0.00 -1.16 0.00 0.00 32.46 30.24 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 -2.23 -1.06 -0.13 -1.55 2.02 -1.20 -4.91 117.35 108.29 2kbt s TYR 791 Ca 0.24 2.08 -0.29 0.00 -0.37 0.00 0.00 57.07 58.73 2kbt s TYR 791 Cb 0.19 0.62 -0.05 0.00 -0.40 0.00 0.00 41.96 42.32 2kbt s TYR 791 CO 0.43 -0.53 1.84 0.16 -1.57 0.00 0.00 175.55 175.88 2kbt s ASP 792 N 1.78 6.24 -0.21 2.29 3.84 -1.26 -4.46 116.67 124.88 2kbt s ASP 792 Ca -0.09 2.03 -0.07 0.00 -0.00 0.00 0.00 52.55 54.41 2kbt s ASP 792 Cb -0.06 -2.53 -0.04 0.00 -1.38 0.00 0.00 42.92 38.92 2kbt s ASP 792 CO -0.19 -1.31 0.07 0.12 -0.00 0.00 0.00 175.17 173.85 2kbt s PHE 793 N 5.51 3.16 -0.55 2.11 5.36 -1.00 -4.91 117.98 127.66 2kbt s PHE 793 Ca 0.82 -0.14 -0.20 0.00 -0.96 0.00 0.00 56.93 56.45 2kbt s PHE 793 Cb -0.32 -2.15 0.07 0.00 -0.34 0.00 0.00 43.02 40.28 2kbt s PHE 793 CO 0.34 -0.08 0.72 0.00 -1.46 0.00 0.00 175.22 174.74 2kbt s ALA 795 N 2.96 2.27 0.65 0.00 0.00 -1.26 -4.78 121.76 121.61 2kbt s ALA 795 Ca 0.17 0.37 0.35 0.00 0.00 0.00 0.00 51.96 52.85 2kbt s ALA 795 Cb -0.19 -4.19 1.94 0.00 0.00 0.00 0.00 23.12 20.67 2kbt s ALA 795 CO 0.11 -3.50 2.13 0.07 0.00 0.00 0.00 175.76 174.57 2kbt h ARG 796 N 16.70 0.00 0.00 0.00 0.11 -1.94 -3.44 114.38 125.81 2kbt h ARG 796 Ca -0.33 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.66 2kbt h ARG 796 Cb 1.24 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.31 2kbt h ARG 796 CO 1.06 0.00 0.15 -0.25 0.10 0.00 0.00 179.97 181.03 2kbt n ASP 797 N -3.18 -1.87 0.00 0.08 8.00 -1.26 -5.00 116.55 113.32 2kbt n ASP 797 Ca -0.01 -2.52 0.09 0.00 0.71 0.00 0.00 54.79 53.06 2kbt n ASP 797 Cb 0.26 3.17 0.46 0.00 -0.02 0.00 0.00 41.12 44.99 2kbt n ASP 797 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2kbt n ARG 798 N -0.50 0.25 0.04 -1.24 3.00 -1.26 -1.94 116.66 115.00 2kbt n ARG 798 Ca -0.06 0.12 0.14 0.00 -0.00 0.00 0.00 57.85 58.04 2kbt n ARG 798 Cb 0.54 -1.50 0.54 0.00 0.00 0.00 0.00 32.46 32.04 2kbt n ARG 798 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2kbt n SER 799 N -1.30 0.29 -4.45 6.15 3.41 -1.26 -4.74 113.62 111.71 2kbt n SER 799 Ca 0.08 0.51 -0.29 0.00 -0.26 0.00 0.00 58.87 58.91 2kbt n SER 799 Cb 0.15 -0.58 -0.12 0.00 -0.26 0.00 0.00 64.21 63.40 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 -3.03 1.64 0.08 4.33 2.56 -0.82 -3.62 118.70 119.84 2kbt s GLU 800 Ca 0.13 -1.26 -0.20 0.00 0.00 0.00 0.00 54.97 53.63 2kbt s GLU 800 Cb 0.17 -2.02 -0.07 0.00 2.00 0.00 0.00 34.13 34.21 2kbt s GLU 800 CO 0.56 0.46 0.59 -1.17 -0.56 0.00 0.00 175.26 175.14 2kbt s LEU 801 N -2.17 4.53 -0.52 2.70 0.20 0.57 -4.45 118.68 119.55 2kbt s LEU 801 Ca 0.17 1.30 -0.27 0.00 0.69 0.00 0.00 54.13 56.01 2kbt s LEU 801 Cb -0.10 -2.94 0.03 0.00 -0.43 0.00 0.00 46.19 42.75 2kbt s LEU 801 CO 0.09 0.26 1.09 -0.55 -0.29 0.00 0.00 176.35 176.95 2kbt s SER 802 N -1.05 6.51 0.25 3.68 0.15 -1.26 -4.38 113.70 117.61 2kbt s SER 802 Ca 0.30 0.19 0.01 0.00 0.70 0.00 0.00 55.95 57.15 2kbt s SER 802 Cb -0.20 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 2kbt s SER 802 CO 0.20 -1.29 0.43 -0.76 1.20 0.00 0.00 173.24 173.02 2kbt s LEU 803 N 4.43 4.19 -0.28 3.45 1.02 -0.81 -4.89 118.68 125.78 2kbt s LEU 803 Ca 0.42 0.32 -0.02 0.00 0.02 0.00 0.00 54.13 54.87 2kbt s LEU 803 Cb -0.08 -3.12 0.16 0.00 0.02 0.00 0.00 46.19 43.17 2kbt s LEU 803 CO 0.27 -0.12 0.52 -0.75 0.02 0.00 0.00 176.35 176.29 2kbt s LYS 804 N -3.79 0.49 0.08 1.70 2.36 -1.26 -2.37 119.74 116.94 2kbt s LYS 804 Ca 0.38 0.88 -0.33 0.00 -2.55 0.00 0.00 55.97 54.35 2kbt s LYS 804 Cb -0.10 0.23 -0.18 0.00 -1.05 0.00 0.00 37.83 36.73 2kbt s LYS 804 CO 0.31 -0.59 0.79 0.39 1.55 0.00 0.00 175.35 177.80 2kbt n GLU 805 N 5.41 0.00 -0.03 4.03 1.02 -1.26 0.20 120.64 130.01 2kbt n GLU 805 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 2kbt n GLU 805 Cb 0.51 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.71 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 1.61 1.14 3.97 0.62 0.00 -1.18 -4.98 105.19 106.38 2kbt n GLY 806 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.80 6.00 -0.07 1.61 -0.00 0.13 -4.94 116.67 116.60 2kbt s ASP 807 Ca 0.00 0.10 0.03 0.00 -0.00 0.00 0.00 52.55 52.68 2kbt s ASP 807 Cb 0.00 -1.52 -0.02 0.00 -0.00 0.00 0.00 42.92 41.38 2kbt s ASP 807 CO 0.00 -0.47 -0.18 0.27 -0.00 0.00 0.00 175.17 174.79 2kbt s ILE 808 N -2.31 2.72 -0.35 0.77 -0.00 -1.26 -0.80 121.20 119.98 2kbt s ILE 808 Ca 0.44 -0.82 -0.12 0.00 -0.00 0.00 0.00 60.65 60.15 2kbt s ILE 808 Cb -0.10 -2.07 -0.00 0.00 -0.00 0.00 0.00 42.46 40.30 2kbt s ILE 808 CO 0.34 0.57 0.21 -0.63 -0.00 0.00 0.00 174.94 175.43 2kbt s ILE 809 N -0.24 4.93 -0.18 8.37 1.09 0.10 -4.80 121.20 130.47 2kbt s ILE 809 Ca 0.00 -0.46 -0.29 0.00 -1.10 0.00 0.00 60.65 58.80 2kbt s ILE 809 Cb -0.13 -3.59 -0.04 0.00 -1.06 0.00 0.00 42.46 37.64 2kbt s ILE 809 CO 0.03 -0.06 1.78 -0.75 -0.10 0.00 0.00 174.94 175.83 2kbt s LYS 810 N 1.65 3.73 0.06 2.79 2.47 -0.75 0.11 119.74 129.80 2kbt s LYS 810 Ca 0.05 1.87 -0.30 0.00 -1.56 0.00 0.00 55.97 56.03 2kbt s LYS 810 Cb -0.18 -4.11 -0.05 0.00 -1.46 0.00 0.00 37.83 32.03 2kbt s LYS 810 CO 0.08 -1.38 1.03 0.42 0.16 0.00 0.00 175.35 175.66 2kbt s ILE 811 N 5.62 4.51 0.00 5.43 -1.09 -1.18 -1.93 121.20 132.56 2kbt s ILE 811 Ca 0.79 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 61.11 2kbt s ILE 811 Cb -0.29 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.37 2kbt s ILE 811 CO 0.32 0.20 0.00 0.18 -1.23 0.00 0.00 174.94 174.41 2kbt n LEU 812 N 3.47 1.72 -4.08 2.97 4.77 -0.23 -4.50 117.00 121.12 2kbt n LEU 812 Ca 0.05 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.86 2kbt n LEU 812 Cb 0.49 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.45 2kbt n LEU 812 CO 0.53 0.28 -0.43 0.20 -1.33 0.00 0.00 177.39 176.63 2kbt s ASN 813 N -4.37 1.19 -0.39 -1.43 -0.87 -0.96 -4.99 114.94 103.12 2kbt s ASN 813 Ca 0.00 -0.39 0.01 0.00 -1.57 0.00 0.00 52.86 50.90 2kbt s ASN 813 Cb 0.00 -0.06 0.14 0.00 -0.02 0.00 0.00 41.25 41.31 2kbt s ASN 813 CO 0.00 -0.02 0.22 -0.54 -2.57 0.00 0.00 177.10 174.19 2kbt s LYS 814 N -1.01 0.90 0.46 -0.60 1.02 -1.26 -2.20 119.74 117.05 2kbt s LYS 814 Ca -0.02 -1.64 0.35 0.00 0.02 0.00 0.00 55.97 54.69 2kbt s LYS 814 Cb -0.07 -1.81 1.53 0.00 -0.52 0.00 0.00 37.83 36.96 2kbt s LYS 814 CO 0.01 -1.18 1.59 0.87 -0.92 0.00 0.00 175.35 175.71 2kbt h LYS 815 N 6.91 0.02 0.00 1.68 1.79 -1.99 -3.44 116.57 121.54 2kbt h LYS 815 Ca 0.02 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2kbt h LYS 815 Cb 0.95 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2kbt h LYS 815 CO 0.37 0.01 0.00 0.41 -1.08 0.00 0.00 179.45 179.16 2kbt n GLY 816 N -1.59 3.01 2.54 3.86 0.00 -1.26 -5.04 105.19 106.70 2kbt n GLY 816 Ca 0.41 -0.72 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 2kbt n GLY 816 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kbt n GLN 817 N 0.00 -2.68 -0.90 1.61 3.00 -1.26 -4.91 117.38 112.24 2kbt n GLN 817 Ca 0.00 -1.26 -0.18 0.00 -0.01 0.00 0.00 57.00 55.55 2kbt n GLN 817 Cb 0.00 -1.21 0.12 0.00 0.00 0.00 0.00 30.24 29.15 2kbt n GLN 817 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2kbt n GLN 818 N -4.00 1.93 0.00 -1.09 6.02 -1.26 -4.67 117.38 114.31 2kbt n GLN 818 Ca 0.11 -2.17 0.00 0.00 -0.01 0.00 0.00 57.00 54.93 2kbt n GLN 818 Cb 0.43 -1.85 0.00 0.00 1.02 0.00 0.00 30.24 29.84 2kbt n GLN 818 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kbt n GLY 819 N -0.63 1.47 3.30 1.08 0.00 -1.26 -4.87 105.19 104.28 2kbt n GLY 819 Ca 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 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 0.15 1.18 -0.00 1.61 -2.14 -1.26 -4.13 118.94 114.35 2kbt s TRP 820 Ca 0.00 -1.35 0.04 0.00 2.66 0.00 0.00 56.10 57.45 2kbt s TRP 820 Cb 0.00 -0.45 -0.01 0.00 -3.10 0.00 0.00 33.47 29.91 2kbt s TRP 820 CO 0.00 -0.79 -0.13 -1.58 -2.66 0.00 0.00 176.95 171.79 2kbt s TRP 821 N -3.87 1.14 -0.13 1.66 0.51 0.93 -4.34 118.94 114.83 2kbt s TRP 821 Ca 0.36 -0.23 -0.21 0.00 -2.12 0.00 0.00 56.10 53.91 2kbt s TRP 821 Cb 0.04 -0.73 -0.03 0.00 -0.81 0.00 0.00 33.47 31.94 2kbt s TRP 821 CO 0.16 -0.01 0.61 0.50 -0.51 0.00 0.00 176.95 177.69 2kbt s ARG 822 N -0.38 4.32 0.00 4.98 3.52 -0.94 -2.93 118.95 127.52 2kbt s ARG 822 Ca 0.04 0.65 0.00 0.00 -0.13 0.00 0.00 55.73 56.30 2kbt s ARG 822 Cb -0.05 -3.50 0.00 0.00 -1.56 0.00 0.00 34.95 29.84 2kbt s ARG 822 CO -0.00 -0.03 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 2kbt n GLY 823 N 3.43 3.27 3.39 8.12 0.00 -1.21 -1.06 105.19 121.13 2kbt n GLY 823 Ca -0.03 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.83 1.19 -0.17 1.61 2.12 -0.81 -2.70 118.70 119.11 2kbt s GLU 824 Ca 0.00 -0.51 -0.12 0.00 0.36 0.00 0.00 54.97 54.70 2kbt s GLU 824 Cb 0.00 0.54 0.05 0.00 0.26 0.00 0.00 34.13 34.99 2kbt s GLU 824 CO 0.00 -0.50 0.42 0.42 -0.54 0.00 0.00 175.26 175.07 2kbt s ILE 825 N -3.62 -0.02 -1.26 -3.70 1.01 -0.07 -1.81 121.20 111.74 2kbt s ILE 825 Ca 0.01 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.71 2kbt s ILE 825 Cb -0.00 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.85 2kbt s ILE 825 CO -0.11 0.02 0.00 -1.22 0.00 0.00 0.00 174.94 173.63 2kbt n TYR 826 N 3.73 -0.11 -0.46 3.97 4.01 -1.26 0.55 117.16 127.58 2kbt n TYR 826 Ca -0.19 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.55 2kbt n TYR 826 Cb 0.56 -2.66 0.00 0.00 -0.31 0.00 0.00 39.34 36.93 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 0.05 0.77 3.26 2.72 0.00 -1.26 -5.06 105.19 105.66 2kbt n GLY 827 Ca -0.12 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.96 3.05 0.35 1.61 1.81 0.19 -5.10 118.95 119.89 2kbt s ARG 828 Ca 0.00 -0.84 -0.11 0.00 -1.72 0.00 0.00 55.73 53.05 2kbt s ARG 828 Cb 0.00 -3.04 -0.07 0.00 -0.45 0.00 0.00 34.95 31.39 2kbt s ARG 828 CO 0.00 -0.34 0.71 0.42 -0.68 0.00 0.00 175.30 175.41 2kbt s ILE 829 N 1.40 4.79 -0.51 1.52 -1.09 -1.26 -0.89 121.20 125.16 2kbt s ILE 829 Ca 0.03 0.65 0.00 0.00 -2.23 0.00 0.00 60.65 59.10 2kbt s ILE 829 Cb -0.16 -3.68 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 2kbt s ILE 829 CO -0.03 -0.34 0.00 0.61 -1.23 0.00 0.00 174.94 173.94 2kbt n GLY 830 N -0.83 -0.83 3.36 6.18 0.00 -1.10 -4.63 105.19 107.34 2kbt n GLY 830 Ca 0.02 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.13 2kbt n GLY 830 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kbt s TRP 831 N -3.00 1.69 -0.20 1.61 0.52 -1.24 -3.30 118.94 115.02 2kbt s TRP 831 Ca 0.00 -0.88 -0.32 0.00 0.02 0.00 0.00 56.10 54.92 2kbt s TRP 831 Cb 0.00 -0.99 0.15 0.00 -1.15 0.00 0.00 33.47 31.48 2kbt s TRP 831 CO 0.00 0.03 1.18 -0.59 0.02 0.00 0.00 176.95 177.59 2kbt s PHE 832 N -3.32 -0.18 0.43 -1.98 -0.71 -1.15 -0.31 117.98 110.76 2kbt s PHE 832 Ca 0.30 0.24 -0.23 0.00 -1.04 0.00 0.00 56.93 56.20 2kbt s PHE 832 Cb 0.06 0.49 -0.09 0.00 -1.21 0.00 0.00 43.02 42.27 2kbt s PHE 832 CO 0.10 -0.21 1.05 -1.25 -1.34 0.00 0.00 175.22 173.57 2kbt s PRO 833 N -1.66 4.02 0.00 1.99 0.04 -1.26 -0.05 135.00 138.08 2kbt s PRO 833 Ca 0.06 1.46 0.21 0.00 0.04 0.00 0.00 61.00 62.77 2kbt s PRO 833 Cb -0.01 -2.36 1.13 0.00 0.04 0.00 0.00 34.50 33.30 2kbt s PRO 833 CO -0.04 -0.26 1.75 -1.13 0.04 0.00 0.00 177.00 177.35 2kbt n SER 834 N -0.43 0.37 -0.35 6.66 3.41 -1.26 -2.64 113.62 119.38 2kbt n SER 834 Ca 0.07 -1.43 0.11 0.00 -0.26 0.00 0.00 58.87 57.36 2kbt n SER 834 Cb 0.51 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 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 -0.57 1.72 -0.21 4.04 3.02 -1.26 -4.08 115.26 117.92 2kbt n ASN 835 Ca 0.16 -1.36 0.06 0.00 -0.03 0.00 0.00 54.58 53.41 2kbt n ASN 835 Cb 0.13 0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 39.91 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 -0.44 0.00 -4.67 3.10 4.02 -1.08 -5.00 117.16 113.09 2kbt n TYR 836 Ca 0.08 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.67 2kbt n TYR 836 Cb 0.42 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.66 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 -1.80 1.16 0.54 -0.72 -7.23 -1.23 -0.36 120.40 110.76 2kbt s VAL 837 Ca 0.09 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.31 2kbt s VAL 837 Cb 0.10 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.71 2kbt s VAL 837 CO 0.38 0.00 0.36 -1.61 -0.31 0.00 0.00 175.10 173.92 2kbt s GLU 838 N -3.82 2.25 -0.17 4.82 2.02 0.44 -4.80 118.70 119.45 2kbt s GLU 838 Ca 0.16 -2.07 -0.10 0.00 0.02 0.00 0.00 54.97 52.98 2kbt s GLU 838 Cb 0.03 -2.03 0.06 0.00 0.10 0.00 0.00 34.13 32.29 2kbt s GLU 838 CO 0.09 -0.59 0.41 -1.21 0.02 0.00 0.00 175.26 173.97 2kbt s GLU 839 N -4.24 0.40 -0.09 1.61 8.01 -1.26 -3.74 118.70 119.39 2kbt s GLU 839 Ca 0.30 0.76 0.00 0.00 0.01 0.00 0.00 54.97 56.04 2kbt s GLU 839 Cb -0.02 0.00 0.00 0.00 -4.31 0.00 0.00 34.13 29.81 2kbt s GLU 839 CO 0.19 -0.15 0.00 -3.47 0.01 0.00 0.00 175.26 171.84 2kbt n ASP 840 N 4.10 -1.20 -0.31 -0.19 2.03 -1.26 -4.70 116.55 115.01 2kbt n ASP 840 Ca -0.22 0.46 0.17 0.00 0.52 0.00 0.00 54.79 55.71 2kbt n ASP 840 Cb 0.55 -1.17 0.42 0.00 -0.72 0.00 0.00 41.12 40.20 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 0.82 -3.29 -0.67 -0.00 -1.91 -3.43 116.97 108.49 2kbt h TYR 841 Ca -0.02 0.03 -0.04 0.00 0.00 0.00 0.00 58.73 58.69 2kbt h TYR 841 Cb 0.98 -0.25 -0.12 0.00 0.00 0.00 0.00 36.73 37.34 2kbt h TYR 841 CO 0.85 0.18 0.01 -1.54 -0.00 0.00 0.00 178.16 177.66 2kbt s SER 842 N -5.48 -0.31 -0.13 0.10 1.04 -1.26 -5.16 113.70 102.49 2kbt s SER 842 Ca -0.10 -0.27 -0.07 0.00 0.48 0.00 0.00 55.95 55.99 2kbt s SER 842 Cb 0.24 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.84 2kbt s SER 842 CO 0.79 -0.91 0.11 -1.61 0.98 0.00 0.00 173.24 172.61 2kbt s GLU 843 N -3.80 3.54 -0.44 4.02 2.02 -1.26 -5.02 118.70 117.75 2kbt s GLU 843 Ca 0.03 -0.20 0.07 0.00 0.02 0.00 0.00 54.97 54.90 2kbt s GLU 843 Cb 0.01 -3.17 0.41 0.00 0.10 0.00 0.00 34.13 31.47 2kbt s GLU 843 CO -0.11 0.66 1.05 0.98 0.02 0.00 0.00 175.26 177.86 2kbt n TYR 844 N 2.35 3.12 -1.11 1.61 4.19 -1.26 -5.08 117.16 120.99 2kbt n TYR 844 Ca -0.19 -3.24 -0.32 0.00 3.31 0.00 0.00 57.90 57.47 2kbt n TYR 844 Cb 0.54 -0.19 0.12 0.00 0.49 0.00 0.00 39.34 40.29 2kbt n TYR 844 CO 0.00 0.00 0.00 -0.51 0.91 0.00 0.00 176.86 177.26 2kbt s LEU 845 N -3.44 3.03 0.75 2.98 2.01 -1.26 -5.00 118.68 117.74 2kbt s LEU 845 Ca 0.45 2.05 -0.11 0.00 0.01 0.00 0.00 54.13 56.53 2kbt s LEU 845 Cb 0.39 -4.55 0.04 0.00 0.01 0.00 0.00 46.19 42.08 2kbt s LEU 845 CO -0.15 -2.44 1.08 -2.16 1.01 0.00 0.00 176.35 173.69 2kbt s PRO 846 N -4.61 2.48 0.53 1.29 0.04 -1.26 -4.94 135.00 128.53 2kbt s PRO 846 Ca 0.65 0.78 0.34 0.00 0.04 0.00 0.00 61.00 62.82 2kbt s PRO 846 Cb -0.21 -1.95 1.45 0.00 0.04 0.00 0.00 34.50 33.83 2kbt s PRO 846 CO 0.54 -1.38 2.00 0.93 0.04 0.00 0.00 177.00 179.13 2kbt h GLU 847 N -0.92 0.00 -0.01 4.56 5.08 -2.06 -3.56 114.58 117.67 2kbt h GLU 847 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2kbt h GLU 847 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2kbt h GLU 847 CO 0.58 0.00 0.00 2.41 -1.00 0.00 0.00 179.01 181.00