#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 -1.94 -3.70 1.61 -0.04 -1.26 -5.09 135.00 124.58 2kbt n PRO 781 Ca 0.00 -1.61 -0.15 0.00 -0.04 0.00 0.00 63.50 61.70 2kbt n PRO 781 Cb 0.00 -1.27 -0.15 0.00 -0.04 0.00 0.00 33.50 32.05 2kbt n PRO 781 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kbt s GLY 782 N -4.82 0.00 0.03 0.55 0.00 -1.26 -5.12 107.32 96.71 2kbt s GLY 782 Ca 0.62 0.64 -0.36 0.00 0.00 0.00 0.00 44.72 45.62 2kbt s GLY 782 CO 0.45 1.40 1.54 2.41 0.00 0.00 0.00 173.10 178.90 2kbt n THR 783 N 4.84 0.12 -1.44 0.90 -1.04 -1.26 -4.93 114.28 111.46 2kbt n THR 783 Ca -0.14 -0.02 -0.30 0.00 -2.04 0.00 0.00 64.05 61.55 2kbt n THR 783 Cb 0.51 -1.21 0.12 0.00 -1.82 0.00 0.00 70.33 67.92 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 1.52 2.60 0.32 -1.42 0.40 -1.26 -4.99 117.98 115.15 2kbt s PHE 784 Ca 0.86 1.11 0.00 0.00 -0.60 0.00 0.00 56.93 58.30 2kbt s PHE 784 Cb -0.86 -3.19 0.00 0.00 0.51 0.00 0.00 43.02 39.47 2kbt s PHE 784 CO 0.48 -2.11 0.00 0.41 0.70 0.00 0.00 175.22 174.70 2kbt n GLY 785 N -1.81 -1.14 3.48 4.36 0.00 -1.26 -5.07 105.19 103.75 2kbt n GLY 785 Ca 0.07 0.21 -0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.79 0.03 -0.08 2.61 -4.23 -1.26 -3.32 115.64 107.60 2kbt s THR 786 Ca 0.00 -1.33 -0.02 0.00 -1.18 0.00 0.00 61.69 59.16 2kbt s THR 786 Cb 0.00 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 71.87 2kbt s THR 786 CO 0.00 -0.12 0.02 0.00 -0.54 0.00 0.00 174.62 173.98 2kbt s ALA 787 N -3.99 0.64 -0.21 3.99 0.00 0.11 -4.14 121.76 118.16 2kbt s ALA 787 Ca 0.19 -0.13 -0.29 0.00 0.00 0.00 0.00 51.96 51.73 2kbt s ALA 787 Cb 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 23.12 22.36 2kbt s ALA 787 CO 0.04 -0.56 1.12 0.21 0.00 0.00 0.00 175.76 176.57 2kbt s LYS 788 N 2.00 4.25 0.28 0.00 2.20 -1.25 0.19 119.74 127.41 2kbt s LYS 788 Ca 0.04 1.46 -0.30 0.00 -0.36 0.00 0.00 55.97 56.82 2kbt s LYS 788 Cb -0.13 -3.68 -0.10 0.00 -1.51 0.00 0.00 37.83 32.41 2kbt s LYS 788 CO -0.05 -0.66 1.41 0.00 -0.36 0.00 0.00 175.35 175.69 2kbt s ALA 789 N 3.31 3.59 -0.31 3.13 0.00 0.15 0.39 121.76 132.02 2kbt s ALA 789 Ca 0.48 1.33 0.03 0.00 0.00 0.00 0.00 51.96 53.80 2kbt s ALA 789 Cb -0.17 -3.54 0.07 0.00 0.00 0.00 0.00 23.12 19.48 2kbt s ALA 789 CO 0.09 -0.75 0.95 0.54 0.00 0.00 0.00 175.76 176.59 2kbt n ARG 790 N 1.79 2.03 -3.72 0.00 5.12 -1.11 -3.36 116.66 117.40 2kbt n ARG 790 Ca 0.05 -1.41 -0.13 0.00 -1.93 0.00 0.00 57.85 54.43 2kbt n ARG 790 Cb 0.40 -1.07 -0.10 0.00 -1.16 0.00 0.00 32.46 30.53 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 -0.81 -0.49 -0.22 -1.55 1.51 -1.25 -4.95 117.35 109.60 2kbt s TYR 791 Ca 0.06 1.15 -0.29 0.00 -1.01 0.00 0.00 57.07 56.98 2kbt s TYR 791 Cb 0.03 0.18 -0.01 0.00 -0.11 0.00 0.00 41.96 42.05 2kbt s TYR 791 CO 0.04 -0.24 1.37 -0.51 -1.11 0.00 0.00 175.55 175.10 2kbt s ASP 792 N 0.44 6.72 -0.19 2.29 1.01 -1.26 -4.12 116.67 121.55 2kbt s ASP 792 Ca -0.02 1.53 0.00 0.00 0.71 0.00 0.00 52.55 54.77 2kbt s ASP 792 Cb -0.04 -2.54 0.05 0.00 1.01 0.00 0.00 42.92 41.40 2kbt s ASP 792 CO -0.02 -0.98 -0.07 0.12 0.21 0.00 0.00 175.17 174.43 2kbt s PHE 793 N 4.18 2.12 0.22 4.23 5.36 -1.14 -4.99 117.98 127.96 2kbt s PHE 793 Ca 0.59 -1.43 -0.22 0.00 -0.96 0.00 0.00 56.93 54.91 2kbt s PHE 793 Cb -0.21 -1.50 -0.08 0.00 -0.34 0.00 0.00 43.02 40.89 2kbt s PHE 793 CO 0.21 -0.70 0.77 0.00 -1.46 0.00 0.00 175.22 174.04 2kbt s ALA 795 N -1.42 3.59 0.57 0.00 0.00 -1.26 -4.91 121.76 118.34 2kbt s ALA 795 Ca 0.42 -2.35 0.30 0.00 0.00 0.00 0.00 51.96 50.33 2kbt s ALA 795 Cb -0.19 -3.23 1.45 0.00 0.00 0.00 0.00 23.12 21.15 2kbt s ALA 795 CO 0.23 -1.95 1.85 0.00 0.00 0.00 0.00 175.76 175.89 2kbt h ARG 796 N 8.87 0.00 0.00 0.00 2.47 -1.95 -3.44 114.38 120.34 2kbt h ARG 796 Ca -0.29 0.00 -0.07 0.00 -1.26 0.00 0.00 59.98 58.36 2kbt h ARG 796 Cb 1.10 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 2kbt h ARG 796 CO 0.99 0.00 0.11 -0.25 0.56 0.00 0.00 179.97 181.38 2kbt n ASP 797 N -3.93 -1.42 0.00 7.04 8.00 -1.26 -5.00 116.55 119.98 2kbt n ASP 797 Ca 0.15 -2.15 0.07 0.00 0.71 0.00 0.00 54.79 53.56 2kbt n ASP 797 Cb 0.89 2.41 0.32 0.00 -0.02 0.00 0.00 41.12 44.72 2kbt n ASP 797 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kbt n ARG 798 N -0.38 0.12 0.22 -1.24 5.12 -1.26 -1.74 116.66 117.50 2kbt n ARG 798 Ca -0.04 0.20 0.14 0.00 -1.93 0.00 0.00 57.85 56.22 2kbt n ARG 798 Cb 0.41 -1.50 0.47 0.00 -1.16 0.00 0.00 32.46 30.68 2kbt n ARG 798 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2kbt h SER 799 N 0.00 0.00 -3.68 0.55 4.64 -1.94 -3.39 113.55 109.73 2kbt h SER 799 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 2kbt h SER 799 Cb 0.17 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.08 2kbt h SER 799 CO 0.00 0.00 -0.78 -0.70 -0.87 0.00 0.00 176.83 174.48 2kbt s GLU 800 N -3.41 1.90 0.02 4.77 2.56 -0.71 -3.37 118.70 120.46 2kbt s GLU 800 Ca 0.04 -1.12 -0.25 0.00 0.00 0.00 0.00 54.97 53.64 2kbt s GLU 800 Cb 0.08 -2.18 -0.05 0.00 2.00 0.00 0.00 34.13 33.99 2kbt s GLU 800 CO 0.56 0.49 0.79 -1.17 -0.56 0.00 0.00 175.26 175.37 2kbt s LEU 801 N -2.14 4.41 -0.63 2.70 0.20 0.52 -4.31 118.68 119.43 2kbt s LEU 801 Ca 0.19 1.43 -0.27 0.00 0.69 0.00 0.00 54.13 56.17 2kbt s LEU 801 Cb -0.11 -3.25 -0.01 0.00 -0.43 0.00 0.00 46.19 42.38 2kbt s LEU 801 CO 0.11 -0.05 1.79 -0.55 -0.29 0.00 0.00 176.35 177.35 2kbt s SER 802 N 0.28 5.39 0.07 3.68 0.15 -1.26 -4.52 113.70 117.48 2kbt s SER 802 Ca 0.40 0.22 -0.07 0.00 0.70 0.00 0.00 55.95 57.20 2kbt s SER 802 Cb -0.20 -2.53 -0.05 0.00 -1.71 0.00 0.00 66.02 61.52 2kbt s SER 802 CO 0.23 -2.31 0.33 -0.22 1.20 0.00 0.00 173.24 172.47 2kbt s LEU 803 N 8.65 4.33 -0.29 3.45 2.96 -0.44 -4.69 118.68 132.66 2kbt s LEU 803 Ca 0.63 0.62 -0.01 0.00 -0.22 0.00 0.00 54.13 55.14 2kbt s LEU 803 Cb -0.12 -2.96 0.18 0.00 0.50 0.00 0.00 46.19 43.79 2kbt s LEU 803 CO 0.20 0.17 0.56 -0.75 -1.32 0.00 0.00 176.35 175.20 2kbt s LYS 804 N -2.11 0.53 0.35 1.98 2.36 -1.26 -2.90 119.74 118.70 2kbt s LYS 804 Ca 0.33 0.92 -0.22 0.00 -2.55 0.00 0.00 55.97 54.46 2kbt s LYS 804 Cb -0.13 0.38 -0.16 0.00 -1.05 0.00 0.00 37.83 36.87 2kbt s LYS 804 CO 0.20 -0.63 0.17 0.39 1.55 0.00 0.00 175.35 177.03 2kbt n GLU 805 N 5.42 0.00 -0.93 4.03 1.02 -1.26 -1.99 120.64 126.94 2kbt n GLU 805 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2kbt n GLU 805 Cb 0.51 -0.98 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 2.23 0.45 3.35 0.62 0.00 -1.21 -5.02 105.19 105.60 2kbt n GLY 806 Ca 0.12 -0.78 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.71 2.07 0.14 1.61 1.01 -0.84 -5.02 116.67 112.93 2kbt s ASP 807 Ca 0.00 -1.20 0.06 0.00 0.71 0.00 0.00 52.55 52.12 2kbt s ASP 807 Cb 0.00 -0.04 -0.04 0.00 1.01 0.00 0.00 42.92 43.85 2kbt s ASP 807 CO 0.00 -0.45 0.03 0.27 0.21 0.00 0.00 175.17 175.23 2kbt s ILE 808 N -3.30 4.04 -0.23 0.77 -0.00 -1.26 -0.67 121.20 120.54 2kbt s ILE 808 Ca 0.28 -1.16 0.01 0.00 -0.00 0.00 0.00 60.65 59.77 2kbt s ILE 808 Cb 0.05 -2.99 0.03 0.00 -0.00 0.00 0.00 42.46 39.55 2kbt s ILE 808 CO 0.09 -0.02 -0.12 -0.63 -0.00 0.00 0.00 174.94 174.26 2kbt s ILE 809 N -1.57 2.37 -0.34 8.37 1.09 0.49 -4.79 121.20 126.83 2kbt s ILE 809 Ca 0.28 -1.19 -0.29 0.00 -1.10 0.00 0.00 60.65 58.35 2kbt s ILE 809 Cb -0.10 -2.19 0.00 0.00 -1.06 0.00 0.00 42.46 39.10 2kbt s ILE 809 CO 0.20 0.25 1.37 -0.75 -0.10 0.00 0.00 174.94 175.90 2kbt s LYS 810 N 1.24 3.76 -0.14 2.79 2.47 -1.16 0.04 119.74 128.74 2kbt s LYS 810 Ca -0.01 1.14 -0.29 0.00 -1.56 0.00 0.00 55.97 55.25 2kbt s LYS 810 Cb -0.16 -3.95 -0.03 0.00 -1.46 0.00 0.00 37.83 32.23 2kbt s LYS 810 CO -0.08 -1.32 1.43 0.42 0.16 0.00 0.00 175.35 175.96 2kbt s ILE 811 N 4.87 3.98 -0.10 5.43 -1.09 -1.21 -2.93 121.20 130.16 2kbt s ILE 811 Ca 0.59 1.18 -0.06 0.00 -2.23 0.00 0.00 60.65 60.13 2kbt s ILE 811 Cb -0.16 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 36.88 2kbt s ILE 811 CO 0.28 -0.15 -0.14 0.18 -1.23 0.00 0.00 174.94 173.87 2kbt n LEU 812 N 7.02 0.89 -4.29 2.97 4.77 0.91 -4.94 117.00 124.33 2kbt n LEU 812 Ca 0.16 0.15 -0.29 0.00 -0.03 0.00 0.00 56.01 55.99 2kbt n LEU 812 Cb 0.44 -0.36 -0.16 0.00 -2.33 0.00 0.00 43.42 41.02 2kbt n LEU 812 CO 0.59 0.11 -0.56 0.21 -1.33 0.00 0.00 177.39 176.41 2kbt s ASN 813 N -6.00 2.87 -0.64 -1.43 2.47 0.56 -4.98 114.94 107.78 2kbt s ASN 813 Ca -0.15 -0.47 0.05 0.00 0.42 0.00 0.00 52.86 52.71 2kbt s ASN 813 Cb 0.05 -0.30 0.19 0.00 -1.45 0.00 0.00 41.25 39.74 2kbt s ASN 813 CO 0.19 0.28 0.55 1.17 -3.72 0.00 0.00 177.10 175.57 2kbt n LYS 814 N 2.31 1.79 0.00 0.43 3.00 -1.26 -0.42 118.16 124.02 2kbt n LYS 814 Ca -0.16 -4.34 0.00 0.00 -0.00 0.00 0.00 58.31 53.81 2kbt n LYS 814 Cb 0.52 -2.17 0.00 0.00 0.00 0.00 0.00 35.03 33.38 2kbt n LYS 814 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2kbt n LYS 815 N 1.73 0.00 -4.39 1.64 4.76 -1.25 -4.84 118.16 115.80 2kbt n LYS 815 Ca 0.24 0.26 -0.27 0.00 -2.87 0.00 0.00 58.31 55.67 2kbt n LYS 815 Cb 0.39 -1.23 -0.11 0.00 -1.84 0.00 0.00 35.03 32.24 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 -0.46 1.71 0.26 0.72 0.00 -1.22 -5.02 107.32 103.31 2kbt s GLY 816 Ca 0.00 -1.60 0.24 0.00 0.00 0.00 0.00 44.72 43.36 2kbt s GLY 816 CO 0.00 -1.63 1.44 -1.61 0.00 0.00 0.00 173.10 171.30 2kbt h GLN 817 N 3.15 0.00 0.00 2.90 5.75 -1.88 -3.31 115.11 121.71 2kbt h GLN 817 Ca -0.46 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.04 2kbt h GLN 817 Cb 1.21 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.76 2kbt h GLN 817 CO 0.49 0.00 -0.76 0.00 -2.65 0.00 0.00 178.83 175.91 2kbt n GLN 818 N -2.58 2.72 0.00 1.69 10.64 -1.26 -4.92 117.38 123.67 2kbt n GLN 818 Ca 0.03 -0.03 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2kbt n GLN 818 Cb 0.49 -0.96 0.00 0.00 -0.86 0.00 0.00 30.24 28.92 2kbt n GLN 818 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2kbt n GLY 819 N 1.62 1.77 3.30 2.61 0.00 -1.25 -4.86 105.19 108.39 2kbt n GLY 819 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.13 1.14 -0.02 1.61 -2.14 -1.25 -3.83 118.94 114.57 2kbt s TRP 820 Ca 0.00 -1.33 0.02 0.00 2.66 0.00 0.00 56.10 57.46 2kbt s TRP 820 Cb 0.00 -0.44 0.00 0.00 -3.10 0.00 0.00 33.47 29.94 2kbt s TRP 820 CO 0.00 -0.77 -0.09 -1.58 -2.66 0.00 0.00 176.95 171.85 2kbt s TRP 821 N -3.92 0.93 -0.27 1.66 0.51 -0.49 -3.44 118.94 113.92 2kbt s TRP 821 Ca 0.36 -0.22 -0.25 0.00 -2.12 0.00 0.00 56.10 53.87 2kbt s TRP 821 Cb 0.04 -0.66 -0.00 0.00 -0.81 0.00 0.00 33.47 32.05 2kbt s TRP 821 CO 0.15 -0.09 0.86 0.50 -0.51 0.00 0.00 176.95 177.86 2kbt s ARG 822 N 0.14 4.12 0.00 4.98 3.52 0.44 -2.80 118.95 129.36 2kbt s ARG 822 Ca -0.02 0.89 0.00 0.00 -0.13 0.00 0.00 55.73 56.47 2kbt s ARG 822 Cb -0.08 -3.68 0.00 0.00 -1.56 0.00 0.00 34.95 29.64 2kbt s ARG 822 CO 0.00 -0.61 0.00 0.41 -0.81 0.00 0.00 175.30 174.29 2kbt n GLY 823 N 3.85 5.15 3.40 8.12 0.00 -1.19 -0.07 105.19 124.45 2kbt n GLY 823 Ca 0.06 -1.39 -0.12 0.00 0.00 0.00 0.00 46.02 44.57 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 1.06 1.21 -0.18 1.61 2.12 -1.15 -2.87 118.70 120.50 2kbt s GLU 824 Ca 0.00 -0.49 -0.10 0.00 0.36 0.00 0.00 54.97 54.74 2kbt s GLU 824 Cb 0.00 0.55 0.06 0.00 0.26 0.00 0.00 34.13 35.00 2kbt s GLU 824 CO 0.00 -0.51 0.43 0.42 -0.54 0.00 0.00 175.26 175.06 2kbt s ILE 825 N -3.62 -0.02 -1.49 -3.70 1.01 0.15 -3.01 121.20 110.52 2kbt s ILE 825 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.74 2kbt s ILE 825 Cb -0.00 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.83 2kbt s ILE 825 CO -0.12 0.03 0.00 -1.22 0.00 0.00 0.00 174.94 173.64 2kbt n TYR 826 N 4.19 -0.91 -0.84 3.97 4.01 -1.26 0.57 117.16 126.89 2kbt n TYR 826 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 2kbt n TYR 826 Cb 0.56 -3.19 0.00 0.00 -0.31 0.00 0.00 39.34 36.40 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 -0.71 0.50 3.31 2.72 0.00 -1.26 -5.03 105.19 104.71 2kbt n GLY 827 Ca -0.18 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.46 2.91 0.45 1.61 0.52 0.19 -5.09 118.95 118.08 2kbt s ARG 828 Ca 0.00 -0.98 -0.06 0.00 -0.52 0.00 0.00 55.73 54.17 2kbt s ARG 828 Cb 0.00 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 2kbt s ARG 828 CO 0.00 -0.52 0.77 0.42 0.02 0.00 0.00 175.30 175.99 2kbt s ILE 829 N 1.45 4.89 -3.80 1.52 -1.09 -1.26 -0.67 121.20 122.24 2kbt s ILE 829 Ca 0.01 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.71 2kbt s ILE 829 Cb -0.18 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 36.87 2kbt s ILE 829 CO 0.02 -0.74 0.00 0.61 -1.23 0.00 0.00 174.94 173.60 2kbt n GLY 830 N -1.97 -0.56 3.19 6.18 0.00 -1.14 -4.48 105.19 106.42 2kbt n GLY 830 Ca 0.01 -1.00 -0.23 0.00 0.00 0.00 0.00 46.02 44.80 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 1.48 -0.00 1.61 0.52 -1.22 -3.17 118.94 115.16 2kbt s TRP 831 Ca 0.00 -0.35 -0.06 0.00 0.02 0.00 0.00 56.10 55.71 2kbt s TRP 831 Cb 0.00 -0.89 0.00 0.00 -1.15 0.00 0.00 33.47 31.43 2kbt s TRP 831 CO 0.00 0.05 0.12 -0.59 0.02 0.00 0.00 176.95 176.55 2kbt s PHE 832 N -0.78 0.04 0.44 -1.98 -0.71 -1.12 -0.35 117.98 113.51 2kbt s PHE 832 Ca 0.04 -0.11 -0.22 0.00 -1.04 0.00 0.00 56.93 55.60 2kbt s PHE 832 Cb -0.08 -0.05 -0.09 0.00 -1.21 0.00 0.00 43.02 41.59 2kbt s PHE 832 CO 0.01 -0.24 1.05 -1.25 -1.34 0.00 0.00 175.22 173.45 2kbt s PRO 833 N -1.18 4.01 0.00 1.99 0.04 -1.26 -1.40 135.00 137.20 2kbt s PRO 833 Ca -0.13 1.46 0.20 0.00 0.04 0.00 0.00 61.00 62.57 2kbt s PRO 833 Cb -0.07 -2.35 1.07 0.00 0.04 0.00 0.00 34.50 33.18 2kbt s PRO 833 CO 0.01 -0.27 1.71 -1.13 0.04 0.00 0.00 177.00 177.36 2kbt n SER 834 N -0.45 0.48 0.02 6.66 3.41 -1.25 -2.80 113.62 119.70 2kbt n SER 834 Ca 0.07 -1.47 0.11 0.00 -0.26 0.00 0.00 58.87 57.32 2kbt n SER 834 Cb 0.51 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.49 0.58 -1.10 4.04 3.02 -1.26 -4.07 115.26 115.98 2kbt n ASN 835 Ca 0.15 -0.24 -0.03 0.00 -0.03 0.00 0.00 54.58 54.43 2kbt n ASN 835 Cb 0.14 0.97 0.19 0.00 -0.61 0.00 0.00 39.78 40.48 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 -1.99 0.95 -3.63 3.10 4.02 -1.12 -4.98 117.16 113.51 2kbt n TYR 836 Ca 0.01 -1.63 -0.10 0.00 -0.01 0.00 0.00 57.90 56.16 2kbt n TYR 836 Cb 0.45 -0.46 -0.04 0.00 -0.02 0.00 0.00 39.34 39.27 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 -3.32 0.05 0.59 -0.72 -7.23 -1.25 -2.74 120.40 105.77 2kbt s VAL 837 Ca 0.44 -0.55 0.09 0.00 -1.81 0.00 0.00 61.98 60.15 2kbt s VAL 837 Cb 0.40 -1.27 0.09 0.00 0.56 0.00 0.00 36.38 36.16 2kbt s VAL 837 CO -0.02 -0.21 0.78 -1.61 -0.31 0.00 0.00 175.10 173.74 2kbt s GLU 838 N -3.82 2.26 -0.21 4.82 2.02 0.16 -4.84 118.70 119.09 2kbt s GLU 838 Ca 0.05 -1.71 -0.12 0.00 0.02 0.00 0.00 54.97 53.21 2kbt s GLU 838 Cb 0.01 -2.59 0.07 0.00 0.10 0.00 0.00 34.13 31.71 2kbt s GLU 838 CO -0.09 -0.89 0.52 -1.21 0.02 0.00 0.00 175.26 173.60 2kbt s GLU 839 N -4.66 0.51 -0.15 1.61 8.01 -1.26 -3.83 118.70 118.92 2kbt s GLU 839 Ca 0.60 0.96 0.00 0.00 0.01 0.00 0.00 54.97 56.54 2kbt s GLU 839 Cb -0.05 0.04 0.00 0.00 -4.31 0.00 0.00 34.13 29.81 2kbt s GLU 839 CO 0.38 -0.16 0.00 -3.47 0.01 0.00 0.00 175.26 172.02 2kbt n ASP 840 N 4.30 -1.33 -0.28 -0.19 2.03 -1.26 -4.69 116.55 115.13 2kbt n ASP 840 Ca -0.22 0.42 0.26 0.00 0.52 0.00 0.00 54.79 55.77 2kbt n ASP 840 Cb 0.57 -1.29 0.60 0.00 -0.72 0.00 0.00 41.12 40.28 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 0.38 -2.36 -0.67 -0.00 -1.89 -3.38 116.97 109.05 2kbt h TYR 841 Ca -0.04 0.01 -0.06 0.00 0.00 0.00 0.00 58.73 58.64 2kbt h TYR 841 Cb 0.96 -0.11 -0.26 0.00 0.00 0.00 0.00 36.73 37.32 2kbt h TYR 841 CO 0.81 0.05 -0.33 -1.54 -0.00 0.00 0.00 178.16 177.16 2kbt s SER 842 N -5.40 -0.43 0.19 0.10 1.04 -1.26 -5.16 113.70 102.79 2kbt s SER 842 Ca -0.07 1.07 -0.07 0.00 0.48 0.00 0.00 55.95 57.36 2kbt s SER 842 Cb 0.24 1.54 -0.06 0.00 0.10 0.00 0.00 66.02 67.83 2kbt s SER 842 CO 0.79 -0.23 0.47 -1.83 0.98 0.00 0.00 173.24 173.42 2kbt s GLU 843 N 2.67 3.71 -0.79 4.02 -1.05 -1.26 -4.39 118.70 121.61 2kbt s GLU 843 Ca -0.01 0.09 -0.00 0.00 -0.15 0.00 0.00 54.97 54.89 2kbt s GLU 843 Cb -0.12 -2.74 -0.00 0.00 -0.44 0.00 0.00 34.13 30.82 2kbt s GLU 843 CO -0.14 0.38 0.66 0.98 0.95 0.00 0.00 175.26 178.09 2kbt n TYR 844 N -0.07 -1.48 -0.83 4.83 4.19 -1.26 -4.96 117.16 117.57 2kbt n TYR 844 Ca -0.01 0.62 -0.34 0.00 3.31 0.00 0.00 57.90 61.49 2kbt n TYR 844 Cb 0.52 -4.02 0.11 0.00 0.49 0.00 0.00 39.34 36.44 2kbt n TYR 844 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 2kbt n LEU 845 N -3.05 -1.73 -4.76 2.98 4.77 -1.26 -4.90 117.00 109.05 2kbt n LEU 845 Ca -0.18 0.25 -0.40 0.00 -0.03 0.00 0.00 56.01 55.66 2kbt n LEU 845 Cb 0.61 -1.07 -0.04 0.00 -2.33 0.00 0.00 43.42 40.58 2kbt n LEU 845 CO 0.41 -4.09 0.77 -2.16 -1.33 0.00 0.00 177.39 170.98 2kbt s PRO 846 N -3.23 4.58 0.33 3.23 0.04 -1.26 -4.93 135.00 133.76 2kbt s PRO 846 Ca 0.53 1.72 0.26 0.00 0.04 0.00 0.00 61.00 63.55 2kbt s PRO 846 Cb -0.19 -3.08 0.87 0.00 0.04 0.00 0.00 34.50 32.14 2kbt s PRO 846 CO 0.71 0.18 1.76 0.93 0.04 0.00 0.00 177.00 180.62 2kbt h GLU 847 N 3.62 0.00 -0.02 4.56 4.39 -2.05 -3.56 114.58 121.52 2kbt h GLU 847 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2kbt h GLU 847 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2kbt h GLU 847 CO 0.66 0.00 0.00 2.41 -1.16 0.00 0.00 179.01 180.92