#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 4.45 -0.03 1.61 0.04 -1.26 -4.91 135.00 134.91 2kbt s PRO 781 Ca 0.00 1.72 0.19 0.00 0.04 0.00 0.00 61.00 62.95 2kbt s PRO 781 Cb 0.00 -3.36 0.34 0.00 0.04 0.00 0.00 34.50 31.52 2kbt s PRO 781 CO 0.00 -0.22 1.14 0.41 0.04 0.00 0.00 177.00 178.37 2kbt n GLY 782 N 3.13 1.49 3.92 0.56 0.00 -1.26 -5.09 105.19 107.94 2kbt n GLY 782 Ca 0.08 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 45.11 2kbt n GLY 782 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kbt s THR 783 N -0.46 4.49 -0.04 2.61 2.01 -1.26 -5.11 115.64 117.88 2kbt s THR 783 Ca 0.27 -0.07 -0.25 0.00 0.31 0.00 0.00 61.69 61.96 2kbt s THR 783 Cb 0.30 -3.70 0.05 0.00 0.01 0.00 0.00 72.50 69.17 2kbt s THR 783 CO -0.12 -0.63 0.55 -0.36 -0.69 0.00 0.00 174.62 173.37 2kbt s PHE 784 N -2.70 -0.49 0.00 4.92 0.08 -1.26 -5.08 117.98 113.45 2kbt s PHE 784 Ca 0.48 0.84 0.00 0.00 0.12 0.00 0.00 56.93 58.37 2kbt s PHE 784 Cb -0.10 0.29 0.00 0.00 -0.57 0.00 0.00 43.02 42.64 2kbt s PHE 784 CO 0.42 -0.52 0.00 0.41 -0.10 0.00 0.00 175.22 175.43 2kbt n GLY 785 N 1.10 1.02 3.58 4.36 0.00 -1.26 -4.92 105.19 109.07 2kbt n GLY 785 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 2.79 0.00 -0.20 2.61 -4.23 -1.26 -2.95 115.64 112.40 2kbt s THR 786 Ca 0.00 -1.43 -0.05 0.00 -1.18 0.00 0.00 61.69 59.04 2kbt s THR 786 Cb 0.00 -2.48 0.07 0.00 1.34 0.00 0.00 72.50 71.44 2kbt s THR 786 CO 0.00 0.00 0.11 0.00 -0.54 0.00 0.00 174.62 174.19 2kbt s ALA 787 N -3.39 0.38 -0.27 3.99 0.00 0.25 -4.18 121.76 118.55 2kbt s ALA 787 Ca 0.25 -0.41 -0.29 0.00 0.00 0.00 0.00 51.96 51.51 2kbt s ALA 787 Cb -0.01 -1.14 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 2kbt s ALA 787 CO 0.14 -1.28 1.37 0.21 0.00 0.00 0.00 175.76 176.20 2kbt s LYS 788 N 2.15 3.93 0.24 0.00 2.20 -1.24 0.12 119.74 127.14 2kbt s LYS 788 Ca 0.04 1.39 -0.31 0.00 -0.36 0.00 0.00 55.97 56.73 2kbt s LYS 788 Cb -0.16 -3.90 -0.12 0.00 -1.51 0.00 0.00 37.83 32.14 2kbt s LYS 788 CO -0.15 -1.11 1.66 0.00 -0.36 0.00 0.00 175.35 175.38 2kbt s ALA 789 N 4.45 3.85 -1.51 3.13 0.00 0.66 -1.24 121.76 131.10 2kbt s ALA 789 Ca 0.60 1.56 0.17 0.00 0.00 0.00 0.00 51.96 54.29 2kbt s ALA 789 Cb -0.19 -3.67 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 2kbt s ALA 789 CO 0.24 -0.93 0.88 0.54 0.00 0.00 0.00 175.76 176.48 2kbt n ARG 790 N 3.24 1.59 -3.65 0.00 5.12 0.23 -3.03 116.66 120.15 2kbt n ARG 790 Ca 0.13 -0.77 -0.07 0.00 -1.93 0.00 0.00 57.85 55.20 2kbt n ARG 790 Cb 0.36 -1.31 -0.08 0.00 -1.16 0.00 0.00 32.46 30.28 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 -2.06 -0.99 0.10 -1.55 1.51 -1.18 -4.90 117.35 108.27 2kbt s TYR 791 Ca 0.14 1.97 -0.32 0.00 -1.01 0.00 0.00 57.07 57.85 2kbt s TYR 791 Cb 0.14 0.57 -0.11 0.00 -0.11 0.00 0.00 41.96 42.45 2kbt s TYR 791 CO 0.46 -0.50 1.83 -0.40 -1.11 0.00 0.00 175.55 175.83 2kbt n ASP 792 N 4.44 3.93 -4.23 2.29 5.68 -1.26 -4.54 116.55 122.85 2kbt n ASP 792 Ca -0.20 0.99 -0.35 0.00 -0.50 0.00 0.00 54.79 54.73 2kbt n ASP 792 Cb 0.57 -1.52 -0.14 0.00 -1.14 0.00 0.00 41.12 38.89 2kbt n ASP 792 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2kbt s PHE 793 N 2.80 3.09 -0.47 2.11 5.36 -1.10 -4.95 117.98 124.82 2kbt s PHE 793 Ca 0.83 -1.43 -0.26 0.00 -0.96 0.00 0.00 56.93 55.11 2kbt s PHE 793 Cb -0.51 -2.10 0.03 0.00 -0.34 0.00 0.00 43.02 40.09 2kbt s PHE 793 CO 0.39 -0.69 0.97 0.00 -1.46 0.00 0.00 175.22 174.42 2kbt s ALA 795 N 3.91 1.72 0.46 0.00 0.00 -1.26 -4.77 121.76 121.82 2kbt s ALA 795 Ca 0.39 -0.41 0.20 0.00 0.00 0.00 0.00 51.96 52.14 2kbt s ALA 795 Cb -0.10 -4.37 1.26 0.00 0.00 0.00 0.00 23.12 19.91 2kbt s ALA 795 CO 0.27 -4.45 2.06 0.07 0.00 0.00 0.00 175.76 173.71 2kbt h ARG 796 N 16.68 0.00 -4.89 0.00 0.11 -1.92 -3.44 114.38 120.92 2kbt h ARG 796 Ca -0.20 0.00 -0.42 0.00 0.10 0.00 0.00 59.98 59.46 2kbt h ARG 796 Cb 1.18 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 32.13 2kbt h ARG 796 CO 1.17 0.13 -0.55 -0.51 0.10 0.00 0.00 179.97 180.30 2kbt s ASP 797 N -6.65 1.58 0.00 0.08 -0.00 -1.26 -5.02 116.67 105.40 2kbt s ASP 797 Ca -0.04 -1.57 0.27 0.00 -0.00 0.00 0.00 52.55 51.22 2kbt s ASP 797 Cb 0.15 0.40 1.41 0.00 -0.00 0.00 0.00 42.92 44.88 2kbt s ASP 797 CO 0.64 -0.90 1.94 -1.14 -0.00 0.00 0.00 175.17 175.72 2kbt n ARG 798 N -0.59 0.44 0.00 8.23 3.00 -1.26 -2.44 116.66 124.04 2kbt n ARG 798 Ca 0.01 0.03 0.13 0.00 -0.00 0.00 0.00 57.85 58.01 2kbt n ARG 798 Cb 0.65 -1.50 0.38 0.00 0.00 0.00 0.00 32.46 31.98 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 -1.25 0.46 -4.84 6.15 3.41 -1.26 -4.87 113.62 111.42 2kbt n SER 799 Ca 0.14 -0.21 -0.22 0.00 -0.26 0.00 0.00 58.87 58.32 2kbt n SER 799 Cb 0.20 0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.17 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 -2.89 2.96 -0.11 4.33 2.12 -1.02 -3.39 118.70 120.70 2kbt s GLU 800 Ca 0.15 -1.05 -0.04 0.00 0.36 0.00 0.00 54.97 54.39 2kbt s GLU 800 Cb 0.18 -2.59 -0.04 0.00 0.26 0.00 0.00 34.13 31.95 2kbt s GLU 800 CO 0.62 0.37 0.06 -1.17 -0.54 0.00 0.00 175.26 174.60 2kbt s LEU 801 N -3.87 3.88 -0.52 2.70 0.20 0.34 -4.30 118.68 117.11 2kbt s LEU 801 Ca 0.34 0.25 -0.29 0.00 0.69 0.00 0.00 54.13 55.12 2kbt s LEU 801 Cb -0.08 -1.92 0.03 0.00 -0.43 0.00 0.00 46.19 43.79 2kbt s LEU 801 CO 0.26 0.36 1.18 -0.55 -0.29 0.00 0.00 176.35 177.31 2kbt s SER 802 N -0.76 6.53 0.23 3.68 0.15 -1.26 -4.44 113.70 117.82 2kbt s SER 802 Ca 0.12 0.33 0.05 0.00 0.70 0.00 0.00 55.95 57.15 2kbt s SER 802 Cb -0.12 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.61 2kbt s SER 802 CO 0.03 -1.37 0.34 -0.76 1.20 0.00 0.00 173.24 172.68 2kbt s LEU 803 N 4.75 4.29 -0.26 3.45 1.02 -0.92 -4.88 118.68 126.14 2kbt s LEU 803 Ca 0.47 0.06 -0.03 0.00 0.02 0.00 0.00 54.13 54.65 2kbt s LEU 803 Cb -0.08 -2.84 0.15 0.00 0.02 0.00 0.00 46.19 43.45 2kbt s LEU 803 CO 0.29 -0.06 0.48 -0.75 0.02 0.00 0.00 176.35 176.34 2kbt s LYS 804 N -3.89 0.44 0.14 1.70 2.36 -1.26 -2.71 119.74 116.51 2kbt s LYS 804 Ca 0.34 0.84 -0.29 0.00 -2.55 0.00 0.00 55.97 54.30 2kbt s LYS 804 Cb -0.09 0.09 -0.17 0.00 -1.05 0.00 0.00 37.83 36.61 2kbt s LYS 804 CO 0.29 -0.54 0.63 0.39 1.55 0.00 0.00 175.35 177.66 2kbt n GLU 805 N 5.40 0.00 -0.77 4.03 1.02 -1.26 -0.43 120.64 128.62 2kbt n GLU 805 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2kbt n GLU 805 Cb 0.50 -1.07 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 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 1.76 0.68 3.73 0.62 0.00 -1.17 -4.99 105.19 105.83 2kbt n GLY 806 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.26 4.95 -0.02 1.61 -0.00 0.42 -4.97 116.67 116.41 2kbt s ASP 807 Ca 0.00 -0.52 0.03 0.00 -0.00 0.00 0.00 52.55 52.07 2kbt s ASP 807 Cb 0.00 -1.03 -0.03 0.00 -0.00 0.00 0.00 42.92 41.86 2kbt s ASP 807 CO 0.00 -0.08 -0.10 0.27 -0.00 0.00 0.00 175.17 175.26 2kbt s ILE 808 N -2.27 3.41 -0.28 0.77 -0.00 -1.26 -0.25 121.20 121.32 2kbt s ILE 808 Ca 0.33 -0.76 -0.05 0.00 -0.00 0.00 0.00 60.65 60.18 2kbt s ILE 808 Cb -0.06 -2.43 0.02 0.00 -0.00 0.00 0.00 42.46 39.99 2kbt s ILE 808 CO 0.22 0.47 0.03 -0.63 -0.00 0.00 0.00 174.94 175.03 2kbt s ILE 809 N -0.89 3.52 -0.24 8.37 1.09 0.33 -4.83 121.20 128.56 2kbt s ILE 809 Ca 0.15 -0.86 -0.29 0.00 -1.10 0.00 0.00 60.65 58.54 2kbt s ILE 809 Cb -0.11 -2.83 -0.02 0.00 -1.06 0.00 0.00 42.46 38.44 2kbt s ILE 809 CO 0.04 0.10 1.63 -0.75 -0.10 0.00 0.00 174.94 175.86 2kbt s LYS 810 N 1.42 3.73 -0.01 2.79 2.47 -1.14 0.87 119.74 129.86 2kbt s LYS 810 Ca 0.01 1.60 -0.30 0.00 -1.56 0.00 0.00 55.97 55.73 2kbt s LYS 810 Cb -0.17 -4.05 -0.04 0.00 -1.46 0.00 0.00 37.83 32.10 2kbt s LYS 810 CO -0.00 -1.37 1.21 0.42 0.16 0.00 0.00 175.35 175.77 2kbt s ILE 811 N 5.40 4.15 -0.03 5.43 -1.09 -1.15 -2.78 121.20 131.13 2kbt s ILE 811 Ca 0.72 1.51 0.00 0.00 -2.23 0.00 0.00 60.65 60.65 2kbt s ILE 811 Cb -0.24 -3.97 -0.02 0.00 -1.58 0.00 0.00 42.46 36.65 2kbt s ILE 811 CO 0.30 0.04 -0.03 0.18 -1.23 0.00 0.00 174.94 174.20 2kbt n LEU 812 N 4.78 2.96 -3.98 2.97 4.77 -1.12 -4.58 117.00 122.80 2kbt n LEU 812 Ca 0.10 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 2kbt n LEU 812 Cb 0.46 -0.11 -0.13 0.00 -2.33 0.00 0.00 43.42 41.32 2kbt n LEU 812 CO 0.56 0.55 -0.38 0.20 -1.33 0.00 0.00 177.39 176.98 2kbt s ASN 813 N -4.31 0.49 -0.39 -1.43 -0.87 -1.25 -5.04 114.94 102.14 2kbt s ASN 813 Ca -0.04 -0.31 0.01 0.00 -1.57 0.00 0.00 52.86 50.95 2kbt s ASN 813 Cb 0.01 0.01 0.13 0.00 -0.02 0.00 0.00 41.25 41.39 2kbt s ASN 813 CO 0.07 -0.11 0.21 -0.54 -2.57 0.00 0.00 177.10 174.16 2kbt s LYS 814 N -0.85 0.95 0.56 -0.60 1.02 -1.26 -2.05 119.74 117.51 2kbt s LYS 814 Ca -0.06 -1.64 0.49 0.00 0.02 0.00 0.00 55.97 54.78 2kbt s LYS 814 Cb -0.06 -1.92 1.69 0.00 -0.52 0.00 0.00 37.83 37.02 2kbt s LYS 814 CO -0.00 -1.16 1.57 0.87 -0.92 0.00 0.00 175.35 175.72 2kbt h LYS 815 N 7.01 0.00 0.00 1.68 1.79 -1.99 -3.45 116.57 121.62 2kbt h LYS 815 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 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 0.40 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.18 2kbt n GLY 816 N -1.91 1.41 3.54 3.86 0.00 -1.26 -5.00 105.19 105.83 2kbt n GLY 816 Ca 0.42 -0.64 -0.31 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 -0.76 -1.02 1.61 1.13 -1.26 -4.90 117.38 112.18 2kbt n GLN 817 Ca 0.00 -0.17 -0.35 0.00 -1.94 0.00 0.00 57.00 54.54 2kbt n GLN 817 Cb 0.00 -2.16 0.07 0.00 0.11 0.00 0.00 30.24 28.26 2kbt n GLN 817 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2kbt n GLN 818 N -3.48 -0.02 0.00 -1.09 7.27 -1.26 -4.65 117.38 114.15 2kbt n GLN 818 Ca 0.09 0.02 0.00 0.00 0.07 0.00 0.00 57.00 57.17 2kbt n GLN 818 Cb 0.53 -1.46 0.00 0.00 2.41 0.00 0.00 30.24 31.72 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 2.33 0.59 3.30 1.69 0.00 -1.26 -5.09 105.19 106.75 2kbt n GLY 819 Ca 0.05 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 1.18 0.04 1.61 -2.14 -1.26 -4.04 118.94 114.34 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 -0.02 0.00 -3.10 0.00 0.00 33.47 29.90 2kbt s TRP 820 CO 0.00 -0.79 -0.11 -1.58 -2.66 0.00 0.00 176.95 171.81 2kbt s TRP 821 N -3.87 0.93 0.34 1.66 0.51 0.78 -4.42 118.94 114.86 2kbt s TRP 821 Ca 0.36 -0.39 -0.09 0.00 -2.12 0.00 0.00 56.10 53.86 2kbt s TRP 821 Cb 0.04 -0.55 -0.06 0.00 -0.81 0.00 0.00 33.47 32.09 2kbt s TRP 821 CO 0.16 -0.01 0.66 0.50 -0.51 0.00 0.00 176.95 177.76 2kbt s ARG 822 N -1.29 3.74 0.00 4.98 3.52 -0.87 -2.29 118.95 126.74 2kbt s ARG 822 Ca -0.03 0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.85 2kbt s ARG 822 Cb -0.08 -2.52 0.00 0.00 -1.56 0.00 0.00 34.95 30.79 2kbt s ARG 822 CO 0.01 0.11 0.00 0.41 -0.81 0.00 0.00 175.30 175.02 2kbt n GLY 823 N -0.99 -1.25 3.32 8.12 0.00 -1.18 -2.80 105.19 110.41 2kbt n GLY 823 Ca 0.01 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.15 1.05 -0.17 1.61 2.12 -1.12 -2.58 118.70 119.47 2kbt s GLU 824 Ca 0.00 -0.66 -0.12 0.00 0.36 0.00 0.00 54.97 54.56 2kbt s GLU 824 Cb 0.00 0.46 0.05 0.00 0.26 0.00 0.00 34.13 34.90 2kbt s GLU 824 CO 0.00 -0.40 0.42 0.42 -0.54 0.00 0.00 175.26 175.16 2kbt s ILE 825 N -3.62 -0.01 -1.28 -3.70 1.01 -0.08 -2.91 121.20 110.62 2kbt s ILE 825 Ca 0.02 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.72 2kbt s ILE 825 Cb 0.01 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.88 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 3.61 -0.15 -0.59 3.97 4.01 -1.26 0.67 117.16 127.41 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 -2.62 0.00 0.00 -0.31 0.00 0.00 39.34 36.97 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 -0.01 0.82 3.22 2.72 0.00 -1.26 -5.06 105.19 105.62 2kbt n GLY 827 Ca -0.12 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.30 3.00 0.35 1.61 1.81 0.21 -5.10 118.95 119.52 2kbt s ARG 828 Ca 0.00 -0.87 -0.11 0.00 -1.72 0.00 0.00 55.73 53.03 2kbt s ARG 828 Cb 0.00 -2.95 -0.07 0.00 -0.45 0.00 0.00 34.95 31.48 2kbt s ARG 828 CO 0.00 -0.33 0.71 0.42 -0.68 0.00 0.00 175.30 175.42 2kbt s ILE 829 N 1.36 4.80 -2.01 1.52 -1.09 -1.26 -0.90 121.20 123.62 2kbt s ILE 829 Ca 0.02 0.63 0.00 0.00 -2.23 0.00 0.00 60.65 59.07 2kbt s ILE 829 Cb -0.16 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 2kbt s ILE 829 CO -0.05 -0.36 0.00 0.61 -1.23 0.00 0.00 174.94 173.91 2kbt n GLY 830 N -0.87 -0.96 3.44 6.18 0.00 -1.06 -4.79 105.19 107.12 2kbt n GLY 830 Ca 0.02 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 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 1.97 -0.07 1.61 0.52 -1.22 -3.07 118.94 115.67 2kbt s TRP 831 Ca 0.00 -0.73 -0.29 0.00 0.02 0.00 0.00 56.10 55.09 2kbt s TRP 831 Cb 0.00 -1.16 0.11 0.00 -1.15 0.00 0.00 33.47 31.27 2kbt s TRP 831 CO 0.00 0.25 0.90 -0.59 0.02 0.00 0.00 176.95 177.52 2kbt s PHE 832 N -3.04 -0.41 0.45 -1.98 -0.71 -0.97 0.13 117.98 111.45 2kbt s PHE 832 Ca 0.31 0.53 -0.22 0.00 -1.04 0.00 0.00 56.93 56.51 2kbt s PHE 832 Cb 0.05 0.48 -0.09 0.00 -1.21 0.00 0.00 43.02 42.25 2kbt s PHE 832 CO 0.13 -0.47 1.04 -1.25 -1.34 0.00 0.00 175.22 173.32 2kbt s PRO 833 N -1.98 3.95 0.00 1.99 0.04 -1.26 -0.16 135.00 137.57 2kbt s PRO 833 Ca -0.00 1.43 0.21 0.00 0.04 0.00 0.00 61.00 62.68 2kbt s PRO 833 Cb -0.01 -2.28 0.83 0.00 0.04 0.00 0.00 34.50 33.08 2kbt s PRO 833 CO -0.02 -0.32 1.59 -1.13 0.04 0.00 0.00 177.00 177.17 2kbt n SER 834 N -0.60 1.45 0.01 6.66 3.41 -1.26 -3.28 113.62 120.02 2kbt n SER 834 Ca 0.08 -1.65 0.11 0.00 -0.26 0.00 0.00 58.87 57.14 2kbt n SER 834 Cb 0.51 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.17 0.64 -0.09 4.04 4.13 -1.26 -4.02 115.26 118.88 2kbt n ASN 835 Ca 0.16 -0.38 0.05 0.00 1.68 0.00 0.00 54.58 56.09 2kbt n ASN 835 Cb 0.30 0.87 -0.04 0.00 -1.54 0.00 0.00 39.78 39.37 2kbt n ASN 835 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2kbt n TYR 836 N -1.82 0.00 -4.41 3.10 4.02 -1.21 -5.00 117.16 111.84 2kbt n TYR 836 Ca 0.02 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.65 2kbt n TYR 836 Cb 0.41 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.64 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 -1.81 2.26 0.46 -0.72 -7.23 -1.21 -0.60 120.40 111.54 2kbt s VAL 837 Ca 0.06 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.36 2kbt s VAL 837 Cb 0.08 -2.91 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 2kbt s VAL 837 CO 0.38 -0.07 0.30 -1.61 -0.31 0.00 0.00 175.10 173.79 2kbt s GLU 838 N -3.75 2.32 -0.18 4.82 2.02 -0.37 -4.84 118.70 118.71 2kbt s GLU 838 Ca 0.36 -1.83 -0.17 0.00 0.02 0.00 0.00 54.97 53.36 2kbt s GLU 838 Cb 0.05 -2.12 0.05 0.00 0.10 0.00 0.00 34.13 32.21 2kbt s GLU 838 CO 0.19 -0.30 0.48 -1.21 0.02 0.00 0.00 175.26 174.45 2kbt s GLU 839 N -4.08 0.56 -0.04 1.61 0.41 -1.26 -3.61 118.70 112.29 2kbt s GLU 839 Ca 0.40 0.68 0.00 0.00 -0.41 0.00 0.00 54.97 55.64 2kbt s GLU 839 Cb -0.00 0.27 0.00 0.00 -1.78 0.00 0.00 34.13 32.62 2kbt s GLU 839 CO 0.23 -0.07 0.00 -3.47 -0.49 0.00 0.00 175.26 171.46 2kbt n ASP 840 N 2.87 -1.10 0.27 -0.19 -0.08 -1.26 -4.69 116.55 112.35 2kbt n ASP 840 Ca -0.14 0.49 0.09 0.00 -1.51 0.00 0.00 54.79 53.72 2kbt n ASP 840 Cb 0.57 -1.08 0.69 0.00 2.34 0.00 0.00 41.12 43.63 2kbt n ASP 840 CO 0.00 0.00 0.00 0.10 0.12 0.00 0.00 177.20 177.42 2kbt h TYR 841 N 0.00 0.00 -3.90 -0.67 -0.00 -1.89 -3.44 116.97 107.06 2kbt h TYR 841 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.52 2kbt h TYR 841 Cb 1.00 0.00 -0.07 0.00 0.00 0.00 0.00 36.73 37.66 2kbt h TYR 841 CO 0.89 0.02 -0.13 -1.54 -0.00 0.00 0.00 178.16 177.40 2kbt s SER 842 N -6.84 0.60 -0.13 0.10 1.04 -1.26 -5.18 113.70 102.03 2kbt s SER 842 Ca -0.05 -1.34 -0.30 0.00 0.48 0.00 0.00 55.95 54.74 2kbt s SER 842 Cb 0.16 0.67 0.13 0.00 0.10 0.00 0.00 66.02 67.08 2kbt s SER 842 CO 0.64 -1.31 1.02 -0.70 0.98 0.00 0.00 173.24 173.88 2kbt s GLU 843 N -3.16 0.58 -0.82 4.02 2.12 -1.26 -4.99 118.70 115.19 2kbt s GLU 843 Ca 0.27 -0.04 -0.05 0.00 0.36 0.00 0.00 54.97 55.51 2kbt s GLU 843 Cb -0.01 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.66 2kbt s GLU 843 CO 0.17 -0.22 0.72 0.98 -0.54 0.00 0.00 175.26 176.37 2kbt n TYR 844 N 0.29 -1.73 -0.82 5.30 4.19 -1.26 -4.97 117.16 118.16 2kbt n TYR 844 Ca -0.07 0.62 -0.34 0.00 3.31 0.00 0.00 57.90 61.42 2kbt n TYR 844 Cb 0.59 -3.55 0.11 0.00 0.49 0.00 0.00 39.34 36.99 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 -3.23 -2.21 -4.79 2.98 4.32 -1.26 -4.95 117.00 107.85 2kbt n LEU 845 Ca -0.02 0.13 -0.29 0.00 -0.02 0.00 0.00 56.01 55.82 2kbt n LEU 845 Cb 0.55 -0.97 0.13 0.00 -1.62 0.00 0.00 43.42 41.51 2kbt n LEU 845 CO 0.40 -3.79 0.71 -2.16 -1.22 0.00 0.00 177.39 171.33 2kbt s PRO 846 N -3.10 1.18 0.25 3.23 0.04 -1.26 -4.98 135.00 130.37 2kbt s PRO 846 Ca 0.51 0.30 -0.30 0.00 0.04 0.00 0.00 61.00 61.55 2kbt s PRO 846 Cb -0.14 -1.84 -0.10 0.00 0.04 0.00 0.00 34.50 32.45 2kbt s PRO 846 CO 0.70 -2.17 1.49 -1.21 0.04 0.00 0.00 177.00 175.84 2kbt s GLU 847 N -5.28 4.23 0.00 4.56 0.41 -1.26 -5.27 118.70 116.09 2kbt s GLU 847 Ca 0.64 2.38 0.00 0.00 -0.41 0.00 0.00 54.97 57.57 2kbt s GLU 847 Cb -0.15 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.11 2kbt s GLU 847 CO 0.53 -0.49 0.00 2.41 -0.49 0.00 0.00 175.26 177.22