#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rmj s SER 793 N 0.00 4.64 -0.07 -2.24 0.01 -1.26 -5.01 113.70 109.78 2rmj s SER 793 Ca 0.00 -0.28 0.14 0.00 1.31 0.00 0.00 55.95 57.12 2rmj s SER 793 Cb 0.00 -0.99 0.44 0.00 0.21 0.00 0.00 66.02 65.68 2rmj s SER 793 CO 0.00 0.19 1.37 0.00 0.41 0.00 0.00 173.24 175.21 2rmj n GLN 794 N 0.77 3.01 -0.59 12.44 1.13 -1.26 -5.02 117.38 127.85 2rmj n GLN 794 Ca -0.13 -2.42 -0.30 0.00 -1.94 0.00 0.00 57.00 52.21 2rmj n GLN 794 Cb 0.52 -1.53 0.21 0.00 0.11 0.00 0.00 30.24 29.55 2rmj n GLN 794 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 2rmj n GLU 795 N 0.37 -1.82 -4.14 -1.09 0.28 -1.26 -5.05 120.64 107.93 2rmj n GLU 795 Ca 0.17 -0.50 -0.13 0.00 -0.16 0.00 0.00 57.16 56.54 2rmj n GLU 795 Cb 0.63 -1.99 -0.11 0.00 1.43 0.00 0.00 31.44 31.40 2rmj n GLU 795 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2rmj s LYS 796 N -4.01 0.75 0.68 3.44 -0.14 -1.26 -5.15 119.74 114.04 2rmj s LYS 796 Ca 0.63 -1.11 -0.11 0.00 -1.36 0.00 0.00 55.97 54.02 2rmj s LYS 796 Cb -0.20 -0.34 0.00 0.00 -1.68 0.00 0.00 37.83 35.61 2rmj s LYS 796 CO 0.65 0.04 1.06 -1.25 -0.76 0.00 0.00 175.35 175.09 2rmj s PRO 797 N -2.83 3.01 0.20 -1.68 0.04 -1.26 -5.08 135.00 127.40 2rmj s PRO 797 Ca 0.03 0.99 0.10 0.00 0.04 0.00 0.00 61.00 62.16 2rmj s PRO 797 Cb -0.02 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2rmj s PRO 797 CO -0.02 -1.05 -0.11 -1.59 0.04 0.00 0.00 177.00 174.28 2rmj s LYS 798 N -4.91 1.99 0.26 4.56 0.00 -1.26 -5.11 119.74 115.28 2rmj s LYS 798 Ca 0.59 -1.37 -0.30 0.00 0.00 0.00 0.00 55.97 54.89 2rmj s LYS 798 Cb -0.14 -2.08 -0.09 0.00 0.00 0.00 0.00 37.83 35.51 2rmj s LYS 798 CO 0.52 0.41 1.08 -1.25 0.00 0.00 0.00 175.35 176.12 2rmj s PRO 799 N -3.00 4.66 -0.04 1.78 0.04 -1.26 -5.05 135.00 132.12 2rmj s PRO 799 Ca 0.26 1.76 0.06 0.00 0.04 0.00 0.00 61.00 63.12 2rmj s PRO 799 Cb -0.08 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 2rmj s PRO 799 CO 0.15 0.22 -0.23 0.54 0.04 0.00 0.00 177.00 177.73 2rmj s VAL 800 N -1.03 1.85 0.00 -0.36 0.11 -1.26 -5.09 120.40 114.62 2rmj s VAL 800 Ca 0.45 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 2rmj s VAL 800 Cb -0.31 -1.56 0.00 0.00 -1.53 0.00 0.00 36.38 32.98 2rmj s VAL 800 CO 0.39 0.52 0.01 -0.81 -3.33 0.00 0.00 175.10 171.88 2rmj n PRO 801 N 2.83 0.00 -3.73 1.54 -0.04 -1.26 -5.09 135.00 129.25 2rmj n PRO 801 Ca -0.17 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.28 2rmj n PRO 801 Cb 0.52 -0.16 -0.00 0.00 -0.04 0.00 0.00 33.50 33.82 2rmj n PRO 801 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2rmj s ASP 802 N -1.25 -0.09 -0.23 3.54 2.15 -1.26 -5.19 116.67 114.34 2rmj s ASP 802 Ca 0.00 -0.30 -0.37 0.00 0.43 0.00 0.00 52.55 52.31 2rmj s ASP 802 Cb 0.00 0.32 0.15 0.00 -0.30 0.00 0.00 42.92 43.09 2rmj s ASP 802 CO 0.00 -0.60 1.33 -0.54 -0.17 0.00 0.00 175.17 175.19 2rmj s LYS 803 N -2.68 0.13 0.00 4.34 1.02 -1.26 -4.97 119.74 116.32 2rmj s LYS 803 Ca 0.15 -0.05 0.00 0.00 0.02 0.00 0.00 55.97 56.09 2rmj s LYS 803 Cb 0.01 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 2rmj s LYS 803 CO -0.00 -0.06 0.52 -0.85 -0.92 0.00 0.00 175.35 174.04 2rmj n GLU 804 N -0.10 0.24 -4.58 1.68 0.00 -1.26 -5.04 120.64 111.59 2rmj n GLU 804 Ca 0.02 -0.64 -0.27 0.00 0.00 0.00 0.00 57.16 56.27 2rmj n GLU 804 Cb 0.58 -0.85 -0.14 0.00 0.00 0.00 0.00 31.44 31.03 2rmj n GLU 804 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2rmj s ASN 805 N -0.24 2.84 0.11 -1.84 3.04 -1.26 -4.90 114.94 112.69 2rmj s ASN 805 Ca 0.00 -0.62 0.08 0.00 0.04 0.00 0.00 52.86 52.36 2rmj s ASN 805 Cb 0.00 -0.22 -0.04 0.00 -1.54 0.00 0.00 41.25 39.46 2rmj s ASN 805 CO 0.00 0.17 -0.20 -0.75 -3.04 0.00 0.00 177.10 173.28 2rmj s LYS 806 N -1.53 1.12 0.26 0.43 2.20 -1.26 -4.44 119.74 116.52 2rmj s LYS 806 Ca 0.10 -1.18 0.01 0.00 -0.36 0.00 0.00 55.97 54.54 2rmj s LYS 806 Cb -0.10 -1.34 -0.04 0.00 -1.51 0.00 0.00 37.83 34.84 2rmj s LYS 806 CO 0.03 0.31 0.44 0.21 -0.36 0.00 0.00 175.35 175.98 2rmj s LYS 807 N -2.02 3.49 0.02 4.03 2.20 0.19 -0.11 119.74 127.54 2rmj s LYS 807 Ca 0.07 -0.45 0.05 0.00 -0.36 0.00 0.00 55.97 55.28 2rmj s LYS 807 Cb -0.09 -2.79 -0.02 0.00 -1.51 0.00 0.00 37.83 33.42 2rmj s LYS 807 CO 0.04 0.32 -0.14 -0.51 -0.36 0.00 0.00 175.35 174.71 2rmj s LEU 808 N -3.83 2.11 0.38 5.43 1.02 0.21 0.17 118.68 124.16 2rmj s LEU 808 Ca 0.38 -0.36 0.05 0.00 0.02 0.00 0.00 54.13 54.21 2rmj s LEU 808 Cb -0.10 -0.65 -0.06 0.00 0.02 0.00 0.00 46.19 45.40 2rmj s LEU 808 CO 0.31 0.09 0.04 -0.76 0.02 0.00 0.00 176.35 176.06 2rmj s LEU 809 N -0.77 2.47 -0.32 1.79 1.02 -0.51 -0.12 118.68 122.24 2rmj s LEU 809 Ca 0.03 -1.42 -0.10 0.00 0.02 0.00 0.00 54.13 52.67 2rmj s LEU 809 Cb -0.07 -0.61 -0.00 0.00 0.02 0.00 0.00 46.19 45.53 2rmj s LEU 809 CO 0.00 -0.59 0.16 0.00 0.02 0.00 0.00 176.35 175.95 2rmj h ARG 811 N 8.36 0.00 0.00 0.00 1.12 -1.88 1.48 114.38 123.46 2rmj h ARG 811 Ca -0.31 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.56 2rmj h ARG 811 Cb 1.14 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.10 2rmj h ARG 811 CO 0.62 0.00 0.00 1.63 -3.11 0.00 0.00 179.97 179.11 2rmj n LYS 812 N -3.11 0.00 -0.30 0.20 4.76 -1.26 -3.72 118.16 114.72 2rmj n LYS 812 Ca 0.04 0.44 0.08 0.00 -2.87 0.00 0.00 58.31 56.00 2rmj n LYS 812 Cb 0.66 -1.13 0.18 0.00 -1.84 0.00 0.00 35.03 32.90 2rmj n LYS 812 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rmj n LYS 814 N -1.21 -1.48 -4.05 0.00 4.76 0.50 -4.98 118.16 111.72 2rmj n LYS 814 Ca 0.19 1.03 -0.13 0.00 -2.87 0.00 0.00 58.31 56.54 2rmj n LYS 814 Cb 0.72 -3.53 -0.12 0.00 -1.84 0.00 0.00 35.03 30.26 2rmj n LYS 814 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rmj s ALA 815 N -2.97 0.42 0.14 7.82 0.00 -1.11 -4.80 121.76 121.25 2rmj s ALA 815 Ca 0.01 -0.60 -0.32 0.00 0.00 0.00 0.00 51.96 51.05 2rmj s ALA 815 Cb -0.00 0.04 -0.18 0.00 0.00 0.00 0.00 23.12 22.98 2rmj s ALA 815 CO 0.84 -0.03 0.70 -0.11 0.00 0.00 0.00 175.76 177.16 2rmj n LEU 816 N 1.82 -0.80 0.00 0.00 -0.00 -1.26 0.95 117.00 117.71 2rmj n LEU 816 Ca -0.21 1.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.94 2rmj n LEU 816 Cb 0.56 -0.95 0.00 0.00 -0.00 0.00 0.00 43.42 43.02 2rmj n LEU 816 CO 0.22 -2.63 -0.34 0.00 -0.00 0.00 0.00 177.39 174.64 2rmj n ALA 817 N 0.46 2.67 -3.30 1.96 0.00 0.83 -4.60 120.51 118.53 2rmj n ALA 817 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.66 2rmj n ALA 817 Cb 0.20 0.34 0.01 0.00 0.00 0.00 0.00 19.45 20.00 2rmj n ALA 817 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rmj s TYR 819 N -3.85 1.13 0.40 0.00 2.02 -1.26 0.63 117.35 116.42 2rmj s TYR 819 Ca 0.08 -0.41 0.35 0.00 -0.37 0.00 0.00 57.07 56.72 2rmj s TYR 819 Cb -0.01 -0.65 1.73 0.00 -0.40 0.00 0.00 41.96 42.62 2rmj s TYR 819 CO 0.01 0.03 2.14 0.00 -1.57 0.00 0.00 175.55 176.16 2rmj h THR 820 N 4.43 0.23 0.00 -0.71 1.03 -0.82 0.22 112.91 117.28 2rmj h THR 820 Ca -0.39 -0.37 0.00 0.00 -0.01 0.00 0.00 66.41 65.65 2rmj h THR 820 Cb 1.19 1.29 0.00 0.00 -1.07 0.00 0.00 68.15 69.56 2rmj h THR 820 CO 0.42 0.05 0.00 0.00 -0.01 0.00 0.00 175.52 175.98 2rmj n ALA 821 N -2.16 1.93 -0.54 0.00 0.00 -1.26 -1.85 120.51 116.63 2rmj n ALA 821 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2rmj n ALA 821 Cb 0.21 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2rmj n ALA 821 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2rmj n ASP 822 N -1.31 0.88 -4.64 0.00 10.43 -0.01 -5.02 116.55 116.87 2rmj n ASP 822 Ca 0.08 -1.42 -0.38 0.00 2.57 0.00 0.00 54.79 55.64 2rmj n ASP 822 Cb 0.15 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 43.01 2rmj n ASP 822 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2rmj s VAL 823 N -0.42 5.27 -0.05 2.53 0.11 -0.75 0.14 120.40 127.24 2rmj s VAL 823 Ca 0.00 0.39 -0.00 0.00 -2.93 0.00 0.00 61.98 59.44 2rmj s VAL 823 Cb 0.00 -3.60 0.03 0.00 -1.53 0.00 0.00 36.38 31.27 2rmj s VAL 823 CO 0.00 0.27 -0.00 -0.13 -3.33 0.00 0.00 175.10 171.90 2rmj s ARG 824 N 1.46 0.48 0.21 1.54 0.52 0.10 -4.93 118.95 118.32 2rmj s ARG 824 Ca 0.12 0.08 -0.02 0.00 -0.52 0.00 0.00 55.73 55.38 2rmj s ARG 824 Cb -0.15 -0.72 -0.05 0.00 0.52 0.00 0.00 34.95 34.56 2rmj s ARG 824 CO 0.08 -0.20 0.42 0.14 0.02 0.00 0.00 175.30 175.76 2rmj s VAL 825 N 1.42 5.16 -0.97 3.52 -7.23 -1.26 -2.70 120.40 118.34 2rmj s VAL 825 Ca -0.04 -0.20 -0.13 0.00 -1.81 0.00 0.00 61.98 59.80 2rmj s VAL 825 Cb -0.13 -3.71 0.22 0.00 0.56 0.00 0.00 36.38 33.32 2rmj s VAL 825 CO -0.03 -0.17 1.00 -0.63 -0.31 0.00 0.00 175.10 174.96 2rmj s ILE 826 N -1.88 5.56 -1.41 -0.62 1.01 -1.12 -3.83 121.20 118.91 2rmj s ILE 826 Ca 0.40 -2.67 0.00 0.00 0.00 0.00 0.00 60.65 58.38 2rmj s ILE 826 Cb -0.11 -4.60 0.00 0.00 0.01 0.00 0.00 42.46 37.76 2rmj s ILE 826 CO 0.28 -1.21 0.00 -0.62 0.00 0.00 0.00 174.94 173.40 2rmj n GLU 827 N 4.09 -1.13 -3.39 2.79 -0.58 -1.26 -2.11 120.64 119.05 2rmj n GLU 827 Ca 0.21 0.86 -0.19 0.00 -0.42 0.00 0.00 57.16 57.61 2rmj n GLU 827 Cb 0.44 -5.10 0.07 0.00 -0.57 0.00 0.00 31.44 26.28 2rmj n GLU 827 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2rmj n GLU 828 N -2.49 -6.51 -0.05 3.49 1.02 -1.26 -4.90 120.64 109.94 2rmj n GLU 828 Ca -0.17 0.68 -0.06 0.00 -0.02 0.00 0.00 57.16 57.60 2rmj n GLU 828 Cb 0.57 -5.28 -0.05 0.00 -0.02 0.00 0.00 31.44 26.66 2rmj n GLU 828 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rmj s HIS 830 N -2.19 0.70 -0.36 0.00 3.76 -1.26 -4.98 115.29 110.96 2rmj s HIS 830 Ca -0.11 -1.01 -0.02 0.00 -0.15 0.00 0.00 55.06 53.77 2rmj s HIS 830 Cb 0.03 -0.45 0.08 0.00 1.11 0.00 0.00 32.58 33.35 2rmj s HIS 830 CO 0.25 -0.29 0.11 0.71 -0.85 0.00 0.00 174.74 174.67 2rmj s TYR 831 N -3.80 3.48 0.28 1.40 2.02 -0.91 -2.80 117.35 117.02 2rmj s TYR 831 Ca 0.10 -2.25 0.11 0.00 -0.37 0.00 0.00 57.07 54.66 2rmj s TYR 831 Cb 0.07 -2.76 -0.05 0.00 -0.40 0.00 0.00 41.96 38.82 2rmj s TYR 831 CO -0.07 -0.90 -0.16 0.99 -1.57 0.00 0.00 175.55 173.83 2rmj s THR 832 N 1.16 2.30 0.02 -0.71 2.01 -1.10 -1.72 115.64 117.60 2rmj s THR 832 Ca 0.03 -2.33 0.02 0.00 0.31 0.00 0.00 61.69 59.72 2rmj s THR 832 Cb -0.21 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 69.94 2rmj s THR 832 CO -0.03 -0.38 -0.07 -0.69 -0.69 0.00 0.00 174.62 172.76 2rmj s VAL 833 N -2.61 0.53 0.39 3.82 1.01 -1.26 0.00 120.40 122.28 2rmj s VAL 833 Ca 0.30 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.72 2rmj s VAL 833 Cb -0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2rmj s VAL 833 CO 0.14 -0.09 0.31 -0.76 0.00 0.00 0.00 175.10 174.71 2rmj s LEU 834 N -0.79 3.40 0.00 3.92 1.02 0.12 -4.96 118.68 121.38 2rmj s LEU 834 Ca -0.03 -0.73 0.00 0.00 0.02 0.00 0.00 54.13 53.39 2rmj s LEU 834 Cb -0.06 -1.99 0.00 0.00 0.02 0.00 0.00 46.19 44.16 2rmj s LEU 834 CO 0.00 -0.54 0.00 0.61 0.02 0.00 0.00 176.35 176.44 2rmj n GLY 835 N -1.44 2.44 0.31 -3.19 0.00 -1.26 -4.64 105.19 97.40 2rmj n GLY 835 Ca 0.01 -1.34 0.14 0.00 0.00 0.00 0.00 46.02 44.83 2rmj n GLY 835 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2rmj h ASP 836 N 0.00 0.00 -1.00 1.61 3.04 -1.94 0.29 116.42 118.42 2rmj h ASP 836 Ca 0.00 0.00 0.09 0.00 -3.24 0.00 0.00 57.03 53.88 2rmj h ASP 836 Cb 0.00 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.21 2rmj h ASP 836 CO 0.00 0.00 0.64 0.00 -2.04 0.00 0.00 179.24 177.84 2rmj h ALA 837 N 1.90 1.48 0.00 4.15 0.00 -2.01 0.15 119.26 124.94 2rmj h ALA 837 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2rmj h ALA 837 Cb 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2rmj h ALA 837 CO -0.00 0.32 -0.43 0.34 0.00 0.00 0.00 179.25 179.48 2rmj n PHE 838 N -4.56 0.60 0.08 0.00 7.35 0.03 -3.53 117.46 117.43 2rmj n PHE 838 Ca 0.17 0.17 -0.04 0.00 -0.76 0.00 0.00 57.45 57.00 2rmj n PHE 838 Cb 0.28 -0.70 0.17 0.00 0.35 0.00 0.00 39.48 39.57 2rmj n PHE 838 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2rmj h LYS 839 N 0.00 0.28 -0.00 -4.13 1.57 -0.06 -2.35 116.57 111.89 2rmj h LYS 839 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 2rmj h LYS 839 Cb 0.72 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2rmj h LYS 839 CO 0.00 0.71 -0.30 -0.85 -0.57 0.00 0.00 179.45 178.44 2rmj n GLU 840 N -3.97 0.32 0.08 3.15 0.28 -0.80 -3.45 120.64 116.24 2rmj n GLU 840 Ca -0.02 -0.16 -0.05 0.00 -0.16 0.00 0.00 57.16 56.77 2rmj n GLU 840 Cb 0.54 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.84 2rmj n GLU 840 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2rmj n PHE 842 N -3.39 -0.28 -3.87 0.00 -1.74 -1.14 -1.35 117.46 105.68 2rmj n PHE 842 Ca 0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 57.45 56.80 2rmj n PHE 842 Cb 0.88 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.80 2rmj n PHE 842 CO 0.00 0.00 0.00 0.14 -0.56 0.00 0.00 176.76 176.34 2rmj s VAL 843 N -0.80 0.14 -0.20 1.97 -7.23 0.15 -4.25 120.40 110.17 2rmj s VAL 843 Ca 0.00 -1.12 0.01 0.00 -1.81 0.00 0.00 61.98 59.05 2rmj s VAL 843 Cb 0.00 -1.20 0.04 0.00 0.56 0.00 0.00 36.38 35.78 2rmj s VAL 843 CO 0.00 -0.62 -0.10 -0.94 -0.31 0.00 0.00 175.10 173.13 2rmj s SER 844 N -2.60 3.44 -0.33 4.85 1.04 -1.26 -2.09 113.70 116.76 2rmj s SER 844 Ca 0.02 -0.92 -0.17 0.00 0.48 0.00 0.00 55.95 55.36 2rmj s SER 844 Cb 0.03 -1.23 -0.01 0.00 0.10 0.00 0.00 66.02 64.91 2rmj s SER 844 CO -0.09 -0.15 0.47 -0.13 0.98 0.00 0.00 173.24 174.32 2rmj s ARG 845 N 1.40 3.73 -1.13 4.02 1.81 0.12 -4.97 118.95 123.93 2rmj s ARG 845 Ca -0.02 -0.11 -0.15 0.00 -1.72 0.00 0.00 55.73 53.73 2rmj s ARG 845 Cb -0.16 -3.77 -0.07 0.00 -0.45 0.00 0.00 34.95 30.50 2rmj s ARG 845 CO -0.08 -0.54 2.18 -0.35 -0.68 0.00 0.00 175.30 175.83 2rmj n PRO 846 N 5.60 2.31 -3.60 3.54 -0.04 -1.26 -1.69 135.00 139.86 2rmj n PRO 846 Ca -0.06 -2.09 -0.29 0.00 -0.04 0.00 0.00 63.50 61.02 2rmj n PRO 846 Cb 0.49 -2.96 -0.13 0.00 -0.04 0.00 0.00 33.50 30.86 2rmj n PRO 846 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2rmj s HIS 847 N 3.81 1.38 0.87 0.54 5.04 -1.25 -5.00 115.29 120.68 2rmj s HIS 847 Ca 0.52 -1.99 -0.12 0.00 -1.54 0.00 0.00 55.06 51.93 2rmj s HIS 847 Cb 0.14 -1.44 0.11 0.00 0.04 0.00 0.00 32.58 31.44 2rmj s HIS 847 CO 0.00 -0.81 1.12 -1.25 -2.34 0.00 0.00 174.74 171.47 2rmj s PRO 848 N 0.79 1.47 0.32 2.88 0.04 -0.60 -3.65 135.00 136.25 2rmj s PRO 848 Ca 0.17 0.40 0.09 0.00 0.04 0.00 0.00 61.00 61.70 2rmj s PRO 848 Cb -0.23 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2rmj s PRO 848 CO -0.02 -2.00 0.06 -1.59 0.04 0.00 0.00 177.00 173.49 2rmj s LYS 849 N -5.24 2.26 0.68 4.56 -2.85 -1.23 -4.89 119.74 113.02 2rmj s LYS 849 Ca 0.63 -1.56 -0.12 0.00 -1.00 0.00 0.00 55.97 53.92 2rmj s LYS 849 Cb -0.15 -2.10 -0.00 0.00 -2.06 0.00 0.00 37.83 33.52 2rmj s LYS 849 CO 0.54 0.20 1.06 -1.25 0.10 0.00 0.00 175.35 175.99 2rmj s PRO 850 N -3.75 3.02 -0.39 1.78 0.04 -1.26 -4.89 135.00 129.54 2rmj s PRO 850 Ca 0.35 1.00 -0.44 0.00 0.04 0.00 0.00 61.00 61.95 2rmj s PRO 850 Cb -0.03 -2.00 -0.18 0.00 0.04 0.00 0.00 34.50 32.33 2rmj s PRO 850 CO 0.21 -1.04 1.68 0.36 0.04 0.00 0.00 177.00 178.25 2rmj n LYS 851 N -2.92 0.58 -4.04 4.56 2.85 -1.26 -4.92 118.16 113.00 2rmj n LYS 851 Ca 0.08 0.21 -0.08 0.00 -1.05 0.00 0.00 58.31 57.47 2rmj n LYS 851 Cb 0.53 -1.80 -0.10 0.00 -0.65 0.00 0.00 35.03 33.01 2rmj n LYS 851 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 2rmj s GLN 852 N 3.30 0.49 -0.43 -1.58 -0.44 -1.26 -5.12 119.66 114.62 2rmj s GLN 852 Ca 1.02 -0.97 -0.25 0.00 -2.50 0.00 0.00 55.36 52.66 2rmj s GLN 852 Cb -1.29 0.17 0.02 0.00 -1.64 0.00 0.00 33.01 30.28 2rmj s GLN 852 CO 0.74 -0.09 0.89 0.12 0.50 0.00 0.00 175.29 177.45 2rmj s PHE 853 N -2.91 2.98 0.23 1.67 5.36 -1.26 -4.97 117.98 119.08 2rmj s PHE 853 Ca -0.02 0.44 -0.22 0.00 -0.96 0.00 0.00 56.93 56.17 2rmj s PHE 853 Cb 0.01 -3.80 0.05 0.00 -0.34 0.00 0.00 43.02 38.94 2rmj s PHE 853 CO -0.06 -0.99 0.89 0.45 -1.46 0.00 0.00 175.22 174.05 2rmj s SER 854 N 2.13 -0.12 -0.00 6.13 0.15 -1.26 -5.09 113.70 115.63 2rmj s SER 854 Ca 0.36 -0.65 -0.02 0.00 0.70 0.00 0.00 55.95 56.33 2rmj s SER 854 Cb -0.11 0.62 -0.01 0.00 -1.71 0.00 0.00 66.02 64.80 2rmj s SER 854 CO 0.23 -1.18 0.47 -1.28 1.20 0.00 0.00 173.24 172.69 2rmj h SER 855 N 2.00 -0.07 -2.89 5.45 0.87 -2.08 -3.47 113.55 113.36 2rmj h SER 855 Ca -0.25 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 59.85 2rmj h SER 855 Cb 1.24 0.02 0.12 0.00 -0.44 0.00 0.00 62.40 63.33 2rmj h SER 855 CO 0.30 -0.01 0.24 -0.36 -0.53 0.00 0.00 176.83 176.47 2rmj s PHE 856 N -2.10 1.54 -0.22 2.24 0.40 -1.26 -5.09 117.98 113.49 2rmj s PHE 856 Ca -0.01 -0.05 -0.00 0.00 -0.60 0.00 0.00 56.93 56.26 2rmj s PHE 856 Cb 0.00 -3.46 0.06 0.00 0.51 0.00 0.00 43.02 40.13 2rmj s PHE 856 CO 0.04 -2.12 -0.02 -1.21 0.70 0.00 0.00 175.22 172.61 2rmj s GLU 857 N -5.46 1.28 -0.38 0.44 0.41 -1.26 -5.07 118.70 108.66 2rmj s GLU 857 Ca 0.70 -0.80 -0.17 0.00 -0.41 0.00 0.00 54.97 54.29 2rmj s GLU 857 Cb -0.04 -2.42 0.01 0.00 -1.78 0.00 0.00 34.13 29.89 2rmj s GLU 857 CO 0.48 -0.62 0.42 0.15 -0.49 0.00 0.00 175.26 175.20 2rmj s LYS 858 N 1.55 3.34 -0.07 1.61 1.02 -1.26 -4.36 119.74 121.58 2rmj s LYS 858 Ca -0.04 -0.55 0.17 0.00 0.02 0.00 0.00 55.97 55.57 2rmj s LYS 858 Cb -0.18 -3.88 0.56 0.00 -0.52 0.00 0.00 37.83 33.81 2rmj s LYS 858 CO -0.07 -0.70 1.48 0.54 -0.92 0.00 0.00 175.35 175.68 2rmj n ARG 859 N 5.54 3.21 -3.61 1.68 1.74 -1.14 -3.51 116.66 120.57 2rmj n ARG 859 Ca -0.08 -2.61 -0.07 0.00 -0.77 0.00 0.00 57.85 54.33 2rmj n ARG 859 Cb 0.48 -1.65 -0.05 0.00 -1.02 0.00 0.00 32.46 30.22 2rmj n ARG 859 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2rmj s ALA 860 N -1.59 -2.03 -0.13 7.54 0.00 -1.24 -1.56 121.76 122.75 2rmj s ALA 860 Ca 0.42 1.73 -0.04 0.00 0.00 0.00 0.00 51.96 54.06 2rmj s ALA 860 Cb 0.26 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.19 2rmj s ALA 860 CO 0.21 -0.26 0.01 0.15 0.00 0.00 0.00 175.76 175.88 2rmj s LYS 861 N -0.85 3.46 0.07 0.00 3.01 -0.68 -0.52 119.74 124.23 2rmj s LYS 861 Ca 0.03 -0.41 0.03 0.00 -1.01 0.00 0.00 55.97 54.61 2rmj s LYS 861 Cb -0.01 -2.95 -0.04 0.00 -1.01 0.00 0.00 37.83 33.81 2rmj s LYS 861 CO -0.04 0.46 0.07 0.96 0.51 0.00 0.00 175.35 177.32 2rmj s ILE 862 N -0.20 4.52 0.32 2.17 -5.25 -1.25 0.15 121.20 121.67 2rmj s ILE 862 Ca 0.06 -0.73 -0.00 0.00 -0.99 0.00 0.00 60.65 58.98 2rmj s ILE 862 Cb -0.12 -3.16 -0.01 0.00 2.95 0.00 0.00 42.46 42.11 2rmj s ILE 862 CO 0.02 0.16 0.40 -0.36 -1.79 0.00 0.00 174.94 173.36 2rmj s PHE 863 N -1.36 1.22 0.36 1.37 0.40 -0.89 -3.59 117.98 115.51 2rmj s PHE 863 Ca 0.28 -1.37 -0.26 0.00 -0.60 0.00 0.00 56.93 54.98 2rmj s PHE 863 Cb -0.12 -0.27 -0.09 0.00 0.51 0.00 0.00 43.02 43.05 2rmj s PHE 863 CO 0.21 -1.02 1.09 0.00 0.70 0.00 0.00 175.22 176.20 2rmj h ALA 865 N 2.91 0.62 -2.98 0.00 0.00 -1.38 -3.38 119.26 115.06 2rmj h ALA 865 Ca -0.48 -0.12 -0.30 0.00 0.00 0.00 0.00 54.91 54.01 2rmj h ALA 865 Cb 1.22 0.03 0.17 0.00 0.00 0.00 0.00 17.79 19.21 2rmj h ALA 865 CO 0.64 0.14 -0.13 0.54 0.00 0.00 0.00 179.25 180.43 2rmj n ARG 866 N -2.81 -4.29 -0.36 0.00 5.12 -1.26 -4.74 116.66 108.33 2rmj n ARG 866 Ca -0.00 -1.19 0.37 0.00 -1.93 0.00 0.00 57.85 55.10 2rmj n ARG 866 Cb 0.59 -1.53 0.70 0.00 -1.16 0.00 0.00 32.46 31.06 2rmj n ARG 866 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 2rmj h GLN 867 N 0.00 0.00 -6.09 5.56 7.50 -1.99 -3.34 115.11 116.74 2rmj h GLN 867 Ca -0.32 0.00 -0.59 0.00 0.50 0.00 0.00 58.65 58.24 2rmj h GLN 867 Cb 1.07 0.00 -0.08 0.00 0.05 0.00 0.00 27.48 28.52 2rmj h GLN 867 CO 0.19 0.00 0.67 -0.80 -1.50 0.00 0.00 178.83 177.39 2rmj s ASN 868 N -4.38 6.82 -0.12 1.46 0.01 -1.26 -4.85 114.94 112.62 2rmj s ASN 868 Ca -0.04 0.89 -0.04 0.00 -0.71 0.00 0.00 52.86 52.96 2rmj s ASN 868 Cb 0.21 -2.49 -0.06 0.00 0.41 0.00 0.00 41.25 39.32 2rmj s ASN 868 CO 0.72 -0.78 -0.14 0.00 -1.51 0.00 0.00 177.10 175.40 2rmj n SER 870 N -3.32 0.43 -4.59 0.00 2.88 -1.26 -4.45 113.62 103.31 2rmj n SER 870 Ca -0.23 0.66 -0.43 0.00 -1.33 0.00 0.00 58.87 57.55 2rmj n SER 870 Cb 0.68 -0.73 -0.04 0.00 -0.75 0.00 0.00 64.21 63.37 2rmj n SER 870 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2rmj s HIS 871 N -3.34 3.06 -0.12 0.66 4.02 -1.26 -5.02 115.29 113.29 2rmj s HIS 871 Ca 0.01 0.66 -0.12 0.00 1.02 0.00 0.00 55.06 56.62 2rmj s HIS 871 Cb 0.06 -3.66 -0.05 0.00 -1.02 0.00 0.00 32.58 27.91 2rmj s HIS 871 CO 0.22 -0.86 0.27 0.16 1.02 0.00 0.00 174.74 175.56 2rmj s ASP 872 N 1.94 6.50 -0.12 1.40 -4.77 -1.26 -1.67 116.67 118.68 2rmj s ASP 872 Ca 0.37 0.58 -0.11 0.00 -3.30 0.00 0.00 52.55 50.09 2rmj s ASP 872 Cb -0.12 -2.17 -0.26 0.00 -1.09 0.00 0.00 42.92 39.28 2rmj s ASP 872 CO 0.20 0.22 0.43 -0.50 0.70 0.00 0.00 175.17 176.22 2rmj h TRP 873 N 5.86 0.44 0.00 2.11 4.06 -1.86 -3.47 115.95 123.08 2rmj h TRP 873 Ca -0.47 -0.32 0.00 0.00 2.06 0.00 0.00 58.89 60.16 2rmj h TRP 873 Cb 1.19 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 2rmj h TRP 873 CO 0.66 1.68 0.00 0.41 -3.56 0.00 0.00 178.44 177.63 2rmj n GLY 874 N 1.84 3.34 3.22 1.49 0.00 -1.25 -4.74 105.19 109.08 2rmj n GLY 874 Ca -0.29 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 2rmj n GLY 874 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2rmj s ILE 875 N 0.34 0.00 -0.26 -0.61 -5.25 -1.21 -3.81 121.20 110.40 2rmj s ILE 875 Ca 0.00 -2.00 -0.06 0.00 -0.99 0.00 0.00 60.65 57.61 2rmj s ILE 875 Cb 0.00 -2.50 -0.00 0.00 2.95 0.00 0.00 42.46 42.91 2rmj s ILE 875 CO 0.00 0.00 0.03 -2.28 -1.79 0.00 0.00 174.94 170.90 2rmj s HIS 876 N -4.01 3.07 0.26 1.37 2.46 0.32 -1.99 115.29 116.78 2rmj s HIS 876 Ca 0.39 -0.88 -0.01 0.00 0.47 0.00 0.00 55.06 55.03 2rmj s HIS 876 Cb 0.06 -2.19 -0.03 0.00 -0.13 0.00 0.00 32.58 30.29 2rmj s HIS 876 CO 0.15 -0.53 0.27 0.14 -2.47 0.00 0.00 174.74 172.30 2rmj s VAL 877 N 1.51 0.00 -0.05 0.89 -7.23 -1.25 -2.88 120.40 111.39 2rmj s VAL 877 Ca 0.04 -1.86 0.06 0.00 -1.81 0.00 0.00 61.98 58.42 2rmj s VAL 877 Cb -0.16 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.29 2rmj s VAL 877 CO 0.01 0.00 -0.25 -0.75 -0.31 0.00 0.00 175.10 173.80 2rmj s LYS 878 N -3.81 2.51 -0.06 4.82 2.20 -1.26 -3.14 119.74 121.00 2rmj s LYS 878 Ca 0.36 -0.90 -0.15 0.00 -0.36 0.00 0.00 55.97 54.91 2rmj s LYS 878 Cb 0.04 -2.16 0.03 0.00 -1.51 0.00 0.00 37.83 34.23 2rmj s LYS 878 CO 0.17 0.41 0.36 -0.47 -0.36 0.00 0.00 175.35 175.46 2rmj s TYR 879 N -0.23 -0.30 -1.38 4.03 6.14 0.55 -4.89 117.35 121.27 2rmj s TYR 879 Ca -0.02 0.60 -0.04 0.00 0.64 0.00 0.00 57.07 58.25 2rmj s TYR 879 Cb -0.13 0.14 0.03 0.00 0.42 0.00 0.00 41.96 42.41 2rmj s TYR 879 CO 0.03 -0.34 0.79 1.63 0.64 0.00 0.00 175.55 178.30 2rmj n LYS 880 N 1.83 -5.11 -1.60 4.97 4.76 -1.26 0.33 118.16 122.09 2rmj n LYS 880 Ca -0.18 0.61 -0.11 0.00 -2.87 0.00 0.00 58.31 55.75 2rmj n LYS 880 Cb 0.57 -5.27 -0.04 0.00 -1.84 0.00 0.00 35.03 28.45 2rmj n LYS 880 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2rmj n THR 881 N -4.42 -0.13 -4.79 -0.18 5.66 -1.26 -4.90 114.28 104.25 2rmj n THR 881 Ca -0.19 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.53 2rmj n THR 881 Cb 0.63 -1.22 -0.14 0.00 -1.55 0.00 0.00 70.33 68.05 2rmj n THR 881 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 2rmj s PHE 882 N -2.11 2.09 -0.38 1.09 0.08 0.15 -5.11 117.98 113.79 2rmj s PHE 882 Ca 0.00 -0.39 -0.10 0.00 0.12 0.00 0.00 56.93 56.56 2rmj s PHE 882 Cb 0.00 -1.25 0.04 0.00 -0.57 0.00 0.00 43.02 41.24 2rmj s PHE 882 CO 0.00 0.11 0.20 -2.00 -0.10 0.00 0.00 175.22 173.42 2rmj s GLU 883 N -1.20 2.73 -0.00 0.44 2.56 -1.26 -0.33 118.70 121.62 2rmj s GLU 883 Ca 0.10 -1.19 -0.28 0.00 0.00 0.00 0.00 54.97 53.60 2rmj s GLU 883 Cb -0.09 -3.68 0.07 0.00 2.00 0.00 0.00 34.13 32.42 2rmj s GLU 883 CO 0.02 -0.75 0.63 0.96 -0.56 0.00 0.00 175.26 175.56 2rmj s ILE 884 N 1.49 0.01 0.44 -3.70 -5.25 -1.19 -5.05 121.20 107.95 2rmj s ILE 884 Ca 0.01 -0.05 -0.22 0.00 -0.99 0.00 0.00 60.65 59.40 2rmj s ILE 884 Cb -0.20 -0.98 -0.09 0.00 2.95 0.00 0.00 42.46 44.14 2rmj s ILE 884 CO 0.05 -0.03 1.05 -2.16 -1.79 0.00 0.00 174.94 172.06 2rmj s PRO 885 N -1.77 4.01 -0.08 0.37 0.04 -1.26 -3.82 135.00 132.48 2rmj s PRO 885 Ca -0.08 1.46 -0.05 0.00 0.04 0.00 0.00 61.00 62.36 2rmj s PRO 885 Cb -0.00 -2.35 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 2rmj s PRO 885 CO 0.05 -0.27 0.14 0.08 0.04 0.00 0.00 177.00 177.04 2rmj s VAL 886 N -1.79 5.39 0.37 -0.36 1.01 -0.84 -4.57 120.40 119.61 2rmj s VAL 886 Ca 0.62 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.71 2rmj s VAL 886 Cb -0.20 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 2rmj s VAL 886 CO 0.24 0.53 0.19 -0.38 0.00 0.00 0.00 175.10 175.68 2rmj n ILE 887 N 1.66 0.00 -4.17 2.22 2.08 -0.70 -3.31 119.36 117.14 2rmj n ILE 887 Ca -0.17 -2.31 -0.08 0.00 0.56 0.00 0.00 62.75 60.75 2rmj n ILE 887 Cb 0.54 0.94 -0.02 0.00 -0.75 0.00 0.00 39.64 40.36 2rmj n ILE 887 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 2rmj n LYS 888 N -0.79 1.15 0.06 0.38 2.85 -1.26 -2.14 118.16 118.41 2rmj n LYS 888 Ca -0.01 -1.03 -0.18 0.00 -1.05 0.00 0.00 58.31 56.04 2rmj n LYS 888 Cb 0.59 0.44 -0.14 0.00 -0.65 0.00 0.00 35.03 35.27 2rmj n LYS 888 CO 0.00 0.00 0.00 0.97 -0.05 0.00 0.00 177.40 178.32 2rmj h ILE 889 N 1.15 1.07 -0.53 0.58 2.10 -1.92 -3.31 117.51 116.66 2rmj h ILE 889 Ca -0.10 -2.72 -0.31 0.00 1.08 0.00 0.00 64.86 62.81 2rmj h ILE 889 Cb 0.36 2.73 -0.16 0.00 -1.09 0.00 0.00 36.82 38.66 2rmj h ILE 889 CO 0.17 0.81 0.40 -1.84 -1.08 0.00 0.00 178.15 176.61 2rmj n GLU 890 N -3.46 1.77 -0.09 2.19 0.28 -1.26 -3.83 120.64 116.24 2rmj n GLU 890 Ca -0.19 -1.66 -0.10 0.00 -0.16 0.00 0.00 57.16 55.06 2rmj n GLU 890 Cb 1.05 -1.65 -0.12 0.00 1.43 0.00 0.00 31.44 32.15 2rmj n GLU 890 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2rmj n SER 891 N -0.09 1.43 -3.98 -1.84 2.88 -1.25 -5.04 113.62 105.73 2rmj n SER 891 Ca 0.32 -0.03 -0.10 0.00 -1.33 0.00 0.00 58.87 57.74 2rmj n SER 891 Cb 0.87 0.53 -0.07 0.00 -0.75 0.00 0.00 64.21 64.78 2rmj n SER 891 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2rmj s PHE 892 N -2.40 0.45 0.43 0.66 -0.12 -1.25 -4.59 117.98 111.16 2rmj s PHE 892 Ca -0.14 -0.82 0.02 0.00 -0.05 0.00 0.00 56.93 55.94 2rmj s PHE 892 Cb 0.06 -0.12 -0.00 0.00 -0.63 0.00 0.00 43.02 42.33 2rmj s PHE 892 CO 0.61 -0.68 0.63 0.14 -0.05 0.00 0.00 175.22 175.86 2rmj s VAL 893 N -3.97 3.89 -0.27 -2.49 -7.23 0.12 -4.65 120.40 105.80 2rmj s VAL 893 Ca 0.18 -0.65 0.03 0.00 -1.81 0.00 0.00 61.98 59.73 2rmj s VAL 893 Cb 0.04 -3.41 0.07 0.00 0.56 0.00 0.00 36.38 33.63 2rmj s VAL 893 CO -0.00 -0.25 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.77 2rmj s VAL 894 N -2.47 2.06 -0.23 1.32 1.01 0.16 -1.42 120.40 120.83 2rmj s VAL 894 Ca 0.48 -1.68 -0.04 0.00 0.00 0.00 0.00 61.98 60.74 2rmj s VAL 894 Cb -0.10 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.02 2rmj s VAL 894 CO 0.36 -0.14 -0.02 -0.70 0.00 0.00 0.00 175.10 174.59 2rmj s GLU 895 N 1.12 3.38 0.30 2.72 2.12 0.45 -2.26 118.70 126.53 2rmj s GLU 895 Ca -0.05 -0.63 -0.29 0.00 0.36 0.00 0.00 54.97 54.36 2rmj s GLU 895 Cb -0.20 -3.07 -0.09 0.00 0.26 0.00 0.00 34.13 31.03 2rmj s GLU 895 CO -0.06 -0.22 1.10 -0.51 -0.54 0.00 0.00 175.26 175.03 2rmj s ASP 896 N 1.49 7.19 0.00 -1.70 -0.00 -1.08 0.57 116.67 123.14 2rmj s ASP 896 Ca 0.06 2.25 0.27 0.00 -0.00 0.00 0.00 52.55 55.13 2rmj s ASP 896 Cb -0.15 -2.62 0.92 0.00 -0.00 0.00 0.00 42.92 41.07 2rmj s ASP 896 CO -0.02 -0.20 1.67 -0.38 -0.00 0.00 0.00 175.17 176.24 2rmj n ILE 897 N 1.02 0.00 0.04 0.77 -0.00 -1.26 0.19 119.36 120.12 2rmj n ILE 897 Ca -0.00 -0.10 0.11 0.00 -0.00 0.00 0.00 62.75 62.76 2rmj n ILE 897 Cb 0.45 0.20 -0.10 0.00 -0.00 0.00 0.00 39.64 40.20 2rmj n ILE 897 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2rmj n ALA 898 N -0.80 2.65 0.00 -1.39 0.00 -1.26 -4.64 120.51 115.06 2rmj n ALA 898 Ca 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2rmj n ALA 898 Cb 0.32 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.88 2rmj n ALA 898 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2rmj n THR 899 N -2.45 0.00 -0.35 0.00 -2.24 -1.21 -4.77 114.28 103.25 2rmj n THR 899 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 2rmj n THR 899 Cb 0.58 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 2rmj n THR 899 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2rmj n GLY 900 N 2.70 0.80 3.60 3.38 0.00 0.52 -4.99 105.19 111.19 2rmj n GLY 900 Ca 0.00 -0.24 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 2rmj n GLY 900 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2rmj s VAL 901 N -2.00 4.90 0.03 1.61 1.01 -1.25 -4.74 120.40 119.96 2rmj s VAL 901 Ca 0.00 0.87 -0.00 0.00 0.00 0.00 0.00 61.98 62.84 2rmj s VAL 901 Cb 0.00 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2rmj s VAL 901 CO 0.00 -0.19 0.16 0.00 0.00 0.00 0.00 175.10 175.07 2rmj s GLN 902 N 2.69 3.30 0.12 2.72 -2.07 -1.26 -2.63 119.66 122.54 2rmj s GLN 902 Ca 0.26 -0.45 -0.16 0.00 -1.82 0.00 0.00 55.36 53.19 2rmj s GLN 902 Cb -0.15 -2.98 0.04 0.00 -1.09 0.00 0.00 33.01 28.83 2rmj s GLN 902 CO 0.12 0.63 0.41 0.99 -1.32 0.00 0.00 175.29 176.12 2rmj s THR 903 N -1.39 0.07 -0.18 3.63 2.01 -0.96 -4.90 115.64 113.92 2rmj s THR 903 Ca 0.30 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 2rmj s THR 903 Cb -0.13 -1.16 0.05 0.00 0.01 0.00 0.00 72.50 71.28 2rmj s THR 903 CO 0.22 -0.31 -0.00 -1.48 -0.69 0.00 0.00 174.62 172.36 2rmj s LEU 904 N -2.78 1.45 1.16 4.42 0.05 -1.26 0.39 118.68 122.10 2rmj s LEU 904 Ca 0.03 -0.78 -0.18 0.00 0.05 0.00 0.00 54.13 53.25 2rmj s LEU 904 Cb 0.02 -0.74 0.27 0.00 -2.05 0.00 0.00 46.19 43.68 2rmj s LEU 904 CO -0.12 -0.26 1.10 -0.31 -0.55 0.00 0.00 176.35 176.21 2rmj s TYR 905 N 1.74 0.86 -0.04 3.48 2.02 -1.26 -5.04 117.35 119.11 2rmj s TYR 905 Ca -0.01 0.63 -0.08 0.00 -0.37 0.00 0.00 57.07 57.24 2rmj s TYR 905 Cb -0.17 -3.37 -0.03 0.00 -0.40 0.00 0.00 41.96 37.99 2rmj s TYR 905 CO -0.07 -3.70 -0.16 -1.13 -1.57 0.00 0.00 175.55 168.91 2rmj n SER 906 N -4.67 1.42 -4.75 2.29 3.41 -1.26 -4.31 113.62 105.75 2rmj n SER 906 Ca 0.11 0.22 -0.24 0.00 -0.26 0.00 0.00 58.87 58.69 2rmj n SER 906 Cb 0.59 -0.50 -0.07 0.00 -0.26 0.00 0.00 64.21 63.97 2rmj n SER 906 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2rmj s LYS 907 N -2.39 2.26 0.01 4.33 2.47 -1.26 -4.40 119.74 120.76 2rmj s LYS 907 Ca -0.14 -1.78 0.12 0.00 -1.56 0.00 0.00 55.97 52.61 2rmj s LYS 907 Cb 0.03 -2.03 0.53 0.00 -1.46 0.00 0.00 37.83 34.89 2rmj s LYS 907 CO 0.20 -0.09 1.39 0.91 0.16 0.00 0.00 175.35 177.93 2rmj n TRP 908 N -1.24 0.04 0.05 4.03 8.01 -1.26 -1.56 117.44 125.51 2rmj n TRP 908 Ca -0.01 0.02 -0.16 0.00 -1.31 0.00 0.00 57.50 56.03 2rmj n TRP 908 Cb 0.64 -0.53 -0.07 0.00 -2.01 0.00 0.00 31.31 29.34 2rmj n TRP 908 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 2rmj h LYS 909 N 0.00 0.55 0.00 -0.99 1.79 -2.03 -2.79 116.57 113.10 2rmj h LYS 909 Ca 0.00 -0.58 0.00 0.00 -2.18 0.00 0.00 60.65 57.89 2rmj h LYS 909 Cb 0.21 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.02 2rmj h LYS 909 CO 0.00 1.20 0.00 -0.25 -1.08 0.00 0.00 179.45 179.32 2rmj n ASP 910 N -3.80 0.00 -4.72 0.86 9.92 -0.60 -4.83 116.55 113.38 2rmj n ASP 910 Ca -0.08 -0.42 -0.33 0.00 -0.53 0.00 0.00 54.79 53.42 2rmj n ASP 910 Cb 0.85 -0.14 0.10 0.00 -0.64 0.00 0.00 41.12 41.29 2rmj n ASP 910 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2rmj s PHE 911 N -2.28 2.09 -0.01 1.24 -0.71 -1.06 -4.93 117.98 112.32 2rmj s PHE 911 Ca 0.30 1.62 0.02 0.00 -1.04 0.00 0.00 56.93 57.83 2rmj s PHE 911 Cb 0.17 -3.39 0.03 0.00 -1.21 0.00 0.00 43.02 38.62 2rmj s PHE 911 CO 0.32 -2.48 0.79 0.72 -1.34 0.00 0.00 175.22 173.24 2rmj n HIS 912 N -2.97 0.00 -1.28 3.49 8.25 -1.26 -5.08 115.22 116.38 2rmj n HIS 912 Ca 0.13 -0.23 -0.06 0.00 -0.26 0.00 0.00 57.72 57.30 2rmj n HIS 912 Cb 0.51 -0.04 0.04 0.00 1.12 0.00 0.00 29.99 31.62 2rmj n HIS 912 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2rmj n PHE 913 N -0.27 -3.95 -4.08 4.41 3.72 -1.26 -5.11 117.46 110.91 2rmj n PHE 913 Ca 0.02 -0.26 -0.08 0.00 -0.05 0.00 0.00 57.45 57.08 2rmj n PHE 913 Cb 0.49 -0.21 -0.10 0.00 -0.94 0.00 0.00 39.48 38.72 2rmj n PHE 913 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 176.76 174.88 2rmj s GLU 914 N -3.57 0.58 -0.04 -1.08 -1.05 -1.26 -5.12 118.70 107.15 2rmj s GLU 914 Ca 0.16 -1.10 -0.30 0.00 -0.15 0.00 0.00 54.97 53.58 2rmj s GLU 914 Cb -0.00 0.12 -0.04 0.00 -0.44 0.00 0.00 34.13 33.77 2rmj s GLU 914 CO 0.11 -0.08 1.21 -1.59 0.95 0.00 0.00 175.26 175.86 2rmj s LYS 915 N -3.35 4.35 -0.00 -4.83 -2.85 -1.26 -4.57 119.74 107.23 2rmj s LYS 915 Ca 0.02 1.70 0.02 0.00 -1.00 0.00 0.00 55.97 56.72 2rmj s LYS 915 Cb 0.04 -3.55 -0.01 0.00 -2.06 0.00 0.00 37.83 32.25 2rmj s LYS 915 CO -0.07 -0.44 -0.08 0.42 0.10 0.00 0.00 175.35 175.28 2rmj s ILE 916 N 2.16 0.62 -0.06 3.79 1.01 -1.25 -5.02 121.20 122.44 2rmj s ILE 916 Ca 0.57 -0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.54 2rmj s ILE 916 Cb -0.25 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 2rmj s ILE 916 CO 0.23 0.15 1.22 -2.16 0.00 0.00 0.00 174.94 174.38 2rmj s PRO 917 N -0.26 4.33 -0.86 2.79 0.04 -1.26 -4.18 135.00 135.61 2rmj s PRO 917 Ca 0.02 1.70 -0.25 0.00 0.04 0.00 0.00 61.00 62.51 2rmj s PRO 917 Cb -0.03 -3.58 0.04 0.00 0.04 0.00 0.00 34.50 30.96 2rmj s PRO 917 CO -0.00 -0.48 1.39 0.12 0.04 0.00 0.00 177.00 178.06 2rmj s PHE 918 N 2.35 2.36 0.19 0.56 2.19 -1.26 -4.98 117.98 119.39 2rmj s PHE 918 Ca 0.56 -0.35 -0.30 0.00 0.33 0.00 0.00 56.93 57.18 2rmj s PHE 918 Cb -0.25 -4.63 -0.08 0.00 -1.31 0.00 0.00 43.02 36.75 2rmj s PHE 918 CO 0.22 -2.02 1.09 -0.51 1.83 0.00 0.00 175.22 175.82 2rmj s ASP 919 N 4.50 7.30 0.08 6.13 1.01 -1.26 -4.92 116.67 129.51 2rmj s ASP 919 Ca 0.42 2.10 0.23 0.00 0.71 0.00 0.00 52.55 56.00 2rmj s ASP 919 Cb -0.05 -2.61 0.92 0.00 1.01 0.00 0.00 42.92 42.20 2rmj s ASP 919 CO 0.04 -0.18 1.71 -0.81 0.21 0.00 0.00 175.17 176.14 2rmj n PRO 920 N 2.15 0.08 0.15 8.23 -0.04 -1.26 -2.49 135.00 141.82 2rmj n PRO 920 Ca 0.02 0.19 0.02 0.00 -0.04 0.00 0.00 63.50 63.69 2rmj n PRO 920 Cb 0.46 -1.61 0.19 0.00 -0.04 0.00 0.00 33.50 32.50 2rmj n PRO 920 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rmj h ALA 921 N 2.63 0.86 0.00 0.55 0.00 -1.91 -3.22 119.26 118.17 2rmj h ALA 921 Ca 0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2rmj h ALA 921 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2rmj h ALA 921 CO 0.00 0.65 -0.00 0.93 0.00 0.00 0.00 179.25 180.83 2rmj h GLU 922 N 0.00 -0.00 -0.92 0.00 5.08 -1.89 -3.35 114.58 113.50 2rmj h GLU 922 Ca -0.01 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 2rmj h GLU 922 Cb 1.13 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.22 2rmj h GLU 922 CO 0.07 0.75 -0.32 -0.12 -1.00 0.00 0.00 179.01 178.39 2rmj n MET 923 N -4.65 -0.17 -3.53 2.33 1.56 -1.20 -4.67 117.12 106.78 2rmj n MET 923 Ca -0.08 1.42 -0.11 0.00 -0.27 0.00 0.00 57.70 58.66 2rmj n MET 923 Cb 0.36 -2.11 -0.02 0.00 2.15 0.00 0.00 33.22 33.60 2rmj n MET 923 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 2rmj s SER 924 N -5.30 -0.48 0.00 6.12 0.01 -1.22 -4.74 113.70 108.09 2rmj s SER 924 Ca -0.13 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2rmj s SER 924 Cb 0.21 0.62 0.00 0.00 0.21 0.00 0.00 66.02 67.06 2rmj s SER 924 CO 0.67 -1.04 0.18 1.17 0.41 0.00 0.00 173.24 174.63