#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rmj n SER 793 N 0.00 1.68 -1.32 -1.12 7.64 -1.26 -5.01 113.62 114.23 2rmj n SER 793 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 2rmj n SER 793 Cb 0.00 1.35 0.02 0.00 -1.01 0.00 0.00 64.21 64.57 2rmj n SER 793 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rmj n GLN 794 N -2.19 -2.00 -3.49 1.43 6.02 -1.26 -5.02 117.38 110.87 2rmj n GLN 794 Ca -0.10 0.33 -0.35 0.00 -0.01 0.00 0.00 57.00 56.87 2rmj n GLN 794 Cb 0.59 -3.94 -0.06 0.00 1.02 0.00 0.00 30.24 27.85 2rmj n GLN 794 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2rmj s GLU 795 N -5.05 3.85 0.17 -1.09 2.12 -1.26 -5.10 118.70 112.34 2rmj s GLU 795 Ca 0.13 0.30 0.06 0.00 0.36 0.00 0.00 54.97 55.82 2rmj s GLU 795 Cb -0.06 -2.99 -0.05 0.00 0.26 0.00 0.00 34.13 31.30 2rmj s GLU 795 CO 0.16 0.54 -0.12 0.15 -0.54 0.00 0.00 175.26 175.45 2rmj s LYS 796 N -1.88 1.17 0.93 4.30 -0.14 -1.26 -5.15 119.74 117.70 2rmj s LYS 796 Ca 0.34 -1.51 -0.13 0.00 -1.36 0.00 0.00 55.97 53.32 2rmj s LYS 796 Cb -0.14 -0.82 0.15 0.00 -1.68 0.00 0.00 37.83 35.33 2rmj s LYS 796 CO 0.18 0.12 1.15 -1.25 -0.76 0.00 0.00 175.35 174.79 2rmj s PRO 797 N -3.70 0.98 0.25 -1.68 0.04 -1.26 -5.09 135.00 124.53 2rmj s PRO 797 Ca 0.19 0.22 0.07 0.00 0.04 0.00 0.00 61.00 61.52 2rmj s PRO 797 Cb 0.01 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.67 2rmj s PRO 797 CO 0.03 -2.29 -0.08 -1.59 0.04 0.00 0.00 177.00 173.11 2rmj s LYS 798 N -5.33 1.46 0.90 4.56 0.00 -1.26 -5.16 119.74 114.92 2rmj s LYS 798 Ca 0.65 -1.71 -0.15 0.00 0.00 0.00 0.00 55.97 54.75 2rmj s LYS 798 Cb -0.14 -1.09 0.22 0.00 0.00 0.00 0.00 37.83 36.82 2rmj s LYS 798 CO 0.53 0.07 1.00 -0.35 0.00 0.00 0.00 175.35 176.60 2rmj n PRO 799 N -0.50 -1.89 -3.63 1.78 -0.04 -1.26 -5.04 135.00 124.41 2rmj n PRO 799 Ca -0.06 -1.56 -0.37 0.00 -0.04 0.00 0.00 63.50 61.46 2rmj n PRO 799 Cb 0.62 -1.23 -0.06 0.00 -0.04 0.00 0.00 33.50 32.79 2rmj n PRO 799 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2rmj s VAL 800 N -3.01 5.26 0.00 0.52 1.01 -1.26 -5.01 120.40 117.91 2rmj s VAL 800 Ca 0.60 0.55 0.00 0.00 0.00 0.00 0.00 61.98 63.13 2rmj s VAL 800 Cb -0.04 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.75 2rmj s VAL 800 CO 0.44 0.53 0.05 -0.81 0.00 0.00 0.00 175.10 175.32 2rmj n PRO 801 N 2.40 0.00 -1.68 2.72 -0.04 -1.26 -4.97 135.00 132.17 2rmj n PRO 801 Ca -0.15 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.10 2rmj n PRO 801 Cb 0.53 -0.34 0.14 0.00 -0.04 0.00 0.00 33.50 33.79 2rmj n PRO 801 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2rmj n ASP 802 N -0.21 0.39 -4.30 3.54 9.92 -1.26 -5.10 116.55 119.54 2rmj n ASP 802 Ca 0.00 -1.54 -0.29 0.00 -0.53 0.00 0.00 54.79 52.43 2rmj n ASP 802 Cb 0.00 -0.70 -0.15 0.00 -0.64 0.00 0.00 41.12 39.63 2rmj n ASP 802 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2rmj s LYS 803 N -5.02 1.83 -1.57 -1.24 -2.85 -1.26 -4.65 119.74 104.98 2rmj s LYS 803 Ca 0.56 -0.95 -0.03 0.00 -1.00 0.00 0.00 55.97 54.55 2rmj s LYS 803 Cb -0.02 -1.86 0.01 0.00 -2.06 0.00 0.00 37.83 33.89 2rmj s LYS 803 CO 0.39 0.50 0.38 0.39 0.10 0.00 0.00 175.35 177.11 2rmj n GLU 804 N 2.17 -3.68 -4.42 1.78 -0.58 -1.26 -4.97 120.64 109.68 2rmj n GLU 804 Ca -0.16 0.88 -0.23 0.00 -0.42 0.00 0.00 57.16 57.24 2rmj n GLU 804 Cb 0.52 -5.66 -0.13 0.00 -0.57 0.00 0.00 31.44 25.59 2rmj n GLU 804 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 2rmj s ASN 805 N -2.47 2.11 0.11 1.62 3.04 -1.26 -4.86 114.94 113.23 2rmj s ASN 805 Ca 0.20 -0.54 0.07 0.00 0.04 0.00 0.00 52.86 52.64 2rmj s ASN 805 Cb -0.09 -0.14 -0.04 0.00 -1.54 0.00 0.00 41.25 39.44 2rmj s ASN 805 CO 0.25 0.07 -0.18 -0.75 -3.04 0.00 0.00 177.10 173.45 2rmj s LYS 806 N -1.36 1.10 0.29 0.43 2.20 -1.26 -4.41 119.74 116.73 2rmj s LYS 806 Ca 0.04 -1.20 0.02 0.00 -0.36 0.00 0.00 55.97 54.47 2rmj s LYS 806 Cb -0.09 -1.23 -0.03 0.00 -1.51 0.00 0.00 37.83 34.97 2rmj s LYS 806 CO 0.02 0.27 0.47 0.21 -0.36 0.00 0.00 175.35 175.96 2rmj s LYS 807 N -2.19 3.48 0.05 4.03 2.20 0.29 -0.27 119.74 127.32 2rmj s LYS 807 Ca 0.08 -0.47 0.05 0.00 -0.36 0.00 0.00 55.97 55.27 2rmj s LYS 807 Cb -0.08 -2.76 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 2rmj s LYS 807 CO 0.04 0.27 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.65 2rmj s LEU 808 N -4.07 2.20 0.24 5.43 1.02 0.90 0.18 118.68 124.59 2rmj s LEU 808 Ca 0.38 -0.52 0.06 0.00 0.02 0.00 0.00 54.13 54.07 2rmj s LEU 808 Cb -0.10 -0.64 -0.05 0.00 0.02 0.00 0.00 46.19 45.43 2rmj s LEU 808 CO 0.33 0.02 -0.07 -0.76 0.02 0.00 0.00 176.35 175.88 2rmj s LEU 809 N -1.34 2.45 -0.36 1.79 1.02 -0.15 0.15 118.68 122.24 2rmj s LEU 809 Ca 0.02 -1.14 -0.12 0.00 0.02 0.00 0.00 54.13 52.91 2rmj s LEU 809 Cb -0.09 -0.56 0.01 0.00 0.02 0.00 0.00 46.19 45.58 2rmj s LEU 809 CO 0.02 -0.33 0.22 0.00 0.02 0.00 0.00 176.35 176.28 2rmj h ARG 811 N 8.46 0.00 0.00 0.00 2.43 -1.88 1.22 114.38 124.61 2rmj h ARG 811 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2rmj h ARG 811 Cb 1.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2rmj h ARG 811 CO 0.66 0.00 0.00 1.63 -1.51 0.00 0.00 179.97 180.75 2rmj n LYS 812 N -3.54 0.00 -0.21 0.20 4.76 -1.26 -3.48 118.16 114.62 2rmj n LYS 812 Ca 0.23 0.74 0.08 0.00 -2.87 0.00 0.00 58.31 56.49 2rmj n LYS 812 Cb 1.38 -1.26 0.12 0.00 -1.84 0.00 0.00 35.03 33.43 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 -1.14 -1.40 -4.28 0.00 4.76 0.41 -4.98 118.16 111.54 2rmj n LYS 814 Ca 0.13 0.88 -0.18 0.00 -2.87 0.00 0.00 58.31 56.27 2rmj n LYS 814 Cb 0.66 -4.35 -0.13 0.00 -1.84 0.00 0.00 35.03 29.37 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 -3.20 1.00 0.15 7.82 0.00 -1.15 -4.79 121.76 121.59 2rmj s ALA 815 Ca 0.22 -0.76 -0.31 0.00 0.00 0.00 0.00 51.96 51.11 2rmj s ALA 815 Cb -0.07 -0.14 -0.18 0.00 0.00 0.00 0.00 23.12 22.74 2rmj s ALA 815 CO 0.82 0.17 0.65 -0.11 0.00 0.00 0.00 175.76 177.30 2rmj n LEU 816 N 1.91 -0.95 0.00 0.00 -0.00 -1.26 0.79 117.00 117.49 2rmj n LEU 816 Ca -0.18 1.14 0.00 0.00 -0.00 0.00 0.00 56.01 56.96 2rmj n LEU 816 Cb 0.55 -0.94 0.00 0.00 -0.00 0.00 0.00 43.42 43.03 2rmj n LEU 816 CO 0.23 -2.73 -0.42 0.00 -0.00 0.00 0.00 177.39 174.46 2rmj n ALA 817 N 0.36 2.43 -3.39 1.96 0.00 0.12 -4.60 120.51 117.39 2rmj n ALA 817 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.69 2rmj n ALA 817 Cb 0.21 0.42 0.01 0.00 0.00 0.00 0.00 19.45 20.09 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 -3.06 2.00 -0.83 0.00 1.51 -1.26 -0.07 117.35 115.64 2rmj s TYR 819 Ca 0.11 -0.44 0.27 0.00 -1.01 0.00 0.00 57.07 56.01 2rmj s TYR 819 Cb -0.01 -0.94 0.97 0.00 -0.11 0.00 0.00 41.96 41.88 2rmj s TYR 819 CO 0.00 0.48 1.83 -2.37 -1.11 0.00 0.00 175.55 174.38 2rmj n THR 820 N -0.14 0.39 1.02 -0.71 5.66 0.62 -2.63 114.28 118.49 2rmj n THR 820 Ca -0.09 -0.16 0.12 0.00 -3.05 0.00 0.00 64.05 60.87 2rmj n THR 820 Cb 0.59 -0.58 0.58 0.00 -1.55 0.00 0.00 70.33 69.37 2rmj n THR 820 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2rmj n ALA 821 N -1.68 2.20 -0.17 1.79 0.00 -1.26 -2.55 120.51 118.83 2rmj n ALA 821 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2rmj n ALA 821 Cb 0.39 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.40 0.74 -4.64 0.00 9.92 -1.10 -5.00 116.55 115.08 2rmj n ASP 822 Ca 0.09 -0.95 -0.40 0.00 -0.53 0.00 0.00 54.79 53.00 2rmj n ASP 822 Cb 0.25 0.07 -0.07 0.00 -0.64 0.00 0.00 41.12 40.72 2rmj n ASP 822 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2rmj s VAL 823 N -0.07 5.09 -0.08 2.53 0.11 -1.06 -0.64 120.40 126.29 2rmj s VAL 823 Ca 0.00 0.92 -0.03 0.00 -2.93 0.00 0.00 61.98 59.94 2rmj s VAL 823 Cb 0.00 -3.83 0.04 0.00 -1.53 0.00 0.00 36.38 31.06 2rmj s VAL 823 CO 0.00 0.13 0.08 -0.13 -3.33 0.00 0.00 175.10 171.85 2rmj s ARG 824 N 1.97 -0.03 0.29 1.54 0.52 0.10 -4.91 118.95 118.44 2rmj s ARG 824 Ca 0.23 0.29 -0.28 0.00 -0.52 0.00 0.00 55.73 55.44 2rmj s ARG 824 Cb -0.15 -0.81 -0.09 0.00 0.52 0.00 0.00 34.95 34.41 2rmj s ARG 824 CO 0.09 -0.41 0.97 0.14 0.02 0.00 0.00 175.30 176.11 2rmj s VAL 825 N 2.18 4.03 -1.16 3.52 -7.23 -1.25 -3.72 120.40 116.76 2rmj s VAL 825 Ca 0.04 1.84 -0.17 0.00 -1.81 0.00 0.00 61.98 61.88 2rmj s VAL 825 Cb -0.13 -4.09 0.12 0.00 0.56 0.00 0.00 36.38 32.83 2rmj s VAL 825 CO -0.05 0.29 1.47 -0.63 -0.31 0.00 0.00 175.10 175.87 2rmj s ILE 826 N -1.40 4.57 -0.73 -0.62 1.01 -1.15 -3.83 121.20 119.05 2rmj s ILE 826 Ca 0.47 -1.99 0.00 0.00 0.00 0.00 0.00 60.65 59.12 2rmj s ILE 826 Cb -0.23 -4.99 0.00 0.00 0.01 0.00 0.00 42.46 37.25 2rmj s ILE 826 CO 0.29 -1.76 0.00 -0.62 0.00 0.00 0.00 174.94 172.85 2rmj n GLU 827 N 7.03 -0.50 -2.64 2.79 1.02 -1.26 -2.65 120.64 124.43 2rmj n GLU 827 Ca 0.37 0.73 -0.15 0.00 -0.02 0.00 0.00 57.16 58.09 2rmj n GLU 827 Cb 0.46 -4.52 0.02 0.00 -0.02 0.00 0.00 31.44 27.37 2rmj n GLU 827 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2rmj n GLU 828 N -2.75 -2.78 -0.04 3.49 1.02 -1.25 -4.88 120.64 113.44 2rmj n GLU 828 Ca -0.07 0.66 -0.03 0.00 -0.02 0.00 0.00 57.16 57.71 2rmj n GLU 828 Cb 0.23 -4.96 -0.09 0.00 -0.02 0.00 0.00 31.44 26.60 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 -2.39 0.59 -0.31 0.00 3.76 -1.26 -4.98 115.29 110.69 2rmj s HIS 830 Ca -0.05 -0.98 0.02 0.00 -0.15 0.00 0.00 55.06 53.91 2rmj s HIS 830 Cb 0.04 -0.27 0.08 0.00 1.11 0.00 0.00 32.58 33.54 2rmj s HIS 830 CO 0.45 -0.59 -0.00 0.71 -0.85 0.00 0.00 174.74 174.46 2rmj s TYR 831 N -3.99 3.51 0.17 1.40 2.02 -1.18 -2.93 117.35 116.35 2rmj s TYR 831 Ca 0.18 -2.59 0.01 0.00 -0.37 0.00 0.00 57.07 54.31 2rmj s TYR 831 Cb 0.06 -2.49 -0.05 0.00 -0.40 0.00 0.00 41.96 39.08 2rmj s TYR 831 CO -0.01 -0.91 0.01 0.95 -1.57 0.00 0.00 175.55 174.02 2rmj s THR 832 N 1.03 0.61 0.19 -0.71 -4.23 -1.24 -0.16 115.64 111.12 2rmj s THR 832 Ca 0.01 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.57 2rmj s THR 832 Cb -0.20 -2.13 -0.05 0.00 1.34 0.00 0.00 72.50 71.46 2rmj s THR 832 CO -0.06 -0.45 0.03 0.68 -0.54 0.00 0.00 174.62 174.28 2rmj s VAL 833 N -3.71 0.59 0.37 2.29 -7.23 -1.26 0.01 120.40 111.47 2rmj s VAL 833 Ca 0.25 -1.98 0.07 0.00 -1.81 0.00 0.00 61.98 58.50 2rmj s VAL 833 Cb 0.06 -2.25 -0.07 0.00 0.56 0.00 0.00 36.38 34.68 2rmj s VAL 833 CO 0.04 -0.35 -0.01 -0.76 -0.31 0.00 0.00 175.10 173.71 2rmj s LEU 834 N -3.20 2.70 0.00 1.32 1.02 0.19 -4.92 118.68 115.79 2rmj s LEU 834 Ca 0.28 -1.32 0.00 0.00 0.02 0.00 0.00 54.13 53.10 2rmj s LEU 834 Cb 0.07 -0.81 0.00 0.00 0.02 0.00 0.00 46.19 45.46 2rmj s LEU 834 CO 0.06 -0.42 0.00 0.61 0.02 0.00 0.00 176.35 176.62 2rmj n GLY 835 N -0.86 2.32 0.04 -3.19 0.00 -1.26 -4.76 105.19 97.49 2rmj n GLY 835 Ca -0.05 -1.66 0.14 0.00 0.00 0.00 0.00 46.02 44.45 2rmj n GLY 835 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2rmj n ASP 836 N 0.00 0.31 -0.34 1.61 5.75 -1.26 -3.38 116.55 119.24 2rmj n ASP 836 Ca 0.00 0.51 0.01 0.00 -0.01 0.00 0.00 54.79 55.30 2rmj n ASP 836 Cb 0.00 -0.59 0.15 0.00 -1.03 0.00 0.00 41.12 39.65 2rmj n ASP 836 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2rmj h ALA 837 N 2.82 1.26 0.00 2.12 0.00 -2.01 -1.30 119.26 122.15 2rmj h ALA 837 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2rmj h ALA 837 Cb 0.59 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2rmj h ALA 837 CO 0.00 0.37 -0.85 0.27 0.00 0.00 0.00 179.25 179.04 2rmj h PHE 838 N 1.08 0.00 -0.00 0.00 -5.15 -1.85 -3.28 116.94 107.73 2rmj h PHE 838 Ca 0.39 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.16 2rmj h PHE 838 Cb 0.14 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.31 2rmj h PHE 838 CO -0.02 0.26 0.01 0.87 -2.00 0.00 0.00 178.31 177.43 2rmj h LYS 839 N 0.00 0.00 0.00 6.09 1.57 -1.27 0.45 116.57 123.41 2rmj h LYS 839 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2rmj h LYS 839 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2rmj h LYS 839 CO 0.03 0.00 -0.71 -0.85 -0.57 0.00 0.00 179.45 177.35 2rmj n GLU 840 N -3.65 0.13 0.11 3.15 0.28 -1.02 -3.64 120.64 116.00 2rmj n GLU 840 Ca -0.03 0.01 0.10 0.00 -0.16 0.00 0.00 57.16 57.09 2rmj n GLU 840 Cb 0.09 -1.56 0.02 0.00 1.43 0.00 0.00 31.44 31.41 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 -2.76 0.21 -3.90 0.00 -1.74 -0.44 -2.86 117.46 105.97 2rmj n PHE 842 Ca -0.00 -0.74 -0.09 0.00 -0.56 0.00 0.00 57.45 56.06 2rmj n PHE 842 Cb 0.57 -0.06 -0.05 0.00 1.52 0.00 0.00 39.48 41.47 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 -1.72 0.02 -0.12 1.97 -7.23 -0.35 -4.42 120.40 108.55 2rmj s VAL 843 Ca 0.03 -1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 58.98 2rmj s VAL 843 Cb 0.00 -1.91 0.04 0.00 0.56 0.00 0.00 36.38 35.07 2rmj s VAL 843 CO 0.02 -0.11 0.02 -0.55 -0.31 0.00 0.00 175.10 174.16 2rmj s SER 844 N -2.96 2.08 -0.31 4.85 0.15 -1.26 -1.75 113.70 114.50 2rmj s SER 844 Ca 0.17 -0.36 0.01 0.00 0.70 0.00 0.00 55.95 56.47 2rmj s SER 844 Cb 0.00 -0.49 0.09 0.00 -1.71 0.00 0.00 66.02 63.91 2rmj s SER 844 CO 0.03 -0.24 0.05 -0.13 1.20 0.00 0.00 173.24 174.16 2rmj s ARG 845 N 1.94 1.14 0.16 5.44 1.81 0.26 -4.92 118.95 124.78 2rmj s ARG 845 Ca 0.03 -1.35 -0.00 0.00 -1.72 0.00 0.00 55.73 52.69 2rmj s ARG 845 Cb -0.14 -2.54 0.00 0.00 -0.45 0.00 0.00 34.95 31.82 2rmj s ARG 845 CO -0.06 -0.90 1.38 -1.00 -0.68 0.00 0.00 175.30 174.04 2rmj h PRO 846 N 7.89 0.32 -0.79 3.54 0.13 -1.86 -2.96 132.00 138.26 2rmj h PRO 846 Ca -0.11 -0.31 0.07 0.00 -0.87 0.00 0.00 66.00 64.78 2rmj h PRO 846 Cb 1.03 0.08 -0.10 0.00 0.13 0.00 0.00 31.00 32.14 2rmj h PRO 846 CO 0.48 0.99 -0.47 0.72 -0.23 0.00 0.00 178.00 179.49 2rmj n HIS 847 N -3.75 -0.35 -2.52 1.56 8.25 -1.26 -4.32 115.22 112.84 2rmj n HIS 847 Ca -0.05 0.99 -0.39 0.00 -0.26 0.00 0.00 57.72 58.02 2rmj n HIS 847 Cb 0.78 -0.56 -0.04 0.00 1.12 0.00 0.00 29.99 31.28 2rmj n HIS 847 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2rmj s PRO 848 N -5.03 4.47 -0.20 -0.41 0.04 -1.25 -5.04 135.00 127.59 2rmj s PRO 848 Ca -0.10 1.68 -0.05 0.00 0.04 0.00 0.00 61.00 62.57 2rmj s PRO 848 Cb 0.09 -2.95 0.07 0.00 0.04 0.00 0.00 34.50 31.75 2rmj s PRO 848 CO 0.49 0.10 0.12 0.15 0.04 0.00 0.00 177.00 177.90 2rmj s LYS 849 N -1.82 0.11 0.00 4.56 1.02 -1.26 -4.57 119.74 117.78 2rmj s LYS 849 Ca 0.49 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 56.35 2rmj s LYS 849 Cb -0.28 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 2rmj s LYS 849 CO 0.35 -0.74 0.00 -0.35 -0.92 0.00 0.00 175.35 173.69 2rmj n PRO 850 N 5.28 0.65 -4.52 -1.68 -0.04 -1.26 -5.10 135.00 128.33 2rmj n PRO 850 Ca -0.07 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.14 2rmj n PRO 850 Cb 0.48 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.83 2rmj n PRO 850 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2rmj s LYS 851 N -0.70 1.87 -0.32 0.54 0.00 -1.26 -4.86 119.74 115.00 2rmj s LYS 851 Ca 0.00 -1.93 -0.01 0.00 0.00 0.00 0.00 55.97 54.03 2rmj s LYS 851 Cb 0.00 -1.73 -0.01 0.00 0.00 0.00 0.00 37.83 36.08 2rmj s LYS 851 CO 0.00 0.12 0.29 0.94 0.00 0.00 0.00 175.35 176.70 2rmj n GLN 852 N -0.83 -0.65 -0.63 1.78 -0.06 -1.26 -5.05 117.38 110.68 2rmj n GLN 852 Ca -0.05 0.50 -0.19 0.00 -2.00 0.00 0.00 57.00 55.26 2rmj n GLN 852 Cb 0.64 -2.98 0.16 0.00 -4.06 0.00 0.00 30.24 24.00 2rmj n GLN 852 CO 0.00 0.00 0.00 1.97 -0.20 0.00 0.00 177.06 178.83 2rmj n PHE 853 N -1.78 -3.54 -4.20 3.69 1.16 -1.26 -5.09 117.46 106.44 2rmj n PHE 853 Ca -0.01 -0.63 -0.15 0.00 -1.87 0.00 0.00 57.45 54.79 2rmj n PHE 853 Cb 0.53 -0.74 -0.02 0.00 -1.61 0.00 0.00 39.48 37.63 2rmj n PHE 853 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2rmj n SER 854 N -4.25 2.46 -3.82 5.98 2.88 -1.26 -5.03 113.62 110.58 2rmj n SER 854 Ca 0.10 -2.01 -0.42 0.00 -1.33 0.00 0.00 58.87 55.20 2rmj n SER 854 Cb 0.38 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 2rmj n SER 854 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2rmj n SER 855 N -1.33 4.41 -2.24 -3.46 7.64 -1.26 -4.82 113.62 112.56 2rmj n SER 855 Ca -0.08 -2.95 0.00 0.00 1.01 0.00 0.00 58.87 56.85 2rmj n SER 855 Cb 0.30 -1.59 0.01 0.00 -1.01 0.00 0.00 64.21 61.92 2rmj n SER 855 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2rmj n PHE 856 N 5.28 -0.48 -3.47 1.43 3.72 -1.26 -5.10 117.46 117.58 2rmj n PHE 856 Ca 0.47 -0.42 -0.43 0.00 -0.05 0.00 0.00 57.45 57.02 2rmj n PHE 856 Cb 0.38 0.20 -0.06 0.00 -0.94 0.00 0.00 39.48 39.06 2rmj n PHE 856 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2rmj s GLU 857 N -2.01 2.96 -0.67 -1.08 2.02 -1.26 -5.02 118.70 113.64 2rmj s GLU 857 Ca 0.13 -2.14 -0.27 0.00 0.02 0.00 0.00 54.97 52.71 2rmj s GLU 857 Cb -0.01 -4.12 0.02 0.00 0.10 0.00 0.00 34.13 30.12 2rmj s GLU 857 CO 0.01 -1.25 1.42 0.15 0.02 0.00 0.00 175.26 175.61 2rmj s LYS 858 N 0.73 3.12 0.00 1.61 1.02 -1.26 -2.83 119.74 122.12 2rmj s LYS 858 Ca 0.11 0.11 0.24 0.00 0.02 0.00 0.00 55.97 56.45 2rmj s LYS 858 Cb -0.20 -4.20 0.50 0.00 -0.52 0.00 0.00 37.83 33.40 2rmj s LYS 858 CO -0.03 -2.19 1.43 -2.13 -0.92 0.00 0.00 175.35 171.51 2rmj n ARG 859 N 9.13 2.17 -3.65 1.68 0.63 -0.90 -4.92 116.66 120.80 2rmj n ARG 859 Ca 0.09 -1.73 -0.02 0.00 -0.92 0.00 0.00 57.85 55.27 2rmj n ARG 859 Cb 0.50 -1.47 -0.06 0.00 0.45 0.00 0.00 32.46 31.88 2rmj n ARG 859 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2rmj s ALA 860 N -1.84 -2.20 0.30 5.13 0.00 -1.09 -4.76 121.76 117.30 2rmj s ALA 860 Ca 0.33 1.75 0.04 0.00 0.00 0.00 0.00 51.96 54.08 2rmj s ALA 860 Cb 0.21 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 2rmj s ALA 860 CO 0.31 -0.14 0.45 0.15 0.00 0.00 0.00 175.76 176.52 2rmj s LYS 861 N -0.33 3.39 0.13 0.00 3.01 -1.12 0.81 119.74 125.62 2rmj s LYS 861 Ca 0.08 -0.66 0.08 0.00 -1.01 0.00 0.00 55.97 54.47 2rmj s LYS 861 Cb -0.04 -2.80 -0.04 0.00 -1.01 0.00 0.00 37.83 33.95 2rmj s LYS 861 CO -0.13 0.26 -0.19 0.96 0.51 0.00 0.00 175.35 176.75 2rmj s ILE 862 N -2.14 1.71 0.33 2.17 -5.25 -1.24 0.91 121.20 117.70 2rmj s ILE 862 Ca 0.38 -1.69 -0.06 0.00 -0.99 0.00 0.00 60.65 58.29 2rmj s ILE 862 Cb -0.09 -1.65 0.01 0.00 2.95 0.00 0.00 42.46 43.68 2rmj s ILE 862 CO 0.32 -0.18 0.53 -0.36 -1.79 0.00 0.00 174.94 173.45 2rmj s PHE 863 N -1.56 0.79 0.01 1.37 0.40 -0.72 -3.23 117.98 115.04 2rmj s PHE 863 Ca 0.10 -1.12 -0.30 0.00 -0.60 0.00 0.00 56.93 55.01 2rmj s PHE 863 Cb -0.08 0.12 -0.05 0.00 0.51 0.00 0.00 43.02 43.52 2rmj s PHE 863 CO 0.05 -1.19 1.25 0.00 0.70 0.00 0.00 175.22 176.03 2rmj n ALA 865 N 4.67 1.52 -0.69 0.00 0.00 -1.13 -4.73 120.51 120.16 2rmj n ALA 865 Ca 0.11 0.06 -0.10 0.00 0.00 0.00 0.00 53.44 53.51 2rmj n ALA 865 Cb 0.46 -1.31 0.16 0.00 0.00 0.00 0.00 19.45 18.76 2rmj n ALA 865 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2rmj n ARG 866 N -1.99 -3.28 0.03 0.00 5.12 -1.26 -4.90 116.66 110.37 2rmj n ARG 866 Ca 0.02 -0.85 -0.10 0.00 -1.93 0.00 0.00 57.85 54.99 2rmj n ARG 866 Cb 0.17 -1.02 -0.04 0.00 -1.16 0.00 0.00 32.46 30.41 2rmj n ARG 866 CO 0.00 0.00 0.00 0.37 -1.93 0.00 0.00 177.63 176.07 2rmj h GLN 867 N 0.00 -0.20 -6.05 5.56 5.75 -2.02 -3.41 115.11 114.73 2rmj h GLN 867 Ca -0.22 0.01 -0.83 0.00 -0.15 0.00 0.00 58.65 57.46 2rmj h GLN 867 Cb 0.73 0.05 0.01 0.00 1.07 0.00 0.00 27.48 29.33 2rmj h GLN 867 CO 0.14 -0.14 0.77 0.09 -2.65 0.00 0.00 178.83 177.04 2rmj n ASN 868 N -5.28 1.60 -0.01 -0.69 4.13 -1.26 -4.79 115.26 108.96 2rmj n ASN 868 Ca -0.04 1.14 0.05 0.00 1.68 0.00 0.00 54.58 57.41 2rmj n ASN 868 Cb 0.20 -0.97 -0.10 0.00 -1.54 0.00 0.00 39.78 37.37 2rmj n ASN 868 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2rmj n SER 870 N -2.01 5.31 -3.94 0.00 3.41 -1.26 -4.82 113.62 110.30 2rmj n SER 870 Ca -0.05 -3.46 -0.30 0.00 -0.26 0.00 0.00 58.87 54.80 2rmj n SER 870 Cb 0.41 -0.88 -0.16 0.00 -0.26 0.00 0.00 64.21 63.32 2rmj n SER 870 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2rmj s HIS 871 N -2.99 2.29 -0.31 7.33 5.04 -1.26 -5.10 115.29 120.29 2rmj s HIS 871 Ca 0.51 -1.61 -0.11 0.00 -1.54 0.00 0.00 55.06 52.31 2rmj s HIS 871 Cb 0.42 -1.55 -0.03 0.00 0.04 0.00 0.00 32.58 31.46 2rmj s HIS 871 CO 0.05 -0.74 0.20 0.16 -2.34 0.00 0.00 174.74 172.06 2rmj s ASP 872 N 1.43 5.93 -0.07 9.88 -4.77 -1.26 -3.10 116.67 124.72 2rmj s ASP 872 Ca -0.04 -0.26 -0.12 0.00 -3.30 0.00 0.00 52.55 48.83 2rmj s ASP 872 Cb -0.18 -2.10 -0.08 0.00 -1.09 0.00 0.00 42.92 39.47 2rmj s ASP 872 CO -0.07 -0.15 0.49 -0.50 0.70 0.00 0.00 175.17 175.64 2rmj h TRP 873 N 8.41 -0.26 0.00 2.11 4.06 -1.86 -3.49 115.95 124.92 2rmj h TRP 873 Ca -0.33 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.61 2rmj h TRP 873 Cb 1.17 0.08 0.00 0.00 -1.00 0.00 0.00 29.16 29.41 2rmj h TRP 873 CO 0.70 -0.03 0.00 0.41 -3.56 0.00 0.00 178.44 175.95 2rmj n GLY 874 N 0.94 4.03 3.25 1.49 0.00 -1.24 -4.80 105.19 108.86 2rmj n GLY 874 Ca -0.05 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 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 1.36 0.09 -0.38 -0.61 -5.25 -1.20 -3.71 121.20 111.51 2rmj s ILE 875 Ca 0.00 -0.78 -0.09 0.00 -0.99 0.00 0.00 60.65 58.79 2rmj s ILE 875 Cb 0.00 -1.05 0.05 0.00 2.95 0.00 0.00 42.46 44.41 2rmj s ILE 875 CO 0.00 -0.43 0.20 -2.28 -1.79 0.00 0.00 174.94 170.64 2rmj s HIS 876 N -3.01 3.29 0.04 1.37 2.46 0.24 -1.62 115.29 118.06 2rmj s HIS 876 Ca -0.02 -1.35 0.01 0.00 0.47 0.00 0.00 55.06 54.17 2rmj s HIS 876 Cb 0.01 -2.62 0.01 0.00 -0.13 0.00 0.00 32.58 29.85 2rmj s HIS 876 CO -0.06 -0.76 0.05 1.33 -2.47 0.00 0.00 174.74 172.82 2rmj n VAL 877 N 4.91 0.00 -3.73 0.89 0.24 -1.24 -2.11 118.33 117.29 2rmj n VAL 877 Ca -0.11 -0.14 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 2rmj n VAL 877 Cb 0.44 -0.79 -0.14 0.00 -1.47 0.00 0.00 33.84 31.89 2rmj n VAL 877 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2rmj s LYS 878 N -2.17 0.16 0.33 7.34 2.36 -1.13 -3.62 119.74 123.02 2rmj s LYS 878 Ca 0.03 0.50 0.07 0.00 -2.55 0.00 0.00 55.97 54.02 2rmj s LYS 878 Cb -0.00 -0.14 -0.01 0.00 -1.05 0.00 0.00 37.83 36.62 2rmj s LYS 878 CO 0.02 -0.17 0.42 0.71 1.55 0.00 0.00 175.35 177.88 2rmj s TYR 879 N 1.32 3.06 -1.83 4.03 1.51 0.12 -4.49 117.35 121.07 2rmj s TYR 879 Ca -0.08 -0.24 0.23 0.00 -1.01 0.00 0.00 57.07 55.96 2rmj s TYR 879 Cb -0.11 -1.94 1.28 0.00 -0.11 0.00 0.00 41.96 41.08 2rmj s TYR 879 CO -0.08 0.04 1.72 1.63 -1.11 0.00 0.00 175.55 177.76 2rmj n LYS 880 N -1.57 0.59 -0.07 -0.62 4.01 -1.26 -3.29 118.16 115.95 2rmj n LYS 880 Ca -0.01 0.02 -0.15 0.00 -0.51 0.00 0.00 58.31 57.66 2rmj n LYS 880 Cb 0.58 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.55 2rmj n LYS 880 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2rmj n THR 881 N -1.08 0.81 -4.01 -0.18 5.66 -1.26 -5.10 114.28 109.12 2rmj n THR 881 Ca 0.15 -0.21 -0.11 0.00 -3.05 0.00 0.00 64.05 60.83 2rmj n THR 881 Cb 0.11 -1.65 -0.04 0.00 -1.55 0.00 0.00 70.33 67.20 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 -2.27 0.59 -0.22 1.09 0.08 -1.21 -5.15 117.98 110.89 2rmj s PHE 882 Ca -0.21 -0.94 0.02 0.00 0.12 0.00 0.00 56.93 55.92 2rmj s PHE 882 Cb 0.08 0.17 0.05 0.00 -0.57 0.00 0.00 43.02 42.75 2rmj s PHE 882 CO 0.26 -1.12 -0.12 -1.83 -0.10 0.00 0.00 175.22 172.31 2rmj s GLU 883 N -3.44 2.27 0.15 0.44 -1.05 -1.26 0.13 118.70 115.94 2rmj s GLU 883 Ca 0.24 -1.03 -0.19 0.00 -0.15 0.00 0.00 54.97 53.84 2rmj s GLU 883 Cb -0.01 -2.63 0.05 0.00 -0.44 0.00 0.00 34.13 31.09 2rmj s GLU 883 CO 0.13 -0.45 0.50 0.96 0.95 0.00 0.00 175.26 177.36 2rmj s ILE 884 N 1.27 0.04 0.79 1.83 -5.25 -1.24 -5.01 121.20 113.63 2rmj s ILE 884 Ca -0.03 -0.40 -0.11 0.00 -0.99 0.00 0.00 60.65 59.12 2rmj s ILE 884 Cb -0.17 -1.18 0.07 0.00 2.95 0.00 0.00 42.46 44.13 2rmj s ILE 884 CO -0.08 -0.16 1.10 -2.16 -1.79 0.00 0.00 174.94 171.84 2rmj s PRO 885 N -3.80 2.12 -0.02 0.37 0.04 -1.26 -3.60 135.00 128.85 2rmj s PRO 885 Ca 0.03 0.65 0.02 0.00 0.04 0.00 0.00 61.00 61.74 2rmj s PRO 885 Cb 0.00 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.63 2rmj s PRO 885 CO -0.11 -1.60 -0.06 0.08 0.04 0.00 0.00 177.00 175.36 2rmj s VAL 886 N -3.15 0.55 0.49 -0.36 1.01 -0.64 -4.67 120.40 113.63 2rmj s VAL 886 Ca 0.61 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.38 2rmj s VAL 886 Cb -0.14 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 2rmj s VAL 886 CO 0.54 0.19 0.06 -0.63 0.00 0.00 0.00 175.10 175.26 2rmj s ILE 887 N 0.34 0.82 0.03 2.22 -1.09 0.77 -3.21 121.20 121.09 2rmj s ILE 887 Ca -0.04 -2.00 0.00 0.00 -2.23 0.00 0.00 60.65 56.38 2rmj s ILE 887 Cb -0.08 -2.11 0.00 0.00 -1.58 0.00 0.00 42.46 38.69 2rmj s ILE 887 CO 0.00 0.00 0.03 0.29 -1.23 0.00 0.00 174.94 174.03 2rmj n LYS 888 N -1.18 1.41 -0.07 2.79 4.01 -1.26 -3.11 118.16 120.75 2rmj n LYS 888 Ca -0.16 -0.22 -0.10 0.00 -0.51 0.00 0.00 58.31 57.33 2rmj n LYS 888 Cb 0.66 0.02 -0.15 0.00 -0.51 0.00 0.00 35.03 35.05 2rmj n LYS 888 CO 0.00 0.00 0.00 1.51 -1.11 0.00 0.00 177.40 177.80 2rmj n ILE 889 N -0.62 1.47 0.77 -0.18 0.00 -1.26 -4.06 119.36 115.47 2rmj n ILE 889 Ca -0.00 -0.83 0.10 0.00 0.00 0.00 0.00 62.75 62.02 2rmj n ILE 889 Cb 0.04 -0.69 0.28 0.00 0.00 0.00 0.00 39.64 39.27 2rmj n ILE 889 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 2rmj n GLU 890 N -2.87 2.05 0.01 9.51 0.28 -1.26 -4.01 120.64 124.34 2rmj n GLU 890 Ca -0.28 -1.59 -0.11 0.00 -0.16 0.00 0.00 57.16 55.02 2rmj n GLU 890 Cb 1.12 -1.42 0.02 0.00 1.43 0.00 0.00 31.44 32.59 2rmj n GLU 890 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2rmj h SER 891 N 2.98 0.65 -5.50 -1.84 0.87 -1.90 -3.47 113.55 105.34 2rmj h SER 891 Ca 0.00 -0.38 -0.20 0.00 -1.23 0.00 0.00 61.79 59.98 2rmj h SER 891 Cb 0.66 -0.19 -0.14 0.00 -0.44 0.00 0.00 62.40 62.29 2rmj h SER 891 CO 0.00 1.12 -0.54 0.72 -0.53 0.00 0.00 176.83 177.60 2rmj s PHE 892 N -3.85 0.97 0.41 2.24 -0.12 -1.26 -4.53 117.98 111.84 2rmj s PHE 892 Ca -0.07 -1.24 0.02 0.00 -0.05 0.00 0.00 56.93 55.59 2rmj s PHE 892 Cb 0.11 -0.42 -0.01 0.00 -0.63 0.00 0.00 43.02 42.07 2rmj s PHE 892 CO 0.85 -0.67 0.60 0.14 -0.05 0.00 0.00 175.22 176.09 2rmj s VAL 893 N -4.11 4.03 -0.24 -2.49 -7.23 0.14 -4.73 120.40 105.77 2rmj s VAL 893 Ca 0.33 -0.67 0.02 0.00 -1.81 0.00 0.00 61.98 59.86 2rmj s VAL 893 Cb 0.06 -3.46 0.05 0.00 0.56 0.00 0.00 36.38 33.59 2rmj s VAL 893 CO 0.09 -0.27 -0.11 0.54 -0.31 0.00 0.00 175.10 175.04 2rmj s VAL 894 N -2.42 2.05 -0.23 1.32 0.11 0.02 -0.98 120.40 120.28 2rmj s VAL 894 Ca 0.47 -1.47 -0.04 0.00 -2.93 0.00 0.00 61.98 58.01 2rmj s VAL 894 Cb -0.10 -2.14 -0.01 0.00 -1.53 0.00 0.00 36.38 32.60 2rmj s VAL 894 CO 0.35 0.04 -0.02 -0.70 -3.33 0.00 0.00 175.10 171.45 2rmj s GLU 895 N 1.17 3.40 0.30 1.54 2.12 0.46 -1.79 118.70 125.90 2rmj s GLU 895 Ca -0.06 -0.62 -0.28 0.00 0.36 0.00 0.00 54.97 54.37 2rmj s GLU 895 Cb -0.19 -3.07 -0.09 0.00 0.26 0.00 0.00 34.13 31.04 2rmj s GLU 895 CO -0.06 -0.21 1.05 -0.51 -0.54 0.00 0.00 175.26 174.99 2rmj s ASP 896 N 1.50 7.25 0.00 -1.70 1.01 -1.03 0.10 116.67 123.80 2rmj s ASP 896 Ca 0.06 2.14 0.26 0.00 0.71 0.00 0.00 52.55 55.72 2rmj s ASP 896 Cb -0.14 -2.61 0.74 0.00 1.01 0.00 0.00 42.92 41.92 2rmj s ASP 896 CO -0.02 -0.15 1.56 -0.38 0.21 0.00 0.00 175.17 176.40 2rmj n ILE 897 N 0.97 0.00 -0.04 0.77 -0.00 -1.26 0.15 119.36 119.94 2rmj n ILE 897 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 62.75 62.67 2rmj n ILE 897 Cb 0.46 0.28 -0.15 0.00 -0.00 0.00 0.00 39.64 40.23 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 -0.96 2.11 -0.02 -1.39 0.00 -1.26 -4.52 120.51 114.46 2rmj n ALA 898 Ca 0.10 -0.88 -0.02 0.00 0.00 0.00 0.00 53.44 52.64 2rmj n ALA 898 Cb 0.34 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 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 -2.57 0.34 -1.98 0.00 -2.24 -1.23 -5.02 114.28 101.58 2rmj n THR 899 Ca -0.18 -0.22 -0.12 0.00 -2.27 0.00 0.00 64.05 61.27 2rmj n THR 899 Cb 0.87 -0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 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 2.63 0.26 3.39 3.38 0.00 0.39 -4.98 105.19 110.26 2rmj n GLY 900 Ca -0.08 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 2rmj n GLY 900 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rmj s VAL 901 N -2.54 3.45 0.11 1.61 0.11 -1.23 -4.85 120.40 117.05 2rmj s VAL 901 Ca 0.00 -0.50 -0.04 0.00 -2.93 0.00 0.00 61.98 58.52 2rmj s VAL 901 Cb 0.00 -2.52 -0.05 0.00 -1.53 0.00 0.00 36.38 32.28 2rmj s VAL 901 CO 0.00 0.48 0.32 0.00 -3.33 0.00 0.00 175.10 172.57 2rmj s GLN 902 N 0.78 3.57 -0.16 1.54 -2.07 -1.26 -2.47 119.66 119.59 2rmj s GLN 902 Ca -0.03 -0.19 -0.18 0.00 -1.82 0.00 0.00 55.36 53.15 2rmj s GLN 902 Cb -0.15 -2.92 0.05 0.00 -1.09 0.00 0.00 33.01 28.90 2rmj s GLN 902 CO 0.02 0.52 0.49 0.99 -1.32 0.00 0.00 175.29 175.99 2rmj s THR 903 N -1.59 0.01 -0.10 3.63 2.01 -0.74 -4.94 115.64 113.92 2rmj s THR 903 Ca 0.38 -0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.37 2rmj s THR 903 Cb -0.12 -0.71 0.00 0.00 0.01 0.00 0.00 72.50 71.68 2rmj s THR 903 CO 0.25 -0.03 -0.22 -1.48 -0.69 0.00 0.00 174.62 172.45 2rmj s LEU 904 N -0.03 2.02 0.00 4.42 0.05 -1.26 -0.80 118.68 123.08 2rmj s LEU 904 Ca -0.02 -0.52 0.01 0.00 0.05 0.00 0.00 54.13 53.64 2rmj s LEU 904 Cb -0.03 -1.32 0.01 0.00 -2.05 0.00 0.00 46.19 42.79 2rmj s LEU 904 CO 0.02 0.13 0.06 -1.22 -0.55 0.00 0.00 176.35 174.79 2rmj n TYR 905 N 3.61 -2.19 0.03 3.48 4.01 -1.26 -5.08 117.16 119.75 2rmj n TYR 905 Ca -0.20 -0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.32 2rmj n TYR 905 Cb 0.53 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 2rmj n TYR 905 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2rmj n SER 906 N -2.47 0.19 -4.93 7.72 2.88 -1.26 -4.23 113.62 111.51 2rmj n SER 906 Ca 0.01 0.09 -0.25 0.00 -1.33 0.00 0.00 58.87 57.38 2rmj n SER 906 Cb 0.06 -0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 63.50 2rmj n SER 906 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2rmj s LYS 907 N -2.00 3.51 0.34 -1.46 2.47 -1.26 -4.43 119.74 116.92 2rmj s LYS 907 Ca 0.00 -0.12 0.16 0.00 -1.56 0.00 0.00 55.97 54.44 2rmj s LYS 907 Cb 0.00 -2.56 0.58 0.00 -1.46 0.00 0.00 37.83 34.39 2rmj s LYS 907 CO 0.00 0.02 1.70 -1.49 0.16 0.00 0.00 175.35 175.74 2rmj h TRP 908 N 0.60 0.00 0.00 4.03 6.55 -1.98 -1.95 115.95 123.20 2rmj h TRP 908 Ca -0.49 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.35 2rmj h TRP 908 Cb 1.21 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.51 2rmj h TRP 908 CO 0.54 0.45 0.00 1.57 -1.05 0.00 0.00 178.44 179.95 2rmj h LYS 909 N 0.00 0.00 -0.00 0.49 2.10 -2.01 -0.47 116.57 116.68 2rmj h LYS 909 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2rmj h LYS 909 Cb 0.95 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.28 2rmj h LYS 909 CO 0.06 0.00 -0.31 -0.25 -2.00 0.00 0.00 179.45 176.95 2rmj n ASP 910 N -2.46 0.33 -4.71 7.07 9.92 -0.73 -4.90 116.55 121.07 2rmj n ASP 910 Ca 0.01 -0.01 -0.33 0.00 -0.53 0.00 0.00 54.79 53.94 2rmj n ASP 910 Cb 0.24 -0.03 0.12 0.00 -0.64 0.00 0.00 41.12 40.81 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 -2.97 1.94 -0.16 1.24 -0.71 -0.19 -4.93 117.98 112.21 2rmj s PHE 911 Ca 0.13 1.67 0.15 0.00 -1.04 0.00 0.00 56.93 57.84 2rmj s PHE 911 Cb 0.18 -3.38 0.35 0.00 -1.21 0.00 0.00 43.02 38.96 2rmj s PHE 911 CO 0.63 -2.61 1.18 1.58 -1.34 0.00 0.00 175.22 174.66 2rmj n HIS 912 N -3.36 0.00 -2.91 3.49 -0.00 -1.26 -5.04 115.22 106.14 2rmj n HIS 912 Ca 0.12 -1.20 0.00 0.00 0.46 0.00 0.00 57.72 57.11 2rmj n HIS 912 Cb 0.51 -0.20 0.00 0.00 -0.12 0.00 0.00 29.99 30.19 2rmj n HIS 912 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 2rmj n PHE 913 N -1.18 -2.78 -4.22 1.57 3.72 -1.26 -5.15 117.46 108.16 2rmj n PHE 913 Ca 0.17 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.44 2rmj n PHE 913 Cb 0.68 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 39.12 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 -1.63 1.07 -0.08 -1.08 -1.05 -1.26 -5.13 118.70 109.55 2rmj s GLU 914 Ca 0.00 -1.52 -0.29 0.00 -0.15 0.00 0.00 54.97 53.02 2rmj s GLU 914 Cb 0.00 -0.18 -0.02 0.00 -0.44 0.00 0.00 34.13 33.49 2rmj s GLU 914 CO 0.00 -0.15 0.95 -1.59 0.95 0.00 0.00 175.26 175.42 2rmj s LYS 915 N -3.94 4.44 -0.02 -4.83 -2.85 -1.26 -4.48 119.74 106.80 2rmj s LYS 915 Ca 0.24 1.31 0.01 0.00 -1.00 0.00 0.00 55.97 56.53 2rmj s LYS 915 Cb 0.06 -3.52 0.01 0.00 -2.06 0.00 0.00 37.83 32.33 2rmj s LYS 915 CO 0.03 -0.22 -0.04 0.42 0.10 0.00 0.00 175.35 175.64 2rmj s ILE 916 N 1.68 0.41 -0.32 3.79 1.01 -1.25 -4.99 121.20 121.54 2rmj s ILE 916 Ca 0.47 -0.14 -0.29 0.00 0.00 0.00 0.00 60.65 60.70 2rmj s ILE 916 Cb -0.19 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 41.87 2rmj s ILE 916 CO 0.20 0.16 1.36 -2.16 0.00 0.00 0.00 174.94 174.49 2rmj s PRO 917 N 0.42 3.83 -0.92 2.79 0.04 -1.26 -3.93 135.00 135.96 2rmj s PRO 917 Ca -0.05 1.22 -0.31 0.00 0.04 0.00 0.00 61.00 61.90 2rmj s PRO 917 Cb -0.08 -3.93 -0.20 0.00 0.04 0.00 0.00 34.50 30.33 2rmj s PRO 917 CO -0.00 -1.24 2.64 0.34 0.04 0.00 0.00 177.00 178.78 2rmj n PHE 918 N 7.97 0.68 -2.48 0.56 -0.00 -1.26 -4.83 117.46 118.10 2rmj n PHE 918 Ca 0.16 0.38 -0.42 0.00 -0.00 0.00 0.00 57.45 57.56 2rmj n PHE 918 Cb 0.47 -2.40 -0.03 0.00 -0.00 0.00 0.00 39.48 37.52 2rmj n PHE 918 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2rmj s ASP 919 N 9.12 7.11 0.41 -2.13 -0.00 -1.26 -4.91 116.67 125.02 2rmj s ASP 919 Ca 1.31 1.89 0.27 0.00 -0.00 0.00 0.00 52.55 56.03 2rmj s ASP 919 Cb -1.17 -2.57 0.88 0.00 -0.00 0.00 0.00 42.92 40.06 2rmj s ASP 919 CO 0.48 -0.48 1.78 1.55 -0.00 0.00 0.00 175.17 178.50 2rmj h PRO 920 N 7.03 0.00 0.00 8.23 0.13 -1.96 -2.86 132.00 142.57 2rmj h PRO 920 Ca -0.39 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 2rmj h PRO 920 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2rmj h PRO 920 CO 0.83 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.49 2rmj h ALA 921 N 2.13 1.32 0.05 -0.56 0.00 -1.91 -1.56 119.26 118.73 2rmj h ALA 921 Ca 0.00 -0.10 -0.26 0.00 0.00 0.00 0.00 54.91 54.55 2rmj h ALA 921 Cb 0.69 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2rmj h ALA 921 CO 0.00 0.14 -1.29 0.93 0.00 0.00 0.00 179.25 179.03 2rmj h GLU 922 N 0.00 0.10 0.57 0.00 5.08 -1.91 -3.37 114.58 115.04 2rmj h GLU 922 Ca -0.00 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 2rmj h GLU 922 Cb 0.30 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2rmj h GLU 922 CO 0.01 0.97 -0.35 1.98 -1.00 0.00 0.00 179.01 180.62 2rmj h MET 923 N 0.03 -0.83 -3.93 2.33 4.05 -1.35 -3.37 114.93 111.85 2rmj h MET 923 Ca -0.13 0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.24 2rmj h MET 923 Cb 1.90 0.19 -0.15 0.00 -0.80 0.00 0.00 31.60 32.74 2rmj h MET 923 CO 0.14 -0.55 -0.49 -1.12 0.23 0.00 0.00 176.91 175.12 2rmj s SER 924 N -3.53 0.24 0.00 1.39 0.01 -1.09 -4.91 113.70 105.81 2rmj s SER 924 Ca -0.13 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.39 2rmj s SER 924 Cb 0.02 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2rmj s SER 924 CO 0.42 -0.66 0.42 1.17 0.41 0.00 0.00 173.24 175.01