#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wb4 s PHE 804 N 0.00 3.03 -0.05 7.33 5.36 -1.26 -5.03 117.98 127.37 1wb4 s PHE 804 Ca 0.00 0.94 0.02 0.00 -0.96 0.00 0.00 56.93 56.93 1wb4 s PHE 804 Cb 0.00 -3.84 0.01 0.00 -0.34 0.00 0.00 43.02 38.85 1wb4 s PHE 804 CO 0.00 -2.81 -0.09 0.15 -1.46 0.00 0.00 175.22 171.00 1wb4 s LYS 805 N -0.01 1.26 0.32 10.12 -0.14 -1.26 -4.43 119.74 125.60 1wb4 s LYS 805 Ca 0.62 -0.31 -0.29 0.00 -1.36 0.00 0.00 55.97 54.63 1wb4 s LYS 805 Cb -0.42 -1.12 -0.12 0.00 -1.68 0.00 0.00 37.83 34.49 1wb4 s LYS 805 CO 0.40 0.03 1.49 0.66 -0.76 0.00 0.00 175.35 177.17 1wb4 n TYR 806 N 3.70 2.70 -4.11 3.18 4.01 0.03 -5.04 117.16 121.62 1wb4 n TYR 806 Ca -0.22 0.39 -0.26 0.00 -0.16 0.00 0.00 57.90 57.65 1wb4 n TYR 806 Cb 0.52 -2.53 -0.06 0.00 -0.31 0.00 0.00 39.34 36.97 1wb4 n TYR 806 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1wb4 s GLU 807 N -1.20 2.81 0.25 -0.72 2.02 -1.26 -4.98 118.70 115.63 1wb4 s GLU 807 Ca 0.60 -0.95 0.19 0.00 0.02 0.00 0.00 54.97 54.83 1wb4 s GLU 807 Cb -0.52 -2.58 0.07 0.00 0.10 0.00 0.00 34.13 31.20 1wb4 s GLU 807 CO 0.56 0.46 1.25 0.66 0.02 0.00 0.00 175.26 178.21 1wb4 h SER 808 N 2.31 0.00 -1.98 -0.19 4.64 -1.96 -2.70 113.55 113.67 1wb4 h SER 808 Ca -0.48 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.31 1wb4 h SER 808 Cb 1.21 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.91 1wb4 h SER 808 CO 0.62 0.27 -1.13 0.00 -0.87 0.00 0.00 176.83 175.72 1wb4 n ALA 809 N -2.22 2.25 -1.75 5.18 0.00 -1.26 -1.77 120.51 120.94 1wb4 n ALA 809 Ca -0.01 -3.38 -0.41 0.00 0.00 0.00 0.00 53.44 49.64 1wb4 n ALA 809 Cb 0.66 -0.85 -0.00 0.00 0.00 0.00 0.00 19.45 19.26 1wb4 n ALA 809 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wb4 n VAL 810 N 1.04 2.06 -4.04 0.00 3.14 -1.26 -4.99 118.33 114.28 1wb4 n VAL 810 Ca 0.22 -0.50 -0.26 0.00 -2.96 0.00 0.00 64.34 60.84 1wb4 n VAL 810 Cb 0.57 -1.85 -0.05 0.00 -1.06 0.00 0.00 33.84 31.45 1wb4 n VAL 810 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1wb4 s GLN 811 N -2.07 3.06 0.23 1.45 -1.52 -1.26 -4.95 119.66 114.60 1wb4 s GLN 811 Ca 0.54 -0.78 -0.32 0.00 -1.95 0.00 0.00 55.36 52.85 1wb4 s GLN 811 Cb -0.50 -2.74 -0.12 0.00 -0.22 0.00 0.00 33.01 29.42 1wb4 s GLN 811 CO 0.63 0.50 1.67 0.98 -0.25 0.00 0.00 175.29 178.82 1wb4 n TYR 812 N -0.39 2.72 -3.64 0.91 9.36 -1.26 -5.00 117.16 119.86 1wb4 n TYR 812 Ca -0.08 0.12 -0.11 0.00 3.32 0.00 0.00 57.90 61.16 1wb4 n TYR 812 Cb 0.54 -2.64 -0.11 0.00 -0.63 0.00 0.00 39.34 36.51 1wb4 n TYR 812 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 1wb4 s ARG 813 N 0.69 0.24 0.64 2.98 3.52 -1.26 -5.03 118.95 120.73 1wb4 s ARG 813 Ca 0.73 0.86 -0.17 0.00 -0.13 0.00 0.00 55.73 57.02 1wb4 s ARG 813 Cb -0.52 0.09 -0.01 0.00 -1.56 0.00 0.00 34.95 32.95 1wb4 s ARG 813 CO 0.37 -0.30 1.16 -1.25 -0.81 0.00 0.00 175.30 174.47 1wb4 s PRO 814 N 2.52 2.78 0.61 5.12 0.04 -1.26 -4.72 135.00 140.09 1wb4 s PRO 814 Ca 0.01 1.60 -0.19 0.00 0.04 0.00 0.00 61.00 62.46 1wb4 s PRO 814 Cb -0.12 -1.93 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 1wb4 s PRO 814 CO -0.11 -1.30 1.32 0.00 0.04 0.00 0.00 177.00 176.95 1wb4 n ALA 815 N -2.11 1.32 -1.53 8.56 0.00 -1.26 -4.95 120.51 120.54 1wb4 n ALA 815 Ca 0.12 0.05 -0.38 0.00 0.00 0.00 0.00 53.44 53.22 1wb4 n ALA 815 Cb 0.51 -2.34 0.04 0.00 0.00 0.00 0.00 19.45 17.66 1wb4 n ALA 815 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1wb4 n PRO 816 N -1.59 0.71 -0.07 0.00 -0.02 -1.26 -4.85 135.00 127.92 1wb4 n PRO 816 Ca 0.14 0.27 0.12 0.00 -2.02 0.00 0.00 63.50 62.01 1wb4 n PRO 816 Cb 0.47 -1.87 0.51 0.00 -0.02 0.00 0.00 33.50 32.59 1wb4 n PRO 816 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1wb4 h ASP 817 N 0.46 0.34 0.02 2.55 3.32 -2.03 0.14 116.42 121.22 1wb4 h ASP 817 Ca -0.46 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 1wb4 h ASP 817 Cb 1.38 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 1wb4 h ASP 817 CO 0.49 0.21 -0.00 0.77 -1.72 0.00 0.00 179.24 178.99 1wb4 h SER 818 N 0.38 0.00 0.86 6.45 4.64 -1.97 -1.81 113.55 122.10 1wb4 h SER 818 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1wb4 h SER 818 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1wb4 h SER 818 CO -0.07 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.67 1wb4 n TYR 819 N -3.59 0.55 1.31 4.77 4.02 0.04 -2.56 117.16 121.70 1wb4 n TYR 819 Ca -0.03 0.20 0.14 0.00 -0.01 0.00 0.00 57.90 58.19 1wb4 n TYR 819 Cb 0.08 -0.82 0.51 0.00 -0.02 0.00 0.00 39.34 39.09 1wb4 n TYR 819 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1wb4 n LEU 820 N -1.99 0.63 -4.88 7.72 4.77 -0.68 -2.66 117.00 119.90 1wb4 n LEU 820 Ca 0.04 -0.06 -0.23 0.00 -0.03 0.00 0.00 56.01 55.74 1wb4 n LEU 820 Cb 0.27 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.14 1wb4 n LEU 820 CO 0.21 0.12 -0.12 0.20 -1.33 0.00 0.00 177.39 176.47 1wb4 s ASN 821 N -2.54 5.88 0.35 -1.43 0.01 -1.06 -4.92 114.94 111.22 1wb4 s ASN 821 Ca 0.25 -0.08 -0.28 0.00 -0.71 0.00 0.00 52.86 52.04 1wb4 s ASN 821 Cb 0.20 -1.62 -0.12 0.00 0.41 0.00 0.00 41.25 40.12 1wb4 s ASN 821 CO 0.51 -0.03 1.38 -2.65 -1.51 0.00 0.00 177.10 174.80 1wb4 n PRO 822 N -1.09 2.35 -3.81 -0.60 -0.02 -1.26 -4.86 135.00 125.70 1wb4 n PRO 822 Ca -0.08 0.82 -0.37 0.00 -2.02 0.00 0.00 63.50 61.85 1wb4 n PRO 822 Cb 0.57 -2.47 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 1wb4 n PRO 822 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wb4 h PRO 824 N 4.81 0.00 -3.26 0.00 0.13 -1.98 -3.25 132.00 128.46 1wb4 h PRO 824 Ca -0.54 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.84 1wb4 h PRO 824 Cb 1.22 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 1wb4 h PRO 824 CO 0.60 0.16 2.13 1.04 -0.23 0.00 0.00 178.00 181.70 1wb4 n GLN 825 N -3.96 3.88 -3.01 0.86 6.02 -1.26 -4.98 117.38 114.93 1wb4 n GLN 825 Ca -0.02 -3.51 -0.40 0.00 -0.01 0.00 0.00 57.00 53.06 1wb4 n GLN 825 Cb 0.25 -2.84 -0.05 0.00 1.02 0.00 0.00 30.24 28.62 1wb4 n GLN 825 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wb4 s ALA 826 N -0.04 3.44 0.64 -1.58 0.00 -1.23 -4.63 121.76 118.35 1wb4 s ALA 826 Ca 0.43 0.02 -0.17 0.00 0.00 0.00 0.00 51.96 52.24 1wb4 s ALA 826 Cb 0.12 -3.05 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 1wb4 s ALA 826 CO -0.02 -0.38 1.21 0.20 0.00 0.00 0.00 175.76 176.77 1wb4 s GLY 827 N 1.00 2.61 0.13 0.00 0.00 -1.26 -4.53 107.32 105.26 1wb4 s GLY 827 Ca 0.36 0.96 -0.27 0.00 0.00 0.00 0.00 44.72 45.76 1wb4 s GLY 827 CO 0.15 1.35 0.85 -1.60 0.00 0.00 0.00 173.10 173.85 1wb4 s ARG 828 N -3.54 4.63 -0.21 2.90 3.52 -0.85 -4.84 118.95 120.56 1wb4 s ARG 828 Ca 0.76 1.26 -0.04 0.00 -0.13 0.00 0.00 55.73 57.59 1wb4 s ARG 828 Cb -0.30 -3.33 -0.01 0.00 -1.56 0.00 0.00 34.95 29.75 1wb4 s ARG 828 CO 0.37 0.38 -0.04 0.42 -0.81 0.00 0.00 175.30 175.62 1wb4 s ILE 829 N -0.51 3.42 -0.19 4.11 1.01 -1.26 -0.61 121.20 127.17 1wb4 s ILE 829 Ca 0.40 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 1wb4 s ILE 829 Cb -0.23 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.68 1wb4 s ILE 829 CO 0.27 0.43 -0.06 -0.69 0.00 0.00 0.00 174.94 174.89 1wb4 s VAL 830 N 1.34 3.35 -0.17 2.92 1.01 0.19 -4.93 120.40 124.11 1wb4 s VAL 830 Ca 0.04 -0.52 -0.25 0.00 0.00 0.00 0.00 61.98 61.25 1wb4 s VAL 830 Cb -0.14 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.73 1wb4 s VAL 830 CO -0.02 0.45 0.84 -0.75 0.00 0.00 0.00 175.10 175.62 1wb4 s LYS 831 N 1.11 4.30 0.15 2.72 2.47 -1.26 -0.73 119.74 128.50 1wb4 s LYS 831 Ca 0.01 1.03 0.10 0.00 -1.56 0.00 0.00 55.97 55.56 1wb4 s LYS 831 Cb -0.15 -3.57 -0.04 0.00 -1.46 0.00 0.00 37.83 32.61 1wb4 s LYS 831 CO -0.01 -0.33 -0.21 -1.21 0.16 0.00 0.00 175.35 173.75 1wb4 s GLU 832 N 2.15 1.63 -0.03 4.03 0.41 -0.18 -5.00 118.70 121.72 1wb4 s GLU 832 Ca 0.39 -1.35 0.03 0.00 -0.41 0.00 0.00 54.97 53.63 1wb4 s GLU 832 Cb -0.17 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.21 1wb4 s GLU 832 CO 0.12 0.44 -0.10 0.99 -0.49 0.00 0.00 175.26 176.22 1wb4 s THR 833 N -1.36 0.86 0.13 3.63 2.01 -1.26 -1.55 115.64 118.09 1wb4 s THR 833 Ca 0.19 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 61.71 1wb4 s THR 833 Cb -0.09 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 1wb4 s THR 833 CO 0.10 0.26 0.18 -0.72 -0.69 0.00 0.00 174.62 173.75 1wb4 s TYR 834 N 0.13 0.45 -0.08 4.92 1.13 -0.05 -4.99 117.35 118.86 1wb4 s TYR 834 Ca -0.02 -0.85 0.05 0.00 -1.41 0.00 0.00 57.07 54.83 1wb4 s TYR 834 Cb -0.08 -0.18 -0.00 0.00 -1.10 0.00 0.00 41.96 40.59 1wb4 s TYR 834 CO 0.01 -0.60 -0.24 0.95 -2.51 0.00 0.00 175.55 173.15 1wb4 s THR 835 N -3.96 1.99 0.00 -3.49 -4.23 -1.26 -0.93 115.64 103.77 1wb4 s THR 835 Ca 0.15 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1wb4 s THR 835 Cb 0.05 -1.71 0.00 0.00 1.34 0.00 0.00 72.50 72.18 1wb4 s THR 835 CO -0.03 0.55 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 1wb4 n GLY 836 N 3.33 4.81 0.15 3.99 0.00 -0.72 -4.96 105.19 111.79 1wb4 n GLY 836 Ca -0.19 -1.24 0.12 0.00 0.00 0.00 0.00 46.02 44.71 1wb4 n GLY 836 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1wb4 n ILE 837 N 0.00 0.85 -1.08 -0.61 -5.35 -1.26 -1.18 119.36 110.73 1wb4 n ILE 837 Ca 0.00 0.32 0.03 0.00 -0.27 0.00 0.00 62.75 62.83 1wb4 n ILE 837 Cb 0.00 -1.28 0.27 0.00 -1.74 0.00 0.00 39.64 36.89 1wb4 n ILE 837 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1wb4 n ASN 838 N -2.29 4.03 0.00 7.28 3.02 -1.26 -4.82 115.26 121.22 1wb4 n ASN 838 Ca 0.01 -3.20 0.00 0.00 -0.03 0.00 0.00 54.58 51.37 1wb4 n ASN 838 Cb 0.20 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1wb4 n ASN 838 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wb4 n GLY 839 N -0.44 -1.84 3.69 7.41 0.00 -0.32 -3.43 105.19 110.25 1wb4 n GLY 839 Ca 0.29 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.22 1wb4 n GLY 839 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wb4 s THR 840 N 0.00 4.86 0.15 2.61 2.01 -1.26 -1.75 115.64 122.26 1wb4 s THR 840 Ca 0.00 1.81 -0.05 0.00 0.31 0.00 0.00 61.69 63.76 1wb4 s THR 840 Cb 0.00 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 1wb4 s THR 840 CO 0.00 0.05 0.17 -0.54 -0.69 0.00 0.00 174.62 173.61 1wb4 s LYS 841 N 1.86 1.07 0.31 4.92 1.02 -0.11 -4.97 119.74 123.85 1wb4 s LYS 841 Ca 0.43 -1.34 0.08 0.00 0.02 0.00 0.00 55.97 55.16 1wb4 s LYS 841 Cb -0.18 0.31 -0.06 0.00 -0.52 0.00 0.00 37.83 37.38 1wb4 s LYS 841 CO 0.16 -0.35 -0.07 -1.12 -0.92 0.00 0.00 175.35 173.05 1wb4 s SER 842 N -3.03 3.18 0.20 2.83 0.01 -1.26 -0.87 113.70 114.76 1wb4 s SER 842 Ca 0.23 -1.20 -0.14 0.00 1.31 0.00 0.00 55.95 56.14 1wb4 s SER 842 Cb 0.05 -0.25 0.01 0.00 0.21 0.00 0.00 66.02 66.05 1wb4 s SER 842 CO 0.02 -0.29 0.45 -1.48 0.41 0.00 0.00 173.24 172.35 1wb4 s LEU 843 N -3.52 0.36 0.00 2.44 0.05 -0.60 -4.30 118.68 113.11 1wb4 s LEU 843 Ca 0.31 -0.68 0.04 0.00 0.05 0.00 0.00 54.13 53.85 1wb4 s LEU 843 Cb 0.03 1.82 -0.03 0.00 -2.05 0.00 0.00 46.19 45.96 1wb4 s LEU 843 CO 0.14 -1.03 -0.10 0.20 -0.55 0.00 0.00 176.35 175.01 1wb4 s ASN 844 N -2.93 4.41 -0.20 1.48 0.01 -0.81 -1.01 114.94 115.88 1wb4 s ASN 844 Ca 0.14 -0.20 -0.00 0.00 -0.71 0.00 0.00 52.86 52.09 1wb4 s ASN 844 Cb 0.00 -0.97 0.02 0.00 0.41 0.00 0.00 41.25 40.71 1wb4 s ASN 844 CO 0.01 0.29 -0.14 -0.69 -1.51 0.00 0.00 177.10 175.05 1wb4 s VAL 845 N -0.94 2.46 -0.23 1.60 1.01 0.09 -0.83 120.40 123.54 1wb4 s VAL 845 Ca 0.16 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.99 1wb4 s VAL 845 Cb -0.11 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1wb4 s VAL 845 CO 0.06 0.42 0.74 -0.47 0.00 0.00 0.00 175.10 175.85 1wb4 s TYR 846 N 1.32 3.32 -0.13 5.22 6.14 0.62 -0.64 117.35 133.20 1wb4 s TYR 846 Ca 0.03 1.02 -0.06 0.00 0.64 0.00 0.00 57.07 58.71 1wb4 s TYR 846 Cb -0.14 -2.95 -0.04 0.00 0.42 0.00 0.00 41.96 39.25 1wb4 s TYR 846 CO -0.09 -0.34 0.06 -0.51 0.64 0.00 0.00 175.55 175.32 1wb4 s LEU 847 N 2.56 3.90 0.67 6.97 1.43 0.21 -1.64 118.68 132.78 1wb4 s LEU 847 Ca 0.32 0.21 -0.15 0.00 -1.03 0.00 0.00 54.13 53.47 1wb4 s LEU 847 Cb -0.16 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1wb4 s LEU 847 CO 0.08 0.30 1.13 -2.16 0.23 0.00 0.00 176.35 175.94 1wb4 s PRO 848 N -0.41 2.69 0.22 1.29 0.04 -1.25 -2.01 135.00 135.58 1wb4 s PRO 848 Ca 0.09 1.49 -0.32 0.00 0.04 0.00 0.00 61.00 62.30 1wb4 s PRO 848 Cb -0.12 -1.93 -0.13 0.00 0.04 0.00 0.00 34.50 32.36 1wb4 s PRO 848 CO 0.02 -1.35 1.54 0.98 0.04 0.00 0.00 177.00 178.23 1wb4 n TYR 849 N -2.40 2.43 -0.87 0.56 9.36 -1.26 -1.19 117.16 123.78 1wb4 n TYR 849 Ca 0.11 0.29 0.00 0.00 3.32 0.00 0.00 57.90 61.62 1wb4 n TYR 849 Cb 0.51 -2.54 0.00 0.00 -0.63 0.00 0.00 39.34 36.68 1wb4 n TYR 849 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1wb4 n GLY 850 N 2.77 0.69 3.61 2.98 0.00 -1.26 -4.97 105.19 109.01 1wb4 n GLY 850 Ca 0.13 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.56 1wb4 n GLY 850 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wb4 n TYR 851 N -2.58 1.33 -3.93 1.61 9.36 -0.33 -4.94 117.16 117.67 1wb4 n TYR 851 Ca 0.00 0.89 -0.30 0.00 3.32 0.00 0.00 57.90 61.81 1wb4 n TYR 851 Cb 0.00 -2.24 -0.16 0.00 -0.63 0.00 0.00 39.34 36.31 1wb4 n TYR 851 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1wb4 s ASP 852 N 1.34 3.58 0.12 2.98 -1.08 -1.26 -5.01 116.67 117.33 1wb4 s ASP 852 Ca 0.94 -1.03 0.11 0.00 -0.52 0.00 0.00 52.55 52.04 1wb4 s ASP 852 Cb -1.21 -1.12 0.53 0.00 -1.46 0.00 0.00 42.92 39.66 1wb4 s ASP 852 CO 0.61 -0.21 1.34 -0.81 0.52 0.00 0.00 175.17 176.61 1wb4 n PRO 853 N 4.72 0.06 -0.06 4.34 -0.04 -1.26 -1.04 135.00 141.72 1wb4 n PRO 853 Ca -0.12 0.49 0.11 0.00 -0.04 0.00 0.00 63.50 63.94 1wb4 n PRO 853 Cb 0.45 -1.67 0.41 0.00 -0.04 0.00 0.00 33.50 32.66 1wb4 n PRO 853 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1wb4 n ASN 854 N -1.79 1.60 -4.85 3.54 2.85 -1.26 -4.75 115.26 110.59 1wb4 n ASN 854 Ca 0.00 -1.66 -0.21 0.00 -0.11 0.00 0.00 54.58 52.60 1wb4 n ASN 854 Cb 0.06 -0.08 -0.04 0.00 1.24 0.00 0.00 39.78 40.96 1wb4 n ASN 854 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1wb4 s LYS 855 N -1.84 2.65 -0.12 1.20 1.02 -0.20 -5.13 119.74 117.32 1wb4 s LYS 855 Ca 0.33 -1.38 -0.01 0.00 0.02 0.00 0.00 55.97 54.94 1wb4 s LYS 855 Cb 0.18 -2.43 -0.02 0.00 -0.52 0.00 0.00 37.83 35.03 1wb4 s LYS 855 CO 0.28 0.01 -0.09 0.15 -0.92 0.00 0.00 175.35 174.78 1wb4 s LYS 856 N -4.03 3.31 -0.01 1.68 1.02 -1.26 -4.74 119.74 115.72 1wb4 s LYS 856 Ca 0.43 -0.61 0.07 0.00 0.02 0.00 0.00 55.97 55.88 1wb4 s LYS 856 Cb -0.05 -2.69 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 1wb4 s LYS 856 CO 0.27 0.32 -0.23 0.71 -0.92 0.00 0.00 175.35 175.50 1wb4 s TYR 857 N 0.10 2.42 0.78 3.18 1.51 -0.61 -4.89 117.35 119.83 1wb4 s TYR 857 Ca -0.04 -0.36 -0.15 0.00 -1.01 0.00 0.00 57.07 55.51 1wb4 s TYR 857 Cb -0.14 -1.50 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 1wb4 s TYR 857 CO 0.04 0.06 0.81 0.09 -1.11 0.00 0.00 175.55 175.44 1wb4 n ASN 858 N 2.22 -0.25 -3.87 2.29 3.02 -1.26 -3.77 115.26 113.64 1wb4 n ASN 858 Ca -0.16 0.58 -0.16 0.00 -0.03 0.00 0.00 54.58 54.80 1wb4 n ASN 858 Cb 0.51 -1.35 -0.15 0.00 -0.61 0.00 0.00 39.78 38.19 1wb4 n ASN 858 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1wb4 s ILE 859 N -2.01 0.22 -0.15 2.41 2.07 -0.80 -1.22 121.20 121.72 1wb4 s ILE 859 Ca 0.69 -0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.91 1wb4 s ILE 859 Cb -0.31 -0.26 0.03 0.00 0.13 0.00 0.00 42.46 42.05 1wb4 s ILE 859 CO 0.55 0.12 -0.10 0.12 -1.91 0.00 0.00 174.94 173.72 1wb4 s PHE 860 N 0.55 1.96 -0.11 3.50 5.36 -0.28 -1.02 117.98 127.95 1wb4 s PHE 860 Ca -0.06 -1.15 -0.13 0.00 -0.96 0.00 0.00 56.93 54.63 1wb4 s PHE 860 Cb -0.09 -1.46 -0.05 0.00 -0.34 0.00 0.00 43.02 41.08 1wb4 s PHE 860 CO -0.01 -0.64 0.31 0.71 -1.46 0.00 0.00 175.22 174.13 1wb4 s TYR 861 N 1.55 3.56 -0.09 10.12 1.51 -0.30 -1.02 117.35 132.69 1wb4 s TYR 861 Ca 0.03 0.71 -0.02 0.00 -1.01 0.00 0.00 57.07 56.78 1wb4 s TYR 861 Cb -0.14 -2.27 0.04 0.00 -0.11 0.00 0.00 41.96 39.48 1wb4 s TYR 861 CO -0.09 0.43 0.03 -1.17 -1.11 0.00 0.00 175.55 173.64 1wb4 s LEU 862 N -0.21 0.50 -0.13 -1.29 2.96 0.28 -0.57 118.68 120.22 1wb4 s LEU 862 Ca 0.19 -0.17 -0.09 0.00 -0.22 0.00 0.00 54.13 53.83 1wb4 s LEU 862 Cb -0.14 -0.35 -0.05 0.00 0.50 0.00 0.00 46.19 46.15 1wb4 s LEU 862 CO 0.07 -0.24 0.19 -0.32 -1.32 0.00 0.00 176.35 174.73 1wb4 s MET 863 N 2.03 3.77 1.18 1.98 -2.45 0.08 -4.01 119.30 121.88 1wb4 s MET 863 Ca 0.04 -0.06 -0.18 0.00 -1.25 0.00 0.00 55.69 54.25 1wb4 s MET 863 Cb -0.13 -3.28 0.28 0.00 1.25 0.00 0.00 34.83 32.95 1wb4 s MET 863 CO -0.05 0.59 1.08 -3.38 1.05 0.00 0.00 175.02 174.31 1wb4 s HIS 864 N -0.53 0.77 0.41 4.11 -3.43 -1.26 -1.53 115.29 113.83 1wb4 s HIS 864 Ca 0.15 0.65 0.07 0.00 -0.80 0.00 0.00 55.06 55.12 1wb4 s HIS 864 Cb -0.12 -3.33 0.07 0.00 -1.43 0.00 0.00 32.58 27.76 1wb4 s HIS 864 CO 0.04 -3.80 0.56 0.41 -2.00 0.00 0.00 174.74 169.95 1wb4 n GLY 865 N -0.62 1.94 3.77 -1.38 0.00 -1.20 -2.29 105.19 105.40 1wb4 n GLY 865 Ca 0.11 -2.20 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 1wb4 n GLY 865 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wb4 s GLY 866 N -3.85 2.66 0.00 -0.02 0.00 -1.26 -2.23 107.32 102.62 1wb4 s GLY 866 Ca 0.43 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.70 1wb4 s GLY 866 CO 0.27 2.34 0.00 0.61 0.00 0.00 0.00 173.10 176.32 1wb4 n GLY 867 N 1.07 0.97 1.65 0.20 0.00 -1.26 -5.00 105.19 102.83 1wb4 n GLY 867 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1wb4 n GLY 867 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wb4 n GLU 868 N -2.02 1.07 -3.59 1.61 1.02 -0.95 -5.15 120.64 112.62 1wb4 n GLU 868 Ca 0.00 -1.45 -0.12 0.00 -0.02 0.00 0.00 57.16 55.57 1wb4 n GLU 868 Cb 0.00 0.10 -0.02 0.00 -0.02 0.00 0.00 31.44 31.50 1wb4 n GLU 868 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1wb4 n ASN 869 N -2.12 -1.36 0.16 1.62 0.23 -1.26 -4.93 115.26 107.61 1wb4 n ASN 869 Ca 0.01 -2.58 0.11 0.00 -0.53 0.00 0.00 54.58 51.59 1wb4 n ASN 869 Cb 0.27 2.45 0.57 0.00 -2.08 0.00 0.00 39.78 40.99 1wb4 n ASN 869 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1wb4 n GLU 870 N -0.49 0.15 0.01 -3.83 0.00 -1.26 -1.85 120.64 113.37 1wb4 n GLU 870 Ca -0.01 0.61 0.11 0.00 0.00 0.00 0.00 57.16 57.87 1wb4 n GLU 870 Cb 0.51 -1.95 0.04 0.00 0.00 0.00 0.00 31.44 30.04 1wb4 n GLU 870 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1wb4 n ASN 871 N -2.25 0.69 -0.06 -1.84 3.02 -1.26 -4.34 115.26 109.22 1wb4 n ASN 871 Ca -0.01 -0.47 -0.11 0.00 -0.03 0.00 0.00 54.58 53.96 1wb4 n ASN 871 Cb 0.06 0.73 -0.05 0.00 -0.61 0.00 0.00 39.78 39.91 1wb4 n ASN 871 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1wb4 h THR 872 N 0.00 1.17 0.00 3.41 2.02 -1.77 -2.26 112.91 115.47 1wb4 h THR 872 Ca 0.00 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 66.59 1wb4 h THR 872 Cb 0.59 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1wb4 h THR 872 CO 0.00 0.17 -0.32 0.40 0.37 0.00 0.00 175.52 176.13 1wb4 h ILE 873 N 0.15 1.17 -0.62 3.11 2.04 -1.82 -1.58 117.51 119.96 1wb4 h ILE 873 Ca 0.06 -1.12 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1wb4 h ILE 873 Cb 0.19 1.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1wb4 h ILE 873 CO -0.00 0.32 0.00 0.49 0.00 0.00 0.00 178.15 178.95 1wb4 n PHE 874 N -4.06 0.82 -1.98 1.37 3.72 -1.18 -2.36 117.46 113.79 1wb4 n PHE 874 Ca -0.02 -0.41 -0.29 0.00 -0.05 0.00 0.00 57.45 56.68 1wb4 n PHE 874 Cb 0.37 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 39.04 1wb4 n PHE 874 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1wb4 s SER 875 N -1.11 3.92 0.22 4.37 1.04 -0.59 -4.65 113.70 116.90 1wb4 s SER 875 Ca 0.44 0.47 0.19 0.00 0.48 0.00 0.00 55.95 57.53 1wb4 s SER 875 Cb 0.24 -0.77 0.90 0.00 0.10 0.00 0.00 66.02 66.48 1wb4 s SER 875 CO 0.31 -2.24 1.59 -3.20 0.98 0.00 0.00 173.24 170.68 1wb4 n ASN 876 N -3.45 0.48 0.05 7.02 5.15 -1.26 -0.94 115.26 122.31 1wb4 n ASN 876 Ca 0.12 0.66 0.13 0.00 -0.60 0.00 0.00 54.58 54.89 1wb4 n ASN 876 Cb 0.60 -0.75 0.51 0.00 -0.53 0.00 0.00 39.78 39.61 1wb4 n ASN 876 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 1wb4 n ASP 877 N -2.08 0.43 0.07 1.20 8.00 -1.26 -4.53 116.55 118.37 1wb4 n ASP 877 Ca 0.01 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.05 1wb4 n ASP 877 Cb 0.13 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1wb4 n ASP 877 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1wb4 n VAL 878 N -1.90 0.27 -2.80 2.53 0.31 -0.79 -4.73 118.33 111.23 1wb4 n VAL 878 Ca 0.06 0.09 -0.16 0.00 -0.01 0.00 0.00 64.34 64.32 1wb4 n VAL 878 Cb 0.39 -0.89 0.03 0.00 -0.91 0.00 0.00 33.84 32.45 1wb4 n VAL 878 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1wb4 n LYS 879 N -3.17 -3.49 0.11 5.55 5.02 -0.11 -4.89 118.16 117.17 1wb4 n LYS 879 Ca 0.00 0.64 0.06 0.00 -2.02 0.00 0.00 58.31 56.99 1wb4 n LYS 879 Cb 0.08 -4.95 0.52 0.00 -0.02 0.00 0.00 35.03 30.66 1wb4 n LYS 879 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1wb4 h LEU 880 N -1.00 0.27 -1.88 -0.35 5.85 -1.75 -1.63 115.31 114.82 1wb4 h LEU 880 Ca -0.38 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.35 1wb4 h LEU 880 Cb 1.26 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1wb4 h LEU 880 CO 0.40 0.19 0.12 0.06 -0.34 0.00 0.00 178.44 178.87 1wb4 h GLN 881 N 0.32 0.16 -0.35 1.25 -0.00 -1.90 -0.62 115.11 113.96 1wb4 h GLN 881 Ca 0.09 -0.01 -0.07 0.00 -0.00 0.00 0.00 58.65 58.66 1wb4 h GLN 881 Cb -0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.42 1wb4 h GLN 881 CO -0.02 0.11 -0.06 -0.91 -0.00 0.00 0.00 178.83 177.95 1wb4 h ASN 882 N 0.17 0.66 -0.33 0.06 2.35 -1.55 0.85 115.58 117.79 1wb4 h ASN 882 Ca 0.07 -0.35 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 1wb4 h ASN 882 Cb 0.08 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1wb4 h ASN 882 CO -0.01 0.85 0.16 0.40 -1.65 0.00 0.00 177.43 177.18 1wb4 h ILE 883 N 0.45 1.16 -0.18 2.81 2.04 -1.11 -1.33 117.51 121.35 1wb4 h ILE 883 Ca 0.09 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.53 1wb4 h ILE 883 Cb 0.55 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1wb4 h ILE 883 CO 0.03 0.16 0.02 -0.07 0.00 0.00 0.00 178.15 178.29 1wb4 h LEU 884 N 0.39 -0.02 -0.07 1.44 3.38 -1.04 -0.31 115.31 119.07 1wb4 h LEU 884 Ca 0.11 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1wb4 h LEU 884 Cb 0.11 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1wb4 h LEU 884 CO -0.01 0.02 -0.08 0.44 0.09 0.00 0.00 178.44 178.89 1wb4 h ASP 885 N 0.09 -0.24 -0.61 -0.43 3.32 -0.70 -0.63 116.42 117.21 1wb4 h ASP 885 Ca 0.08 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 1wb4 h ASP 885 Cb 0.09 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1wb4 h ASP 885 CO -0.12 -0.11 -0.00 0.45 -1.72 0.00 0.00 179.24 177.73 1wb4 h HIS 886 N -0.10 1.18 -0.70 4.55 3.86 -1.11 -0.93 115.15 121.90 1wb4 h HIS 886 Ca 0.06 -0.21 -0.07 0.00 -1.16 0.00 0.00 60.37 58.99 1wb4 h HIS 886 Cb 0.19 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 1wb4 h HIS 886 CO -0.18 1.04 0.16 0.00 0.86 0.00 0.00 177.93 179.81 1wb4 h ALA 887 N 0.99 0.96 -0.26 2.45 0.00 -0.82 -1.27 119.26 121.31 1wb4 h ALA 887 Ca 0.17 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1wb4 h ALA 887 Cb 0.57 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1wb4 h ALA 887 CO 0.03 0.67 -0.23 0.82 0.00 0.00 0.00 179.25 180.54 1wb4 h ILE 888 N 1.07 1.31 -0.84 0.00 2.04 -1.01 -1.49 117.51 118.59 1wb4 h ILE 888 Ca 0.22 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 1wb4 h ILE 888 Cb 0.38 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 1wb4 h ILE 888 CO 0.00 0.44 0.44 -0.03 0.00 0.00 0.00 178.15 179.01 1wb4 h MET 889 N 0.34 1.18 -0.00 2.37 4.05 -1.06 -2.28 114.93 119.53 1wb4 h MET 889 Ca 0.05 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.32 1wb4 h MET 889 Cb 0.79 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 1wb4 h MET 889 CO 0.06 0.88 -0.06 0.09 0.23 0.00 0.00 176.91 178.11 1wb4 n ASN 890 N -4.33 0.20 0.00 1.39 3.02 -0.49 -4.93 115.26 110.13 1wb4 n ASN 890 Ca 0.09 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 1wb4 n ASN 890 Cb 0.11 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 1wb4 n ASN 890 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wb4 n GLY 891 N 1.28 0.70 0.18 7.41 0.00 -0.86 -4.93 105.19 108.98 1wb4 n GLY 891 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.11 1wb4 n GLY 891 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wb4 h GLU 892 N 2.33 0.32 -4.44 1.61 5.08 -1.55 -3.41 114.58 114.52 1wb4 h GLU 892 Ca 0.00 -0.20 -0.52 0.00 -1.00 0.00 0.00 59.36 57.64 1wb4 h GLU 892 Cb 0.00 0.02 -0.35 0.00 0.50 0.00 0.00 28.75 28.93 1wb4 h GLU 892 CO 0.00 0.79 -0.81 -1.17 -1.00 0.00 0.00 179.01 176.82 1wb4 s LEU 893 N -8.09 1.50 0.41 1.33 2.96 -1.09 -4.75 118.68 110.96 1wb4 s LEU 893 Ca -0.05 -0.30 -0.25 0.00 -0.22 0.00 0.00 54.13 53.30 1wb4 s LEU 893 Cb 0.12 -0.83 -0.08 0.00 0.50 0.00 0.00 46.19 45.89 1wb4 s LEU 893 CO 0.80 -0.02 1.27 -1.61 -1.32 0.00 0.00 176.35 175.47 1wb4 s GLU 894 N 1.00 3.94 0.33 1.98 2.02 -1.26 -4.06 118.70 122.66 1wb4 s GLU 894 Ca -0.08 2.07 -0.29 0.00 0.02 0.00 0.00 54.97 56.69 1wb4 s GLU 894 Cb -0.15 -2.70 -0.12 0.00 0.10 0.00 0.00 34.13 31.26 1wb4 s GLU 894 CO -0.00 -0.48 1.40 -0.35 0.02 0.00 0.00 175.26 175.84 1wb4 n PRO 895 N 0.04 2.34 -3.81 0.39 -0.04 -1.26 -4.97 135.00 127.69 1wb4 n PRO 895 Ca 0.04 0.82 -0.10 0.00 -0.04 0.00 0.00 63.50 64.23 1wb4 n PRO 895 Cb 0.44 -2.48 -0.05 0.00 -0.04 0.00 0.00 33.50 31.37 1wb4 n PRO 895 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1wb4 s LEU 896 N -1.13 0.44 -0.06 1.53 2.34 -1.26 -4.45 118.68 116.09 1wb4 s LEU 896 Ca 0.57 -0.61 -0.17 0.00 0.06 0.00 0.00 54.13 53.98 1wb4 s LEU 896 Cb -0.54 1.77 -0.05 0.00 -0.56 0.00 0.00 46.19 46.81 1wb4 s LEU 896 CO 0.60 -0.98 0.47 -0.63 -1.06 0.00 0.00 176.35 174.75 1wb4 s ILE 897 N -3.90 5.09 -0.14 1.48 1.01 -0.36 -3.84 121.20 120.54 1wb4 s ILE 897 Ca 0.11 0.95 0.02 0.00 0.00 0.00 0.00 60.65 61.74 1wb4 s ILE 897 Cb 0.01 -3.80 0.01 0.00 0.01 0.00 0.00 42.46 38.69 1wb4 s ILE 897 CO -0.03 0.42 -0.20 -0.69 0.00 0.00 0.00 174.94 174.45 1wb4 s VAL 898 N -0.06 1.94 -0.13 2.92 1.01 -0.65 -1.13 120.40 124.30 1wb4 s VAL 898 Ca 0.26 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 1wb4 s VAL 898 Cb -0.16 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.47 1wb4 s VAL 898 CO 0.12 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 174.95 1wb4 s VAL 899 N 0.92 3.22 -0.50 2.92 1.01 -0.19 -0.27 120.40 127.51 1wb4 s VAL 899 Ca -0.05 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 1wb4 s VAL 899 Cb -0.15 -2.36 0.13 0.00 0.00 0.00 0.00 36.38 34.00 1wb4 s VAL 899 CO -0.03 0.52 0.29 0.42 0.00 0.00 0.00 175.10 176.30 1wb4 s THR 900 N 0.31 3.27 0.00 3.92 -4.23 -0.01 -0.55 115.64 118.35 1wb4 s THR 900 Ca -0.09 -2.61 0.00 0.00 -1.18 0.00 0.00 61.69 57.81 1wb4 s THR 900 Cb -0.15 -3.21 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1wb4 s THR 900 CO 0.05 -0.77 0.00 -0.81 -0.54 0.00 0.00 174.62 172.55 1wb4 n PRO 901 N 3.93 0.98 -3.95 3.99 -0.04 -1.26 -1.93 135.00 136.73 1wb4 n PRO 901 Ca 0.03 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 1wb4 n PRO 901 Cb 0.39 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.73 1wb4 n PRO 901 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1wb4 s THR 902 N 0.27 0.08 -2.24 0.52 -1.32 -1.26 -4.13 115.64 107.56 1wb4 s THR 902 Ca 0.00 -0.68 0.19 0.00 -1.21 0.00 0.00 61.69 59.99 1wb4 s THR 902 Cb 0.00 -0.21 0.43 0.00 -1.51 0.00 0.00 72.50 71.21 1wb4 s THR 902 CO 0.00 -0.37 1.45 2.22 -2.21 0.00 0.00 174.62 175.71 1wb4 n PHE 903 N 1.94 0.38 -1.94 9.09 1.16 -1.26 -4.92 117.46 121.91 1wb4 n PHE 903 Ca -0.21 -0.19 -0.30 0.00 -1.87 0.00 0.00 57.45 54.87 1wb4 n PHE 903 Cb 0.56 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.45 1wb4 n PHE 903 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1wb4 s ASN 904 N -1.38 5.93 0.00 5.98 0.01 -1.26 -3.28 114.94 120.94 1wb4 s ASN 904 Ca 0.33 1.26 0.00 0.00 -0.71 0.00 0.00 52.86 53.74 1wb4 s ASN 904 Cb 0.18 -2.23 0.00 0.00 0.41 0.00 0.00 41.25 39.61 1wb4 s ASN 904 CO 0.26 -1.03 0.00 0.61 -1.51 0.00 0.00 177.10 175.43 1wb4 n GLY 905 N -2.80 2.15 7.00 0.66 0.00 -1.26 -4.76 105.19 106.18 1wb4 n GLY 905 Ca 0.06 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1wb4 n GLY 905 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wb4 n GLY 906 N 1.96 3.30 0.58 -0.02 0.00 -1.22 -0.67 105.19 109.11 1wb4 n GLY 906 Ca 0.00 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.01 1wb4 n GLY 906 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wb4 n ASN 907 N 3.70 1.73 -4.79 1.61 4.13 -1.26 -4.97 115.26 115.41 1wb4 n ASN 907 Ca 0.00 -1.77 -0.35 0.00 1.68 0.00 0.00 54.58 54.14 1wb4 n ASN 907 Cb 0.00 -0.13 -0.04 0.00 -1.54 0.00 0.00 39.78 38.06 1wb4 n ASN 907 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wb4 s THR 909 N -1.81 0.19 0.37 0.00 -4.23 -1.20 -4.50 115.64 104.44 1wb4 s THR 909 Ca 0.60 -1.96 0.06 0.00 -1.18 0.00 0.00 61.69 59.21 1wb4 s THR 909 Cb -0.18 -2.28 0.29 0.00 1.34 0.00 0.00 72.50 71.66 1wb4 s THR 909 CO 0.23 -0.25 1.98 0.00 -0.54 0.00 0.00 174.62 176.04 1wb4 h ALA 910 N 2.70 1.71 -0.17 3.99 0.00 -1.91 -1.55 119.26 124.03 1wb4 h ALA 910 Ca -0.36 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1wb4 h ALA 910 Cb 1.22 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1wb4 h ALA 910 CO 0.58 0.20 -0.23 0.37 0.00 0.00 0.00 179.25 180.16 1wb4 h GLN 911 N 0.72 0.46 -0.06 0.00 4.15 -1.91 -3.33 115.11 115.15 1wb4 h GLN 911 Ca 0.28 -0.27 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1wb4 h GLN 911 Cb 0.20 0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.91 1wb4 h GLN 911 CO -0.09 0.85 0.00 0.27 -1.93 0.00 0.00 178.83 177.93 1wb4 n ASN 912 N -4.44 2.38 0.13 -0.69 0.23 -1.03 -4.47 115.26 107.36 1wb4 n ASN 912 Ca -0.06 -1.79 0.11 0.00 -0.53 0.00 0.00 54.58 52.31 1wb4 n ASN 912 Cb 0.43 -0.02 0.61 0.00 -2.08 0.00 0.00 39.78 38.71 1wb4 n ASN 912 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1wb4 h PHE 913 N 3.64 0.12 -0.87 -2.53 3.57 -1.42 -1.63 116.94 117.83 1wb4 h PHE 913 Ca 0.00 0.00 0.23 0.00 3.53 0.00 0.00 57.97 61.73 1wb4 h PHE 913 Cb 0.78 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.43 1wb4 h PHE 913 CO 0.02 0.07 0.60 0.10 -2.23 0.00 0.00 178.31 176.87 1wb4 h TYR 914 N 0.12 0.23 -0.18 0.41 -0.00 -1.86 -0.22 116.97 115.47 1wb4 h TYR 914 Ca 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 58.73 58.83 1wb4 h TYR 914 Cb 0.29 -0.07 -0.01 0.00 0.00 0.00 0.00 36.73 36.94 1wb4 h TYR 914 CO -0.00 0.06 0.04 0.37 -0.00 0.00 0.00 178.16 178.62 1wb4 h GLN 915 N 0.17 0.29 -0.68 0.10 5.75 -1.65 -1.39 115.11 117.70 1wb4 h GLN 915 Ca 0.43 -0.08 -0.03 0.00 -0.15 0.00 0.00 58.65 58.83 1wb4 h GLN 915 Cb 1.43 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.91 1wb4 h GLN 915 CO -0.08 0.45 0.31 1.49 -2.65 0.00 0.00 178.83 178.35 1wb4 h GLU 916 N 0.09 0.98 -0.15 1.69 4.81 -1.46 -1.99 114.58 118.55 1wb4 h GLU 916 Ca 0.06 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1wb4 h GLU 916 Cb 0.29 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1wb4 h GLU 916 CO 0.00 0.76 -0.10 0.35 -0.73 0.00 0.00 179.01 179.29 1wb4 h PHE 917 N 0.97 -0.26 -0.13 0.92 3.57 -0.86 0.95 116.94 122.10 1wb4 h PHE 917 Ca 0.24 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1wb4 h PHE 917 Cb 0.12 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 1wb4 h PHE 917 CO 0.01 -0.16 0.04 0.00 -2.23 0.00 0.00 178.31 175.97 1wb4 h ARG 918 N -0.11 0.21 0.07 1.11 3.08 -1.09 -1.93 114.38 115.72 1wb4 h ARG 918 Ca 0.09 -0.04 -0.28 0.00 0.07 0.00 0.00 59.98 59.82 1wb4 h ARG 918 Cb 0.25 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1wb4 h ARG 918 CO -0.22 0.34 -1.40 1.96 -1.07 0.00 0.00 179.97 179.59 1wb4 h GLN 919 N 0.03 0.15 0.00 0.04 4.20 -1.26 -3.42 115.11 114.85 1wb4 h GLN 919 Ca 0.04 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.49 1wb4 h GLN 919 Cb 0.22 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1wb4 h GLN 919 CO -0.00 0.99 -1.04 0.09 -0.67 0.00 0.00 178.83 178.20 1wb4 n ASN 920 N -3.37 0.34 -0.01 1.46 5.03 0.23 -4.65 115.26 114.28 1wb4 n ASN 920 Ca -0.12 0.01 -0.13 0.00 0.87 0.00 0.00 54.58 55.21 1wb4 n ASN 920 Cb 1.02 -0.02 -0.10 0.00 -1.02 0.00 0.00 39.78 39.66 1wb4 n ASN 920 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1wb4 h VAL 921 N -0.02 1.38 0.27 2.41 2.07 -1.20 -1.49 116.25 119.67 1wb4 h VAL 921 Ca -0.02 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.31 1wb4 h VAL 921 Cb 1.02 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1wb4 h VAL 921 CO -0.01 0.30 -0.15 0.40 0.02 0.00 0.00 177.57 178.14 1wb4 h ILE 922 N -0.52 0.69 -0.65 4.57 2.04 -1.60 -0.82 117.51 121.22 1wb4 h ILE 922 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1wb4 h ILE 922 Cb 0.51 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 1wb4 h ILE 922 CO 0.00 0.00 0.36 -0.65 0.00 0.00 0.00 178.15 177.86 1wb4 h PRO 923 N -0.39 0.89 0.26 2.37 0.11 -1.81 0.31 132.00 133.75 1wb4 h PRO 923 Ca -0.03 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 1wb4 h PRO 923 Cb 0.31 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1wb4 h PRO 923 CO 0.05 0.65 -0.13 0.35 -0.21 0.00 0.00 178.00 178.72 1wb4 h PHE 924 N 0.90 -0.33 -0.18 0.65 3.57 -0.97 -2.21 116.94 118.38 1wb4 h PHE 924 Ca 0.23 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1wb4 h PHE 924 Cb 0.02 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1wb4 h PHE 924 CO 0.01 -0.04 -0.06 0.28 -2.23 0.00 0.00 178.31 176.26 1wb4 h VAL 925 N -0.59 1.30 -0.00 1.41 2.07 -1.02 -3.16 116.25 116.25 1wb4 h VAL 925 Ca -0.04 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1wb4 h VAL 925 Cb 0.43 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1wb4 h VAL 925 CO 0.06 0.32 -0.17 -0.62 0.02 0.00 0.00 177.57 177.18 1wb4 n GLU 926 N -4.63 0.51 0.10 1.57 1.02 0.09 -1.46 120.64 117.83 1wb4 n GLU 926 Ca -0.05 -0.19 0.00 0.00 -0.02 0.00 0.00 57.16 56.90 1wb4 n GLU 926 Cb 0.29 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 1wb4 n GLU 926 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wb4 h SER 927 N 0.47 0.00 0.17 1.62 4.64 -1.43 -3.38 113.55 115.64 1wb4 h SER 927 Ca 0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1wb4 h SER 927 Cb 0.41 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1wb4 h SER 927 CO 0.00 0.61 -1.87 0.50 -0.87 0.00 0.00 176.83 175.20 1wb4 h LYS 928 N 0.00 0.33 -6.26 4.77 3.64 -1.41 -3.48 116.57 114.15 1wb4 h LYS 928 Ca -0.04 -0.56 -0.60 0.00 -1.27 0.00 0.00 60.65 58.18 1wb4 h LYS 928 Cb 1.50 0.21 -0.13 0.00 -0.41 0.00 0.00 32.23 33.40 1wb4 h LYS 928 CO 0.07 1.26 -0.73 0.71 -2.27 0.00 0.00 179.45 178.49 1wb4 s TYR 929 N -2.57 2.44 -0.62 1.91 2.02 -0.54 -5.09 117.35 114.91 1wb4 s TYR 929 Ca -0.19 -0.29 -0.19 0.00 -0.37 0.00 0.00 57.07 56.03 1wb4 s TYR 929 Cb 0.06 -1.09 0.11 0.00 -0.40 0.00 0.00 41.96 40.64 1wb4 s TYR 929 CO 0.81 0.65 0.74 -1.12 -1.57 0.00 0.00 175.55 175.07 1wb4 s SER 930 N -3.43 6.21 0.00 2.29 0.01 -1.26 -4.59 113.70 112.93 1wb4 s SER 930 Ca 0.29 -1.46 0.00 0.00 1.31 0.00 0.00 55.95 56.09 1wb4 s SER 930 Cb -0.06 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.86 1wb4 s SER 930 CO 0.16 -1.12 0.00 0.35 0.41 0.00 0.00 173.24 173.04 1wb4 n THR 931 N 5.53 0.00 1.38 1.44 -2.24 -1.26 -1.58 114.28 117.55 1wb4 n THR 931 Ca -0.07 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.85 1wb4 n THR 931 Cb 0.43 -0.66 0.74 0.00 -2.10 0.00 0.00 70.33 68.74 1wb4 n THR 931 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1wb4 n TYR 932 N -0.47 0.00 -2.18 4.78 4.02 -1.25 -4.35 117.16 117.70 1wb4 n TYR 932 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.46 1wb4 n TYR 932 Cb 0.00 -0.30 -0.02 0.00 -0.02 0.00 0.00 39.34 38.99 1wb4 n TYR 932 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wb4 s ALA 933 N -2.61 3.27 0.27 -0.72 0.00 -1.26 -4.73 121.76 115.98 1wb4 s ALA 933 Ca 0.27 0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.67 1wb4 s ALA 933 Cb 0.20 -3.84 0.34 0.00 0.00 0.00 0.00 23.12 19.82 1wb4 s ALA 933 CO 0.46 -1.95 1.61 0.93 0.00 0.00 0.00 175.76 176.81 1wb4 h GLU 934 N 10.50 0.12 -4.41 0.00 4.39 -1.86 -3.45 114.58 119.86 1wb4 h GLU 934 Ca -0.32 -0.08 -0.22 0.00 0.34 0.00 0.00 59.36 59.08 1wb4 h GLU 934 Cb 1.14 0.01 -0.13 0.00 -0.10 0.00 0.00 28.75 29.67 1wb4 h GLU 934 CO 1.01 0.66 -0.50 -1.54 -1.16 0.00 0.00 179.01 177.49 1wb4 s SER 935 N -6.88 0.24 -0.27 1.42 1.04 -1.26 -5.07 113.70 102.93 1wb4 s SER 935 Ca -0.03 -1.33 0.11 0.00 0.48 0.00 0.00 55.95 55.18 1wb4 s SER 935 Cb 0.13 0.44 0.51 0.00 0.10 0.00 0.00 66.02 67.20 1wb4 s SER 935 CO 0.78 -0.93 1.46 0.35 0.98 0.00 0.00 173.24 175.87 1wb4 n THR 936 N -0.33 2.50 -1.13 2.02 -2.24 -1.26 -3.68 114.28 110.15 1wb4 n THR 936 Ca 0.02 -2.56 -0.31 0.00 -2.27 0.00 0.00 64.05 58.94 1wb4 n THR 936 Cb 0.65 -0.31 0.12 0.00 -2.10 0.00 0.00 70.33 68.69 1wb4 n THR 936 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wb4 s THR 937 N -3.16 2.88 0.29 4.28 -4.23 -1.26 -4.76 115.64 109.68 1wb4 s THR 937 Ca 0.44 0.29 0.04 0.00 -1.18 0.00 0.00 61.69 61.27 1wb4 s THR 937 Cb 0.39 -2.69 0.28 0.00 1.34 0.00 0.00 72.50 71.83 1wb4 s THR 937 CO 0.02 -0.37 1.73 -0.65 -0.54 0.00 0.00 174.62 174.80 1wb4 h PRO 938 N -1.43 0.51 -0.59 3.99 0.11 -1.98 -0.46 132.00 132.16 1wb4 h PRO 938 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1wb4 h PRO 938 Cb 1.26 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1wb4 h PRO 938 CO 0.51 0.34 0.29 0.37 -0.21 0.00 0.00 178.00 179.30 1wb4 h GLN 939 N 0.52 0.84 -0.31 1.05 4.15 -1.94 -0.22 115.11 119.21 1wb4 h GLN 939 Ca 0.55 -0.12 -0.09 0.00 0.77 0.00 0.00 58.65 59.76 1wb4 h GLN 939 Cb 0.97 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.49 1wb4 h GLN 939 CO -0.46 0.67 -0.20 0.78 -1.93 0.00 0.00 178.83 177.69 1wb4 h GLY 940 N 0.80 0.63 0.62 2.39 0.00 -1.45 -0.75 103.07 105.31 1wb4 h GLY 940 Ca 0.20 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 1wb4 h GLY 940 CO -0.03 0.45 -0.07 -2.22 0.00 0.00 0.00 176.54 174.67 1wb4 h ILE 941 N 0.52 1.37 -0.56 2.60 2.04 -0.99 -3.14 117.51 119.35 1wb4 h ILE 941 Ca 0.08 -1.23 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 1wb4 h ILE 941 Cb 0.64 2.04 -0.03 0.00 -0.74 0.00 0.00 36.82 38.73 1wb4 h ILE 941 CO 0.05 0.34 0.25 0.00 0.00 0.00 0.00 178.15 178.79 1wb4 h ALA 942 N 0.55 1.39 0.00 1.87 0.00 -0.92 -2.02 119.26 120.13 1wb4 h ALA 942 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1wb4 h ALA 942 Cb 0.59 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1wb4 h ALA 942 CO 0.02 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.74 1wb4 n ALA 943 N -2.45 1.58 -0.39 0.00 0.00 -0.30 -2.57 120.51 116.39 1wb4 n ALA 943 Ca 0.05 0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.65 1wb4 n ALA 943 Cb 0.14 -1.39 0.16 0.00 0.00 0.00 0.00 19.45 18.36 1wb4 n ALA 943 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wb4 n SER 944 N -2.28 3.01 0.27 0.00 3.41 -0.78 -4.76 113.62 112.49 1wb4 n SER 944 Ca 0.02 -2.29 0.12 0.00 -0.26 0.00 0.00 58.87 56.45 1wb4 n SER 944 Cb 0.21 -0.29 0.76 0.00 -0.26 0.00 0.00 64.21 64.64 1wb4 n SER 944 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1wb4 h ARG 945 N 1.62 0.00 0.00 4.33 0.11 -1.33 -1.47 114.38 117.65 1wb4 h ARG 945 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1wb4 h ARG 945 Cb 0.88 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.96 1wb4 h ARG 945 CO 0.05 0.06 0.00 -1.33 0.10 0.00 0.00 179.97 178.85 1wb4 n MET 946 N -3.97 0.08 -0.36 0.08 2.81 -1.26 -2.33 117.12 112.17 1wb4 n MET 946 Ca -0.03 0.23 0.07 0.00 -1.81 0.00 0.00 57.70 56.17 1wb4 n MET 946 Cb 0.15 -1.50 0.18 0.00 -0.71 0.00 0.00 33.22 31.34 1wb4 n MET 946 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1wb4 n HIS 947 N -1.41 0.17 -4.31 2.03 8.25 -0.55 -4.73 115.22 114.67 1wb4 n HIS 947 Ca 0.04 -1.23 -0.21 0.00 -0.26 0.00 0.00 57.72 56.07 1wb4 n HIS 947 Cb 0.13 -0.23 -0.16 0.00 1.12 0.00 0.00 29.99 30.85 1wb4 n HIS 947 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1wb4 s ARG 948 N -3.04 1.01 0.14 -0.41 3.52 -1.05 -1.91 118.95 117.21 1wb4 s ARG 948 Ca 0.36 -0.22 0.03 0.00 -0.13 0.00 0.00 55.73 55.77 1wb4 s ARG 948 Cb 0.33 -0.94 -0.04 0.00 -1.56 0.00 0.00 34.95 32.73 1wb4 s ARG 948 CO -0.01 0.01 -0.07 0.20 -0.81 0.00 0.00 175.30 174.62 1wb4 s GLY 949 N 0.61 1.02 -0.01 8.12 0.00 -0.19 -2.33 107.32 114.55 1wb4 s GLY 949 Ca -0.09 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.15 1wb4 s GLY 949 CO 0.01 -1.55 0.01 -0.12 0.00 0.00 0.00 173.10 171.46 1wb4 s PHE 950 N -3.46 0.02 0.36 1.90 2.19 -0.25 -1.15 117.98 117.59 1wb4 s PHE 950 Ca 0.17 0.06 -0.04 0.00 0.33 0.00 0.00 56.93 57.45 1wb4 s PHE 950 Cb 0.04 -0.12 0.01 0.00 -1.31 0.00 0.00 43.02 41.64 1wb4 s PHE 950 CO -0.00 -0.05 0.52 0.20 1.83 0.00 0.00 175.22 177.73 1wb4 s GLY 951 N 0.54 1.40 0.00 13.12 0.00 0.27 -0.66 107.32 121.99 1wb4 s GLY 951 Ca -0.05 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.22 1wb4 s GLY 951 CO -0.01 -0.92 0.00 0.61 0.00 0.00 0.00 173.10 172.77 1wb4 n GLY 952 N -0.58 1.42 3.46 0.20 0.00 -0.94 -0.74 105.19 108.01 1wb4 n GLY 952 Ca -0.00 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 1wb4 n GLY 952 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wb4 s PHE 953 N -2.00 2.90 0.00 1.61 5.36 -0.58 -0.92 117.98 124.35 1wb4 s PHE 953 Ca 0.00 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 55.59 1wb4 s PHE 953 Cb 0.00 -1.85 0.00 0.00 -0.34 0.00 0.00 43.02 40.83 1wb4 s PHE 953 CO 0.00 -0.04 0.00 0.00 -1.46 0.00 0.00 175.22 173.72 1wb4 n ALA 954 N 3.24 0.00 0.28 11.12 0.00 -0.16 -0.40 120.51 134.59 1wb4 n ALA 954 Ca -0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.39 1wb4 n ALA 954 Cb 0.53 0.00 0.82 0.00 0.00 0.00 0.00 19.45 20.80 1wb4 n ALA 954 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1wb4 h MET 955 N 0.00 0.00 0.00 0.00 2.86 -1.84 0.13 114.93 116.08 1wb4 h MET 955 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1wb4 h MET 955 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 1wb4 h MET 955 CO 0.00 0.01 -0.07 0.78 1.06 0.00 0.00 176.91 178.70 1wb4 h GLY 956 N 0.06 0.00 0.84 8.32 0.00 -0.30 -0.99 103.07 111.00 1wb4 h GLY 956 Ca -0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1wb4 h GLY 956 CO 0.00 0.00 -0.17 -1.33 0.00 0.00 0.00 176.54 175.05 1wb4 h GLY 957 N 2.41 0.55 0.53 4.60 0.00 -0.58 -1.56 103.07 109.03 1wb4 h GLY 957 Ca -0.00 -0.53 0.07 0.00 0.00 0.00 0.00 47.33 46.87 1wb4 h GLY 957 CO 0.01 0.48 0.23 -2.00 0.00 0.00 0.00 176.54 175.26 1wb4 h LEU 958 N 0.20 0.27 -0.73 3.11 7.12 -0.97 -1.84 115.31 122.48 1wb4 h LEU 958 Ca 0.04 0.06 0.11 0.00 0.13 0.00 0.00 57.88 58.22 1wb4 h LEU 958 Cb 0.69 0.02 -0.08 0.00 -0.53 0.00 0.00 40.66 40.76 1wb4 h LEU 958 CO 0.04 0.18 0.35 0.74 -0.13 0.00 0.00 178.44 179.62 1wb4 h THR 959 N 0.43 0.79 -0.44 1.05 2.02 -1.06 -1.93 112.91 113.77 1wb4 h THR 959 Ca 0.27 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.30 1wb4 h THR 959 Cb 0.27 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 1wb4 h THR 959 CO -0.24 0.10 0.20 0.74 0.37 0.00 0.00 175.52 176.69 1wb4 h THR 960 N 0.56 0.93 -0.74 3.16 2.02 -0.51 0.82 112.91 119.15 1wb4 h THR 960 Ca 0.37 -0.14 -0.05 0.00 0.77 0.00 0.00 66.41 67.37 1wb4 h THR 960 Cb 0.45 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1wb4 h THR 960 CO -0.31 0.07 0.27 -0.50 0.37 0.00 0.00 175.52 175.42 1wb4 h TRP 961 N 0.39 1.14 -0.18 3.16 4.06 -0.69 0.27 115.95 124.11 1wb4 h TRP 961 Ca 0.20 -0.09 -0.11 0.00 2.06 0.00 0.00 58.89 60.94 1wb4 h TRP 961 Cb 0.14 -0.34 -0.01 0.00 -1.00 0.00 0.00 29.16 27.95 1wb4 h TRP 961 CO -0.12 0.88 -0.37 1.88 -3.56 0.00 0.00 178.44 177.15 1wb4 h TYR 962 N 1.08 0.44 -0.46 0.49 -1.99 -0.89 -1.62 116.97 114.02 1wb4 h TYR 962 Ca 0.24 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.85 1wb4 h TYR 962 Cb 0.24 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 1wb4 h TYR 962 CO 0.02 0.70 0.26 0.28 -0.00 0.00 0.00 178.16 179.42 1wb4 h VAL 963 N 0.32 1.16 0.16 -2.88 2.07 -0.54 -2.26 116.25 114.27 1wb4 h VAL 963 Ca 0.03 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1wb4 h VAL 963 Cb 0.80 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1wb4 h VAL 963 CO 0.06 0.17 -0.13 -0.03 0.02 0.00 0.00 177.57 177.66 1wb4 h MET 964 N 0.60 -0.30 0.00 1.57 1.85 -0.57 0.27 114.93 118.36 1wb4 h MET 964 Ca 0.16 0.02 -0.05 0.00 -0.61 0.00 0.00 59.70 59.22 1wb4 h MET 964 Cb 0.04 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 1wb4 h MET 964 CO -0.03 -0.20 -0.25 -0.39 -0.40 0.00 0.00 176.91 175.65 1wb4 h VAL 965 N -0.31 0.74 -0.01 -5.77 -1.51 -1.26 -3.07 116.25 105.06 1wb4 h VAL 965 Ca -0.00 -1.05 0.00 0.00 -1.23 0.00 0.00 66.70 64.42 1wb4 h VAL 965 Cb 0.28 1.66 0.00 0.00 -2.13 0.00 0.00 31.29 31.10 1wb4 h VAL 965 CO -0.02 0.24 -0.52 0.59 -1.23 0.00 0.00 177.57 176.63 1wb4 n ASN 966 N -3.60 1.53 -1.22 4.19 3.02 -0.86 -4.66 115.26 113.66 1wb4 n ASN 966 Ca -0.01 -1.26 0.03 0.00 -0.03 0.00 0.00 54.58 53.31 1wb4 n ASN 966 Cb 0.38 0.62 0.02 0.00 -0.61 0.00 0.00 39.78 40.20 1wb4 n ASN 966 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wb4 h LEU 968 N 0.76 0.00 -1.86 0.00 3.38 -1.70 -0.89 115.31 115.00 1wb4 h LEU 968 Ca -0.17 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 1wb4 h LEU 968 Cb 1.74 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.49 1wb4 h LEU 968 CO 0.07 0.00 -0.10 -2.24 0.09 0.00 0.00 178.44 176.26 1wb4 h ASP 969 N 0.00 0.00 0.00 -0.43 2.03 -1.91 -3.22 116.42 112.89 1wb4 h ASP 969 Ca 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.33 1wb4 h ASP 969 Cb 0.11 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.61 1wb4 h ASP 969 CO -0.00 0.10 -1.70 -1.22 -1.03 0.00 0.00 179.24 175.40 1wb4 n TYR 970 N -4.27 0.00 -4.02 4.15 4.01 -0.45 -4.33 117.16 112.26 1wb4 n TYR 970 Ca -0.03 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.54 1wb4 n TYR 970 Cb 0.18 -0.35 -0.16 0.00 -0.31 0.00 0.00 39.34 38.70 1wb4 n TYR 970 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1wb4 s VAL 971 N -3.09 0.27 -0.08 -0.72 1.01 -0.58 -4.35 120.40 112.86 1wb4 s VAL 971 Ca -0.05 -0.02 0.14 0.00 0.00 0.00 0.00 61.98 62.04 1wb4 s VAL 971 Cb 0.10 -0.32 -0.20 0.00 0.00 0.00 0.00 36.38 35.96 1wb4 s VAL 971 CO 0.67 0.14 0.18 0.00 0.00 0.00 0.00 175.10 176.09 1wb4 n ALA 972 N 3.81 2.09 -3.13 5.51 0.00 -0.98 -4.47 120.51 123.34 1wb4 n ALA 972 Ca -0.23 -0.65 -0.32 0.00 0.00 0.00 0.00 53.44 52.24 1wb4 n ALA 972 Cb 0.53 -0.27 -0.17 0.00 0.00 0.00 0.00 19.45 19.54 1wb4 n ALA 972 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1wb4 s TYR 973 N -2.68 2.58 -0.05 0.00 1.51 -1.16 -0.89 117.35 116.66 1wb4 s TYR 973 Ca -0.06 -0.94 0.03 0.00 -1.01 0.00 0.00 57.07 55.09 1wb4 s TYR 973 Cb 0.07 -1.71 0.01 0.00 -0.11 0.00 0.00 41.96 40.21 1wb4 s TYR 973 CO 0.60 -0.36 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.48 1wb4 s PHE 974 N 0.26 1.54 -0.55 2.71 0.08 -0.17 -1.09 117.98 120.76 1wb4 s PHE 974 Ca -0.16 -0.51 0.06 0.00 0.12 0.00 0.00 56.93 56.45 1wb4 s PHE 974 Cb -0.17 -1.08 0.21 0.00 -0.57 0.00 0.00 43.02 41.41 1wb4 s PHE 974 CO 0.08 -0.22 0.55 -0.12 -0.10 0.00 0.00 175.22 175.41 1wb4 n MET 975 N 3.48 1.46 -2.49 0.44 1.56 0.16 -1.06 117.12 120.69 1wb4 n MET 975 Ca -0.20 -3.98 -0.42 0.00 -0.27 0.00 0.00 57.70 52.82 1wb4 n MET 975 Cb 0.53 -1.90 -0.03 0.00 2.15 0.00 0.00 33.22 33.97 1wb4 n MET 975 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1wb4 s PRO 976 N -1.42 4.39 -0.22 2.12 0.04 -1.25 -2.22 135.00 136.45 1wb4 s PRO 976 Ca 0.34 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1wb4 s PRO 976 Cb 0.08 -3.50 0.03 0.00 0.04 0.00 0.00 34.50 31.16 1wb4 s PRO 976 CO -0.11 -0.36 -0.13 -0.51 0.04 0.00 0.00 177.00 175.93 1wb4 s LEU 977 N 1.81 2.78 -1.39 -3.56 1.43 -0.10 -1.90 118.68 117.75 1wb4 s LEU 977 Ca 0.56 -0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1wb4 s LEU 977 Cb -0.25 -1.56 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1wb4 s LEU 977 CO 0.24 -0.08 0.50 -1.20 0.23 0.00 0.00 176.35 176.04 1wb4 n SER 978 N 4.60 -0.66 -3.59 2.29 7.64 -0.08 -0.98 113.62 122.83 1wb4 n SER 978 Ca -0.18 -0.96 -0.15 0.00 1.01 0.00 0.00 58.87 58.60 1wb4 n SER 978 Cb 0.47 -3.30 -0.07 0.00 -1.01 0.00 0.00 64.21 60.31 1wb4 n SER 978 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wb4 s GLY 979 N -4.32 -0.49 0.46 0.23 0.00 -1.26 -2.98 107.32 98.96 1wb4 s GLY 979 Ca 0.04 1.87 0.08 0.00 0.00 0.00 0.00 44.72 46.70 1wb4 s GLY 979 CO 0.87 1.44 0.51 0.51 0.00 0.00 0.00 173.10 176.43 1wb4 s ASP 980 N -0.27 5.19 -0.45 1.64 -4.77 -1.26 -4.62 116.67 112.13 1wb4 s ASP 980 Ca -0.03 -0.72 -0.23 0.00 -3.30 0.00 0.00 52.55 48.27 1wb4 s ASP 980 Cb -0.03 -0.34 0.03 0.00 -1.09 0.00 0.00 42.92 41.48 1wb4 s ASP 980 CO 0.03 -0.85 0.76 -0.47 0.70 0.00 0.00 175.17 175.34 1wb4 s TYR 981 N -2.50 3.00 -1.26 2.11 5.04 -1.26 -4.18 117.35 118.29 1wb4 s TYR 981 Ca 0.51 0.11 -0.15 0.00 -2.44 0.00 0.00 57.07 55.10 1wb4 s TYR 981 Cb -0.05 -3.61 0.13 0.00 0.35 0.00 0.00 41.96 38.78 1wb4 s TYR 981 CO 0.30 -0.97 1.63 0.91 -1.34 0.00 0.00 175.55 176.09 1wb4 n TRP 982 N 6.64 4.57 -3.23 4.97 7.02 -1.26 -4.73 117.44 131.42 1wb4 n TRP 982 Ca 0.01 -3.11 -0.04 0.00 -1.02 0.00 0.00 57.50 53.35 1wb4 n TRP 982 Cb 0.48 -2.34 -0.03 0.00 -2.42 0.00 0.00 31.31 27.01 1wb4 n TRP 982 CO 0.00 0.00 0.00 -0.47 -2.02 0.00 0.00 177.69 175.20 1wb4 s TYR 983 N 2.42 -1.33 0.00 -5.99 5.04 -1.26 -5.12 117.35 111.11 1wb4 s TYR 983 Ca 0.46 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 55.00 1wb4 s TYR 983 Cb 0.02 0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.45 1wb4 s TYR 983 CO 0.02 -1.13 0.00 0.41 -1.34 0.00 0.00 175.55 173.52 1wb4 n GLY 984 N 4.28 4.55 0.38 8.97 0.00 -1.26 -3.75 105.19 118.36 1wb4 n GLY 984 Ca 0.12 -1.30 0.13 0.00 0.00 0.00 0.00 46.02 44.97 1wb4 n GLY 984 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wb4 n ASN 985 N 0.00 1.40 -3.94 1.61 3.02 -1.26 -4.87 115.26 111.22 1wb4 n ASN 985 Ca 0.00 -1.19 -0.09 0.00 -0.03 0.00 0.00 54.58 53.26 1wb4 n ASN 985 Cb 0.00 0.14 -0.07 0.00 -0.61 0.00 0.00 39.78 39.24 1wb4 n ASN 985 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wb4 s SER 986 N -2.35 0.05 0.41 6.41 1.04 -1.26 -5.02 113.70 112.99 1wb4 s SER 986 Ca 0.27 -0.82 0.08 0.00 0.48 0.00 0.00 55.95 55.96 1wb4 s SER 986 Cb 0.20 0.42 0.87 0.00 0.10 0.00 0.00 66.02 67.60 1wb4 s SER 986 CO 0.47 -0.86 2.02 -0.65 0.98 0.00 0.00 173.24 175.20 1wb4 h PRO 987 N 2.58 0.42 -0.60 4.02 0.11 -1.91 -2.10 132.00 134.51 1wb4 h PRO 987 Ca -0.32 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.67 1wb4 h PRO 987 Cb 1.22 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1wb4 h PRO 987 CO 0.50 0.34 0.08 1.96 -0.21 0.00 0.00 178.00 180.67 1wb4 h GLN 988 N 0.42 0.99 -0.74 1.05 7.50 -1.95 -0.71 115.11 121.68 1wb4 h GLN 988 Ca 0.11 -0.26 -0.01 0.00 0.50 0.00 0.00 58.65 58.99 1wb4 h GLN 988 Cb 0.07 -0.12 -0.04 0.00 0.05 0.00 0.00 27.48 27.45 1wb4 h GLN 988 CO -0.01 0.93 0.42 -0.44 -1.50 0.00 0.00 178.83 178.23 1wb4 h ASP 989 N 0.93 0.90 0.01 1.46 3.32 -1.74 0.11 116.42 121.42 1wb4 h ASP 989 Ca 0.18 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1wb4 h ASP 989 Cb 0.43 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1wb4 h ASP 989 CO 0.01 0.72 -0.01 0.11 -1.72 0.00 0.00 179.24 178.36 1wb4 h LYS 990 N 1.01 -0.01 -1.01 3.56 1.57 -1.09 -1.44 116.57 119.15 1wb4 h LYS 990 Ca 0.26 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 1wb4 h LYS 990 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1wb4 h LYS 990 CO -0.05 0.16 0.67 0.00 -0.57 0.00 0.00 179.45 179.66 1wb4 h ALA 991 N 0.80 1.29 -0.22 3.86 0.00 -0.96 -2.24 119.26 121.79 1wb4 h ALA 991 Ca -0.00 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 1wb4 h ALA 991 Cb 0.18 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1wb4 h ALA 991 CO 0.00 0.65 -0.38 -0.91 0.00 0.00 0.00 179.25 178.61 1wb4 h ASN 992 N 1.35 0.52 -0.50 0.00 2.35 -0.63 -0.16 115.58 118.50 1wb4 h ASN 992 Ca 0.37 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 1wb4 h ASN 992 Cb -0.13 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 1wb4 h ASN 992 CO -0.09 0.85 0.27 -1.28 -1.65 0.00 0.00 177.43 175.53 1wb4 h SER 993 N 0.42 0.64 -0.55 5.81 0.87 -0.91 0.42 113.55 120.24 1wb4 h SER 993 Ca 0.04 -0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1wb4 h SER 993 Cb 0.85 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 1wb4 h SER 993 CO 0.07 0.56 0.27 0.40 -0.53 0.00 0.00 176.83 177.60 1wb4 h ILE 994 N 0.67 1.20 -0.71 2.23 2.04 -1.00 -1.32 117.51 120.61 1wb4 h ILE 994 Ca 0.18 -0.56 -0.03 0.00 1.00 0.00 0.00 64.86 65.45 1wb4 h ILE 994 Cb 0.07 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1wb4 h ILE 994 CO -0.03 0.23 0.34 0.00 0.00 0.00 0.00 178.15 178.69 1wb4 h ALA 995 N 1.11 0.91 -0.35 1.87 0.00 -0.83 -0.89 119.26 121.08 1wb4 h ALA 995 Ca 0.19 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1wb4 h ALA 995 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1wb4 h ALA 995 CO -0.02 0.48 -0.21 1.49 0.00 0.00 0.00 179.25 180.98 1wb4 h GLU 996 N 0.99 0.67 -0.58 0.00 4.57 -0.69 0.58 114.58 120.12 1wb4 h GLU 996 Ca 0.24 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1wb4 h GLU 996 Cb 0.12 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1wb4 h GLU 996 CO -0.03 0.83 0.37 0.00 -1.18 0.00 0.00 179.01 179.00 1wb4 h ALA 997 N 1.17 0.74 -0.33 2.92 0.00 -0.83 -0.08 119.26 122.85 1wb4 h ALA 997 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wb4 h ALA 997 Cb 0.68 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1wb4 h ALA 997 CO 0.05 0.19 0.22 0.82 0.00 0.00 0.00 179.25 180.53 1wb4 h ILE 998 N 0.79 1.08 -0.18 0.00 2.04 -0.73 -1.26 117.51 119.25 1wb4 h ILE 998 Ca 0.21 -0.15 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1wb4 h ILE 998 Cb -0.06 0.59 -0.04 0.00 -0.74 0.00 0.00 36.82 36.58 1wb4 h ILE 998 CO -0.04 0.08 -0.07 0.78 0.00 0.00 0.00 178.15 178.90 1wb4 h ASN 999 N 0.45 -0.23 -0.63 1.72 -0.26 -0.54 -2.16 115.58 113.92 1wb4 h ASN 999 Ca 0.12 0.06 0.01 0.00 -0.56 0.00 0.00 56.30 55.93 1wb4 h ASN 999 Cb -0.05 0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 37.32 1wb4 h ASN 999 CO -0.03 -0.09 0.42 0.03 -1.06 0.00 0.00 177.43 176.70 1wb4 h ARG 1000N -0.03 0.83 0.00 0.81 3.08 -0.81 -2.35 114.38 115.90 1wb4 h ARG 1000Ca 0.09 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1wb4 h ARG 1000Cb 0.17 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1wb4 h ARG 1000CO -0.21 0.55 -0.15 0.66 -1.07 0.00 0.00 179.97 179.75 1wb4 h SER 1001N 0.85 0.00 0.00 7.04 4.64 -0.58 -3.47 113.55 122.04 1wb4 h SER 1001Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1wb4 h SER 1001Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1wb4 h SER 1001CO -0.05 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 1wb4 n GLY 1002N -0.56 0.83 3.77 -0.77 0.00 -0.88 -5.00 105.19 102.57 1wb4 n GLY 1002Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1wb4 n GLY 1002CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wb4 s LEU 1003N 0.00 3.65 0.72 0.99 1.43 -1.25 -5.04 118.68 119.18 1wb4 s LEU 1003Ca 0.00 2.15 -0.12 0.00 -1.03 0.00 0.00 54.13 55.14 1wb4 s LEU 1003Cb 0.00 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.67 1wb4 s LEU 1003CO 0.00 -1.36 1.11 -0.94 0.23 0.00 0.00 176.35 175.39 1wb4 s SER 1004N -1.96 5.29 0.00 2.29 1.04 -1.26 -4.93 113.70 114.16 1wb4 s SER 1004Ca 0.72 1.11 0.12 0.00 0.48 0.00 0.00 55.95 58.38 1wb4 s SER 1004Cb -0.24 -1.87 0.56 0.00 0.10 0.00 0.00 66.02 64.57 1wb4 s SER 1004CO 0.31 -1.44 1.33 2.29 0.98 0.00 0.00 173.24 176.71 1wb4 n LYS 1005N -3.07 0.10 -0.27 4.02 2.85 -1.26 -1.57 118.16 118.96 1wb4 n LYS 1005Ca 0.07 0.23 0.09 0.00 -1.05 0.00 0.00 58.31 57.64 1wb4 n LYS 1005Cb 0.57 -1.50 0.24 0.00 -0.65 0.00 0.00 35.03 33.69 1wb4 n LYS 1005CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1wb4 n ARG 1006N -1.38 2.24 0.00 -1.58 5.12 -1.26 -4.30 116.66 115.51 1wb4 n ARG 1006Ca 0.04 -1.93 0.00 0.00 -1.93 0.00 0.00 57.85 54.03 1wb4 n ARG 1006Cb 0.11 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 1wb4 n ARG 1006CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1wb4 n GLU 1007N 1.07 -0.00 -3.77 5.56 1.02 -0.61 -4.97 120.64 118.93 1wb4 n GLU 1007Ca 0.18 -0.64 -0.13 0.00 -0.02 0.00 0.00 57.16 56.55 1wb4 n GLU 1007Cb 0.45 -0.91 -0.09 0.00 -0.02 0.00 0.00 31.44 30.87 1wb4 n GLU 1007CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1wb4 s TYR 1008N -0.21 -0.15 -0.10 -0.32 -0.85 -1.26 -4.70 117.35 109.77 1wb4 s TYR 1008Ca 0.00 0.20 -0.06 0.00 -0.52 0.00 0.00 57.07 56.69 1wb4 s TYR 1008Cb 0.00 0.08 0.04 0.00 0.38 0.00 0.00 41.96 42.46 1wb4 s TYR 1008CO 0.00 -0.39 0.24 -0.06 -1.52 0.00 0.00 175.55 173.83 1wb4 s PHE 1009N -1.41 -0.31 -0.16 -3.49 0.40 -0.07 -4.81 117.98 108.13 1wb4 s PHE 1009Ca -0.13 0.74 0.00 0.00 -0.60 0.00 0.00 56.93 56.95 1wb4 s PHE 1009Cb -0.05 0.06 0.03 0.00 0.51 0.00 0.00 43.02 43.57 1wb4 s PHE 1009CO 0.04 -0.20 -0.11 0.08 0.70 0.00 0.00 175.22 175.72 1wb4 s VAL 1010N 0.91 1.44 -0.47 -0.44 1.01 -0.18 -1.00 120.40 121.66 1wb4 s VAL 1010Ca -0.06 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1wb4 s VAL 1010Cb -0.08 -1.43 0.12 0.00 0.00 0.00 0.00 36.38 34.99 1wb4 s VAL 1010CO -0.06 0.33 0.22 0.12 0.00 0.00 0.00 175.10 175.72 1wb4 s PHE 1011N 1.52 3.47 0.31 5.22 2.19 -0.22 -1.31 117.98 129.16 1wb4 s PHE 1011Ca 0.03 -2.91 -0.06 0.00 0.33 0.00 0.00 56.93 54.32 1wb4 s PHE 1011Cb -0.14 -3.00 -0.06 0.00 -1.31 0.00 0.00 43.02 38.52 1wb4 s PHE 1011CO -0.09 -0.86 0.60 0.00 1.83 0.00 0.00 175.22 176.69 1wb4 s ALA 1012N 0.35 3.56 0.04 11.12 0.00 0.01 -3.84 121.76 133.00 1wb4 s ALA 1012Ca 0.14 -0.46 -0.20 0.00 0.00 0.00 0.00 51.96 51.44 1wb4 s ALA 1012Cb -0.22 -2.39 0.04 0.00 0.00 0.00 0.00 23.12 20.55 1wb4 s ALA 1012CO -0.04 0.22 0.45 0.00 0.00 0.00 0.00 175.76 176.39 1wb4 s ALA 1013N -2.11 -1.11 0.32 0.00 0.00 -0.80 -1.06 121.76 117.00 1wb4 s ALA 1013Ca 0.46 0.43 -0.14 0.00 0.00 0.00 0.00 51.96 52.70 1wb4 s ALA 1013Cb -0.11 0.33 0.06 0.00 0.00 0.00 0.00 23.12 23.40 1wb4 s ALA 1013CO 0.29 -0.46 0.74 -2.37 0.00 0.00 0.00 175.76 173.97 1wb4 n THR 1014N 0.54 0.00 -3.86 0.00 5.66 -0.27 -0.91 114.28 115.44 1wb4 n THR 1014Ca -0.19 -0.81 -0.31 0.00 -3.05 0.00 0.00 64.05 59.69 1wb4 n THR 1014Cb 0.60 0.84 -0.04 0.00 -1.55 0.00 0.00 70.33 70.18 1wb4 n THR 1014CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1wb4 s GLY 1015N -2.92 2.20 0.39 1.09 0.00 -1.26 -1.00 107.32 105.82 1wb4 s GLY 1015Ca 0.15 -0.77 0.28 0.00 0.00 0.00 0.00 44.72 44.39 1wb4 s GLY 1015CO 0.09 -0.72 1.84 1.48 0.00 0.00 0.00 173.10 175.79 1wb4 h SER 1016N 3.12 0.00 -0.25 1.64 4.64 -0.93 -1.89 113.55 119.88 1wb4 h SER 1016Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1wb4 h SER 1016Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1wb4 h SER 1016CO 0.74 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 176.08 1wb4 n GLU 1017N -2.59 2.86 -3.39 4.77 -0.58 -0.29 -4.87 120.64 116.55 1wb4 n GLU 1017Ca 0.01 -2.82 -0.38 0.00 -0.42 0.00 0.00 57.16 53.55 1wb4 n GLU 1017Cb 0.24 -1.82 -0.08 0.00 -0.57 0.00 0.00 31.44 29.21 1wb4 n GLU 1017CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1wb4 s ASP 1018N -1.95 6.41 0.51 1.62 -1.08 -0.71 -4.40 116.67 117.07 1wb4 s ASP 1018Ca 0.42 0.48 0.32 0.00 -0.52 0.00 0.00 52.55 53.25 1wb4 s ASP 1018Cb 0.34 -2.23 1.45 0.00 -1.46 0.00 0.00 42.92 41.02 1wb4 s ASP 1018CO 0.09 -0.09 1.81 0.16 0.52 0.00 0.00 175.17 177.66 1wb4 h ILE 1019N 5.07 0.45 0.00 4.11 3.07 -1.92 -0.52 117.51 127.77 1wb4 h ILE 1019Ca -0.35 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.03 1wb4 h ILE 1019Cb 1.16 0.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.07 1wb4 h ILE 1019CO 0.71 0.01 0.00 0.00 -1.05 0.00 0.00 178.15 177.82 1wb4 h ALA 1020N 1.48 1.00 -0.95 0.16 0.00 -1.92 -2.65 119.26 116.38 1wb4 h ALA 1020Ca 0.55 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.62 1wb4 h ALA 1020Cb 2.02 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.73 1wb4 h ALA 1020CO -0.07 0.00 0.60 -0.92 0.00 0.00 0.00 179.25 178.86 1wb4 h TYR 1021N 0.00 0.90 -0.90 0.00 5.03 -1.35 -0.56 116.97 120.08 1wb4 h TYR 1021Ca 0.00 0.03 0.11 0.00 2.58 0.00 0.00 58.73 61.44 1wb4 h TYR 1021Cb 0.30 -0.28 -0.07 0.00 1.55 0.00 0.00 36.73 38.24 1wb4 h TYR 1021CO 0.00 0.28 0.58 0.00 -1.32 0.00 0.00 178.16 177.70 1wb4 h ALA 1022N 1.60 1.65 0.00 1.82 0.00 -1.67 -0.49 119.26 122.17 1wb4 h ALA 1022Ca 0.50 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 55.10 1wb4 h ALA 1022Cb 0.82 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1wb4 h ALA 1022CO -0.26 0.15 -2.11 0.09 0.00 0.00 0.00 179.25 177.12 1wb4 n ASN 1023N -4.54 0.31 -0.08 0.00 3.02 -0.90 -4.39 115.26 108.67 1wb4 n ASN 1023Ca 0.16 0.15 -0.13 0.00 -0.03 0.00 0.00 54.58 54.73 1wb4 n ASN 1023Cb 0.34 0.68 -0.05 0.00 -0.61 0.00 0.00 39.78 40.14 1wb4 n ASN 1023CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 1wb4 h MET 1024N 0.00 0.55 -0.33 3.52 2.86 -0.87 -3.27 114.93 117.39 1wb4 h MET 1024Ca -0.42 -0.27 0.02 0.00 -2.06 0.00 0.00 59.70 56.98 1wb4 h MET 1024Cb 2.07 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.70 1wb4 h MET 1024CO 0.04 0.84 0.16 -0.97 1.06 0.00 0.00 176.91 178.04 1wb4 h ASN 1025N 0.27 0.23 -0.66 1.22 -1.24 -1.30 0.04 115.58 114.13 1wb4 h ASN 1025Ca 0.05 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.07 1wb4 h ASN 1025Cb 0.71 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 39.70 1wb4 h ASN 1025CO 0.05 0.17 0.41 -0.65 -1.29 0.00 0.00 177.43 176.12 1wb4 h PRO 1026N 0.33 0.90 -0.50 6.67 0.11 -1.77 -1.20 132.00 136.54 1wb4 h PRO 1026Ca 0.14 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.13 1wb4 h PRO 1026Cb 0.06 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.95 1wb4 h PRO 1026CO -0.10 0.63 0.12 0.37 -0.21 0.00 0.00 178.00 178.81 1wb4 h GLN 1027N 0.92 0.80 -0.61 1.05 4.15 -1.38 -1.72 115.11 118.32 1wb4 h GLN 1027Ca 0.24 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 1wb4 h GLN 1027Cb -0.05 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.50 1wb4 h GLN 1027CO -0.05 0.77 0.35 0.82 -1.93 0.00 0.00 178.83 178.80 1wb4 h ILE 1028N 0.69 1.19 -0.78 2.39 1.08 -0.57 -0.66 117.51 120.85 1wb4 h ILE 1028Ca 0.16 -0.45 -0.05 0.00 -0.39 0.00 0.00 64.86 64.12 1wb4 h ILE 1028Cb 0.33 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.43 1wb4 h ILE 1028CO 0.00 0.20 0.28 -0.33 -0.69 0.00 0.00 178.15 177.62 1wb4 h GLU 1029N 0.83 1.18 -0.58 2.37 4.39 -1.09 -0.11 114.58 121.56 1wb4 h GLU 1029Ca 0.22 -0.23 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1wb4 h GLU 1029Cb 0.01 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.46 1wb4 h GLU 1029CO -0.04 0.97 0.11 0.00 -1.16 0.00 0.00 179.01 178.90 1wb4 h ALA 1030N 1.16 1.10 -0.35 3.43 0.00 -0.87 -2.71 119.26 121.02 1wb4 h ALA 1030Ca 0.26 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 1wb4 h ALA 1030Cb 0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1wb4 h ALA 1030CO -0.02 0.59 -0.21 0.52 0.00 0.00 0.00 179.25 180.14 1wb4 h MET 1031N 0.88 0.66 0.00 0.00 2.86 -0.54 -2.80 114.93 115.98 1wb4 h MET 1031Ca 0.18 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.56 1wb4 h MET 1031Cb 0.36 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.98 1wb4 h MET 1031CO 0.00 0.82 -0.10 0.87 1.06 0.00 0.00 176.91 179.56 1wb4 h LYS 1032N 0.58 0.00 0.00 1.72 1.57 -0.72 -1.53 116.57 118.20 1wb4 h LYS 1032Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1wb4 h LYS 1032Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1wb4 h LYS 1032CO 0.05 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 1wb4 n ALA 1033N -2.48 2.14 -1.79 3.86 0.00 -1.06 -4.80 120.51 116.39 1wb4 n ALA 1033Ca -0.03 -0.03 -0.36 0.00 0.00 0.00 0.00 53.44 53.02 1wb4 n ALA 1033Cb 0.18 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.15 1wb4 n ALA 1033CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1wb4 s LEU 1034N -3.92 4.08 0.50 0.00 1.43 -0.58 -4.93 118.68 115.26 1wb4 s LEU 1034Ca 0.10 2.00 0.33 0.00 -1.03 0.00 0.00 54.13 55.53 1wb4 s LEU 1034Cb 0.14 -4.27 1.54 0.00 0.03 0.00 0.00 46.19 43.63 1wb4 s LEU 1034CO 0.51 -0.53 1.99 1.55 0.23 0.00 0.00 176.35 180.11 1wb4 h PRO 1035N 2.31 0.00 0.00 1.29 0.13 -1.87 -3.06 132.00 130.81 1wb4 h PRO 1035Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wb4 h PRO 1035Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1wb4 h PRO 1035CO 0.62 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.84 1wb4 h HIS 1036N 0.00 0.00 -3.80 1.56 3.86 -1.91 -3.43 115.15 111.43 1wb4 h HIS 1036Ca 0.00 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 1wb4 h HIS 1036Cb 0.29 0.00 -0.32 0.00 1.06 0.00 0.00 27.41 28.45 1wb4 h HIS 1036CO 0.00 0.00 -0.85 -0.06 0.86 0.00 0.00 177.93 177.88 1wb4 s PHE 1037N -3.73 1.99 -0.32 2.45 0.08 -1.16 -4.82 117.98 112.47 1wb4 s PHE 1037Ca -0.00 -0.64 -0.04 0.00 0.12 0.00 0.00 56.93 56.38 1wb4 s PHE 1037Cb 0.10 -1.34 0.05 0.00 -0.57 0.00 0.00 43.02 41.26 1wb4 s PHE 1037CO 0.48 -0.23 0.05 -0.51 -0.10 0.00 0.00 175.22 174.91 1wb4 s ASP 1038N 0.10 5.08 -0.28 1.36 1.01 -1.26 -4.84 116.67 117.84 1wb4 s ASP 1038Ca -0.07 -1.26 -0.29 0.00 0.71 0.00 0.00 52.55 51.64 1wb4 s ASP 1038Cb -0.13 -1.78 0.01 0.00 1.01 0.00 0.00 42.92 42.03 1wb4 s ASP 1038CO 0.04 -0.30 1.06 -0.47 0.21 0.00 0.00 175.17 175.70 1wb4 s TYR 1039N 1.31 3.23 0.00 4.23 5.04 -1.26 -1.10 117.35 128.79 1wb4 s TYR 1039Ca -0.03 1.30 0.00 0.00 -2.44 0.00 0.00 57.07 55.90 1wb4 s TYR 1039Cb -0.20 -3.52 0.00 0.00 0.35 0.00 0.00 41.96 38.59 1wb4 s TYR 1039CO 0.00 -0.65 0.00 -2.37 -1.34 0.00 0.00 175.55 171.19 1wb4 n THR 1040N 5.65 0.00 1.14 4.34 5.66 0.22 -4.95 114.28 126.34 1wb4 n THR 1040Ca 0.12 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.26 1wb4 n THR 1040Cb 0.47 0.00 0.67 0.00 -1.55 0.00 0.00 70.33 69.91 1wb4 n THR 1040CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1wb4 n SER 1041N 0.00 0.00 -4.55 1.09 3.41 -0.73 -3.51 113.62 109.32 1wb4 n SER 1041Ca 0.00 0.29 -0.41 0.00 -0.26 0.00 0.00 58.87 58.49 1wb4 n SER 1041Cb 0.00 -0.43 -0.03 0.00 -0.26 0.00 0.00 64.21 63.49 1wb4 n SER 1041CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wb4 s ASP 1042N -2.86 6.39 0.00 4.04 -1.08 -1.02 -4.70 116.67 117.44 1wb4 s ASP 1042Ca 0.19 -1.14 0.23 0.00 -0.52 0.00 0.00 52.55 51.31 1wb4 s ASP 1042Cb 0.19 -2.56 1.40 0.00 -1.46 0.00 0.00 42.92 40.49 1wb4 s ASP 1042CO 0.51 -1.61 1.78 0.49 0.52 0.00 0.00 175.17 176.86 1wb4 n PHE 1043N 9.00 0.00 0.88 -5.34 3.72 -1.26 -1.07 117.46 123.39 1wb4 n PHE 1043Ca 0.23 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.77 1wb4 n PHE 1043Cb 0.50 0.00 0.55 0.00 -0.94 0.00 0.00 39.48 39.59 1wb4 n PHE 1043CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1wb4 n SER 1044N -0.98 0.23 -0.03 4.37 3.41 -1.26 -4.22 113.62 115.13 1wb4 n SER 1044Ca 0.18 0.52 -0.06 0.00 -0.26 0.00 0.00 58.87 59.25 1wb4 n SER 1044Cb 0.08 -0.58 -0.03 0.00 -0.26 0.00 0.00 64.21 63.42 1wb4 n SER 1044CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wb4 n LYS 1045N -1.71 0.14 -0.08 4.33 5.02 -0.23 -5.12 118.16 120.51 1wb4 n LYS 1045Ca 0.06 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1wb4 n LYS 1045Cb 0.36 -0.88 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 1wb4 n LYS 1045CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wb4 n GLY 1046N 2.81 5.71 0.24 0.72 0.00 -0.54 -5.03 105.19 109.10 1wb4 n GLY 1046Ca -0.12 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1wb4 n GLY 1046CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wb4 n ASN 1047N -0.10 0.00 -3.68 1.61 6.94 -0.26 -4.15 115.26 115.61 1wb4 n ASN 1047Ca 0.00 -1.18 -0.10 0.00 -0.02 0.00 0.00 54.58 53.28 1wb4 n ASN 1047Cb 0.00 -0.04 -0.10 0.00 -2.36 0.00 0.00 39.78 37.28 1wb4 n ASN 1047CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1wb4 s PHE 1048N 0.00 -0.67 -0.00 -2.53 5.36 -1.07 -1.02 117.98 118.05 1wb4 s PHE 1048Ca 0.00 1.39 -0.15 0.00 -0.96 0.00 0.00 56.93 57.21 1wb4 s PHE 1048Cb 0.00 0.30 0.02 0.00 -0.34 0.00 0.00 43.02 43.01 1wb4 s PHE 1048CO 0.00 -0.38 0.33 -0.47 -1.46 0.00 0.00 175.22 173.24 1wb4 s TYR 1049N 1.62 -0.19 -0.27 10.12 5.04 -0.43 -0.61 117.35 132.63 1wb4 s TYR 1049Ca -0.08 0.24 -0.01 0.00 -2.44 0.00 0.00 57.07 54.77 1wb4 s TYR 1049Cb -0.09 0.11 0.09 0.00 0.35 0.00 0.00 41.96 42.42 1wb4 s TYR 1049CO -0.13 -0.43 0.06 0.12 -1.34 0.00 0.00 175.55 173.83 1wb4 s PHE 1050N -1.61 1.67 -0.19 4.97 5.36 -1.26 -0.81 117.98 126.11 1wb4 s PHE 1050Ca -0.11 -1.55 -0.20 0.00 -0.96 0.00 0.00 56.93 54.11 1wb4 s PHE 1050Cb -0.04 -1.55 -0.03 0.00 -0.34 0.00 0.00 43.02 41.06 1wb4 s PHE 1050CO 0.03 -0.80 0.59 -1.17 -1.46 0.00 0.00 175.22 172.41 1wb4 s LEU 1051N 1.63 4.16 -0.26 6.12 0.20 -0.22 -4.97 118.68 125.35 1wb4 s LEU 1051Ca 0.05 0.80 0.02 0.00 0.69 0.00 0.00 54.13 55.68 1wb4 s LEU 1051Cb -0.17 -2.83 0.05 0.00 -0.43 0.00 0.00 46.19 42.81 1wb4 s LEU 1051CO -0.18 -0.22 -0.09 -0.69 -0.29 0.00 0.00 176.35 174.87 1wb4 s VAL 1052N 1.72 2.37 -0.25 1.68 1.01 -1.26 -1.11 120.40 124.55 1wb4 s VAL 1052Ca 0.27 -1.47 -0.25 0.00 0.00 0.00 0.00 61.98 60.53 1wb4 s VAL 1052Cb -0.16 -2.33 -0.00 0.00 0.00 0.00 0.00 36.38 33.89 1wb4 s VAL 1052CO 0.10 0.03 0.87 0.00 0.00 0.00 0.00 175.10 176.11 1wb4 s ALA 1053N 1.17 3.63 0.11 5.51 0.00 -0.17 -4.75 121.76 127.26 1wb4 s ALA 1053Ca -0.06 -0.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.47 1wb4 s ALA 1053Cb -0.19 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.48 1wb4 s ALA 1053CO -0.05 -1.03 1.65 -2.14 0.00 0.00 0.00 175.76 174.19 1wb4 s PRO 1054N 2.97 4.19 0.00 0.00 0.02 -1.26 -0.66 135.00 140.27 1wb4 s PRO 1054Ca 0.37 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.76 1wb4 s PRO 1054Cb -0.15 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 30.94 1wb4 s PRO 1054CO 0.08 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 1wb4 n GLY 1055N 3.94 2.25 3.77 0.52 0.00 -1.26 -4.87 105.19 109.55 1wb4 n GLY 1055Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1wb4 n GLY 1055CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wb4 s ALA 1056N -2.87 3.26 0.52 4.61 0.00 -1.05 -4.58 121.76 121.65 1wb4 s ALA 1056Ca 0.00 0.61 0.07 0.00 0.00 0.00 0.00 51.96 52.64 1wb4 s ALA 1056Cb 0.00 -3.21 0.04 0.00 0.00 0.00 0.00 23.12 19.94 1wb4 s ALA 1056CO 0.00 0.12 0.50 0.95 0.00 0.00 0.00 175.76 177.33 1wb4 s THR 1057N -1.44 2.01 -1.21 0.00 -4.23 -1.26 -1.13 115.64 108.37 1wb4 s THR 1057Ca 0.47 -1.33 -0.20 0.00 -1.18 0.00 0.00 61.69 59.46 1wb4 s THR 1057Cb -0.23 -2.33 0.04 0.00 1.34 0.00 0.00 72.50 71.32 1wb4 s THR 1057CO 0.28 0.00 1.71 -2.28 -0.54 0.00 0.00 174.62 173.79 1wb4 s HIS 1058N -2.68 2.59 -0.22 3.99 2.46 -1.26 -4.77 115.29 115.41 1wb4 s HIS 1058Ca 0.44 -1.13 -0.18 0.00 0.47 0.00 0.00 55.06 54.66 1wb4 s HIS 1058Cb -0.03 -4.63 0.06 0.00 -0.13 0.00 0.00 32.58 27.84 1wb4 s HIS 1058CO 0.27 -1.77 0.58 -0.46 -2.47 0.00 0.00 174.74 170.89 1wb4 s TRP 1059N 5.39 -0.72 0.58 3.88 -0.00 -1.26 -5.03 118.94 121.78 1wb4 s TRP 1059Ca 0.54 1.63 0.28 0.00 -0.00 0.00 0.00 56.10 58.55 1wb4 s TRP 1059Cb 0.02 0.31 1.54 0.00 -0.00 0.00 0.00 33.47 35.34 1wb4 s TRP 1059CO 0.04 -0.36 2.01 -1.49 -0.00 0.00 0.00 176.95 177.16 1wb4 h TRP 1060N 5.84 0.00 -0.41 5.86 4.06 -1.91 -1.19 115.95 128.19 1wb4 h TRP 1060Ca -0.30 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.66 1wb4 h TRP 1060Cb 1.18 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.32 1wb4 h TRP 1060CO 0.31 0.00 0.27 0.78 -3.56 0.00 0.00 178.44 176.24 1wb4 h GLY 1061N 0.00 0.56 0.37 1.49 0.00 -1.94 -1.59 103.07 101.96 1wb4 h GLY 1061Ca 0.16 -0.20 -0.26 0.00 0.00 0.00 0.00 47.33 47.02 1wb4 h GLY 1061CO -0.00 0.19 -1.38 -0.97 0.00 0.00 0.00 176.54 174.38 1wb4 h TYR 1062N 0.52 0.29 -0.27 5.60 0.05 -1.55 -3.41 116.97 118.21 1wb4 h TYR 1062Ca 0.16 -0.21 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 1wb4 h TYR 1062Cb -0.01 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1wb4 h TYR 1062CO -0.00 1.54 0.10 0.28 -1.05 0.00 0.00 178.16 179.03 1wb4 h VAL 1063N -0.49 1.11 -0.84 -2.88 2.07 -1.00 -0.81 116.25 113.41 1wb4 h VAL 1063Ca -0.32 -0.35 0.14 0.00 0.82 0.00 0.00 66.70 66.99 1wb4 h VAL 1063Cb 1.63 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 1wb4 h VAL 1063CO -0.02 0.13 0.55 0.08 0.02 0.00 0.00 177.57 178.33 1wb4 h ARG 1064N 0.37 0.59 0.00 1.57 0.11 -1.53 -0.25 114.38 115.25 1wb4 h ARG 1064Ca 0.09 -0.04 -0.10 0.00 0.10 0.00 0.00 59.98 60.04 1wb4 h ARG 1064Cb 0.09 -0.13 -0.01 0.00 1.11 0.00 0.00 29.97 31.02 1wb4 h ARG 1064CO -0.01 0.39 -0.46 0.45 0.10 0.00 0.00 179.97 180.44 1wb4 h HIS 1065N 0.61 0.00 -0.64 4.08 3.86 -1.39 -2.12 115.15 119.54 1wb4 h HIS 1065Ca 0.41 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.59 1wb4 h HIS 1065Cb 0.73 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.17 1wb4 h HIS 1065CO -0.00 0.46 0.25 1.88 0.86 0.00 0.00 177.93 181.38 1wb4 h TYR 1066N 0.00 0.95 -0.41 2.45 0.05 -1.00 -0.48 116.97 118.53 1wb4 h TYR 1066Ca -0.00 -0.06 -0.04 0.00 0.05 0.00 0.00 58.73 58.68 1wb4 h TYR 1066Cb 0.81 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.24 1wb4 h TYR 1066CO 0.00 0.74 0.10 0.82 -1.05 0.00 0.00 178.16 178.77 1wb4 h ILE 1067N 0.93 1.23 -0.74 -2.88 2.04 -1.30 0.50 117.51 117.29 1wb4 h ILE 1067Ca 0.22 -0.77 0.11 0.00 1.00 0.00 0.00 64.86 65.42 1wb4 h ILE 1067Cb 0.19 0.96 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 1wb4 h ILE 1067CO -0.02 0.27 0.35 0.22 0.00 0.00 0.00 178.15 178.97 1wb4 h TYR 1068N 0.51 0.61 -0.06 1.37 3.20 -1.12 0.75 116.97 122.24 1wb4 h TYR 1068Ca 0.13 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.79 1wb4 h TYR 1068Cb 0.30 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 38.42 1wb4 h TYR 1068CO 0.02 0.18 -0.90 -0.44 -1.64 0.00 0.00 178.16 175.37 1wb4 h ASP 1069N 0.56 0.79 0.19 -2.11 3.32 -0.69 -3.39 116.42 115.09 1wb4 h ASP 1069Ca 0.38 -0.58 -0.35 0.00 0.02 0.00 0.00 57.03 56.49 1wb4 h ASP 1069Cb 0.47 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1wb4 h ASP 1069CO -0.31 1.38 -1.97 0.00 -1.72 0.00 0.00 179.24 176.61 1wb4 n ALA 1070N -2.60 1.04 -0.09 3.45 0.00 0.13 -4.39 120.51 118.05 1wb4 n ALA 1070Ca -0.08 -0.66 0.03 0.00 0.00 0.00 0.00 53.44 52.73 1wb4 n ALA 1070Cb 0.81 -0.68 0.36 0.00 0.00 0.00 0.00 19.45 19.94 1wb4 n ALA 1070CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wb4 h LEU 1071N 0.05 0.61 -2.40 0.00 5.85 -1.04 -0.30 115.31 118.08 1wb4 h LEU 1071Ca -0.41 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.30 1wb4 h LEU 1071Cb 2.03 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.91 1wb4 h LEU 1071CO 0.08 0.44 0.00 -0.65 -0.34 0.00 0.00 178.44 177.97 1wb4 h PRO 1072N 0.72 0.00 0.00 5.25 0.11 -1.77 -1.66 132.00 134.65 1wb4 h PRO 1072Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1wb4 h PRO 1072Cb -0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1wb4 h PRO 1072CO -0.05 0.00 -0.03 0.66 -0.21 0.00 0.00 178.00 178.37 1wb4 n TYR 1073N -2.80 0.30 -3.46 0.65 4.02 -0.12 -4.93 117.16 110.83 1wb4 n TYR 1073Ca -0.02 0.09 -0.32 0.00 -0.01 0.00 0.00 57.90 57.63 1wb4 n TYR 1073Cb 0.07 -0.63 -0.05 0.00 -0.02 0.00 0.00 39.34 38.70 1wb4 n TYR 1073CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1wb4 s PHE 1074N -3.03 3.46 -0.02 -0.72 0.40 -0.63 -4.57 117.98 112.88 1wb4 s PHE 1074Ca 0.13 0.84 0.00 0.00 -0.60 0.00 0.00 56.93 57.30 1wb4 s PHE 1074Cb 0.17 -2.23 0.00 0.00 0.51 0.00 0.00 43.02 41.47 1wb4 s PHE 1074CO 0.56 0.33 0.00 1.19 0.70 0.00 0.00 175.22 178.00 1wb4 n PHE 1075N 0.09 -0.00 0.59 0.36 3.72 -1.26 -4.92 117.46 116.03 1wb4 n PHE 1075Ca -0.01 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.48 1wb4 n PHE 1075Cb 0.52 -0.62 -0.12 0.00 -0.94 0.00 0.00 39.48 38.32 1wb4 n PHE 1075CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1wb4 n HIS 1076N -3.19 0.00 -2.84 1.38 8.25 -1.26 -4.59 115.22 112.97 1wb4 n HIS 1076Ca -0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1wb4 n HIS 1076Cb 0.10 -0.14 -0.04 0.00 1.12 0.00 0.00 29.99 31.04 1wb4 n HIS 1076CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1wb4 s GLU 1077N -2.92 4.33 -1.56 -0.41 0.41 -1.26 -2.96 118.70 114.33 1wb4 s GLU 1077Ca 0.02 1.11 -0.02 0.00 -0.41 0.00 0.00 54.97 55.67 1wb4 s GLU 1077Cb 0.13 -3.57 0.00 0.00 -1.78 0.00 0.00 34.13 28.92 1wb4 s GLU 1077CO 0.76 -0.33 0.29 1.28 -0.49 0.00 0.00 175.26 176.78 1wb4 n LEU 1078N 5.19 -2.27 -4.86 1.80 4.77 -1.26 -4.98 117.00 115.39 1wb4 n LEU 1078Ca 0.06 -0.15 -0.30 0.00 -0.03 0.00 0.00 56.01 55.59 1wb4 n LEU 1078Cb 0.49 -2.80 0.05 0.00 -2.33 0.00 0.00 43.42 38.83 1wb4 n LEU 1078CO 0.49 0.01 0.73 -1.83 -1.33 0.00 0.00 177.39 175.47 1wb4 s GLU 1079N -5.31 2.81 0.00 3.23 -1.05 -1.15 -4.99 118.70 112.25 1wb4 s GLU 1079Ca 0.15 0.59 0.23 0.00 -0.15 0.00 0.00 54.97 55.79 1wb4 s GLU 1079Cb -0.06 -2.00 0.15 0.00 -0.44 0.00 0.00 34.13 31.77 1wb4 s GLU 1079CO 0.18 -1.10 1.16 0.72 0.95 0.00 0.00 175.26 177.17 1wb4 n HIS 1080N -3.07 0.02 -2.72 4.83 8.25 -1.26 -4.85 115.22 116.42 1wb4 n HIS 1080Ca 0.07 0.01 -0.28 0.00 -0.26 0.00 0.00 57.72 57.26 1wb4 n HIS 1080Cb 0.56 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.50 1wb4 n HIS 1080CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1wb4 s HIS 1081N -3.02 3.54 -0.81 4.41 3.76 -1.26 -5.02 115.29 116.89 1wb4 s HIS 1081Ca 0.09 0.85 -0.17 0.00 -0.15 0.00 0.00 55.06 55.68 1wb4 s HIS 1081Cb 0.17 -2.32 0.16 0.00 1.11 0.00 0.00 32.58 31.70 1wb4 s HIS 1081CO 0.78 -0.22 0.88 -1.58 -0.85 0.00 0.00 174.74 173.76 1wb4 s HIS 1082N -2.63 3.35 0.10 1.40 2.46 -1.26 -5.01 115.29 113.70 1wb4 s HIS 1082Ca 0.48 -1.53 0.10 0.00 0.47 0.00 0.00 55.06 54.57 1wb4 s HIS 1082Cb -0.10 -4.03 -0.04 0.00 -0.13 0.00 0.00 32.58 28.28 1wb4 s HIS 1082CO 0.41 -1.24 -0.25 -1.01 -2.47 0.00 0.00 174.74 170.18 1wb4 s HIS 1083N 1.67 2.17 -0.31 3.88 4.02 -1.26 -5.12 115.29 120.34 1wb4 s HIS 1083Ca 0.22 -0.39 -0.04 0.00 1.02 0.00 0.00 55.06 55.86 1wb4 s HIS 1083Cb -0.12 -1.21 0.04 0.00 -1.02 0.00 0.00 32.58 30.27 1wb4 s HIS 1083CO -0.06 0.26 0.04 -1.01 1.02 0.00 0.00 174.74 175.00 1wb4 s HIS 1084N -1.02 3.23 -0.44 1.40 3.76 -1.26 -5.16 115.29 115.81 1wb4 s HIS 1084Ca 0.12 -1.58 0.04 0.00 -0.15 0.00 0.00 55.06 53.49 1wb4 s HIS 1084Cb -0.10 -2.18 0.03 0.00 1.11 0.00 0.00 32.58 31.43 1wb4 s HIS 1084CO 0.05 -0.75 0.61 0.72 -0.85 0.00 0.00 174.74 174.52