#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5r n SER 2 N 0.00 -1.31 -2.36 1.61 2.88 -1.26 -4.80 113.62 108.38 1v5r n SER 2 Ca 0.00 -1.24 -0.33 0.00 -1.33 0.00 0.00 58.87 55.97 1v5r n SER 2 Cb 0.00 -1.66 0.05 0.00 -0.75 0.00 0.00 64.21 61.85 1v5r n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v5r n SER 3 N -2.56 6.83 0.00 -3.46 2.88 -1.26 -4.94 113.62 111.11 1v5r n SER 3 Ca 0.02 -3.78 0.00 0.00 -1.33 0.00 0.00 58.87 53.78 1v5r n SER 3 Cb 0.51 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 1v5r n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v5r n GLY 4 N -0.78 2.06 3.51 0.46 0.00 -1.26 -4.85 105.19 104.32 1v5r n GLY 4 Ca 0.55 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 1v5r n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v5r s SER 5 N 0.00 6.81 -0.30 1.61 0.15 -1.26 -4.86 113.70 115.85 1v5r s SER 5 Ca 0.00 -2.37 -0.06 0.00 0.70 0.00 0.00 55.95 54.22 1v5r s SER 5 Cb 0.00 -2.48 0.17 0.00 -1.71 0.00 0.00 66.02 62.01 1v5r s SER 5 CO 0.00 -1.06 0.71 -0.55 1.20 0.00 0.00 173.24 173.54 1v5r s SER 6 N 3.75 -1.14 0.00 5.45 0.15 -1.26 -4.91 113.70 115.74 1v5r s SER 6 Ca 0.44 0.93 0.00 0.00 0.70 0.00 0.00 55.95 58.02 1v5r s SER 6 Cb -0.01 2.04 0.00 0.00 -1.71 0.00 0.00 66.02 66.34 1v5r s SER 6 CO -0.02 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1v5r n GLY 7 N 5.41 -0.71 3.57 9.45 0.00 -1.26 -4.98 105.19 116.67 1v5r n GLY 7 Ca -0.05 0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1v5r n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1v5r s ASN 8 N 0.00 6.53 -0.05 1.61 0.02 -1.26 -4.93 114.94 116.86 1v5r s ASN 8 Ca 0.00 0.23 -0.25 0.00 -1.02 0.00 0.00 52.86 51.82 1v5r s ASN 8 Cb 0.00 -2.42 -0.22 0.00 0.02 0.00 0.00 41.25 38.63 1v5r s ASN 8 CO 0.00 -0.86 1.08 -0.07 0.02 0.00 0.00 177.10 177.26 1v5r h LEU 9 N 10.06 0.15 -0.92 0.60 -0.00 -2.01 -3.28 115.31 119.90 1v5r h LEU 9 Ca -0.24 -0.71 0.26 0.00 -0.00 0.00 0.00 57.88 57.19 1v5r h LEU 9 Cb 1.09 -0.05 -0.16 0.00 -0.00 0.00 0.00 40.66 41.54 1v5r h LEU 9 CO 0.96 0.84 0.16 0.25 -0.00 0.00 0.00 178.44 180.65 1v5r h LEU 10 N -0.53 -0.19 0.01 1.67 5.85 -1.96 0.11 115.31 120.27 1v5r h LEU 10 Ca -0.01 0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1v5r h LEU 10 Cb 0.85 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 1v5r h LEU 10 CO 0.03 -0.27 -0.32 -0.78 -0.34 0.00 0.00 178.44 176.77 1v5r h ASP 11 N 0.10 -0.94 -0.71 1.25 3.58 -1.99 0.09 116.42 117.79 1v5r h ASP 11 Ca 0.59 0.12 0.15 0.00 0.42 0.00 0.00 57.03 58.31 1v5r h ASP 11 Cb 1.24 0.38 -0.13 0.00 1.72 0.00 0.00 39.33 42.54 1v5r h ASP 11 CO -0.77 -0.38 -0.11 -0.78 -2.88 0.00 0.00 179.24 174.32 1v5r h ASP 12 N -0.48 -0.53 0.75 2.28 3.58 -0.89 0.14 116.42 121.28 1v5r h ASP 12 Ca 0.06 0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 1v5r h ASP 12 Cb 0.56 0.40 0.01 0.00 1.72 0.00 0.00 39.33 42.01 1v5r h ASP 12 CO -0.26 -0.21 -0.36 0.00 -2.88 0.00 0.00 179.24 175.53 1v5r h ALA 13 N 1.70 -1.14 -0.81 -0.78 0.00 -1.10 -1.98 119.26 115.14 1v5r h ALA 13 Ca 0.36 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 55.24 1v5r h ALA 13 Cb 0.59 0.39 -0.15 0.00 0.00 0.00 0.00 17.79 18.62 1v5r h ALA 13 CO -0.69 -1.06 -0.02 0.28 0.00 0.00 0.00 179.25 177.75 1v5r h VAL 14 N -1.12 0.25 -0.28 0.00 2.07 -0.45 0.20 116.25 116.92 1v5r h VAL 14 Ca -0.10 -0.02 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1v5r h VAL 14 Cb 0.77 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1v5r h VAL 14 CO 0.17 0.01 0.10 0.50 0.02 0.00 0.00 177.57 178.37 1v5r h LYS 15 N 0.07 0.23 0.63 1.57 3.64 -0.70 -1.19 116.57 120.82 1v5r h LYS 15 Ca 0.45 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.78 1v5r h LYS 15 Cb 0.80 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1v5r h LYS 15 CO -0.75 0.15 -0.30 0.00 -2.27 0.00 0.00 179.45 176.28 1v5r h ARG 16 N 0.23 -0.82 -0.92 1.90 3.08 0.06 -0.94 114.38 116.97 1v5r h ARG 16 Ca 0.12 0.06 0.27 0.00 0.07 0.00 0.00 59.98 60.50 1v5r h ARG 16 Cb 0.09 0.19 -0.16 0.00 0.08 0.00 0.00 29.97 30.16 1v5r h ARG 16 CO -0.12 -0.54 0.20 0.82 -1.07 0.00 0.00 179.97 179.25 1v5r h ILE 17 N -0.92 0.19 -0.08 2.04 2.04 -0.78 1.36 117.51 121.35 1v5r h ILE 17 Ca -0.09 -0.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.65 1v5r h ILE 17 Cb 0.65 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 1v5r h ILE 17 CO 0.14 0.02 -0.34 0.77 0.00 0.00 0.00 178.15 178.74 1v5r h SER 18 N 0.12 0.16 -0.56 1.72 4.64 -1.12 -2.68 113.55 115.83 1v5r h SER 18 Ca 0.60 -0.06 -0.19 0.00 -0.47 0.00 0.00 61.79 61.68 1v5r h SER 18 Cb 1.27 -0.04 -0.11 0.00 -0.31 0.00 0.00 62.40 63.21 1v5r h SER 18 CO -0.75 0.50 0.16 -0.62 -0.87 0.00 0.00 176.83 175.25 1v5r n GLU 19 N -4.10 2.97 -3.15 4.77 1.02 0.40 -4.43 120.64 118.13 1v5r n GLU 19 Ca -0.01 -3.05 0.05 0.00 -0.02 0.00 0.00 57.16 54.12 1v5r n GLU 19 Cb 0.41 -2.04 -0.01 0.00 -0.02 0.00 0.00 31.44 29.79 1v5r n GLU 19 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1v5r s ASP 20 N -1.62 -0.76 0.46 1.62 2.15 0.23 -3.68 116.67 115.06 1v5r s ASP 20 Ca 0.50 0.27 -0.23 0.00 0.43 0.00 0.00 52.55 53.52 1v5r s ASP 20 Cb 0.41 1.56 -0.07 0.00 -0.30 0.00 0.00 42.92 44.51 1v5r s ASP 20 CO 0.09 -0.14 1.16 -2.16 -0.17 0.00 0.00 175.17 173.95 1v5r s PRO 21 N 2.92 3.78 0.10 4.34 0.04 -1.26 -4.33 135.00 140.59 1v5r s PRO 21 Ca 0.13 1.78 -0.31 0.00 0.04 0.00 0.00 61.00 62.64 1v5r s PRO 21 Cb -0.08 -2.42 -0.07 0.00 0.04 0.00 0.00 34.50 31.96 1v5r s PRO 21 CO -0.19 -0.53 1.37 -1.25 0.04 0.00 0.00 177.00 176.44 1v5r s PRO 22 N -2.67 4.33 -0.25 0.56 0.04 -1.24 -4.87 135.00 130.90 1v5r s PRO 22 Ca 0.63 2.03 -0.33 0.00 0.04 0.00 0.00 61.00 63.37 1v5r s PRO 22 Cb -0.29 -3.29 -0.10 0.00 0.04 0.00 0.00 34.50 30.86 1v5r s PRO 22 CO 0.35 -0.43 2.10 0.00 0.04 0.00 0.00 177.00 179.06 1v5r h LYS 24 N 11.99 0.06 -5.02 0.00 1.79 -1.92 -3.45 116.57 120.02 1v5r h LYS 24 Ca -0.37 -0.01 -0.49 0.00 -2.18 0.00 0.00 60.65 57.60 1v5r h LYS 24 Cb 1.29 -0.01 0.16 0.00 -1.58 0.00 0.00 32.23 32.09 1v5r h LYS 24 CO 0.98 0.10 -1.09 0.00 -1.08 0.00 0.00 179.45 178.37 1v5r n PRO 26 N 1.43 0.49 -3.58 0.00 -0.04 -1.26 -4.40 135.00 127.63 1v5r n PRO 26 Ca 0.05 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.26 1v5r n PRO 26 Cb 0.41 -1.45 -0.16 0.00 -0.04 0.00 0.00 33.50 32.25 1v5r n PRO 26 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1v5r s THR 27 N -2.00 -0.12 1.13 0.52 2.01 -1.26 -5.15 115.64 110.77 1v5r s THR 27 Ca 0.21 -0.23 -0.12 0.00 0.31 0.00 0.00 61.69 61.86 1v5r s THR 27 Cb 0.10 -0.64 0.27 0.00 0.01 0.00 0.00 72.50 72.23 1v5r s THR 27 CO 0.16 -0.33 1.05 -0.75 -0.69 0.00 0.00 174.62 174.07 1v5r s LYS 28 N 2.16 -0.66 1.06 4.92 2.20 -1.26 -5.00 119.74 123.15 1v5r s LYS 28 Ca 0.04 1.00 -0.16 0.00 -0.36 0.00 0.00 55.97 56.49 1v5r s LYS 28 Cb -0.16 -1.57 0.22 0.00 -1.51 0.00 0.00 37.83 34.81 1v5r s LYS 28 CO -0.13 -3.60 1.14 0.12 -0.36 0.00 0.00 175.35 172.52 1v5r s PHE 29 N -2.47 1.47 -0.45 4.03 5.36 -1.26 -5.00 117.98 119.66 1v5r s PHE 29 Ca 0.68 0.65 -0.16 0.00 -0.96 0.00 0.00 56.93 57.15 1v5r s PHE 29 Cb -0.25 -3.50 0.05 0.00 -0.34 0.00 0.00 43.02 38.99 1v5r s PHE 29 CO 0.64 -3.15 0.39 0.00 -1.46 0.00 0.00 175.22 171.64 1v5r s VAL 31 N 1.80 0.16 -0.10 0.00 1.01 -1.18 -0.94 120.40 121.15 1v5r s VAL 31 Ca 0.06 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1v5r s VAL 31 Cb -0.21 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1v5r s VAL 31 CO 0.09 -0.37 -0.08 -0.70 0.00 0.00 0.00 175.10 174.04 1v5r s GLU 32 N 2.01 1.45 -0.31 2.72 2.56 -1.15 -4.90 118.70 121.09 1v5r s GLU 32 Ca 0.03 -0.25 -0.29 0.00 0.00 0.00 0.00 54.97 54.47 1v5r s GLU 32 Cb -0.16 -1.46 -0.02 0.00 2.00 0.00 0.00 34.13 34.49 1v5r s GLU 32 CO -0.15 -0.21 1.69 0.50 -0.56 0.00 0.00 175.26 176.53 1v5r s ARG 33 N 1.49 3.51 -0.11 4.30 3.52 -1.26 -0.17 118.95 130.23 1v5r s ARG 33 Ca 0.00 1.43 -0.18 0.00 -0.13 0.00 0.00 55.73 56.86 1v5r s ARG 33 Cb -0.13 -4.12 -0.26 0.00 -1.56 0.00 0.00 34.95 28.87 1v5r s ARG 33 CO -0.05 -1.64 0.56 -0.07 -0.81 0.00 0.00 175.30 173.29 1v5r h LEU 34 N 12.84 0.31 0.00 -0.88 4.07 -1.45 -3.49 115.31 126.72 1v5r h LEU 34 Ca -0.33 -0.83 0.18 0.00 0.08 0.00 0.00 57.88 56.97 1v5r h LEU 34 Cb 1.15 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.76 1v5r h LEU 34 CO 1.03 1.54 0.56 -1.20 -1.08 0.00 0.00 178.44 179.28 1v5r n SER 35 N -4.05 -1.28 -4.56 -0.43 7.64 -1.18 -5.02 113.62 104.75 1v5r n SER 35 Ca -0.24 -1.57 -0.60 0.00 1.01 0.00 0.00 58.87 57.47 1v5r n SER 35 Cb 0.84 2.05 -0.09 0.00 -1.01 0.00 0.00 64.21 66.00 1v5r n SER 35 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1v5r n GLN 36 N -0.64 0.53 -3.52 1.43 7.27 -1.26 0.22 117.38 121.41 1v5r n GLN 36 Ca -0.00 0.18 -0.21 0.00 0.07 0.00 0.00 57.00 57.03 1v5r n GLN 36 Cb 0.47 -1.84 0.08 0.00 2.41 0.00 0.00 30.24 31.36 1v5r n GLN 36 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1v5r n GLY 37 N 5.42 -0.46 3.06 1.69 0.00 -1.26 -5.01 105.19 108.63 1v5r n GLY 37 Ca 0.38 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.46 1v5r n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1v5r s ARG 38 N -6.02 0.20 -0.06 1.61 3.52 0.13 -3.33 118.95 115.01 1v5r s ARG 38 Ca 0.42 0.69 -0.03 0.00 -0.13 0.00 0.00 55.73 56.67 1v5r s ARG 38 Cb -0.18 -0.04 0.03 0.00 -1.56 0.00 0.00 34.95 33.19 1v5r s ARG 38 CO 0.71 -0.23 0.13 0.71 -0.81 0.00 0.00 175.30 175.81 1v5r s TYR 39 N 1.94 -0.15 -0.81 5.12 1.51 -1.16 -1.03 117.35 122.76 1v5r s TYR 39 Ca -0.04 0.42 -0.26 0.00 -1.01 0.00 0.00 57.07 56.18 1v5r s TYR 39 Cb -0.11 -0.04 0.03 0.00 -0.11 0.00 0.00 41.96 41.72 1v5r s TYR 39 CO -0.09 -0.13 1.43 0.50 -1.11 0.00 0.00 175.55 176.15 1v5r s ARG 40 N 0.78 3.21 -0.32 -0.62 3.52 0.76 -3.38 118.95 122.89 1v5r s ARG 40 Ca -0.06 -0.40 -0.18 0.00 -0.13 0.00 0.00 55.73 54.97 1v5r s ARG 40 Cb -0.08 -4.58 -0.01 0.00 -1.56 0.00 0.00 34.95 28.72 1v5r s ARG 40 CO -0.04 -2.30 0.52 0.08 -0.81 0.00 0.00 175.30 172.75 1v5r s VAL 41 N 6.13 5.03 0.00 7.11 1.01 -0.75 -2.92 120.40 136.01 1v5r s VAL 41 Ca 0.43 0.52 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1v5r s VAL 41 Cb -0.06 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.40 1v5r s VAL 41 CO 0.08 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.67 1v5r n GLY 42 N 4.67 1.31 0.61 4.51 0.00 -0.11 -1.81 105.19 114.36 1v5r n GLY 42 Ca -0.04 0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.33 1v5r n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1v5r n GLU 43 N 0.00 1.06 -4.03 1.61 -0.58 -1.26 -4.77 120.64 112.66 1v5r n GLU 43 Ca 0.00 -2.64 -0.09 0.00 -0.42 0.00 0.00 57.16 54.00 1v5r n GLU 43 Cb 0.00 -1.18 -0.09 0.00 -0.57 0.00 0.00 31.44 29.60 1v5r n GLU 43 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1v5r s LYS 44 N -2.23 0.93 -0.24 3.49 1.02 -0.75 -5.15 119.74 116.82 1v5r s LYS 44 Ca 0.32 -1.24 -0.05 0.00 0.02 0.00 0.00 55.97 55.01 1v5r s LYS 44 Cb 0.31 0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 37.90 1v5r s LYS 44 CO -0.05 -0.29 0.01 0.42 -0.92 0.00 0.00 175.35 174.52 1v5r s ILE 45 N -3.97 3.81 0.15 2.17 -1.09 -1.26 -1.81 121.20 119.20 1v5r s ILE 45 Ca 0.16 -0.36 0.09 0.00 -2.23 0.00 0.00 60.65 58.31 1v5r s ILE 45 Cb 0.06 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 38.13 1v5r s ILE 45 CO -0.03 0.37 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.09 1v5r s LEU 46 N 1.54 2.39 -0.47 2.97 1.43 -1.22 -5.01 118.68 120.32 1v5r s LEU 46 Ca 0.06 -0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 52.19 1v5r s LEU 46 Cb -0.15 -0.91 0.06 0.00 0.03 0.00 0.00 46.19 45.22 1v5r s LEU 46 CO 0.00 0.03 0.44 -0.36 0.23 0.00 0.00 176.35 176.69 1v5r s PHE 47 N -1.70 3.19 -0.37 0.29 0.08 -1.26 -2.98 117.98 115.24 1v5r s PHE 47 Ca 0.14 -0.73 -0.19 0.00 0.12 0.00 0.00 56.93 56.27 1v5r s PHE 47 Cb -0.07 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 1v5r s PHE 47 CO 0.06 -0.81 0.55 0.42 -0.10 0.00 0.00 175.22 175.34 1v5r s ILE 48 N 1.93 4.97 0.13 0.64 1.01 -1.21 -0.66 121.20 128.01 1v5r s ILE 48 Ca 0.08 0.30 0.07 0.00 0.00 0.00 0.00 60.65 61.09 1v5r s ILE 48 Cb -0.22 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 1v5r s ILE 48 CO 0.09 -0.30 -0.03 -0.13 0.00 0.00 0.00 174.94 174.57 1v5r s ARG 49 N 2.49 2.36 -0.19 2.79 1.81 0.43 -4.52 118.95 124.12 1v5r s ARG 49 Ca 0.20 -1.01 -0.02 0.00 -1.72 0.00 0.00 55.73 53.18 1v5r s ARG 49 Cb -0.15 -2.39 -0.01 0.00 -0.45 0.00 0.00 34.95 31.95 1v5r s ARG 49 CO 0.14 0.49 -0.08 1.41 -0.68 0.00 0.00 175.30 176.58 1v5r s MET 50 N -2.55 3.36 -0.41 3.54 1.75 -1.26 -0.75 119.30 122.97 1v5r s MET 50 Ca 0.25 -0.66 -0.29 0.00 -1.25 0.00 0.00 55.69 53.75 1v5r s MET 50 Cb -0.10 -2.85 0.01 0.00 2.84 0.00 0.00 34.83 34.73 1v5r s MET 50 CO 0.17 -0.06 1.31 -0.51 -0.65 0.00 0.00 175.02 175.29 1v5r s LEU 51 N 1.07 3.65 -0.97 4.11 1.43 0.11 -3.57 118.68 124.51 1v5r s LEU 51 Ca 0.00 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 1v5r s LEU 51 Cb -0.15 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.53 1v5r s LEU 51 CO -0.01 -1.32 0.00 1.41 0.23 0.00 0.00 176.35 176.66 1v5r n HIS 52 N 8.32 -1.21 -2.79 0.29 8.25 -1.26 0.16 115.22 126.97 1v5r n HIS 52 Ca 0.15 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.40 1v5r n HIS 52 Cb 0.48 -2.44 0.01 0.00 1.12 0.00 0.00 29.99 29.17 1v5r n HIS 52 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1v5r n ASN 53 N -1.31 -5.65 0.00 0.41 3.02 -1.23 -4.82 115.26 105.67 1v5r n ASN 53 Ca -0.12 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 1v5r n ASN 53 Cb 0.52 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 35.06 1v5r n ASN 53 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1v5r n LYS 54 N -3.56 0.00 -5.26 3.52 4.81 0.12 -5.05 118.16 112.74 1v5r n LYS 54 Ca -0.15 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 56.98 1v5r n LYS 54 Cb 0.64 -0.89 -0.16 0.00 0.02 0.00 0.00 35.03 34.64 1v5r n LYS 54 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1v5r s HIS 55 N -1.90 2.37 -0.34 5.64 3.76 -1.06 -4.95 115.29 118.81 1v5r s HIS 55 Ca 0.00 -0.41 -0.10 0.00 -0.15 0.00 0.00 55.06 54.40 1v5r s HIS 55 Cb 0.00 -1.51 0.02 0.00 1.11 0.00 0.00 32.58 32.19 1v5r s HIS 55 CO 0.00 -0.02 0.17 0.08 -0.85 0.00 0.00 174.74 174.12 1v5r s VAL 56 N -0.62 4.45 0.34 -0.90 1.01 -1.26 0.05 120.40 123.46 1v5r s VAL 56 Ca 0.10 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.42 1v5r s VAL 56 Cb -0.10 -3.40 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 1v5r s VAL 56 CO -0.01 -0.11 -0.06 -0.04 0.00 0.00 0.00 175.10 174.88 1v5r s MET 57 N 1.55 1.76 0.15 2.72 -1.94 0.07 -1.95 119.30 121.66 1v5r s MET 57 Ca 0.02 -1.92 0.06 0.00 -1.71 0.00 0.00 55.69 52.15 1v5r s MET 57 Cb -0.18 -1.50 -0.04 0.00 2.01 0.00 0.00 34.83 35.12 1v5r s MET 57 CO 0.06 0.06 -0.14 0.14 -0.01 0.00 0.00 175.02 175.13 1v5r s VAL 58 N -2.77 1.45 -0.52 -6.03 -7.23 -0.56 -0.43 120.40 104.31 1v5r s VAL 58 Ca 0.32 -1.93 -0.18 0.00 -1.81 0.00 0.00 61.98 58.39 1v5r s VAL 58 Cb 0.04 -1.75 0.08 0.00 0.56 0.00 0.00 36.38 35.31 1v5r s VAL 58 CO 0.15 -0.51 0.56 -0.60 -0.31 0.00 0.00 175.10 174.39 1v5r s ARG 59 N -3.13 3.05 -0.40 4.82 6.06 0.17 -3.07 118.95 126.45 1v5r s ARG 59 Ca 0.14 -1.20 0.05 0.00 -2.50 0.00 0.00 55.73 52.22 1v5r s ARG 59 Cb -0.03 -4.17 0.46 0.00 0.06 0.00 0.00 34.95 31.28 1v5r s ARG 59 CO 0.04 -1.24 1.43 1.33 -2.50 0.00 0.00 175.30 174.35 1v5r n VAL 60 N 5.44 2.84 0.00 7.11 0.24 -1.04 -4.25 118.33 128.67 1v5r n VAL 60 Ca -0.10 -3.85 0.00 0.00 -2.04 0.00 0.00 64.34 58.35 1v5r n VAL 60 Cb 0.44 -1.14 0.00 0.00 -1.47 0.00 0.00 33.84 31.67 1v5r n VAL 60 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1v5r n GLY 61 N -0.77 1.03 0.29 7.63 0.00 -1.26 -4.12 105.19 107.98 1v5r n GLY 61 Ca 0.49 0.50 0.17 0.00 0.00 0.00 0.00 46.02 47.18 1v5r n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v5r n GLY 62 N 0.00 -1.02 0.00 -0.02 0.00 -1.26 -4.83 105.19 98.05 1v5r n GLY 62 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1v5r n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v5r n GLY 63 N -1.37 -0.80 3.47 -0.02 0.00 -1.26 -5.15 105.19 100.06 1v5r n GLY 63 Ca 0.24 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 1v5r n GLY 63 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1v5r s TRP 64 N -3.93 2.81 0.24 1.61 0.52 -1.26 -2.48 118.94 116.45 1v5r s TRP 64 Ca 0.00 -0.28 0.03 0.00 0.02 0.00 0.00 56.10 55.86 1v5r s TRP 64 Cb 0.00 -1.74 -0.05 0.00 -1.15 0.00 0.00 33.47 30.53 1v5r s TRP 64 CO 0.00 0.07 0.04 -1.83 0.02 0.00 0.00 176.95 175.25 1v5r s GLU 65 N -0.32 1.36 -0.22 4.98 -1.05 -1.17 -4.93 118.70 117.34 1v5r s GLU 65 Ca 0.03 -1.71 -0.29 0.00 -0.15 0.00 0.00 54.97 52.86 1v5r s GLU 65 Cb -0.13 -0.47 -0.01 0.00 -0.44 0.00 0.00 34.13 33.08 1v5r s GLU 65 CO 0.02 -0.17 1.34 0.95 0.95 0.00 0.00 175.26 178.35 1v5r s THR 66 N -3.55 4.12 0.19 1.83 -4.23 -1.26 -1.50 115.64 111.23 1v5r s THR 66 Ca 0.32 1.31 -0.25 0.00 -1.18 0.00 0.00 61.69 61.89 1v5r s THR 66 Cb 0.07 -4.01 0.07 0.00 1.34 0.00 0.00 72.50 69.97 1v5r s THR 66 CO 0.10 -0.29 1.53 0.33 -0.54 0.00 0.00 174.62 175.74 1v5r n PHE 67 N 7.28 -0.22 -0.20 3.99 7.35 -0.82 0.18 117.46 135.02 1v5r n PHE 67 Ca 0.15 1.23 0.23 0.00 -0.76 0.00 0.00 57.45 58.30 1v5r n PHE 67 Cb 0.45 -0.71 0.62 0.00 0.35 0.00 0.00 39.48 40.19 1v5r n PHE 67 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1v5r h ALA 68 N 0.89 2.51 0.12 3.13 0.00 -1.91 -1.61 119.26 122.39 1v5r h ALA 68 Ca 0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1v5r h ALA 68 Cb 0.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1v5r h ALA 68 CO -0.95 -0.77 -0.06 0.78 0.00 0.00 0.00 179.25 178.25 1v5r h GLY 69 N 0.20 -0.17 1.84 0.00 0.00 0.16 -2.20 103.07 102.90 1v5r h GLY 69 Ca 0.44 0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.85 1v5r h GLY 69 CO -0.09 -0.06 0.06 -1.82 0.00 0.00 0.00 176.54 174.63 1v5r h TYR 70 N -0.65 0.00 -0.01 5.60 5.03 -0.41 -2.22 116.97 124.31 1v5r h TYR 70 Ca -0.02 0.00 -0.04 0.00 2.58 0.00 0.00 58.73 61.25 1v5r h TYR 70 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.78 1v5r h TYR 70 CO 0.07 0.00 -0.15 1.25 -1.32 0.00 0.00 178.16 178.01 1v5r h LEU 71 N 0.00 0.16 -0.95 2.82 5.85 -1.26 -3.28 115.31 118.65 1v5r h LEU 71 Ca 0.03 -0.73 0.09 0.00 0.84 0.00 0.00 57.88 58.11 1v5r h LEU 71 Cb 0.15 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 1v5r h LEU 71 CO -0.00 0.86 0.59 0.17 -0.34 0.00 0.00 178.44 179.72 1v5r h LEU 72 N -0.53 0.90 -0.34 2.25 8.10 -0.82 0.20 115.31 125.07 1v5r h LEU 72 Ca -0.02 0.03 0.07 0.00 0.11 0.00 0.00 57.88 58.07 1v5r h LEU 72 Cb 0.87 -0.16 -0.09 0.00 -0.44 0.00 0.00 40.66 40.85 1v5r h LEU 72 CO 0.03 0.54 -0.36 0.11 -4.11 0.00 0.00 178.44 174.64 1v5r h LYS 73 N 1.02 -0.30 0.06 0.17 1.57 -1.49 -2.93 116.57 114.65 1v5r h LYS 73 Ca 0.44 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1v5r h LYS 73 Cb 0.30 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1v5r h LYS 73 CO -0.21 -0.20 -0.03 0.45 -0.57 0.00 0.00 179.45 178.89 1v5r h HIS 74 N -0.32 -0.07 -2.28 -1.35 3.86 -1.53 -3.44 115.15 110.03 1v5r h HIS 74 Ca 0.14 -0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.81 1v5r h HIS 74 Cb 0.56 0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.07 1v5r h HIS 74 CO -0.54 0.53 1.30 0.34 0.86 0.00 0.00 177.93 180.42 1v5r s ASP 75 N -5.76 6.20 -0.02 2.45 -1.08 0.67 -4.89 116.67 114.24 1v5r s ASP 75 Ca -0.15 2.49 -0.26 0.00 -0.52 0.00 0.00 52.55 54.11 1v5r s ASP 75 Cb -0.00 -2.53 -0.20 0.00 -1.46 0.00 0.00 42.92 38.73 1v5r s ASP 75 CO 0.59 -1.28 1.25 1.55 0.52 0.00 0.00 175.17 177.80 1v5r h PRO 76 N 11.69 -0.03 -0.60 4.34 0.13 -1.85 -2.52 132.00 143.17 1v5r h PRO 76 Ca -0.48 0.00 0.15 0.00 -0.87 0.00 0.00 66.00 64.81 1v5r h PRO 76 Cb 1.24 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 1v5r h PRO 76 CO 0.95 0.44 0.42 0.00 -0.23 0.00 0.00 178.00 179.58 1v5r h ARG 78 N 0.11 0.15 -0.80 0.00 3.08 -1.83 -3.18 114.38 111.91 1v5r h ARG 78 Ca 0.29 -0.14 0.23 0.00 0.07 0.00 0.00 59.98 60.43 1v5r h ARG 78 Cb 0.98 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.04 1v5r h ARG 78 CO -0.03 0.84 1.08 1.98 -1.07 0.00 0.00 179.97 182.77 1v5r h MET 79 N -0.49 0.00 -1.72 0.04 4.05 -0.85 0.22 114.93 116.19 1v5r h MET 79 Ca -0.02 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.31 1v5r h MET 79 Cb 0.90 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.66 1v5r h MET 79 CO 0.04 0.00 0.12 1.28 0.23 0.00 0.00 176.91 178.57 1v5r n LEU 80 N -3.19 5.32 0.00 3.39 4.77 -1.20 -4.17 117.00 121.91 1v5r n LEU 80 Ca 0.18 -2.52 0.00 0.00 -0.03 0.00 0.00 56.01 53.64 1v5r n LEU 80 Cb 1.33 -1.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1v5r n LEU 80 CO 0.21 0.99 0.00 0.00 -1.33 0.00 0.00 177.39 177.26 1v5r n GLN 81 N 1.02 0.00 -2.03 3.23 6.02 0.79 -5.05 117.38 121.36 1v5r n GLN 81 Ca 0.09 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.75 1v5r n GLN 81 Cb 0.55 -0.24 0.01 0.00 1.02 0.00 0.00 30.24 31.57 1v5r n GLN 81 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1v5r s ILE 82 N -0.86 4.06 -0.19 5.09 2.07 -1.26 -5.03 121.20 125.08 1v5r s ILE 82 Ca 0.00 0.91 -0.17 0.00 -1.41 0.00 0.00 60.65 59.98 1v5r s ILE 82 Cb 0.00 -3.49 -0.04 0.00 0.13 0.00 0.00 42.46 39.06 1v5r s ILE 82 CO 0.00 -0.64 0.45 -0.55 -1.91 0.00 0.00 174.94 172.29 1v5r s SER 83 N -3.10 6.51 0.07 4.50 0.15 -1.26 -5.07 113.70 115.50 1v5r s SER 83 Ca 0.61 0.61 0.07 0.00 0.70 0.00 0.00 55.95 57.93 1v5r s SER 83 Cb -0.14 -2.26 -0.03 0.00 -1.71 0.00 0.00 66.02 61.88 1v5r s SER 83 CO 0.40 -0.11 -0.18 0.00 1.20 0.00 0.00 173.24 174.55 1v5r s ARG 84 N 1.38 1.05 -0.19 5.44 1.04 -1.26 -5.06 118.95 121.36 1v5r s ARG 84 Ca 0.22 -1.01 -0.10 0.00 -1.04 0.00 0.00 55.73 53.80 1v5r s ARG 84 Cb -0.15 -1.18 -0.21 0.00 -2.04 0.00 0.00 34.95 31.37 1v5r s ARG 84 CO 0.09 0.28 0.13 1.55 -0.04 0.00 0.00 175.30 177.31 1v5r n VAL 85 N 1.38 1.64 -4.32 4.99 3.14 -1.26 -4.97 118.33 118.93 1v5r n VAL 85 Ca -0.19 -0.45 -0.26 0.00 -2.96 0.00 0.00 64.34 60.47 1v5r n VAL 85 Cb 0.54 -1.77 -0.10 0.00 -1.06 0.00 0.00 33.84 31.45 1v5r n VAL 85 CO 0.00 0.00 0.00 1.51 -6.46 0.00 0.00 176.83 171.88 1v5r s ASP 86 N -6.96 4.11 0.00 6.55 1.47 -1.26 -5.14 116.67 115.45 1v5r s ASP 86 Ca -0.28 -0.64 -0.28 0.00 1.18 0.00 0.00 52.55 52.52 1v5r s ASP 86 Cb 0.08 -0.64 0.08 0.00 -0.34 0.00 0.00 42.92 42.10 1v5r s ASP 86 CO 0.66 0.10 0.71 -0.83 0.68 0.00 0.00 175.17 176.49 1v5r s GLY 87 N -2.87 -0.55 0.39 2.12 0.00 -1.26 -5.18 107.32 99.97 1v5r s GLY 87 Ca 0.25 1.13 0.05 0.00 0.00 0.00 0.00 44.72 46.14 1v5r s GLY 87 CO 0.15 0.67 0.17 -1.59 0.00 0.00 0.00 173.10 172.50 1v5r s LYS 88 N -2.11 1.88 -0.03 2.90 -2.85 -1.26 -5.18 119.74 113.09 1v5r s LYS 88 Ca -0.05 -2.13 -0.11 0.00 -1.00 0.00 0.00 55.97 52.68 1v5r s LYS 88 Cb -0.00 -0.34 0.02 0.00 -2.06 0.00 0.00 37.83 35.45 1v5r s LYS 88 CO 0.01 -0.53 0.25 0.99 0.10 0.00 0.00 175.35 176.17 1v5r s THR 89 N -3.29 0.05 -0.12 3.79 2.01 -1.26 -5.15 115.64 111.67 1v5r s THR 89 Ca 0.28 -0.44 -0.03 0.00 0.31 0.00 0.00 61.69 61.82 1v5r s THR 89 Cb 0.02 -0.51 0.04 0.00 0.01 0.00 0.00 72.50 72.07 1v5r s THR 89 CO 0.18 -0.24 0.04 -0.44 -0.69 0.00 0.00 174.62 173.47 1v5r s SER 90 N -1.02 2.07 0.88 3.53 0.01 -1.26 -5.15 113.70 112.77 1v5r s SER 90 Ca -0.11 -0.39 -0.11 0.00 1.31 0.00 0.00 55.95 56.65 1v5r s SER 90 Cb -0.05 -0.40 0.12 0.00 0.21 0.00 0.00 66.02 65.90 1v5r s SER 90 CO 0.03 -0.27 1.09 -2.16 0.41 0.00 0.00 173.24 172.34 1v5r s PRO 91 N 2.00 1.36 0.11 12.44 0.04 -1.26 -5.08 135.00 144.62 1v5r s PRO 91 Ca 0.03 0.86 0.07 0.00 0.04 0.00 0.00 61.00 62.00 1v5r s PRO 91 Cb -0.14 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1v5r s PRO 91 CO -0.06 -2.18 -0.17 -1.54 0.04 0.00 0.00 177.00 173.09 1v5r s SER 92 N -3.41 2.20 -0.01 6.66 1.04 -1.26 -5.13 113.70 113.78 1v5r s SER 92 Ca 0.63 -0.73 -0.24 0.00 0.48 0.00 0.00 55.95 56.09 1v5r s SER 92 Cb -0.18 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.80 1v5r s SER 92 CO 0.57 -0.05 0.74 -0.83 0.98 0.00 0.00 173.24 174.65 1v5r s GLY 93 N -2.14 2.71 0.00 7.32 0.00 -1.26 -4.94 107.32 109.01 1v5r s GLY 93 Ca 0.06 0.21 0.15 0.00 0.00 0.00 0.00 44.72 45.15 1v5r s GLY 93 CO 0.04 1.14 1.40 -1.55 0.00 0.00 0.00 173.10 174.13 1v5r n PRO 94 N 3.29 0.22 -1.55 2.90 -0.04 -1.26 -4.64 135.00 133.93 1v5r n PRO 94 Ca -0.02 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1v5r n PRO 94 Cb 0.51 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.37 1v5r n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v5r n SER 95 N -1.27 1.31 -3.64 3.54 2.88 -1.26 -4.72 113.62 110.45 1v5r n SER 95 Ca 0.07 -2.00 0.01 0.00 -1.33 0.00 0.00 58.87 55.62 1v5r n SER 95 Cb 0.11 -1.63 -0.00 0.00 -0.75 0.00 0.00 64.21 61.94 1v5r n SER 95 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1v5r s SER 96 N 8.93 -0.06 0.00 -3.46 1.04 -1.26 -5.28 113.70 113.61 1v5r s SER 96 Ca 0.85 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1v5r s SER 96 Cb -0.10 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1v5r s SER 96 CO 0.15 -0.39 0.19 0.61 0.98 0.00 0.00 173.24 174.78