#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5r s SER 2 N 0.00 6.47 -0.64 1.61 0.15 -1.26 -4.96 113.70 115.07 1v5r s SER 2 Ca 0.00 2.75 0.05 0.00 0.70 0.00 0.00 55.95 59.44 1v5r s SER 2 Cb 0.00 -2.59 0.16 0.00 -1.71 0.00 0.00 66.02 61.87 1v5r s SER 2 CO 0.00 -0.91 0.42 -0.44 1.20 0.00 0.00 173.24 173.50 1v5r s SER 3 N 1.32 4.57 0.00 5.45 0.01 -1.26 -3.97 113.70 119.82 1v5r s SER 3 Ca 0.73 -3.57 0.00 0.00 1.31 0.00 0.00 55.95 54.42 1v5r s SER 3 Cb -0.47 -1.59 0.00 0.00 0.21 0.00 0.00 66.02 64.17 1v5r s SER 3 CO 0.32 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.45 1v5r n GLY 4 N 2.35 0.78 0.16 3.44 0.00 -1.26 -4.87 105.19 105.78 1v5r n GLY 4 Ca 0.16 0.42 -0.04 0.00 0.00 0.00 0.00 46.02 46.55 1v5r n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1v5r h SER 5 N 0.00 -0.78 0.04 1.61 4.64 -2.05 -3.03 113.55 113.98 1v5r h SER 5 Ca 0.00 0.12 -0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1v5r h SER 5 Cb 0.00 0.34 0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1v5r h SER 5 CO 0.00 -0.10 -0.26 0.28 -0.87 0.00 0.00 176.83 175.88 1v5r h SER 6 N -0.03 0.16 0.00 4.97 0.02 -1.96 -3.48 113.55 113.23 1v5r h SER 6 Ca 0.05 -0.96 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 1v5r h SER 6 Cb 0.17 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1v5r h SER 6 CO -0.32 1.11 0.00 0.61 -1.14 0.00 0.00 176.83 177.09 1v5r n GLY 7 N 1.56 3.10 2.86 -3.77 0.00 -1.15 -4.01 105.19 103.79 1v5r n GLY 7 Ca -0.11 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 -4.00 4.21 -0.15 1.61 0.01 -1.26 -4.88 114.94 110.49 1v5r s ASN 8 Ca 0.00 -2.37 -0.23 0.00 -0.71 0.00 0.00 52.86 49.56 1v5r s ASN 8 Cb 0.00 -1.31 -0.20 0.00 0.41 0.00 0.00 41.25 40.15 1v5r s ASN 8 CO 0.00 -0.32 0.53 0.25 -1.51 0.00 0.00 177.10 176.04 1v5r h LEU 9 N 7.23 0.00 -0.75 0.60 5.85 -1.99 -3.29 115.31 122.95 1v5r h LEU 9 Ca -0.06 -0.73 0.17 0.00 0.84 0.00 0.00 57.88 58.10 1v5r h LEU 9 Cb 0.96 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.88 1v5r h LEU 9 CO 0.54 1.00 0.13 0.25 -0.34 0.00 0.00 178.44 180.02 1v5r h LEU 10 N -1.00 -0.10 0.13 2.25 5.85 -1.94 -2.42 115.31 118.08 1v5r h LEU 10 Ca -0.06 0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 1v5r h LEU 10 Cb 0.88 0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1v5r h LEU 10 CO -0.04 -0.09 -0.20 -0.78 -0.34 0.00 0.00 178.44 176.99 1v5r h ASP 11 N 0.21 -0.57 -0.72 1.25 3.58 -1.92 -1.21 116.42 117.04 1v5r h ASP 11 Ca 0.43 0.05 0.26 0.00 0.42 0.00 0.00 57.03 58.19 1v5r h ASP 11 Cb 0.76 0.20 -0.13 0.00 1.72 0.00 0.00 39.33 41.87 1v5r h ASP 11 CO -0.57 -0.24 0.24 -0.67 -2.88 0.00 0.00 179.24 175.13 1v5r n ASP 12 N -3.54 0.12 0.28 2.28 2.03 -0.93 0.28 116.55 117.07 1v5r n ASP 12 Ca -0.04 1.21 -0.13 0.00 0.52 0.00 0.00 54.79 56.35 1v5r n ASP 12 Cb 0.17 -0.53 -0.06 0.00 -0.72 0.00 0.00 41.12 39.98 1v5r n ASP 12 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1v5r h ALA 13 N 1.44 -0.75 -0.54 -1.67 0.00 -1.19 -0.95 119.26 115.61 1v5r h ALA 13 Ca 0.54 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.38 1v5r h ALA 13 Cb 1.34 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 19.33 1v5r h ALA 13 CO -0.60 -0.72 0.01 0.28 0.00 0.00 0.00 179.25 178.22 1v5r h VAL 14 N -1.15 0.58 -0.24 0.00 2.07 0.10 0.21 116.25 117.82 1v5r h VAL 14 Ca -0.08 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1v5r h VAL 14 Cb 0.61 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1v5r h VAL 14 CO 0.13 0.02 0.15 0.50 0.02 0.00 0.00 177.57 178.38 1v5r h LYS 15 N 0.12 0.33 0.94 1.57 3.64 -0.66 -1.34 116.57 121.18 1v5r h LYS 15 Ca 0.27 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.58 1v5r h LYS 15 Cb 0.42 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1v5r h LYS 15 CO -0.45 0.27 -0.47 0.00 -2.27 0.00 0.00 179.45 176.54 1v5r h ARG 16 N 0.30 -1.24 -0.78 1.90 3.08 -0.20 -0.43 114.38 117.03 1v5r h ARG 16 Ca 0.09 0.08 0.18 0.00 0.07 0.00 0.00 59.98 60.40 1v5r h ARG 16 Cb 0.02 0.28 -0.12 0.00 0.08 0.00 0.00 29.97 30.24 1v5r h ARG 16 CO -0.02 -0.82 0.21 0.82 -1.07 0.00 0.00 179.97 179.09 1v5r h ILE 17 N -1.28 0.48 -0.28 2.04 2.04 -0.60 0.39 117.51 120.30 1v5r h ILE 17 Ca -0.13 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 1v5r h ILE 17 Cb 0.99 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1v5r h ILE 17 CO 0.20 0.05 -0.06 0.77 0.00 0.00 0.00 178.15 179.11 1v5r h SER 18 N 0.28 0.41 -0.80 1.72 4.64 -1.06 -2.32 113.55 116.43 1v5r h SER 18 Ca 0.45 -0.09 -0.35 0.00 -0.47 0.00 0.00 61.79 61.33 1v5r h SER 18 Cb 0.79 -0.11 -0.21 0.00 -0.31 0.00 0.00 62.40 62.56 1v5r h SER 18 CO -0.53 0.53 0.40 -0.62 -0.87 0.00 0.00 176.83 175.74 1v5r n GLU 19 N -4.26 2.70 -3.15 4.77 1.02 0.10 -4.45 120.64 117.38 1v5r n GLU 19 Ca 0.01 -3.06 0.05 0.00 -0.02 0.00 0.00 57.16 54.14 1v5r n GLU 19 Cb 0.27 -2.13 -0.01 0.00 -0.02 0.00 0.00 31.44 29.55 1v5r n GLU 19 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1v5r s ASP 20 N -1.42 -0.64 0.46 1.62 1.01 0.62 -3.76 116.67 114.55 1v5r s ASP 20 Ca 0.54 0.23 -0.23 0.00 0.71 0.00 0.00 52.55 53.80 1v5r s ASP 20 Cb 0.45 1.47 -0.07 0.00 1.01 0.00 0.00 42.92 45.78 1v5r s ASP 20 CO 0.10 -0.12 1.17 -2.16 0.21 0.00 0.00 175.17 174.37 1v5r s PRO 21 N 2.93 3.78 0.11 8.23 0.04 -1.26 -4.43 135.00 144.40 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 -0.07 -2.43 -0.08 0.00 0.04 0.00 0.00 34.50 31.97 1v5r s PRO 21 CO -0.18 -0.54 1.36 -1.25 0.04 0.00 0.00 177.00 176.43 1v5r s PRO 22 N -2.67 4.34 -0.23 0.56 0.04 -1.25 -4.89 135.00 130.90 1v5r s PRO 22 Ca 0.63 2.03 -0.38 0.00 0.04 0.00 0.00 61.00 63.32 1v5r s PRO 22 Cb -0.29 -3.27 -0.14 0.00 0.04 0.00 0.00 34.50 30.85 1v5r s PRO 22 CO 0.35 -0.41 1.82 0.00 0.04 0.00 0.00 177.00 178.80 1v5r h LYS 24 N 8.22 0.53 -6.18 0.00 1.79 -1.91 -3.46 116.57 115.57 1v5r h LYS 24 Ca -0.46 -0.31 -0.58 0.00 -2.18 0.00 0.00 60.65 57.13 1v5r h LYS 24 Cb 1.30 0.02 0.20 0.00 -1.58 0.00 0.00 32.23 32.18 1v5r h LYS 24 CO 0.96 0.91 -1.14 0.00 -1.08 0.00 0.00 179.45 179.10 1v5r n PRO 26 N 1.16 0.49 -3.74 0.00 -0.04 -1.26 -4.53 135.00 127.07 1v5r n PRO 26 Ca 0.06 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.32 1v5r n PRO 26 Cb 0.50 -1.31 -0.17 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.07 0.48 0.52 2.01 -1.26 -5.14 115.64 110.31 1v5r s THR 27 Ca 0.14 0.28 -0.20 0.00 0.31 0.00 0.00 61.69 62.23 1v5r s THR 27 Cb 0.07 -0.27 -0.09 0.00 0.01 0.00 0.00 72.50 72.22 1v5r s THR 27 CO 0.11 0.19 1.00 -0.75 -0.69 0.00 0.00 174.62 174.48 1v5r s LYS 28 N 1.86 3.91 1.41 4.92 2.47 -1.26 -4.97 119.74 128.09 1v5r s LYS 28 Ca 0.02 1.22 -0.22 0.00 -1.56 0.00 0.00 55.97 55.42 1v5r s LYS 28 Cb -0.12 -2.12 0.36 0.00 -1.46 0.00 0.00 37.83 34.49 1v5r s LYS 28 CO -0.03 -0.31 0.94 0.12 0.16 0.00 0.00 175.35 176.22 1v5r s PHE 29 N -2.17 -0.54 -0.40 4.03 5.36 -1.26 -4.98 117.98 118.02 1v5r s PHE 29 Ca 0.64 0.59 -0.10 0.00 -0.96 0.00 0.00 56.93 57.10 1v5r s PHE 29 Cb -0.13 -2.93 0.06 0.00 -0.34 0.00 0.00 43.02 39.68 1v5r s PHE 29 CO 0.21 -4.93 0.25 0.00 -1.46 0.00 0.00 175.22 169.28 1v5r s VAL 31 N 1.50 0.12 -0.08 0.00 1.01 -1.15 -2.15 120.40 119.65 1v5r s VAL 31 Ca 0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1v5r s VAL 31 Cb -0.21 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.46 1v5r s VAL 31 CO 0.04 -0.26 0.02 -0.70 0.00 0.00 0.00 175.10 174.20 1v5r s GLU 32 N 2.04 0.48 -0.07 2.72 2.56 -1.13 -4.91 118.70 120.40 1v5r s GLU 32 Ca 0.01 0.12 -0.30 0.00 0.00 0.00 0.00 54.97 54.80 1v5r s GLU 32 Cb -0.16 -0.98 -0.05 0.00 2.00 0.00 0.00 34.13 34.93 1v5r s GLU 32 CO -0.09 -0.34 1.67 0.50 -0.56 0.00 0.00 175.26 176.44 1v5r s ARG 33 N 2.00 4.13 -0.22 4.30 3.52 -1.26 -0.26 118.95 131.16 1v5r s ARG 33 Ca 0.05 2.15 -0.05 0.00 -0.13 0.00 0.00 55.73 57.75 1v5r s ARG 33 Cb -0.13 -4.00 -0.19 0.00 -1.56 0.00 0.00 34.95 29.08 1v5r s ARG 33 CO -0.05 -0.91 -0.06 1.28 -0.81 0.00 0.00 175.30 174.75 1v5r n LEU 34 N 7.33 2.64 -4.22 -0.88 4.32 0.07 -4.95 117.00 121.31 1v5r n LEU 34 Ca 0.18 0.07 -0.18 0.00 -0.02 0.00 0.00 56.01 56.06 1v5r n LEU 34 Cb 0.43 -0.96 -0.07 0.00 -1.62 0.00 0.00 43.42 41.20 1v5r n LEU 34 CO 0.63 0.81 -0.05 -0.44 -1.22 0.00 0.00 177.39 177.12 1v5r s SER 35 N -6.84 1.35 0.25 -1.43 0.01 -1.09 -4.97 113.70 100.99 1v5r s SER 35 Ca -0.32 -1.65 -0.07 0.00 1.31 0.00 0.00 55.95 55.21 1v5r s SER 35 Cb 0.09 0.58 0.44 0.00 0.21 0.00 0.00 66.02 67.34 1v5r s SER 35 CO 0.63 -1.12 1.61 -0.61 0.41 0.00 0.00 173.24 174.16 1v5r h GLN 36 N 2.16 0.04 -1.08 12.44 4.15 -2.00 -2.16 115.11 128.66 1v5r h GLN 36 Ca -0.27 -0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.62 1v5r h GLN 36 Cb 1.24 -0.01 -0.42 0.00 0.21 0.00 0.00 27.48 28.49 1v5r h GLN 36 CO 0.38 0.03 -0.84 0.41 -1.93 0.00 0.00 178.83 176.88 1v5r n GLY 37 N -1.48 5.47 2.91 2.39 0.00 -1.26 -4.92 105.19 108.30 1v5r n GLY 37 Ca 0.14 -2.47 -0.13 0.00 0.00 0.00 0.00 46.02 43.56 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 -3.55 0.07 -0.08 1.61 3.52 -0.82 -3.23 118.95 116.47 1v5r s ARG 38 Ca 0.46 0.21 -0.06 0.00 -0.13 0.00 0.00 55.73 56.22 1v5r s ARG 38 Cb 0.40 -0.08 0.03 0.00 -1.56 0.00 0.00 34.95 33.74 1v5r s ARG 38 CO -0.07 -0.09 0.21 0.71 -0.81 0.00 0.00 175.30 175.25 1v5r s TYR 39 N 0.61 -0.25 -0.86 5.12 1.51 -1.18 -0.75 117.35 121.55 1v5r s TYR 39 Ca -0.05 0.61 -0.25 0.00 -1.01 0.00 0.00 57.07 56.37 1v5r s TYR 39 Cb -0.06 0.04 0.03 0.00 -0.11 0.00 0.00 41.96 41.85 1v5r s TYR 39 CO -0.02 -0.16 1.44 0.50 -1.11 0.00 0.00 175.55 176.19 1v5r s ARG 40 N 0.69 3.27 -0.14 -0.62 3.52 0.65 -3.28 118.95 123.04 1v5r s ARG 40 Ca -0.05 -0.55 -0.07 0.00 -0.13 0.00 0.00 55.73 54.93 1v5r s ARG 40 Cb -0.06 -4.74 -0.04 0.00 -1.56 0.00 0.00 34.95 28.55 1v5r s ARG 40 CO -0.04 -2.30 0.13 0.08 -0.81 0.00 0.00 175.30 172.36 1v5r s VAL 41 N 5.95 5.38 -0.83 7.11 1.01 0.12 -2.82 120.40 136.32 1v5r s VAL 41 Ca 0.44 0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.40 1v5r s VAL 41 Cb -0.05 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.99 1v5r s VAL 41 CO 0.04 0.56 0.50 0.61 0.00 0.00 0.00 175.10 176.81 1v5r n GLY 42 N 2.46 -0.75 3.82 4.51 0.00 -0.91 0.19 105.19 114.52 1v5r n GLY 42 Ca -0.19 0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1v5r n GLY 42 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1v5r n GLU 43 N -3.48 -2.54 -3.93 1.61 0.28 -1.26 -4.91 120.64 106.41 1v5r n GLU 43 Ca -0.14 0.29 -0.10 0.00 -0.16 0.00 0.00 57.16 57.06 1v5r n GLU 43 Cb 0.46 -4.95 -0.10 0.00 1.43 0.00 0.00 31.44 28.28 1v5r n GLU 43 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1v5r s LYS 44 N -6.48 0.42 -0.45 3.44 1.02 0.51 -5.13 119.74 113.07 1v5r s LYS 44 Ca 0.57 -0.55 -0.14 0.00 0.02 0.00 0.00 55.97 55.87 1v5r s LYS 44 Cb -0.32 0.16 0.06 0.00 -0.52 0.00 0.00 37.83 37.22 1v5r s LYS 44 CO 0.70 -0.09 0.35 0.42 -0.92 0.00 0.00 175.35 175.81 1v5r s ILE 45 N -1.61 5.02 0.00 2.17 -1.09 -1.26 0.13 121.20 124.57 1v5r s ILE 45 Ca -0.14 -1.06 0.08 0.00 -2.23 0.00 0.00 60.65 57.30 1v5r s ILE 45 Cb -0.08 -3.97 -0.02 0.00 -1.58 0.00 0.00 42.46 36.81 1v5r s ILE 45 CO -0.00 -0.51 -0.25 -0.76 -1.23 0.00 0.00 174.94 172.18 1v5r s LEU 46 N 1.60 2.13 -0.58 2.97 1.43 -1.20 -5.01 118.68 120.02 1v5r s LEU 46 Ca 0.04 -0.50 -0.22 0.00 -1.03 0.00 0.00 54.13 52.42 1v5r s LEU 46 Cb -0.23 -1.34 0.07 0.00 0.03 0.00 0.00 46.19 44.72 1v5r s LEU 46 CO 0.06 0.30 0.83 -0.36 0.23 0.00 0.00 176.35 177.42 1v5r s PHE 47 N -0.69 2.85 -0.10 0.29 0.08 -1.25 -3.12 117.98 116.03 1v5r s PHE 47 Ca 0.11 -0.48 -0.19 0.00 0.12 0.00 0.00 56.93 56.49 1v5r s PHE 47 Cb -0.10 -4.01 -0.04 0.00 -0.57 0.00 0.00 43.02 38.30 1v5r s PHE 47 CO 0.00 -1.37 0.52 0.42 -0.10 0.00 0.00 175.22 174.69 1v5r s ILE 48 N 3.47 5.14 0.43 0.64 1.01 -1.20 -0.63 121.20 130.06 1v5r s ILE 48 Ca 0.21 1.05 0.05 0.00 0.00 0.00 0.00 60.65 61.96 1v5r s ILE 48 Cb -0.18 -3.86 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 1v5r s ILE 48 CO 0.12 0.33 0.02 0.00 0.00 0.00 0.00 174.94 175.41 1v5r s ARG 49 N 0.54 2.01 -0.24 2.79 1.70 0.28 -4.60 118.95 121.41 1v5r s ARG 49 Ca 0.28 -2.19 -0.00 0.00 -0.47 0.00 0.00 55.73 53.35 1v5r s ARG 49 Cb -0.16 -1.51 0.07 0.00 -0.57 0.00 0.00 34.95 32.79 1v5r s ARG 49 CO 0.12 -0.17 0.01 1.41 -1.08 0.00 0.00 175.30 175.59 1v5r s MET 50 N -3.78 1.15 -0.29 3.89 1.75 -1.26 -2.12 119.30 118.65 1v5r s MET 50 Ca 0.26 -0.90 -0.29 0.00 -1.25 0.00 0.00 55.69 53.51 1v5r s MET 50 Cb 0.07 -2.37 -0.02 0.00 2.84 0.00 0.00 34.83 35.36 1v5r s MET 50 CO 0.13 -0.71 1.60 -0.51 -0.65 0.00 0.00 175.02 174.88 1v5r s LEU 51 N 1.54 3.74 -1.23 4.11 1.43 0.41 -3.17 118.68 125.52 1v5r s LEU 51 Ca -0.00 1.38 -0.08 0.00 -1.03 0.00 0.00 54.13 54.39 1v5r s LEU 51 Cb -0.18 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.57 1v5r s LEU 51 CO -0.11 -1.38 0.43 1.41 0.23 0.00 0.00 176.35 176.93 1v5r n HIS 52 N 8.89 -1.75 -3.41 0.29 8.25 -1.26 -0.31 115.22 125.93 1v5r n HIS 52 Ca 0.19 0.41 -0.23 0.00 -0.26 0.00 0.00 57.72 57.83 1v5r n HIS 52 Cb 0.46 -2.84 -0.01 0.00 1.12 0.00 0.00 29.99 28.72 1v5r n HIS 52 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1v5r n ASN 53 N -2.22 -3.17 0.00 0.41 6.94 -1.19 -4.72 115.26 111.31 1v5r n ASN 53 Ca -0.02 -0.39 0.00 0.00 -0.02 0.00 0.00 54.58 54.14 1v5r n ASN 53 Cb 0.54 -2.66 0.00 0.00 -2.36 0.00 0.00 39.78 35.31 1v5r n ASN 53 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1v5r n LYS 54 N -3.62 0.36 -4.38 -3.83 5.02 0.58 -5.08 118.16 107.20 1v5r n LYS 54 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.00 1v5r n LYS 54 Cb 0.53 -0.80 -0.12 0.00 -0.02 0.00 0.00 35.03 34.62 1v5r n LYS 54 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1v5r s HIS 55 N -1.59 2.54 -0.36 2.13 3.76 -0.83 -4.96 115.29 115.97 1v5r s HIS 55 Ca 0.00 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 54.66 1v5r s HIS 55 Cb 0.00 -1.37 0.10 0.00 1.11 0.00 0.00 32.58 32.42 1v5r s HIS 55 CO 0.00 0.36 0.10 0.08 -0.85 0.00 0.00 174.74 174.43 1v5r s VAL 56 N -1.10 2.63 0.35 -0.90 1.01 -1.26 -0.44 120.40 120.69 1v5r s VAL 56 Ca 0.17 -2.24 0.08 0.00 0.00 0.00 0.00 61.98 59.99 1v5r s VAL 56 Cb -0.11 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1v5r s VAL 56 CO 0.09 -0.63 0.23 -0.04 0.00 0.00 0.00 175.10 174.75 1v5r s MET 57 N 0.99 2.53 0.31 2.72 -1.94 -0.90 -1.19 119.30 121.81 1v5r s MET 57 Ca 0.10 -1.45 0.08 0.00 -1.71 0.00 0.00 55.69 52.71 1v5r s MET 57 Cb -0.20 -2.32 -0.06 0.00 2.01 0.00 0.00 34.83 34.26 1v5r s MET 57 CO -0.07 0.06 -0.09 0.14 -0.01 0.00 0.00 175.02 175.06 1v5r s VAL 58 N -2.39 1.98 -0.37 -6.03 -7.23 0.03 -0.56 120.40 105.83 1v5r s VAL 58 Ca 0.40 -2.19 -0.08 0.00 -1.81 0.00 0.00 61.98 58.31 1v5r s VAL 58 Cb -0.04 -2.51 0.05 0.00 0.56 0.00 0.00 36.38 34.45 1v5r s VAL 58 CO 0.25 -0.28 0.17 -0.60 -0.31 0.00 0.00 175.10 174.33 1v5r s ARG 59 N -3.65 2.60 0.40 4.82 3.00 0.20 -3.31 118.95 123.01 1v5r s ARG 59 Ca 0.31 -1.29 0.05 0.00 -1.00 0.00 0.00 55.73 53.79 1v5r s ARG 59 Cb 0.02 -3.60 0.05 0.00 0.00 0.00 0.00 34.95 31.42 1v5r s ARG 59 CO 0.14 -0.78 0.37 1.33 0.00 0.00 0.00 175.30 176.36 1v5r n VAL 60 N 4.85 0.00 -0.29 7.11 0.24 -0.98 -3.96 118.33 125.30 1v5r n VAL 60 Ca -0.11 -1.52 -0.01 0.00 -2.04 0.00 0.00 64.34 60.66 1v5r n VAL 60 Cb 0.44 -0.30 0.02 0.00 -1.47 0.00 0.00 33.84 32.54 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 0.15 -1.57 2.83 7.63 0.00 -1.26 -3.85 105.19 109.11 1v5r n GLY 61 Ca 0.02 0.85 -0.11 0.00 0.00 0.00 0.00 46.02 46.78 1v5r n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1v5r s GLY 62 N -3.49 -0.41 0.00 -0.02 0.00 -1.26 -5.13 107.32 97.00 1v5r s GLY 62 Ca -0.10 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1v5r s GLY 62 CO 0.53 3.07 0.00 0.61 0.00 0.00 0.00 173.10 177.31 1v5r n GLY 63 N 3.86 1.71 2.88 0.20 0.00 -1.25 -5.10 105.19 107.48 1v5r n GLY 63 Ca 0.15 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.32 0.90 0.42 1.61 0.52 -1.26 -2.32 118.94 117.49 1v5r s TRP 64 Ca 0.00 -0.30 0.06 0.00 0.02 0.00 0.00 56.10 55.88 1v5r s TRP 64 Cb 0.00 -0.81 -0.07 0.00 -1.15 0.00 0.00 33.47 31.44 1v5r s TRP 64 CO 0.00 -0.27 0.01 -1.83 0.02 0.00 0.00 176.95 174.88 1v5r s GLU 65 N 1.24 1.99 -0.24 4.98 -1.05 -1.21 -4.86 118.70 119.56 1v5r s GLU 65 Ca -0.06 -2.15 -0.29 0.00 -0.15 0.00 0.00 54.97 52.32 1v5r s GLU 65 Cb -0.14 -1.58 -0.01 0.00 -0.44 0.00 0.00 34.13 31.97 1v5r s GLU 65 CO -0.02 -0.11 1.29 0.95 0.95 0.00 0.00 175.26 178.32 1v5r s THR 66 N -2.77 4.19 0.28 1.83 -4.23 -1.26 -0.79 115.64 112.90 1v5r s THR 66 Ca 0.30 1.39 0.07 0.00 -1.18 0.00 0.00 61.69 62.27 1v5r s THR 66 Cb 0.08 -4.08 0.34 0.00 1.34 0.00 0.00 72.50 70.18 1v5r s THR 66 CO 0.15 -0.33 1.35 0.33 -0.54 0.00 0.00 174.62 175.59 1v5r n PHE 67 N 7.22 0.70 -0.12 3.99 7.35 -0.33 0.16 117.46 136.43 1v5r n PHE 67 Ca 0.14 1.03 -0.09 0.00 -0.76 0.00 0.00 57.45 57.78 1v5r n PHE 67 Cb 0.46 -1.24 -0.01 0.00 0.35 0.00 0.00 39.48 39.04 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 1.72 0.49 -0.87 3.13 0.00 -1.90 -1.86 119.26 119.98 1v5r h ALA 68 Ca 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.42 1v5r h ALA 68 Cb 1.36 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1v5r h ALA 68 CO -0.76 0.01 0.51 0.78 0.00 0.00 0.00 179.25 179.79 1v5r h GLY 69 N 0.49 1.27 1.61 0.00 0.00 0.12 -1.29 103.07 105.28 1v5r h GLY 69 Ca 0.13 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 1v5r h GLY 69 CO -0.02 0.52 -0.17 -1.82 0.00 0.00 0.00 176.54 175.05 1v5r h TYR 70 N 1.20 0.51 -0.14 5.60 5.03 -0.99 -2.73 116.97 125.44 1v5r h TYR 70 Ca 0.31 -0.09 -0.07 0.00 2.58 0.00 0.00 58.73 61.46 1v5r h TYR 70 Cb -0.03 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.12 1v5r h TYR 70 CO 0.00 0.62 -0.18 1.25 -1.32 0.00 0.00 178.16 178.53 1v5r h LEU 71 N 0.43 0.41 -1.04 2.82 5.85 -0.82 -3.15 115.31 119.81 1v5r h LEU 71 Ca 0.07 -0.50 0.10 0.00 0.84 0.00 0.00 57.88 58.39 1v5r h LEU 71 Cb 0.54 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 1v5r h LEU 71 CO 0.04 0.83 0.63 0.17 -0.34 0.00 0.00 178.44 179.77 1v5r h LEU 72 N -0.00 0.94 0.41 2.25 8.10 -1.13 0.26 115.31 126.14 1v5r h LEU 72 Ca 0.02 0.03 -0.01 0.00 0.11 0.00 0.00 57.88 58.04 1v5r h LEU 72 Cb 0.73 -0.16 -0.03 0.00 -0.44 0.00 0.00 40.66 40.76 1v5r h LEU 72 CO 0.04 0.53 -0.48 0.11 -4.11 0.00 0.00 178.44 174.54 1v5r h LYS 73 N 1.03 -0.88 0.01 0.17 1.57 -1.45 -3.11 116.57 113.91 1v5r h LYS 73 Ca 0.47 0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 59.31 1v5r h LYS 73 Cb 0.40 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1v5r h LYS 73 CO -0.23 -0.59 -0.01 0.45 -0.57 0.00 0.00 179.45 178.51 1v5r h HIS 74 N -0.91 -0.02 -2.76 -1.35 3.86 -1.47 -3.42 115.15 109.09 1v5r h HIS 74 Ca -0.04 -0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.61 1v5r h HIS 74 Cb 0.82 0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.27 1v5r h HIS 74 CO -0.28 0.27 1.04 0.34 0.86 0.00 0.00 177.93 180.16 1v5r s ASP 75 N -5.46 6.69 -0.02 2.45 -1.08 0.90 -4.92 116.67 115.22 1v5r s ASP 75 Ca -0.15 1.89 -0.25 0.00 -0.52 0.00 0.00 52.55 53.52 1v5r s ASP 75 Cb 0.03 -2.53 -0.19 0.00 -1.46 0.00 0.00 42.92 38.76 1v5r s ASP 75 CO 0.66 -0.96 1.23 1.55 0.52 0.00 0.00 175.17 178.17 1v5r h PRO 76 N 9.39 -0.06 -0.09 4.34 0.13 -1.81 -3.03 132.00 140.87 1v5r h PRO 76 Ca -0.33 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.82 1v5r h PRO 76 Cb 1.15 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1v5r h PRO 76 CO 0.97 0.40 0.25 0.00 -0.23 0.00 0.00 178.00 179.39 1v5r h ARG 78 N 0.00 0.26 0.00 0.00 3.08 -1.80 -3.21 114.38 112.71 1v5r h ARG 78 Ca 0.04 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1v5r h ARG 78 Cb 0.53 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.72 1v5r h ARG 78 CO -0.00 1.15 0.42 0.52 -1.07 0.00 0.00 179.97 180.98 1v5r h MET 79 N 0.10 0.00 -2.06 0.04 2.86 -0.65 -2.65 114.93 112.56 1v5r h MET 79 Ca -0.10 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.44 1v5r h MET 79 Cb 1.83 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.45 1v5r h MET 79 CO 0.18 0.00 -0.17 1.28 1.06 0.00 0.00 176.91 179.26 1v5r n LEU 80 N -2.45 4.75 0.00 1.22 4.77 -1.21 -3.22 117.00 120.85 1v5r n LEU 80 Ca -0.01 -2.59 0.00 0.00 -0.03 0.00 0.00 56.01 53.37 1v5r n LEU 80 Cb 0.45 -1.17 0.00 0.00 -2.33 0.00 0.00 43.42 40.37 1v5r n LEU 80 CO 0.08 1.24 -0.26 0.00 -1.33 0.00 0.00 177.39 177.11 1v5r n GLN 81 N 2.13 1.37 -3.97 3.23 6.02 -1.00 -5.10 117.38 120.06 1v5r n GLN 81 Ca 0.22 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 57.12 1v5r n GLN 81 Cb 0.67 -0.76 -0.10 0.00 1.02 0.00 0.00 30.24 31.06 1v5r n GLN 81 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1v5r s ILE 82 N -1.53 0.13 -0.00 5.09 1.01 -1.20 -5.03 121.20 119.67 1v5r s ILE 82 Ca 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 60.65 59.55 1v5r s ILE 82 Cb 0.00 -0.65 -0.10 0.00 0.01 0.00 0.00 42.46 41.72 1v5r s ILE 82 CO 0.00 -0.59 2.60 -0.24 0.00 0.00 0.00 174.94 176.71 1v5r n SER 83 N 1.12 5.31 -3.69 3.58 2.88 -1.26 -4.77 113.62 116.79 1v5r n SER 83 Ca -0.21 -2.44 -0.21 0.00 -1.33 0.00 0.00 58.87 54.68 1v5r n SER 83 Cb 0.57 -1.24 -0.05 0.00 -0.75 0.00 0.00 64.21 62.75 1v5r n SER 83 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 1v5r n ARG 84 N 1.87 -0.87 -2.72 -1.46 1.85 -1.26 -4.75 116.66 109.31 1v5r n ARG 84 Ca 0.16 0.01 -0.43 0.00 -1.00 0.00 0.00 57.85 56.59 1v5r n ARG 84 Cb 0.66 -1.98 -0.01 0.00 -1.05 0.00 0.00 32.46 30.07 1v5r n ARG 84 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1v5r s VAL 85 N -3.91 4.43 0.28 8.89 1.01 -1.26 -4.90 120.40 124.95 1v5r s VAL 85 Ca 0.06 -1.93 -0.20 0.00 0.00 0.00 0.00 61.98 59.91 1v5r s VAL 85 Cb -0.04 -5.05 0.02 0.00 0.00 0.00 0.00 36.38 31.31 1v5r s VAL 85 CO 0.61 -1.84 0.72 1.51 0.00 0.00 0.00 175.10 176.10 1v5r s ASP 86 N 3.86 -0.24 -0.29 3.32 -4.77 -1.26 -5.16 116.67 112.13 1v5r s ASP 86 Ca 0.47 -0.65 0.00 0.00 -3.30 0.00 0.00 52.55 49.08 1v5r s ASP 86 Cb 0.00 0.73 0.18 0.00 -1.09 0.00 0.00 42.92 42.74 1v5r s ASP 86 CO 0.01 -1.36 0.54 -0.83 0.70 0.00 0.00 175.17 174.23 1v5r s GLY 87 N -2.93 -0.89 -0.21 2.12 0.00 -1.26 -5.15 107.32 98.99 1v5r s GLY 87 Ca 0.12 1.37 -0.29 0.00 0.00 0.00 0.00 44.72 45.92 1v5r s GLY 87 CO 0.07 3.26 1.10 -1.59 0.00 0.00 0.00 173.10 175.95 1v5r s LYS 88 N 2.76 0.44 0.09 2.90 0.00 -1.26 -5.18 119.74 119.50 1v5r s LYS 88 Ca 0.16 0.18 0.07 0.00 0.00 0.00 0.00 55.97 56.39 1v5r s LYS 88 Cb -0.14 0.21 -0.03 0.00 0.00 0.00 0.00 37.83 37.87 1v5r s LYS 88 CO -0.22 -0.12 -0.19 0.99 0.00 0.00 0.00 175.35 175.81 1v5r s THR 89 N -0.82 1.57 -0.24 3.79 2.01 -1.26 -5.13 115.64 115.56 1v5r s THR 89 Ca 0.02 -1.46 -0.03 0.00 0.31 0.00 0.00 61.69 60.53 1v5r s THR 89 Cb -0.02 -1.44 0.13 0.00 0.01 0.00 0.00 72.50 71.19 1v5r s THR 89 CO -0.03 -0.08 0.40 -0.55 -0.69 0.00 0.00 174.62 173.68 1v5r s SER 90 N -1.81 0.04 1.22 3.53 0.15 -1.26 -5.16 113.70 110.41 1v5r s SER 90 Ca 0.05 0.40 -0.20 0.00 0.70 0.00 0.00 55.95 56.90 1v5r s SER 90 Cb -0.10 1.23 0.29 0.00 -1.71 0.00 0.00 66.02 65.74 1v5r s SER 90 CO 0.04 -0.29 1.11 -2.16 1.20 0.00 0.00 173.24 173.14 1v5r s PRO 91 N 2.58 -1.37 0.31 5.44 0.04 -1.26 -5.08 135.00 135.66 1v5r s PRO 91 Ca 0.11 -0.12 0.09 0.00 0.04 0.00 0.00 61.00 61.12 1v5r s PRO 91 Cb -0.15 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.76 1v5r s PRO 91 CO -0.16 -3.80 0.08 0.45 0.04 0.00 0.00 177.00 173.62 1v5r s SER 92 N -3.93 4.62 -0.26 6.66 0.15 -1.26 -5.13 113.70 114.56 1v5r s SER 92 Ca 0.71 -0.73 -0.02 0.00 0.70 0.00 0.00 55.95 56.62 1v5r s SER 92 Cb -0.09 -0.78 0.12 0.00 -1.71 0.00 0.00 66.02 63.56 1v5r s SER 92 CO 0.56 -0.18 0.27 -0.83 1.20 0.00 0.00 173.24 174.27 1v5r s GLY 93 N -3.77 -0.10 0.82 9.45 0.00 -1.26 -5.15 107.32 107.30 1v5r s GLY 93 Ca 0.35 -0.04 -0.11 0.00 0.00 0.00 0.00 44.72 44.93 1v5r s GLY 93 CO 0.21 2.48 1.09 2.56 0.00 0.00 0.00 173.10 179.44 1v5r s PRO 94 N 2.36 1.90 0.29 2.90 0.04 -1.26 -5.08 135.00 136.16 1v5r s PRO 94 Ca 0.09 1.05 0.07 0.00 0.04 0.00 0.00 61.00 62.25 1v5r s PRO 94 Cb -0.15 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.47 1v5r s PRO 94 CO -0.25 -1.86 -0.06 0.45 0.04 0.00 0.00 177.00 175.32 1v5r s SER 95 N -3.40 2.92 0.32 6.66 0.15 -1.26 -5.16 113.70 113.92 1v5r s SER 95 Ca 0.62 -1.19 0.10 0.00 0.70 0.00 0.00 55.95 56.18 1v5r s SER 95 Cb -0.17 -0.20 -0.06 0.00 -1.71 0.00 0.00 66.02 63.88 1v5r s SER 95 CO 0.56 -0.32 -0.11 -0.44 1.20 0.00 0.00 173.24 174.13 1v5r s SER 96 N -3.47 3.77 0.00 5.45 0.01 -1.26 -5.38 113.70 112.83 1v5r s SER 96 Ca 0.30 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.47 1v5r s SER 96 Cb 0.03 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.89 1v5r s SER 96 CO 0.13 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.27