#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 6.26 -0.51 1.61 0.01 -1.26 -4.91 113.70 114.90 1v5r s SER 2 Ca 0.00 -0.87 0.04 0.00 1.31 0.00 0.00 55.95 56.43 1v5r s SER 2 Cb 0.00 -2.52 0.17 0.00 0.21 0.00 0.00 66.02 63.88 1v5r s SER 2 CO 0.00 -1.64 0.39 -0.44 0.41 0.00 0.00 173.24 171.96 1v5r s SER 3 N 3.98 2.69 0.00 2.44 0.01 -1.26 -5.11 113.70 116.44 1v5r s SER 3 Ca 0.34 -3.32 0.00 0.00 1.31 0.00 0.00 55.95 54.28 1v5r s SER 3 Cb -0.08 -0.87 0.00 0.00 0.21 0.00 0.00 66.02 65.28 1v5r s SER 3 CO 0.07 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1v5r n GLY 4 N 2.57 0.00 3.85 3.44 0.00 -1.26 -5.07 105.19 108.72 1v5r n GLY 4 Ca 0.26 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 1v5r n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v5r s SER 5 N -1.00 6.16 -0.18 1.61 0.01 -1.26 -5.10 113.70 113.94 1v5r s SER 5 Ca 0.00 0.37 -0.08 0.00 1.31 0.00 0.00 55.95 57.55 1v5r s SER 5 Cb 0.00 -1.93 -0.04 0.00 0.21 0.00 0.00 66.02 64.25 1v5r s SER 5 CO 0.00 0.36 0.10 -0.94 0.41 0.00 0.00 173.24 173.18 1v5r s SER 6 N -1.26 6.01 0.00 2.44 1.04 -1.26 -4.57 113.70 116.10 1v5r s SER 6 Ca 0.18 0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.83 1v5r s SER 6 Cb -0.12 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 63.98 1v5r s SER 6 CO 0.08 0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.13 1v5r n GLY 7 N 3.22 4.10 3.74 7.32 0.00 -1.26 -4.94 105.19 117.37 1v5r n GLY 7 Ca -0.17 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 44.93 1v5r n GLY 7 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1v5r n ASN 8 N 0.00 -2.10 0.02 1.61 4.13 -1.26 -4.91 115.26 112.75 1v5r n ASN 8 Ca 0.00 -0.91 -0.22 0.00 1.68 0.00 0.00 54.58 55.14 1v5r n ASN 8 Cb 0.00 -3.71 -0.14 0.00 -1.54 0.00 0.00 39.78 34.39 1v5r n ASN 8 CO 0.00 0.00 0.00 0.17 0.28 0.00 0.00 177.26 177.71 1v5r h LEU 9 N -1.82 0.43 0.14 3.41 -0.00 -1.98 -3.26 115.31 112.23 1v5r h LEU 9 Ca -0.63 -0.87 -0.21 0.00 -0.00 0.00 0.00 57.88 56.17 1v5r h LEU 9 Cb 1.36 -0.14 0.02 0.00 -0.00 0.00 0.00 40.66 41.90 1v5r h LEU 9 CO 0.56 1.67 -0.98 0.25 -0.00 0.00 0.00 178.44 179.93 1v5r h LEU 10 N -0.20 0.47 -0.60 0.17 5.85 -1.93 -3.35 115.31 115.71 1v5r h LEU 10 Ca -0.32 -0.93 0.10 0.00 0.84 0.00 0.00 57.88 57.57 1v5r h LEU 10 Cb 1.84 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.64 1v5r h LEU 10 CO 0.08 1.46 0.18 -0.78 -0.34 0.00 0.00 178.44 179.04 1v5r h ASP 11 N -0.34 0.12 -0.74 1.25 1.82 -1.89 -1.47 116.42 115.18 1v5r h ASP 11 Ca -0.19 0.09 0.16 0.00 -0.39 0.00 0.00 57.03 56.71 1v5r h ASP 11 Cb 1.69 0.10 -0.13 0.00 0.68 0.00 0.00 39.33 41.68 1v5r h ASP 11 CO 0.13 0.07 0.00 -0.78 -1.61 0.00 0.00 179.24 177.06 1v5r h ASP 12 N 0.33 -0.34 0.18 2.28 3.58 -1.68 0.18 116.42 120.95 1v5r h ASP 12 Ca 0.31 0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.94 1v5r h ASP 12 Cb 0.42 0.34 0.00 0.00 1.72 0.00 0.00 39.33 41.81 1v5r h ASP 12 CO -0.35 -0.17 -0.09 0.00 -2.88 0.00 0.00 179.24 175.75 1v5r h ALA 13 N 1.69 -0.24 -0.42 -0.78 0.00 -1.43 0.21 119.26 118.29 1v5r h ALA 13 Ca 0.40 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.25 1v5r h ALA 13 Cb 0.69 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.50 1v5r h ALA 13 CO -0.65 -0.53 -0.08 0.28 0.00 0.00 0.00 179.25 178.27 1v5r h VAL 14 N -0.47 0.60 -0.26 0.00 2.07 -0.64 0.31 116.25 117.87 1v5r h VAL 14 Ca -0.02 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1v5r h VAL 14 Cb 0.36 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1v5r h VAL 14 CO 0.04 0.00 -0.05 0.50 0.02 0.00 0.00 177.57 178.08 1v5r h LYS 15 N 0.02 0.50 -1.01 1.57 3.64 -0.66 -1.45 116.57 119.19 1v5r h LYS 15 Ca 0.20 -0.19 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1v5r h LYS 15 Cb 0.31 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 1v5r h LYS 15 CO -0.41 0.71 0.65 0.00 -2.27 0.00 0.00 179.45 178.13 1v5r h ARG 16 N 0.26 1.18 0.01 1.90 3.08 0.08 0.18 114.38 121.06 1v5r h ARG 16 Ca 0.07 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1v5r h ARG 16 Cb 0.52 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1v5r h ARG 16 CO 0.02 0.78 -0.00 0.82 -1.07 0.00 0.00 179.97 180.52 1v5r h ILE 17 N 1.22 1.36 -0.31 2.04 2.04 -0.29 0.77 117.51 124.35 1v5r h ILE 17 Ca 0.42 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1v5r h ILE 17 Cb 0.10 2.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1v5r h ILE 17 CO -0.16 0.29 0.14 0.77 0.00 0.00 0.00 178.15 179.19 1v5r h SER 18 N -0.48 0.37 0.80 1.72 4.64 -0.97 -2.23 113.55 117.41 1v5r h SER 18 Ca -0.00 -0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.09 1v5r h SER 18 Cb 0.47 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 1v5r h SER 18 CO 0.00 0.33 -1.31 -0.33 -0.87 0.00 0.00 176.83 174.65 1v5r h GLU 19 N 0.43 0.00 -3.67 4.77 4.39 -0.61 -3.38 114.58 116.51 1v5r h GLU 19 Ca 0.11 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.32 1v5r h GLU 19 Cb 0.06 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 28.32 1v5r h GLU 19 CO -0.01 0.48 -0.77 0.34 -1.16 0.00 0.00 179.01 177.89 1v5r s ASP 20 N -6.10 2.31 0.33 1.42 2.15 0.27 0.58 116.67 117.62 1v5r s ASP 20 Ca -0.02 -0.48 -0.28 0.00 0.43 0.00 0.00 52.55 52.20 1v5r s ASP 20 Cb 0.08 -0.55 -0.10 0.00 -0.30 0.00 0.00 42.92 42.06 1v5r s ASP 20 CO 0.81 -0.24 1.22 -2.16 -0.17 0.00 0.00 175.17 174.62 1v5r s PRO 21 N 1.89 4.36 0.07 4.34 0.04 -1.22 -3.99 135.00 140.50 1v5r s PRO 21 Ca 0.02 2.02 -0.31 0.00 0.04 0.00 0.00 61.00 62.77 1v5r s PRO 21 Cb -0.15 -3.01 -0.07 0.00 0.04 0.00 0.00 34.50 31.31 1v5r s PRO 21 CO -0.07 -0.11 1.39 -1.25 0.04 0.00 0.00 177.00 177.00 1v5r s PRO 22 N -1.81 4.31 -0.13 0.56 0.04 0.20 -4.80 135.00 133.36 1v5r s PRO 22 Ca 0.50 2.03 -0.31 0.00 0.04 0.00 0.00 61.00 63.25 1v5r s PRO 22 Cb -0.36 -3.37 -0.09 0.00 0.04 0.00 0.00 34.50 30.72 1v5r s PRO 22 CO 0.46 -0.48 2.06 0.00 0.04 0.00 0.00 177.00 179.09 1v5r h LYS 24 N 11.97 -0.04 -4.97 0.00 1.79 -1.91 -3.45 116.57 119.96 1v5r h LYS 24 Ca -0.44 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.55 1v5r h LYS 24 Cb 1.26 0.01 0.16 0.00 -1.58 0.00 0.00 32.23 32.08 1v5r h LYS 24 CO 0.96 0.11 -1.10 0.00 -1.08 0.00 0.00 179.45 178.34 1v5r n PRO 26 N 1.45 0.49 -3.52 0.00 -0.04 -1.26 -4.37 135.00 127.75 1v5r n PRO 26 Ca 0.05 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.28 1v5r n PRO 26 Cb 0.41 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.21 0.90 0.52 2.01 -1.26 -5.14 115.64 110.45 1v5r s THR 27 Ca 0.23 -0.35 -0.10 0.00 0.31 0.00 0.00 61.69 61.78 1v5r s THR 27 Cb 0.11 -0.77 0.14 0.00 0.01 0.00 0.00 72.50 71.98 1v5r s THR 27 CO 0.18 -0.40 1.13 -0.75 -0.69 0.00 0.00 174.62 174.09 1v5r s LYS 28 N 2.23 1.14 1.05 4.92 2.20 -1.26 -4.98 119.74 125.03 1v5r s LYS 28 Ca 0.07 1.44 -0.12 0.00 -0.36 0.00 0.00 55.97 56.99 1v5r s LYS 28 Cb -0.16 -1.75 0.22 0.00 -1.51 0.00 0.00 37.83 34.63 1v5r s LYS 28 CO -0.21 -2.51 1.07 0.12 -0.36 0.00 0.00 175.35 173.47 1v5r s PHE 29 N -2.69 1.63 -0.46 4.03 5.36 -1.26 -4.93 117.98 119.65 1v5r s PHE 29 Ca 0.66 1.34 -0.26 0.00 -0.96 0.00 0.00 56.93 57.71 1v5r s PHE 29 Cb -0.22 -3.18 0.03 0.00 -0.34 0.00 0.00 43.02 39.31 1v5r s PHE 29 CO 0.58 -3.30 0.96 0.00 -1.46 0.00 0.00 175.22 172.00 1v5r s VAL 31 N 3.87 0.46 -0.13 0.00 1.01 -1.18 -3.27 120.40 121.15 1v5r s VAL 31 Ca 0.39 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1v5r s VAL 31 Cb -0.10 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.14 1v5r s VAL 31 CO 0.27 -0.45 -0.12 -0.70 0.00 0.00 0.00 175.10 174.10 1v5r s GLU 32 N 1.86 2.07 0.11 2.72 2.12 -1.13 -4.89 118.70 121.57 1v5r s GLU 32 Ca 0.04 -0.47 -0.31 0.00 0.36 0.00 0.00 54.97 54.59 1v5r s GLU 32 Cb -0.17 -1.93 -0.09 0.00 0.26 0.00 0.00 34.13 32.20 1v5r s GLU 32 CO -0.19 -0.22 1.64 0.50 -0.54 0.00 0.00 175.26 176.45 1v5r s ARG 33 N 1.48 4.20 -0.11 4.30 3.52 -1.26 0.26 118.95 131.34 1v5r s ARG 33 Ca 0.03 2.37 -0.03 0.00 -0.13 0.00 0.00 55.73 57.98 1v5r s ARG 33 Cb -0.13 -3.43 -0.06 0.00 -1.56 0.00 0.00 34.95 29.77 1v5r s ARG 33 CO -0.09 -0.70 -0.12 1.28 -0.81 0.00 0.00 175.30 174.86 1v5r n LEU 34 N 5.01 1.69 -3.93 -0.88 4.77 -0.15 -4.91 117.00 118.60 1v5r n LEU 34 Ca 0.15 0.06 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 1v5r n LEU 34 Cb 0.39 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 1v5r n LEU 34 CO 0.63 0.41 0.34 -0.44 -1.33 0.00 0.00 177.39 177.00 1v5r s SER 35 N -5.58 0.21 0.25 -1.43 0.01 -0.42 -4.95 113.70 101.79 1v5r s SER 35 Ca -0.15 -1.12 -0.13 0.00 1.31 0.00 0.00 55.95 55.86 1v5r s SER 35 Cb 0.05 0.73 0.35 0.00 0.21 0.00 0.00 66.02 67.36 1v5r s SER 35 CO 0.21 -1.42 1.56 0.06 0.41 0.00 0.00 173.24 174.06 1v5r h GLN 36 N 2.08 -0.00 -0.87 12.44 3.07 -1.99 -1.35 115.11 128.49 1v5r h GLN 36 Ca -0.28 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 57.92 1v5r h GLN 36 Cb 1.25 0.00 -0.43 0.00 0.08 0.00 0.00 27.48 28.38 1v5r h GLN 36 CO 0.36 -0.00 -0.83 0.41 0.09 0.00 0.00 178.83 178.87 1v5r n GLY 37 N -1.55 6.02 3.01 0.06 0.00 -1.26 -4.85 105.19 106.62 1v5r n GLY 37 Ca 0.13 -2.58 -0.13 0.00 0.00 0.00 0.00 46.02 43.44 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 -3.60 0.16 0.10 1.61 3.52 -0.51 0.86 118.95 121.09 1v5r s ARG 38 Ca 0.49 0.33 -0.12 0.00 -0.13 0.00 0.00 55.73 56.30 1v5r s ARG 38 Cb 0.40 -0.03 0.01 0.00 -1.56 0.00 0.00 34.95 33.77 1v5r s ARG 38 CO -0.00 -0.09 0.27 0.71 -0.81 0.00 0.00 175.30 175.37 1v5r s TYR 39 N 0.65 0.01 -0.42 5.12 1.51 -1.12 -0.98 117.35 122.12 1v5r s TYR 39 Ca -0.05 -0.38 -0.23 0.00 -1.01 0.00 0.00 57.07 55.40 1v5r s TYR 39 Cb -0.06 0.06 0.02 0.00 -0.11 0.00 0.00 41.96 41.87 1v5r s TYR 39 CO -0.03 -0.60 0.79 0.50 -1.11 0.00 0.00 175.55 175.09 1v5r s ARG 40 N -3.77 3.55 -0.15 -0.62 3.52 0.14 -3.07 118.95 118.56 1v5r s ARG 40 Ca 0.04 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.70 1v5r s ARG 40 Cb 0.03 -3.89 -0.01 0.00 -1.56 0.00 0.00 34.95 29.53 1v5r s ARG 40 CO -0.11 -1.01 -0.14 0.08 -0.81 0.00 0.00 175.30 173.30 1v5r s VAL 41 N 3.23 2.80 -1.40 7.11 1.01 0.13 -2.85 120.40 130.42 1v5r s VAL 41 Ca 0.31 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1v5r s VAL 41 Cb -0.12 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1v5r s VAL 41 CO 0.21 0.52 0.26 0.61 0.00 0.00 0.00 175.10 176.69 1v5r n GLY 42 N 3.88 -0.39 3.50 4.51 0.00 -1.20 0.12 105.19 115.60 1v5r n GLY 42 Ca -0.19 0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1v5r n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1v5r n GLU 43 N -4.74 -5.57 -3.90 1.61 2.13 -1.26 -4.97 120.64 103.93 1v5r n GLU 43 Ca -0.24 0.72 -0.11 0.00 0.66 0.00 0.00 57.16 58.19 1v5r n GLU 43 Cb 0.64 -5.61 -0.11 0.00 0.27 0.00 0.00 31.44 26.62 1v5r n GLU 43 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1v5r s LYS 44 N -6.20 0.32 -0.54 5.31 1.02 0.33 -5.12 119.74 114.86 1v5r s LYS 44 Ca 0.50 -0.33 -0.17 0.00 0.02 0.00 0.00 55.97 55.99 1v5r s LYS 44 Cb -0.24 0.13 0.10 0.00 -0.52 0.00 0.00 37.83 37.30 1v5r s LYS 44 CO 0.62 -0.06 0.56 0.42 -0.92 0.00 0.00 175.35 175.97 1v5r s ILE 45 N -1.01 5.06 -0.01 2.17 -1.09 -1.26 0.17 121.20 125.22 1v5r s ILE 45 Ca -0.11 -1.14 0.07 0.00 -2.23 0.00 0.00 60.65 57.24 1v5r s ILE 45 Cb -0.06 -4.34 -0.03 0.00 -1.58 0.00 0.00 42.46 36.45 1v5r s ILE 45 CO 0.00 -0.89 -0.21 -0.76 -1.23 0.00 0.00 174.94 171.85 1v5r s LEU 46 N 2.06 2.36 -0.23 2.97 1.43 -1.17 -5.02 118.68 121.08 1v5r s LEU 46 Ca 0.07 -0.40 -0.25 0.00 -1.03 0.00 0.00 54.13 52.52 1v5r s LEU 46 Cb -0.26 -1.43 -0.00 0.00 0.03 0.00 0.00 46.19 44.53 1v5r s LEU 46 CO 0.06 0.31 0.86 0.12 0.23 0.00 0.00 176.35 177.92 1v5r s PHE 47 N -0.73 3.34 -0.27 0.29 5.36 -1.26 -2.79 117.98 121.92 1v5r s PHE 47 Ca 0.11 1.21 -0.07 0.00 -0.96 0.00 0.00 56.93 57.22 1v5r s PHE 47 Cb -0.10 -3.07 -0.01 0.00 -0.34 0.00 0.00 43.02 39.49 1v5r s PHE 47 CO 0.01 -0.38 0.06 0.42 -1.46 0.00 0.00 175.22 173.87 1v5r s ILE 48 N 2.76 4.06 0.45 3.12 1.01 0.25 0.59 121.20 133.45 1v5r s ILE 48 Ca 0.37 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.64 1v5r s ILE 48 Cb -0.15 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 1v5r s ILE 48 CO 0.08 0.22 0.35 -0.13 0.00 0.00 0.00 174.94 175.46 1v5r s ARG 49 N 1.55 2.38 -0.12 2.79 0.52 0.22 -4.16 118.95 122.13 1v5r s ARG 49 Ca 0.05 -1.74 0.00 0.00 -0.52 0.00 0.00 55.73 53.52 1v5r s ARG 49 Cb -0.16 -2.22 0.02 0.00 0.52 0.00 0.00 34.95 33.11 1v5r s ARG 49 CO 0.02 -0.30 -0.10 1.41 0.02 0.00 0.00 175.30 176.35 1v5r s MET 50 N -4.13 1.76 -0.54 3.54 1.75 -1.26 -1.40 119.30 119.02 1v5r s MET 50 Ca 0.43 -0.35 -0.28 0.00 -1.25 0.00 0.00 55.69 54.23 1v5r s MET 50 Cb -0.01 -1.71 0.03 0.00 2.84 0.00 0.00 34.83 35.97 1v5r s MET 50 CO 0.25 -0.23 1.21 -0.51 -0.65 0.00 0.00 175.02 175.09 1v5r s LEU 51 N 1.54 3.50 -1.17 4.11 1.43 0.16 -3.78 118.68 124.48 1v5r s LEU 51 Ca 0.03 0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 53.35 1v5r s LEU 51 Cb -0.13 -3.29 0.03 0.00 0.03 0.00 0.00 46.19 42.83 1v5r s LEU 51 CO -0.08 -1.44 0.25 1.41 0.23 0.00 0.00 176.35 176.73 1v5r n HIS 52 N 8.39 -1.63 -3.25 0.29 8.25 -1.26 -0.30 115.22 125.72 1v5r n HIS 52 Ca 0.10 0.24 -0.23 0.00 -0.26 0.00 0.00 57.72 57.57 1v5r n HIS 52 Cb 0.49 -2.94 0.01 0.00 1.12 0.00 0.00 29.99 28.67 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 -2.06 -4.61 0.00 0.41 4.13 -1.25 -4.79 115.26 107.09 1v5r n ASN 53 Ca -0.09 -0.36 0.00 0.00 1.68 0.00 0.00 54.58 55.82 1v5r n ASN 53 Cb 0.58 -3.77 0.00 0.00 -1.54 0.00 0.00 39.78 35.05 1v5r n ASN 53 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1v5r n LYS 54 N -3.86 0.00 -4.36 3.52 4.81 0.59 -5.08 118.16 113.78 1v5r n LYS 54 Ca -0.05 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.12 1v5r n LYS 54 Cb 0.57 -0.78 -0.13 0.00 0.02 0.00 0.00 35.03 34.72 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 -1.80 2.13 -0.27 5.64 3.76 -1.05 -4.95 115.29 118.76 1v5r s HIS 55 Ca 0.00 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.51 1v5r s HIS 55 Cb 0.00 -1.15 0.04 0.00 1.11 0.00 0.00 32.58 32.58 1v5r s HIS 55 CO 0.00 0.30 -0.05 0.08 -0.85 0.00 0.00 174.74 174.23 1v5r s VAL 56 N -1.12 2.78 0.34 -0.90 1.01 -1.26 0.39 120.40 121.63 1v5r s VAL 56 Ca 0.12 -1.30 0.08 0.00 0.00 0.00 0.00 61.98 60.88 1v5r s VAL 56 Cb -0.10 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1v5r s VAL 56 CO 0.06 0.02 0.12 -0.04 0.00 0.00 0.00 175.10 175.26 1v5r s MET 57 N 1.25 2.32 0.12 2.72 -1.94 -0.49 -0.94 119.30 122.34 1v5r s MET 57 Ca -0.04 -1.58 0.08 0.00 -1.71 0.00 0.00 55.69 52.44 1v5r s MET 57 Cb -0.19 -2.13 -0.04 0.00 2.01 0.00 0.00 34.83 34.48 1v5r s MET 57 CO -0.03 0.11 -0.19 0.14 -0.01 0.00 0.00 175.02 175.04 1v5r s VAL 58 N -2.44 1.66 -0.48 -6.03 -7.23 -0.56 -0.61 120.40 104.71 1v5r s VAL 58 Ca 0.37 -1.64 -0.18 0.00 -1.81 0.00 0.00 61.98 58.72 1v5r s VAL 58 Cb -0.02 -1.60 0.05 0.00 0.56 0.00 0.00 36.38 35.38 1v5r s VAL 58 CO 0.22 -0.18 0.54 -0.60 -0.31 0.00 0.00 175.10 174.77 1v5r s ARG 59 N -2.21 3.09 -0.04 4.82 3.00 0.20 -3.20 118.95 124.61 1v5r s ARG 59 Ca 0.09 -0.95 -0.02 0.00 -1.00 0.00 0.00 55.73 53.84 1v5r s ARG 59 Cb -0.08 -4.08 0.03 0.00 0.00 0.00 0.00 34.95 30.82 1v5r s ARG 59 CO 0.05 -1.10 0.09 0.14 0.00 0.00 0.00 175.30 174.47 1v5r s VAL 60 N 2.32 -0.04 -0.33 7.11 -7.23 -0.46 -4.08 120.40 117.69 1v5r s VAL 60 Ca 0.12 0.14 -0.24 0.00 -1.81 0.00 0.00 61.98 60.19 1v5r s VAL 60 Cb -0.20 -0.15 0.04 0.00 0.56 0.00 0.00 36.38 36.63 1v5r s VAL 60 CO 0.11 0.06 0.45 0.61 -0.31 0.00 0.00 175.10 176.02 1v5r n GLY 61 N 3.86 0.02 3.08 2.32 0.00 -1.26 0.68 105.19 113.89 1v5r n GLY 61 Ca -0.23 0.75 -0.21 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.25 -0.19 3.29 -0.02 0.00 -1.26 -4.82 105.19 101.94 1v5r n GLY 62 Ca -0.08 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1v5r n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1v5r s GLY 63 N -2.30 -0.32 -0.21 -0.02 0.00 0.21 -5.14 107.32 99.55 1v5r s GLY 63 Ca 0.38 1.33 -0.04 0.00 0.00 0.00 0.00 44.72 46.39 1v5r s GLY 63 CO 0.52 1.31 -0.03 -0.98 0.00 0.00 0.00 173.10 173.91 1v5r s TRP 64 N 0.75 2.97 0.38 1.90 0.52 -1.26 -1.36 118.94 122.85 1v5r s TRP 64 Ca -0.04 -0.75 0.04 0.00 0.02 0.00 0.00 56.10 55.37 1v5r s TRP 64 Cb -0.05 -2.08 -0.05 0.00 -1.15 0.00 0.00 33.47 30.13 1v5r s TRP 64 CO -0.05 -0.42 0.06 -1.83 0.02 0.00 0.00 176.95 174.73 1v5r s GLU 65 N 1.24 1.85 -0.20 4.98 -1.05 -1.19 -4.89 118.70 119.43 1v5r s GLU 65 Ca 0.03 -2.08 -0.29 0.00 -0.15 0.00 0.00 54.97 52.48 1v5r s GLU 65 Cb -0.14 -1.05 -0.01 0.00 -0.44 0.00 0.00 34.13 32.48 1v5r s GLU 65 CO -0.01 -0.25 1.30 0.95 0.95 0.00 0.00 175.26 178.21 1v5r s THR 66 N -3.11 4.19 0.16 1.83 -4.23 -1.26 -1.50 115.64 111.73 1v5r s THR 66 Ca 0.29 1.41 -0.20 0.00 -1.18 0.00 0.00 61.69 62.02 1v5r s THR 66 Cb 0.07 -4.00 0.08 0.00 1.34 0.00 0.00 72.50 69.98 1v5r s THR 66 CO 0.14 -0.23 1.29 0.33 -0.54 0.00 0.00 174.62 175.61 1v5r n PHE 67 N 6.98 -0.16 -0.21 3.99 7.35 -0.12 0.23 117.46 135.52 1v5r n PHE 67 Ca 0.14 1.03 0.14 0.00 -0.76 0.00 0.00 57.45 58.00 1v5r n PHE 67 Cb 0.45 -0.69 0.44 0.00 0.35 0.00 0.00 39.48 40.03 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 0.80 1.97 -0.29 3.13 0.00 -1.91 -0.06 119.26 122.90 1v5r h ALA 68 Ca 0.21 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1v5r h ALA 68 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1v5r h ALA 68 CO -0.81 -0.19 -0.16 0.78 0.00 0.00 0.00 179.25 178.87 1v5r h GLY 69 N 0.55 0.56 2.00 0.00 0.00 0.26 0.13 103.07 106.56 1v5r h GLY 69 Ca 0.41 -0.41 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1v5r h GLY 69 CO -0.16 0.38 -0.38 -1.82 0.00 0.00 0.00 176.54 174.56 1v5r h TYR 70 N 0.47 0.00 0.15 5.60 5.03 -0.03 -2.25 116.97 125.94 1v5r h TYR 70 Ca 0.08 0.00 -0.28 0.00 2.58 0.00 0.00 58.73 61.11 1v5r h TYR 70 Cb 0.55 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.84 1v5r h TYR 70 CO 0.02 0.38 -1.40 1.25 -1.32 0.00 0.00 178.16 177.09 1v5r h LEU 71 N 0.00 0.49 -0.34 2.82 5.85 -0.91 -3.20 115.31 120.02 1v5r h LEU 71 Ca -0.00 -0.89 -0.13 0.00 0.84 0.00 0.00 57.88 57.69 1v5r h LEU 71 Cb 1.24 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1v5r h LEU 71 CO 0.05 1.63 -0.30 0.17 -0.34 0.00 0.00 178.44 179.65 1v5r h LEU 72 N -0.19 0.85 -1.27 2.25 8.10 -0.84 0.12 115.31 124.33 1v5r h LEU 72 Ca -0.28 -0.46 0.01 0.00 0.11 0.00 0.00 57.88 57.26 1v5r h LEU 72 Cb 1.85 -0.24 -0.04 0.00 -0.44 0.00 0.00 40.66 41.79 1v5r h LEU 72 CO 0.12 1.13 0.50 0.07 -4.11 0.00 0.00 178.44 176.14 1v5r h LYS 73 N 0.59 0.97 0.03 0.17 2.10 -1.56 -3.02 116.57 115.85 1v5r h LYS 73 Ca 0.06 -0.06 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 1v5r h LYS 73 Cb 0.87 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 1v5r h LYS 73 CO 0.08 0.64 -0.21 0.45 -2.00 0.00 0.00 179.45 178.41 1v5r h HIS 74 N 1.00 0.13 -3.11 0.07 3.86 -1.52 -3.45 115.15 112.13 1v5r h HIS 74 Ca 0.28 -0.09 -0.53 0.00 -1.16 0.00 0.00 60.37 58.86 1v5r h HIS 74 Cb -0.10 -0.01 0.01 0.00 1.06 0.00 0.00 27.41 28.37 1v5r h HIS 74 CO -0.00 1.08 0.64 0.34 0.86 0.00 0.00 177.93 180.85 1v5r s ASP 75 N -6.41 6.97 -0.02 2.45 -1.08 0.40 -4.96 116.67 114.02 1v5r s ASP 75 Ca -0.18 2.14 -0.22 0.00 -0.52 0.00 0.00 52.55 53.77 1v5r s ASP 75 Cb -0.02 -2.58 -0.15 0.00 -1.46 0.00 0.00 42.92 38.71 1v5r s ASP 75 CO 0.72 -0.55 1.00 1.55 0.52 0.00 0.00 175.17 178.42 1v5r h PRO 76 N 6.85 -0.37 -0.51 4.34 0.13 -1.87 -2.73 132.00 137.82 1v5r h PRO 76 Ca -0.42 0.03 0.15 0.00 -0.87 0.00 0.00 66.00 64.89 1v5r h PRO 76 Cb 1.21 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.40 1v5r h PRO 76 CO 0.84 -0.03 0.46 0.00 -0.23 0.00 0.00 178.00 179.04 1v5r h ARG 78 N 0.00 0.53 -1.02 0.00 3.08 -1.81 -3.17 114.38 111.99 1v5r h ARG 78 Ca 0.24 -0.52 0.30 0.00 0.07 0.00 0.00 59.98 60.06 1v5r h ARG 78 Cb 1.17 0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.32 1v5r h ARG 78 CO -0.00 1.16 0.91 0.52 -1.07 0.00 0.00 179.97 181.48 1v5r h MET 79 N 0.10 0.00 -5.02 0.04 2.86 -0.63 -3.15 114.93 109.13 1v5r h MET 79 Ca -0.08 0.00 -0.71 0.00 -2.06 0.00 0.00 59.70 56.85 1v5r h MET 79 Cb 1.37 0.00 -0.12 0.00 0.06 0.00 0.00 31.60 32.91 1v5r h MET 79 CO 0.14 0.00 1.96 1.28 1.06 0.00 0.00 176.91 181.35 1v5r n LEU 80 N -3.75 5.40 0.00 1.22 4.77 -1.20 -4.57 117.00 118.88 1v5r n LEU 80 Ca 0.22 -4.22 -0.00 0.00 -0.03 0.00 0.00 56.01 51.98 1v5r n LEU 80 Cb 1.24 -1.66 -0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1v5r n LEU 80 CO 0.32 0.59 -0.00 0.00 -1.33 0.00 0.00 177.39 176.97 1v5r n GLN 81 N 6.67 0.00 0.04 3.23 6.02 -1.19 -5.06 117.38 127.08 1v5r n GLN 81 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 1v5r n GLN 81 Cb 0.43 -0.02 0.00 0.00 1.02 0.00 0.00 30.24 31.67 1v5r n GLN 81 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1v5r n ILE 82 N -2.50 0.15 -3.55 5.09 5.41 -1.26 -5.14 119.36 117.55 1v5r n ILE 82 Ca -0.00 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1v5r n ILE 82 Cb 0.00 -0.53 -0.06 0.00 -0.71 0.00 0.00 39.64 38.34 1v5r n ILE 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1v5r s SER 83 N -4.69 -0.37 -0.29 4.38 0.15 -1.26 -5.17 113.70 106.45 1v5r s SER 83 Ca 0.00 0.56 -0.23 0.00 0.70 0.00 0.00 55.95 56.99 1v5r s SER 83 Cb 0.00 1.24 0.14 0.00 -1.71 0.00 0.00 66.02 65.69 1v5r s SER 83 CO 0.00 -0.09 1.06 -0.60 1.20 0.00 0.00 173.24 174.82 1v5r s ARG 84 N 1.56 0.42 -0.11 5.44 6.06 -1.26 -5.16 118.95 125.90 1v5r s ARG 84 Ca -0.07 0.55 -0.04 0.00 -2.50 0.00 0.00 55.73 53.68 1v5r s ARG 84 Cb -0.03 0.18 0.05 0.00 0.06 0.00 0.00 34.95 35.21 1v5r s ARG 84 CO -0.14 -0.06 0.14 0.54 -2.50 0.00 0.00 175.30 173.28 1v5r s VAL 85 N 0.50 -0.22 0.23 7.11 0.11 -1.26 -5.11 120.40 121.77 1v5r s VAL 85 Ca 0.00 0.19 0.00 0.00 -2.93 0.00 0.00 61.98 59.25 1v5r s VAL 85 Cb -0.05 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.37 1v5r s VAL 85 CO -0.09 0.02 0.11 -0.62 -3.33 0.00 0.00 175.10 171.18 1v5r s ASP 86 N 2.25 0.78 -0.30 3.54 2.15 -1.26 -5.16 116.67 118.67 1v5r s ASP 86 Ca 0.04 -1.38 -0.08 0.00 0.43 0.00 0.00 52.55 51.56 1v5r s ASP 86 Cb -0.13 0.25 0.16 0.00 -0.30 0.00 0.00 42.92 42.89 1v5r s ASP 86 CO -0.07 -0.77 0.69 -0.83 -0.17 0.00 0.00 175.17 174.01 1v5r s GLY 87 N -3.25 -0.75 0.04 2.66 0.00 -1.26 -5.16 107.32 99.59 1v5r s GLY 87 Ca 0.38 2.27 -0.23 0.00 0.00 0.00 0.00 44.72 47.14 1v5r s GLY 87 CO 0.13 3.23 0.54 1.25 0.00 0.00 0.00 173.10 178.25 1v5r s LYS 88 N 2.84 1.04 0.46 2.90 2.47 -1.26 -5.18 119.74 123.02 1v5r s LYS 88 Ca 0.04 -0.17 0.06 0.00 -1.56 0.00 0.00 55.97 54.34 1v5r s LYS 88 Cb -0.12 0.48 -0.01 0.00 -1.46 0.00 0.00 37.83 36.71 1v5r s LYS 88 CO -0.19 -0.37 0.29 0.95 0.16 0.00 0.00 175.35 176.18 1v5r s THR 89 N -2.31 2.11 0.10 3.43 -4.23 -1.26 -5.06 115.64 108.43 1v5r s THR 89 Ca -0.06 -1.57 -0.34 0.00 -1.18 0.00 0.00 61.69 58.54 1v5r s THR 89 Cb -0.01 -2.68 -0.18 0.00 1.34 0.00 0.00 72.50 70.97 1v5r s THR 89 CO -0.01 0.00 0.88 -1.54 -0.54 0.00 0.00 174.62 173.42 1v5r n SER 90 N -1.48 -0.25 0.01 3.99 3.41 -1.26 -4.89 113.62 113.15 1v5r n SER 90 Ca -0.01 1.15 -0.13 0.00 -0.26 0.00 0.00 58.87 59.62 1v5r n SER 90 Cb 0.64 -0.98 -0.10 0.00 -0.26 0.00 0.00 64.21 63.52 1v5r n SER 90 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1v5r h PRO 91 N 2.33 -0.05 -1.17 4.33 0.13 -2.07 -3.47 132.00 132.01 1v5r h PRO 91 Ca -0.41 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.90 1v5r h PRO 91 Cb 1.42 0.01 -0.30 0.00 0.13 0.00 0.00 31.00 32.26 1v5r h PRO 91 CO 0.63 0.41 0.59 0.45 -0.23 0.00 0.00 178.00 179.85 1v5r s SER 92 N -5.62 -0.24 0.25 1.44 0.15 -1.26 -5.15 113.70 103.28 1v5r s SER 92 Ca -0.15 0.38 -0.30 0.00 0.70 0.00 0.00 55.95 56.57 1v5r s SER 92 Cb 0.02 1.12 -0.11 0.00 -1.71 0.00 0.00 66.02 65.34 1v5r s SER 92 CO 0.64 -0.06 1.54 -0.83 1.20 0.00 0.00 173.24 175.74 1v5r s GLY 93 N 1.26 2.04 1.01 9.45 0.00 -1.26 -4.99 107.32 114.83 1v5r s GLY 93 Ca -0.08 1.45 -0.12 0.00 0.00 0.00 0.00 44.72 45.97 1v5r s GLY 93 CO -0.12 2.49 1.09 2.56 0.00 0.00 0.00 173.10 179.12 1v5r s PRO 94 N -0.07 0.35 -0.12 2.90 0.04 -1.26 -5.02 135.00 131.82 1v5r s PRO 94 Ca 0.64 0.50 0.07 0.00 0.04 0.00 0.00 61.00 62.25 1v5r s PRO 94 Cb -0.45 -1.73 -0.12 0.00 0.04 0.00 0.00 34.50 32.24 1v5r s PRO 94 CO 0.42 -2.78 -0.01 -1.13 0.04 0.00 0.00 177.00 173.54 1v5r n SER 95 N -4.21 2.47 -4.42 6.66 3.41 -1.26 -4.96 113.62 111.31 1v5r n SER 95 Ca 0.05 -0.02 -0.34 0.00 -0.26 0.00 0.00 58.87 58.30 1v5r n SER 95 Cb 0.57 0.50 -0.13 0.00 -0.26 0.00 0.00 64.21 64.89 1v5r n SER 95 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1v5r s SER 96 N -4.61 4.56 0.00 4.04 0.01 -1.26 -5.38 113.70 111.06 1v5r s SER 96 Ca -0.09 -0.24 0.00 0.00 1.31 0.00 0.00 55.95 56.93 1v5r s SER 96 Cb 0.04 -1.75 0.00 0.00 0.21 0.00 0.00 66.02 64.51 1v5r s SER 96 CO 0.41 0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.77