#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 5.73 -0.02 1.61 2.88 -1.26 -4.43 113.62 118.13 1v5r n SER 2 Ca 0.00 -2.73 -0.11 0.00 -1.33 0.00 0.00 58.87 54.70 1v5r n SER 2 Cb 0.00 -1.29 -0.09 0.00 -0.75 0.00 0.00 64.21 62.08 1v5r n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1v5r h SER 3 N 2.54 -0.06 -3.52 -3.46 4.64 -2.08 -3.46 113.55 108.15 1v5r h SER 3 Ca 0.23 -0.58 -0.32 0.00 -0.47 0.00 0.00 61.79 60.65 1v5r h SER 3 Cb 1.16 0.02 -0.34 0.00 -0.31 0.00 0.00 62.40 62.92 1v5r h SER 3 CO 0.43 0.66 -0.74 -0.83 -0.87 0.00 0.00 176.83 175.48 1v5r s GLY 4 N -3.68 0.16 0.33 -0.77 0.00 -1.26 -5.15 107.32 96.95 1v5r s GLY 4 Ca -0.14 0.24 -0.15 0.00 0.00 0.00 0.00 44.72 44.67 1v5r s GLY 4 CO 0.52 0.63 0.74 -1.35 0.00 0.00 0.00 173.10 173.65 1v5r s SER 5 N 1.02 6.77 -1.46 1.64 1.04 -1.26 -4.02 113.70 117.43 1v5r s SER 5 Ca -0.09 1.28 -0.11 0.00 0.48 0.00 0.00 55.95 57.51 1v5r s SER 5 Cb -0.13 -2.37 0.06 0.00 0.10 0.00 0.00 66.02 63.67 1v5r s SER 5 CO -0.02 -0.22 1.02 -1.20 0.98 0.00 0.00 173.24 173.80 1v5r n SER 6 N -0.40 -4.85 0.00 7.02 7.64 -1.26 -4.95 113.62 116.82 1v5r n SER 6 Ca 0.04 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1v5r n SER 6 Cb 0.53 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.50 1v5r n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v5r n GLY 7 N -1.76 1.04 4.14 0.23 0.00 -1.26 -4.92 105.19 102.66 1v5r n GLY 7 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.58 -0.34 1.61 4.13 -1.26 -4.83 115.26 112.99 1v5r n ASN 8 Ca 0.00 -1.05 -0.02 0.00 1.68 0.00 0.00 54.58 55.19 1v5r n ASN 8 Cb 0.00 -2.69 0.14 0.00 -1.54 0.00 0.00 39.78 35.68 1v5r n ASN 8 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1v5r h LEU 9 N -1.64 1.09 -0.15 3.41 4.07 -1.95 -2.75 115.31 117.38 1v5r h LEU 9 Ca -0.61 -0.04 0.05 0.00 0.08 0.00 0.00 57.88 57.35 1v5r h LEU 9 Cb 1.38 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 42.80 1v5r h LEU 9 CO 0.72 0.80 -0.17 0.25 -1.08 0.00 0.00 178.44 178.96 1v5r h LEU 10 N 1.28 -0.54 -0.34 1.67 5.85 -1.94 0.25 115.31 121.54 1v5r h LEU 10 Ca 0.34 0.10 0.06 0.00 0.84 0.00 0.00 57.88 59.22 1v5r h LEU 10 Cb -0.12 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1v5r h LEU 10 CO -0.07 -0.22 0.01 0.44 -0.34 0.00 0.00 178.44 178.26 1v5r h ASP 11 N -0.20 -0.11 -0.58 1.25 5.19 -1.86 0.19 116.42 120.30 1v5r h ASP 11 Ca 0.10 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.58 1v5r h ASP 11 Cb 0.36 0.13 -0.03 0.00 0.18 0.00 0.00 39.33 39.97 1v5r h ASP 11 CO -0.27 -0.02 0.33 0.44 -3.12 0.00 0.00 179.24 176.60 1v5r h ASP 12 N 0.11 0.71 0.37 6.45 3.32 -1.17 0.66 116.42 126.86 1v5r h ASP 12 Ca 0.16 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.12 1v5r h ASP 12 Cb 0.22 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1v5r h ASP 12 CO -0.26 0.58 -0.18 0.00 -1.72 0.00 0.00 179.24 177.66 1v5r h ALA 13 N 1.16 -0.49 -0.70 3.45 0.00 0.16 0.15 119.26 122.98 1v5r h ALA 13 Ca 0.20 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1v5r h ALA 13 Cb 0.02 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1v5r h ALA 13 CO -0.04 -0.72 0.44 0.28 0.00 0.00 0.00 179.25 179.21 1v5r h VAL 14 N -0.60 1.11 -0.31 0.00 2.07 -0.56 0.23 116.25 118.20 1v5r h VAL 14 Ca -0.05 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 1v5r h VAL 14 Cb 0.44 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1v5r h VAL 14 CO 0.08 0.16 0.09 0.50 0.02 0.00 0.00 177.57 178.42 1v5r h LYS 15 N 0.88 0.48 0.61 1.57 3.64 -0.76 -1.33 116.57 121.66 1v5r h LYS 15 Ca 0.28 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 1v5r h LYS 15 Cb -0.00 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1v5r h LYS 15 CO -0.10 0.54 -0.30 0.00 -2.27 0.00 0.00 179.45 177.32 1v5r h ARG 16 N 0.34 -0.79 -0.54 1.90 3.08 -0.35 -2.25 114.38 115.77 1v5r h ARG 16 Ca 0.10 0.05 0.11 0.00 0.07 0.00 0.00 59.98 60.31 1v5r h ARG 16 Cb 0.26 0.18 -0.10 0.00 0.08 0.00 0.00 29.97 30.38 1v5r h ARG 16 CO -0.00 -0.48 -0.16 0.82 -1.07 0.00 0.00 179.97 179.07 1v5r h ILE 17 N -1.09 0.42 -0.40 2.04 2.04 -0.59 0.34 117.51 120.25 1v5r h ILE 17 Ca -0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1v5r h ILE 17 Cb 0.68 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 1v5r h ILE 17 CO 0.14 0.00 0.27 0.77 0.00 0.00 0.00 178.15 179.33 1v5r h SER 18 N -0.03 0.26 -0.70 1.72 4.64 -1.26 -0.42 113.55 117.75 1v5r h SER 18 Ca 0.26 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.25 1v5r h SER 18 Cb 0.42 -0.05 -0.20 0.00 -0.31 0.00 0.00 62.40 62.26 1v5r h SER 18 CO -0.57 0.17 0.31 -0.62 -0.87 0.00 0.00 176.83 175.25 1v5r n GLU 19 N -4.47 2.40 -3.15 4.77 1.02 0.92 -4.45 120.64 117.67 1v5r n GLU 19 Ca 0.05 -3.08 0.05 0.00 -0.02 0.00 0.00 57.16 54.17 1v5r n GLU 19 Cb 0.26 -2.05 -0.01 0.00 -0.02 0.00 0.00 31.44 29.63 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 -1.71 -0.47 0.45 1.62 -1.08 0.38 -3.86 116.67 112.00 1v5r s ASP 20 Ca 0.52 0.17 -0.23 0.00 -0.52 0.00 0.00 52.55 52.48 1v5r s ASP 20 Cb 0.44 1.34 -0.08 0.00 -1.46 0.00 0.00 42.92 43.17 1v5r s ASP 20 CO 0.08 -0.09 1.17 -2.16 0.52 0.00 0.00 175.17 174.69 1v5r s PRO 21 N 2.95 3.79 0.14 4.34 0.04 -1.25 -4.40 135.00 140.62 1v5r s PRO 21 Ca 0.12 1.79 -0.31 0.00 0.04 0.00 0.00 61.00 62.64 1v5r s PRO 21 Cb -0.06 -2.44 -0.08 0.00 0.04 0.00 0.00 34.50 31.95 1v5r s PRO 21 CO -0.17 -0.53 1.34 -1.25 0.04 0.00 0.00 177.00 176.44 1v5r s PRO 22 N -2.65 4.36 -0.36 0.56 0.04 -1.25 -4.88 135.00 130.82 1v5r s PRO 22 Ca 0.63 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.41 1v5r s PRO 22 Cb -0.29 -3.24 -0.08 0.00 0.04 0.00 0.00 34.50 30.93 1v5r s PRO 22 CO 0.35 -0.35 2.28 0.00 0.04 0.00 0.00 177.00 179.33 1v5r h LYS 24 N 15.23 0.84 -5.90 0.00 1.57 -1.92 -3.45 116.57 122.94 1v5r h LYS 24 Ca -0.31 -0.20 -0.58 0.00 -1.87 0.00 0.00 60.65 57.69 1v5r h LYS 24 Cb 1.27 -0.11 0.19 0.00 0.08 0.00 0.00 32.23 33.67 1v5r h LYS 24 CO 1.04 0.80 -1.32 0.00 -0.57 0.00 0.00 179.45 179.41 1v5r n PRO 26 N 1.73 0.49 -3.51 0.00 -0.04 -1.26 -4.39 135.00 128.02 1v5r n PRO 26 Ca 0.05 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.31 1v5r n PRO 26 Cb 0.49 -1.37 -0.14 0.00 -0.04 0.00 0.00 33.50 32.44 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 -0.27 0.84 0.52 2.01 -1.26 -5.15 115.64 110.33 1v5r s THR 27 Ca 0.17 -0.21 -0.10 0.00 0.31 0.00 0.00 61.69 61.86 1v5r s THR 27 Cb 0.08 -0.71 0.10 0.00 0.01 0.00 0.00 72.50 71.98 1v5r s THR 27 CO 0.13 -0.29 1.12 -0.75 -0.69 0.00 0.00 174.62 174.14 1v5r s LYS 28 N 2.28 1.66 1.02 4.92 2.20 -1.26 -5.02 119.74 125.53 1v5r s LYS 28 Ca 0.06 1.34 -0.14 0.00 -0.36 0.00 0.00 55.97 56.87 1v5r s LYS 28 Cb -0.16 -1.82 0.20 0.00 -1.51 0.00 0.00 37.83 34.55 1v5r s LYS 28 CO -0.15 -2.12 1.13 0.12 -0.36 0.00 0.00 175.35 173.96 1v5r s PHE 29 N -2.79 1.83 -0.36 4.03 5.36 -1.26 -5.01 117.98 119.78 1v5r s PHE 29 Ca 0.64 0.77 -0.15 0.00 -0.96 0.00 0.00 56.93 57.23 1v5r s PHE 29 Cb -0.20 -3.42 -0.00 0.00 -0.34 0.00 0.00 43.02 39.06 1v5r s PHE 29 CO 0.57 -2.95 0.32 0.00 -1.46 0.00 0.00 175.22 171.71 1v5r s VAL 31 N 1.88 0.12 -0.03 0.00 1.01 -1.20 -2.98 120.40 119.20 1v5r s VAL 31 Ca 0.09 -0.55 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1v5r s VAL 31 Cb -0.17 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 1v5r s VAL 31 CO 0.11 -0.45 -0.19 -0.70 0.00 0.00 0.00 175.10 173.87 1v5r s GLU 32 N 2.02 1.78 -0.19 2.72 -6.30 -1.17 -4.91 118.70 112.65 1v5r s GLU 32 Ca 0.05 -0.68 -0.24 0.00 -2.50 0.00 0.00 54.97 51.59 1v5r s GLU 32 Cb -0.16 -1.61 -0.01 0.00 0.00 0.00 0.00 34.13 32.35 1v5r s GLU 32 CO -0.20 0.33 0.80 0.50 0.02 0.00 0.00 175.26 176.72 1v5r s ARG 33 N -0.20 4.25 -0.16 4.30 3.00 -1.26 -0.44 118.95 128.45 1v5r s ARG 33 Ca 0.01 0.94 -0.08 0.00 -1.00 0.00 0.00 55.73 55.60 1v5r s ARG 33 Cb -0.10 -3.59 -0.07 0.00 0.00 0.00 0.00 34.95 31.19 1v5r s ARG 33 CO 0.01 -0.37 -0.21 1.28 0.00 0.00 0.00 175.30 176.01 1v5r n LEU 34 N 5.42 1.17 -4.21 -0.88 4.77 -0.38 -4.99 117.00 117.92 1v5r n LEU 34 Ca 0.04 0.20 -0.16 0.00 -0.03 0.00 0.00 56.01 56.06 1v5r n LEU 34 Cb 0.49 -0.48 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 1v5r n LEU 34 CO 0.47 0.28 -0.07 -0.44 -1.33 0.00 0.00 177.39 176.31 1v5r s SER 35 N -6.43 1.09 0.18 -1.43 0.01 -0.71 -4.97 113.70 101.45 1v5r s SER 35 Ca -0.22 -1.58 -0.26 0.00 1.31 0.00 0.00 55.95 55.19 1v5r s SER 35 Cb 0.08 0.54 0.03 0.00 0.21 0.00 0.00 66.02 66.89 1v5r s SER 35 CO 0.28 -1.07 1.55 -0.61 0.41 0.00 0.00 173.24 173.80 1v5r h GLN 36 N 2.24 -0.03 -0.88 12.44 4.15 -1.99 -1.95 115.11 129.11 1v5r h GLN 36 Ca -0.28 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 58.57 1v5r h GLN 36 Cb 1.24 0.01 -0.41 0.00 0.21 0.00 0.00 27.48 28.52 1v5r h GLN 36 CO 0.41 -0.02 -0.60 0.41 -1.93 0.00 0.00 178.83 177.09 1v5r n GLY 37 N -1.33 6.30 2.78 2.39 0.00 -1.25 -4.94 105.19 109.13 1v5r n GLY 37 Ca 0.04 -2.64 -0.17 0.00 0.00 0.00 0.00 46.02 43.26 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 -3.63 0.14 0.09 1.61 3.52 -0.73 0.09 118.95 120.04 1v5r s ARG 38 Ca 0.52 0.15 -0.08 0.00 -0.13 0.00 0.00 55.73 56.19 1v5r s ARG 38 Cb 0.42 -0.42 -0.00 0.00 -1.56 0.00 0.00 34.95 33.39 1v5r s ARG 38 CO 0.00 -0.18 0.19 0.71 -0.81 0.00 0.00 175.30 175.21 1v5r s TYR 39 N 1.20 0.18 -0.40 5.12 1.51 -1.09 -1.24 117.35 122.62 1v5r s TYR 39 Ca -0.07 -0.61 -0.19 0.00 -1.01 0.00 0.00 57.07 55.18 1v5r s TYR 39 Cb -0.13 -0.07 0.01 0.00 -0.11 0.00 0.00 41.96 41.66 1v5r s TYR 39 CO -0.02 -0.55 0.58 0.50 -1.11 0.00 0.00 175.55 174.94 1v5r s ARG 40 N -3.87 3.38 -0.26 -0.62 3.52 0.41 -2.73 118.95 118.78 1v5r s ARG 40 Ca 0.06 -0.34 -0.02 0.00 -0.13 0.00 0.00 55.73 55.30 1v5r s ARG 40 Cb 0.05 -3.90 0.03 0.00 -1.56 0.00 0.00 34.95 29.57 1v5r s ARG 40 CO -0.10 -0.86 -0.05 0.08 -0.81 0.00 0.00 175.30 173.56 1v5r s VAL 41 N 2.59 2.91 -1.30 7.11 1.01 0.44 -3.02 120.40 130.14 1v5r s VAL 41 Ca 0.20 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.05 1v5r s VAL 41 Cb -0.15 -2.52 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 1v5r s VAL 41 CO 0.16 0.13 0.63 0.61 0.00 0.00 0.00 175.10 176.64 1v5r n GLY 42 N 4.66 -0.41 3.59 4.51 0.00 -1.16 -1.42 105.19 114.95 1v5r n GLY 42 Ca -0.16 0.20 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.26 -7.49 -3.94 1.61 2.13 -1.26 -4.99 120.64 102.44 1v5r n GLU 43 Ca -0.26 0.81 -0.09 0.00 0.66 0.00 0.00 57.16 58.27 1v5r n GLU 43 Cb 0.66 -5.84 -0.10 0.00 0.27 0.00 0.00 31.44 26.44 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 -6.30 0.52 -0.39 5.31 1.02 -0.51 -5.13 119.74 114.25 1v5r s LYS 44 Ca 0.58 -0.71 -0.10 0.00 0.02 0.00 0.00 55.97 55.76 1v5r s LYS 44 Cb -0.26 0.20 0.05 0.00 -0.52 0.00 0.00 37.83 37.30 1v5r s LYS 44 CO 0.71 -0.12 0.23 0.42 -0.92 0.00 0.00 175.35 175.67 1v5r s ILE 45 N -2.29 4.38 0.27 2.17 -1.09 -1.26 -0.42 121.20 122.97 1v5r s ILE 45 Ca -0.08 -1.13 0.11 0.00 -2.23 0.00 0.00 60.65 57.32 1v5r s ILE 45 Cb -0.03 -3.56 -0.05 0.00 -1.58 0.00 0.00 42.46 37.24 1v5r s ILE 45 CO -0.03 -0.36 -0.12 -0.76 -1.23 0.00 0.00 174.94 172.44 1v5r s LEU 46 N 1.49 2.85 -0.50 2.97 1.43 -1.10 -5.02 118.68 120.80 1v5r s LEU 46 Ca 0.02 -0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 52.15 1v5r s LEU 46 Cb -0.21 -1.38 0.12 0.00 0.03 0.00 0.00 46.19 44.76 1v5r s LEU 46 CO 0.04 0.03 0.40 -0.36 0.23 0.00 0.00 176.35 176.69 1v5r s PHE 47 N -2.39 3.38 -0.06 0.29 0.08 -1.26 -2.68 117.98 115.33 1v5r s PHE 47 Ca 0.30 -1.70 -0.16 0.00 0.12 0.00 0.00 56.93 55.49 1v5r s PHE 47 Cb -0.06 -3.60 -0.05 0.00 -0.57 0.00 0.00 43.02 38.74 1v5r s PHE 47 CO 0.17 -1.00 0.42 0.42 -0.10 0.00 0.00 175.22 175.12 1v5r s ILE 48 N 1.41 5.12 0.23 0.64 1.01 0.11 -1.37 121.20 128.34 1v5r s ILE 48 Ca 0.05 0.84 0.03 0.00 0.00 0.00 0.00 60.65 61.58 1v5r s ILE 48 Cb -0.27 -3.74 -0.05 0.00 0.01 0.00 0.00 42.46 38.41 1v5r s ILE 48 CO 0.00 0.47 -0.00 0.00 0.00 0.00 0.00 174.94 175.41 1v5r s ARG 49 N -0.29 1.33 -0.21 2.79 1.70 -0.11 -3.96 118.95 120.20 1v5r s ARG 49 Ca 0.23 -1.67 0.01 0.00 -0.47 0.00 0.00 55.73 53.84 1v5r s ARG 49 Cb -0.16 -0.61 0.04 0.00 -0.57 0.00 0.00 34.95 33.66 1v5r s ARG 49 CO 0.11 -0.10 -0.12 1.41 -1.08 0.00 0.00 175.30 175.52 1v5r s MET 50 N -3.86 2.23 -0.50 3.89 1.75 -1.26 -1.55 119.30 119.99 1v5r s MET 50 Ca 0.28 -0.96 -0.28 0.00 -1.25 0.00 0.00 55.69 53.49 1v5r s MET 50 Cb 0.06 -2.55 -0.01 0.00 2.84 0.00 0.00 34.83 35.17 1v5r s MET 50 CO 0.09 -0.43 1.65 -0.51 -0.65 0.00 0.00 175.02 175.17 1v5r s LEU 51 N 1.31 3.41 -1.48 4.11 1.43 0.05 -3.20 118.68 124.31 1v5r s LEU 51 Ca -0.02 0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 53.66 1v5r s LEU 51 Cb -0.17 -3.06 0.01 0.00 0.03 0.00 0.00 46.19 43.01 1v5r s LEU 51 CO -0.08 -1.88 0.31 1.41 0.23 0.00 0.00 176.35 176.34 1v5r n HIS 52 N 10.64 -1.59 -3.77 0.29 8.25 -1.26 -1.45 115.22 126.34 1v5r n HIS 52 Ca 0.18 0.28 -0.29 0.00 -0.26 0.00 0.00 57.72 57.63 1v5r n HIS 52 Cb 0.49 -3.78 -0.01 0.00 1.12 0.00 0.00 29.99 27.82 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 -2.22 -3.73 0.00 0.41 4.13 -1.20 -4.75 115.26 107.90 1v5r n ASN 53 Ca -0.14 -0.67 0.00 0.00 1.68 0.00 0.00 54.58 55.45 1v5r n ASN 53 Cb 0.62 -3.06 0.00 0.00 -1.54 0.00 0.00 39.78 35.81 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 -4.11 0.40 -4.53 3.52 4.81 -0.53 -5.00 118.16 112.73 1v5r n LYS 54 Ca 0.03 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.18 1v5r n LYS 54 Cb 0.52 -0.75 -0.13 0.00 0.02 0.00 0.00 35.03 34.69 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 -1.50 2.39 -0.28 5.64 3.76 -1.06 -4.97 115.29 119.28 1v5r s HIS 55 Ca 0.00 -0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 54.53 1v5r s HIS 55 Cb 0.00 -1.33 0.03 0.00 1.11 0.00 0.00 32.58 32.39 1v5r s HIS 55 CO 0.00 0.29 -0.00 0.08 -0.85 0.00 0.00 174.74 174.26 1v5r s VAL 56 N -1.00 3.24 0.31 -0.90 1.01 -1.26 -0.77 120.40 121.02 1v5r s VAL 56 Ca 0.14 -1.03 0.07 0.00 0.00 0.00 0.00 61.98 61.16 1v5r s VAL 56 Cb -0.10 -2.71 -0.06 0.00 0.00 0.00 0.00 36.38 33.50 1v5r s VAL 56 CO 0.06 0.07 -0.05 -0.04 0.00 0.00 0.00 175.10 175.14 1v5r s MET 57 N 1.36 1.64 0.23 2.72 -1.94 -0.60 -1.99 119.30 120.72 1v5r s MET 57 Ca -0.01 -1.85 0.04 0.00 -1.71 0.00 0.00 55.69 52.17 1v5r s MET 57 Cb -0.18 -1.27 -0.05 0.00 2.01 0.00 0.00 34.83 35.34 1v5r s MET 57 CO -0.01 0.03 -0.03 0.14 -0.01 0.00 0.00 175.02 175.14 1v5r s VAL 58 N -2.94 1.17 -0.40 -6.03 -7.23 -0.57 -0.93 120.40 103.47 1v5r s VAL 58 Ca 0.31 -2.06 -0.11 0.00 -1.81 0.00 0.00 61.98 58.32 1v5r s VAL 58 Cb 0.04 -2.29 0.05 0.00 0.56 0.00 0.00 36.38 34.74 1v5r s VAL 58 CO 0.14 -0.38 0.24 -0.60 -0.31 0.00 0.00 175.10 174.19 1v5r s ARG 59 N -3.82 2.77 -0.43 4.82 6.06 -0.47 -3.31 118.95 124.56 1v5r s ARG 59 Ca 0.27 -1.23 0.04 0.00 -2.50 0.00 0.00 55.73 52.31 1v5r s ARG 59 Cb 0.05 -3.79 0.46 0.00 0.06 0.00 0.00 34.95 31.73 1v5r s ARG 59 CO 0.08 -0.81 1.53 1.33 -2.50 0.00 0.00 175.30 174.93 1v5r n VAL 60 N 4.99 2.95 -3.07 7.11 0.24 -1.17 -4.31 118.33 125.07 1v5r n VAL 60 Ca -0.11 -3.60 -0.02 0.00 -2.04 0.00 0.00 64.34 58.56 1v5r n VAL 60 Cb 0.45 -1.07 0.00 0.00 -1.47 0.00 0.00 33.84 31.75 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 -0.83 -1.24 0.00 7.63 0.00 -1.26 -4.48 105.19 105.01 1v5r n GLY 61 Ca 0.50 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.74 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 1.01 4.01 3.84 -0.02 0.00 -1.26 -5.09 105.19 107.68 1v5r n GLY 62 Ca -0.00 -0.85 -0.07 0.00 0.00 0.00 0.00 46.02 45.10 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 0.00 0.02 -0.14 -0.02 0.00 -1.26 -5.16 107.32 100.75 1v5r s GLY 63 Ca 0.00 -0.38 -0.03 0.00 0.00 0.00 0.00 44.72 44.31 1v5r s GLY 63 CO 0.00 -0.07 -0.06 -0.98 0.00 0.00 0.00 173.10 171.99 1v5r s TRP 64 N -3.43 2.98 0.34 1.90 0.52 -1.26 -3.07 118.94 116.92 1v5r s TRP 64 Ca 0.12 -0.33 0.06 0.00 0.02 0.00 0.00 56.10 55.97 1v5r s TRP 64 Cb -0.05 -1.92 -0.07 0.00 -1.15 0.00 0.00 33.47 30.28 1v5r s TRP 64 CO 0.08 -0.03 -0.01 -1.83 0.02 0.00 0.00 176.95 175.17 1v5r s GLU 65 N 0.26 1.73 -0.23 4.98 -1.05 -1.21 -4.90 118.70 118.27 1v5r s GLU 65 Ca -0.04 -1.94 -0.29 0.00 -0.15 0.00 0.00 54.97 52.55 1v5r s GLU 65 Cb -0.14 -1.28 -0.01 0.00 -0.44 0.00 0.00 34.13 32.26 1v5r s GLU 65 CO 0.03 -0.04 1.31 0.95 0.95 0.00 0.00 175.26 178.46 1v5r s THR 66 N -2.96 4.16 0.17 1.83 -4.23 -1.26 -1.51 115.64 111.85 1v5r s THR 66 Ca 0.34 1.35 -0.15 0.00 -1.18 0.00 0.00 61.69 62.05 1v5r s THR 66 Cb 0.07 -4.05 0.16 0.00 1.34 0.00 0.00 72.50 70.02 1v5r s THR 66 CO 0.15 -0.31 1.23 0.33 -0.54 0.00 0.00 174.62 175.48 1v5r n PHE 67 N 7.25 -0.03 -0.33 3.99 7.35 -0.84 0.23 117.46 135.08 1v5r n PHE 67 Ca 0.15 0.98 0.11 0.00 -0.76 0.00 0.00 57.45 57.92 1v5r n PHE 67 Cb 0.46 -0.76 0.31 0.00 0.35 0.00 0.00 39.48 39.83 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 1.00 1.67 -0.44 3.13 0.00 -1.91 -1.11 119.26 121.61 1v5r h ALA 68 Ca 0.25 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1v5r h ALA 68 Cb 0.45 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1v5r h ALA 68 CO -0.78 0.04 0.23 0.78 0.00 0.00 0.00 179.25 179.52 1v5r h GLY 69 N 0.83 0.65 1.73 0.00 0.00 0.26 -0.80 103.07 105.75 1v5r h GLY 69 Ca 0.51 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.45 1v5r h GLY 69 CO -0.28 0.29 -0.29 -1.82 0.00 0.00 0.00 176.54 174.44 1v5r h TYR 70 N 0.57 0.35 -0.23 5.60 5.03 -0.56 -2.60 116.97 125.12 1v5r h TYR 70 Ca 0.15 -0.07 -0.08 0.00 2.58 0.00 0.00 58.73 61.31 1v5r h TYR 70 Cb 0.06 -0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.25 1v5r h TYR 70 CO -0.02 0.57 -0.19 1.25 -1.32 0.00 0.00 178.16 178.46 1v5r h LEU 71 N 0.27 0.56 -0.96 2.82 5.85 -0.88 -3.15 115.31 119.83 1v5r h LEU 71 Ca 0.04 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.31 1v5r h LEU 71 Cb 0.65 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1v5r h LEU 71 CO 0.05 0.90 0.62 0.17 -0.34 0.00 0.00 178.44 179.84 1v5r h LEU 72 N 0.23 1.11 -0.41 2.25 8.10 -1.03 0.26 115.31 125.83 1v5r h LEU 72 Ca 0.04 -0.04 0.08 0.00 0.11 0.00 0.00 57.88 58.08 1v5r h LEU 72 Cb 0.72 -0.28 -0.09 0.00 -0.44 0.00 0.00 40.66 40.57 1v5r h LEU 72 CO 0.05 0.82 -0.26 0.11 -4.11 0.00 0.00 178.44 175.05 1v5r h LYS 73 N 1.31 -0.18 0.01 0.17 1.57 -1.42 -2.83 116.57 115.19 1v5r h LYS 73 Ca 0.35 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.09 1v5r h LYS 73 Cb -0.13 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1v5r h LYS 73 CO -0.07 -0.12 -0.21 0.45 -0.57 0.00 0.00 179.45 178.93 1v5r h HIS 74 N -0.19 0.18 -2.56 -1.35 3.86 -1.53 -3.44 115.15 110.13 1v5r h HIS 74 Ca 0.19 -0.11 -0.56 0.00 -1.16 0.00 0.00 60.37 58.73 1v5r h HIS 74 Cb 0.49 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 1v5r h HIS 74 CO -0.49 0.97 1.18 0.34 0.86 0.00 0.00 177.93 180.78 1v5r s ASP 75 N -6.31 6.35 -0.02 2.45 -1.08 0.90 -4.90 116.67 114.05 1v5r s ASP 75 Ca -0.17 1.98 -0.26 0.00 -0.52 0.00 0.00 52.55 53.59 1v5r s ASP 75 Cb -0.00 -2.53 -0.20 0.00 -1.46 0.00 0.00 42.92 38.72 1v5r s ASP 75 CO 0.73 -1.23 1.26 1.55 0.52 0.00 0.00 175.17 178.00 1v5r h PRO 76 N 10.96 -0.01 -0.36 4.34 0.13 -1.85 -2.93 132.00 142.28 1v5r h PRO 76 Ca -0.39 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.85 1v5r h PRO 76 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1v5r h PRO 76 CO 0.97 0.48 0.34 0.00 -0.23 0.00 0.00 178.00 179.56 1v5r h ARG 78 N 0.00 0.62 -1.09 0.00 3.08 -1.83 -3.25 114.38 111.91 1v5r h ARG 78 Ca 0.17 -0.64 0.39 0.00 0.07 0.00 0.00 59.98 59.97 1v5r h ARG 78 Cb 0.85 0.18 -0.15 0.00 0.08 0.00 0.00 29.97 30.92 1v5r h ARG 78 CO -0.00 1.24 0.64 0.52 -1.07 0.00 0.00 179.97 181.31 1v5r h MET 79 N 0.25 0.14 -1.19 0.04 2.86 -0.87 0.24 114.93 116.40 1v5r h MET 79 Ca -0.10 -0.01 0.42 0.00 -2.06 0.00 0.00 59.70 57.95 1v5r h MET 79 Cb 1.53 -0.03 -0.13 0.00 0.06 0.00 0.00 31.60 33.03 1v5r h MET 79 CO 0.17 0.09 0.75 1.28 1.06 0.00 0.00 176.91 180.26 1v5r n LEU 80 N -5.01 0.21 -3.20 1.22 4.77 -1.23 -4.58 117.00 109.18 1v5r n LEU 80 Ca 0.35 1.28 -0.40 0.00 -0.03 0.00 0.00 56.01 57.22 1v5r n LEU 80 Cb 1.22 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 41.63 1v5r n LEU 80 CO 0.10 -1.40 0.29 0.00 -1.33 0.00 0.00 177.39 175.05 1v5r n GLN 81 N -4.58 0.00 -0.21 3.23 1.13 0.85 -4.79 117.38 113.01 1v5r n GLN 81 Ca 0.36 0.00 0.01 0.00 -1.94 0.00 0.00 57.00 55.43 1v5r n GLN 81 Cb 1.38 -0.98 0.12 0.00 0.11 0.00 0.00 30.24 30.87 1v5r n GLN 81 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1v5r h ILE 82 N 1.75 0.68 -0.93 5.09 2.04 -1.90 -3.42 117.51 120.81 1v5r h ILE 82 Ca -0.32 -0.11 -0.80 0.00 1.00 0.00 0.00 64.86 64.63 1v5r h ILE 82 Cb 1.03 0.32 0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1v5r h ILE 82 CO 0.45 0.06 0.49 -0.24 0.00 0.00 0.00 178.15 178.91 1v5r n SER 83 N -5.07 0.83 -4.07 1.72 2.88 -1.26 -4.81 113.62 103.84 1v5r n SER 83 Ca 0.10 1.10 -0.36 0.00 -1.33 0.00 0.00 58.87 58.37 1v5r n SER 83 Cb 0.32 -0.83 0.06 0.00 -0.75 0.00 0.00 64.21 63.01 1v5r n SER 83 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1v5r n ARG 84 N 3.13 -0.19 -4.14 -1.46 5.12 -1.26 -4.97 116.66 112.89 1v5r n ARG 84 Ca 0.26 -0.05 -0.31 0.00 -1.93 0.00 0.00 57.85 55.82 1v5r n ARG 84 Cb -0.02 -1.16 -0.08 0.00 -1.16 0.00 0.00 32.46 30.05 1v5r n ARG 84 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1v5r s VAL 85 N -2.06 4.34 0.24 1.55 0.11 -1.26 -5.12 120.40 118.20 1v5r s VAL 85 Ca 0.42 -0.71 0.09 0.00 -2.93 0.00 0.00 61.98 58.85 1v5r s VAL 85 Cb -0.07 -3.03 -0.05 0.00 -1.53 0.00 0.00 36.38 31.71 1v5r s VAL 85 CO 0.73 0.23 -0.16 -0.62 -3.33 0.00 0.00 175.10 171.95 1v5r s ASP 86 N -2.04 3.01 -0.06 3.54 2.15 -1.26 -5.15 116.67 116.87 1v5r s ASP 86 Ca 0.25 -1.04 -0.05 0.00 0.43 0.00 0.00 52.55 52.14 1v5r s ASP 86 Cb -0.12 -0.21 0.02 0.00 -0.30 0.00 0.00 42.92 42.31 1v5r s ASP 86 CO 0.17 -0.10 0.15 -0.83 -0.17 0.00 0.00 175.17 174.39 1v5r s GLY 87 N -3.41 -0.10 0.29 2.66 0.00 -1.26 -5.08 107.32 100.42 1v5r s GLY 87 Ca 0.26 0.47 -0.08 0.00 0.00 0.00 0.00 44.72 45.37 1v5r s GLY 87 CO 0.11 0.47 0.47 0.54 0.00 0.00 0.00 173.10 174.69 1v5r s LYS 88 N 0.26 1.72 -0.81 2.90 1.02 -1.26 -5.09 119.74 118.47 1v5r s LYS 88 Ca -0.01 -1.50 -0.25 0.00 0.02 0.00 0.00 55.97 54.23 1v5r s LYS 88 Cb -0.03 0.46 -0.00 0.00 -0.52 0.00 0.00 37.83 37.74 1v5r s LYS 88 CO -0.01 -0.71 1.67 0.99 -0.92 0.00 0.00 175.35 176.37 1v5r s THR 89 N -3.52 3.58 -0.03 2.17 2.01 -1.26 -4.83 115.64 113.76 1v5r s THR 89 Ca 0.26 -0.13 -0.00 0.00 0.31 0.00 0.00 61.69 62.13 1v5r s THR 89 Cb -0.00 -4.41 -0.00 0.00 0.01 0.00 0.00 72.50 68.09 1v5r s THR 89 CO 0.14 -1.35 -0.01 0.28 -0.69 0.00 0.00 174.62 172.99 1v5r h SER 90 N 11.73 0.00 -2.89 3.53 0.02 -2.04 -3.45 113.55 120.45 1v5r h SER 90 Ca -0.06 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.35 1v5r h SER 90 Cb 1.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1v5r h SER 90 CO 1.28 0.16 0.84 -2.16 -1.14 0.00 0.00 176.83 175.80 1v5r s PRO 91 N -1.19 4.28 -0.30 3.45 0.04 -1.26 -4.97 135.00 135.04 1v5r s PRO 91 Ca -0.01 2.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.93 1v5r s PRO 91 Cb 0.00 -3.54 0.18 0.00 0.04 0.00 0.00 34.50 31.18 1v5r s PRO 91 CO 0.01 -0.58 1.06 -1.54 0.04 0.00 0.00 177.00 175.99 1v5r s SER 92 N 1.87 -0.42 0.00 6.66 1.04 -1.26 -5.16 113.70 116.43 1v5r s SER 92 Ca 0.65 0.19 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1v5r s SER 92 Cb -0.33 1.32 0.00 0.00 0.10 0.00 0.00 66.02 67.11 1v5r s SER 92 CO 0.28 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 175.03 1v5r n GLY 93 N 5.36 0.31 2.97 7.32 0.00 -1.26 -5.18 105.19 114.71 1v5r n GLY 93 Ca -0.02 0.69 -0.25 0.00 0.00 0.00 0.00 46.02 46.44 1v5r n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v5r n PRO 94 N 0.00 -2.83 -3.64 1.61 -0.04 -1.26 -5.10 135.00 123.74 1v5r n PRO 94 Ca 0.00 -1.48 -0.10 0.00 -0.04 0.00 0.00 63.50 61.88 1v5r n PRO 94 Cb 0.00 -1.39 -0.07 0.00 -0.04 0.00 0.00 33.50 32.00 1v5r n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v5r s SER 95 N -4.00 -0.57 0.06 3.54 0.15 -1.26 -5.18 113.70 106.44 1v5r s SER 95 Ca 0.60 1.07 -0.27 0.00 0.70 0.00 0.00 55.95 58.05 1v5r s SER 95 Cb -0.06 1.11 0.07 0.00 -1.71 0.00 0.00 66.02 65.43 1v5r s SER 95 CO 0.46 -0.18 0.64 -0.55 1.20 0.00 0.00 173.24 174.81 1v5r s SER 96 N 0.49 -0.61 0.00 5.45 0.15 -1.26 -5.37 113.70 112.55 1v5r s SER 96 Ca 0.00 0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.99 1v5r s SER 96 Cb -0.05 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 1v5r s SER 96 CO -0.06 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 174.19