#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 -0.49 0.02 1.61 0.01 -1.26 -5.17 113.70 108.42 1v5r s SER 2 Ca 0.00 0.85 -0.00 0.00 1.31 0.00 0.00 55.95 58.10 1v5r s SER 2 Cb 0.00 0.87 -0.02 0.00 0.21 0.00 0.00 66.02 67.08 1v5r s SER 2 CO 0.00 -0.25 -0.02 -0.44 0.41 0.00 0.00 173.24 172.94 1v5r s SER 3 N -0.10 0.23 0.00 2.44 0.01 -1.26 -5.17 113.70 109.86 1v5r s SER 3 Ca -0.03 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.74 1v5r s SER 3 Cb -0.03 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.30 1v5r s SER 3 CO 0.02 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1v5r n GLY 4 N 1.59 -2.11 3.12 3.44 0.00 -1.26 -5.02 105.19 104.96 1v5r n GLY 4 Ca -0.24 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 1v5r n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v5r s SER 5 N -1.59 4.44 -0.20 1.61 1.04 -1.26 -4.97 113.70 112.77 1v5r s SER 5 Ca 0.00 -1.25 -0.15 0.00 0.48 0.00 0.00 55.95 55.04 1v5r s SER 5 Cb 0.00 -1.60 -0.08 0.00 0.10 0.00 0.00 66.02 64.44 1v5r s SER 5 CO 0.00 -0.19 -0.32 -1.54 0.98 0.00 0.00 173.24 172.17 1v5r n SER 6 N 4.52 1.82 0.00 7.02 3.41 -1.26 -5.10 113.62 124.03 1v5r n SER 6 Ca -0.15 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1v5r n SER 6 Cb 0.44 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1v5r n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v5r n GLY 7 N 1.54 0.97 3.05 5.00 0.00 -1.26 -5.14 105.19 109.34 1v5r n GLY 7 Ca -0.30 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 44.82 1v5r n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1v5r s ASN 8 N 0.00 2.18 -0.01 1.61 2.47 -1.26 -5.04 114.94 114.90 1v5r s ASN 8 Ca 0.00 -0.37 -0.24 0.00 0.42 0.00 0.00 52.86 52.66 1v5r s ASN 8 Cb 0.00 -0.98 -0.19 0.00 -1.45 0.00 0.00 41.25 38.63 1v5r s ASN 8 CO 0.00 0.03 1.29 -0.07 -3.72 0.00 0.00 177.10 174.63 1v5r h LEU 9 N 7.20 0.11 -0.11 3.21 -0.00 -2.00 -3.19 115.31 120.52 1v5r h LEU 9 Ca -0.30 -0.49 0.01 0.00 -0.00 0.00 0.00 57.88 57.11 1v5r h LEU 9 Cb 1.18 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.80 1v5r h LEU 9 CO 0.47 0.57 -0.08 0.25 -0.00 0.00 0.00 178.44 179.65 1v5r h LEU 10 N -0.36 -0.30 -0.56 1.67 5.85 -1.99 0.20 115.31 119.83 1v5r h LEU 10 Ca 0.01 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.82 1v5r h LEU 10 Cb 0.54 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.63 1v5r h LEU 10 CO 0.01 -0.04 -0.38 -0.78 -0.34 0.00 0.00 178.44 176.91 1v5r h ASP 11 N -0.02 -1.37 -0.51 1.25 3.58 -1.99 0.12 116.42 117.48 1v5r h ASP 11 Ca 0.02 0.20 0.07 0.00 0.42 0.00 0.00 57.03 57.74 1v5r h ASP 11 Cb 0.07 0.60 -0.10 0.00 1.72 0.00 0.00 39.33 41.62 1v5r h ASP 11 CO -0.12 -0.18 -0.49 0.44 -2.88 0.00 0.00 179.24 176.02 1v5r h ASP 12 N -0.06 -1.66 -0.23 2.28 3.32 -1.39 -1.43 116.42 117.24 1v5r h ASP 12 Ca 0.09 0.25 0.05 0.00 0.02 0.00 0.00 57.03 57.44 1v5r h ASP 12 Cb 0.30 0.72 -0.07 0.00 0.22 0.00 0.00 39.33 40.49 1v5r h ASP 12 CO -0.56 -0.36 -0.42 0.00 -1.72 0.00 0.00 179.24 176.18 1v5r h ALA 13 N 0.33 -0.53 -1.05 3.45 0.00 0.69 0.39 119.26 122.54 1v5r h ALA 13 Ca 0.13 0.02 0.30 0.00 0.00 0.00 0.00 54.91 55.36 1v5r h ALA 13 Cb 0.57 0.82 -0.13 0.00 0.00 0.00 0.00 17.79 19.06 1v5r h ALA 13 CO -0.65 -0.90 0.63 0.28 0.00 0.00 0.00 179.25 178.61 1v5r h VAL 14 N -0.43 0.41 -0.19 0.00 2.07 0.12 0.17 116.25 118.39 1v5r h VAL 14 Ca 0.10 -0.14 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 1v5r h VAL 14 Cb 0.61 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1v5r h VAL 14 CO -0.46 0.07 -0.07 0.50 0.02 0.00 0.00 177.57 177.63 1v5r h LYS 15 N 0.39 0.38 -0.31 1.57 3.64 0.02 -2.81 116.57 119.47 1v5r h LYS 15 Ca 0.68 -0.16 0.05 0.00 -1.27 0.00 0.00 60.65 59.95 1v5r h LYS 15 Cb 1.60 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 33.32 1v5r h LYS 15 CO -0.47 0.66 -0.51 0.00 -2.27 0.00 0.00 179.45 176.86 1v5r h ARG 16 N 0.08 -0.43 -0.69 1.90 2.47 0.52 0.41 114.38 118.65 1v5r h ARG 16 Ca 0.05 0.03 0.09 0.00 -1.26 0.00 0.00 59.98 58.89 1v5r h ARG 16 Cb 0.54 0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 28.88 1v5r h ARG 16 CO 0.02 -0.29 0.32 0.82 0.56 0.00 0.00 179.97 181.41 1v5r h ILE 17 N -0.44 0.82 0.00 2.04 2.04 -1.53 0.20 117.51 120.64 1v5r h ILE 17 Ca 0.08 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1v5r h ILE 17 Cb 0.62 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.92 1v5r h ILE 17 CO -0.53 0.10 -0.14 0.77 0.00 0.00 0.00 178.15 178.35 1v5r h SER 18 N 0.55 0.00 -0.39 1.72 4.64 -0.89 -2.16 113.55 117.02 1v5r h SER 18 Ca 0.34 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.52 1v5r h SER 18 Cb 0.38 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.38 1v5r h SER 18 CO -0.28 0.14 0.03 -0.62 -0.87 0.00 0.00 176.83 175.24 1v5r n GLU 19 N -3.72 2.40 -3.15 4.77 1.02 0.13 -4.39 120.64 117.70 1v5r n GLU 19 Ca -0.02 -3.04 0.06 0.00 -0.02 0.00 0.00 57.16 54.14 1v5r n GLU 19 Cb 0.26 -1.88 -0.01 0.00 -0.02 0.00 0.00 31.44 29.78 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 -2.12 -0.37 0.46 1.62 -1.08 0.46 -3.93 116.67 111.71 1v5r s ASP 20 Ca 0.45 0.13 -0.23 0.00 -0.52 0.00 0.00 52.55 52.39 1v5r s ASP 20 Cb 0.39 1.27 -0.07 0.00 -1.46 0.00 0.00 42.92 43.04 1v5r s ASP 20 CO 0.05 -0.07 1.16 -2.16 0.52 0.00 0.00 175.17 174.67 1v5r s PRO 21 N 2.96 3.74 0.08 4.34 0.04 -1.25 -4.37 135.00 140.54 1v5r s PRO 21 Ca 0.12 1.76 -0.31 0.00 0.04 0.00 0.00 61.00 62.62 1v5r s PRO 21 Cb -0.06 -2.38 -0.07 0.00 0.04 0.00 0.00 34.50 32.03 1v5r s PRO 21 CO -0.16 -0.57 1.39 -1.25 0.04 0.00 0.00 177.00 176.45 1v5r s PRO 22 N -2.73 4.32 -0.33 0.56 0.04 -1.25 -4.86 135.00 130.75 1v5r s PRO 22 Ca 0.64 2.03 -0.36 0.00 0.04 0.00 0.00 61.00 63.35 1v5r s PRO 22 Cb -0.28 -3.35 -0.12 0.00 0.04 0.00 0.00 34.50 30.79 1v5r s PRO 22 CO 0.34 -0.47 2.12 0.00 0.04 0.00 0.00 177.00 179.04 1v5r h LYS 24 N 11.60 -0.25 -4.92 0.00 1.79 -1.91 -3.45 116.57 119.43 1v5r h LYS 24 Ca -0.30 0.02 -0.48 0.00 -2.18 0.00 0.00 60.65 57.71 1v5r h LYS 24 Cb 1.32 0.06 0.16 0.00 -1.58 0.00 0.00 32.23 32.19 1v5r h LYS 24 CO 1.01 -0.16 -1.13 0.00 -1.08 0.00 0.00 179.45 178.09 1v5r n PRO 26 N 1.49 0.48 -4.67 0.00 -0.04 -1.26 -4.65 135.00 126.34 1v5r n PRO 26 Ca 0.04 0.01 -0.23 0.00 -0.04 0.00 0.00 63.50 63.28 1v5r n PRO 26 Cb 0.41 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.22 1v5r n PRO 26 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1v5r s THR 27 N -2.02 1.15 0.27 0.52 -1.32 -1.26 -5.14 115.64 107.83 1v5r s THR 27 Ca 0.23 -0.61 -0.10 0.00 -1.21 0.00 0.00 61.69 60.00 1v5r s THR 27 Cb 0.11 -0.96 -0.07 0.00 -1.51 0.00 0.00 72.50 70.06 1v5r s THR 27 CO 0.18 0.33 0.60 -0.75 -2.21 0.00 0.00 174.62 172.77 1v5r s LYS 28 N -0.28 3.80 1.08 7.08 2.47 -1.26 -4.92 119.74 127.72 1v5r s LYS 28 Ca 0.04 0.30 -0.13 0.00 -1.56 0.00 0.00 55.97 54.63 1v5r s LYS 28 Cb -0.06 -2.59 0.24 0.00 -1.46 0.00 0.00 37.83 33.95 1v5r s LYS 28 CO -0.00 0.24 1.06 0.12 0.16 0.00 0.00 175.35 176.93 1v5r s PHE 29 N -1.94 1.74 -0.44 4.03 5.36 -1.26 -4.97 117.98 120.49 1v5r s PHE 29 Ca 0.48 1.07 -0.18 0.00 -0.96 0.00 0.00 56.93 57.34 1v5r s PHE 29 Cb -0.11 -3.19 0.03 0.00 -0.34 0.00 0.00 43.02 39.41 1v5r s PHE 29 CO 0.23 -3.39 0.51 0.00 -1.46 0.00 0.00 175.22 171.12 1v5r s VAL 31 N 2.37 0.01 -0.01 0.00 1.01 -1.20 -2.19 120.40 120.39 1v5r s VAL 31 Ca 0.15 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1v5r s VAL 31 Cb -0.17 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1v5r s VAL 31 CO 0.15 -0.45 -0.01 -0.70 0.00 0.00 0.00 175.10 174.09 1v5r s GLU 32 N 2.08 0.19 -0.14 2.72 2.56 -1.22 -4.93 118.70 119.96 1v5r s GLU 32 Ca 0.04 -0.02 -0.29 0.00 0.00 0.00 0.00 54.97 54.70 1v5r s GLU 32 Cb -0.16 -0.25 -0.01 0.00 2.00 0.00 0.00 34.13 35.71 1v5r s GLU 32 CO -0.19 -0.01 1.15 0.50 -0.56 0.00 0.00 175.26 176.14 1v5r s ARG 33 N 0.29 4.30 -0.25 4.30 3.52 -1.26 -0.23 118.95 129.61 1v5r s ARG 33 Ca -0.03 1.54 -0.15 0.00 -0.13 0.00 0.00 55.73 56.97 1v5r s ARG 33 Cb -0.05 -3.64 -0.15 0.00 -1.56 0.00 0.00 34.95 29.56 1v5r s ARG 33 CO -0.01 -0.55 -0.17 1.28 -0.81 0.00 0.00 175.30 175.04 1v5r n LEU 34 N 5.88 2.02 -3.84 -0.88 4.77 -0.48 -4.96 117.00 119.52 1v5r n LEU 34 Ca 0.12 0.32 -0.09 0.00 -0.03 0.00 0.00 56.01 56.33 1v5r n LEU 34 Cb 0.46 -0.88 0.02 0.00 -2.33 0.00 0.00 43.42 40.69 1v5r n LEU 34 CO 0.54 0.53 0.49 -0.44 -1.33 0.00 0.00 177.39 177.18 1v5r s SER 35 N -7.25 0.07 -0.34 -1.43 0.01 -1.18 -5.02 113.70 98.55 1v5r s SER 35 Ca -0.35 -1.15 -0.36 0.00 1.31 0.00 0.00 55.95 55.40 1v5r s SER 35 Cb 0.12 0.83 -0.12 0.00 0.21 0.00 0.00 66.02 67.05 1v5r s SER 35 CO 0.53 -1.64 2.12 0.00 0.41 0.00 0.00 173.24 174.67 1v5r n GLN 36 N -0.53 1.06 -2.90 12.44 6.02 -1.26 -0.23 117.38 131.97 1v5r n GLN 36 Ca -0.07 0.31 -0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1v5r n GLN 36 Cb 0.60 -2.36 0.03 0.00 1.02 0.00 0.00 30.24 29.53 1v5r n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1v5r n GLY 37 N 6.26 0.17 3.07 1.08 0.00 -1.26 -5.03 105.19 109.47 1v5r n GLY 37 Ca 0.40 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -5.46 0.21 0.01 1.61 3.52 0.68 -3.37 118.95 116.14 1v5r s ARG 38 Ca 0.24 0.64 -0.00 0.00 -0.13 0.00 0.00 55.73 56.49 1v5r s ARG 38 Cb -0.11 -0.07 -0.01 0.00 -1.56 0.00 0.00 34.95 33.20 1v5r s ARG 38 CO 0.30 -0.21 -0.01 0.71 -0.81 0.00 0.00 175.30 175.28 1v5r s TYR 39 N 1.71 0.13 -0.64 5.12 1.51 -1.04 -1.38 117.35 122.76 1v5r s TYR 39 Ca -0.06 -0.26 -0.26 0.00 -1.01 0.00 0.00 57.07 55.49 1v5r s TYR 39 Cb -0.11 -0.09 0.04 0.00 -0.11 0.00 0.00 41.96 41.69 1v5r s TYR 39 CO -0.09 -0.09 1.11 0.50 -1.11 0.00 0.00 175.55 175.87 1v5r s ARG 40 N -0.72 3.28 -0.33 -0.62 3.52 0.67 -3.22 118.95 121.53 1v5r s ARG 40 Ca -0.08 -0.26 -0.13 0.00 -0.13 0.00 0.00 55.73 55.14 1v5r s ARG 40 Cb -0.05 -4.12 -0.02 0.00 -1.56 0.00 0.00 34.95 29.20 1v5r s ARG 40 CO -0.00 -1.81 0.24 0.08 -0.81 0.00 0.00 175.30 173.00 1v5r s VAL 41 N 4.77 5.28 0.00 7.11 1.01 -0.78 -3.22 120.40 134.57 1v5r s VAL 41 Ca 0.33 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1v5r s VAL 41 Cb -0.11 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1v5r s VAL 41 CO 0.17 0.02 0.00 0.61 0.00 0.00 0.00 175.10 175.90 1v5r n GLY 42 N 5.09 2.58 0.58 4.51 0.00 -0.93 -1.44 105.19 115.57 1v5r n GLY 42 Ca -0.13 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.26 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 5.83 1.59 -3.96 1.61 2.13 -1.26 -4.73 120.64 121.84 1v5r n GLU 43 Ca 0.00 -3.18 -0.08 0.00 0.66 0.00 0.00 57.16 54.56 1v5r n GLU 43 Cb 0.00 -1.62 -0.08 0.00 0.27 0.00 0.00 31.44 30.00 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 -3.18 0.82 -0.19 5.31 1.02 -0.52 -5.15 119.74 117.85 1v5r s LYS 44 Ca 0.38 -1.09 -0.05 0.00 0.02 0.00 0.00 55.97 55.22 1v5r s LYS 44 Cb 0.36 0.30 -0.03 0.00 -0.52 0.00 0.00 37.83 37.94 1v5r s LYS 44 CO -0.05 -0.24 0.01 0.42 -0.92 0.00 0.00 175.35 174.57 1v5r s ILE 45 N -3.90 4.10 0.21 2.17 -1.09 -1.26 -1.87 121.20 119.56 1v5r s ILE 45 Ca 0.08 -0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.26 1v5r s ILE 45 Cb 0.06 -2.84 -0.05 0.00 -1.58 0.00 0.00 42.46 38.05 1v5r s ILE 45 CO -0.08 0.44 0.02 -0.76 -1.23 0.00 0.00 174.94 173.33 1v5r s LEU 46 N 0.77 2.04 -0.46 2.97 1.43 -1.20 -5.00 118.68 119.24 1v5r s LEU 46 Ca 0.01 -1.24 -0.06 0.00 -1.03 0.00 0.00 54.13 51.81 1v5r s LEU 46 Cb -0.14 -0.12 0.12 0.00 0.03 0.00 0.00 46.19 46.08 1v5r s LEU 46 CO 0.02 -0.58 0.30 -0.36 0.23 0.00 0.00 176.35 175.95 1v5r s PHE 47 N -3.59 3.50 -0.11 0.29 0.40 -1.25 -2.49 117.98 114.73 1v5r s PHE 47 Ca 0.29 -2.15 -0.21 0.00 -0.60 0.00 0.00 56.93 54.27 1v5r s PHE 47 Cb 0.06 -3.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.18 1v5r s PHE 47 CO 0.08 -0.98 0.58 0.42 0.70 0.00 0.00 175.22 176.02 1v5r s ILE 48 N 1.19 5.11 0.27 0.64 1.01 -1.22 -1.12 121.20 127.08 1v5r s ILE 48 Ca 0.07 1.17 0.04 0.00 0.00 0.00 0.00 60.65 61.93 1v5r s ILE 48 Cb -0.24 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 1v5r s ILE 48 CO -0.02 0.27 0.02 0.00 0.00 0.00 0.00 174.94 175.20 1v5r s ARG 49 N 0.85 1.46 -0.45 2.79 1.70 -0.33 -4.41 118.95 120.55 1v5r s ARG 49 Ca 0.31 -1.76 0.01 0.00 -0.47 0.00 0.00 55.73 53.81 1v5r s ARG 49 Cb -0.16 -0.72 0.12 0.00 -0.57 0.00 0.00 34.95 33.62 1v5r s ARG 49 CO 0.13 -0.12 0.21 1.41 -1.08 0.00 0.00 175.30 175.85 1v5r s MET 50 N -3.87 1.92 -0.14 3.89 1.75 -1.26 -1.74 119.30 119.84 1v5r s MET 50 Ca 0.32 -2.16 -0.29 0.00 -1.25 0.00 0.00 55.69 52.30 1v5r s MET 50 Cb 0.06 -3.42 -0.04 0.00 2.84 0.00 0.00 34.83 34.28 1v5r s MET 50 CO 0.11 -1.05 1.67 -0.48 -0.65 0.00 0.00 175.02 174.62 1v5r s LEU 51 N 0.50 4.07 -1.85 4.11 2.34 0.19 -2.35 118.68 125.69 1v5r s LEU 51 Ca 0.13 1.93 0.00 0.00 0.06 0.00 0.00 54.13 56.25 1v5r s LEU 51 Cb -0.22 -3.53 0.00 0.00 -0.56 0.00 0.00 46.19 41.88 1v5r s LEU 51 CO -0.04 -1.14 0.00 1.41 -1.06 0.00 0.00 176.35 175.52 1v5r n HIS 52 N 8.00 -0.77 -2.48 3.48 8.25 -1.26 -2.09 115.22 128.36 1v5r n HIS 52 Ca 0.19 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.63 1v5r n HIS 52 Cb 0.44 -3.83 -0.00 0.00 1.12 0.00 0.00 29.99 27.72 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 -1.81 -1.48 0.00 0.41 4.13 -0.99 -4.59 115.26 110.93 1v5r n ASN 53 Ca -0.24 0.45 0.00 0.00 1.68 0.00 0.00 54.58 56.47 1v5r n ASN 53 Cb 0.68 -1.39 0.00 0.00 -1.54 0.00 0.00 39.78 37.54 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 -2.54 1.69 -5.16 3.52 4.81 -0.94 -5.06 118.16 114.48 1v5r n LYS 54 Ca -0.02 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.12 1v5r n LYS 54 Cb 0.51 -0.82 -0.16 0.00 0.02 0.00 0.00 35.03 34.58 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 -1.65 2.24 -0.45 5.64 3.76 -0.89 -5.01 115.29 118.94 1v5r s HIS 55 Ca 0.00 -0.63 -0.11 0.00 -0.15 0.00 0.00 55.06 54.16 1v5r s HIS 55 Cb 0.00 -1.47 0.09 0.00 1.11 0.00 0.00 32.58 32.30 1v5r s HIS 55 CO 0.00 -0.18 0.32 0.08 -0.85 0.00 0.00 174.74 174.11 1v5r s VAL 56 N -0.17 4.52 0.35 -0.90 1.01 -1.26 -0.63 120.40 123.32 1v5r s VAL 56 Ca -0.02 -1.40 0.08 0.00 0.00 0.00 0.00 61.98 60.64 1v5r s VAL 56 Cb -0.13 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 1v5r s VAL 56 CO 0.03 -0.60 0.17 -0.04 0.00 0.00 0.00 175.10 174.66 1v5r s MET 57 N 1.47 2.39 0.28 2.72 -1.94 -0.71 -1.31 119.30 122.21 1v5r s MET 57 Ca 0.04 -1.56 0.09 0.00 -1.71 0.00 0.00 55.69 52.55 1v5r s MET 57 Cb -0.24 -2.19 -0.06 0.00 2.01 0.00 0.00 34.83 34.35 1v5r s MET 57 CO 0.03 0.07 -0.11 0.14 -0.01 0.00 0.00 175.02 175.13 1v5r s VAL 58 N -2.44 2.01 -0.48 -6.03 -7.23 0.56 -1.19 120.40 105.61 1v5r s VAL 58 Ca 0.39 -2.23 -0.12 0.00 -1.81 0.00 0.00 61.98 58.21 1v5r s VAL 58 Cb -0.02 -2.40 0.11 0.00 0.56 0.00 0.00 36.38 34.62 1v5r s VAL 58 CO 0.23 -0.35 0.38 -0.60 -0.31 0.00 0.00 175.10 174.45 1v5r s ARG 59 N -3.63 2.73 -0.64 4.82 3.00 -0.27 -3.30 118.95 121.65 1v5r s ARG 59 Ca 0.29 -1.62 -0.01 0.00 -1.00 0.00 0.00 55.73 53.39 1v5r s ARG 59 Cb 0.01 -4.03 0.45 0.00 0.00 0.00 0.00 34.95 31.37 1v5r s ARG 59 CO 0.13 -1.15 1.96 1.33 0.00 0.00 0.00 175.30 177.56 1v5r n VAL 60 N 5.05 3.53 0.00 7.11 0.24 -0.86 -3.92 118.33 129.48 1v5r n VAL 60 Ca -0.11 -3.13 0.00 0.00 -2.04 0.00 0.00 64.34 59.06 1v5r n VAL 60 Cb 0.41 -1.16 0.00 0.00 -1.47 0.00 0.00 33.84 31.62 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 -0.88 2.27 2.80 7.63 0.00 -1.26 -4.30 105.19 111.45 1v5r n GLY 61 Ca 0.61 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 46.36 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 5.80 0.00 -0.02 0.00 -1.26 -5.00 105.19 104.71 1v5r n GLY 62 Ca 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.08 3.00 2.78 -0.02 0.00 -1.26 -5.13 105.19 104.48 1v5r n GLY 63 Ca 0.38 -1.22 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 0.59 0.42 1.61 0.52 -1.26 -2.03 118.94 116.79 1v5r s TRP 64 Ca 0.00 -0.12 0.06 0.00 0.02 0.00 0.00 56.10 56.06 1v5r s TRP 64 Cb 0.00 -0.72 -0.07 0.00 -1.15 0.00 0.00 33.47 31.53 1v5r s TRP 64 CO 0.00 -0.28 0.05 -1.83 0.02 0.00 0.00 176.95 174.91 1v5r s GLU 65 N 1.79 2.04 -0.16 4.98 -1.05 -1.21 -4.84 118.70 120.25 1v5r s GLU 65 Ca 0.02 -2.09 -0.29 0.00 -0.15 0.00 0.00 54.97 52.46 1v5r s GLU 65 Cb -0.13 -1.70 -0.01 0.00 -0.44 0.00 0.00 34.13 31.85 1v5r s GLU 65 CO -0.04 -0.11 1.25 0.95 0.95 0.00 0.00 175.26 178.26 1v5r s THR 66 N -2.71 4.29 0.28 1.83 -4.23 -1.26 -0.32 115.64 113.52 1v5r s THR 66 Ca 0.33 1.56 0.01 0.00 -1.18 0.00 0.00 61.69 62.41 1v5r s THR 66 Cb 0.08 -4.01 0.39 0.00 1.34 0.00 0.00 72.50 70.30 1v5r s THR 66 CO 0.17 -0.13 1.42 0.33 -0.54 0.00 0.00 174.62 175.87 1v5r n PHE 67 N 6.50 0.55 -0.25 3.99 7.35 -0.43 0.23 117.46 135.40 1v5r n PHE 67 Ca 0.14 1.09 -0.00 0.00 -0.76 0.00 0.00 57.45 57.92 1v5r n PHE 67 Cb 0.45 -1.17 0.22 0.00 0.35 0.00 0.00 39.48 39.33 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 1.81 1.42 -0.26 3.13 0.00 -1.91 -1.21 119.26 122.25 1v5r h ALA 68 Ca 0.54 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.27 1v5r h ALA 68 Cb 1.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1v5r h ALA 68 CO -0.86 0.53 -0.35 0.78 0.00 0.00 0.00 179.25 179.36 1v5r h GLY 69 N 1.09 0.62 1.50 0.00 0.00 0.25 -1.64 103.07 104.89 1v5r h GLY 69 Ca 0.29 -0.58 -0.17 0.00 0.00 0.00 0.00 47.33 46.87 1v5r h GLY 69 CO -0.06 0.53 -0.63 -1.82 0.00 0.00 0.00 176.54 174.56 1v5r h TYR 70 N 0.48 0.66 0.01 5.60 5.03 -0.66 -2.64 116.97 125.45 1v5r h TYR 70 Ca 0.05 -0.26 -0.00 0.00 2.58 0.00 0.00 58.73 61.11 1v5r h TYR 70 Cb 0.83 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.00 1v5r h TYR 70 CO 0.03 1.00 -0.00 1.25 -1.32 0.00 0.00 178.16 179.12 1v5r h LEU 71 N 0.37 -0.01 -1.10 2.82 5.85 -1.14 -3.19 115.31 118.92 1v5r h LEU 71 Ca -0.01 -0.50 0.09 0.00 0.84 0.00 0.00 57.88 58.30 1v5r h LEU 71 Cb 1.19 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.15 1v5r h LEU 71 CO 0.11 0.50 0.61 0.17 -0.34 0.00 0.00 178.44 179.50 1v5r h LEU 72 N -0.52 0.92 -0.20 2.25 8.10 -1.36 0.12 115.31 124.63 1v5r h LEU 72 Ca -0.00 0.02 0.06 0.00 0.11 0.00 0.00 57.88 58.07 1v5r h LEU 72 Cb 0.51 -0.17 -0.07 0.00 -0.44 0.00 0.00 40.66 40.49 1v5r h LEU 72 CO 0.00 0.55 -0.29 0.11 -4.11 0.00 0.00 178.44 174.70 1v5r h LYS 73 N 1.02 -0.32 0.15 0.17 1.57 -1.46 -3.07 116.57 114.63 1v5r h LYS 73 Ca 0.43 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.23 1v5r h LYS 73 Cb 0.32 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1v5r h LYS 73 CO -0.19 -0.21 -0.07 0.45 -0.57 0.00 0.00 179.45 178.86 1v5r h HIS 74 N -0.33 -0.18 -2.08 -1.35 3.86 -1.45 -3.44 115.15 110.18 1v5r h HIS 74 Ca 0.12 -0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.74 1v5r h HIS 74 Cb 0.51 0.06 0.01 0.00 1.06 0.00 0.00 27.41 29.06 1v5r h HIS 74 CO -0.42 0.27 1.22 -3.47 0.86 0.00 0.00 177.93 176.39 1v5r n ASP 75 N -4.91 3.61 -0.04 2.45 -0.08 0.38 -4.88 116.55 113.08 1v5r n ASP 75 Ca -0.08 0.82 -0.13 0.00 -1.51 0.00 0.00 54.79 53.89 1v5r n ASP 75 Cb 0.27 -1.44 -0.08 0.00 2.34 0.00 0.00 41.12 42.21 1v5r n ASP 75 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1v5r h PRO 76 N 10.64 0.24 -0.67 -0.67 0.13 -1.85 -2.90 132.00 136.93 1v5r h PRO 76 Ca -0.47 -0.12 0.06 0.00 -0.87 0.00 0.00 66.00 64.60 1v5r h PRO 76 Cb 1.26 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 1v5r h PRO 76 CO 0.95 0.65 0.44 0.00 -0.23 0.00 0.00 178.00 179.82 1v5r h ARG 78 N 0.68 0.79 -1.92 0.00 3.08 -1.84 -2.87 114.38 112.32 1v5r h ARG 78 Ca 0.29 -0.26 0.56 0.00 0.07 0.00 0.00 59.98 60.63 1v5r h ARG 78 Cb 0.26 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.16 1v5r h ARG 78 CO -0.09 0.86 1.40 0.52 -1.07 0.00 0.00 179.97 181.60 1v5r h MET 79 N 0.63 0.00 -0.81 0.04 2.86 -1.13 0.34 114.93 116.86 1v5r h MET 79 Ca 0.12 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.96 1v5r h MET 79 Cb 0.52 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.05 1v5r h MET 79 CO 0.03 0.00 0.16 -0.07 1.06 0.00 0.00 176.91 178.09 1v5r h LEU 80 N 0.00 -0.08-10.23 1.22 3.38 -1.60 -3.41 115.31 104.58 1v5r h LEU 80 Ca 0.91 0.18 -0.44 0.00 0.09 0.00 0.00 57.88 58.63 1v5r h LEU 80 Cb 3.70 0.27 0.19 0.00 0.09 0.00 0.00 40.66 44.91 1v5r h LEU 80 CO -0.01 -0.13 0.07 0.00 0.09 0.00 0.00 178.44 178.46 1v5r s GLN 81 N -6.01 -0.57 -0.11 1.13 -2.07 0.12 -5.00 119.66 107.15 1v5r s GLN 81 Ca -0.13 0.65 -0.15 0.00 -1.82 0.00 0.00 55.36 53.91 1v5r s GLN 81 Cb 0.24 -1.61 -0.05 0.00 -1.09 0.00 0.00 33.01 30.50 1v5r s GLN 81 CO 0.76 -3.44 0.37 -1.50 -1.32 0.00 0.00 175.29 170.16 1v5r s ILE 82 N -2.66 5.21 -0.10 3.63 1.10 -1.26 -5.07 121.20 122.05 1v5r s ILE 82 Ca 0.67 0.72 -0.30 0.00 -0.51 0.00 0.00 60.65 61.23 1v5r s ILE 82 Cb -0.22 -3.69 0.09 0.00 0.15 0.00 0.00 42.46 38.79 1v5r s ILE 82 CO 0.62 0.43 0.81 -0.55 -2.11 0.00 0.00 174.94 174.14 1v5r s SER 83 N 0.05 -0.54 -0.07 4.50 0.15 -1.26 -5.14 113.70 111.39 1v5r s SER 83 Ca 0.21 0.61 -0.30 0.00 0.70 0.00 0.00 55.95 57.17 1v5r s SER 83 Cb -0.14 0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.61 1v5r s SER 83 CO 0.08 -0.49 1.10 -0.13 1.20 0.00 0.00 173.24 175.01 1v5r s ARG 84 N -1.11 4.39 -0.12 5.44 1.81 -1.26 -5.03 118.95 123.08 1v5r s ARG 84 Ca -0.07 1.54 0.01 0.00 -1.72 0.00 0.00 55.73 55.49 1v5r s ARG 84 Cb -0.00 -3.54 0.02 0.00 -0.45 0.00 0.00 34.95 30.98 1v5r s ARG 84 CO 0.06 -0.37 -0.13 0.54 -0.68 0.00 0.00 175.30 174.72 1v5r s VAL 85 N 2.04 1.43 -0.25 3.52 0.11 -1.26 -5.11 120.40 120.87 1v5r s VAL 85 Ca 0.52 -0.57 -0.27 0.00 -2.93 0.00 0.00 61.98 58.74 1v5r s VAL 85 Cb -0.22 -1.34 0.14 0.00 -1.53 0.00 0.00 36.38 33.44 1v5r s VAL 85 CO 0.21 0.43 1.13 1.51 -3.33 0.00 0.00 175.10 175.05 1v5r s ASP 86 N 1.27 -0.32 0.00 3.54 -4.77 -1.26 -5.19 116.67 109.94 1v5r s ASP 86 Ca -0.01 0.53 0.00 0.00 -3.30 0.00 0.00 52.55 49.77 1v5r s ASP 86 Cb -0.14 0.50 0.00 0.00 -1.09 0.00 0.00 42.92 42.20 1v5r s ASP 86 CO -0.06 -0.17 0.00 0.61 0.70 0.00 0.00 175.17 176.26 1v5r n GLY 87 N 1.55 1.79 3.69 2.12 0.00 -1.26 -5.14 105.19 107.93 1v5r n GLY 87 Ca -0.10 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 1v5r n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v5r s LYS 88 N -2.00 4.14 0.09 1.61 -2.85 -1.26 -5.04 119.74 114.43 1v5r s LYS 88 Ca 0.00 -0.15 -0.34 0.00 -1.00 0.00 0.00 55.97 54.48 1v5r s LYS 88 Cb 0.00 -3.50 -0.13 0.00 -2.06 0.00 0.00 37.83 32.14 1v5r s LYS 88 CO 0.00 0.12 1.67 0.25 0.10 0.00 0.00 175.35 177.49 1v5r n THR 89 N 4.04 0.18 -3.65 3.79 -2.24 -1.26 -4.97 114.28 110.16 1v5r n THR 89 Ca -0.14 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1v5r n THR 89 Cb 0.52 -1.65 -0.07 0.00 -2.10 0.00 0.00 70.33 67.03 1v5r n THR 89 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1v5r s SER 90 N 1.85 -0.36 1.04 3.42 0.01 -1.26 -5.17 113.70 113.23 1v5r s SER 90 Ca 0.83 0.23 -0.13 0.00 1.31 0.00 0.00 55.95 58.19 1v5r s SER 90 Cb -0.68 0.42 0.21 0.00 0.21 0.00 0.00 66.02 66.18 1v5r s SER 90 CO 0.42 -0.58 1.10 -2.16 0.41 0.00 0.00 173.24 172.42 1v5r s PRO 91 N -1.73 0.08 -0.04 12.44 0.04 -1.26 -5.09 135.00 139.44 1v5r s PRO 91 Ca -0.10 0.40 -0.14 0.00 0.04 0.00 0.00 61.00 61.21 1v5r s PRO 91 Cb -0.02 -1.71 0.02 0.00 0.04 0.00 0.00 34.50 32.84 1v5r s PRO 91 CO 0.03 -2.94 0.30 0.45 0.04 0.00 0.00 177.00 174.88 1v5r s SER 92 N -3.51 -0.21 0.00 6.66 0.15 -1.26 -5.05 113.70 110.47 1v5r s SER 92 Ca 0.66 0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1v5r s SER 92 Cb -0.17 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1v5r s SER 92 CO 0.57 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.26 1v5r n GLY 93 N 1.65 -1.87 3.77 9.45 0.00 -1.26 -5.16 105.19 111.77 1v5r n GLY 93 Ca -0.20 0.85 -0.36 0.00 0.00 0.00 0.00 46.02 46.31 1v5r n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v5r s PRO 94 N 0.00 3.56 -0.30 1.61 0.04 -1.26 -5.04 135.00 133.61 1v5r s PRO 94 Ca 0.00 1.69 -0.10 0.00 0.04 0.00 0.00 61.00 62.63 1v5r s PRO 94 Cb 0.00 -2.21 0.18 0.00 0.04 0.00 0.00 34.50 32.51 1v5r s PRO 94 CO 0.00 -0.69 0.91 -1.54 0.04 0.00 0.00 177.00 175.72 1v5r s SER 95 N -1.57 -0.74 0.17 6.66 1.04 -1.26 -5.18 113.70 112.83 1v5r s SER 95 Ca 0.68 0.50 -0.24 0.00 0.48 0.00 0.00 55.95 57.37 1v5r s SER 95 Cb -0.26 1.63 0.06 0.00 0.10 0.00 0.00 66.02 67.56 1v5r s SER 95 CO 0.31 -0.14 0.96 -0.55 0.98 0.00 0.00 173.24 174.80 1v5r s SER 96 N 2.89 -0.14 0.00 7.02 0.15 -1.26 -5.33 113.70 117.04 1v5r s SER 96 Ca 0.05 -0.48 0.05 0.00 0.70 0.00 0.00 55.95 56.27 1v5r s SER 96 Cb -0.11 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.75 1v5r s SER 96 CO -0.14 -0.96 0.66 0.61 1.20 0.00 0.00 173.24 174.61