#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 5.09 0.27 1.61 0.01 -1.26 -5.11 113.70 114.32 1v5r s SER 2 Ca 0.00 0.04 -0.06 0.00 1.31 0.00 0.00 55.95 57.24 1v5r s SER 2 Cb 0.00 -1.58 -0.01 0.00 0.21 0.00 0.00 66.02 64.63 1v5r s SER 2 CO 0.00 0.29 0.40 -0.44 0.41 0.00 0.00 173.24 173.90 1v5r s SER 3 N -0.38 0.32 0.00 2.44 0.01 -1.26 -5.13 113.70 109.70 1v5r s SER 3 Ca 0.07 -1.23 0.00 0.00 1.31 0.00 0.00 55.95 56.10 1v5r s SER 3 Cb -0.12 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.67 1v5r s SER 3 CO 0.02 -1.13 0.00 0.61 0.41 0.00 0.00 173.24 173.16 1v5r n GLY 4 N -0.42 -1.36 2.43 3.44 0.00 -1.26 -4.82 105.19 103.19 1v5r n GLY 4 Ca 0.00 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 1v5r n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v5r n SER 5 N -0.53 7.58 -4.67 1.61 3.41 -1.26 -4.99 113.62 114.77 1v5r n SER 5 Ca 0.00 -3.74 -0.44 0.00 -0.26 0.00 0.00 58.87 54.43 1v5r n SER 5 Cb 0.00 -1.01 -0.03 0.00 -0.26 0.00 0.00 64.21 62.91 1v5r n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1v5r n SER 6 N -0.72 3.98 0.11 4.04 7.64 -1.26 -4.88 113.62 122.53 1v5r n SER 6 Ca 0.59 0.92 -0.17 0.00 1.01 0.00 0.00 58.87 61.21 1v5r n SER 6 Cb 0.56 -1.49 -0.14 0.00 -1.01 0.00 0.00 64.21 62.13 1v5r n SER 6 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1v5r h GLY 7 N 10.28 0.35 -3.02 0.23 0.00 -2.04 -3.48 103.07 105.39 1v5r h GLY 7 Ca -0.50 -0.90 -0.13 0.00 0.00 0.00 0.00 47.33 45.80 1v5r h GLY 7 CO 0.94 0.79 -0.26 0.70 0.00 0.00 0.00 176.54 178.71 1v5r n ASN 8 N -3.55 -2.87 0.06 0.19 3.02 -1.26 -4.97 115.26 105.87 1v5r n ASN 8 Ca -0.11 -0.21 -0.20 0.00 -0.03 0.00 0.00 54.58 54.03 1v5r n ASN 8 Cb 1.04 -2.17 -0.15 0.00 -0.61 0.00 0.00 39.78 37.90 1v5r n ASN 8 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1v5r h LEU 9 N -0.85 0.49 -0.02 3.41 3.38 -1.99 -3.33 115.31 116.40 1v5r h LEU 9 Ca -0.21 -0.77 -0.00 0.00 0.09 0.00 0.00 57.88 56.99 1v5r h LEU 9 Cb 1.13 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1v5r h LEU 9 CO 0.19 1.65 0.00 0.25 0.09 0.00 0.00 178.44 180.63 1v5r h LEU 10 N 0.09 0.02 -0.49 1.67 5.85 -1.95 -2.07 115.31 118.43 1v5r h LEU 10 Ca -0.32 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 58.28 1v5r h LEU 10 Cb 2.06 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.99 1v5r h LEU 10 CO 0.16 0.23 -0.37 -2.24 -0.34 0.00 0.00 178.44 175.88 1v5r h ASP 11 N -0.18 -1.25 -0.55 1.25 3.04 -1.92 0.26 116.42 117.06 1v5r h ASP 11 Ca 0.01 0.22 0.02 0.00 -3.24 0.00 0.00 57.03 54.04 1v5r h ASP 11 Cb 0.21 0.58 -0.04 0.00 -1.04 0.00 0.00 39.33 39.05 1v5r h ASP 11 CO -0.00 -0.33 0.34 -0.78 -2.04 0.00 0.00 179.24 176.43 1v5r h ASP 12 N -0.23 0.55 -0.44 4.15 3.58 -1.66 -0.29 116.42 122.08 1v5r h ASP 12 Ca 0.19 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.68 1v5r h ASP 12 Cb 0.56 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 1v5r h ASP 12 CO -0.62 0.39 0.21 0.00 -2.88 0.00 0.00 179.24 176.34 1v5r h ALA 13 N 1.24 0.55 -0.42 -0.78 0.00 -0.33 0.25 119.26 119.77 1v5r h ALA 13 Ca 0.22 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1v5r h ALA 13 Cb 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1v5r h ALA 13 CO -0.09 -0.15 0.08 0.28 0.00 0.00 0.00 179.25 179.37 1v5r h VAL 14 N 0.42 1.24 -0.28 0.00 2.07 -0.17 -1.52 116.25 118.02 1v5r h VAL 14 Ca 0.19 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1v5r h VAL 14 Cb 0.12 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1v5r h VAL 14 CO -0.15 0.29 0.18 0.50 0.02 0.00 0.00 177.57 178.42 1v5r h LYS 15 N 0.54 0.36 0.55 1.57 3.64 -0.67 -0.98 116.57 121.58 1v5r h LYS 15 Ca 0.13 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1v5r h LYS 15 Cb 0.35 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1v5r h LYS 15 CO 0.01 0.24 -0.26 0.00 -2.27 0.00 0.00 179.45 177.16 1v5r h ARG 16 N 0.37 -0.71 -0.77 1.90 3.08 -0.87 -1.37 114.38 116.02 1v5r h ARG 16 Ca 0.10 0.05 0.16 0.00 0.07 0.00 0.00 59.98 60.36 1v5r h ARG 16 Cb -0.04 0.16 -0.14 0.00 0.08 0.00 0.00 29.97 30.02 1v5r h ARG 16 CO -0.02 -0.47 -0.16 0.82 -1.07 0.00 0.00 179.97 179.06 1v5r h ILE 17 N -0.78 0.25 -0.47 2.04 2.04 -1.30 0.70 117.51 119.98 1v5r h ILE 17 Ca -0.07 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.81 1v5r h ILE 17 Cb 0.56 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1v5r h ILE 17 CO 0.12 0.00 0.32 0.77 0.00 0.00 0.00 178.15 179.36 1v5r h SER 18 N 0.01 0.47 -0.84 1.72 4.64 -1.14 -1.31 113.55 117.11 1v5r h SER 18 Ca 0.38 -0.01 -0.47 0.00 -0.47 0.00 0.00 61.79 61.22 1v5r h SER 18 Cb 0.59 -0.11 -0.26 0.00 -0.31 0.00 0.00 62.40 62.30 1v5r h SER 18 CO -0.77 0.33 0.46 -0.62 -0.87 0.00 0.00 176.83 175.36 1v5r n GLU 19 N -4.47 2.27 -3.15 4.77 1.02 0.22 -4.51 120.64 116.79 1v5r n GLU 19 Ca 0.05 -3.14 0.05 0.00 -0.02 0.00 0.00 57.16 54.10 1v5r n GLU 19 Cb 0.13 -2.11 -0.01 0.00 -0.02 0.00 0.00 31.44 29.42 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 -1.77 -0.41 0.41 1.62 2.15 0.19 -3.85 116.67 115.01 1v5r s ASP 20 Ca 0.55 0.15 -0.25 0.00 0.43 0.00 0.00 52.55 53.43 1v5r s ASP 20 Cb 0.47 1.30 -0.08 0.00 -0.30 0.00 0.00 42.92 44.30 1v5r s ASP 20 CO 0.06 -0.08 1.19 -2.16 -0.17 0.00 0.00 175.17 174.01 1v5r s PRO 21 N 2.96 4.01 0.06 4.34 0.04 -1.26 -4.45 135.00 140.70 1v5r s PRO 21 Ca 0.12 1.87 -0.31 0.00 0.04 0.00 0.00 61.00 62.72 1v5r s PRO 21 Cb -0.06 -2.65 -0.07 0.00 0.04 0.00 0.00 34.50 31.76 1v5r s PRO 21 CO -0.16 -0.37 1.40 -1.25 0.04 0.00 0.00 177.00 176.66 1v5r s PRO 22 N -2.34 4.30 0.08 0.56 0.04 -1.25 -4.91 135.00 131.48 1v5r s PRO 22 Ca 0.58 2.03 -0.35 0.00 0.04 0.00 0.00 61.00 63.30 1v5r s PRO 22 Cb -0.31 -3.41 -0.14 0.00 0.04 0.00 0.00 34.50 30.67 1v5r s PRO 22 CO 0.39 -0.50 1.60 0.00 0.04 0.00 0.00 177.00 178.52 1v5r h LYS 24 N 6.32 0.55 -6.26 0.00 1.79 -1.94 -3.47 116.57 113.56 1v5r h LYS 24 Ca -0.46 -0.80 -0.58 0.00 -2.18 0.00 0.00 60.65 56.63 1v5r h LYS 24 Cb 1.28 0.28 0.19 0.00 -1.58 0.00 0.00 32.23 32.39 1v5r h LYS 24 CO 0.88 1.37 -0.93 0.00 -1.08 0.00 0.00 179.45 179.68 1v5r n PRO 26 N 0.78 0.42 -3.63 0.00 -0.04 -1.26 -4.23 135.00 127.04 1v5r n PRO 26 Ca 0.08 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.28 1v5r n PRO 26 Cb 0.49 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 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 -2.14 0.62 1.06 0.52 2.01 -1.26 -5.13 115.64 111.33 1v5r s THR 27 Ca 0.21 -1.56 -0.15 0.00 0.31 0.00 0.00 61.69 60.50 1v5r s THR 27 Cb 0.11 -1.47 0.12 0.00 0.01 0.00 0.00 72.50 71.27 1v5r s THR 27 CO 0.19 -0.80 0.40 1.17 -0.69 0.00 0.00 174.62 174.90 1v5r n LYS 28 N 4.50 -1.27 -1.30 4.92 4.81 -1.26 -4.97 118.16 123.59 1v5r n LYS 28 Ca 0.02 -0.34 -0.29 0.00 -0.87 0.00 0.00 58.31 56.83 1v5r n LYS 28 Cb 0.39 -1.89 0.15 0.00 0.02 0.00 0.00 35.03 33.70 1v5r n LYS 28 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1v5r s PHE 29 N -2.35 2.32 -0.39 5.64 5.36 -1.26 -5.01 117.98 122.29 1v5r s PHE 29 Ca 0.59 1.03 -0.14 0.00 -0.96 0.00 0.00 56.93 57.46 1v5r s PHE 29 Cb -0.18 -3.25 0.01 0.00 -0.34 0.00 0.00 43.02 39.26 1v5r s PHE 29 CO 0.66 -2.54 0.28 0.00 -1.46 0.00 0.00 175.22 172.15 1v5r s VAL 31 N 1.67 0.26 0.03 0.00 1.01 -1.19 -1.08 120.40 121.10 1v5r s VAL 31 Ca 0.05 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.69 1v5r s VAL 31 Cb -0.19 -0.84 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1v5r s VAL 31 CO 0.10 -0.25 -0.19 -0.70 0.00 0.00 0.00 175.10 174.05 1v5r s GLU 32 N 1.98 1.36 -0.27 2.72 2.56 -1.17 -4.90 118.70 120.97 1v5r s GLU 32 Ca 0.01 -0.85 -0.19 0.00 0.00 0.00 0.00 54.97 53.93 1v5r s GLU 32 Cb -0.17 -1.42 -0.02 0.00 2.00 0.00 0.00 34.13 34.52 1v5r s GLU 32 CO -0.09 0.37 0.57 0.50 -0.56 0.00 0.00 175.26 176.05 1v5r s ARG 33 N -1.00 4.04 -0.21 4.30 3.00 -1.26 -0.31 118.95 127.51 1v5r s ARG 33 Ca 0.07 0.38 -0.11 0.00 -1.00 0.00 0.00 55.73 55.06 1v5r s ARG 33 Cb -0.08 -3.67 -0.09 0.00 0.00 0.00 0.00 34.95 31.11 1v5r s ARG 33 CO 0.01 -0.42 -0.28 1.28 0.00 0.00 0.00 175.30 175.89 1v5r n LEU 34 N 5.66 1.54 -4.15 -0.88 4.77 -0.32 -4.99 117.00 118.62 1v5r n LEU 34 Ca -0.02 0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 56.10 1v5r n LEU 34 Cb 0.49 -0.64 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 1v5r n LEU 34 CO 0.42 0.41 -0.09 -0.55 -1.33 0.00 0.00 177.39 176.25 1v5r s SER 35 N -6.91 0.35 0.26 -1.43 0.15 -0.82 -4.95 113.70 100.35 1v5r s SER 35 Ca -0.30 -1.34 -0.09 0.00 0.70 0.00 0.00 55.95 54.92 1v5r s SER 35 Cb 0.11 0.48 0.41 0.00 -1.71 0.00 0.00 66.02 65.30 1v5r s SER 35 CO 0.38 -0.98 1.47 1.67 1.20 0.00 0.00 173.24 176.98 1v5r n GLN 36 N -0.37 -0.10 -2.08 5.44 7.27 -1.26 -0.98 117.38 125.30 1v5r n GLN 36 Ca 0.02 1.47 -0.23 0.00 0.07 0.00 0.00 57.00 58.33 1v5r n GLN 36 Cb 0.64 -2.20 0.02 0.00 2.41 0.00 0.00 30.24 31.12 1v5r n GLN 36 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1v5r n GLY 37 N -1.57 6.13 2.81 1.69 0.00 -1.26 -4.93 105.19 108.06 1v5r n GLY 37 Ca 0.14 -2.58 -0.14 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 -3.61 0.02 0.10 1.61 3.52 -0.15 -1.44 118.95 118.99 1v5r s ARG 38 Ca 0.50 0.11 -0.13 0.00 -0.13 0.00 0.00 55.73 56.08 1v5r s ARG 38 Cb 0.40 -0.20 0.02 0.00 -1.56 0.00 0.00 34.95 33.61 1v5r s ARG 38 CO 0.03 -0.11 0.30 0.71 -0.81 0.00 0.00 175.30 175.42 1v5r s TYR 39 N 0.71 -0.04 -0.69 5.12 1.51 -1.13 -1.18 117.35 121.66 1v5r s TYR 39 Ca -0.06 -0.29 -0.18 0.00 -1.01 0.00 0.00 57.07 55.53 1v5r s TYR 39 Cb -0.09 0.10 0.13 0.00 -0.11 0.00 0.00 41.96 41.99 1v5r s TYR 39 CO -0.02 -0.60 0.77 0.50 -1.11 0.00 0.00 175.55 175.09 1v5r s ARG 40 N -3.60 3.24 -0.42 -0.62 3.52 0.58 -3.02 118.95 118.63 1v5r s ARG 40 Ca 0.02 -1.67 -0.20 0.00 -0.13 0.00 0.00 55.73 53.76 1v5r s ARG 40 Cb 0.03 -4.41 0.02 0.00 -1.56 0.00 0.00 34.95 29.03 1v5r s ARG 40 CO -0.10 -1.51 0.60 0.08 -0.81 0.00 0.00 175.30 173.56 1v5r s VAL 41 N 2.06 4.88 0.00 7.11 1.01 -0.82 -3.03 120.40 131.62 1v5r s VAL 41 Ca 0.15 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.22 1v5r s VAL 41 Cb -0.19 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.04 1v5r s VAL 41 CO 0.00 -0.53 0.00 0.61 0.00 0.00 0.00 175.10 175.18 1v5r n GLY 42 N 5.01 1.60 0.54 4.51 0.00 -0.24 -2.20 105.19 114.41 1v5r n GLY 42 Ca -0.03 0.13 0.07 0.00 0.00 0.00 0.00 46.02 46.18 1v5r n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1v5r n GLU 43 N 0.97 1.18 -3.90 1.61 1.02 -1.26 -4.67 120.64 115.59 1v5r n GLU 43 Ca 0.00 -2.76 -0.09 0.00 -0.02 0.00 0.00 57.16 54.29 1v5r n GLU 43 Cb 0.00 -1.30 -0.09 0.00 -0.02 0.00 0.00 31.44 30.03 1v5r n GLU 43 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1v5r s LYS 44 N -2.49 0.65 -0.27 3.49 1.02 -0.94 -5.14 119.74 116.06 1v5r s LYS 44 Ca 0.33 -0.77 -0.10 0.00 0.02 0.00 0.00 55.97 55.45 1v5r s LYS 44 Cb 0.32 0.26 -0.04 0.00 -0.52 0.00 0.00 37.83 37.84 1v5r s LYS 44 CO -0.05 -0.17 0.16 0.42 -0.92 0.00 0.00 175.35 174.79 1v5r s ILE 45 N -2.81 5.07 0.17 2.17 -1.09 -1.26 -1.94 121.20 121.50 1v5r s ILE 45 Ca -0.03 0.09 0.08 0.00 -2.23 0.00 0.00 60.65 58.56 1v5r s ILE 45 Cb 0.00 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.44 1v5r s ILE 45 CO -0.05 0.28 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.00 1v5r s LEU 46 N 1.67 2.45 -0.60 2.97 1.43 -1.17 -5.01 118.68 120.43 1v5r s LEU 46 Ca 0.07 -0.88 -0.19 0.00 -1.03 0.00 0.00 54.13 52.10 1v5r s LEU 46 Cb -0.16 -0.79 0.10 0.00 0.03 0.00 0.00 46.19 45.37 1v5r s LEU 46 CO 0.09 -0.06 0.73 -0.36 0.23 0.00 0.00 176.35 176.98 1v5r s PHE 47 N -2.17 2.96 -0.31 0.29 0.08 -1.26 -2.84 117.98 114.73 1v5r s PHE 47 Ca 0.16 -0.89 -0.18 0.00 0.12 0.00 0.00 56.93 56.15 1v5r s PHE 47 Cb -0.05 -4.03 -0.02 0.00 -0.57 0.00 0.00 43.02 38.35 1v5r s PHE 47 CO 0.06 -1.33 0.51 0.42 -0.10 0.00 0.00 175.22 174.78 1v5r s ILE 48 N 2.86 5.04 0.41 0.64 1.01 -0.52 -1.54 121.20 129.11 1v5r s ILE 48 Ca 0.13 0.60 0.07 0.00 0.00 0.00 0.00 60.65 61.46 1v5r s ILE 48 Cb -0.23 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 1v5r s ILE 48 CO 0.07 -0.06 0.18 0.00 0.00 0.00 0.00 174.94 175.12 1v5r s ARG 49 N 2.35 2.23 -0.16 2.79 1.70 -0.47 -4.08 118.95 123.32 1v5r s ARG 49 Ca 0.20 -1.83 0.00 0.00 -0.47 0.00 0.00 55.73 53.63 1v5r s ARG 49 Cb -0.15 -1.99 0.03 0.00 -0.57 0.00 0.00 34.95 32.27 1v5r s ARG 49 CO 0.11 -0.11 -0.09 1.41 -1.08 0.00 0.00 175.30 175.55 1v5r s MET 50 N -3.90 1.82 -0.57 3.89 1.75 -1.26 -1.60 119.30 119.43 1v5r s MET 50 Ca 0.41 -0.54 -0.27 0.00 -1.25 0.00 0.00 55.69 54.04 1v5r s MET 50 Cb 0.04 -2.02 0.00 0.00 2.84 0.00 0.00 34.83 35.68 1v5r s MET 50 CO 0.23 -0.34 1.56 -0.51 -0.65 0.00 0.00 175.02 175.30 1v5r s LEU 51 N 1.56 3.36 -1.47 4.11 1.43 0.50 -3.40 118.68 124.77 1v5r s LEU 51 Ca 0.02 0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 53.41 1v5r s LEU 51 Cb -0.14 -2.92 0.02 0.00 0.03 0.00 0.00 46.19 43.18 1v5r s LEU 51 CO -0.09 -1.89 0.47 1.41 0.23 0.00 0.00 176.35 176.48 1v5r n HIS 52 N 10.46 -1.79 -4.08 0.29 8.25 -1.26 -1.50 115.22 125.59 1v5r n HIS 52 Ca 0.15 0.42 -0.34 0.00 -0.26 0.00 0.00 57.72 57.69 1v5r n HIS 52 Cb 0.50 -3.92 -0.01 0.00 1.12 0.00 0.00 29.99 27.67 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 -2.36 -3.85 0.00 0.41 3.02 -1.22 -4.76 115.26 106.50 1v5r n ASN 53 Ca -0.11 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.55 1v5r n ASN 53 Cb 0.61 -3.12 0.00 0.00 -0.61 0.00 0.00 39.78 36.65 1v5r n ASN 53 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1v5r n LYS 54 N -4.43 0.36 -5.27 3.52 4.81 -0.57 -5.02 118.16 111.56 1v5r n LYS 54 Ca 0.07 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.19 1v5r n LYS 54 Cb 0.50 -0.71 -0.16 0.00 0.02 0.00 0.00 35.03 34.68 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 -1.43 2.42 -0.46 5.64 3.76 -1.10 -4.96 115.29 119.16 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 -1.57 0.09 0.00 1.11 0.00 0.00 32.58 32.21 1v5r s HIS 55 CO 0.00 -0.16 0.34 0.08 -0.85 0.00 0.00 174.74 174.15 1v5r s VAL 56 N -0.30 4.55 0.35 -0.90 1.01 -1.26 -0.37 120.40 123.48 1v5r s VAL 56 Ca 0.00 -1.43 0.08 0.00 0.00 0.00 0.00 61.98 60.63 1v5r s VAL 56 Cb -0.13 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1v5r s VAL 56 CO 0.02 -0.63 0.18 -0.04 0.00 0.00 0.00 175.10 174.64 1v5r s MET 57 N 1.48 2.41 0.28 2.72 -1.94 -0.63 -1.35 119.30 122.27 1v5r s MET 57 Ca 0.04 -1.55 0.06 0.00 -1.71 0.00 0.00 55.69 52.53 1v5r s MET 57 Cb -0.25 -2.21 -0.06 0.00 2.01 0.00 0.00 34.83 34.33 1v5r s MET 57 CO 0.02 0.06 -0.04 0.14 -0.01 0.00 0.00 175.02 175.20 1v5r s VAL 58 N -2.43 1.52 -0.38 -6.03 -7.23 -0.58 -1.37 120.40 103.90 1v5r s VAL 58 Ca 0.39 -2.10 -0.14 0.00 -1.81 0.00 0.00 61.98 58.33 1v5r s VAL 58 Cb -0.02 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.44 1v5r s VAL 58 CO 0.23 -0.27 0.27 -0.60 -0.31 0.00 0.00 175.10 174.43 1v5r s ARG 59 N -3.76 3.13 -0.06 4.82 6.06 -0.59 -3.32 118.95 125.23 1v5r s ARG 59 Ca 0.30 -0.90 -0.03 0.00 -2.50 0.00 0.00 55.73 52.61 1v5r s ARG 59 Cb 0.05 -3.89 0.04 0.00 0.06 0.00 0.00 34.95 31.20 1v5r s ARG 59 CO 0.12 -0.64 0.12 0.14 -2.50 0.00 0.00 175.30 172.54 1v5r s VAL 60 N 1.68 -0.15 -0.26 7.11 -7.23 -0.27 -4.42 120.40 116.85 1v5r s VAL 60 Ca 0.05 0.31 -0.24 0.00 -1.81 0.00 0.00 61.98 60.29 1v5r s VAL 60 Cb -0.18 -0.23 0.04 0.00 0.56 0.00 0.00 36.38 36.56 1v5r s VAL 60 CO 0.10 0.13 0.39 0.61 -0.31 0.00 0.00 175.10 176.02 1v5r n GLY 61 N 4.89 0.12 3.69 2.32 0.00 -1.26 0.11 105.19 115.06 1v5r n GLY 61 Ca -0.13 0.69 -0.24 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.01 -0.14 3.36 -0.02 0.00 -1.26 -4.86 105.19 102.26 1v5r n GLY 62 Ca -0.05 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.51 -0.39 -0.14 -0.02 0.00 0.12 -5.15 107.32 98.22 1v5r s GLY 63 Ca 0.18 0.35 0.01 0.00 0.00 0.00 0.00 44.72 45.26 1v5r s GLY 63 CO 0.69 0.07 -0.17 -0.98 0.00 0.00 0.00 173.10 172.71 1v5r s TRP 64 N -3.03 2.27 0.38 1.90 0.52 -1.26 -1.12 118.94 118.60 1v5r s TRP 64 Ca -0.02 -1.20 0.05 0.00 0.02 0.00 0.00 56.10 54.96 1v5r s TRP 64 Cb 0.00 -1.62 -0.07 0.00 -1.15 0.00 0.00 33.47 30.63 1v5r s TRP 64 CO -0.06 -0.61 0.03 -1.83 0.02 0.00 0.00 176.95 174.50 1v5r s GLU 65 N 1.17 1.84 -0.32 4.98 -1.05 -1.21 -4.89 118.70 119.21 1v5r s GLU 65 Ca -0.01 -2.04 -0.29 0.00 -0.15 0.00 0.00 54.97 52.48 1v5r s GLU 65 Cb -0.14 -1.30 0.00 0.00 -0.44 0.00 0.00 34.13 32.25 1v5r s GLU 65 CO -0.06 -0.13 1.34 0.95 0.95 0.00 0.00 175.26 178.32 1v5r s THR 66 N -2.97 4.06 0.24 1.83 -4.23 -1.26 -1.53 115.64 111.78 1v5r s THR 66 Ca 0.35 1.17 -0.03 0.00 -1.18 0.00 0.00 61.69 61.99 1v5r s THR 66 Cb 0.09 -4.15 0.36 0.00 1.34 0.00 0.00 72.50 70.15 1v5r s THR 66 CO 0.16 -0.53 1.27 0.33 -0.54 0.00 0.00 174.62 175.31 1v5r n PHE 67 N 7.94 0.38 -0.35 3.99 7.35 -0.46 0.24 117.46 136.55 1v5r n PHE 67 Ca 0.15 0.99 0.02 0.00 -0.76 0.00 0.00 57.45 57.85 1v5r n PHE 67 Cb 0.47 -1.02 0.16 0.00 0.35 0.00 0.00 39.48 39.44 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 1.62 1.32 -0.59 3.13 0.00 -1.90 -1.78 119.26 121.05 1v5r h ALA 68 Ca 0.43 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.36 1v5r h ALA 68 Cb 0.75 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.21 1v5r h ALA 68 CO -0.81 0.40 0.34 0.78 0.00 0.00 0.00 179.25 179.96 1v5r h GLY 69 N 1.12 0.85 1.30 0.00 0.00 0.27 -0.21 103.07 106.40 1v5r h GLY 69 Ca 0.41 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.38 1v5r h GLY 69 CO -0.17 0.18 -0.19 -1.82 0.00 0.00 0.00 176.54 174.54 1v5r h TYR 70 N 0.65 0.91 0.32 5.60 5.03 -1.03 -2.66 116.97 125.80 1v5r h TYR 70 Ca 0.25 -0.20 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 1v5r h TYR 70 Cb 0.09 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.15 1v5r h TYR 70 CO -0.07 0.93 -0.16 1.25 -1.32 0.00 0.00 178.16 178.80 1v5r h LEU 71 N 0.71 -0.37 -1.04 2.82 5.85 -0.81 -2.40 115.31 120.07 1v5r h LEU 71 Ca 0.10 -0.11 0.16 0.00 0.84 0.00 0.00 57.88 58.87 1v5r h LEU 71 Cb 0.71 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.74 1v5r h LEU 71 CO 0.05 -0.10 0.62 0.17 -0.34 0.00 0.00 178.44 178.85 1v5r h LEU 72 N -0.64 0.82 0.65 2.25 8.10 -1.06 0.22 115.31 125.66 1v5r h LEU 72 Ca -0.04 0.07 -0.03 0.00 0.11 0.00 0.00 57.88 57.99 1v5r h LEU 72 Cb 0.46 -0.08 0.01 0.00 -0.44 0.00 0.00 40.66 40.60 1v5r h LEU 72 CO 0.07 0.36 -0.31 0.11 -4.11 0.00 0.00 178.44 174.56 1v5r h LYS 73 N 0.84 -0.84 -0.63 0.17 1.57 -1.32 -3.15 116.57 113.21 1v5r h LYS 73 Ca 0.54 0.06 0.08 0.00 -1.87 0.00 0.00 60.65 59.45 1v5r h LYS 73 Cb 0.74 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 33.18 1v5r h LYS 73 CO -0.32 -0.56 0.30 1.25 -0.57 0.00 0.00 179.45 179.56 1v5r h HIS 74 N -0.88 0.54 -2.91 -1.35 2.76 -1.09 -3.39 115.15 108.83 1v5r h HIS 74 Ca -0.09 0.03 -0.57 0.00 -2.20 0.00 0.00 60.37 57.54 1v5r h HIS 74 Cb 0.66 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.44 1v5r h HIS 74 CO 0.08 0.21 0.95 0.34 -1.30 0.00 0.00 177.93 178.21 1v5r s ASP 75 N -5.49 6.84 -0.02 3.26 -1.08 0.75 -4.93 116.67 116.00 1v5r s ASP 75 Ca -0.13 1.67 -0.25 0.00 -0.52 0.00 0.00 52.55 53.31 1v5r s ASP 75 Cb 0.16 -2.54 -0.20 0.00 -1.46 0.00 0.00 42.92 38.89 1v5r s ASP 75 CO 0.75 -0.86 1.23 1.55 0.52 0.00 0.00 175.17 178.36 1v5r h PRO 76 N 8.67 -0.06 -0.95 4.34 0.13 -1.78 -3.02 132.00 139.34 1v5r h PRO 76 Ca -0.28 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.98 1v5r h PRO 76 Cb 1.11 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.18 1v5r h PRO 76 CO 0.98 0.41 0.60 0.00 -0.23 0.00 0.00 178.00 179.76 1v5r h ARG 78 N 0.86 0.23 -1.37 0.00 3.08 -1.82 -2.50 114.38 112.86 1v5r h ARG 78 Ca 0.47 -0.02 0.48 0.00 0.07 0.00 0.00 59.98 60.97 1v5r h ARG 78 Cb 0.58 -0.05 -0.14 0.00 0.08 0.00 0.00 29.97 30.44 1v5r h ARG 78 CO -0.23 0.19 0.88 -1.33 -1.07 0.00 0.00 179.97 178.41 1v5r n MET 79 N -4.94 -0.04 -0.33 0.04 2.81 -0.66 -0.08 117.12 113.92 1v5r n MET 79 Ca -0.04 1.25 0.17 0.00 -1.81 0.00 0.00 57.70 57.27 1v5r n MET 79 Cb 0.05 -2.46 0.33 0.00 -0.71 0.00 0.00 33.22 30.43 1v5r n MET 79 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1v5r n LEU 80 N -4.71 -0.05 -4.25 4.03 4.77 -0.94 -4.47 117.00 111.39 1v5r n LEU 80 Ca 0.40 1.66 -0.28 0.00 -0.03 0.00 0.00 56.01 57.76 1v5r n LEU 80 Cb 1.56 -0.63 0.24 0.00 -2.33 0.00 0.00 43.42 42.26 1v5r n LEU 80 CO 0.18 -1.70 0.15 0.00 -1.33 0.00 0.00 177.39 174.69 1v5r n GLN 81 N -5.42 -3.19 -2.43 3.23 10.64 0.88 -4.89 117.38 116.20 1v5r n GLN 81 Ca 0.25 -0.93 -0.42 0.00 -1.83 0.00 0.00 57.00 54.06 1v5r n GLN 81 Cb 0.83 -1.85 -0.03 0.00 -0.86 0.00 0.00 30.24 28.34 1v5r n GLN 81 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1v5r s ILE 82 N -2.20 4.20 -0.02 -0.39 1.01 -1.26 -5.01 121.20 117.53 1v5r s ILE 82 Ca 0.59 1.52 -0.14 0.00 0.00 0.00 0.00 60.65 62.62 1v5r s ILE 82 Cb -0.14 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.37 1v5r s ILE 82 CO 0.56 -0.03 0.30 -0.94 0.00 0.00 0.00 174.94 174.83 1v5r s SER 83 N 1.62 -0.19 0.48 3.58 1.04 -1.26 -5.13 113.70 113.84 1v5r s SER 83 Ca 0.57 0.12 0.01 0.00 0.48 0.00 0.00 55.95 57.12 1v5r s SER 83 Cb -0.25 0.33 0.01 0.00 0.10 0.00 0.00 66.02 66.21 1v5r s SER 83 CO 0.21 -0.42 0.69 -0.13 0.98 0.00 0.00 173.24 174.58 1v5r s ARG 84 N -1.21 2.91 -0.09 4.02 3.00 -1.26 -5.06 118.95 121.26 1v5r s ARG 84 Ca -0.13 -0.61 -0.30 0.00 0.00 0.00 0.00 55.73 54.70 1v5r s ARG 84 Cb -0.05 -2.55 -0.02 0.00 0.00 0.00 0.00 34.95 32.33 1v5r s ARG 84 CO 0.04 -0.39 1.02 0.54 0.00 0.00 0.00 175.30 176.50 1v5r s VAL 85 N -2.60 4.76 -0.09 3.52 0.11 -1.26 -4.97 120.40 119.87 1v5r s VAL 85 Ca 0.51 2.02 -0.03 0.00 -2.93 0.00 0.00 61.98 61.55 1v5r s VAL 85 Cb -0.10 -4.30 -0.02 0.00 -1.53 0.00 0.00 36.38 30.43 1v5r s VAL 85 CO 0.38 0.03 0.11 -2.24 -3.33 0.00 0.00 175.10 170.04 1v5r h ASP 86 N 7.07 -0.06 0.00 3.54 2.03 -2.06 -3.51 116.42 123.43 1v5r h ASP 86 Ca -0.33 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 55.95 1v5r h ASP 86 Cb 1.16 0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 1v5r h ASP 86 CO 0.84 0.44 0.00 0.61 -1.03 0.00 0.00 179.24 180.10 1v5r n GLY 87 N 1.58 -0.56 3.93 7.15 0.00 -1.26 -5.16 105.19 110.87 1v5r n GLY 87 Ca -0.01 -0.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.68 2.25 0.10 1.61 0.00 -1.26 -5.11 119.74 116.65 1v5r s LYS 88 Ca 0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 55.97 55.44 1v5r s LYS 88 Cb 0.00 -2.19 0.08 0.00 0.00 0.00 0.00 37.83 35.72 1v5r s LYS 88 CO 0.00 -1.19 0.83 -0.08 0.00 0.00 0.00 175.35 174.91 1v5r s THR 89 N -3.21 0.00 0.20 3.79 -1.32 -1.26 -5.15 115.64 108.69 1v5r s THR 89 Ca 0.60 -0.28 -0.30 0.00 -1.21 0.00 0.00 61.69 60.50 1v5r s THR 89 Cb -0.11 -1.37 -0.08 0.00 -1.51 0.00 0.00 72.50 69.44 1v5r s THR 89 CO 0.44 0.00 1.04 -0.55 -2.21 0.00 0.00 174.62 173.34 1v5r s SER 90 N -2.71 7.39 0.72 8.08 0.15 -1.26 -5.03 113.70 121.05 1v5r s SER 90 Ca 0.07 2.04 -0.13 0.00 0.70 0.00 0.00 55.95 58.63 1v5r s SER 90 Cb -0.02 -2.61 0.03 0.00 -1.71 0.00 0.00 66.02 61.72 1v5r s SER 90 CO -0.05 -0.09 1.10 -2.16 1.20 0.00 0.00 173.24 173.23 1v5r s PRO 91 N -0.69 2.51 0.25 5.44 0.04 -1.26 -5.07 135.00 136.22 1v5r s PRO 91 Ca 0.46 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.78 1v5r s PRO 91 Cb -0.28 -1.92 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 1v5r s PRO 91 CO 0.35 -1.46 0.31 0.43 0.04 0.00 0.00 177.00 176.67 1v5r n SER 92 N -3.00 -0.86 -3.56 6.66 7.64 -1.26 -5.12 113.62 114.12 1v5r n SER 92 Ca 0.10 -2.42 -0.27 0.00 1.01 0.00 0.00 58.87 57.29 1v5r n SER 92 Cb 0.52 1.67 -0.10 0.00 -1.01 0.00 0.00 64.21 65.29 1v5r n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v5r n GLY 93 N -0.43 2.89 3.59 0.23 0.00 -1.26 -5.12 105.19 105.10 1v5r n GLY 93 Ca 0.02 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.60 -1.18 0.74 1.61 0.04 -1.26 -5.00 135.00 129.35 1v5r s PRO 94 Ca 0.31 -0.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.15 1v5r s PRO 94 Cb 0.02 -1.60 0.05 0.00 0.04 0.00 0.00 34.50 33.01 1v5r s PRO 94 CO -0.18 -3.69 1.19 0.45 0.04 0.00 0.00 177.00 174.81 1v5r s SER 95 N -3.87 4.16 0.01 6.66 0.15 -1.26 -5.00 113.70 114.55 1v5r s SER 95 Ca 0.71 2.31 -0.05 0.00 0.70 0.00 0.00 55.95 59.62 1v5r s SER 95 Cb -0.10 -2.58 -0.02 0.00 -1.71 0.00 0.00 66.02 61.61 1v5r s SER 95 CO 0.56 -2.29 -0.09 -0.24 1.20 0.00 0.00 173.24 172.38 1v5r n SER 96 N -2.83 1.15 0.00 5.45 2.88 -1.26 -5.30 113.62 113.71 1v5r n SER 96 Ca 0.13 0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1v5r n SER 96 Cb 0.50 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1v5r n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42