#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 6.46 0.28 1.61 0.01 -1.26 -4.99 113.70 115.80 1v5r s SER 2 Ca 0.00 0.56 -0.01 0.00 1.31 0.00 0.00 55.95 57.81 1v5r s SER 2 Cb 0.00 -2.08 0.62 0.00 0.21 0.00 0.00 66.02 64.78 1v5r s SER 2 CO 0.00 -0.01 1.64 0.28 0.41 0.00 0.00 173.24 175.55 1v5r h SER 3 N 2.41 -0.14 -0.55 2.44 0.02 -2.10 -3.46 113.55 112.17 1v5r h SER 3 Ca -0.47 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1v5r h SER 3 Cb 1.18 0.31 0.00 0.00 0.14 0.00 0.00 62.40 64.02 1v5r h SER 3 CO 0.70 -0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 1v5r n GLY 4 N -1.40 0.31 3.29 -3.77 0.00 -1.26 -5.13 105.19 97.22 1v5r n GLY 4 Ca 0.19 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 1v5r n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v5r s SER 5 N -0.16 2.50 0.12 1.61 0.15 -1.26 -5.15 113.70 111.50 1v5r s SER 5 Ca 0.00 -0.72 -0.05 0.00 0.70 0.00 0.00 55.95 55.89 1v5r s SER 5 Cb 0.00 -0.13 -0.02 0.00 -1.71 0.00 0.00 66.02 64.15 1v5r s SER 5 CO 0.00 0.03 0.14 -0.55 1.20 0.00 0.00 173.24 174.06 1v5r s SER 6 N -2.04 0.22 0.00 5.45 0.15 -1.26 -4.96 113.70 111.26 1v5r s SER 6 Ca 0.08 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 55.77 1v5r s SER 6 Cb -0.09 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1v5r s SER 6 CO 0.04 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.34 1v5r n GLY 7 N -0.09 4.13 2.59 9.45 0.00 -1.26 -5.11 105.19 114.90 1v5r n GLY 7 Ca -0.09 -0.93 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.06 -0.04 1.61 3.02 -1.26 -4.90 115.26 112.62 1v5r n ASN 8 Ca 0.00 0.84 -0.22 0.00 -0.03 0.00 0.00 54.58 55.18 1v5r n ASN 8 Cb 0.00 -0.72 -0.13 0.00 -0.61 0.00 0.00 39.78 38.32 1v5r n ASN 8 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1v5r n LEU 9 N 1.55 2.47 -0.12 3.41 0.00 -1.26 -4.41 117.00 118.64 1v5r n LEU 9 Ca 0.13 0.22 -0.09 0.00 0.00 0.00 0.00 56.01 56.28 1v5r n LEU 9 Cb 0.20 -1.04 -0.06 0.00 0.00 0.00 0.00 43.42 42.51 1v5r n LEU 9 CO 0.43 0.72 0.50 0.25 0.00 0.00 0.00 177.39 179.28 1v5r h LEU 10 N -0.24 -1.25 -0.73 -1.96 5.85 -1.96 -0.37 115.31 114.66 1v5r h LEU 10 Ca -0.44 0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.55 1v5r h LEU 10 Cb 1.83 0.52 -0.11 0.00 0.37 0.00 0.00 40.66 43.27 1v5r h LEU 10 CO -0.03 -0.24 -0.31 -0.90 -0.34 0.00 0.00 178.44 176.62 1v5r n ASP 11 N -4.43 -0.52 -0.07 1.25 5.75 -1.26 0.12 116.55 117.38 1v5r n ASP 11 Ca -0.02 1.27 -0.09 0.00 -0.01 0.00 0.00 54.79 55.94 1v5r n ASP 11 Cb 0.21 -0.27 -0.02 0.00 -1.03 0.00 0.00 41.12 40.01 1v5r n ASP 11 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 1v5r h ASP 12 N 0.00 0.32 0.30 -1.12 1.82 -1.44 -0.68 116.42 115.61 1v5r h ASP 12 Ca 0.23 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.83 1v5r h ASP 12 Cb 0.41 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.34 1v5r h ASP 12 CO -0.72 0.25 -0.06 0.00 -1.61 0.00 0.00 179.24 177.10 1v5r h ALA 13 N 1.08 1.25 0.14 -0.78 0.00 0.26 -0.51 119.26 120.70 1v5r h ALA 13 Ca 0.10 -0.06 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 1v5r h ALA 13 Cb -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1v5r h ALA 13 CO -0.02 0.08 -1.38 0.28 0.00 0.00 0.00 179.25 178.21 1v5r h VAL 14 N 0.00 1.35 -0.03 0.00 2.07 0.14 -3.21 116.25 116.56 1v5r h VAL 14 Ca -0.00 -2.92 -0.26 0.00 0.82 0.00 0.00 66.70 64.34 1v5r h VAL 14 Cb 0.23 2.90 0.02 0.00 -1.52 0.00 0.00 31.29 32.92 1v5r h VAL 14 CO 0.01 0.86 -0.98 0.50 0.02 0.00 0.00 177.57 177.98 1v5r h LYS 15 N 0.08 0.72 -0.34 1.57 3.64 -0.58 -3.14 116.57 118.52 1v5r h LYS 15 Ca -0.19 -0.73 0.04 0.00 -1.27 0.00 0.00 60.65 58.51 1v5r h LYS 15 Cb 2.02 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 33.99 1v5r h LYS 15 CO 0.20 1.31 0.09 0.07 -2.27 0.00 0.00 179.45 178.85 1v5r h ARG 16 N 0.42 0.22 -0.97 1.90 0.11 -1.23 -0.01 114.38 114.81 1v5r h ARG 16 Ca -0.11 -0.01 0.04 0.00 0.10 0.00 0.00 59.98 60.00 1v5r h ARG 16 Cb 1.63 -0.05 -0.06 0.00 1.11 0.00 0.00 29.97 32.60 1v5r h ARG 16 CO 0.19 0.14 0.64 0.82 0.10 0.00 0.00 179.97 181.86 1v5r h ILE 17 N 0.22 1.15 0.00 0.08 2.04 -1.62 0.15 117.51 119.53 1v5r h ILE 17 Ca 0.16 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.58 1v5r h ILE 17 Cb 0.16 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.07 1v5r h ILE 17 CO -0.19 0.22 -0.12 0.77 0.00 0.00 0.00 178.15 178.84 1v5r h SER 18 N 1.21 0.00 -0.32 1.72 4.64 -1.31 -2.94 113.55 116.56 1v5r h SER 18 Ca 0.39 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.62 1v5r h SER 18 Cb 0.04 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.07 1v5r h SER 18 CO -0.13 0.12 -0.00 -0.62 -0.87 0.00 0.00 176.83 175.33 1v5r n GLU 19 N -3.22 2.44 -3.15 4.77 1.02 -0.09 -4.42 120.64 118.00 1v5r n GLU 19 Ca 0.01 -2.97 0.05 0.00 -0.02 0.00 0.00 57.16 54.23 1v5r n GLU 19 Cb 0.42 -1.84 -0.01 0.00 -0.02 0.00 0.00 31.44 29.99 1v5r n GLU 19 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1v5r s ASP 20 N -2.16 -0.45 0.42 1.62 1.01 0.37 -3.84 116.67 113.63 1v5r s ASP 20 Ca 0.43 0.17 -0.25 0.00 0.71 0.00 0.00 52.55 53.62 1v5r s ASP 20 Cb 0.37 1.33 -0.08 0.00 1.01 0.00 0.00 42.92 45.55 1v5r s ASP 20 CO 0.05 -0.08 1.18 -2.16 0.21 0.00 0.00 175.17 174.37 1v5r s PRO 21 N 2.95 3.96 0.09 8.23 0.04 -1.26 -4.42 135.00 144.60 1v5r s PRO 21 Ca 0.11 1.86 -0.31 0.00 0.04 0.00 0.00 61.00 62.70 1v5r s PRO 21 Cb -0.07 -2.61 -0.07 0.00 0.04 0.00 0.00 34.50 31.79 1v5r s PRO 21 CO -0.16 -0.40 1.38 -1.25 0.04 0.00 0.00 177.00 176.61 1v5r s PRO 22 N -2.40 4.32 -0.19 0.56 0.04 -1.25 -4.87 135.00 131.21 1v5r s PRO 22 Ca 0.59 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 63.34 1v5r s PRO 22 Cb -0.31 -3.32 -0.09 0.00 0.04 0.00 0.00 34.50 30.82 1v5r s PRO 22 CO 0.39 -0.45 2.09 0.00 0.04 0.00 0.00 177.00 179.06 1v5r h LYS 24 N 12.18 0.32 -4.71 0.00 1.79 -1.92 -3.46 116.57 120.76 1v5r h LYS 24 Ca -0.40 -0.20 -0.46 0.00 -2.18 0.00 0.00 60.65 57.41 1v5r h LYS 24 Cb 1.27 0.02 0.16 0.00 -1.58 0.00 0.00 32.23 32.10 1v5r h LYS 24 CO 0.97 0.79 -1.10 0.00 -1.08 0.00 0.00 179.45 179.03 1v5r n PRO 26 N 1.46 0.49 -3.69 0.00 -0.04 -1.26 -4.52 135.00 127.43 1v5r n PRO 26 Ca 0.03 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.30 1v5r n PRO 26 Cb 0.39 -1.31 -0.18 0.00 -0.04 0.00 0.00 33.50 32.37 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 -0.11 0.73 0.52 2.01 -1.26 -5.15 115.64 110.38 1v5r s THR 27 Ca 0.14 0.40 -0.11 0.00 0.31 0.00 0.00 61.69 62.43 1v5r s THR 27 Cb 0.07 -0.14 0.03 0.00 0.01 0.00 0.00 72.50 72.46 1v5r s THR 27 CO 0.11 0.17 1.08 -0.75 -0.69 0.00 0.00 174.62 174.53 1v5r s LYS 28 N 2.00 2.68 1.00 4.92 2.20 -1.26 -4.97 119.74 126.32 1v5r s LYS 28 Ca 0.03 0.75 -0.15 0.00 -0.36 0.00 0.00 55.97 56.23 1v5r s LYS 28 Cb -0.12 -1.98 0.20 0.00 -1.51 0.00 0.00 37.83 34.42 1v5r s LYS 28 CO -0.03 -1.23 1.19 0.12 -0.36 0.00 0.00 175.35 175.04 1v5r s PHE 29 N -3.14 1.68 -0.44 4.03 5.36 -1.26 -5.02 117.98 119.19 1v5r s PHE 29 Ca 0.59 0.58 -0.15 0.00 -0.96 0.00 0.00 56.93 56.99 1v5r s PHE 29 Cb -0.13 -3.64 0.05 0.00 -0.34 0.00 0.00 43.02 38.95 1v5r s PHE 29 CO 0.54 -2.85 0.35 0.00 -1.46 0.00 0.00 175.22 171.80 1v5r s VAL 31 N 1.65 0.22 0.12 0.00 1.01 -1.23 -3.20 120.40 118.98 1v5r s VAL 31 Ca 0.04 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.46 1v5r s VAL 31 Cb -0.22 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1v5r s VAL 31 CO 0.08 -0.44 -0.13 -0.70 0.00 0.00 0.00 175.10 173.91 1v5r s GLU 32 N 1.98 0.98 -0.17 2.72 2.12 -1.20 -4.93 118.70 120.20 1v5r s GLU 32 Ca 0.04 -1.22 -0.15 0.00 0.36 0.00 0.00 54.97 54.00 1v5r s GLU 32 Cb -0.16 -0.82 -0.04 0.00 0.26 0.00 0.00 34.13 33.36 1v5r s GLU 32 CO -0.19 0.15 0.34 0.50 -0.54 0.00 0.00 175.26 175.52 1v5r s ARG 33 N -2.69 4.25 -0.05 4.30 3.52 -1.26 -1.04 118.95 125.97 1v5r s ARG 33 Ca 0.08 0.16 -0.01 0.00 -0.13 0.00 0.00 55.73 55.83 1v5r s ARG 33 Cb -0.04 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 1v5r s ARG 33 CO 0.02 0.16 -0.05 1.28 -0.81 0.00 0.00 175.30 175.90 1v5r n LEU 34 N 3.82 1.85 -3.89 -0.88 4.77 -1.04 -4.97 117.00 116.66 1v5r n LEU 34 Ca -0.10 0.01 -0.08 0.00 -0.03 0.00 0.00 56.01 55.81 1v5r n LEU 34 Cb 0.52 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 1v5r n LEU 34 CO 0.40 0.38 0.32 -0.44 -1.33 0.00 0.00 177.39 176.72 1v5r s SER 35 N -4.91 -0.20 -0.61 -1.43 0.01 -1.14 -5.00 113.70 100.43 1v5r s SER 35 Ca -0.07 -0.71 -0.28 0.00 1.31 0.00 0.00 55.95 56.20 1v5r s SER 35 Cb 0.02 0.65 -0.11 0.00 0.21 0.00 0.00 66.02 66.78 1v5r s SER 35 CO 0.10 -1.21 2.47 1.67 0.41 0.00 0.00 173.24 176.69 1v5r n GLN 36 N -0.41 0.79 0.00 12.44 -0.06 -1.26 0.52 117.38 129.40 1v5r n GLN 36 Ca -0.04 0.03 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 1v5r n GLN 36 Cb 0.61 -2.84 0.00 0.00 -4.06 0.00 0.00 30.24 23.95 1v5r n GLN 36 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1v5r n GLY 37 N 6.18 2.19 3.78 1.69 0.00 -1.26 -5.00 105.19 112.76 1v5r n GLY 37 Ca 0.45 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.86 4.05 -0.07 1.61 3.52 0.19 0.13 118.95 127.52 1v5r s ARG 38 Ca 0.00 0.11 -0.16 0.00 -0.13 0.00 0.00 55.73 55.55 1v5r s ARG 38 Cb 0.00 -3.34 0.03 0.00 -1.56 0.00 0.00 34.95 30.08 1v5r s ARG 38 CO 0.00 0.42 0.38 0.71 -0.81 0.00 0.00 175.30 176.01 1v5r s TYR 39 N -0.10 -0.32 -0.14 5.12 1.51 -1.16 -2.48 117.35 119.77 1v5r s TYR 39 Ca 0.17 0.64 -0.29 0.00 -1.01 0.00 0.00 57.07 56.58 1v5r s TYR 39 Cb -0.13 0.15 -0.01 0.00 -0.11 0.00 0.00 41.96 41.86 1v5r s TYR 39 CO 0.06 -0.35 1.03 0.50 -1.11 0.00 0.00 175.55 175.67 1v5r s ARG 40 N -0.78 4.37 -0.14 -0.62 3.52 -0.21 -3.34 118.95 121.75 1v5r s ARG 40 Ca -0.09 1.40 -0.00 0.00 -0.13 0.00 0.00 55.73 56.91 1v5r s ARG 40 Cb -0.04 -3.57 0.03 0.00 -1.56 0.00 0.00 34.95 29.81 1v5r s ARG 40 CO 0.04 -0.41 -0.09 0.08 -0.81 0.00 0.00 175.30 174.10 1v5r s VAL 41 N 2.37 1.26 -1.48 7.11 1.01 0.71 -3.25 120.40 128.12 1v5r s VAL 41 Ca 0.47 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1v5r s VAL 41 Cb -0.18 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 34.95 1v5r s VAL 41 CO 0.15 0.33 0.44 0.61 0.00 0.00 0.00 175.10 176.63 1v5r n GLY 42 N 4.85 -0.25 3.35 4.51 0.00 -1.19 -0.38 105.19 116.08 1v5r n GLY 42 Ca -0.14 0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.42 -6.97 -3.86 1.61 1.02 -1.26 -5.01 120.64 101.75 1v5r n GLU 43 Ca -0.24 0.76 -0.12 0.00 -0.02 0.00 0.00 57.16 57.55 1v5r n GLU 43 Cb 0.65 -5.56 -0.11 0.00 -0.02 0.00 0.00 31.44 26.39 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 -6.14 0.31 -0.48 3.49 1.02 0.49 -5.12 119.74 113.31 1v5r s LYS 44 Ca 0.51 -0.13 -0.17 0.00 0.02 0.00 0.00 55.97 56.20 1v5r s LYS 44 Cb -0.22 0.13 0.06 0.00 -0.52 0.00 0.00 37.83 37.28 1v5r s LYS 44 CO 0.63 -0.06 0.47 0.42 -0.92 0.00 0.00 175.35 175.89 1v5r s ILE 45 N -0.67 5.12 0.26 2.17 -1.09 -1.26 -0.21 121.20 125.51 1v5r s ILE 45 Ca -0.08 -0.85 0.11 0.00 -2.23 0.00 0.00 60.65 57.61 1v5r s ILE 45 Cb -0.05 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.61 1v5r s ILE 45 CO 0.01 -0.64 -0.18 -0.76 -1.23 0.00 0.00 174.94 172.14 1v5r s LEU 46 N 1.98 2.66 -0.49 2.97 1.43 -1.21 -5.03 118.68 120.98 1v5r s LEU 46 Ca 0.08 -0.93 -0.13 0.00 -1.03 0.00 0.00 54.13 52.11 1v5r s LEU 46 Cb -0.22 -1.21 0.10 0.00 0.03 0.00 0.00 46.19 44.89 1v5r s LEU 46 CO 0.09 0.05 0.40 -0.36 0.23 0.00 0.00 176.35 176.76 1v5r s PHE 47 N -2.31 3.30 -0.37 0.29 0.08 -1.25 -3.01 117.98 114.71 1v5r s PHE 47 Ca 0.28 -1.34 -0.21 0.00 0.12 0.00 0.00 56.93 55.79 1v5r s PHE 47 Cb -0.06 -3.42 0.01 0.00 -0.57 0.00 0.00 43.02 38.98 1v5r s PHE 47 CO 0.15 -0.92 0.68 0.42 -0.10 0.00 0.00 175.22 175.45 1v5r s ILE 48 N 1.54 4.84 0.43 0.64 1.01 0.35 -0.44 121.20 129.56 1v5r s ILE 48 Ca 0.04 0.63 0.08 0.00 0.00 0.00 0.00 60.65 61.39 1v5r s ILE 48 Cb -0.26 -4.13 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 1v5r s ILE 48 CO 0.03 -0.37 0.37 -0.13 0.00 0.00 0.00 174.94 174.84 1v5r s ARG 49 N 2.83 2.48 -0.12 2.79 0.52 0.86 -4.39 118.95 123.92 1v5r s ARG 49 Ca 0.26 -1.60 -0.01 0.00 -0.52 0.00 0.00 55.73 53.87 1v5r s ARG 49 Cb -0.14 -2.33 0.03 0.00 0.52 0.00 0.00 34.95 33.03 1v5r s ARG 49 CO 0.16 -0.23 -0.04 1.41 0.02 0.00 0.00 175.30 176.62 1v5r s MET 50 N -4.13 1.21 -0.49 3.54 1.75 -1.26 -1.04 119.30 118.88 1v5r s MET 50 Ca 0.47 -0.23 -0.29 0.00 -1.25 0.00 0.00 55.69 54.39 1v5r s MET 50 Cb -0.03 -1.56 0.03 0.00 2.84 0.00 0.00 34.83 36.11 1v5r s MET 50 CO 0.27 -0.34 1.17 -0.51 -0.65 0.00 0.00 175.02 174.97 1v5r s LEU 51 N 1.77 3.60 -1.31 4.11 1.43 0.83 -3.67 118.68 125.44 1v5r s LEU 51 Ca 0.04 0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.58 1v5r s LEU 51 Cb -0.13 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.59 1v5r s LEU 51 CO -0.07 -1.31 0.07 1.41 0.23 0.00 0.00 176.35 176.68 1v5r n HIS 52 N 8.04 -1.36 -3.47 0.29 8.25 -1.26 -0.99 115.22 124.72 1v5r n HIS 52 Ca 0.12 0.07 -0.25 0.00 -0.26 0.00 0.00 57.72 57.39 1v5r n HIS 52 Cb 0.49 -3.23 0.01 0.00 1.12 0.00 0.00 29.99 28.38 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 -1.94 -4.34 0.00 0.41 3.02 -1.24 -4.78 115.26 106.38 1v5r n ASN 53 Ca -0.16 -0.49 0.00 0.00 -0.03 0.00 0.00 54.58 53.90 1v5r n ASN 53 Cb 0.63 -3.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.26 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 -4.02 0.00 -5.02 3.52 4.81 -0.16 -5.04 118.16 112.25 1v5r n LYS 54 Ca -0.01 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.10 1v5r n LYS 54 Cb 0.55 -0.72 -0.14 0.00 0.02 0.00 0.00 35.03 34.74 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 -1.66 2.59 -0.34 5.64 3.76 -1.05 -4.96 115.29 119.27 1v5r s HIS 55 Ca 0.00 -0.30 -0.08 0.00 -0.15 0.00 0.00 55.06 54.53 1v5r s HIS 55 Cb 0.00 -1.60 0.03 0.00 1.11 0.00 0.00 32.58 32.11 1v5r s HIS 55 CO 0.00 0.08 0.14 0.08 -0.85 0.00 0.00 174.74 174.19 1v5r s VAL 56 N -0.60 4.15 0.35 -0.90 1.01 -1.26 -0.12 120.40 123.03 1v5r s VAL 56 Ca 0.09 -0.91 0.09 0.00 0.00 0.00 0.00 61.98 61.25 1v5r s VAL 56 Cb -0.11 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 1v5r s VAL 56 CO 0.01 -0.13 0.05 -0.04 0.00 0.00 0.00 175.10 174.99 1v5r s MET 57 N 1.49 2.13 0.14 2.72 -1.94 -0.20 -1.74 119.30 121.90 1v5r s MET 57 Ca 0.01 -1.76 0.07 0.00 -1.71 0.00 0.00 55.69 52.30 1v5r s MET 57 Cb -0.19 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.66 1v5r s MET 57 CO 0.04 0.08 -0.15 0.14 -0.01 0.00 0.00 175.02 175.13 1v5r s VAL 58 N -2.53 1.50 -0.46 -6.03 -7.23 0.15 -0.10 120.40 105.70 1v5r s VAL 58 Ca 0.36 -1.82 -0.14 0.00 -1.81 0.00 0.00 61.98 58.57 1v5r s VAL 58 Cb 0.01 -1.67 0.07 0.00 0.56 0.00 0.00 36.38 35.35 1v5r s VAL 58 CO 0.20 -0.41 0.37 -0.60 -0.31 0.00 0.00 175.10 174.35 1v5r s ARG 59 N -2.81 2.91 0.33 4.82 3.00 0.42 -2.73 118.95 124.90 1v5r s ARG 59 Ca 0.12 -1.37 0.07 0.00 -1.00 0.00 0.00 55.73 53.56 1v5r s ARG 59 Cb -0.05 -4.07 -0.07 0.00 0.00 0.00 0.00 34.95 30.77 1v5r s ARG 59 CO 0.04 -1.01 -0.04 0.14 0.00 0.00 0.00 175.30 174.43 1v5r s VAL 60 N 1.60 1.84 -0.44 7.11 -7.23 -0.78 -3.90 120.40 118.61 1v5r s VAL 60 Ca 0.04 -2.11 -0.27 0.00 -1.81 0.00 0.00 61.98 57.84 1v5r s VAL 60 Cb -0.24 -2.68 -0.06 0.00 0.56 0.00 0.00 36.38 33.96 1v5r s VAL 60 CO 0.06 -0.16 2.31 -0.83 -0.31 0.00 0.00 175.10 176.17 1v5r s GLY 61 N -3.56 -0.17 0.00 2.32 0.00 -1.26 -1.91 107.32 102.75 1v5r s GLY 61 Ca 0.33 0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1v5r s GLY 61 CO 0.15 4.00 0.00 0.61 0.00 0.00 0.00 173.10 177.86 1v5r n GLY 62 N 5.92 2.96 0.00 0.20 0.00 -1.26 -5.07 105.19 107.94 1v5r n GLY 62 Ca 0.34 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 -0.72 3.06 -0.02 0.00 -0.80 -5.14 105.19 101.57 1v5r n GLY 63 Ca 0.00 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.00 1.31 0.43 1.61 0.52 -1.26 -1.86 118.94 115.69 1v5r s TRP 64 Ca 0.00 -0.35 0.03 0.00 0.02 0.00 0.00 56.10 55.80 1v5r s TRP 64 Cb 0.00 -0.90 -0.02 0.00 -1.15 0.00 0.00 33.47 31.40 1v5r s TRP 64 CO 0.00 -0.13 0.11 -1.83 0.02 0.00 0.00 176.95 175.12 1v5r s GLU 65 N 0.12 1.99 -0.25 4.98 -1.05 -1.10 -4.90 118.70 118.48 1v5r s GLU 65 Ca -0.03 -2.22 -0.26 0.00 -0.15 0.00 0.00 54.97 52.31 1v5r s GLU 65 Cb -0.10 -0.78 0.00 0.00 -0.44 0.00 0.00 34.13 32.81 1v5r s GLU 65 CO 0.01 -0.46 0.89 0.95 0.95 0.00 0.00 175.26 177.60 1v5r s THR 66 N -3.14 4.78 0.23 1.83 -4.23 -1.26 -0.68 115.64 113.17 1v5r s THR 66 Ca 0.20 1.64 -0.14 0.00 -1.18 0.00 0.00 61.69 62.22 1v5r s THR 66 Cb 0.02 -4.18 0.29 0.00 1.34 0.00 0.00 72.50 69.97 1v5r s THR 66 CO 0.12 -0.14 1.49 0.33 -0.54 0.00 0.00 174.62 175.88 1v5r n PHE 67 N 6.15 0.12 -0.08 3.99 7.35 -0.71 0.21 117.46 134.49 1v5r n PHE 67 Ca 0.07 1.18 0.11 0.00 -0.76 0.00 0.00 57.45 58.04 1v5r n PHE 67 Cb 0.47 -0.92 0.48 0.00 0.35 0.00 0.00 39.48 39.87 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 1.50 1.95 -0.11 3.13 0.00 -1.92 -0.58 119.26 123.22 1v5r h ALA 68 Ca 0.37 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 1v5r h ALA 68 Cb 0.61 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1v5r h ALA 68 CO -0.96 -0.07 -0.70 0.78 0.00 0.00 0.00 179.25 178.29 1v5r h GLY 69 N 0.46 0.54 2.00 0.00 0.00 0.21 -0.52 103.07 105.76 1v5r h GLY 69 Ca 0.27 -0.74 -0.10 0.00 0.00 0.00 0.00 47.33 46.76 1v5r h GLY 69 CO -0.08 0.66 -0.48 -1.82 0.00 0.00 0.00 176.54 174.83 1v5r h TYR 70 N 0.34 0.00 0.14 5.60 5.03 0.02 -1.95 116.97 126.15 1v5r h TYR 70 Ca -0.03 0.00 -0.27 0.00 2.58 0.00 0.00 58.73 61.01 1v5r h TYR 70 Cb 1.28 0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.57 1v5r h TYR 70 CO 0.05 0.48 -1.34 1.25 -1.32 0.00 0.00 178.16 177.28 1v5r h LEU 71 N 0.00 0.46 -0.55 2.82 5.85 -1.10 -3.19 115.31 119.61 1v5r h LEU 71 Ca -0.00 -0.89 -0.09 0.00 0.84 0.00 0.00 57.88 57.74 1v5r h LEU 71 Cb 1.11 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1v5r h LEU 71 CO 0.06 1.60 -0.00 0.17 -0.34 0.00 0.00 178.44 179.93 1v5r h LEU 72 N -0.23 0.96 -1.43 2.25 8.10 -1.14 0.20 115.31 124.02 1v5r h LEU 72 Ca -0.27 -0.31 -0.03 0.00 0.11 0.00 0.00 57.88 57.38 1v5r h LEU 72 Cb 1.81 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 41.76 1v5r h LEU 72 CO 0.11 1.03 0.03 0.07 -4.11 0.00 0.00 178.44 175.58 1v5r h LYS 73 N 0.86 0.41 0.06 0.17 2.10 -1.50 -3.07 116.57 115.59 1v5r h LYS 73 Ca 0.16 -0.07 -0.12 0.00 -2.00 0.00 0.00 60.65 58.62 1v5r h LYS 73 Cb 0.54 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.81 1v5r h LYS 73 CO 0.03 0.41 -0.56 0.45 -2.00 0.00 0.00 179.45 177.78 1v5r h HIS 74 N 0.40 0.22 -3.24 0.07 3.86 -1.47 -3.45 115.15 111.54 1v5r h HIS 74 Ca 0.09 -0.16 -0.55 0.00 -1.16 0.00 0.00 60.37 58.60 1v5r h HIS 74 Cb 0.22 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 1v5r h HIS 74 CO 0.01 1.22 0.55 0.34 0.86 0.00 0.00 177.93 180.90 1v5r s ASP 75 N -6.62 7.19 -0.02 2.45 -1.08 0.69 -4.97 116.67 114.32 1v5r s ASP 75 Ca -0.19 1.74 -0.23 0.00 -0.52 0.00 0.00 52.55 53.36 1v5r s ASP 75 Cb 0.00 -2.57 -0.16 0.00 -1.46 0.00 0.00 42.92 38.74 1v5r s ASP 75 CO 0.73 -0.44 1.05 1.55 0.52 0.00 0.00 175.17 178.58 1v5r h PRO 76 N 7.06 -0.31 -0.90 4.34 0.13 -1.87 -3.00 132.00 137.44 1v5r h PRO 76 Ca -0.37 0.02 0.19 0.00 -0.87 0.00 0.00 66.00 64.97 1v5r h PRO 76 Cb 1.18 0.07 -0.07 0.00 0.13 0.00 0.00 31.00 32.32 1v5r h PRO 76 CO 0.82 0.05 0.59 0.00 -0.23 0.00 0.00 178.00 179.24 1v5r h ARG 78 N 0.50 0.18 -1.54 0.00 3.08 -1.84 -2.52 114.38 112.24 1v5r h ARG 78 Ca 0.47 -0.03 0.45 0.00 0.07 0.00 0.00 59.98 60.94 1v5r h ARG 78 Cb 1.03 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.99 1v5r h ARG 78 CO -0.20 0.27 1.28 0.52 -1.07 0.00 0.00 179.97 180.76 1v5r h MET 79 N 0.05 0.00 -1.46 0.04 2.86 -1.04 0.18 114.93 115.56 1v5r h MET 79 Ca 0.04 0.00 0.46 0.00 -2.06 0.00 0.00 59.70 58.14 1v5r h MET 79 Cb 0.15 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.70 1v5r h MET 79 CO -0.00 0.00 0.99 -0.07 1.06 0.00 0.00 176.91 178.88 1v5r h LEU 80 N 0.00 0.17 -2.85 1.22 3.38 -1.50 0.73 115.31 116.45 1v5r h LEU 80 Ca 0.73 0.09 -0.09 0.00 0.09 0.00 0.00 57.88 58.70 1v5r h LEU 80 Cb 3.28 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 44.07 1v5r h LEU 80 CO -0.01 -0.12 0.12 0.00 0.09 0.00 0.00 178.44 178.52 1v5r n GLN 81 N -4.47 1.23 -3.77 1.13 10.64 0.64 -4.68 117.38 118.10 1v5r n GLN 81 Ca 0.38 -0.48 -0.29 0.00 -1.83 0.00 0.00 57.00 54.77 1v5r n GLN 81 Cb 1.55 -1.19 -0.16 0.00 -0.86 0.00 0.00 30.24 29.58 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 -0.65 0.88 0.16 -0.39 -1.09 0.25 -5.00 121.20 115.37 1v5r s ILE 82 Ca 0.09 -1.12 -0.14 0.00 -2.23 0.00 0.00 60.65 57.26 1v5r s ILE 82 Cb 0.08 -1.50 0.05 0.00 -1.58 0.00 0.00 42.46 39.51 1v5r s ILE 82 CO 0.00 -0.44 1.76 0.77 -1.23 0.00 0.00 174.94 175.80 1v5r h SER 83 N 8.11 0.68 -3.23 3.58 4.64 -1.85 -3.44 113.55 122.05 1v5r h SER 83 Ca -0.15 -0.11 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 1v5r h SER 83 Cb 1.06 -0.17 -0.26 0.00 -0.31 0.00 0.00 62.40 62.71 1v5r h SER 83 CO 0.42 0.60 -0.29 -0.60 -0.87 0.00 0.00 176.83 176.10 1v5r s ARG 84 N -5.76 0.40 0.16 4.77 6.06 -1.26 -5.17 118.95 118.15 1v5r s ARG 84 Ca -0.13 0.80 0.07 0.00 -2.50 0.00 0.00 55.73 53.97 1v5r s ARG 84 Cb 0.12 -0.01 -0.04 0.00 0.06 0.00 0.00 34.95 35.08 1v5r s ARG 84 CO 0.77 -0.16 -0.02 0.54 -2.50 0.00 0.00 175.30 173.93 1v5r s VAL 85 N 1.38 3.68 -0.11 7.11 0.11 -1.26 -5.05 120.40 126.26 1v5r s VAL 85 Ca -0.09 -1.37 -0.25 0.00 -2.93 0.00 0.00 61.98 57.34 1v5r s VAL 85 Cb -0.08 -2.82 -0.27 0.00 -1.53 0.00 0.00 36.38 31.67 1v5r s VAL 85 CO -0.13 -0.06 0.75 0.44 -3.33 0.00 0.00 175.10 172.77 1v5r h ASP 86 N 2.91 0.21 -3.99 3.54 5.19 -2.03 -3.50 116.42 118.75 1v5r h ASP 86 Ca -0.47 -0.93 0.00 0.00 -0.62 0.00 0.00 57.03 55.01 1v5r h ASP 86 Cb 1.19 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1v5r h ASP 86 CO 0.57 1.24 -0.53 0.61 -3.12 0.00 0.00 179.24 178.02 1v5r n GLY 87 N 1.63 -4.44 3.30 2.75 0.00 -1.26 -5.09 105.19 102.09 1v5r n GLY 87 Ca -0.15 -0.58 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 1v5r n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v5r s LYS 88 N -2.39 0.71 0.18 1.61 -0.14 -1.26 -5.15 119.74 113.31 1v5r s LYS 88 Ca 0.00 0.02 -0.30 0.00 -1.36 0.00 0.00 55.97 54.33 1v5r s LYS 88 Cb 0.00 0.33 -0.08 0.00 -1.68 0.00 0.00 37.83 36.40 1v5r s LYS 88 CO 0.00 -0.19 1.19 0.99 -0.76 0.00 0.00 175.35 176.58 1v5r s THR 89 N -1.04 3.60 -0.53 2.17 2.01 -1.26 -5.01 115.64 115.58 1v5r s THR 89 Ca -0.11 1.34 0.04 0.00 0.31 0.00 0.00 61.69 63.27 1v5r s THR 89 Cb -0.04 -3.86 0.14 0.00 0.01 0.00 0.00 72.50 68.75 1v5r s THR 89 CO 0.05 0.21 0.30 -0.55 -0.69 0.00 0.00 174.62 173.93 1v5r s SER 90 N 0.15 4.22 -0.44 3.53 0.15 -1.26 -5.07 113.70 114.99 1v5r s SER 90 Ca 0.53 -3.09 -0.28 0.00 0.70 0.00 0.00 55.95 53.81 1v5r s SER 90 Cb -0.32 -1.51 -0.01 0.00 -1.71 0.00 0.00 66.02 62.47 1v5r s SER 90 CO 0.36 -0.21 1.76 -2.16 1.20 0.00 0.00 173.24 174.19 1v5r s PRO 91 N -0.37 3.13 -0.09 5.44 0.04 -1.26 -4.95 135.00 136.94 1v5r s PRO 91 Ca 0.19 1.07 -0.22 0.00 0.04 0.00 0.00 61.00 62.08 1v5r s PRO 91 Cb -0.21 -4.23 0.05 0.00 0.04 0.00 0.00 34.50 30.14 1v5r s PRO 91 CO -0.03 -2.11 0.52 0.45 0.04 0.00 0.00 177.00 175.87 1v5r s SER 92 N 6.43 -0.48 -0.18 6.66 0.15 -1.26 -5.17 113.70 119.84 1v5r s SER 92 Ca 0.72 0.65 -0.28 0.00 0.70 0.00 0.00 55.95 57.75 1v5r s SER 92 Cb -0.18 0.66 0.09 0.00 -1.71 0.00 0.00 66.02 64.88 1v5r s SER 92 CO 0.29 -0.42 0.80 -0.83 1.20 0.00 0.00 173.24 174.28 1v5r s GLY 93 N -0.74 -0.45 0.81 9.45 0.00 -1.26 -5.17 107.32 109.97 1v5r s GLY 93 Ca -0.08 1.91 -0.11 0.00 0.00 0.00 0.00 44.72 46.44 1v5r s GLY 93 CO 0.05 1.40 1.09 2.56 0.00 0.00 0.00 173.10 178.20 1v5r s PRO 94 N -0.39 1.93 -0.79 2.90 0.04 -1.26 -4.91 135.00 132.53 1v5r s PRO 94 Ca -0.03 1.06 -0.25 0.00 0.04 0.00 0.00 61.00 61.82 1v5r s PRO 94 Cb -0.03 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 1v5r s PRO 94 CO 0.03 -1.84 1.84 0.45 0.04 0.00 0.00 177.00 177.52 1v5r s SER 95 N -3.40 5.35 0.30 6.66 0.15 -1.26 -4.90 113.70 116.60 1v5r s SER 95 Ca 0.62 -0.34 0.05 0.00 0.70 0.00 0.00 55.95 56.98 1v5r s SER 95 Cb -0.17 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 1v5r s SER 95 CO 0.56 -2.46 0.23 -0.94 1.20 0.00 0.00 173.24 171.84 1v5r s SER 96 N 7.58 1.35 0.00 5.45 1.04 -1.26 -5.39 113.70 122.47 1v5r s SER 96 Ca 0.65 -1.66 0.00 0.00 0.48 0.00 0.00 55.95 55.42 1v5r s SER 96 Cb -0.08 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1v5r s SER 96 CO 0.07 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.91