#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 -0.39 -0.12 1.61 1.04 -1.26 -5.03 113.70 109.55 1v5r s SER 2 Ca 0.00 0.60 -0.02 0.00 0.48 0.00 0.00 55.95 57.01 1v5r s SER 2 Cb 0.00 1.26 0.02 0.00 0.10 0.00 0.00 66.02 67.40 1v5r s SER 2 CO 0.00 -0.09 2.34 -1.20 0.98 0.00 0.00 173.24 175.27 1v5r n SER 3 N 3.93 5.72 0.00 7.02 7.64 -1.26 -4.91 113.62 131.76 1v5r n SER 3 Ca -0.15 -2.66 0.00 0.00 1.01 0.00 0.00 58.87 57.07 1v5r n SER 3 Cb 0.56 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.59 1v5r n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v5r n GLY 4 N 1.31 1.16 3.72 0.23 0.00 -1.26 -4.94 105.19 105.41 1v5r n GLY 4 Ca 0.19 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.00 0.05 0.08 1.61 0.15 -1.26 -5.11 113.70 105.22 1v5r s SER 5 Ca 0.00 -0.99 -0.01 0.00 0.70 0.00 0.00 55.95 55.65 1v5r s SER 5 Cb 0.00 0.73 -0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1v5r s SER 5 CO 0.00 -1.40 -0.01 -1.20 1.20 0.00 0.00 173.24 171.82 1v5r n SER 6 N -0.89 1.11 0.00 5.45 7.64 -1.26 -5.10 113.62 120.57 1v5r n SER 6 Ca -0.04 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1v5r n SER 6 Cb 0.60 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 3.41 -0.81 3.24 0.23 0.00 -1.26 -5.10 105.19 104.90 1v5r n GLY 7 Ca -0.01 0.64 -0.43 0.00 0.00 0.00 0.00 46.02 46.22 1v5r n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v5r s ASN 8 N 0.00 6.24 0.00 1.61 4.22 -1.26 -4.82 114.94 120.93 1v5r s ASN 8 Ca 0.00 -2.86 0.22 0.00 -2.14 0.00 0.00 52.86 48.08 1v5r s ASN 8 Cb 0.00 -2.07 -0.02 0.00 1.28 0.00 0.00 41.25 40.44 1v5r s ASN 8 CO 0.00 -0.46 1.07 0.00 -2.04 0.00 0.00 177.10 175.66 1v5r n LEU 9 N 3.63 1.57 0.09 3.54 -0.00 -1.26 -4.25 117.00 120.31 1v5r n LEU 9 Ca 0.13 -0.61 -0.18 0.00 -0.00 0.00 0.00 56.01 55.35 1v5r n LEU 9 Cb 0.43 -0.02 -0.14 0.00 -0.00 0.00 0.00 43.42 43.69 1v5r n LEU 9 CO 0.34 0.31 -0.25 0.25 -0.00 0.00 0.00 177.39 178.05 1v5r h LEU 10 N 1.45 0.46 -1.41 1.47 5.85 -1.93 -3.28 115.31 117.92 1v5r h LEU 10 Ca 0.00 -0.58 -0.06 0.00 0.84 0.00 0.00 57.88 58.09 1v5r h LEU 10 Cb 0.65 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1v5r h LEU 10 CO 0.00 1.47 -0.27 -0.78 -0.34 0.00 0.00 178.44 178.52 1v5r h ASP 11 N 0.08 0.00 0.18 1.25 1.82 -1.91 -2.14 116.42 115.71 1v5r h ASP 11 Ca -0.22 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.41 1v5r h ASP 11 Cb 2.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.04 1v5r h ASP 11 CO 0.19 0.27 -0.09 -0.78 -1.61 0.00 0.00 179.24 177.22 1v5r h ASP 12 N 0.00 -0.21 -0.07 2.28 3.58 -1.75 -0.46 116.42 119.79 1v5r h ASP 12 Ca -0.00 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.18 1v5r h ASP 12 Cb 0.59 0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.69 1v5r h ASP 12 CO 0.04 0.18 0.03 0.00 -2.88 0.00 0.00 179.24 176.61 1v5r h ALA 13 N 0.08 0.10 -0.33 -0.78 0.00 -1.60 -0.80 119.26 115.92 1v5r h ALA 13 Ca -0.02 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1v5r h ALA 13 Cb 0.46 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1v5r h ALA 13 CO 0.04 -0.34 0.16 0.28 0.00 0.00 0.00 179.25 179.39 1v5r h VAL 14 N -0.01 0.99 -0.52 0.00 2.07 -1.45 0.26 116.25 117.59 1v5r h VAL 14 Ca 0.03 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1v5r h VAL 14 Cb 0.13 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1v5r h VAL 14 CO -0.00 0.06 0.33 0.50 0.02 0.00 0.00 177.57 178.48 1v5r h LYS 15 N 0.34 0.69 0.65 1.57 3.64 -0.97 0.38 116.57 122.87 1v5r h LYS 15 Ca 0.14 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1v5r h LYS 15 Cb 0.05 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1v5r h LYS 15 CO -0.10 0.48 -0.31 0.00 -2.27 0.00 0.00 179.45 177.25 1v5r h ARG 16 N 0.70 -0.85 -0.52 1.90 3.08 -0.77 -2.20 114.38 115.72 1v5r h ARG 16 Ca 0.19 0.06 0.10 0.00 0.07 0.00 0.00 59.98 60.40 1v5r h ARG 16 Cb -0.05 0.19 -0.10 0.00 0.08 0.00 0.00 29.97 30.09 1v5r h ARG 16 CO -0.04 -0.56 -0.14 0.82 -1.07 0.00 0.00 179.97 178.98 1v5r h ILE 17 N -1.17 0.46 -0.77 2.04 2.04 -0.49 0.25 117.51 119.87 1v5r h ILE 17 Ca -0.09 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.87 1v5r h ILE 17 Cb 0.67 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1v5r h ILE 17 CO 0.15 0.00 0.50 0.77 0.00 0.00 0.00 178.15 179.57 1v5r h SER 18 N -0.01 0.61 -0.74 1.72 4.64 -0.96 -0.54 113.55 118.26 1v5r h SER 18 Ca 0.25 0.02 -0.41 0.00 -0.47 0.00 0.00 61.79 61.17 1v5r h SER 18 Cb 0.39 -0.11 -0.24 0.00 -0.31 0.00 0.00 62.40 62.14 1v5r h SER 18 CO -0.54 0.36 0.33 -0.62 -0.87 0.00 0.00 176.83 175.50 1v5r n GLU 19 N -4.50 2.19 -3.15 4.77 -0.58 0.42 -4.52 120.64 115.28 1v5r n GLU 19 Ca 0.13 -3.16 0.05 0.00 -0.42 0.00 0.00 57.16 53.76 1v5r n GLU 19 Cb 0.34 -2.06 -0.01 0.00 -0.57 0.00 0.00 31.44 29.14 1v5r n GLU 19 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1v5r s ASP 20 N -1.93 -0.41 0.44 1.62 -1.08 0.60 -3.89 116.67 112.02 1v5r s ASP 20 Ca 0.53 0.15 -0.24 0.00 -0.52 0.00 0.00 52.55 52.47 1v5r s ASP 20 Cb 0.45 1.30 -0.08 0.00 -1.46 0.00 0.00 42.92 43.14 1v5r s ASP 20 CO 0.05 -0.08 1.17 -2.16 0.52 0.00 0.00 175.17 174.67 1v5r s PRO 21 N 2.96 3.84 0.15 4.34 0.04 -1.25 -4.32 135.00 140.74 1v5r s PRO 21 Ca 0.12 1.80 -0.31 0.00 0.04 0.00 0.00 61.00 62.66 1v5r s PRO 21 Cb -0.06 -2.48 -0.08 0.00 0.04 0.00 0.00 34.50 31.92 1v5r s PRO 21 CO -0.17 -0.50 1.33 -1.25 0.04 0.00 0.00 177.00 176.46 1v5r s PRO 22 N -2.58 4.36 -0.23 0.56 0.04 -1.25 -4.89 135.00 131.01 1v5r s PRO 22 Ca 0.62 2.04 -0.34 0.00 0.04 0.00 0.00 61.00 63.36 1v5r s PRO 22 Cb -0.29 -3.23 -0.10 0.00 0.04 0.00 0.00 34.50 30.91 1v5r s PRO 22 CO 0.36 -0.33 2.07 0.00 0.04 0.00 0.00 177.00 179.14 1v5r h LYS 24 N 11.62 0.27 -5.03 0.00 1.57 -1.90 -3.46 116.57 119.64 1v5r h LYS 24 Ca -0.39 -0.17 -0.48 0.00 -1.87 0.00 0.00 60.65 57.74 1v5r h LYS 24 Cb 1.29 0.02 0.18 0.00 0.08 0.00 0.00 32.23 33.79 1v5r h LYS 24 CO 0.98 0.77 -1.25 0.00 -0.57 0.00 0.00 179.45 179.37 1v5r n PRO 26 N 1.66 0.49 -4.41 0.00 -0.04 -1.26 -4.65 135.00 126.79 1v5r n PRO 26 Ca 0.03 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.29 1v5r n PRO 26 Cb 0.43 -1.31 -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 -0.08 -0.04 0.00 0.00 175.50 175.38 1v5r s THR 27 N -2.00 0.87 0.05 0.52 -1.32 -1.26 -5.15 115.64 107.36 1v5r s THR 27 Ca 0.15 -0.59 -0.11 0.00 -1.21 0.00 0.00 61.69 59.93 1v5r s THR 27 Cb 0.07 -0.75 -0.06 0.00 -1.51 0.00 0.00 72.50 70.25 1v5r s THR 27 CO 0.11 0.15 0.39 -0.75 -2.21 0.00 0.00 174.62 172.32 1v5r s LYS 28 N -0.50 3.78 0.90 7.08 2.47 -1.26 -4.89 119.74 127.32 1v5r s LYS 28 Ca 0.03 0.22 -0.11 0.00 -1.56 0.00 0.00 55.97 54.55 1v5r s LYS 28 Cb -0.05 -3.05 0.13 0.00 -1.46 0.00 0.00 37.83 33.40 1v5r s LYS 28 CO -0.00 0.60 1.10 0.12 0.16 0.00 0.00 175.35 177.33 1v5r s PHE 29 N -1.32 2.04 -0.50 4.03 2.19 -1.26 -4.96 117.98 118.20 1v5r s PHE 29 Ca 0.30 1.51 -0.22 0.00 0.33 0.00 0.00 56.93 58.86 1v5r s PHE 29 Cb -0.14 -3.18 0.04 0.00 -1.31 0.00 0.00 43.02 38.43 1v5r s PHE 29 CO 0.17 -2.55 0.76 0.00 1.83 0.00 0.00 175.22 175.43 1v5r s VAL 31 N 3.22 0.00 0.09 0.00 1.01 -1.16 -2.60 120.40 120.96 1v5r s VAL 31 Ca 0.24 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 61.88 1v5r s VAL 31 Cb -0.15 -0.75 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 1v5r s VAL 31 CO 0.17 -0.40 -0.13 -0.70 0.00 0.00 0.00 175.10 174.04 1v5r s GLU 32 N 2.09 0.88 -0.11 2.72 2.56 -1.09 -4.91 118.70 120.83 1v5r s GLU 32 Ca 0.04 -1.07 -0.17 0.00 0.00 0.00 0.00 54.97 53.76 1v5r s GLU 32 Cb -0.16 -0.79 -0.04 0.00 2.00 0.00 0.00 34.13 35.14 1v5r s GLU 32 CO -0.16 0.16 0.45 0.50 -0.56 0.00 0.00 175.26 175.65 1v5r s ARG 33 N -2.19 4.31 -0.07 4.30 3.52 -1.26 0.01 118.95 127.57 1v5r s ARG 33 Ca 0.02 0.41 -0.02 0.00 -0.13 0.00 0.00 55.73 56.01 1v5r s ARG 33 Cb -0.07 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 1v5r s ARG 33 CO 0.02 0.20 -0.08 1.28 -0.81 0.00 0.00 175.30 175.92 1v5r n LEU 34 N 3.53 1.29 -4.14 -0.88 4.77 -0.52 -4.93 117.00 116.12 1v5r n LEU 34 Ca -0.08 0.04 -0.15 0.00 -0.03 0.00 0.00 56.01 55.79 1v5r n LEU 34 Cb 0.52 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.34 1v5r n LEU 34 CO 0.42 0.29 0.06 -0.44 -1.33 0.00 0.00 177.39 176.39 1v5r s SER 35 N -5.29 1.01 0.17 -1.43 0.01 -1.03 -4.97 113.70 102.17 1v5r s SER 35 Ca -0.09 -1.52 -0.27 0.00 1.31 0.00 0.00 55.95 55.38 1v5r s SER 35 Cb 0.03 0.62 -0.00 0.00 0.21 0.00 0.00 66.02 66.87 1v5r s SER 35 CO 0.13 -1.20 1.46 0.00 0.41 0.00 0.00 173.24 174.04 1v5r n GLN 36 N -0.55 -0.38 -2.12 12.44 6.02 -1.26 -1.74 117.38 129.79 1v5r n GLN 36 Ca 0.02 1.44 -0.26 0.00 -0.01 0.00 0.00 57.00 58.20 1v5r n GLN 36 Cb 0.62 -2.12 0.02 0.00 1.02 0.00 0.00 30.24 29.78 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 -1.28 6.24 2.91 1.08 0.00 -1.26 -4.89 105.19 107.98 1v5r n GLY 37 Ca 0.04 -2.68 -0.16 0.00 0.00 0.00 0.00 46.02 43.22 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 0.36 0.01 1.61 3.52 -0.71 -2.04 118.95 118.09 1v5r s ARG 38 Ca 0.51 -0.09 -0.16 0.00 -0.13 0.00 0.00 55.73 55.86 1v5r s ARG 38 Cb 0.41 -0.40 0.03 0.00 -1.56 0.00 0.00 34.95 33.43 1v5r s ARG 38 CO -0.04 0.02 0.34 0.71 -0.81 0.00 0.00 175.30 175.51 1v5r s TYR 39 N 0.24 -0.19 -0.61 5.12 1.51 -1.17 -1.44 117.35 120.81 1v5r s TYR 39 Ca -0.02 0.23 -0.22 0.00 -1.01 0.00 0.00 57.07 56.04 1v5r s TYR 39 Cb -0.05 0.12 0.07 0.00 -0.11 0.00 0.00 41.96 41.98 1v5r s TYR 39 CO -0.00 -0.45 0.89 0.50 -1.11 0.00 0.00 175.55 175.37 1v5r s ARG 40 N -1.76 3.16 -0.14 -0.62 3.52 0.10 -2.99 118.95 120.21 1v5r s ARG 40 Ca -0.10 -0.75 -0.03 0.00 -0.13 0.00 0.00 55.73 54.72 1v5r s ARG 40 Cb -0.03 -4.17 -0.02 0.00 -1.56 0.00 0.00 34.95 29.16 1v5r s ARG 40 CO 0.02 -1.63 -0.06 0.08 -0.81 0.00 0.00 175.30 172.90 1v5r s VAL 41 N 3.72 3.69 -0.77 7.11 1.01 0.11 -2.67 120.40 132.59 1v5r s VAL 41 Ca 0.22 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 1v5r s VAL 41 Cb -0.17 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.62 1v5r s VAL 41 CO 0.12 0.51 0.61 0.61 0.00 0.00 0.00 175.10 176.95 1v5r n GLY 42 N 3.44 -1.11 3.50 4.51 0.00 -1.07 0.27 105.19 114.73 1v5r n GLY 42 Ca -0.18 0.69 -0.26 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.28 -1.29 -3.87 1.61 0.00 -1.26 -4.85 120.64 108.69 1v5r n GLU 43 Ca -0.29 0.08 -0.11 0.00 0.00 0.00 0.00 57.16 56.84 1v5r n GLU 43 Cb 0.69 -3.86 -0.10 0.00 0.00 0.00 0.00 31.44 28.18 1v5r n GLU 43 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1v5r s LYS 44 N -5.60 0.50 -0.37 5.31 1.02 0.14 -5.13 119.74 115.61 1v5r s LYS 44 Ca 0.50 -0.42 -0.13 0.00 0.02 0.00 0.00 55.97 55.94 1v5r s LYS 44 Cb -0.29 0.21 0.01 0.00 -0.52 0.00 0.00 37.83 37.24 1v5r s LYS 44 CO 0.61 -0.12 0.24 0.42 -0.92 0.00 0.00 175.35 175.59 1v5r s ILE 45 N -1.48 5.02 -0.02 2.17 -1.09 -1.26 0.04 121.20 124.58 1v5r s ILE 45 Ca -0.14 -0.57 0.05 0.00 -2.23 0.00 0.00 60.65 57.76 1v5r s ILE 45 Cb -0.07 -3.71 -0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1v5r s ILE 45 CO 0.01 -0.17 -0.16 -0.76 -1.23 0.00 0.00 174.94 172.63 1v5r s LEU 46 N 1.65 2.00 -0.54 2.97 1.43 -1.16 -5.00 118.68 120.03 1v5r s LEU 46 Ca 0.04 -0.30 -0.25 0.00 -1.03 0.00 0.00 54.13 52.60 1v5r s LEU 46 Cb -0.18 -0.84 0.04 0.00 0.03 0.00 0.00 46.19 45.23 1v5r s LEU 46 CO 0.09 0.18 1.00 -0.36 0.23 0.00 0.00 176.35 177.49 1v5r s PHE 47 N -0.27 2.77 -0.26 0.29 0.40 -1.26 -3.04 117.98 116.61 1v5r s PHE 47 Ca 0.04 0.17 -0.15 0.00 -0.60 0.00 0.00 56.93 56.39 1v5r s PHE 47 Cb -0.07 -4.16 -0.04 0.00 0.51 0.00 0.00 43.02 39.26 1v5r s PHE 47 CO -0.00 -1.36 0.37 0.42 0.70 0.00 0.00 175.22 175.35 1v5r s ILE 48 N 4.15 5.18 0.13 0.64 1.01 -0.87 -0.18 121.20 131.27 1v5r s ILE 48 Ca 0.35 0.57 0.10 0.00 0.00 0.00 0.00 60.65 61.67 1v5r s ILE 48 Cb -0.11 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.62 1v5r s ILE 48 CO 0.22 0.17 -0.23 -0.13 0.00 0.00 0.00 174.94 174.97 1v5r s ARG 49 N 2.00 1.58 -0.28 2.79 1.81 -0.55 -4.47 118.95 121.83 1v5r s ARG 49 Ca 0.15 -1.31 -0.07 0.00 -1.72 0.00 0.00 55.73 52.79 1v5r s ARG 49 Cb -0.16 -1.98 0.00 0.00 -0.45 0.00 0.00 34.95 32.36 1v5r s ARG 49 CO 0.10 0.45 0.07 1.41 -0.68 0.00 0.00 175.30 176.65 1v5r s MET 50 N -2.20 3.22 -0.44 3.54 1.75 -1.26 -1.60 119.30 122.31 1v5r s MET 50 Ca 0.17 -0.77 -0.28 0.00 -1.25 0.00 0.00 55.69 53.55 1v5r s MET 50 Cb -0.10 -3.34 0.01 0.00 2.84 0.00 0.00 34.83 34.23 1v5r s MET 50 CO 0.08 -0.38 1.45 -0.51 -0.65 0.00 0.00 175.02 175.02 1v5r s LEU 51 N 1.52 3.53 -0.79 4.11 1.43 0.11 -3.59 118.68 124.99 1v5r s LEU 51 Ca 0.04 0.73 -0.03 0.00 -1.03 0.00 0.00 54.13 53.83 1v5r s LEU 51 Cb -0.17 -3.41 0.03 0.00 0.03 0.00 0.00 46.19 42.67 1v5r s LEU 51 CO 0.02 -1.54 0.13 1.41 0.23 0.00 0.00 176.35 176.60 1v5r n HIS 52 N 9.21 -1.67 -3.48 0.29 8.25 -1.26 0.26 115.22 126.81 1v5r n HIS 52 Ca 0.16 0.13 -0.25 0.00 -0.26 0.00 0.00 57.72 57.50 1v5r n HIS 52 Cb 0.48 -2.18 0.01 0.00 1.12 0.00 0.00 29.99 29.42 1v5r n HIS 52 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1v5r n ASN 53 N -1.84 -4.38 0.00 0.41 5.15 -1.24 -4.78 115.26 108.59 1v5r n ASN 53 Ca -0.06 -0.50 0.00 0.00 -0.60 0.00 0.00 54.58 53.42 1v5r n ASN 53 Cb 0.55 -3.57 0.00 0.00 -0.53 0.00 0.00 39.78 36.24 1v5r n ASN 53 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1v5r n LYS 54 N -4.05 0.00 -4.75 1.20 4.81 0.14 -5.05 118.16 110.46 1v5r n LYS 54 Ca -0.01 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.12 1v5r n LYS 54 Cb 0.55 -0.72 -0.17 0.00 0.02 0.00 0.00 35.03 34.71 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 2.33 -0.34 5.64 3.76 -0.95 -4.97 115.29 119.10 1v5r s HIS 55 Ca 0.00 -1.08 -0.17 0.00 -0.15 0.00 0.00 55.06 53.66 1v5r s HIS 55 Cb 0.00 -1.61 -0.01 0.00 1.11 0.00 0.00 32.58 32.07 1v5r s HIS 55 CO 0.00 -0.49 0.46 0.08 -0.85 0.00 0.00 174.74 173.93 1v5r s VAL 56 N 0.73 5.07 0.35 -0.90 1.01 -1.26 0.05 120.40 125.45 1v5r s VAL 56 Ca -0.11 0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.23 1v5r s VAL 56 Cb -0.16 -3.90 -0.07 0.00 0.00 0.00 0.00 36.38 32.25 1v5r s VAL 56 CO 0.02 -0.15 -0.07 -0.04 0.00 0.00 0.00 175.10 174.86 1v5r s MET 57 N 2.25 1.81 0.30 2.72 -1.94 -0.62 -1.75 119.30 122.07 1v5r s MET 57 Ca 0.16 -1.95 0.06 0.00 -1.71 0.00 0.00 55.69 52.26 1v5r s MET 57 Cb -0.16 -1.61 -0.06 0.00 2.01 0.00 0.00 34.83 35.01 1v5r s MET 57 CO 0.12 0.09 -0.04 0.14 -0.01 0.00 0.00 175.02 175.32 1v5r s VAL 58 N -2.69 1.65 -0.39 -6.03 -7.23 -0.34 -1.48 120.40 103.89 1v5r s VAL 58 Ca 0.33 -2.10 -0.12 0.00 -1.81 0.00 0.00 61.98 58.27 1v5r s VAL 58 Cb 0.04 -2.56 0.03 0.00 0.56 0.00 0.00 36.38 34.46 1v5r s VAL 58 CO 0.16 -0.23 0.24 -0.60 -0.31 0.00 0.00 175.10 174.37 1v5r s ARG 59 N -3.74 2.85 -0.29 4.82 6.06 0.75 -3.30 118.95 126.10 1v5r s ARG 59 Ca 0.31 -1.10 0.07 0.00 -2.50 0.00 0.00 55.73 52.51 1v5r s ARG 59 Cb 0.05 -3.82 0.46 0.00 0.06 0.00 0.00 34.95 31.69 1v5r s ARG 59 CO 0.13 -0.75 1.20 1.33 -2.50 0.00 0.00 175.30 174.72 1v5r n VAL 60 N 5.05 2.53 -0.83 7.11 0.24 -0.86 -4.13 118.33 127.43 1v5r n VAL 60 Ca -0.11 -4.14 0.00 0.00 -2.04 0.00 0.00 64.34 58.04 1v5r n VAL 60 Cb 0.46 -1.09 0.00 0.00 -1.47 0.00 0.00 33.84 31.74 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 -0.74 0.50 3.68 7.63 0.00 -1.26 -4.33 105.19 110.66 1v5r n GLY 61 Ca 0.43 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.67 2.15 3.71 -0.02 0.00 -1.26 -4.96 105.19 104.14 1v5r n GLY 62 Ca 0.00 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.20 2.43 -0.28 -0.02 0.00 -1.26 -5.05 107.32 102.94 1v5r s GLY 63 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 44.72 44.54 1v5r s GLY 63 CO 0.00 0.97 0.11 -0.98 0.00 0.00 0.00 173.10 173.19 1v5r s TRP 64 N 0.83 3.13 0.41 1.90 0.52 -1.26 -2.03 118.94 122.45 1v5r s TRP 64 Ca 0.30 -0.55 0.07 0.00 0.02 0.00 0.00 56.10 55.94 1v5r s TRP 64 Cb -0.16 -2.29 -0.06 0.00 -1.15 0.00 0.00 33.47 29.81 1v5r s TRP 64 CO 0.13 -0.42 0.13 -1.83 0.02 0.00 0.00 176.95 174.97 1v5r s GLU 65 N 1.60 2.15 -0.16 4.98 -1.05 -1.21 -4.87 118.70 120.15 1v5r s GLU 65 Ca 0.05 -1.90 -0.29 0.00 -0.15 0.00 0.00 54.97 52.68 1v5r s GLU 65 Cb -0.16 -1.90 -0.02 0.00 -0.44 0.00 0.00 34.13 31.61 1v5r s GLU 65 CO 0.05 -0.08 1.32 0.95 0.95 0.00 0.00 175.26 178.44 1v5r s THR 66 N -2.62 4.18 0.24 1.83 -4.23 -1.26 -1.20 115.64 112.58 1v5r s THR 66 Ca 0.39 1.42 -0.10 0.00 -1.18 0.00 0.00 61.69 62.22 1v5r s THR 66 Cb 0.05 -3.94 0.30 0.00 1.34 0.00 0.00 72.50 70.25 1v5r s THR 66 CO 0.21 -0.15 1.61 0.15 -0.54 0.00 0.00 174.62 175.90 1v5r h PHE 67 N 8.47 -0.30 -0.34 3.99 3.57 -1.63 0.98 116.94 131.69 1v5r h PHE 67 Ca -0.28 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.38 1v5r h PHE 67 Cb 1.11 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 1v5r h PHE 67 CO 0.82 -0.30 0.29 0.00 -2.23 0.00 0.00 178.31 176.88 1v5r h ALA 68 N 1.74 2.17 -0.03 2.41 0.00 -1.91 -1.25 119.26 122.41 1v5r h ALA 68 Ca 0.38 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 1v5r h ALA 68 Cb 0.62 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1v5r h ALA 68 CO -0.75 -0.46 -0.20 0.78 0.00 0.00 0.00 179.25 178.62 1v5r h GLY 69 N 0.00 0.21 2.00 0.00 0.00 0.61 -1.07 103.07 104.82 1v5r h GLY 69 Ca 0.16 -0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 1v5r h GLY 69 CO -0.00 0.27 -0.20 -1.82 0.00 0.00 0.00 176.54 174.79 1v5r h TYR 70 N -0.42 0.00 0.20 5.60 5.03 -0.81 0.06 116.97 126.62 1v5r h TYR 70 Ca -0.02 0.00 -0.33 0.00 2.58 0.00 0.00 58.73 60.97 1v5r h TYR 70 Cb 0.90 0.00 0.02 0.00 1.55 0.00 0.00 36.73 39.19 1v5r h TYR 70 CO 0.15 0.20 -1.52 1.25 -1.32 0.00 0.00 178.16 176.93 1v5r h LEU 71 N 0.00 0.65 -0.21 2.82 5.85 -1.28 -3.26 115.31 119.88 1v5r h LEU 71 Ca -0.00 -0.78 -0.14 0.00 0.84 0.00 0.00 57.88 57.80 1v5r h LEU 71 Cb 0.45 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1v5r h LEU 71 CO 0.03 1.63 -0.43 0.17 -0.34 0.00 0.00 178.44 179.49 1v5r h LEU 72 N 0.11 0.74 -1.33 2.25 8.10 -0.92 0.25 115.31 124.52 1v5r h LEU 72 Ca -0.26 -0.55 0.13 0.00 0.11 0.00 0.00 57.88 57.32 1v5r h LEU 72 Cb 2.10 -0.21 -0.06 0.00 -0.44 0.00 0.00 40.66 42.04 1v5r h LEU 72 CO 0.22 1.15 0.55 0.07 -4.11 0.00 0.00 178.44 176.33 1v5r h LYS 73 N 0.36 0.65 0.00 0.17 2.10 -1.12 -2.96 116.57 115.77 1v5r h LYS 73 Ca 0.01 -0.04 -0.17 0.00 -2.00 0.00 0.00 60.65 58.44 1v5r h LYS 73 Cb 1.03 -0.15 -0.03 0.00 -0.90 0.00 0.00 32.23 32.19 1v5r h LYS 73 CO 0.10 0.43 -0.97 0.45 -2.00 0.00 0.00 179.45 177.46 1v5r h HIS 74 N 0.67 0.00 -2.41 0.07 3.86 -1.59 -3.46 115.15 112.30 1v5r h HIS 74 Ca 0.42 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 59.08 1v5r h HIS 74 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1v5r h HIS 74 CO -0.00 1.31 1.24 0.34 0.86 0.00 0.00 177.93 181.67 1v5r s ASP 75 N -6.66 6.28 0.24 2.45 -1.08 0.88 -4.88 116.67 113.90 1v5r s ASP 75 Ca -0.26 2.25 0.01 0.00 -0.52 0.00 0.00 52.55 54.03 1v5r s ASP 75 Cb 0.04 -2.53 0.28 0.00 -1.46 0.00 0.00 42.92 39.26 1v5r s ASP 75 CO 0.58 -1.25 1.62 1.55 0.52 0.00 0.00 175.17 178.19 1v5r h PRO 76 N 11.32 0.43 0.00 4.34 0.13 -1.88 -2.43 132.00 143.91 1v5r h PRO 76 Ca -0.43 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 1v5r h PRO 76 Cb 1.21 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1v5r h PRO 76 CO 0.96 0.79 0.00 0.00 -0.23 0.00 0.00 178.00 179.52 1v5r h ARG 78 N 0.00 0.32 -0.11 0.00 3.08 -1.78 -3.33 114.38 112.57 1v5r h ARG 78 Ca 0.00 -0.55 0.03 0.00 0.07 0.00 0.00 59.98 59.53 1v5r h ARG 78 Cb 0.53 0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 1v5r h ARG 78 CO 0.00 1.26 0.54 0.52 -1.07 0.00 0.00 179.97 181.22 1v5r h MET 79 N 0.02 0.00 -1.98 0.04 2.86 -1.35 -1.82 114.93 112.69 1v5r h MET 79 Ca -0.37 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.21 1v5r h MET 79 Cb 2.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.65 1v5r h MET 79 CO 0.12 0.00 -0.05 1.28 1.06 0.00 0.00 176.91 179.32 1v5r n LEU 80 N -2.93 5.40 -0.12 1.22 4.77 -1.25 -3.83 117.00 120.26 1v5r n LEU 80 Ca 0.01 -2.63 -0.16 0.00 -0.03 0.00 0.00 56.01 53.20 1v5r n LEU 80 Cb 0.61 -1.19 -0.11 0.00 -2.33 0.00 0.00 43.42 40.40 1v5r n LEU 80 CO 0.13 1.17 -1.27 0.00 -1.33 0.00 0.00 177.39 176.09 1v5r n GLN 81 N 1.64 0.60 -3.73 3.23 6.02 -0.69 -5.03 117.38 119.42 1v5r n GLN 81 Ca 0.11 0.13 -0.14 0.00 -0.01 0.00 0.00 57.00 57.10 1v5r n GLN 81 Cb 0.59 -1.47 -0.09 0.00 1.02 0.00 0.00 30.24 30.29 1v5r n GLN 81 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1v5r s ILE 82 N -2.47 0.02 -0.25 5.09 1.01 -1.25 -5.11 121.20 118.24 1v5r s ILE 82 Ca -0.31 -0.18 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 1v5r s ILE 82 Cb 0.08 -0.61 -0.13 0.00 0.01 0.00 0.00 42.46 41.81 1v5r s ILE 82 CO 0.55 -0.10 0.95 -1.54 0.00 0.00 0.00 174.94 174.80 1v5r n SER 83 N 2.13 0.61 -4.70 3.58 3.41 -1.26 -4.73 113.62 112.66 1v5r n SER 83 Ca -0.17 0.76 -0.42 0.00 -0.26 0.00 0.00 58.87 58.78 1v5r n SER 83 Cb 0.57 -0.57 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1v5r n SER 83 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1v5r s ARG 84 N 1.52 4.13 -0.25 4.33 0.52 -1.26 -4.90 118.95 123.04 1v5r s ARG 84 Ca 0.65 2.60 -0.08 0.00 -0.52 0.00 0.00 55.73 58.38 1v5r s ARG 84 Cb -0.93 -3.45 -0.16 0.00 0.52 0.00 0.00 34.95 30.93 1v5r s ARG 84 CO 0.49 -0.82 -0.16 0.28 0.02 0.00 0.00 175.30 175.11 1v5r n VAL 85 N 4.53 1.55 -0.73 3.52 0.31 -1.26 -4.99 118.33 121.25 1v5r n VAL 85 Ca 0.17 -0.44 -0.28 0.00 -0.01 0.00 0.00 64.34 63.78 1v5r n VAL 85 Cb 0.37 -1.71 0.12 0.00 -0.91 0.00 0.00 33.84 31.71 1v5r n VAL 85 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1v5r n ASP 86 N -3.82 -2.68 0.00 4.52 5.75 -1.26 -5.03 116.55 114.03 1v5r n ASP 86 Ca -0.46 -0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.16 1v5r n ASP 86 Cb 0.92 -0.75 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1v5r n ASP 86 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1v5r n GLY 87 N 2.60 0.54 2.65 6.12 0.00 -1.26 -5.06 105.19 110.77 1v5r n GLY 87 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1v5r n GLY 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1v5r s LYS 88 N 3.00 1.01 -0.26 1.61 2.47 -1.26 -5.06 119.74 121.26 1v5r s LYS 88 Ca 0.00 -1.70 -0.01 0.00 -1.56 0.00 0.00 55.97 52.69 1v5r s LYS 88 Cb 0.00 -2.01 0.13 0.00 -1.46 0.00 0.00 37.83 34.50 1v5r s LYS 88 CO 0.00 -1.15 0.34 0.99 0.16 0.00 0.00 175.35 175.69 1v5r s THR 89 N 0.71 -0.53 -0.01 3.43 2.01 -1.26 -5.14 115.64 114.85 1v5r s THR 89 Ca 0.17 -0.21 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1v5r s THR 89 Cb -0.23 -0.86 0.01 0.00 0.01 0.00 0.00 72.50 71.42 1v5r s THR 89 CO -0.03 -0.24 -0.01 -0.44 -0.69 0.00 0.00 174.62 173.22 1v5r s SER 90 N 2.48 0.23 -0.05 3.53 0.01 -1.26 -5.13 113.70 113.51 1v5r s SER 90 Ca 0.11 -0.02 -0.30 0.00 1.31 0.00 0.00 55.95 57.05 1v5r s SER 90 Cb -0.15 -0.07 -0.05 0.00 0.21 0.00 0.00 66.02 65.96 1v5r s SER 90 CO -0.22 -0.03 1.49 -2.16 0.41 0.00 0.00 173.24 172.73 1v5r s PRO 91 N 0.36 4.23 1.01 12.44 0.04 -1.26 -4.99 135.00 146.82 1v5r s PRO 91 Ca -0.03 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.91 1v5r s PRO 91 Cb -0.05 -3.77 0.19 0.00 0.04 0.00 0.00 34.50 30.90 1v5r s PRO 91 CO -0.01 -0.72 1.04 -1.13 0.04 0.00 0.00 177.00 176.22 1v5r n SER 92 N 6.30 -0.52 -2.80 6.66 3.41 -1.26 -5.03 113.62 120.38 1v5r n SER 92 Ca 0.15 0.22 0.01 0.00 -0.26 0.00 0.00 58.87 58.99 1v5r n SER 92 Cb 0.43 -1.38 0.01 0.00 -0.26 0.00 0.00 64.21 63.01 1v5r n SER 92 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1v5r s GLY 93 N -2.51 -1.55 -0.12 5.00 0.00 -1.26 -5.13 107.32 101.75 1v5r s GLY 93 Ca 0.67 1.12 -0.29 0.00 0.00 0.00 0.00 44.72 46.22 1v5r s GLY 93 CO 0.61 4.25 1.54 2.56 0.00 0.00 0.00 173.10 182.06 1v5r s PRO 94 N 1.87 4.10 -0.24 2.90 0.04 -1.26 -4.98 135.00 137.43 1v5r s PRO 94 Ca 0.15 1.92 -0.05 0.00 0.04 0.00 0.00 61.00 63.07 1v5r s PRO 94 Cb 0.03 -3.94 0.13 0.00 0.04 0.00 0.00 34.50 30.76 1v5r s PRO 94 CO -0.14 -0.92 0.46 -1.54 0.04 0.00 0.00 177.00 174.90 1v5r s SER 95 N 3.20 -0.36 0.00 6.66 1.04 -1.26 -5.03 113.70 117.96 1v5r s SER 95 Ca 0.68 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.85 1v5r s SER 95 Cb -0.28 1.51 0.00 0.00 0.10 0.00 0.00 66.02 67.34 1v5r s SER 95 CO 0.26 -0.26 0.00 -1.54 0.98 0.00 0.00 173.24 172.67 1v5r n SER 96 N 5.39 1.88 0.00 7.02 3.41 -1.26 -5.35 113.62 124.72 1v5r n SER 96 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1v5r n SER 96 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1v5r n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49