#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 6.77 -0.25 1.61 0.01 -1.26 -4.98 113.70 115.60 1v5r s SER 2 Ca 0.00 0.92 -0.16 0.00 1.31 0.00 0.00 55.95 58.03 1v5r s SER 2 Cb 0.00 -2.31 -0.13 0.00 0.21 0.00 0.00 66.02 63.79 1v5r s SER 2 CO 0.00 0.01 -0.25 -1.20 0.41 0.00 0.00 173.24 172.21 1v5r n SER 3 N 3.50 1.93 -0.36 2.44 7.64 -1.26 -5.08 113.62 122.44 1v5r n SER 3 Ca -0.06 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1v5r n SER 3 Cb 0.52 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 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 0.61 3.01 0.23 0.00 -1.26 -5.13 105.19 103.96 1v5r n GLY 4 Ca -0.46 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.04 0.63 1.22 1.61 1.04 -1.26 -5.15 113.70 109.75 1v5r s SER 5 Ca 0.00 -0.37 -0.18 0.00 0.48 0.00 0.00 55.95 55.89 1v5r s SER 5 Cb 0.00 0.01 0.25 0.00 0.10 0.00 0.00 66.02 66.38 1v5r s SER 5 CO 0.00 -0.12 0.55 -0.24 0.98 0.00 0.00 173.24 174.40 1v5r n SER 6 N 2.05 -3.06 -4.58 7.02 2.88 -1.26 -4.75 113.62 111.92 1v5r n SER 6 Ca -0.19 -0.46 -0.41 0.00 -1.33 0.00 0.00 58.87 56.48 1v5r n SER 6 Cb 0.56 -0.96 -0.03 0.00 -0.75 0.00 0.00 64.21 63.03 1v5r n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v5r s GLY 7 N -2.36 0.23 0.29 0.46 0.00 -1.26 -4.93 107.32 99.75 1v5r s GLY 7 Ca 0.56 0.49 -0.29 0.00 0.00 0.00 0.00 44.72 45.47 1v5r s GLY 7 CO 0.53 3.87 1.16 -1.31 0.00 0.00 0.00 173.10 177.35 1v5r s ASN 8 N 9.36 7.13 0.08 1.64 -0.87 -1.26 -4.92 114.94 126.09 1v5r s ASN 8 Ca 0.98 2.38 -0.31 0.00 -1.57 0.00 0.00 52.86 54.34 1v5r s ASN 8 Cb -0.27 -2.63 -0.16 0.00 -0.02 0.00 0.00 41.25 38.17 1v5r s ASN 8 CO 0.32 -0.26 1.63 -0.07 -2.57 0.00 0.00 177.10 176.16 1v5r h LEU 9 N 3.75 -0.74 0.01 0.60 4.07 -1.99 0.22 115.31 121.23 1v5r h LEU 9 Ca -0.47 0.04 0.03 0.00 0.08 0.00 0.00 57.88 57.56 1v5r h LEU 9 Cb 1.22 0.22 -0.04 0.00 1.08 0.00 0.00 40.66 43.13 1v5r h LEU 9 CO 0.67 -0.47 -0.24 0.25 -1.08 0.00 0.00 178.44 177.56 1v5r h LEU 10 N -0.74 -0.72 -0.71 1.67 5.85 -1.99 -0.80 115.31 117.86 1v5r h LEU 10 Ca -0.06 0.10 0.07 0.00 0.84 0.00 0.00 57.88 58.83 1v5r h LEU 10 Cb 0.61 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 1v5r h LEU 10 CO 0.06 -0.32 0.40 -0.78 -0.34 0.00 0.00 178.44 177.46 1v5r h ASP 11 N -0.39 0.59 -0.24 1.25 3.58 -1.94 0.81 116.42 120.08 1v5r h ASP 11 Ca 0.06 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.58 1v5r h ASP 11 Cb 0.47 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 1v5r h ASP 11 CO -0.21 0.37 0.04 0.44 -2.88 0.00 0.00 179.24 177.00 1v5r h ASP 12 N 0.72 0.00 0.12 2.28 5.19 0.08 0.74 116.42 125.55 1v5r h ASP 12 Ca 0.33 0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.77 1v5r h ASP 12 Cb 0.23 0.05 0.00 0.00 0.18 0.00 0.00 39.33 39.79 1v5r h ASP 12 CO -0.20 0.03 -0.06 0.00 -3.12 0.00 0.00 179.24 175.90 1v5r h ALA 13 N 1.18 -0.16 -0.42 3.45 0.00 -0.60 -2.31 119.26 120.40 1v5r h ALA 13 Ca 0.11 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1v5r h ALA 13 Cb 0.11 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1v5r h ALA 13 CO -0.15 -0.46 -0.01 0.28 0.00 0.00 0.00 179.25 178.90 1v5r h VAL 14 N -0.41 0.67 -0.23 0.00 2.07 -0.69 0.17 116.25 117.83 1v5r h VAL 14 Ca -0.02 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1v5r h VAL 14 Cb 0.34 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1v5r h VAL 14 CO 0.03 0.02 -0.02 0.50 0.02 0.00 0.00 177.57 178.12 1v5r h LYS 15 N 0.10 0.05 0.60 1.57 3.64 -0.83 -0.88 116.57 120.81 1v5r h LYS 15 Ca 0.21 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1v5r h LYS 15 Cb 0.30 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1v5r h LYS 15 CO -0.35 0.03 -0.31 0.00 -2.27 0.00 0.00 179.45 176.55 1v5r h ARG 16 N 0.05 -0.81 -0.80 1.90 3.08 -0.80 -1.26 114.38 115.75 1v5r h ARG 16 Ca 0.11 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.37 1v5r h ARG 16 Cb 0.15 0.18 -0.15 0.00 0.08 0.00 0.00 29.97 30.23 1v5r h ARG 16 CO -0.20 -0.54 -0.26 0.82 -1.07 0.00 0.00 179.97 178.73 1v5r h ILE 17 N -0.84 0.15 -0.73 2.04 2.04 -0.93 0.75 117.51 119.99 1v5r h ILE 17 Ca -0.08 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1v5r h ILE 17 Cb 0.65 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1v5r h ILE 17 CO 0.12 0.00 0.48 0.77 0.00 0.00 0.00 178.15 179.51 1v5r h SER 18 N -0.03 0.68 -0.88 1.72 4.64 -1.07 -0.99 113.55 117.61 1v5r h SER 18 Ca 0.36 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.20 1v5r h SER 18 Cb 0.59 -0.14 -0.27 0.00 -0.31 0.00 0.00 62.40 62.26 1v5r h SER 18 CO -0.83 0.44 0.53 -0.62 -0.87 0.00 0.00 176.83 175.48 1v5r n GLU 19 N -4.48 2.26 -3.15 4.77 1.02 0.23 -4.52 120.64 116.76 1v5r n GLU 19 Ca 0.10 -3.10 0.05 0.00 -0.02 0.00 0.00 57.16 54.19 1v5r n GLU 19 Cb 0.21 -2.13 -0.01 0.00 -0.02 0.00 0.00 31.44 29.49 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 -1.64 -0.57 0.44 1.62 2.15 0.59 -3.79 116.67 115.48 1v5r s ASP 20 Ca 0.56 0.20 -0.24 0.00 0.43 0.00 0.00 52.55 53.50 1v5r s ASP 20 Cb 0.47 1.42 -0.08 0.00 -0.30 0.00 0.00 42.92 44.43 1v5r s ASP 20 CO 0.07 -0.11 1.17 -2.16 -0.17 0.00 0.00 175.17 173.98 1v5r s PRO 21 N 2.94 3.86 0.10 4.34 0.04 -1.26 -4.43 135.00 140.60 1v5r s PRO 21 Ca 0.13 1.81 -0.31 0.00 0.04 0.00 0.00 61.00 62.67 1v5r s PRO 21 Cb -0.07 -2.51 -0.07 0.00 0.04 0.00 0.00 34.50 31.89 1v5r s PRO 21 CO -0.18 -0.48 1.37 -1.25 0.04 0.00 0.00 177.00 176.51 1v5r s PRO 22 N -2.55 4.33 -0.11 0.56 0.04 -1.25 -4.91 135.00 131.12 1v5r s PRO 22 Ca 0.61 2.03 -0.37 0.00 0.04 0.00 0.00 61.00 63.32 1v5r s PRO 22 Cb -0.30 -3.29 -0.14 0.00 0.04 0.00 0.00 34.50 30.81 1v5r s PRO 22 CO 0.37 -0.43 1.70 0.00 0.04 0.00 0.00 177.00 178.67 1v5r h LYS 24 N 7.26 0.22 -5.05 0.00 1.79 -1.91 -3.46 116.57 115.41 1v5r h LYS 24 Ca -0.47 -0.16 -0.49 0.00 -2.18 0.00 0.00 60.65 57.35 1v5r h LYS 24 Cb 1.30 0.02 0.16 0.00 -1.58 0.00 0.00 32.23 32.14 1v5r h LYS 24 CO 0.92 0.77 -1.13 0.00 -1.08 0.00 0.00 179.45 178.93 1v5r n PRO 26 N 1.49 0.49 -3.82 0.00 -0.04 -1.26 -4.47 135.00 127.38 1v5r n PRO 26 Ca 0.05 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.23 1v5r n PRO 26 Cb 0.42 -1.45 -0.17 0.00 -0.04 0.00 0.00 33.50 32.26 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 0.79 0.36 0.52 2.01 -1.26 -5.12 115.64 110.94 1v5r s THR 27 Ca 0.21 -0.48 -0.27 0.00 0.31 0.00 0.00 61.69 61.45 1v5r s THR 27 Cb 0.10 -1.08 -0.10 0.00 0.01 0.00 0.00 72.50 71.43 1v5r s THR 27 CO 0.16 0.04 1.30 -0.75 -0.69 0.00 0.00 174.62 174.67 1v5r s LYS 28 N 1.76 4.18 0.94 4.92 2.47 -1.26 -4.98 119.74 127.78 1v5r s LYS 28 Ca 0.01 2.17 -0.11 0.00 -1.56 0.00 0.00 55.97 56.47 1v5r s LYS 28 Cb -0.15 -2.92 0.10 0.00 -1.46 0.00 0.00 37.83 33.39 1v5r s LYS 28 CO -0.07 -0.32 0.78 0.34 0.16 0.00 0.00 175.35 176.24 1v5r n PHE 29 N 0.49 -0.30 -2.87 4.03 7.35 -1.26 -4.91 117.46 119.98 1v5r n PHE 29 Ca 0.02 0.31 -0.43 0.00 -0.76 0.00 0.00 57.45 56.59 1v5r n PHE 29 Cb 0.43 -1.89 -0.04 0.00 0.35 0.00 0.00 39.48 38.33 1v5r n PHE 29 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1v5r s VAL 31 N 3.73 0.02 -0.01 0.00 1.01 -1.18 -0.76 120.40 123.22 1v5r s VAL 31 Ca 0.30 -0.44 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1v5r s VAL 31 Cb -0.12 -0.79 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1v5r s VAL 31 CO 0.20 -0.43 -0.15 -0.70 0.00 0.00 0.00 175.10 174.03 1v5r s GLU 32 N 2.08 1.17 -0.16 2.72 -6.30 -1.18 -4.91 118.70 112.12 1v5r s GLU 32 Ca 0.04 -0.55 -0.25 0.00 -2.50 0.00 0.00 54.97 51.71 1v5r s GLU 32 Cb -0.16 -1.14 -0.02 0.00 0.00 0.00 0.00 34.13 32.82 1v5r s GLU 32 CO -0.18 0.31 0.83 0.50 0.02 0.00 0.00 175.26 176.73 1v5r s ARG 33 N -0.44 4.32 -0.20 4.30 3.52 -1.26 -0.25 118.95 128.94 1v5r s ARG 33 Ca 0.05 1.02 -0.09 0.00 -0.13 0.00 0.00 55.73 56.58 1v5r s ARG 33 Cb -0.06 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.68 1v5r s ARG 33 CO -0.00 -0.29 -0.25 1.28 -0.81 0.00 0.00 175.30 175.23 1v5r n LEU 34 N 5.08 1.51 -3.53 -0.88 4.77 -0.62 -4.92 117.00 118.40 1v5r n LEU 34 Ca 0.04 0.22 -0.12 0.00 -0.03 0.00 0.00 56.01 56.12 1v5r n LEU 34 Cb 0.49 -0.59 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1v5r n LEU 34 CO 0.48 0.44 0.64 -0.55 -1.33 0.00 0.00 177.39 177.07 1v5r s SER 35 N -6.74 -0.46 -0.39 -1.43 0.15 -1.14 -4.97 113.70 98.73 1v5r s SER 35 Ca -0.28 0.34 -0.32 0.00 0.70 0.00 0.00 55.95 56.39 1v5r s SER 35 Cb 0.11 0.41 -0.14 0.00 -1.71 0.00 0.00 66.02 64.68 1v5r s SER 35 CO 0.36 -0.54 1.59 0.00 1.20 0.00 0.00 173.24 175.86 1v5r n GLN 36 N 0.42 0.00 -1.50 5.44 1.13 -1.26 0.24 117.38 121.85 1v5r n GLN 36 Ca -0.13 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 1v5r n GLN 36 Cb 0.59 -1.10 0.00 0.00 0.11 0.00 0.00 30.24 29.84 1v5r n GLN 36 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1v5r n GLY 37 N 5.48 0.49 2.94 1.08 0.00 -1.26 -5.03 105.19 108.89 1v5r n GLY 37 Ca 0.41 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.06 0.10 -0.05 1.61 3.52 0.67 -2.64 118.95 119.10 1v5r s ARG 38 Ca 0.00 0.55 -0.08 0.00 -0.13 0.00 0.00 55.73 56.07 1v5r s ARG 38 Cb 0.00 -0.17 0.02 0.00 -1.56 0.00 0.00 34.95 33.24 1v5r s ARG 38 CO 0.00 -0.24 0.20 0.71 -0.81 0.00 0.00 175.30 175.16 1v5r s TYR 39 N 1.85 -0.15 -0.80 5.12 1.51 -1.11 -1.59 117.35 122.18 1v5r s TYR 39 Ca -0.03 0.33 -0.24 0.00 -1.01 0.00 0.00 57.07 56.12 1v5r s TYR 39 Cb -0.12 0.04 0.05 0.00 -0.11 0.00 0.00 41.96 41.83 1v5r s TYR 39 CO -0.07 -0.20 1.22 0.50 -1.11 0.00 0.00 175.55 175.90 1v5r s ARG 40 N -0.50 3.30 -0.38 -0.62 3.52 0.65 -3.13 118.95 121.78 1v5r s ARG 40 Ca -0.06 -0.73 -0.20 0.00 -0.13 0.00 0.00 55.73 54.62 1v5r s ARG 40 Cb -0.04 -4.52 0.01 0.00 -1.56 0.00 0.00 34.95 28.84 1v5r s ARG 40 CO 0.01 -2.04 0.59 0.08 -0.81 0.00 0.00 175.30 173.12 1v5r s VAL 41 N 4.86 4.92 0.00 7.11 1.01 -0.52 -3.10 120.40 134.68 1v5r s VAL 41 Ca 0.34 0.30 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1v5r s VAL 41 Cb -0.08 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1v5r s VAL 41 CO 0.06 -0.38 0.00 0.61 0.00 0.00 0.00 175.10 175.39 1v5r n GLY 42 N 4.85 1.22 0.53 4.51 0.00 0.06 -1.67 105.19 114.69 1v5r n GLY 42 Ca -0.03 0.33 0.07 0.00 0.00 0.00 0.00 46.02 46.39 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 0.00 1.15 -3.95 1.61 2.13 -1.26 -4.69 120.64 115.62 1v5r n GLU 43 Ca 0.00 -2.70 -0.08 0.00 0.66 0.00 0.00 57.16 55.04 1v5r n GLU 43 Cb 0.00 -1.28 -0.09 0.00 0.27 0.00 0.00 31.44 30.34 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 -2.43 0.69 -0.27 5.31 1.02 -0.67 -5.14 119.74 118.25 1v5r s LYS 44 Ca 0.32 -0.98 -0.07 0.00 0.02 0.00 0.00 55.97 55.26 1v5r s LYS 44 Cb 0.31 0.27 -0.01 0.00 -0.52 0.00 0.00 37.83 37.88 1v5r s LYS 44 CO -0.04 -0.18 0.07 0.42 -0.92 0.00 0.00 175.35 174.70 1v5r s ILE 45 N -3.50 4.10 0.33 2.17 -1.09 -1.26 -1.44 121.20 120.51 1v5r s ILE 45 Ca 0.03 -0.43 0.09 0.00 -2.23 0.00 0.00 60.65 58.11 1v5r s ILE 45 Cb 0.04 -3.01 -0.06 0.00 -1.58 0.00 0.00 42.46 37.85 1v5r s ILE 45 CO -0.09 0.22 -0.10 -0.76 -1.23 0.00 0.00 174.94 172.99 1v5r s LEU 46 N 1.56 2.68 -0.47 2.97 1.43 -1.18 -5.01 118.68 120.65 1v5r s LEU 46 Ca 0.05 -1.18 -0.09 0.00 -1.03 0.00 0.00 54.13 51.88 1v5r s LEU 46 Cb -0.16 -0.94 0.12 0.00 0.03 0.00 0.00 46.19 45.24 1v5r s LEU 46 CO 0.03 -0.21 0.34 -0.36 0.23 0.00 0.00 176.35 176.38 1v5r s PHE 47 N -2.68 3.45 -0.22 0.29 0.40 -1.26 -2.77 117.98 115.19 1v5r s PHE 47 Ca 0.32 -1.94 -0.26 0.00 -0.60 0.00 0.00 56.93 54.45 1v5r s PHE 47 Cb 0.02 -3.48 -0.00 0.00 0.51 0.00 0.00 43.02 40.07 1v5r s PHE 47 CO 0.15 -0.99 0.88 0.42 0.70 0.00 0.00 175.22 176.38 1v5r s ILE 48 N 1.30 4.81 0.38 0.64 1.01 -1.08 -0.89 121.20 127.37 1v5r s ILE 48 Ca 0.06 1.69 0.08 0.00 0.00 0.00 0.00 60.65 62.48 1v5r s ILE 48 Cb -0.26 -4.17 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 1v5r s ILE 48 CO -0.01 -0.07 0.12 -0.13 0.00 0.00 0.00 174.94 174.85 1v5r s ARG 49 N 2.75 2.20 -0.12 2.79 0.52 0.97 -4.25 118.95 123.81 1v5r s ARG 49 Ca 0.38 -1.78 -0.00 0.00 -0.52 0.00 0.00 55.73 53.81 1v5r s ARG 49 Cb -0.16 -1.99 0.02 0.00 0.52 0.00 0.00 34.95 33.35 1v5r s ARG 49 CO 0.08 -0.00 -0.09 1.41 0.02 0.00 0.00 175.30 176.72 1v5r s MET 50 N -3.83 1.63 -0.40 3.54 1.75 -1.26 -1.20 119.30 119.53 1v5r s MET 50 Ca 0.38 -0.30 -0.26 0.00 -1.25 0.00 0.00 55.69 54.27 1v5r s MET 50 Cb 0.02 -1.65 0.02 0.00 2.84 0.00 0.00 34.83 36.06 1v5r s MET 50 CO 0.22 -0.26 0.94 -0.51 -0.65 0.00 0.00 175.02 174.76 1v5r s LEU 51 N 1.65 3.97 -1.40 4.11 1.43 0.16 -3.95 118.68 124.66 1v5r s LEU 51 Ca 0.05 0.48 -0.11 0.00 -1.03 0.00 0.00 54.13 53.51 1v5r s LEU 51 Cb -0.13 -3.27 0.08 0.00 0.03 0.00 0.00 46.19 42.90 1v5r s LEU 51 CO -0.08 -0.93 0.63 1.41 0.23 0.00 0.00 176.35 177.60 1v5r n HIS 52 N 6.94 -1.89 -3.39 0.29 8.25 -1.26 -0.63 115.22 123.53 1v5r n HIS 52 Ca 0.07 0.59 -0.21 0.00 -0.26 0.00 0.00 57.72 57.91 1v5r n HIS 52 Cb 0.48 -3.24 -0.02 0.00 1.12 0.00 0.00 29.99 28.33 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 -2.45 -2.47 0.00 0.41 3.02 -1.25 -4.67 115.26 107.84 1v5r n ASN 53 Ca 0.00 -0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.22 1v5r n ASN 53 Cb 0.54 -2.12 0.00 0.00 -0.61 0.00 0.00 39.78 37.59 1v5r n ASN 53 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1v5r n LYS 54 N -3.43 0.85 -5.07 3.52 5.02 0.19 -5.07 118.16 114.18 1v5r n LYS 54 Ca 0.02 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.99 1v5r n LYS 54 Cb 0.51 -0.75 -0.14 0.00 -0.02 0.00 0.00 35.03 34.63 1v5r n LYS 54 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1v5r s HIS 55 N -1.49 2.51 -0.29 2.13 3.76 -0.66 -4.96 115.29 116.28 1v5r s HIS 55 Ca 0.00 -0.30 -0.04 0.00 -0.15 0.00 0.00 55.06 54.56 1v5r s HIS 55 Cb 0.00 -1.55 0.03 0.00 1.11 0.00 0.00 32.58 32.17 1v5r s HIS 55 CO 0.00 0.09 0.03 0.08 -0.85 0.00 0.00 174.74 174.09 1v5r s VAL 56 N -0.69 3.44 0.34 -0.90 1.01 -1.26 0.40 120.40 122.74 1v5r s VAL 56 Ca 0.11 -1.02 0.09 0.00 0.00 0.00 0.00 61.98 61.15 1v5r s VAL 56 Cb -0.10 -2.85 -0.07 0.00 0.00 0.00 0.00 36.38 33.36 1v5r s VAL 56 CO 0.00 0.01 -0.08 -0.04 0.00 0.00 0.00 175.10 175.00 1v5r s MET 57 N 1.38 1.80 0.16 2.72 -1.94 -0.34 -1.65 119.30 121.42 1v5r s MET 57 Ca -0.01 -1.94 0.07 0.00 -1.71 0.00 0.00 55.69 52.11 1v5r s MET 57 Cb -0.18 -1.61 -0.04 0.00 2.01 0.00 0.00 34.83 35.01 1v5r s MET 57 CO 0.00 0.10 -0.15 0.14 -0.01 0.00 0.00 175.02 175.10 1v5r s VAL 58 N -2.69 1.61 -0.39 -6.03 -7.23 -0.34 -0.02 120.40 105.31 1v5r s VAL 58 Ca 0.32 -1.96 -0.19 0.00 -1.81 0.00 0.00 61.98 58.35 1v5r s VAL 58 Cb 0.04 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 35.18 1v5r s VAL 58 CO 0.16 -0.46 0.55 -0.60 -0.31 0.00 0.00 175.10 174.44 1v5r s ARG 59 N -3.07 3.41 0.38 4.82 3.00 -0.07 -3.15 118.95 124.26 1v5r s ARG 59 Ca 0.16 -0.33 0.03 0.00 -1.00 0.00 0.00 55.73 54.59 1v5r s ARG 59 Cb -0.03 -3.89 0.03 0.00 0.00 0.00 0.00 34.95 31.07 1v5r s ARG 59 CO 0.05 -0.81 0.29 1.33 0.00 0.00 0.00 175.30 176.16 1v5r n VAL 60 N 5.58 0.00 -1.53 7.11 0.24 -0.76 -4.10 118.33 124.87 1v5r n VAL 60 Ca -0.04 -1.49 -0.28 0.00 -2.04 0.00 0.00 64.34 60.49 1v5r n VAL 60 Cb 0.48 -0.18 -0.06 0.00 -1.47 0.00 0.00 33.84 32.61 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 0.45 4.38 0.00 7.63 0.00 -1.26 -4.00 105.19 112.38 1v5r n GLY 61 Ca -0.01 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1v5r n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v5r n GLY 62 N 1.18 0.00 0.00 -0.02 0.00 -1.26 -4.90 105.19 100.19 1v5r n GLY 62 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 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 0.69 2.98 -0.02 0.00 -1.26 -5.09 105.19 102.50 1v5r n GLY 63 Ca 0.00 -2.11 -0.16 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.23 0.55 0.42 1.61 0.52 -1.26 -1.83 118.94 117.72 1v5r s TRP 64 Ca 0.00 -0.13 0.03 0.00 0.02 0.00 0.00 56.10 56.02 1v5r s TRP 64 Cb 0.00 -0.35 -0.03 0.00 -1.15 0.00 0.00 33.47 31.94 1v5r s TRP 64 CO 0.00 -0.01 0.08 -1.83 0.02 0.00 0.00 176.95 175.21 1v5r s GLU 65 N -0.25 1.95 -0.18 4.98 -1.05 -1.19 -4.90 118.70 118.07 1v5r s GLU 65 Ca 0.01 -2.19 -0.29 0.00 -0.15 0.00 0.00 54.97 52.35 1v5r s GLU 65 Cb -0.03 -0.94 -0.00 0.00 -0.44 0.00 0.00 34.13 32.72 1v5r s GLU 65 CO -0.00 -0.38 1.07 0.95 0.95 0.00 0.00 175.26 177.85 1v5r s THR 66 N -3.11 4.63 0.23 1.83 -4.23 -1.26 -1.20 115.64 112.52 1v5r s THR 66 Ca 0.22 1.94 -0.17 0.00 -1.18 0.00 0.00 61.69 62.51 1v5r s THR 66 Cb 0.04 -4.25 0.25 0.00 1.34 0.00 0.00 72.50 69.87 1v5r s THR 66 CO 0.12 -0.12 1.56 0.15 -0.54 0.00 0.00 174.62 175.80 1v5r h PHE 67 N 7.46 -0.95 -0.19 3.99 3.57 -1.60 1.48 116.94 130.70 1v5r h PHE 67 Ca -0.24 0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.41 1v5r h PHE 67 Cb 1.09 0.55 -0.01 0.00 2.79 0.00 0.00 35.95 40.38 1v5r h PHE 67 CO 0.75 -0.40 0.14 0.00 -2.23 0.00 0.00 178.31 176.57 1v5r h ALA 68 N 1.39 2.12 0.13 2.41 0.00 -1.92 -1.50 119.26 121.90 1v5r h ALA 68 Ca 0.34 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.95 1v5r h ALA 68 Cb 0.60 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.43 1v5r h ALA 68 CO -0.92 -0.24 -1.25 0.78 0.00 0.00 0.00 179.25 177.62 1v5r h GLY 69 N 0.00 0.56 1.77 0.00 0.00 0.15 -2.88 103.07 102.68 1v5r h GLY 69 Ca 0.09 -1.24 -0.10 0.00 0.00 0.00 0.00 47.33 46.08 1v5r h GLY 69 CO -0.00 1.09 -0.37 -1.82 0.00 0.00 0.00 176.54 175.44 1v5r h TYR 70 N 0.20 0.30 -0.01 5.60 5.03 0.04 -2.82 116.97 125.31 1v5r h TYR 70 Ca -0.17 -0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.06 1v5r h TYR 70 Cb 1.93 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 40.14 1v5r h TYR 70 CO 0.10 0.60 -0.02 1.25 -1.32 0.00 0.00 178.16 178.77 1v5r h LEU 71 N 0.22 0.03 -1.28 2.82 5.85 -1.37 -3.19 115.31 118.38 1v5r h LEU 71 Ca 0.02 -0.57 0.15 0.00 0.84 0.00 0.00 57.88 58.33 1v5r h LEU 71 Cb 0.76 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 1v5r h LEU 71 CO 0.06 0.60 0.58 0.17 -0.34 0.00 0.00 178.44 179.50 1v5r h LEU 72 N -0.54 0.64 0.20 2.25 8.10 -1.48 0.18 115.31 124.67 1v5r h LEU 72 Ca 0.00 0.04 0.01 0.00 0.11 0.00 0.00 57.88 58.05 1v5r h LEU 72 Cb 0.59 -0.08 -0.04 0.00 -0.44 0.00 0.00 40.66 40.69 1v5r h LEU 72 CO 0.00 0.31 -0.41 0.11 -4.11 0.00 0.00 178.44 174.34 1v5r h LYS 73 N 0.67 -0.68 0.25 0.17 1.57 -1.49 -3.21 116.57 113.87 1v5r h LYS 73 Ca 0.46 0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.27 1v5r h LYS 73 Cb 0.77 0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1v5r h LYS 73 CO -0.22 -0.45 -0.12 0.45 -0.57 0.00 0.00 179.45 178.54 1v5r h HIS 74 N -0.70 -0.31 -2.00 -1.35 3.86 -1.44 -3.43 115.15 109.77 1v5r h HIS 74 Ca 0.00 -0.01 -0.59 0.00 -1.16 0.00 0.00 60.37 58.62 1v5r h HIS 74 Cb 0.69 0.10 0.01 0.00 1.06 0.00 0.00 27.41 29.28 1v5r h HIS 74 CO -0.32 0.06 1.29 -3.47 0.86 0.00 0.00 177.93 176.34 1v5r n ASP 75 N -5.03 3.47 -0.05 2.45 -0.08 0.58 -4.88 116.55 113.01 1v5r n ASP 75 Ca -0.08 0.68 -0.13 0.00 -1.51 0.00 0.00 54.79 53.74 1v5r n ASP 75 Cb 0.26 -1.46 -0.07 0.00 2.34 0.00 0.00 41.12 42.19 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 11.60 0.31 -0.07 -0.67 0.13 -1.84 -2.63 132.00 138.83 1v5r h PRO 76 Ca -0.45 -0.16 0.02 0.00 -0.87 0.00 0.00 66.00 64.54 1v5r h PRO 76 Cb 1.26 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1v5r h PRO 76 CO 0.96 0.71 0.13 0.00 -0.23 0.00 0.00 178.00 179.56 1v5r h ARG 78 N 0.00 0.33 -1.76 0.00 3.08 -1.81 -3.31 114.38 110.91 1v5r h ARG 78 Ca 0.03 -0.57 0.51 0.00 0.07 0.00 0.00 59.98 60.03 1v5r h ARG 78 Cb 0.29 0.21 -0.08 0.00 0.08 0.00 0.00 29.97 30.48 1v5r h ARG 78 CO -0.00 1.27 1.26 1.98 -1.07 0.00 0.00 179.97 183.41 1v5r h MET 79 N -0.20 0.01 -0.36 0.04 4.05 -0.92 0.18 114.93 117.73 1v5r h MET 79 Ca -0.25 -0.00 0.06 0.00 -0.28 0.00 0.00 59.70 59.23 1v5r h MET 79 Cb 1.84 -0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 32.55 1v5r h MET 79 CO 0.14 0.00 -0.47 -0.07 0.23 0.00 0.00 176.91 176.75 1v5r h LEU 80 N 0.01 -1.54 -9.61 3.39 4.07 -1.65 -3.42 115.31 106.55 1v5r h LEU 80 Ca 0.85 0.22 -0.58 0.00 0.08 0.00 0.00 57.88 58.45 1v5r h LEU 80 Cb 3.36 0.65 0.17 0.00 1.08 0.00 0.00 40.66 45.93 1v5r h LEU 80 CO -0.04 -0.39 -0.26 0.00 -1.08 0.00 0.00 178.44 176.67 1v5r n GLN 81 N -5.41 0.57 -1.50 1.13 10.64 0.05 -4.73 117.38 118.13 1v5r n GLN 81 Ca -0.02 0.23 -0.46 0.00 -1.83 0.00 0.00 57.00 54.91 1v5r n GLN 81 Cb 0.35 -1.84 -0.06 0.00 -0.86 0.00 0.00 30.24 27.83 1v5r n GLN 81 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 1v5r n ILE 82 N -1.81 0.18 -4.20 -0.39 2.08 -1.26 -4.92 119.36 109.03 1v5r n ILE 82 Ca 0.12 -0.37 -0.12 0.00 0.56 0.00 0.00 62.75 62.94 1v5r n ILE 82 Cb 0.48 -1.96 -0.10 0.00 -0.75 0.00 0.00 39.64 37.31 1v5r n ILE 82 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1v5r s SER 83 N 8.32 1.37 -0.25 4.38 0.01 -1.26 -5.14 113.70 121.13 1v5r s SER 83 Ca 1.08 -0.99 -0.02 0.00 1.31 0.00 0.00 55.95 57.32 1v5r s SER 83 Cb -0.66 0.05 0.12 0.00 0.21 0.00 0.00 66.02 65.74 1v5r s SER 83 CO 0.43 -0.41 0.30 -0.13 0.41 0.00 0.00 173.24 173.83 1v5r s ARG 84 N -3.73 0.29 0.17 12.44 0.52 -1.26 -5.15 118.95 122.23 1v5r s ARG 84 Ca 0.13 0.17 -0.03 0.00 -0.52 0.00 0.00 55.73 55.48 1v5r s ARG 84 Cb 0.04 -0.79 -0.03 0.00 0.52 0.00 0.00 34.95 34.69 1v5r s ARG 84 CO -0.03 -0.80 0.15 0.14 0.02 0.00 0.00 175.30 174.79 1v5r s VAL 85 N 2.41 0.05 -0.08 3.52 -7.23 -1.26 -5.10 120.40 112.71 1v5r s VAL 85 Ca 0.09 -1.81 -0.11 0.00 -1.81 0.00 0.00 61.98 58.34 1v5r s VAL 85 Cb -0.15 -2.17 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 1v5r s VAL 85 CO -0.21 -0.24 -0.22 -0.67 -0.31 0.00 0.00 175.10 173.45 1v5r n ASP 86 N -0.20 1.55 0.00 4.85 2.03 -1.26 -5.15 116.55 118.37 1v5r n ASP 86 Ca -0.03 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1v5r n ASP 86 Cb 0.64 -0.59 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 1v5r n ASP 86 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1v5r n GLY 87 N 2.14 -0.40 2.67 0.27 0.00 -1.26 -5.11 105.19 103.50 1v5r n GLY 87 Ca -0.09 -0.62 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.00 0.02 -0.50 1.61 1.02 -1.26 -5.11 119.74 113.52 1v5r s LYS 88 Ca 0.00 0.26 -0.12 0.00 0.02 0.00 0.00 55.97 56.13 1v5r s LYS 88 Cb 0.00 -0.82 0.12 0.00 -0.52 0.00 0.00 37.83 36.61 1v5r s LYS 88 CO 0.00 -0.40 0.40 0.99 -0.92 0.00 0.00 175.35 175.43 1v5r s THR 89 N 2.14 4.57 -0.15 2.17 2.01 -1.26 -5.03 115.64 120.09 1v5r s THR 89 Ca 0.04 -1.69 -0.16 0.00 0.31 0.00 0.00 61.69 60.20 1v5r s THR 89 Cb -0.13 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.44 1v5r s THR 89 CO -0.04 -0.81 0.44 -0.55 -0.69 0.00 0.00 174.62 172.96 1v5r s SER 90 N 3.01 -0.44 -0.14 3.53 0.15 -1.26 -4.99 113.70 113.56 1v5r s SER 90 Ca 0.05 0.82 -0.29 0.00 0.70 0.00 0.00 55.95 57.22 1v5r s SER 90 Cb -0.28 0.84 -0.04 0.00 -1.71 0.00 0.00 66.02 64.84 1v5r s SER 90 CO 0.01 -0.19 1.55 -2.16 1.20 0.00 0.00 173.24 173.64 1v5r s PRO 91 N 0.06 4.06 0.57 5.44 0.04 -1.26 -4.95 135.00 138.96 1v5r s PRO 91 Ca -0.02 1.89 -0.16 0.00 0.04 0.00 0.00 61.00 62.75 1v5r s PRO 91 Cb -0.03 -3.95 -0.14 0.00 0.04 0.00 0.00 34.50 30.42 1v5r s PRO 91 CO 0.01 -0.96 -0.27 0.45 0.04 0.00 0.00 177.00 176.27 1v5r n SER 92 N 7.45 -3.90 0.00 6.66 2.88 -1.26 -4.89 113.62 120.56 1v5r n SER 92 Ca 0.17 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1v5r n SER 92 Cb 0.44 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 1v5r n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v5r n GLY 93 N 2.52 2.37 3.58 0.46 0.00 -1.26 -5.15 105.19 107.71 1v5r n GLY 93 Ca 0.05 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.45 0.10 1.61 0.04 -1.26 -5.09 135.00 128.35 1v5r s PRO 94 Ca 0.00 -0.14 0.03 0.00 0.04 0.00 0.00 61.00 60.92 1v5r s PRO 94 Cb 0.00 -1.58 -0.04 0.00 0.04 0.00 0.00 34.50 32.92 1v5r s PRO 94 CO 0.00 -3.85 -0.08 -1.54 0.04 0.00 0.00 177.00 171.57 1v5r s SER 95 N -3.95 1.29 -0.02 6.66 1.04 -1.26 -5.17 113.70 112.29 1v5r s SER 95 Ca 0.72 -0.91 -0.14 0.00 0.48 0.00 0.00 55.95 56.09 1v5r s SER 95 Cb -0.08 0.05 0.02 0.00 0.10 0.00 0.00 66.02 66.11 1v5r s SER 95 CO 0.56 -0.36 0.31 -0.94 0.98 0.00 0.00 173.24 173.78 1v5r s SER 96 N -2.75 -0.20 0.00 7.02 1.04 -1.26 -5.19 113.70 112.35 1v5r s SER 96 Ca 0.09 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.65 1v5r s SER 96 Cb 0.01 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1v5r s SER 96 CO -0.02 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.39