#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 0.13 -0.10 1.61 0.01 -1.26 -5.18 113.70 108.91 1v5r s SER 2 Ca 0.00 -1.34 -0.18 0.00 1.31 0.00 0.00 55.95 55.74 1v5r s SER 2 Cb 0.00 0.40 0.04 0.00 0.21 0.00 0.00 66.02 66.67 1v5r s SER 2 CO 0.00 -0.87 0.43 -0.55 0.41 0.00 0.00 173.24 172.66 1v5r s SER 3 N -3.15 -0.40 0.00 2.44 0.15 -1.26 -5.02 113.70 106.46 1v5r s SER 3 Ca 0.37 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.62 1v5r s SER 3 Cb 0.06 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 1v5r s SER 3 CO 0.12 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1v5r n GLY 4 N 2.03 0.00 3.36 9.45 0.00 -1.26 -5.09 105.19 113.68 1v5r n GLY 4 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1v5r n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v5r n SER 5 N 0.00 -2.10 -3.59 1.61 7.64 -1.26 -1.41 113.62 114.51 1v5r n SER 5 Ca 0.00 0.81 -0.27 0.00 1.01 0.00 0.00 58.87 60.42 1v5r n SER 5 Cb 0.00 -0.99 0.03 0.00 -1.01 0.00 0.00 64.21 62.24 1v5r n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1v5r n SER 6 N 1.76 -5.12 -4.40 6.43 7.64 -1.26 -4.90 113.62 113.77 1v5r n SER 6 Ca 0.11 -0.57 -0.45 0.00 1.01 0.00 0.00 58.87 58.97 1v5r n SER 6 Cb 0.42 -4.10 -0.01 0.00 -1.01 0.00 0.00 64.21 59.51 1v5r n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1v5r s GLY 7 N -3.07 2.58 -0.49 0.23 0.00 -0.50 -4.96 107.32 101.10 1v5r s GLY 7 Ca 0.54 -3.37 -0.06 0.00 0.00 0.00 0.00 44.72 41.83 1v5r s GLY 7 CO 0.66 1.71 0.33 0.54 0.00 0.00 0.00 173.10 176.34 1v5r s ASN 8 N 2.47 5.50 -0.09 1.64 2.20 -1.26 -4.94 114.94 120.46 1v5r s ASN 8 Ca 0.33 -2.17 -0.06 0.00 -0.94 0.00 0.00 52.86 50.02 1v5r s ASN 8 Cb -0.06 -1.92 -0.02 0.00 -2.00 0.00 0.00 41.25 37.24 1v5r s ASN 8 CO -0.06 -0.57 -0.12 -0.11 -2.94 0.00 0.00 177.10 173.30 1v5r n LEU 9 N 4.48 1.22 0.23 3.54 7.94 -1.26 -3.99 117.00 129.16 1v5r n LEU 9 Ca -0.02 0.51 -0.16 0.00 -1.11 0.00 0.00 56.01 55.24 1v5r n LEU 9 Cb 0.41 -0.75 -0.08 0.00 0.53 0.00 0.00 43.42 43.53 1v5r n LEU 9 CO 0.37 -0.49 0.62 0.25 -1.11 0.00 0.00 177.39 177.04 1v5r h LEU 10 N -0.67 -1.00 -0.96 -1.96 5.85 -1.91 -2.94 115.31 111.71 1v5r h LEU 10 Ca 0.00 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.91 1v5r h LEU 10 Cb 0.34 0.34 -0.12 0.00 0.37 0.00 0.00 40.66 41.58 1v5r h LEU 10 CO 0.00 -0.51 -0.52 -0.67 -0.34 0.00 0.00 178.44 176.39 1v5r n ASP 11 N -5.47 -0.93 -0.32 1.25 2.03 -1.26 0.74 116.55 112.59 1v5r n ASP 11 Ca -0.10 1.71 0.18 0.00 0.52 0.00 0.00 54.79 57.10 1v5r n ASP 11 Cb 0.37 -0.26 0.36 0.00 -0.72 0.00 0.00 41.12 40.88 1v5r n ASP 11 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 1v5r h ASP 12 N 0.00 -0.05 0.00 1.67 3.58 -1.65 0.24 116.42 120.21 1v5r h ASP 12 Ca 0.20 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.88 1v5r h ASP 12 Cb 0.44 0.33 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1v5r h ASP 12 CO -0.92 -0.28 0.00 0.00 -2.88 0.00 0.00 179.24 175.16 1v5r n ALA 13 N -2.73 -0.31 -0.34 -0.78 0.00 0.23 -1.27 120.51 115.31 1v5r n ALA 13 Ca 0.26 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.74 1v5r n ALA 13 Cb 0.85 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.41 1v5r n ALA 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1v5r h VAL 14 N 0.00 0.06 -0.07 0.00 2.07 -0.77 0.31 116.25 117.85 1v5r h VAL 14 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1v5r h VAL 14 Cb 0.00 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1v5r h VAL 14 CO 0.00 0.00 -0.01 0.50 0.02 0.00 0.00 177.57 178.08 1v5r h LYS 15 N -0.01 0.01 -1.00 1.57 3.64 -0.63 0.22 116.57 120.37 1v5r h LYS 15 Ca 0.42 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.86 1v5r h LYS 15 Cb 0.66 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.42 1v5r h LYS 15 CO -0.95 0.01 0.65 0.00 -2.27 0.00 0.00 179.45 176.88 1v5r h ARG 16 N 0.01 1.15 -0.10 1.90 3.08 0.83 0.31 114.38 121.56 1v5r h ARG 16 Ca 0.03 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1v5r h ARG 16 Cb 0.05 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.84 1v5r h ARG 16 CO -0.07 0.76 -0.11 0.82 -1.07 0.00 0.00 179.97 180.31 1v5r h ILE 17 N 1.18 1.37 -0.39 2.04 2.04 -0.10 0.78 117.51 124.43 1v5r h ILE 17 Ca 0.42 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.00 1v5r h ILE 17 Cb 0.14 1.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1v5r h ILE 17 CO -0.16 0.36 0.23 0.77 0.00 0.00 0.00 178.15 179.35 1v5r h SER 18 N -0.17 0.46 0.79 1.72 4.64 -0.19 -2.12 113.55 118.67 1v5r h SER 18 Ca 0.01 -0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 1v5r h SER 18 Cb 0.63 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1v5r h SER 18 CO 0.03 0.36 -1.29 -0.62 -0.87 0.00 0.00 176.83 174.43 1v5r n GLU 19 N -4.45 0.62 -3.70 4.77 1.02 0.06 -4.20 120.64 114.75 1v5r n GLU 19 Ca 0.03 0.20 -0.26 0.00 -0.02 0.00 0.00 57.16 57.11 1v5r n GLU 19 Cb 0.08 -1.81 -0.17 0.00 -0.02 0.00 0.00 31.44 29.52 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 -5.66 2.33 0.36 1.62 2.15 0.27 0.29 116.67 118.03 1v5r s ASP 20 Ca -0.02 -0.53 -0.27 0.00 0.43 0.00 0.00 52.55 52.15 1v5r s ASP 20 Cb 0.09 -0.43 -0.09 0.00 -0.30 0.00 0.00 42.92 42.19 1v5r s ASP 20 CO 0.81 -0.29 1.21 -2.16 -0.17 0.00 0.00 175.17 174.56 1v5r s PRO 21 N 1.98 4.24 0.23 4.34 0.04 -1.21 -3.91 135.00 140.70 1v5r s PRO 21 Ca 0.02 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 1v5r s PRO 21 Cb -0.15 -2.89 -0.09 0.00 0.04 0.00 0.00 34.50 31.41 1v5r s PRO 21 CO -0.07 -0.20 1.28 -1.25 0.04 0.00 0.00 177.00 176.80 1v5r s PRO 22 N -2.00 4.41 -0.13 0.56 0.04 0.14 -4.77 135.00 133.25 1v5r s PRO 22 Ca 0.52 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.33 1v5r s PRO 22 Cb -0.34 -3.17 -0.05 0.00 0.04 0.00 0.00 34.50 30.97 1v5r s PRO 22 CO 0.44 -0.19 1.90 0.00 0.04 0.00 0.00 177.00 179.18 1v5r h LYS 24 N 11.86 0.03 -5.16 0.00 1.79 -1.92 -3.45 116.57 119.71 1v5r h LYS 24 Ca -0.41 -0.01 -0.53 0.00 -2.18 0.00 0.00 60.65 57.52 1v5r h LYS 24 Cb 1.20 -0.00 0.14 0.00 -1.58 0.00 0.00 32.23 31.99 1v5r h LYS 24 CO 0.97 0.22 -0.86 0.00 -1.08 0.00 0.00 179.45 178.70 1v5r n PRO 26 N 1.19 0.49 -3.79 0.00 -0.04 -1.26 -4.41 135.00 127.17 1v5r n PRO 26 Ca 0.09 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.26 1v5r n PRO 26 Cb 0.36 -1.35 -0.16 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 -2.00 0.87 0.27 0.52 2.01 -1.26 -5.12 115.64 110.93 1v5r s THR 27 Ca 0.16 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 1v5r s THR 27 Cb 0.08 -1.37 -0.10 0.00 0.01 0.00 0.00 72.50 71.12 1v5r s THR 27 CO 0.13 -0.27 1.39 -0.75 -0.69 0.00 0.00 174.62 174.43 1v5r s LYS 28 N 1.68 4.30 1.02 4.92 2.36 -1.26 -4.97 119.74 127.79 1v5r s LYS 28 Ca -0.00 2.26 -0.15 0.00 -2.55 0.00 0.00 55.97 55.53 1v5r s LYS 28 Cb -0.18 -3.10 0.07 0.00 -1.05 0.00 0.00 37.83 33.57 1v5r s LYS 28 CO -0.11 -0.35 0.24 0.34 1.55 0.00 0.00 175.35 177.03 1v5r n PHE 29 N 1.90 -1.45 -3.13 4.03 7.35 -1.26 -4.91 117.46 119.98 1v5r n PHE 29 Ca 0.05 0.19 -0.43 0.00 -0.76 0.00 0.00 57.45 56.50 1v5r n PHE 29 Cb 0.41 -1.69 -0.07 0.00 0.35 0.00 0.00 39.48 38.48 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 2.74 0.05 -0.02 0.00 1.01 -1.22 -2.08 120.40 120.87 1v5r s VAL 31 Ca 0.22 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1v5r s VAL 31 Cb -0.14 -0.84 0.02 0.00 0.00 0.00 0.00 36.38 35.42 1v5r s VAL 31 CO 0.18 -0.46 -0.01 -0.70 0.00 0.00 0.00 175.10 174.11 1v5r s GLU 32 N 2.06 0.37 0.25 2.72 2.56 -1.22 -4.93 118.70 120.51 1v5r s GLU 32 Ca 0.05 -0.00 -0.30 0.00 0.00 0.00 0.00 54.97 54.72 1v5r s GLU 32 Cb -0.16 -0.47 -0.09 0.00 2.00 0.00 0.00 34.13 35.40 1v5r s GLU 32 CO -0.20 -0.07 1.26 0.50 -0.56 0.00 0.00 175.26 176.19 1v5r s ARG 33 N 0.71 4.43 -0.10 4.30 3.52 -1.26 -0.64 118.95 129.92 1v5r s ARG 33 Ca -0.07 2.04 -0.03 0.00 -0.13 0.00 0.00 55.73 57.54 1v5r s ARG 33 Cb -0.11 -3.16 -0.05 0.00 -1.56 0.00 0.00 34.95 30.07 1v5r s ARG 33 CO -0.01 -0.14 -0.11 1.28 -0.81 0.00 0.00 175.30 175.51 1v5r n LEU 34 N 1.85 1.50 -3.95 -0.88 4.77 -0.42 -4.92 117.00 114.95 1v5r n LEU 34 Ca 0.03 0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1v5r n LEU 34 Cb 0.43 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1v5r n LEU 34 CO 0.57 0.36 0.33 -0.94 -1.33 0.00 0.00 177.39 176.38 1v5r s SER 35 N -5.52 0.35 -0.60 -1.43 1.04 -1.19 -5.01 113.70 101.33 1v5r s SER 35 Ca -0.13 -1.23 -0.26 0.00 0.48 0.00 0.00 55.95 54.81 1v5r s SER 35 Cb 0.04 0.74 -0.10 0.00 0.10 0.00 0.00 66.02 66.80 1v5r s SER 35 CO 0.18 -1.44 2.45 0.00 0.98 0.00 0.00 173.24 175.41 1v5r n GLN 36 N -0.52 0.82 -1.31 4.02 6.02 -1.26 -0.79 117.38 124.37 1v5r n GLN 36 Ca -0.03 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 1v5r n GLN 36 Cb 0.61 -3.17 0.00 0.00 1.02 0.00 0.00 30.24 28.70 1v5r n GLN 36 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1v5r n GLY 37 N 6.15 1.01 3.09 1.08 0.00 -1.26 -5.07 105.19 110.19 1v5r n GLY 37 Ca 0.43 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.85 0.23 0.01 1.61 3.52 0.03 -3.31 118.95 118.20 1v5r s ARG 38 Ca 0.00 0.53 -0.03 0.00 -0.13 0.00 0.00 55.73 56.10 1v5r s ARG 38 Cb 0.00 -0.08 -0.01 0.00 -1.56 0.00 0.00 34.95 33.30 1v5r s ARG 38 CO 0.00 -0.15 0.03 0.71 -0.81 0.00 0.00 175.30 175.09 1v5r s TYR 39 N 1.12 0.17 -0.50 5.12 1.51 -1.00 -1.31 117.35 122.46 1v5r s TYR 39 Ca -0.08 -0.37 -0.24 0.00 -1.01 0.00 0.00 57.07 55.37 1v5r s TYR 39 Cb -0.09 -0.13 0.04 0.00 -0.11 0.00 0.00 41.96 41.66 1v5r s TYR 39 CO -0.08 -0.22 0.87 0.50 -1.11 0.00 0.00 175.55 175.51 1v5r s ARG 40 N -1.40 3.37 -0.39 -0.62 3.52 0.18 -3.16 118.95 120.46 1v5r s ARG 40 Ca -0.15 -0.19 -0.13 0.00 -0.13 0.00 0.00 55.73 55.13 1v5r s ARG 40 Cb -0.09 -4.00 0.02 0.00 -1.56 0.00 0.00 34.95 29.32 1v5r s ARG 40 CO -0.00 -1.31 0.26 0.08 -0.81 0.00 0.00 175.30 173.52 1v5r s VAL 41 N 3.62 4.99 0.00 7.11 1.01 -0.55 -3.37 120.40 133.21 1v5r s VAL 41 Ca 0.30 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1v5r s VAL 41 Cb -0.12 -3.77 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1v5r s VAL 41 CO 0.21 -0.27 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1v5r n GLY 42 N 5.09 0.97 0.73 4.51 0.00 -0.89 -1.16 105.19 114.44 1v5r n GLY 42 Ca -0.11 0.50 0.06 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 1.26 -3.89 1.61 1.02 -1.26 -4.81 120.64 114.57 1v5r n GLU 43 Ca 0.00 -3.00 -0.10 0.00 -0.02 0.00 0.00 57.16 54.04 1v5r n GLU 43 Cb 0.00 -1.31 -0.09 0.00 -0.02 0.00 0.00 31.44 30.02 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 -2.59 0.58 -0.23 3.49 1.02 -0.31 -5.15 119.74 116.55 1v5r s LYS 44 Ca 0.36 -0.60 -0.08 0.00 0.02 0.00 0.00 55.97 55.67 1v5r s LYS 44 Cb 0.36 0.24 -0.04 0.00 -0.52 0.00 0.00 37.83 37.87 1v5r s LYS 44 CO -0.08 -0.15 0.09 0.42 -0.92 0.00 0.00 175.35 174.71 1v5r s ILE 45 N -2.19 4.61 0.11 2.17 -1.09 -1.26 -1.48 121.20 122.07 1v5r s ILE 45 Ca -0.08 -0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.29 1v5r s ILE 45 Cb -0.03 -3.14 -0.04 0.00 -1.58 0.00 0.00 42.46 37.67 1v5r s ILE 45 CO -0.02 0.36 -0.08 -0.76 -1.23 0.00 0.00 174.94 173.20 1v5r s LEU 46 N 1.27 2.48 -0.44 2.97 1.43 -1.19 -5.01 118.68 120.20 1v5r s LEU 46 Ca 0.05 -0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 52.07 1v5r s LEU 46 Cb -0.15 -0.19 0.06 0.00 0.03 0.00 0.00 46.19 45.94 1v5r s LEU 46 CO 0.04 -0.38 0.33 -0.36 0.23 0.00 0.00 176.35 176.22 1v5r s PHE 47 N -3.18 3.26 -0.16 0.29 0.40 -1.26 -2.37 117.98 114.96 1v5r s PHE 47 Ca 0.10 -0.94 -0.15 0.00 -0.60 0.00 0.00 56.93 55.35 1v5r s PHE 47 Cb 0.02 -2.93 -0.04 0.00 0.51 0.00 0.00 43.02 40.58 1v5r s PHE 47 CO -0.02 -0.74 0.33 0.42 0.70 0.00 0.00 175.22 175.91 1v5r s ILE 48 N 1.61 5.28 0.05 0.64 1.01 -1.21 -0.63 121.20 127.95 1v5r s ILE 48 Ca 0.04 0.62 0.07 0.00 0.00 0.00 0.00 60.65 61.38 1v5r s ILE 48 Cb -0.22 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 1v5r s ILE 48 CO 0.07 0.36 -0.19 -0.13 0.00 0.00 0.00 174.94 175.06 1v5r s ARG 49 N 0.58 1.20 -0.21 2.79 0.52 -0.47 -4.47 118.95 118.90 1v5r s ARG 49 Ca 0.18 -0.92 -0.06 0.00 -0.52 0.00 0.00 55.73 54.41 1v5r s ARG 49 Cb -0.13 -1.30 -0.03 0.00 0.52 0.00 0.00 34.95 34.00 1v5r s ARG 49 CO 0.05 0.33 0.04 1.41 0.02 0.00 0.00 175.30 177.14 1v5r s MET 50 N -1.28 3.74 -0.50 3.54 1.75 -1.26 -1.73 119.30 123.55 1v5r s MET 50 Ca 0.05 -0.46 -0.22 0.00 -1.25 0.00 0.00 55.69 53.82 1v5r s MET 50 Cb -0.09 -3.18 0.04 0.00 2.84 0.00 0.00 34.83 34.44 1v5r s MET 50 CO 0.02 0.05 0.78 -0.51 -0.65 0.00 0.00 175.02 174.70 1v5r s LEU 51 N 0.95 4.44 -1.28 4.11 1.02 0.69 -4.23 118.68 124.39 1v5r s LEU 51 Ca 0.03 -0.47 -0.09 0.00 0.02 0.00 0.00 54.13 53.62 1v5r s LEU 51 Cb -0.14 -2.73 0.07 0.00 0.02 0.00 0.00 46.19 43.41 1v5r s LEU 51 CO 0.02 -1.01 0.47 1.41 0.02 0.00 0.00 176.35 177.26 1v5r n HIS 52 N 6.77 -1.77 -3.82 0.29 8.25 -1.26 -0.55 115.22 123.13 1v5r n HIS 52 Ca -0.01 0.45 -0.30 0.00 -0.26 0.00 0.00 57.72 57.60 1v5r n HIS 52 Cb 0.47 -2.98 -0.02 0.00 1.12 0.00 0.00 29.99 28.58 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 -2.27 -3.13 0.00 0.41 4.05 -1.26 -4.73 115.26 108.33 1v5r n ASN 53 Ca -0.02 -0.70 0.00 0.00 0.45 0.00 0.00 54.58 54.31 1v5r n ASN 53 Cb 0.55 -2.60 0.00 0.00 1.23 0.00 0.00 39.78 38.95 1v5r n ASN 53 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 1v5r n LYS 54 N -3.96 0.38 -4.26 1.20 4.81 0.29 -5.05 118.16 111.57 1v5r n LYS 54 Ca 0.04 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.19 1v5r n LYS 54 Cb 0.50 -0.77 -0.17 0.00 0.02 0.00 0.00 35.03 34.62 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 -1.54 2.17 -0.44 5.64 3.76 -0.94 -4.98 115.29 118.95 1v5r s HIS 55 Ca 0.00 -1.14 -0.17 0.00 -0.15 0.00 0.00 55.06 53.61 1v5r s HIS 55 Cb 0.00 -1.56 0.04 0.00 1.11 0.00 0.00 32.58 32.16 1v5r s HIS 55 CO 0.00 -0.60 0.42 0.08 -0.85 0.00 0.00 174.74 173.79 1v5r s VAL 56 N 1.22 5.13 0.36 -0.90 1.01 -1.26 -0.22 120.40 125.74 1v5r s VAL 56 Ca -0.01 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.47 1v5r s VAL 56 Cb -0.14 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1v5r s VAL 56 CO -0.06 -0.47 0.09 -0.04 0.00 0.00 0.00 175.10 174.61 1v5r s MET 57 N 1.99 2.18 0.14 2.72 -1.94 -0.71 -1.11 119.30 122.56 1v5r s MET 57 Ca 0.09 -1.75 0.04 0.00 -1.71 0.00 0.00 55.69 52.36 1v5r s MET 57 Cb -0.19 -1.98 -0.04 0.00 2.01 0.00 0.00 34.83 34.62 1v5r s MET 57 CO 0.11 0.05 -0.08 0.14 -0.01 0.00 0.00 175.02 175.23 1v5r s VAL 58 N -2.53 1.01 -0.49 -6.03 -7.23 -0.37 -1.37 120.40 103.40 1v5r s VAL 58 Ca 0.37 -2.02 -0.18 0.00 -1.81 0.00 0.00 61.98 58.33 1v5r s VAL 58 Cb 0.01 -1.82 0.05 0.00 0.56 0.00 0.00 36.38 35.18 1v5r s VAL 58 CO 0.21 -0.76 0.57 -0.60 -0.31 0.00 0.00 175.10 174.21 1v5r s ARG 59 N -3.78 3.11 -0.88 4.82 6.06 0.20 -3.22 118.95 125.25 1v5r s ARG 59 Ca 0.16 -0.91 -0.01 0.00 -2.50 0.00 0.00 55.73 52.48 1v5r s ARG 59 Cb 0.04 -4.08 0.23 0.00 0.06 0.00 0.00 34.95 31.19 1v5r s ARG 59 CO -0.01 -1.14 0.81 1.33 -2.50 0.00 0.00 175.30 173.79 1v5r n VAL 60 N 5.55 3.01 0.00 7.11 0.24 -1.06 -4.22 118.33 128.96 1v5r n VAL 60 Ca -0.07 -5.16 0.00 0.00 -2.04 0.00 0.00 64.34 57.07 1v5r n VAL 60 Cb 0.45 -2.32 0.00 0.00 -1.47 0.00 0.00 33.84 30.50 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 2.08 1.37 0.00 7.63 0.00 -1.26 -3.27 105.19 111.73 1v5r n GLY 61 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1v5r n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v5r n GLY 62 N 0.00 0.09 3.11 -0.02 0.00 -1.26 -5.15 105.19 101.96 1v5r n GLY 62 Ca 0.00 -0.05 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.74 -0.68 2.70 -0.02 0.00 -1.20 -5.07 105.19 100.17 1v5r n GLY 63 Ca 0.00 -1.81 -0.25 0.00 0.00 0.00 0.00 46.02 43.95 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 -3.01 0.61 0.41 1.61 0.52 -1.26 -2.56 118.94 115.26 1v5r s TRP 64 Ca 0.58 -0.43 0.07 0.00 0.02 0.00 0.00 56.10 56.35 1v5r s TRP 64 Cb -0.02 -0.82 -0.05 0.00 -1.15 0.00 0.00 33.47 31.43 1v5r s TRP 64 CO 0.40 -0.47 0.22 -1.83 0.02 0.00 0.00 176.95 175.29 1v5r s GLU 65 N 1.99 2.29 -0.19 4.98 -1.05 -1.20 -4.85 118.70 120.68 1v5r s GLU 65 Ca 0.02 -1.77 -0.29 0.00 -0.15 0.00 0.00 54.97 52.77 1v5r s GLU 65 Cb -0.15 -2.07 -0.01 0.00 -0.44 0.00 0.00 34.13 31.46 1v5r s GLU 65 CO -0.07 -0.13 1.32 0.95 0.95 0.00 0.00 175.26 178.28 1v5r s THR 66 N -2.57 4.17 0.22 1.83 -4.23 -1.26 -1.23 115.64 112.57 1v5r s THR 66 Ca 0.42 1.39 -0.14 0.00 -1.18 0.00 0.00 61.69 62.19 1v5r s THR 66 Cb 0.02 -3.99 0.27 0.00 1.34 0.00 0.00 72.50 70.14 1v5r s THR 66 CO 0.24 -0.22 1.40 0.33 -0.54 0.00 0.00 174.62 175.83 1v5r n PHE 67 N 7.00 0.10 -0.28 3.99 7.35 -0.26 0.20 117.46 135.56 1v5r n PHE 67 Ca 0.15 1.11 0.12 0.00 -0.76 0.00 0.00 57.45 58.06 1v5r n PHE 67 Cb 0.45 -0.88 0.37 0.00 0.35 0.00 0.00 39.48 39.77 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 1.38 1.81 -0.63 3.13 0.00 -1.91 -0.41 119.26 122.63 1v5r h ALA 68 Ca 0.34 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 1v5r h ALA 68 Cb 0.57 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1v5r h ALA 68 CO -0.90 -0.06 0.15 0.78 0.00 0.00 0.00 179.25 179.22 1v5r h GLY 69 N 0.71 1.09 1.62 0.00 0.00 0.19 -0.70 103.07 105.99 1v5r h GLY 69 Ca 0.45 -0.69 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 1v5r h GLY 69 CO -0.21 0.64 -0.60 -1.82 0.00 0.00 0.00 176.54 174.55 1v5r h TYR 70 N 0.93 0.50 -0.20 5.60 5.03 -0.51 -2.95 116.97 125.37 1v5r h TYR 70 Ca 0.20 -0.19 -0.15 0.00 2.58 0.00 0.00 58.73 61.17 1v5r h TYR 70 Cb 0.36 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 1v5r h TYR 70 CO 0.03 0.89 -0.51 1.25 -1.32 0.00 0.00 178.16 178.49 1v5r h LEU 71 N 0.29 0.62 -0.51 2.82 5.85 -0.93 -3.16 115.31 120.28 1v5r h LEU 71 Ca -0.00 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 1v5r h LEU 71 Cb 1.13 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1v5r h LEU 71 CO 0.10 1.02 0.20 0.17 -0.34 0.00 0.00 178.44 179.59 1v5r h LEU 72 N 0.45 0.71 -0.49 2.25 8.10 -1.07 0.35 115.31 125.61 1v5r h LEU 72 Ca 0.02 -0.17 0.09 0.00 0.11 0.00 0.00 57.88 57.93 1v5r h LEU 72 Cb 1.05 -0.19 -0.10 0.00 -0.44 0.00 0.00 40.66 40.98 1v5r h LEU 72 CO 0.10 0.69 -0.29 0.11 -4.11 0.00 0.00 178.44 174.94 1v5r h LYS 73 N 0.69 -0.17 0.01 0.17 1.57 -1.48 -2.82 116.57 114.53 1v5r h LYS 73 Ca 0.17 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1v5r h LYS 73 Cb 0.21 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1v5r h LYS 73 CO -0.01 -0.11 -0.00 0.45 -0.57 0.00 0.00 179.45 179.20 1v5r h HIS 74 N -0.17 -0.01 -2.31 -1.35 3.86 -1.59 -3.44 115.15 110.14 1v5r h HIS 74 Ca 0.21 -0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.87 1v5r h HIS 74 Cb 0.52 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.00 1v5r h HIS 74 CO -0.55 0.80 1.29 0.34 0.86 0.00 0.00 177.93 180.67 1v5r s ASP 75 N -6.02 6.18 -0.01 2.45 -1.08 0.12 -4.89 116.67 113.42 1v5r s ASP 75 Ca -0.17 2.36 -0.24 0.00 -0.52 0.00 0.00 52.55 53.98 1v5r s ASP 75 Cb -0.01 -2.53 -0.19 0.00 -1.46 0.00 0.00 42.92 38.73 1v5r s ASP 75 CO 0.66 -1.31 1.29 1.55 0.52 0.00 0.00 175.17 177.88 1v5r h PRO 76 N 11.77 0.09 -0.31 4.34 0.13 -1.86 -2.44 132.00 143.73 1v5r h PRO 76 Ca -0.46 -0.05 0.09 0.00 -0.87 0.00 0.00 66.00 64.72 1v5r h PRO 76 Cb 1.23 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1v5r h PRO 76 CO 0.95 0.55 0.28 0.00 -0.23 0.00 0.00 178.00 179.55 1v5r h ARG 78 N 0.00 0.47 -1.09 0.00 3.08 -1.83 -3.28 114.38 111.73 1v5r h ARG 78 Ca 0.15 -0.80 0.32 0.00 0.07 0.00 0.00 59.98 59.71 1v5r h ARG 78 Cb 0.71 0.30 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 1v5r h ARG 78 CO -0.00 1.38 1.24 -1.33 -1.07 0.00 0.00 179.97 180.19 1v5r n MET 79 N -3.84 0.01 -0.57 0.04 2.81 -0.43 -0.16 117.12 114.98 1v5r n MET 79 Ca -0.16 1.03 -0.03 0.00 -1.81 0.00 0.00 57.70 56.72 1v5r n MET 79 Cb 1.02 -2.54 0.01 0.00 -0.71 0.00 0.00 33.22 31.00 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 -3.28 5.56 0.00 4.03 4.77 -1.24 -3.34 117.00 123.49 1v5r n LEU 80 Ca 0.25 -2.58 0.00 0.00 -0.03 0.00 0.00 56.01 53.65 1v5r n LEU 80 Cb 1.57 -1.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1v5r n LEU 80 CO 0.25 1.05 -0.24 0.00 -1.33 0.00 0.00 177.39 177.12 1v5r n GLN 81 N 1.28 1.16 -1.16 3.23 6.02 0.77 -5.07 117.38 123.61 1v5r n GLN 81 Ca 0.06 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.59 1v5r n GLN 81 Cb 0.51 -0.74 -0.07 0.00 1.02 0.00 0.00 30.24 30.97 1v5r n GLN 81 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1v5r n ILE 82 N -1.50 0.00 0.00 5.09 5.41 -1.21 -4.83 119.36 122.32 1v5r n ILE 82 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1v5r n ILE 82 Cb 0.24 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 1v5r n ILE 82 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1v5r n SER 83 N 2.29 2.18 -4.78 4.38 3.41 -1.26 -5.05 113.62 114.79 1v5r n SER 83 Ca 0.19 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.43 1v5r n SER 83 Cb -0.02 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.92 4.52 0.19 4.33 1.81 -1.26 -4.97 118.95 121.64 1v5r s ARG 84 Ca 0.00 1.41 0.01 0.00 -1.72 0.00 0.00 55.73 55.43 1v5r s ARG 84 Cb 0.00 -2.80 0.08 0.00 -0.45 0.00 0.00 34.95 31.78 1v5r s ARG 84 CO 0.00 0.20 1.44 -0.39 -0.68 0.00 0.00 175.30 175.87 1v5r h VAL 85 N 2.58 1.42 -2.63 3.52 -1.51 -2.04 -3.46 116.25 114.14 1v5r h VAL 85 Ca -0.47 -2.27 -0.58 0.00 -1.23 0.00 0.00 66.70 62.14 1v5r h VAL 85 Cb 1.20 2.22 0.18 0.00 -2.13 0.00 0.00 31.29 32.75 1v5r h VAL 85 CO 0.65 0.67 -0.71 -0.90 -1.23 0.00 0.00 177.57 176.05 1v5r n ASP 86 N -3.78 -2.16 0.21 4.19 5.68 -1.26 -4.88 116.55 114.55 1v5r n ASP 86 Ca -0.04 0.67 0.00 0.00 -0.50 0.00 0.00 54.79 54.92 1v5r n ASP 86 Cb 0.72 -1.05 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 1v5r n ASP 86 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1v5r n GLY 87 N 2.08 -1.65 3.63 6.12 0.00 -1.26 -5.09 105.19 109.02 1v5r n GLY 87 Ca 0.10 0.32 -0.43 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.00 3.79 -0.17 1.61 2.20 -1.26 -4.85 119.74 119.07 1v5r s LYS 88 Ca 0.00 1.56 -0.05 0.00 -0.36 0.00 0.00 55.97 57.11 1v5r s LYS 88 Cb 0.00 -4.01 -0.08 0.00 -1.51 0.00 0.00 37.83 32.22 1v5r s LYS 88 CO 0.00 -1.29 -0.19 0.25 -0.36 0.00 0.00 175.35 173.75 1v5r n THR 89 N 6.43 0.92 -3.87 3.43 -2.24 -1.26 -4.95 114.28 112.74 1v5r n THR 89 Ca 0.18 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.39 1v5r n THR 89 Cb 0.46 -1.52 -0.15 0.00 -2.10 0.00 0.00 70.33 67.01 1v5r n THR 89 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1v5r s SER 90 N -6.21 3.88 1.12 3.42 0.01 -1.26 -5.13 113.70 109.53 1v5r s SER 90 Ca -0.23 -1.37 -0.10 0.00 1.31 0.00 0.00 55.95 55.56 1v5r s SER 90 Cb 0.08 -1.07 0.15 0.00 0.21 0.00 0.00 66.02 65.38 1v5r s SER 90 CO 0.32 -0.31 0.52 -0.81 0.41 0.00 0.00 173.24 173.37 1v5r n PRO 91 N 4.72 -2.04 -3.03 12.44 -0.04 -1.26 -5.08 135.00 140.71 1v5r n PRO 91 Ca -0.07 -0.84 -0.19 0.00 -0.04 0.00 0.00 63.50 62.36 1v5r n PRO 91 Cb 0.44 -0.79 0.05 0.00 -0.04 0.00 0.00 33.50 33.16 1v5r n PRO 91 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1v5r s SER 92 N -2.92 5.25 0.00 3.54 1.04 -1.26 -5.01 113.70 114.33 1v5r s SER 92 Ca 0.34 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 56.03 1v5r s SER 92 Cb -0.03 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1v5r s SER 92 CO 0.26 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1v5r n GLY 93 N -2.14 -0.91 3.74 7.32 0.00 -1.26 -5.12 105.19 106.81 1v5r n GLY 93 Ca 0.14 0.33 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 1v5r n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v5r s PRO 94 N 0.00 4.39 0.12 1.61 0.04 -1.26 -5.03 135.00 134.86 1v5r s PRO 94 Ca 0.00 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.11 1v5r s PRO 94 Cb 0.00 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 1v5r s PRO 94 CO 0.00 -0.24 0.19 -1.54 0.04 0.00 0.00 177.00 175.45 1v5r s SER 95 N 0.33 6.00 -0.12 6.66 1.04 -1.26 -5.11 113.70 121.23 1v5r s SER 95 Ca 0.56 0.09 -0.01 0.00 0.48 0.00 0.00 55.95 57.08 1v5r s SER 95 Cb -0.36 -1.73 0.03 0.00 0.10 0.00 0.00 66.02 64.06 1v5r s SER 95 CO 0.38 0.11 -0.03 -0.94 0.98 0.00 0.00 173.24 173.74 1v5r s SER 96 N -2.85 2.24 0.00 7.02 1.04 -1.26 -5.34 113.70 114.54 1v5r s SER 96 Ca 0.33 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1v5r s SER 96 Cb -0.12 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.32 1v5r s SER 96 CO 0.26 -0.19 0.00 0.61 0.98 0.00 0.00 173.24 174.90