#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v5i n ALA 2 N 0.00 2.81 0.00 -1.46 0.00 0.18 -4.90 120.51 117.13 1v5i n ALA 2 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1v5i n ALA 2 Cb 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1v5i n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1v5i n GLY 3 N 1.43 0.59 3.73 0.00 0.00 -1.24 -4.96 105.19 104.74 1v5i n GLY 3 Ca 0.09 -2.22 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 1v5i n GLY 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v5i s LYS 4 N -0.68 4.26 0.21 1.61 1.02 -1.26 -1.75 119.74 123.14 1v5i s LYS 4 Ca 0.00 0.18 0.02 0.00 0.02 0.00 0.00 55.97 56.19 1v5i s LYS 4 Cb 0.00 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 1v5i s LYS 4 CO 0.00 0.24 0.03 -0.06 -0.92 0.00 0.00 175.35 174.64 1v5i s PHE 5 N 0.45 1.39 -0.10 3.18 0.40 -0.21 -0.87 117.98 122.22 1v5i s PHE 5 Ca 0.19 -1.06 0.02 0.00 -0.60 0.00 0.00 56.93 55.48 1v5i s PHE 5 Cb -0.13 -0.80 0.01 0.00 0.51 0.00 0.00 43.02 42.61 1v5i s PHE 5 CO 0.05 -0.22 -0.15 0.42 0.70 0.00 0.00 175.22 176.02 1v5i s ILE 6 N -3.65 1.47 -0.10 0.64 1.01 0.36 -1.67 121.20 119.26 1v5i s ILE 6 Ca 0.30 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.35 1v5i s ILE 6 Cb 0.07 -1.33 0.00 0.00 0.01 0.00 0.00 42.46 41.20 1v5i s ILE 6 CO 0.08 0.43 -0.23 -0.69 0.00 0.00 0.00 174.94 174.54 1v5i s VAL 7 N 0.88 1.98 -0.12 2.92 1.01 0.57 -1.72 120.40 125.92 1v5i s VAL 7 Ca -0.09 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 60.95 1v5i s VAL 7 Cb -0.15 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 1v5i s VAL 7 CO 0.00 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 174.82 1v5i s ILE 8 N 0.46 2.42 0.55 2.22 -1.09 -0.11 -0.56 121.20 125.10 1v5i s ILE 8 Ca -0.16 -0.88 -0.12 0.00 -2.23 0.00 0.00 60.65 57.25 1v5i s ILE 8 Cb -0.17 -1.97 -0.05 0.00 -1.58 0.00 0.00 42.46 38.68 1v5i s ILE 8 CO 0.07 0.54 0.97 -0.36 -1.23 0.00 0.00 174.94 174.93 1v5i s PHE 9 N 0.48 3.55 0.54 3.97 0.40 0.30 0.09 117.98 127.32 1v5i s PHE 9 Ca -0.13 1.28 -0.19 0.00 -0.60 0.00 0.00 56.93 57.29 1v5i s PHE 9 Cb -0.17 -2.68 -0.06 0.00 0.51 0.00 0.00 43.02 40.63 1v5i s PHE 9 CO 0.05 -0.50 1.09 0.15 0.70 0.00 0.00 175.22 176.71 1v5i s LYS 10 N -4.67 3.44 0.00 0.44 -0.14 -0.73 -4.33 119.74 113.75 1v5i s LYS 10 Ca 0.55 1.45 0.20 0.00 -1.36 0.00 0.00 55.97 56.81 1v5i s LYS 10 Cb -0.11 -2.03 1.01 0.00 -1.68 0.00 0.00 37.83 35.03 1v5i s LYS 10 CO 0.44 -0.74 1.61 0.09 -0.76 0.00 0.00 175.35 175.98 1v5i n ASN 11 N -1.39 0.00 -1.33 2.83 3.02 -1.26 -2.73 115.26 114.40 1v5i n ASN 11 Ca 0.10 -0.07 0.12 0.00 -0.03 0.00 0.00 54.58 54.70 1v5i n ASN 11 Cb 0.52 -0.25 0.30 0.00 -0.61 0.00 0.00 39.78 39.74 1v5i n ASN 11 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1v5i n ASP 12 N -1.25 3.87 -4.71 6.41 3.85 -1.26 -4.92 116.55 118.55 1v5i n ASP 12 Ca 0.10 -2.00 -0.42 0.00 -0.71 0.00 0.00 54.79 51.76 1v5i n ASP 12 Cb 0.15 -0.44 -0.03 0.00 -1.35 0.00 0.00 41.12 39.44 1v5i n ASP 12 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 1v5i s VAL 13 N -1.12 4.87 0.85 2.12 1.01 -1.10 -5.03 120.40 122.00 1v5i s VAL 13 Ca 0.47 1.99 -0.11 0.00 0.00 0.00 0.00 61.98 64.33 1v5i s VAL 13 Cb 0.25 -4.29 0.10 0.00 0.00 0.00 0.00 36.38 32.44 1v5i s VAL 13 CO 0.33 0.14 1.10 -0.94 0.00 0.00 0.00 175.10 175.73 1v5i s SER 14 N 1.01 3.83 0.26 3.32 1.04 -1.26 -4.85 113.70 117.04 1v5i s SER 14 Ca 0.50 1.74 -0.02 0.00 0.48 0.00 0.00 55.95 58.65 1v5i s SER 14 Cb -0.20 -2.40 0.35 0.00 0.10 0.00 0.00 66.02 63.87 1v5i s SER 14 CO 0.25 -2.45 1.79 -0.33 0.98 0.00 0.00 173.24 173.48 1v5i h GLU 15 N -1.42 0.85 -0.59 4.02 4.39 -1.99 -1.44 114.58 118.40 1v5i h GLU 15 Ca -0.46 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.00 1v5i h GLU 15 Cb 1.26 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 1v5i h GLU 15 CO 0.51 0.79 0.19 -0.44 -1.16 0.00 0.00 179.01 178.91 1v5i h ASP 16 N 0.81 0.85 -0.51 1.42 3.32 -1.99 -1.09 116.42 119.22 1v5i h ASP 16 Ca 0.17 -0.20 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 1v5i h ASP 16 Cb 0.36 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1v5i h ASP 16 CO 0.01 0.82 -0.01 0.50 -1.72 0.00 0.00 179.24 178.84 1v5i h LYS 17 N 0.83 0.95 -0.24 3.56 1.63 -1.85 0.11 116.57 121.55 1v5i h LYS 17 Ca 0.19 -0.29 -0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1v5i h LYS 17 Cb 0.27 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.80 1v5i h LYS 17 CO -0.01 0.94 0.12 0.82 -3.45 0.00 0.00 179.45 177.88 1v5i h ILE 18 N 0.87 1.13 -0.38 2.00 2.04 -0.98 0.87 117.51 123.08 1v5i h ILE 18 Ca 0.16 -0.37 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1v5i h ILE 18 Cb 0.52 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1v5i h ILE 18 CO 0.03 0.13 0.17 -0.09 0.00 0.00 0.00 178.15 178.39 1v5i h ARG 19 N 0.26 0.55 -0.87 2.37 2.43 -0.96 -2.38 114.38 115.78 1v5i h ARG 19 Ca 0.08 -0.09 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1v5i h ARG 19 Cb 0.10 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1v5i h ARG 19 CO -0.01 0.50 0.56 1.49 -1.51 0.00 0.00 179.97 180.99 1v5i h GLU 20 N 0.47 1.03 -0.18 0.20 4.81 -0.53 -0.97 114.58 119.41 1v5i h GLU 20 Ca 0.13 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1v5i h GLU 20 Cb 0.14 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1v5i h GLU 20 CO -0.01 0.68 0.10 1.15 -0.73 0.00 0.00 179.01 180.19 1v5i h THR 21 N 1.06 1.11 -0.43 0.32 2.02 -0.53 -1.49 112.91 114.96 1v5i h THR 21 Ca 0.36 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 67.13 1v5i h THR 21 Cb 0.06 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1v5i h THR 21 CO -0.13 0.10 -0.18 0.11 0.37 0.00 0.00 175.52 175.78 1v5i h LYS 22 N 0.19 0.84 -0.59 6.66 1.57 -1.13 -1.61 116.57 122.50 1v5i h LYS 22 Ca 0.06 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 1v5i h LYS 22 Cb 0.08 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1v5i h LYS 22 CO -0.01 0.96 0.24 -0.44 -0.57 0.00 0.00 179.45 179.63 1v5i h ASP 23 N 0.74 0.78 -0.51 0.86 3.32 -1.04 -2.42 116.42 118.16 1v5i h ASP 23 Ca 0.11 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 1v5i h ASP 23 Cb 0.71 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1v5i h ASP 23 CO 0.05 0.70 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.15 1v5i h GLU 24 N 0.85 0.93 -0.70 3.56 4.81 -0.86 -0.25 114.58 122.91 1v5i h GLU 24 Ca 0.20 -0.32 0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1v5i h GLU 24 Cb 0.16 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.40 1v5i h GLU 24 CO -0.02 0.97 0.36 0.28 -0.73 0.00 0.00 179.01 179.87 1v5i h VAL 25 N 0.79 0.87 -0.28 0.32 2.07 -0.83 0.08 116.25 119.27 1v5i h VAL 25 Ca 0.14 -0.21 -0.14 0.00 0.82 0.00 0.00 66.70 67.31 1v5i h VAL 25 Cb 0.58 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1v5i h VAL 25 CO 0.03 0.11 -0.36 0.40 0.02 0.00 0.00 177.57 177.78 1v5i h ILE 26 N 0.62 1.30 -0.45 4.57 2.04 -1.22 0.26 117.51 124.63 1v5i h ILE 26 Ca 0.34 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1v5i h ILE 26 Cb 0.33 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1v5i h ILE 26 CO -0.25 0.50 0.28 0.00 0.00 0.00 0.00 178.15 178.68 1v5i h ALA 27 N 0.69 1.65 0.00 1.87 0.00 -0.32 -1.16 119.26 121.99 1v5i h ALA 27 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1v5i h ALA 27 Cb 0.95 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1v5i h ALA 27 CO 0.09 0.32 0.00 0.93 0.00 0.00 0.00 179.25 180.58 1v5i h GLU 28 N 0.62 0.00 0.00 0.00 4.39 -0.94 -3.46 114.58 115.18 1v5i h GLU 28 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 1v5i h GLU 28 Cb -0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1v5i h GLU 28 CO -0.03 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.23 1v5i n GLY 29 N 0.59 1.57 0.00 -3.84 0.00 -0.44 -4.92 105.19 98.15 1v5i n GLY 29 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1v5i n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1v5i n GLY 30 N -0.05 1.49 3.16 -0.02 0.00 0.92 -4.79 105.19 105.90 1v5i n GLY 30 Ca 0.00 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 1v5i n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v5i s THR 31 N 0.83 0.17 -0.22 2.61 -4.23 -0.04 -4.23 115.64 110.52 1v5i s THR 31 Ca 0.00 -1.91 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 1v5i s THR 31 Cb 0.00 -2.03 0.05 0.00 1.34 0.00 0.00 72.50 71.86 1v5i s THR 31 CO 0.00 -0.49 -0.08 -0.63 -0.54 0.00 0.00 174.62 172.88 1v5i s ILE 32 N -4.00 1.68 -0.54 2.99 -1.09 -1.26 -2.84 121.20 116.13 1v5i s ILE 32 Ca 0.23 -1.20 0.16 0.00 -2.23 0.00 0.00 60.65 57.61 1v5i s ILE 32 Cb 0.07 -1.84 -0.20 0.00 -1.58 0.00 0.00 42.46 38.91 1v5i s ILE 32 CO 0.01 0.02 0.59 0.35 -1.23 0.00 0.00 174.94 174.69 1v5i n THR 33 N 4.64 0.00 -3.53 2.92 -2.24 0.80 -4.96 114.28 111.91 1v5i n THR 33 Ca -0.13 -0.20 -0.18 0.00 -2.27 0.00 0.00 64.05 61.27 1v5i n THR 33 Cb 0.45 0.73 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 1v5i n THR 33 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1v5i s ASN 34 N -2.96 -0.66 0.00 3.42 0.01 -1.13 -4.95 114.94 108.67 1v5i s ASN 34 Ca 0.02 0.78 0.03 0.00 -0.71 0.00 0.00 52.86 52.99 1v5i s ASN 34 Cb 0.12 0.63 -0.01 0.00 0.41 0.00 0.00 41.25 42.40 1v5i s ASN 34 CO 0.68 -0.57 -0.10 -1.61 -1.51 0.00 0.00 177.10 173.99 1v5i s GLU 35 N -1.03 0.74 -0.10 -0.60 2.02 -1.26 -0.73 118.70 117.73 1v5i s GLU 35 Ca -0.10 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 54.50 1v5i s GLU 35 Cb -0.01 -0.70 0.00 0.00 0.10 0.00 0.00 34.13 33.52 1v5i s GLU 35 CO 0.09 0.19 -0.23 0.71 0.02 0.00 0.00 175.26 176.03 1v5i s TYR 36 N -0.42 2.50 -0.40 1.61 1.51 0.29 -4.95 117.35 117.50 1v5i s TYR 36 Ca 0.02 -1.02 0.06 0.00 -1.01 0.00 0.00 57.07 55.12 1v5i s TYR 36 Cb -0.05 -1.68 0.21 0.00 -0.11 0.00 0.00 41.96 40.34 1v5i s TYR 36 CO -0.00 -0.41 0.45 -1.71 -1.11 0.00 0.00 175.55 172.76 1v5i n ASN 37 N 3.53 -0.27 -4.57 2.29 4.05 -1.26 -1.61 115.26 117.44 1v5i n ASN 37 Ca -0.19 -2.56 -0.26 0.00 0.45 0.00 0.00 54.58 52.02 1v5i n ASN 37 Cb 0.53 -0.50 -0.09 0.00 1.23 0.00 0.00 39.78 40.94 1v5i n ASN 37 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 1v5i s MET 38 N -0.53 2.04 0.07 1.20 -1.94 -0.36 -5.02 119.30 114.75 1v5i s MET 38 Ca 0.34 -1.37 -0.31 0.00 -1.71 0.00 0.00 55.69 52.64 1v5i s MET 38 Cb 0.11 -2.10 -0.09 0.00 2.01 0.00 0.00 34.83 34.76 1v5i s MET 38 CO -0.15 0.41 1.74 -1.25 -0.01 0.00 0.00 175.02 175.75 1v5i s PRO 39 N -3.07 4.17 0.00 2.03 0.04 -1.26 -1.21 135.00 135.70 1v5i s PRO 39 Ca 0.26 2.42 0.00 0.00 0.04 0.00 0.00 61.00 63.73 1v5i s PRO 39 Cb -0.08 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.75 1v5i s PRO 39 CO 0.16 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 176.80 1v5i n GLY 40 N 4.14 0.89 2.90 0.56 0.00 -1.26 -4.97 105.19 107.45 1v5i n GLY 40 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1v5i n GLY 40 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1v5i s MET 41 N -0.13 0.46 -0.00 1.61 -2.45 -0.35 -4.93 119.30 113.50 1v5i s MET 41 Ca 0.00 -0.02 0.07 0.00 -1.25 0.00 0.00 55.69 54.49 1v5i s MET 41 Cb 0.00 -0.35 -0.02 0.00 1.25 0.00 0.00 34.83 35.71 1v5i s MET 41 CO 0.00 -1.06 -0.23 0.15 1.05 0.00 0.00 175.02 174.93 1v5i s LYS 42 N 2.37 1.79 0.00 4.11 1.02 -1.26 -1.23 119.74 126.54 1v5i s LYS 42 Ca 0.11 -0.87 0.00 0.00 0.02 0.00 0.00 55.97 55.23 1v5i s LYS 42 Cb -0.12 -1.78 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1v5i s LYS 42 CO -0.26 0.48 0.00 0.41 -0.92 0.00 0.00 175.35 175.06 1v5i n GLY 43 N 2.34 -0.76 3.81 -3.33 0.00 -0.63 -0.54 105.19 106.08 1v5i n GLY 43 Ca -0.16 -0.70 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 1v5i n GLY 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1v5i s PHE 44 N -3.00 -0.12 0.09 1.61 -0.12 0.28 -0.54 117.98 116.18 1v5i s PHE 44 Ca 0.00 -0.29 0.04 0.00 -0.05 0.00 0.00 56.93 56.62 1v5i s PHE 44 Cb 0.00 0.69 -0.03 0.00 -0.63 0.00 0.00 43.02 43.05 1v5i s PHE 44 CO 0.00 -1.07 -0.10 0.00 -0.05 0.00 0.00 175.22 174.00 1v5i s ALA 45 N -3.37 1.04 0.00 1.99 0.00 0.09 -0.31 121.76 121.20 1v5i s ALA 45 Ca 0.13 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1v5i s ALA 45 Cb -0.04 0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1v5i s ALA 45 CO 0.05 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1v5i n GLY 46 N 0.76 -0.76 3.75 0.00 0.00 -0.67 -0.14 105.19 108.13 1v5i n GLY 46 Ca -0.18 -1.20 -0.39 0.00 0.00 0.00 0.00 46.02 44.25 1v5i n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v5i s GLU 47 N -2.00 4.40 -0.03 1.61 2.02 -1.13 -1.05 118.70 122.52 1v5i s GLU 47 Ca 0.00 0.86 0.07 0.00 0.02 0.00 0.00 54.97 55.91 1v5i s GLU 47 Cb 0.00 -3.37 -0.02 0.00 0.10 0.00 0.00 34.13 30.83 1v5i s GLU 47 CO 0.00 0.27 -0.23 -0.51 0.02 0.00 0.00 175.26 174.81 1v5i s LEU 48 N 0.09 2.24 0.71 1.80 1.43 -0.72 -0.86 118.68 123.38 1v5i s LEU 48 Ca 0.35 -0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 1v5i s LEU 48 Cb -0.19 -1.40 0.02 0.00 0.03 0.00 0.00 46.19 44.65 1v5i s LEU 48 CO 0.19 0.33 1.07 0.42 0.23 0.00 0.00 176.35 178.58 1v5i s THR 49 N -0.64 3.86 0.24 5.49 -4.23 -1.26 0.47 115.64 119.57 1v5i s THR 49 Ca 0.10 0.60 -0.05 0.00 -1.18 0.00 0.00 61.69 61.17 1v5i s THR 49 Cb -0.10 -3.39 0.22 0.00 1.34 0.00 0.00 72.50 70.56 1v5i s THR 49 CO -0.01 -0.79 1.84 -0.65 -0.54 0.00 0.00 174.62 174.47 1v5i h PRO 50 N -0.75 0.89 -0.31 3.99 0.11 -1.95 -1.73 132.00 132.26 1v5i h PRO 50 Ca -0.45 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1v5i h PRO 50 Cb 1.22 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1v5i h PRO 50 CO 0.58 0.59 0.15 -0.56 -0.21 0.00 0.00 178.00 178.55 1v5i h GLN 51 N 0.92 0.42 -0.11 1.05 -0.00 -1.99 -0.69 115.11 114.71 1v5i h GLN 51 Ca 0.38 -0.04 -0.17 0.00 -0.00 0.00 0.00 58.65 58.82 1v5i h GLN 51 Cb 0.24 -0.09 0.01 0.00 -0.00 0.00 0.00 27.48 27.64 1v5i h GLN 51 CO -0.20 0.33 -0.61 0.77 -0.00 0.00 0.00 178.83 179.13 1v5i h SER 52 N 0.43 0.72 0.06 0.06 0.02 -1.74 -2.26 113.55 110.84 1v5i h SER 52 Ca 0.11 -0.65 0.01 0.00 -0.84 0.00 0.00 61.79 60.42 1v5i h SER 52 Cb 0.05 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1v5i h SER 52 CO -0.02 1.25 -0.10 0.25 -1.14 0.00 0.00 176.83 177.08 1v5i h LEU 53 N 0.23 -0.28 -1.08 5.07 5.85 -0.74 -0.94 115.31 123.42 1v5i h LEU 53 Ca -0.05 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1v5i h LEU 53 Cb 1.25 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.37 1v5i h LEU 53 CO 0.12 -0.15 -0.18 0.71 -0.34 0.00 0.00 178.44 178.60 1v5i h THR 54 N -0.20 1.24 -0.21 1.05 1.35 -1.22 -0.92 112.91 114.00 1v5i h THR 54 Ca 0.02 -1.10 -0.01 0.00 -0.55 0.00 0.00 66.41 64.77 1v5i h THR 54 Cb 0.22 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1v5i h THR 54 CO -0.06 0.35 0.09 0.50 -0.25 0.00 0.00 175.52 176.16 1v5i h LYS 55 N 0.40 0.30 -0.71 4.72 3.64 -1.05 -0.10 116.57 123.77 1v5i h LYS 55 Ca 0.07 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1v5i h LYS 55 Cb 0.55 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1v5i h LYS 55 CO 0.04 0.34 0.18 0.74 -2.27 0.00 0.00 179.45 178.48 1v5i h PHE 56 N 0.20 1.17 -0.58 1.91 0.05 -0.92 -0.74 116.94 118.02 1v5i h PHE 56 Ca 0.07 -0.13 -0.06 0.00 3.82 0.00 0.00 57.97 61.67 1v5i h PHE 56 Cb 0.14 -0.33 -0.03 0.00 2.00 0.00 0.00 35.95 37.73 1v5i h PHE 56 CO -0.02 0.94 0.14 1.96 -0.18 0.00 0.00 178.31 181.15 1v5i h GLN 57 N 1.07 0.91 0.00 1.51 4.20 -0.96 -2.17 115.11 119.67 1v5i h GLN 57 Ca 0.22 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 1v5i h GLN 57 Cb 0.35 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1v5i h GLN 57 CO -0.00 0.82 -0.43 0.78 -0.67 0.00 0.00 178.83 179.33 1v5i h GLY 58 N 1.01 0.00 -1.77 3.46 0.00 -0.49 -2.87 103.07 102.42 1v5i h GLY 58 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1v5i h GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1v5i n LEU 59 N -3.73 2.60 -4.72 3.11 4.77 -0.33 -4.91 117.00 113.78 1v5i n LEU 59 Ca -0.01 -1.31 -0.42 0.00 -0.03 0.00 0.00 56.01 54.24 1v5i n LEU 59 Cb 0.50 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 1v5i n LEU 59 CO 0.38 0.48 1.38 -1.58 -1.33 0.00 0.00 177.39 176.73 1v5i s GLN 60 N -1.65 4.13 0.00 3.23 2.00 -1.04 -1.21 119.66 125.11 1v5i s GLN 60 Ca 0.27 2.60 0.00 0.00 -2.00 0.00 0.00 55.36 56.22 1v5i s GLN 60 Cb 0.17 -3.16 0.00 0.00 0.80 0.00 0.00 33.01 30.82 1v5i s GLN 60 CO 0.14 -0.76 0.00 0.41 -0.50 0.00 0.00 175.29 174.58 1v5i n GLY 61 N 4.01 1.43 0.10 2.59 0.00 0.48 -4.86 105.19 108.94 1v5i n GLY 61 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1v5i n GLY 61 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1v5i n ASP 62 N 0.00 0.00 0.01 1.61 4.64 -0.35 -4.89 116.55 117.56 1v5i n ASP 62 Ca 0.00 0.00 -0.14 0.00 -1.38 0.00 0.00 54.79 53.27 1v5i n ASP 62 Cb 0.00 -0.02 -0.14 0.00 -1.04 0.00 0.00 41.12 39.92 1v5i n ASP 62 CO 0.00 0.00 0.00 0.25 -0.82 0.00 0.00 177.20 176.63 1v5i h LEU 63 N 0.00 0.22 -9.09 -2.67 5.85 -1.68 -3.43 115.31 104.51 1v5i h LEU 63 Ca 0.00 -0.42 -0.64 0.00 0.84 0.00 0.00 57.88 57.65 1v5i h LEU 63 Cb 0.00 -0.07 -0.17 0.00 0.37 0.00 0.00 40.66 40.79 1v5i h LEU 63 CO 0.00 1.37 -0.61 -0.63 -0.34 0.00 0.00 178.44 178.23 1v5i s ILE 64 N -2.59 4.37 -0.10 4.05 -1.09 -0.90 -1.78 121.20 123.17 1v5i s ILE 64 Ca -0.11 -0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.09 1v5i s ILE 64 Cb 0.07 -2.91 -0.26 0.00 -1.58 0.00 0.00 42.46 37.78 1v5i s ILE 64 CO 0.81 0.52 0.46 -0.78 -1.23 0.00 0.00 174.94 174.72 1v5i h ASP 65 N 6.16 0.33 -4.69 3.58 3.58 -0.54 0.14 116.42 124.98 1v5i h ASP 65 Ca -0.40 -0.73 -0.05 0.00 0.42 0.00 0.00 57.03 56.27 1v5i h ASP 65 Cb 1.18 -0.11 -0.20 0.00 1.72 0.00 0.00 39.33 41.93 1v5i h ASP 65 CO 0.63 1.65 0.19 -0.94 -2.88 0.00 0.00 179.24 177.89 1v5i s SER 66 N -6.83 -0.67 -0.05 2.28 1.04 -1.00 -4.79 113.70 103.67 1v5i s SER 66 Ca -0.18 0.91 -0.02 0.00 0.48 0.00 0.00 55.95 57.14 1v5i s SER 66 Cb 0.07 0.78 0.04 0.00 0.10 0.00 0.00 66.02 67.01 1v5i s SER 66 CO 0.79 -0.50 0.11 -0.51 0.98 0.00 0.00 173.24 174.10 1v5i s ILE 67 N -0.76 -0.12 0.13 -1.02 2.07 -1.26 -0.93 121.20 119.32 1v5i s ILE 67 Ca -0.08 0.28 -0.08 0.00 -1.41 0.00 0.00 60.65 59.36 1v5i s ILE 67 Cb -0.01 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.37 1v5i s ILE 67 CO 0.07 0.11 0.22 -1.83 -1.91 0.00 0.00 174.94 171.61 1v5i s GLU 68 N 1.60 1.01 0.45 3.50 -1.05 -0.70 -4.99 118.70 118.53 1v5i s GLU 68 Ca -0.04 -1.12 -0.22 0.00 -0.15 0.00 0.00 54.97 53.43 1v5i s GLU 68 Cb -0.12 0.35 -0.08 0.00 -0.44 0.00 0.00 34.13 33.84 1v5i s GLU 68 CO -0.05 -0.35 1.10 -1.21 0.95 0.00 0.00 175.26 175.71 1v5i s GLU 69 N -3.94 3.86 -0.64 -4.83 2.02 -1.26 -0.49 118.70 113.42 1v5i s GLU 69 Ca 0.13 1.60 -0.25 0.00 0.02 0.00 0.00 54.97 56.47 1v5i s GLU 69 Cb 0.04 -2.36 0.04 0.00 0.10 0.00 0.00 34.13 31.96 1v5i s GLU 69 CO -0.04 -0.43 1.09 0.34 0.02 0.00 0.00 175.26 176.25 1v5i s ASP 70 N -1.57 6.27 0.90 -0.19 -1.08 -0.05 -4.67 116.67 116.28 1v5i s ASP 70 Ca 0.63 -0.45 -0.14 0.00 -0.52 0.00 0.00 52.55 52.07 1v5i s ASP 70 Cb -0.24 -2.49 0.15 0.00 -1.46 0.00 0.00 42.92 38.88 1v5i s ASP 70 CO 0.29 -1.51 1.25 -1.00 0.52 0.00 0.00 175.17 174.73 1v5i s HIS 71 N 4.69 2.20 -0.06 -5.34 3.76 -1.26 -4.93 115.29 114.35 1v5i s HIS 71 Ca 0.32 0.52 0.05 0.00 -0.15 0.00 0.00 55.06 55.81 1v5i s HIS 71 Cb -0.11 -3.82 -0.01 0.00 1.11 0.00 0.00 32.58 29.74 1v5i s HIS 71 CO 0.17 -2.28 -0.23 0.08 -0.85 0.00 0.00 174.74 171.63 1v5i s VAL 72 N -3.73 2.26 0.23 -0.90 1.01 -1.26 -5.13 120.40 112.88 1v5i s VAL 72 Ca 0.68 -0.99 0.09 0.00 0.00 0.00 0.00 61.98 61.76 1v5i s VAL 72 Cb -0.07 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1v5i s VAL 72 CO 0.51 0.57 -0.01 0.00 0.00 0.00 0.00 175.10 176.17 1v5i s ALA 73 N -0.23 3.14 0.09 5.51 0.00 -1.26 -5.14 121.76 123.88 1v5i s ALA 73 Ca -0.01 -1.55 0.03 0.00 0.00 0.00 0.00 51.96 50.43 1v5i s ALA 73 Cb -0.13 -0.83 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 1v5i s ALA 73 CO 0.03 0.35 -0.09 -1.01 0.00 0.00 0.00 175.76 175.04 1v5i s HIS 74 N -2.08 1.00 -1.24 0.00 3.76 -1.26 -5.05 115.29 110.42 1v5i s HIS 74 Ca 0.29 -0.70 -0.05 0.00 -0.15 0.00 0.00 55.06 54.46 1v5i s HIS 74 Cb -0.07 -0.55 0.15 0.00 1.11 0.00 0.00 32.58 33.21 1v5i s HIS 74 CO 0.19 -0.03 2.30 0.00 -0.85 0.00 0.00 174.74 176.35 1v5i n ALA 75 N 0.49 6.67 -1.08 -1.40 0.00 -1.26 -5.38 120.51 118.55 1v5i n ALA 75 Ca -0.16 -4.13 0.00 0.00 0.00 0.00 0.00 53.44 49.15 1v5i n ALA 75 Cb 0.58 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.39 1v5i n ALA 75 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98