#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vku s HIS -1 N 0.00 3.51 -0.99 4.41 5.04 -1.26 -5.15 115.29 120.85 1vku s HIS -1 Ca 0.00 -1.90 -0.25 0.00 -1.54 0.00 0.00 55.06 51.37 1vku s HIS -1 Cb 0.00 -4.15 -0.17 0.00 0.04 0.00 0.00 32.58 28.30 1vku s HIS -1 CO 0.00 -1.30 1.95 0.72 -2.34 0.00 0.00 174.74 173.77 1vku n HIS 0 N 5.30 1.85 0.00 3.88 -0.00 -1.26 -4.93 115.22 120.06 1vku n HIS 0 Ca 0.26 -1.06 0.00 0.00 -0.00 0.00 0.00 57.72 56.92 1vku n HIS 0 Cb 0.45 -2.32 0.00 0.00 -0.00 0.00 0.00 29.99 28.12 1vku n HIS 0 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1vku n GLU 2 N 8.03 0.00 -0.03 -0.41 0.28 -1.26 -4.99 120.64 122.25 1vku n GLU 2 Ca 0.45 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 57.31 1vku n GLU 2 Cb 0.45 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.23 1vku n GLU 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1vku h ARG 3 N 0.00 0.21 -0.79 3.44 3.08 -1.98 -2.22 114.38 116.11 1vku h ARG 3 Ca 0.00 -0.14 0.13 0.00 0.07 0.00 0.00 59.98 60.04 1vku h ARG 3 Cb 0.00 0.02 -0.09 0.00 0.08 0.00 0.00 29.97 29.98 1vku h ARG 3 CO 0.00 0.75 0.37 -0.22 -1.07 0.00 0.00 179.97 179.80 1vku h LYS 4 N -0.31 0.54 -0.32 0.04 3.64 -1.99 0.62 116.57 118.79 1vku h LYS 4 Ca -0.00 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1vku h LYS 4 Cb 0.76 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1vku h LYS 4 CO 0.03 0.36 0.01 0.87 -2.27 0.00 0.00 179.45 178.45 1vku h LYS 5 N 0.56 0.56 -0.13 1.90 1.57 -1.93 -1.01 116.57 118.09 1vku h LYS 5 Ca 0.42 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.91 1vku h LYS 5 Cb 0.58 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1vku h LYS 5 CO -0.36 0.69 -0.43 -0.07 -0.57 0.00 0.00 179.45 178.71 1vku h LEU 6 N 0.36 0.31 -0.63 2.94 3.38 -0.95 -0.20 115.31 120.51 1vku h LEU 6 Ca 0.09 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1vku h LEU 6 Cb 0.43 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1vku h LEU 6 CO 0.01 0.71 0.15 0.40 0.09 0.00 0.00 178.44 179.81 1vku h ILE 7 N 0.24 1.25 -0.54 1.22 2.04 -0.81 -0.38 117.51 120.54 1vku h ILE 7 Ca 0.02 -0.93 -0.06 0.00 1.00 0.00 0.00 64.86 64.89 1vku h ILE 7 Cb 0.87 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1vku h ILE 7 CO 0.07 0.35 0.09 0.00 0.00 0.00 0.00 178.15 178.66 1vku h ALA 8 N 1.05 1.14 -0.25 1.87 0.00 -0.76 -0.41 119.26 121.91 1vku h ALA 8 Ca 0.20 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1vku h ALA 8 Cb 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1vku h ALA 8 CO 0.00 0.57 -0.01 -0.22 0.00 0.00 0.00 179.25 179.59 1vku h LYS 9 N 0.82 0.46 -0.45 0.00 1.63 -0.84 -1.67 116.57 116.51 1vku h LYS 9 Ca 0.17 -0.15 0.09 0.00 -0.85 0.00 0.00 60.65 59.91 1vku h LYS 9 Cb 0.36 -0.04 -0.09 0.00 -0.60 0.00 0.00 32.23 31.86 1vku h LYS 9 CO 0.01 0.64 -0.13 0.35 -3.45 0.00 0.00 179.45 176.87 1vku h PHE 10 N 0.23 -0.28 -0.88 1.91 3.57 -0.74 0.16 116.94 120.91 1vku h PHE 10 Ca 0.07 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 1vku h PHE 10 Cb 0.44 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.33 1vku h PHE 10 CO 0.04 -0.21 0.52 0.28 -2.23 0.00 0.00 178.31 176.70 1vku h VAL 11 N -0.02 1.25 -0.26 1.41 2.07 -0.90 -0.52 116.25 119.28 1vku h VAL 11 Ca 0.22 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1vku h VAL 11 Cb 0.35 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1vku h VAL 11 CO -0.48 0.27 -0.09 -0.08 0.02 0.00 0.00 177.57 177.21 1vku h GLU 12 N 1.22 0.52 -0.31 1.57 4.81 -0.68 -1.42 114.58 120.28 1vku h GLU 12 Ca 0.31 -0.21 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1vku h GLU 12 Cb -0.02 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1vku h GLU 12 CO -0.06 0.75 0.11 0.82 -0.73 0.00 0.00 179.01 179.91 1vku h ILE 13 N 0.25 1.19 -0.86 2.32 2.04 -0.85 0.39 117.51 121.99 1vku h ILE 13 Ca 0.06 -0.61 0.08 0.00 1.00 0.00 0.00 64.86 65.40 1vku h ILE 13 Cb 0.58 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.61 1vku h ILE 13 CO 0.03 0.21 0.52 0.00 0.00 0.00 0.00 178.15 178.91 1vku h ALA 14 N 0.95 1.23 -0.00 1.87 0.00 -0.98 0.77 119.26 123.09 1vku h ALA 14 Ca 0.10 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1vku h ALA 14 Cb 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1vku h ALA 14 CO -0.01 0.19 -0.18 1.03 0.00 0.00 0.00 179.25 180.29 1vku h SER 15 N 0.89 0.16 0.20 0.00 0.87 -0.97 -0.73 113.55 113.98 1vku h SER 15 Ca 0.40 -0.77 -0.29 0.00 -1.23 0.00 0.00 61.79 59.90 1vku h SER 15 Cb 0.30 -0.05 0.03 0.00 -0.44 0.00 0.00 62.40 62.24 1vku h SER 15 CO -0.22 0.91 -1.34 -0.33 -0.53 0.00 0.00 176.83 175.33 1vku h GLU 16 N -0.57 0.42 -0.52 2.24 5.08 -0.10 -2.99 114.58 118.14 1vku h GLU 16 Ca -0.02 -0.72 0.00 0.00 -1.00 0.00 0.00 59.36 57.62 1vku h GLU 16 Cb 0.94 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1vku h GLU 16 CO 0.04 1.35 0.00 1.63 -1.00 0.00 0.00 179.01 181.02 1vku n LYS 17 N -3.83 2.33 -0.40 2.33 4.76 0.25 -5.06 118.16 118.54 1vku n LYS 17 Ca -0.18 -1.58 -0.01 0.00 -2.87 0.00 0.00 58.31 53.66 1vku n LYS 17 Cb 1.00 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.68 1vku n LYS 17 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vku n GLY 19 N 0.93 -0.08 3.25 0.72 0.00 -0.48 -5.04 105.19 104.49 1vku n GLY 19 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1vku n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vku s LYS 20 N 0.00 3.23 -0.34 1.61 1.02 -0.40 -4.97 119.74 119.88 1vku s LYS 20 Ca 0.00 -0.72 -0.16 0.00 0.02 0.00 0.00 55.97 55.11 1vku s LYS 20 Cb 0.00 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 34.53 1vku s LYS 20 CO 0.00 -0.12 0.40 0.34 -0.92 0.00 0.00 175.35 175.05 1vku s ASP 21 N 1.18 6.21 -0.19 2.83 2.15 -1.26 -2.54 116.67 125.05 1vku s ASP 21 Ca 0.02 -0.19 0.09 0.00 0.43 0.00 0.00 52.55 52.90 1vku s ASP 21 Cb -0.14 -2.21 -0.18 0.00 -0.30 0.00 0.00 42.92 40.08 1vku s ASP 21 CO -0.05 -0.37 -0.06 0.18 -0.17 0.00 0.00 175.17 174.70 1vku n LEU 22 N 5.47 1.34 0.00 -1.34 4.77 -1.26 -5.03 117.00 120.94 1vku n LEU 22 Ca -0.08 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1vku n LEU 22 Cb 0.49 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 1vku n LEU 22 CO 0.41 0.63 0.00 1.21 -1.33 0.00 0.00 177.39 178.31 1vku n GLU 23 N -2.87 0.00 -3.54 3.23 4.07 -1.26 -4.56 120.64 115.71 1vku n GLU 23 Ca -0.33 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.36 1vku n GLU 23 Cb 1.00 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 32.32 1vku n GLU 23 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1vku s THR 24 N 0.00 4.56 -0.06 6.31 2.01 -1.26 -5.05 115.64 122.15 1vku s THR 24 Ca 0.00 -2.75 -0.26 0.00 0.31 0.00 0.00 61.69 59.00 1vku s THR 24 Cb 0.00 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1vku s THR 24 CO 0.00 -0.95 0.80 -0.69 -0.69 0.00 0.00 174.62 173.10 1vku s VAL 25 N 0.03 4.97 -0.20 3.82 1.01 -1.26 -5.06 120.40 123.71 1vku s VAL 25 Ca 0.17 1.66 -0.11 0.00 0.00 0.00 0.00 61.98 63.70 1vku s VAL 25 Cb -0.16 -4.14 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 1vku s VAL 25 CO -0.06 0.19 0.16 -0.62 0.00 0.00 0.00 175.10 174.77 1vku s ASP 26 N 0.91 6.24 0.57 3.32 -1.08 -1.26 -5.00 116.67 120.37 1vku s ASP 26 Ca 0.42 0.26 0.33 0.00 -0.52 0.00 0.00 52.55 53.04 1vku s ASP 26 Cb -0.19 -2.11 1.45 0.00 -1.46 0.00 0.00 42.92 40.62 1vku s ASP 26 CO 0.20 0.15 1.76 -0.33 0.52 0.00 0.00 175.17 177.48 1vku h GLU 27 N 6.76 0.00 0.00 4.34 5.08 -1.97 -1.87 114.58 126.93 1vku h GLU 27 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1vku h GLU 27 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1vku h GLU 27 CO 0.75 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 179.15 1vku n GLU 28 N -3.91 0.24 -1.90 2.33 -0.58 -1.26 -0.24 120.64 115.32 1vku n GLU 28 Ca 0.20 0.20 -0.41 0.00 -0.42 0.00 0.00 57.16 56.73 1vku n GLU 28 Cb 1.12 -1.78 -0.01 0.00 -0.57 0.00 0.00 31.44 30.21 1vku n GLU 28 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1vku s ASN 29 N -4.38 6.47 0.53 1.62 0.02 -0.70 -4.83 114.94 113.66 1vku s ASN 29 Ca 0.11 2.93 -0.17 0.00 -1.02 0.00 0.00 52.86 54.71 1vku s ASN 29 Cb 0.13 -2.66 -0.07 0.00 0.02 0.00 0.00 41.25 38.67 1vku s ASN 29 CO 0.59 -0.78 1.01 0.42 0.02 0.00 0.00 177.10 178.37 1vku s THR 30 N -1.00 4.15 0.35 1.60 -4.23 -1.26 -1.16 115.64 114.08 1vku s THR 30 Ca 0.53 1.11 0.05 0.00 -1.18 0.00 0.00 61.69 62.20 1vku s THR 30 Cb -0.45 -3.55 0.17 0.00 1.34 0.00 0.00 72.50 70.02 1vku s THR 30 CO 0.59 -0.51 1.90 -0.26 -0.54 0.00 0.00 174.62 175.80 1vku h PHE 31 N 0.98 0.52 -0.06 3.99 0.04 -1.30 -2.38 116.94 118.73 1vku h PHE 31 Ca -0.47 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.26 1vku h PHE 31 Cb 1.20 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 1vku h PHE 31 CO 0.61 0.50 -0.02 -0.22 -0.60 0.00 0.00 178.31 178.57 1vku h LYS 32 N 0.49 -0.01 0.00 1.51 3.64 -1.78 0.99 116.57 121.41 1vku h LYS 32 Ca 0.11 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1vku h LYS 32 Cb 0.28 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1vku h LYS 32 CO 0.01 -0.01 -0.19 1.05 -2.27 0.00 0.00 179.45 178.04 1vku h GLU 33 N -0.01 0.00 0.00 1.90 4.11 -1.81 -1.19 114.58 117.57 1vku h GLU 33 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1vku h GLU 33 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1vku h GLU 33 CO -0.07 0.19 0.00 1.28 0.07 0.00 0.00 179.01 180.48 1vku n LEU 34 N -3.85 0.00 0.00 3.06 4.77 -0.62 -4.88 117.00 115.48 1vku n LEU 34 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1vku n LEU 34 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1vku n LEU 34 CO 0.33 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1vku n GLY 35 N 0.71 0.47 3.65 -0.72 0.00 -0.45 -5.06 105.19 103.79 1vku n GLY 35 Ca 0.20 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 1vku n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vku s PHE 36 N -2.00 3.31 0.29 1.61 0.40 0.24 -5.00 117.98 116.84 1vku s PHE 36 Ca 0.00 0.21 -0.01 0.00 -0.60 0.00 0.00 56.93 56.53 1vku s PHE 36 Cb 0.00 -2.27 0.06 0.00 0.51 0.00 0.00 43.02 41.32 1vku s PHE 36 CO 0.00 0.06 0.40 -0.40 0.70 0.00 0.00 175.22 175.98 1vku n ASP 37 N 4.29 0.48 -0.03 1.36 5.75 -1.26 -3.64 116.55 123.50 1vku n ASP 37 Ca -0.15 -1.42 -0.02 0.00 -0.01 0.00 0.00 54.79 53.20 1vku n ASP 37 Cb 0.52 -0.26 0.25 0.00 -1.03 0.00 0.00 41.12 40.60 1vku n ASP 37 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 1vku h SER 38 N -0.27 0.57 -0.13 -1.12 4.64 -1.99 -1.00 113.55 114.24 1vku h SER 38 Ca -0.13 -0.12 -0.17 0.00 -0.47 0.00 0.00 61.79 60.90 1vku h SER 38 Cb 0.47 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1vku h SER 38 CO 0.14 0.65 -0.52 0.40 -0.87 0.00 0.00 176.83 176.62 1vku h ILE 39 N 0.57 1.30 -0.69 0.95 2.04 -1.99 -2.48 117.51 117.21 1vku h ILE 39 Ca 0.12 -1.74 -0.08 0.00 1.00 0.00 0.00 64.86 64.16 1vku h ILE 39 Cb 0.38 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 1vku h ILE 39 CO 0.01 0.55 0.13 0.44 0.00 0.00 0.00 178.15 179.29 1vku h ASP 40 N 0.55 1.08 -0.51 1.72 3.32 -1.70 -1.77 116.42 119.10 1vku h ASP 40 Ca 0.02 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1vku h ASP 40 Cb 1.09 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 1vku h ASP 40 CO 0.11 1.05 0.34 0.58 -1.72 0.00 0.00 179.24 179.60 1vku h VAL 41 N 1.05 1.13 -0.47 -1.35 2.07 -1.08 0.61 116.25 118.22 1vku h VAL 41 Ca 0.21 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1vku h VAL 41 Cb 0.42 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1vku h VAL 41 CO 0.01 0.13 0.24 0.40 0.02 0.00 0.00 177.57 178.36 1vku h ILE 42 N 0.69 0.96 -0.05 4.57 2.04 -1.24 -0.14 117.51 124.35 1vku h ILE 42 Ca 0.19 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.88 1vku h ILE 42 Cb -0.08 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1vku h ILE 42 CO -0.04 0.09 0.02 0.44 0.00 0.00 0.00 178.15 178.66 1vku h ASP 43 N 0.47 0.08 -0.68 1.72 3.32 -1.06 -2.84 116.42 117.43 1vku h ASP 43 Ca 0.20 -0.17 0.13 0.00 0.02 0.00 0.00 57.03 57.22 1vku h ASP 43 Cb 0.11 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 39.55 1vku h ASP 43 CO -0.14 0.22 0.19 0.25 -1.72 0.00 0.00 179.24 178.04 1vku h LEU 44 N -0.08 0.09 -1.56 1.55 5.85 -0.73 -0.92 115.31 119.52 1vku h LEU 44 Ca 0.02 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1vku h LEU 44 Cb 0.17 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1vku h LEU 44 CO -0.00 0.03 0.00 0.52 -0.34 0.00 0.00 178.44 178.65 1vku n VAL 45 N -5.09 0.14 0.00 1.05 0.31 -0.08 -1.51 118.33 113.15 1vku n VAL 45 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 1vku n VAL 45 Cb 0.38 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 1vku n VAL 45 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1vku n PHE 47 N 0.65 0.00 -0.26 3.52 3.72 -0.35 -0.30 117.46 124.44 1vku n PHE 47 Ca 0.00 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.35 1vku n PHE 47 Cb 0.10 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.70 1vku n PHE 47 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 176.76 177.45 1vku h PHE 48 N 0.00 0.96 -0.66 1.38 0.04 -1.54 -1.38 116.94 115.74 1vku h PHE 48 Ca 0.00 -0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.85 1vku h PHE 48 Cb 0.00 -0.32 -0.07 0.00 2.20 0.00 0.00 35.95 37.77 1vku h PHE 48 CO 0.00 0.65 0.31 0.93 -0.60 0.00 0.00 178.31 179.60 1vku h GLU 49 N 0.99 0.52 -0.09 1.51 5.08 -0.92 -0.76 114.58 120.91 1vku h GLU 49 Ca 0.26 -0.03 -0.24 0.00 -1.00 0.00 0.00 59.36 58.35 1vku h GLU 49 Cb -0.02 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.12 1vku h GLU 49 CO -0.05 0.34 -0.87 0.22 -1.00 0.00 0.00 179.01 177.65 1vku h ASP 50 N 0.53 0.88 -0.26 1.42 3.58 -1.77 0.17 116.42 120.96 1vku h ASP 50 Ca 0.33 -0.62 -0.08 0.00 0.42 0.00 0.00 57.03 57.08 1vku h ASP 50 Cb 0.35 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 1vku h ASP 50 CO -0.27 1.42 -0.08 -0.33 -2.88 0.00 0.00 179.24 177.10 1vku h GLU 51 N 0.46 0.65 -0.20 0.28 4.39 -0.93 -3.20 114.58 116.02 1vku h GLU 51 Ca -0.08 -0.19 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1vku h GLU 51 Cb 1.50 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.09 1vku h GLU 51 CO 0.17 0.73 0.00 1.19 -1.16 0.00 0.00 179.01 179.94 1vku n PHE 52 N -4.20 0.27 -3.75 4.33 3.72 -0.32 -4.99 117.46 112.52 1vku n PHE 52 Ca 0.01 -0.35 -0.23 0.00 -0.05 0.00 0.00 57.45 56.84 1vku n PHE 52 Cb 0.33 -0.02 0.02 0.00 -0.94 0.00 0.00 39.48 38.86 1vku n PHE 52 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vku n ALA 53 N 0.39 -2.08 -2.52 4.37 0.00 -0.10 -5.00 120.51 115.58 1vku n ALA 53 Ca 0.08 -0.19 -0.24 0.00 0.00 0.00 0.00 53.44 53.09 1vku n ALA 53 Cb 0.34 -2.11 -0.08 0.00 0.00 0.00 0.00 19.45 17.61 1vku n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1vku s LEU 54 N -6.70 3.09 -0.08 0.00 1.43 -0.36 -5.04 118.68 111.03 1vku s LEU 54 Ca 0.05 -0.93 0.02 0.00 -1.03 0.00 0.00 54.13 52.25 1vku s LEU 54 Cb -0.02 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.72 1vku s LEU 54 CO 0.83 -0.29 -0.14 -0.13 0.23 0.00 0.00 176.35 176.85 1vku s ARG 55 N -3.78 1.94 -0.20 1.70 3.00 -1.26 -4.67 118.95 115.68 1vku s ARG 55 Ca 0.36 -0.49 -0.01 0.00 0.00 0.00 0.00 55.73 55.60 1vku s ARG 55 Cb -0.00 -1.60 0.01 0.00 0.00 0.00 0.00 34.95 33.36 1vku s ARG 55 CO 0.21 0.02 -0.13 0.42 0.00 0.00 0.00 175.30 175.82 1vku s ILE 56 N 0.72 2.61 0.64 1.52 1.01 -1.26 -5.04 121.20 121.40 1vku s ILE 56 Ca -0.13 -0.81 -0.17 0.00 0.00 0.00 0.00 60.65 59.54 1vku s ILE 56 Cb -0.16 -2.17 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 1vku s ILE 56 CO 0.03 0.45 1.19 -1.61 0.00 0.00 0.00 174.94 175.00 1vku s GLU 57 N 1.36 2.73 0.30 2.79 0.41 -1.26 -4.85 118.70 120.18 1vku s GLU 57 Ca 0.04 1.73 0.00 0.00 -0.41 0.00 0.00 54.97 56.34 1vku s GLU 57 Cb -0.14 -1.91 0.48 0.00 -1.78 0.00 0.00 34.13 30.78 1vku s GLU 57 CO -0.08 -1.37 1.87 -0.44 -0.49 0.00 0.00 175.26 174.74 1vku h ASP 58 N 0.44 0.73 -0.88 -0.19 3.32 -1.99 -1.97 116.42 115.88 1vku h ASP 58 Ca -0.49 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.45 1vku h ASP 58 Cb 1.29 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 40.61 1vku h ASP 58 CO 0.53 0.68 0.54 1.05 -1.72 0.00 0.00 179.24 180.33 1vku h GLU 59 N 0.78 1.18 -0.44 3.56 9.09 -2.00 -2.20 114.58 124.55 1vku h GLU 59 Ca 0.18 -0.10 -0.13 0.00 0.05 0.00 0.00 59.36 59.36 1vku h GLU 59 Cb 0.21 -0.25 -0.01 0.00 -1.65 0.00 0.00 28.75 27.04 1vku h GLU 59 CO -0.01 0.82 -0.25 0.93 0.05 0.00 0.00 179.01 180.55 1vku h GLU 60 N 1.20 0.92 -0.50 1.06 5.08 -1.75 -3.07 114.58 117.52 1vku h GLU 60 Ca 0.32 -0.40 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1vku h GLU 60 Cb -0.07 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 1vku h GLU 60 CO -0.06 1.06 0.25 0.82 -1.00 0.00 0.00 179.01 180.08 1vku h ILE 61 N 0.79 0.96 0.00 3.13 2.04 -1.04 -2.62 117.51 120.76 1vku h ILE 61 Ca 0.10 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1vku h ILE 61 Cb 0.81 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1vku h ILE 61 CO 0.07 0.09 0.00 -1.54 0.00 0.00 0.00 178.15 176.77 1vku n SER 62 N -4.88 0.65 -0.16 1.72 3.41 -0.86 -1.95 113.62 111.55 1vku n SER 62 Ca 0.04 0.73 0.11 0.00 -0.26 0.00 0.00 58.87 59.49 1vku n SER 62 Cb 0.13 -0.84 -0.00 0.00 -0.26 0.00 0.00 64.21 63.24 1vku n SER 62 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vku n LYS 63 N -2.29 0.39 -2.19 4.33 5.02 -0.99 -4.93 118.16 117.50 1vku n LYS 63 Ca 0.00 -0.31 -0.42 0.00 -2.02 0.00 0.00 58.31 55.56 1vku n LYS 63 Cb 0.14 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.62 1vku n LYS 63 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1vku s ILE 64 N -2.82 3.66 0.00 -0.18 1.01 -0.82 -4.86 121.20 117.18 1vku s ILE 64 Ca 0.12 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.81 1vku s ILE 64 Cb 0.17 -3.67 0.00 0.00 0.01 0.00 0.00 42.46 38.97 1vku s ILE 64 CO 0.74 -0.01 0.00 0.54 0.00 0.00 0.00 174.94 176.21 1vku n ARG 65 N 5.47 0.00 -4.17 2.79 3.00 -1.26 -4.98 116.66 117.51 1vku n ARG 65 Ca 0.13 0.00 -0.28 0.00 -0.01 0.00 0.00 57.85 57.69 1vku n ARG 65 Cb 0.43 -0.49 -0.08 0.00 0.00 0.00 0.00 32.46 32.32 1vku n ARG 65 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1vku s LYS 66 N -1.98 2.45 0.23 5.56 1.02 -1.26 -0.83 119.74 124.93 1vku s LYS 66 Ca 0.00 -0.98 -0.14 0.00 0.02 0.00 0.00 55.97 54.86 1vku s LYS 66 Cb 0.00 -2.44 0.28 0.00 -0.52 0.00 0.00 37.83 35.15 1vku s LYS 66 CO 0.00 0.49 1.58 0.28 -0.92 0.00 0.00 175.35 176.79 1vku h VAL 67 N 2.68 0.14 -1.19 3.17 2.07 -1.15 -0.25 116.25 121.72 1vku h VAL 67 Ca -0.48 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.41 1vku h VAL 67 Cb 1.18 0.14 -0.12 0.00 -1.52 0.00 0.00 31.29 30.97 1vku h VAL 67 CO 0.58 0.00 0.76 0.50 0.02 0.00 0.00 177.57 179.43 1vku h LYS 68 N -0.04 0.20 -0.50 1.57 3.64 -0.88 0.40 116.57 120.96 1vku h LYS 68 Ca 0.35 -0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.59 1vku h LYS 68 Cb 0.59 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1vku h LYS 68 CO -0.84 0.13 -0.18 -0.44 -2.27 0.00 0.00 179.45 175.86 1vku h ASP 69 N 0.21 1.02 -0.23 4.20 3.32 -1.31 -0.07 116.42 123.55 1vku h ASP 69 Ca 0.74 -0.38 -0.18 0.00 0.02 0.00 0.00 57.03 57.22 1vku h ASP 69 Cb 2.13 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 41.40 1vku h ASP 69 CO -0.40 1.17 -0.56 0.25 -1.72 0.00 0.00 179.24 177.98 1vku h LEU 70 N 0.87 0.89 -0.57 1.55 5.85 -0.93 -2.07 115.31 120.90 1vku h LEU 70 Ca 0.12 -0.57 0.02 0.00 0.84 0.00 0.00 57.88 58.29 1vku h LEU 70 Cb 0.76 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 1vku h LEU 70 CO 0.06 1.29 0.36 0.40 -0.34 0.00 0.00 178.44 180.21 1vku h ILE 71 N 0.52 1.09 -0.41 4.05 1.08 -1.20 -1.50 117.51 121.14 1vku h ILE 71 Ca -0.01 -0.24 -0.04 0.00 -0.39 0.00 0.00 64.86 64.18 1vku h ILE 71 Cb 1.18 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 1vku h ILE 71 CO 0.12 0.13 0.11 0.44 -0.69 0.00 0.00 178.15 178.27 1vku h ASP 72 N 0.71 0.60 0.07 1.72 3.32 -0.99 -1.33 116.42 120.53 1vku h ASP 72 Ca 0.22 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vku h ASP 72 Cb -0.01 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1vku h ASP 72 CO -0.08 0.66 -0.03 0.40 -1.72 0.00 0.00 179.24 178.47 1vku h ILE 73 N 0.51 0.95 -0.05 0.35 2.04 -1.10 -1.49 117.51 118.73 1vku h ILE 73 Ca 0.13 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.96 1vku h ILE 73 Cb 0.28 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1vku h ILE 73 CO -0.00 0.01 -0.13 0.58 0.00 0.00 0.00 178.15 178.62 1vku h VAL 74 N -0.12 0.67 -0.62 1.67 2.07 -1.13 0.32 116.25 119.11 1vku h VAL 74 Ca -0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1vku h VAL 74 Cb 0.09 0.67 -0.10 0.00 -1.52 0.00 0.00 31.29 30.44 1vku h VAL 74 CO 0.02 0.00 0.07 0.40 0.02 0.00 0.00 177.57 178.07 1vku h ILE 75 N -0.19 0.56 -0.44 4.57 2.04 -1.21 0.55 117.51 123.39 1vku h ILE 75 Ca 0.06 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 65.86 1vku h ILE 75 Cb 0.27 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1vku h ILE 75 CO -0.16 0.03 0.28 0.50 0.00 0.00 0.00 178.15 178.81 1vku h LYS 76 N 0.19 0.56 -0.22 2.37 3.64 -0.65 0.16 116.57 122.61 1vku h LYS 76 Ca 0.33 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.57 1vku h LYS 76 Cb 0.52 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1vku h LYS 76 CO -0.47 0.37 -0.31 0.87 -2.27 0.00 0.00 179.45 177.63 1vku h LYS 77 N 0.58 0.45 -0.33 1.90 1.79 -0.38 -1.77 116.57 118.80 1vku h LYS 77 Ca 0.16 -0.19 -0.16 0.00 -2.18 0.00 0.00 60.65 58.29 1vku h LYS 77 Cb -0.05 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1vku h LYS 77 CO -0.04 0.72 -0.40 -0.07 -1.08 0.00 0.00 179.45 178.57 1vku h LEU 78 N 0.39 0.93 -0.15 2.94 3.38 -0.54 -2.03 115.31 120.22 1vku h LEU 78 Ca 0.05 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.54 1vku h LEU 78 Cb 0.75 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1vku h LEU 78 CO 0.06 1.23 0.08 -0.33 0.09 0.00 0.00 178.44 179.57 1vku h GLU 79 N 0.65 0.17 0.36 1.13 5.08 -0.51 -2.96 114.58 118.50 1vku h GLU 79 Ca 0.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1vku h GLU 79 Cb 1.00 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1vku h GLU 79 CO 0.10 0.11 -0.47 0.93 -1.00 0.00 0.00 179.01 178.68 1vku h GLU 80 N 0.18 -0.84 -4.91 2.33 5.08 -1.27 -3.24 114.58 111.91 1vku h GLU 80 Ca 0.06 0.06 -0.48 0.00 -1.00 0.00 0.00 59.36 58.00 1vku h GLU 80 Cb 0.00 0.19 0.06 0.00 0.50 0.00 0.00 28.75 29.50 1vku h GLU 80 CO -0.03 -0.56 1.45 -0.89 -1.00 0.00 0.00 179.01 177.98 1vku n ILE 81 N -5.52 0.98 -1.76 3.13 5.41 -0.77 -5.12 119.36 115.72 1vku n ILE 81 Ca -0.10 -0.92 0.00 0.00 1.00 0.00 0.00 62.75 62.73 1vku n ILE 81 Cb 0.43 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 37.21 1vku n ILE 81 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88