#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hlu s GLN 4 N 0.00 4.78 0.18 -1.24 -0.21 -1.26 -4.47 119.66 117.44 3hlu s GLN 4 Ca 0.00 1.50 -0.30 0.00 0.02 0.00 0.00 55.36 56.57 3hlu s GLN 4 Cb 0.00 -3.17 -0.09 0.00 1.00 0.00 0.00 33.01 30.75 3hlu s GLN 4 CO 0.00 0.43 1.37 -0.65 -2.12 0.00 0.00 175.29 174.33 3hlu s GLN 5 N -1.38 4.33 0.00 2.91 -0.21 -1.26 -3.48 119.66 120.57 3hlu s GLN 5 Ca 0.43 2.13 0.00 0.00 0.02 0.00 0.00 55.36 57.94 3hlu s GLN 5 Cb -0.25 -3.19 0.00 0.00 1.00 0.00 0.00 33.01 30.57 3hlu s GLN 5 CO 0.32 -0.36 0.00 0.25 -2.12 0.00 0.00 175.29 173.37 3hlu n THR 6 N 3.05 0.00 0.00 -0.19 -2.24 -1.26 -4.96 114.28 108.68 3hlu n THR 6 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 3hlu n THR 6 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3hlu n THR 6 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3hlu n VAL 8 N 0.00 0.00 -4.48 2.28 0.31 0.05 -4.33 118.33 112.16 3hlu n VAL 8 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 3hlu n VAL 8 Cb 0.00 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.81 3hlu n VAL 8 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3hlu s TYR 9 N -0.38 3.00 -0.18 3.52 1.51 -0.38 -1.03 117.35 123.42 3hlu s TYR 9 Ca 0.00 -0.18 -0.00 0.00 -1.01 0.00 0.00 57.07 55.87 3hlu s TYR 9 Cb 0.00 -1.87 0.01 0.00 -0.11 0.00 0.00 41.96 39.99 3hlu s TYR 9 CO 0.00 0.10 -0.15 0.42 -1.11 0.00 0.00 175.55 174.81 3hlu s ILE 10 N -0.07 2.52 -0.22 2.71 1.01 0.21 0.85 121.20 128.21 3hlu s ILE 10 Ca 0.01 -0.80 -0.10 0.00 0.00 0.00 0.00 60.65 59.77 3hlu s ILE 10 Cb -0.13 -2.08 -0.05 0.00 0.01 0.00 0.00 42.46 40.21 3hlu s ILE 10 CO 0.03 0.51 0.13 -0.69 0.00 0.00 0.00 174.94 174.92 3hlu s VAL 11 N 1.15 5.26 -0.28 2.92 1.01 0.06 -1.94 120.40 128.58 3hlu s VAL 11 Ca 0.01 0.14 -0.24 0.00 0.00 0.00 0.00 61.98 61.89 3hlu s VAL 11 Cb -0.14 -3.42 0.13 0.00 0.00 0.00 0.00 36.38 32.95 3hlu s VAL 11 CO -0.06 0.39 1.08 -0.55 0.00 0.00 0.00 175.10 175.96 3hlu s SER 12 N 0.74 -0.40 0.46 3.32 0.15 -1.26 -2.47 113.70 114.23 3hlu s SER 12 Ca 0.07 0.76 0.13 0.00 0.70 0.00 0.00 55.95 57.61 3hlu s SER 12 Cb -0.13 0.81 1.06 0.00 -1.71 0.00 0.00 66.02 66.05 3hlu s SER 12 CO 0.02 -0.13 2.06 0.00 1.20 0.00 0.00 173.24 176.38 3hlu h ALA 13 N 4.22 1.93 -1.00 5.45 0.00 -1.96 -2.91 119.26 125.00 3hlu h ALA 13 Ca -0.28 -0.02 -0.58 0.00 0.00 0.00 0.00 54.91 54.03 3hlu h ALA 13 Cb 1.18 -0.08 -0.30 0.00 0.00 0.00 0.00 17.79 18.59 3hlu h ALA 13 CO 0.12 0.01 0.74 1.63 0.00 0.00 0.00 179.25 181.75 3hlu n LYS 14 N -4.48 2.42 -0.10 0.00 4.76 -1.26 -4.72 118.16 114.77 3hlu n LYS 14 Ca 0.04 -3.12 -0.03 0.00 -2.87 0.00 0.00 58.31 52.33 3hlu n LYS 14 Cb 0.20 -2.22 0.19 0.00 -1.84 0.00 0.00 35.03 31.36 3hlu n LYS 14 CO 0.00 0.00 0.00 0.07 -1.37 0.00 0.00 177.40 176.10 3hlu h ARG 15 N 1.38 0.77 -0.71 1.97 -0.00 -1.92 -1.41 114.38 114.46 3hlu h ARG 15 Ca 0.63 -0.18 0.01 0.00 -0.00 0.00 0.00 59.98 60.44 3hlu h ARG 15 Cb 2.09 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.97 31.92 3hlu h ARG 15 CO 1.29 0.74 0.47 0.87 -0.00 0.00 0.00 179.97 183.34 3hlu h LYS 16 N 0.73 0.94 -0.41 0.08 1.57 -1.88 0.62 116.57 118.21 3hlu h LYS 16 Ca 0.15 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 3hlu h LYS 16 Cb 0.36 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3hlu h LYS 16 CO 0.01 0.62 -0.17 0.82 -0.57 0.00 0.00 179.45 180.16 3hlu h ILE 17 N 0.96 1.28 -0.01 1.86 2.04 -1.85 -1.48 117.51 120.31 3hlu h ILE 17 Ca 0.26 -1.30 -0.12 0.00 1.00 0.00 0.00 64.86 64.70 3hlu h ILE 17 Cb -0.11 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.20 3hlu h ILE 17 CO -0.06 0.44 -0.57 0.16 0.00 0.00 0.00 178.15 178.11 3hlu h ILE 18 N 0.66 1.41 -0.61 -0.67 3.07 -0.76 -2.49 117.51 118.12 3hlu h ILE 18 Ca 0.10 -1.96 -0.09 0.00 1.55 0.00 0.00 64.86 64.46 3hlu h ILE 18 Cb 0.72 2.04 -0.02 0.00 -0.27 0.00 0.00 36.82 39.29 3hlu h ILE 18 CO 0.05 0.56 0.01 0.00 -1.05 0.00 0.00 178.15 177.73 3hlu h ALA 19 N 1.39 0.87 0.01 0.16 0.00 0.33 -3.19 119.26 118.84 3hlu h ALA 19 Ca -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hlu h ALA 19 Cb 1.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hlu h ALA 19 CO 0.08 0.66 -0.01 -0.44 0.00 0.00 0.00 179.25 179.54 3hlu h ASP 20 N 0.97 -0.02 0.00 0.00 3.45 -1.13 -2.69 116.42 117.00 3hlu h ASP 20 Ca 0.17 -0.40 0.00 0.00 0.43 0.00 0.00 57.03 57.24 3hlu h ASP 20 Cb 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 3hlu h ASP 20 CO 0.03 0.39 0.00 0.54 -1.57 0.00 0.00 179.24 178.63 3hlu n ARG 21 N -4.90 0.00 0.00 3.56 1.74 -0.95 -0.12 116.66 115.99 3hlu n ARG 21 Ca -0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3hlu n ARG 21 Cb 0.22 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 3hlu n ARG 21 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3hlu n LEU 23 N 1.61 0.00 0.07 0.55 7.94 -1.02 -1.18 117.00 124.97 3hlu n LEU 23 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 3hlu n LEU 23 Cb 0.00 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.86 3hlu n LEU 23 CO 0.00 0.00 0.61 1.56 -1.11 0.00 0.00 177.39 178.45 3hlu h GLN 24 N 0.00 -0.19 -0.00 1.96 7.50 -0.80 -2.67 115.11 120.90 3hlu h GLN 24 Ca 0.00 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.16 3hlu h GLN 24 Cb 0.00 0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.57 3hlu h GLN 24 CO 0.00 0.16 -0.83 0.39 -1.50 0.00 0.00 178.83 177.05 3hlu n GLU 25 N -5.01 0.69 0.00 1.46 1.02 -0.33 -4.33 120.64 114.14 3hlu n GLU 25 Ca -0.09 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 3hlu n GLU 25 Cb 0.23 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 3hlu n GLU 25 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hlu n LEU 26 N -1.19 0.18 -1.30 -4.62 7.99 -1.24 -5.01 117.00 111.81 3hlu n LEU 26 Ca 0.05 -0.46 -0.14 0.00 -0.01 0.00 0.00 56.01 55.44 3hlu n LEU 26 Cb 0.33 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.60 3hlu n LEU 26 CO 0.37 0.05 -0.15 0.47 -1.51 0.00 0.00 177.39 176.61 3hlu n ASP 27 N -0.56 -4.61 -4.73 -1.43 8.00 -1.01 -4.94 116.55 107.27 3hlu n ASP 27 Ca 0.00 0.22 -0.39 0.00 0.71 0.00 0.00 54.79 55.33 3hlu n ASP 27 Cb 0.02 -3.52 -0.05 0.00 -0.02 0.00 0.00 41.12 37.55 3hlu n ASP 27 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hlu s LEU 28 N -3.59 4.35 -0.37 0.64 1.43 -1.26 -4.97 118.68 114.91 3hlu s LEU 28 Ca 0.00 1.11 -0.25 0.00 -1.03 0.00 0.00 54.13 53.96 3hlu s LEU 28 Cb 0.00 -2.95 0.01 0.00 0.03 0.00 0.00 46.19 43.28 3hlu s LEU 28 CO 0.00 -0.01 0.89 -0.83 0.23 0.00 0.00 176.35 176.63 3hlu s GLY 29 N 0.40 1.59 0.14 -3.19 0.00 -1.26 -4.01 107.32 100.99 3hlu s GLY 29 Ca 0.33 -0.51 0.11 0.00 0.00 0.00 0.00 44.72 44.65 3hlu s GLY 29 CO 0.16 1.95 -0.26 -1.34 0.00 0.00 0.00 173.10 173.62 3hlu s VAL 30 N 3.39 2.23 0.00 1.40 -7.23 -1.26 -4.55 120.40 114.38 3hlu s VAL 30 Ca 0.36 -1.82 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3hlu s VAL 30 Cb -0.12 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.83 3hlu s VAL 30 CO 0.18 0.02 0.00 1.07 -0.31 0.00 0.00 175.10 176.06 3hlu n THR 31 N 0.75 0.00 -3.59 5.32 5.66 -1.26 -5.04 114.28 116.11 3hlu n THR 31 Ca -0.17 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.71 3hlu n THR 31 Cb 0.54 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.26 3hlu n THR 31 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3hlu s LEU 33 N 0.00 -0.51 -0.25 1.09 1.43 0.48 -4.60 118.68 116.31 3hlu s LEU 33 Ca 0.00 0.74 -0.09 0.00 -1.03 0.00 0.00 54.13 53.75 3hlu s LEU 33 Cb 0.00 2.11 -0.04 0.00 0.03 0.00 0.00 46.19 48.29 3hlu s LEU 33 CO 0.00 -0.34 0.14 -1.58 0.23 0.00 0.00 176.35 174.79 3hlu s GLN 34 N -0.58 3.90 0.30 1.70 2.00 -1.26 -0.25 119.66 125.47 3hlu s GLN 34 Ca -0.02 -0.35 -0.15 0.00 -2.00 0.00 0.00 55.36 52.83 3hlu s GLN 34 Cb -0.02 -3.49 -0.09 0.00 0.80 0.00 0.00 33.01 30.22 3hlu s GLN 34 CO 0.02 -0.07 0.71 0.00 -0.50 0.00 0.00 175.29 175.44 3hlu s ALA 35 N 1.38 3.37 -0.61 1.58 0.00 -0.50 -4.96 121.76 122.02 3hlu s ALA 35 Ca 0.06 0.02 -0.27 0.00 0.00 0.00 0.00 51.96 51.77 3hlu s ALA 35 Cb -0.15 -2.73 0.03 0.00 0.00 0.00 0.00 23.12 20.28 3hlu s ALA 35 CO 0.06 0.35 1.17 0.08 0.00 0.00 0.00 175.76 177.43 3hlu s VAL 36 N -1.90 4.02 0.81 0.00 1.01 -1.26 -4.49 120.40 118.58 3hlu s VAL 36 Ca 0.52 0.70 -0.12 0.00 0.00 0.00 0.00 61.98 63.07 3hlu s VAL 36 Cb -0.11 -4.74 0.08 0.00 0.00 0.00 0.00 36.38 31.61 3hlu s VAL 36 CO 0.18 -1.41 1.18 -0.83 0.00 0.00 0.00 175.10 174.22 3hlu s GLY 37 N 3.11 1.59 0.35 4.51 0.00 -1.26 -4.94 107.32 110.68 3hlu s GLY 37 Ca 0.39 -0.64 0.13 0.00 0.00 0.00 0.00 44.72 44.60 3hlu s GLY 37 CO 0.22 -0.15 1.75 0.00 0.00 0.00 0.00 173.10 174.92 3hlu h ALA 38 N -1.07 1.95 -3.35 3.20 0.00 -1.95 -3.41 119.26 114.62 3hlu h ALA 38 Ca -0.46 0.10 -0.66 0.00 0.00 0.00 0.00 54.91 53.88 3hlu h ALA 38 Cb 1.33 0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.94 3hlu h ALA 38 CO 0.66 -0.39 -0.83 0.71 0.00 0.00 0.00 179.25 179.40 3hlu s TYR 39 N -5.67 2.30 0.20 0.00 1.51 -1.26 -5.05 117.35 109.38 3hlu s TYR 39 Ca -0.10 -0.36 0.13 0.00 -1.01 0.00 0.00 57.07 55.73 3hlu s TYR 39 Cb 0.26 -1.17 0.41 0.00 -0.11 0.00 0.00 41.96 41.36 3hlu s TYR 39 CO 0.80 0.46 1.62 0.87 -1.11 0.00 0.00 175.55 178.19 3hlu h LYS 40 N 3.35 0.00 -0.68 -0.62 1.57 -2.00 -3.13 116.57 115.07 3hlu h LYS 40 Ca -0.47 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.25 3hlu h LYS 40 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 3hlu h LYS 40 CO 0.46 0.55 0.21 -0.91 -0.57 0.00 0.00 179.45 179.19 3hlu h ASN 41 N 0.00 0.98 -0.26 0.86 4.21 -1.97 -3.39 115.58 116.01 3hlu h ASN 41 Ca -0.01 -0.18 -0.56 0.00 1.21 0.00 0.00 56.30 56.77 3hlu h ASN 41 Cb 1.09 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 38.03 3hlu h ASN 41 CO 0.07 0.91 2.01 0.59 -1.29 0.00 0.00 177.43 179.73 3hlu n ASN 42 N -4.26 3.20 -4.73 5.81 3.02 -1.18 -4.95 115.26 112.16 3hlu n ASN 42 Ca 0.05 -2.74 -0.42 0.00 -0.03 0.00 0.00 54.58 51.45 3hlu n ASN 42 Cb 0.22 -1.47 -0.03 0.00 -0.61 0.00 0.00 39.78 37.89 3hlu n ASN 42 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hlu s GLU 43 N 5.12 4.33 -0.03 3.52 2.02 -1.26 -4.46 118.70 127.94 3hlu s GLU 43 Ca 0.59 2.12 -0.01 0.00 0.02 0.00 0.00 54.97 57.69 3hlu s GLU 43 Cb 0.08 -3.20 0.03 0.00 0.10 0.00 0.00 34.13 31.15 3hlu s GLU 43 CO 0.09 -0.37 0.06 -0.08 0.02 0.00 0.00 175.26 174.99 3hlu s THR 44 N 0.52 -0.07 0.10 3.63 -1.32 -1.26 -5.08 115.64 112.16 3hlu s THR 44 Ca 0.61 0.24 0.04 0.00 -1.21 0.00 0.00 61.69 61.37 3hlu s THR 44 Cb -0.38 -0.13 -0.04 0.00 -1.51 0.00 0.00 72.50 70.44 3hlu s THR 44 CO 0.36 0.10 0.03 -1.83 -2.21 0.00 0.00 174.62 171.07 3hlu s GLU 45 N 1.25 2.66 0.02 7.08 -1.05 -1.26 -1.41 118.70 126.00 3hlu s GLU 45 Ca -0.07 -0.81 0.07 0.00 -0.15 0.00 0.00 54.97 54.01 3hlu s GLU 45 Cb -0.13 -2.60 -0.02 0.00 -0.44 0.00 0.00 34.13 30.95 3hlu s GLU 45 CO -0.04 0.54 -0.21 0.08 0.95 0.00 0.00 175.26 176.58 3hlu s VAL 46 N -1.38 1.70 0.32 1.83 1.01 0.65 -4.75 120.40 119.79 3hlu s VAL 46 Ca 0.27 -1.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.10 3hlu s VAL 46 Cb -0.12 -1.46 0.07 0.00 0.00 0.00 0.00 36.38 34.88 3hlu s VAL 46 CO 0.20 0.31 0.44 -0.38 0.00 0.00 0.00 175.10 175.66 3hlu n ILE 47 N 2.09 0.00 0.00 2.22 5.41 -0.82 -0.39 119.36 127.87 3hlu n ILE 47 Ca -0.16 -0.40 0.00 0.00 1.00 0.00 0.00 62.75 63.18 3hlu n ILE 47 Cb 0.53 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.81 3hlu n ILE 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hlu s VAL 50 N 0.00 4.57 0.13 0.00 1.01 -1.26 -0.77 120.40 124.08 3hlu s VAL 50 Ca 0.00 1.17 -0.10 0.00 0.00 0.00 0.00 61.98 63.05 3hlu s VAL 50 Cb 0.00 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.66 3hlu s VAL 50 CO 0.00 -0.15 0.46 -0.13 0.00 0.00 0.00 175.10 175.27 3hlu s ARG 52 N -2.85 3.79 0.08 2.72 0.52 -1.26 -4.95 118.95 117.00 3hlu s ARG 52 Ca 0.54 0.22 0.04 0.00 -0.52 0.00 0.00 55.73 56.02 3hlu s ARG 52 Cb -0.11 -2.90 0.22 0.00 0.52 0.00 0.00 34.95 32.68 3hlu s ARG 52 CO 0.17 0.48 0.99 1.17 0.02 0.00 0.00 175.30 178.14 3hlu n LYS 53 N 0.58 0.03 -0.00 3.54 4.81 -1.23 -1.15 118.16 124.73 3hlu n LYS 53 Ca -0.05 0.41 0.08 0.00 -0.87 0.00 0.00 58.31 57.88 3hlu n LYS 53 Cb 0.52 -1.75 -0.11 0.00 0.02 0.00 0.00 35.03 33.71 3hlu n LYS 53 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hlu n ALA 54 N -1.42 3.12 0.20 3.14 0.00 -1.26 -3.95 120.51 120.34 3hlu n ALA 54 Ca -0.00 -0.41 0.06 0.00 0.00 0.00 0.00 53.44 53.09 3hlu n ALA 54 Cb 0.17 -0.56 0.41 0.00 0.00 0.00 0.00 19.45 19.46 3hlu n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hlu h THR 55 N 0.00 0.91 -0.95 0.00 2.02 -1.59 -3.29 112.91 110.01 3hlu h THR 55 Ca 0.00 -1.31 0.07 0.00 0.77 0.00 0.00 66.41 65.94 3hlu h THR 55 Cb 0.61 1.78 -0.07 0.00 -1.74 0.00 0.00 68.15 68.74 3hlu h THR 55 CO 0.00 0.33 0.60 0.25 0.37 0.00 0.00 175.52 177.07 3hlu h LEU 56 N 0.00 0.94 -0.47 2.58 5.85 -1.68 -1.80 115.31 120.74 3hlu h LEU 56 Ca -0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3hlu h LEU 56 Cb 0.76 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3hlu h LEU 56 CO 0.04 0.59 0.23 0.58 -0.34 0.00 0.00 178.44 179.54 3hlu h VAL 57 N 1.07 1.19 -0.85 1.05 2.07 -1.79 0.21 116.25 119.20 3hlu h VAL 57 Ca 0.42 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.44 3hlu h VAL 57 Cb 0.21 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3hlu h VAL 57 CO -0.19 0.21 0.56 0.11 0.02 0.00 0.00 177.57 178.28 3hlu h LYS 58 N 0.62 1.06 -0.10 1.57 1.57 -1.51 -1.40 116.57 118.37 3hlu h LYS 58 Ca 0.16 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.71 3hlu h LYS 58 Cb 0.12 -0.24 0.01 0.00 0.08 0.00 0.00 32.23 32.20 3hlu h LYS 58 CO -0.02 0.70 -0.59 0.28 -0.57 0.00 0.00 179.45 179.25 3hlu h VAL 59 N 1.09 1.35 -0.75 0.50 2.07 -0.78 -2.06 116.25 117.67 3hlu h VAL 59 Ca 0.33 -1.89 0.15 0.00 0.82 0.00 0.00 66.70 66.10 3hlu h VAL 59 Cb -0.03 2.20 -0.10 0.00 -1.52 0.00 0.00 31.29 31.84 3hlu h VAL 59 CO -0.09 0.57 0.27 -0.09 0.02 0.00 0.00 177.57 178.26 3hlu h ARG 60 N 0.19 0.39 0.00 1.57 2.43 -0.27 0.04 114.38 118.74 3hlu h ARG 60 Ca -0.05 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 3hlu h ARG 60 Cb 1.24 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3hlu h ARG 60 CO 0.12 0.26 -0.49 -0.91 -1.51 0.00 0.00 179.97 177.44 3hlu h ASN 61 N 0.40 0.00 -0.52 -3.80 2.35 -1.08 -1.49 115.58 111.44 3hlu h ASN 61 Ca 0.41 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 56.08 3hlu h ASN 61 Cb 0.65 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 3hlu h ASN 61 CO -0.42 0.49 0.00 0.25 -1.65 0.00 0.00 177.43 176.10 3hlu h LEU 62 N 0.00 0.93 -0.22 1.61 5.85 -0.49 -3.11 115.31 119.88 3hlu h LEU 62 Ca -0.00 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3hlu h LEU 62 Cb 0.97 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3hlu h LEU 62 CO 0.06 0.98 0.12 -0.07 -0.34 0.00 0.00 178.44 179.20 3hlu h LEU 63 N 0.88 0.28 -1.00 2.25 3.38 -0.02 -2.18 115.31 118.91 3hlu h LEU 63 Ca 0.16 -0.09 0.29 0.00 0.09 0.00 0.00 57.88 58.33 3hlu h LEU 63 Cb 0.51 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.05 3hlu h LEU 63 CO 0.03 0.29 0.57 0.11 0.09 0.00 0.00 178.44 179.53 3hlu h LYS 64 N 0.25 0.41 0.00 1.13 1.57 -1.36 0.20 116.57 118.77 3hlu h LYS 64 Ca 0.08 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3hlu h LYS 64 Cb 0.08 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 3hlu h LYS 64 CO -0.01 0.27 -0.07 0.93 -0.57 0.00 0.00 179.45 180.00 3hlu h GLU 65 N 0.43 0.00 0.00 3.15 5.08 -1.33 -3.40 114.58 118.51 3hlu h GLU 65 Ca 0.69 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 59.01 3hlu h GLU 65 Cb 1.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 3hlu h GLU 65 CO -0.55 0.07 -1.16 0.28 -1.00 0.00 0.00 179.01 176.64 3hlu n VAL 66 N -3.13 0.16 -3.34 3.13 0.31 0.10 -4.97 118.33 110.59 3hlu n VAL 66 Ca 0.03 -0.06 -0.13 0.00 -0.01 0.00 0.00 64.34 64.17 3hlu n VAL 66 Cb 0.49 -0.62 -0.07 0.00 -0.91 0.00 0.00 33.84 32.73 3hlu n VAL 66 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hlu s ASP 67 N -4.30 0.79 0.58 4.52 3.68 0.47 -4.96 116.67 117.46 3hlu s ASP 67 Ca -0.04 -0.87 0.37 0.00 2.13 0.00 0.00 52.55 54.14 3hlu s ASP 67 Cb 0.01 0.86 2.01 0.00 -1.45 0.00 0.00 42.92 44.35 3hlu s ASP 67 CO 0.07 -0.32 2.13 -0.65 0.13 0.00 0.00 175.17 176.53 3hlu h PRO 68 N 7.76 0.00 -0.01 4.34 0.11 -1.77 -1.23 132.00 141.20 3hlu h PRO 68 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3hlu h PRO 68 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3hlu h PRO 68 CO 0.25 0.00 -0.55 -0.25 -0.21 0.00 0.00 178.00 177.24 3hlu n ASP 69 N -2.84 1.28 -4.73 -2.05 8.00 -1.26 -4.93 116.55 110.02 3hlu n ASP 69 Ca -0.02 -1.03 -0.34 0.00 0.71 0.00 0.00 54.79 54.11 3hlu n ASP 69 Cb 0.11 0.48 0.08 0.00 -0.02 0.00 0.00 41.12 41.77 3hlu n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hlu s ALA 70 N -2.70 2.19 0.00 2.24 0.00 -0.46 -4.96 121.76 118.08 3hlu s ALA 70 Ca 0.16 0.87 0.00 0.00 0.00 0.00 0.00 51.96 52.99 3hlu s ALA 70 Cb 0.18 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3hlu s ALA 70 CO 0.65 -1.76 0.00 1.97 0.00 0.00 0.00 175.76 176.63 3hlu n PHE 71 N -2.57 0.00 -3.57 0.00 -1.74 -1.03 -5.02 117.46 103.53 3hlu n PHE 71 Ca 0.13 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.87 3hlu n PHE 71 Cb 0.50 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.37 3hlu n PHE 71 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 3hlu s ILE 73 N -1.62 -0.38 -0.54 1.97 1.01 0.25 -0.76 121.20 121.13 3hlu s ILE 73 Ca 0.00 0.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.57 3hlu s ILE 73 Cb 0.00 -0.55 0.08 0.00 0.01 0.00 0.00 42.46 42.00 3hlu s ILE 73 CO 0.00 -0.03 0.63 -0.69 0.00 0.00 0.00 174.94 174.86 3hlu s VAL 74 N 2.38 4.90 -1.86 2.92 1.01 -1.26 -1.24 120.40 127.24 3hlu s VAL 74 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3hlu s VAL 74 Cb -0.14 -4.37 0.00 0.00 0.00 0.00 0.00 36.38 31.87 3hlu s VAL 74 CO -0.10 -0.93 0.46 -0.24 0.00 0.00 0.00 175.10 174.29