#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hlu s LEU 2 N 0.00 1.28 -0.02 4.03 2.96 -0.01 -4.97 118.68 121.94 2hlu s LEU 2 Ca 0.00 -1.42 -0.13 0.00 -0.22 0.00 0.00 54.13 52.36 2hlu s LEU 2 Cb 0.00 0.34 0.02 0.00 0.50 0.00 0.00 46.19 47.05 2hlu s LEU 2 CO 0.00 -0.85 0.27 -1.58 -1.32 0.00 0.00 176.35 172.87 2hlu s GLN 3 N -4.08 0.59 0.18 1.98 0.74 -1.19 -1.47 119.66 116.41 2hlu s GLN 3 Ca 0.39 -0.18 -0.07 0.00 0.05 0.00 0.00 55.36 55.55 2hlu s GLN 3 Cb 0.07 0.26 -0.02 0.00 1.10 0.00 0.00 33.01 34.42 2hlu s GLN 3 CO 0.14 -0.15 0.25 1.52 -0.55 0.00 0.00 175.29 176.50 2hlu s TYR 4 N -1.18 0.58 -0.02 1.67 -0.85 -0.33 -1.03 117.35 116.18 2hlu s TYR 4 Ca -0.12 -0.92 0.08 0.00 -0.52 0.00 0.00 57.07 55.59 2hlu s TYR 4 Cb -0.05 -0.16 -0.02 0.00 0.38 0.00 0.00 41.96 42.11 2hlu s TYR 4 CO 0.03 -0.72 -0.26 0.50 -1.52 0.00 0.00 175.55 173.59 2hlu s ARG 5 N -4.02 2.08 -0.01 -3.49 3.52 0.04 -1.77 118.95 115.30 2hlu s ARG 5 Ca 0.22 -0.92 0.03 0.00 -0.13 0.00 0.00 55.73 54.92 2hlu s ARG 5 Cb 0.04 -2.02 -0.01 0.00 -1.56 0.00 0.00 34.95 31.41 2hlu s ARG 5 CO 0.03 0.55 -0.08 0.42 -0.81 0.00 0.00 175.30 175.41 2hlu s ILE 6 N -0.61 0.67 0.00 4.11 1.01 0.10 -1.07 121.20 125.42 2hlu s ILE 6 Ca 0.10 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.45 2hlu s ILE 6 Cb -0.10 -0.57 -0.03 0.00 0.01 0.00 0.00 42.46 41.77 2hlu s ILE 6 CO -0.01 0.19 -0.17 -0.63 0.00 0.00 0.00 174.94 174.33 2hlu s ILE 7 N -0.15 2.88 -0.01 2.92 -1.09 0.42 -0.53 121.20 125.65 2hlu s ILE 7 Ca 0.03 -0.99 0.01 0.00 -2.23 0.00 0.00 60.65 57.47 2hlu s ILE 7 Cb -0.04 -2.17 0.00 0.00 -1.58 0.00 0.00 42.46 38.68 2hlu s ILE 7 CO -0.00 0.45 -0.02 -0.69 -1.23 0.00 0.00 174.94 173.45 2hlu s VAL 8 N -0.83 0.19 0.03 2.92 1.01 -0.21 -1.14 120.40 122.38 2hlu s VAL 8 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 2hlu s VAL 8 Cb -0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.06 2hlu s VAL 8 CO 0.03 0.07 -0.01 -0.62 0.00 0.00 0.00 175.10 174.57 2hlu s ASP 9 N 0.08 0.31 0.00 3.32 2.15 -0.15 -1.40 116.67 120.98 2hlu s ASP 9 Ca -0.01 -0.66 0.00 0.00 0.43 0.00 0.00 52.55 52.31 2hlu s ASP 9 Cb -0.03 0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.75 2hlu s ASP 9 CO -0.00 -0.43 0.00 0.61 -0.17 0.00 0.00 175.17 175.17 2hlu n GLY 10 N 0.97 0.85 3.57 2.66 0.00 -1.26 -0.71 105.19 111.26 2hlu n GLY 10 Ca -0.20 -1.92 -0.36 0.00 0.00 0.00 0.00 46.02 43.54 2hlu n GLY 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2hlu n ARG 11 N 0.00 2.43 0.00 1.61 3.00 0.12 -4.42 116.66 119.40 2hlu n ARG 11 Ca 0.00 -2.88 0.00 0.00 -0.00 0.00 0.00 57.85 54.97 2hlu n ARG 11 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 32.46 28.86 2hlu n ARG 11 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2hlu n VAL 12 N 7.04 0.13 -4.24 5.15 0.24 -1.26 -0.85 118.33 124.54 2hlu n VAL 12 Ca 0.47 -0.31 -0.14 0.00 -2.04 0.00 0.00 64.34 62.33 2hlu n VAL 12 Cb 0.46 1.31 -0.10 0.00 -1.47 0.00 0.00 33.84 34.04 2hlu n VAL 12 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2hlu s GLN 13 N -0.13 1.08 -0.19 7.34 -0.21 -1.26 -4.50 119.66 121.79 2hlu s GLN 13 Ca 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 55.36 53.88 2hlu s GLN 13 Cb 0.00 -0.38 0.00 0.00 1.00 0.00 0.00 33.01 33.63 2hlu s GLN 13 CO 0.00 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.52 2hlu n GLY 14 N -0.22 0.45 3.19 3.09 0.00 -1.26 -5.00 105.19 105.43 2hlu n GLY 14 Ca -0.08 -0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.72 2hlu n GLY 14 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hlu s VAL 15 N -1.73 0.16 -0.91 1.61 -7.23 -1.26 -5.07 120.40 105.96 2hlu s VAL 15 Ca 0.00 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.87 2hlu s VAL 15 Cb 0.00 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.55 2hlu s VAL 15 CO 0.00 -0.71 0.44 0.61 -0.31 0.00 0.00 175.10 175.13 2hlu n GLY 16 N -0.03 1.24 0.32 2.32 0.00 -1.26 -4.38 105.19 103.39 2hlu n GLY 16 Ca -0.15 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.93 2hlu n GLY 16 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2hlu h PHE 17 N 0.22 0.50 -0.55 1.61 3.57 -1.95 -1.47 116.94 118.88 2hlu h PHE 17 Ca 0.00 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.62 2hlu h PHE 17 Cb 0.44 -0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.92 2hlu h PHE 17 CO 0.00 0.30 0.07 -0.09 -2.23 0.00 0.00 178.31 176.36 2hlu h ARG 18 N 0.53 0.19 -0.26 1.11 9.65 -1.82 -0.06 114.38 123.73 2hlu h ARG 18 Ca 0.18 -0.01 -0.20 0.00 -1.10 0.00 0.00 59.98 58.85 2hlu h ARG 18 Cb 0.06 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 2hlu h ARG 18 CO -0.04 0.13 -0.61 1.88 2.80 0.00 0.00 179.97 184.13 2hlu h TYR 19 N 0.20 1.09 -0.12 2.20 0.05 -1.65 -2.60 116.97 116.14 2hlu h TYR 19 Ca 0.28 -0.41 0.03 0.00 0.05 0.00 0.00 58.73 58.68 2hlu h TYR 19 Cb 0.42 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 37.93 2hlu h TYR 19 CO -0.27 1.24 -0.09 0.35 -1.05 0.00 0.00 178.16 178.34 2hlu h PHE 20 N 0.64 -0.23 -0.30 4.88 3.57 -0.73 0.02 116.94 124.78 2hlu h PHE 20 Ca -0.00 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.54 2hlu h PHE 20 Cb 1.22 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 40.05 2hlu h PHE 20 CO 0.08 -0.15 0.13 0.28 -2.23 0.00 0.00 178.31 176.42 2hlu h VAL 21 N -0.11 0.96 -0.35 1.41 2.07 -1.05 -0.11 116.25 119.07 2hlu h VAL 21 Ca 0.08 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2hlu h VAL 21 Cb 0.22 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2hlu h VAL 21 CO -0.19 0.05 0.19 -0.61 0.02 0.00 0.00 177.57 177.04 2hlu h GLN 22 N 0.28 0.38 -0.11 1.57 4.15 -1.04 -0.93 115.11 119.41 2hlu h GLN 22 Ca 0.13 -0.02 -0.14 0.00 0.77 0.00 0.00 58.65 59.39 2hlu h GLN 22 Cb 0.07 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 2hlu h GLN 22 CO -0.11 0.25 -0.53 0.52 -1.93 0.00 0.00 178.83 177.03 2hlu h MET 23 N 0.39 0.31 -0.35 1.69 2.86 -0.53 0.18 114.93 119.49 2hlu h MET 23 Ca 0.14 -0.19 -0.12 0.00 -2.06 0.00 0.00 59.70 57.47 2hlu h MET 23 Cb 0.03 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 2hlu h MET 23 CO -0.08 0.77 -0.28 0.93 1.06 0.00 0.00 176.91 179.31 2hlu h GLU 24 N 0.24 0.73 -0.52 1.72 4.39 -0.86 -0.74 114.58 119.55 2hlu h GLU 24 Ca 0.01 -0.31 -0.06 0.00 0.34 0.00 0.00 59.36 59.33 2hlu h GLU 24 Cb 1.02 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.62 2hlu h GLU 24 CO 0.09 0.92 0.10 0.00 -1.16 0.00 0.00 179.01 178.95 2hlu h ALA 25 N 1.07 0.68 -0.49 3.43 0.00 -0.73 -2.72 119.26 120.50 2hlu h ALA 25 Ca 0.08 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 2hlu h ALA 25 Cb 0.79 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2hlu h ALA 25 CO 0.06 0.41 -0.00 0.22 0.00 0.00 0.00 179.25 179.94 2hlu h ASP 26 N 0.73 0.85 0.59 0.00 3.58 -0.75 -0.76 116.42 120.66 2hlu h ASP 26 Ca 0.16 -0.31 -0.04 0.00 0.42 0.00 0.00 57.03 57.26 2hlu h ASP 26 Cb 0.38 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.20 2hlu h ASP 26 CO 0.01 0.95 -0.21 0.07 -2.88 0.00 0.00 179.24 177.17 2hlu h LYS 27 N 0.72 0.00 -0.00 0.28 5.09 -1.15 0.44 116.57 121.95 2hlu h LYS 27 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.88 2hlu h LYS 27 Cb 0.51 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.84 2hlu h LYS 27 CO 0.03 0.21 -0.03 0.54 -2.09 0.00 0.00 179.45 178.11 2hlu n ARG 28 N -3.60 1.04 -4.32 0.07 5.12 -0.96 -4.95 116.66 109.06 2hlu n ARG 28 Ca -0.01 -0.29 -0.37 0.00 -1.93 0.00 0.00 57.85 55.24 2hlu n ARG 28 Cb 0.35 -1.49 -0.05 0.00 -1.16 0.00 0.00 32.46 30.10 2hlu n ARG 28 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2hlu n LYS 29 N -0.72 -2.11 -1.53 5.56 4.76 0.14 -4.98 118.16 119.28 2hlu n LYS 29 Ca 0.20 0.27 -0.29 0.00 -2.87 0.00 0.00 58.31 55.61 2hlu n LYS 29 Cb 0.22 -4.77 0.13 0.00 -1.84 0.00 0.00 35.03 28.77 2hlu n LYS 29 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2hlu s LEU 30 N -7.25 2.12 0.06 -0.35 1.43 -0.45 -5.01 118.68 109.24 2hlu s LEU 30 Ca 0.64 1.03 0.05 0.00 -1.03 0.00 0.00 54.13 54.82 2hlu s LEU 30 Cb -0.36 -3.41 -0.03 0.00 0.03 0.00 0.00 46.19 42.42 2hlu s LEU 30 CO 0.97 -2.44 -0.14 0.00 0.23 0.00 0.00 176.35 174.96 2hlu s ALA 31 N -3.25 1.16 0.00 4.21 0.00 -1.00 -4.65 121.76 118.23 2hlu s ALA 31 Ca 0.63 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2hlu s ALA 31 Cb -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.85 2hlu s ALA 31 CO 0.53 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.88 2hlu n GLY 32 N 1.46 -0.49 3.25 0.00 0.00 -0.40 -0.99 105.19 108.01 2hlu n GLY 32 Ca -0.20 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 2hlu n GLY 32 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2hlu s TRP 33 N -3.39 0.79 -0.01 1.61 -2.14 0.20 -1.37 118.94 114.63 2hlu s TRP 33 Ca 0.00 -1.12 0.01 0.00 2.66 0.00 0.00 56.10 57.66 2hlu s TRP 33 Cb 0.00 -0.34 0.00 0.00 -3.10 0.00 0.00 33.47 30.03 2hlu s TRP 33 CO 0.00 -0.64 -0.05 0.54 -2.66 0.00 0.00 176.95 174.14 2hlu s VAL 34 N -4.06 0.40 0.10 -0.66 0.11 -0.19 -1.50 120.40 114.60 2hlu s VAL 34 Ca 0.26 -0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 59.01 2hlu s VAL 34 Cb 0.06 -0.36 0.01 0.00 -1.53 0.00 0.00 36.38 34.56 2hlu s VAL 34 CO 0.05 0.13 0.27 -1.59 -3.33 0.00 0.00 175.10 170.63 2hlu s LYS 35 N 0.10 0.92 0.18 1.54 -2.85 0.47 -1.05 119.74 119.05 2hlu s LYS 35 Ca -0.01 -0.84 -0.31 0.00 -1.00 0.00 0.00 55.97 53.81 2hlu s LYS 35 Cb -0.04 0.39 -0.10 0.00 -2.06 0.00 0.00 37.83 36.01 2hlu s LYS 35 CO -0.00 -0.32 1.54 1.21 0.10 0.00 0.00 175.35 177.88 2hlu s ASN 36 N -2.80 6.59 0.28 0.03 2.47 -1.20 -0.64 114.94 119.68 2hlu s ASN 36 Ca 0.04 2.63 -0.15 0.00 0.42 0.00 0.00 52.86 55.80 2hlu s ASN 36 Cb 0.03 -2.60 -0.09 0.00 -1.45 0.00 0.00 41.25 37.15 2hlu s ASN 36 CO -0.11 -0.80 0.70 -0.60 -3.72 0.00 0.00 177.10 172.57 2hlu s ARG 37 N 0.80 4.01 0.47 0.43 3.52 0.09 -2.90 118.95 125.38 2hlu s ARG 37 Ca 0.68 0.64 0.20 0.00 -0.13 0.00 0.00 55.73 57.11 2hlu s ARG 37 Cb -0.43 -2.56 1.19 0.00 -1.56 0.00 0.00 34.95 31.59 2hlu s ARG 37 CO 0.34 0.23 1.96 0.22 -0.81 0.00 0.00 175.30 177.24 2hlu h ASP 38 N 2.54 0.22 0.43 -2.12 3.58 -1.87 0.93 116.42 120.14 2hlu h ASP 38 Ca -0.48 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 2hlu h ASP 38 Cb 1.18 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 2hlu h ASP 38 CO 0.66 0.12 -0.03 -0.78 -2.88 0.00 0.00 179.24 176.33 2hlu h ASP 39 N 0.24 0.00 0.00 2.28 3.58 -1.99 -3.46 116.42 117.07 2hlu h ASP 39 Ca 0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 2hlu h ASP 39 Cb 0.89 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2hlu h ASP 39 CO -0.07 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 176.93 2hlu n GLY 40 N -0.61 0.75 3.88 -0.78 0.00 0.32 -5.12 105.19 103.63 2hlu n GLY 40 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2hlu n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hlu s ARG 41 N -0.49 0.76 0.06 1.61 1.81 -1.25 -4.83 118.95 116.63 2hlu s ARG 41 Ca 0.00 -0.21 -0.04 0.00 -1.72 0.00 0.00 55.73 53.76 2hlu s ARG 41 Cb 0.00 -1.84 -0.05 0.00 -0.45 0.00 0.00 34.95 32.61 2hlu s ARG 41 CO 0.00 -2.36 0.27 0.08 -0.68 0.00 0.00 175.30 172.61 2hlu s VAL 42 N -3.69 5.30 -0.02 3.52 1.01 -0.49 -0.73 120.40 125.31 2hlu s VAL 42 Ca 0.70 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.63 2hlu s VAL 42 Cb -0.07 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.71 2hlu s VAL 42 CO 0.52 0.20 -0.06 -0.70 0.00 0.00 0.00 175.10 175.06 2hlu s GLU 43 N -2.27 0.63 0.01 2.72 2.12 0.19 -1.04 118.70 121.06 2hlu s GLU 43 Ca 0.34 -0.20 0.04 0.00 0.36 0.00 0.00 54.97 55.50 2hlu s GLU 43 Cb -0.13 -0.62 -0.01 0.00 0.26 0.00 0.00 34.13 33.63 2hlu s GLU 43 CO 0.23 0.08 -0.12 0.42 -0.54 0.00 0.00 175.26 175.33 2hlu s ILE 44 N 0.15 0.93 -0.07 -3.70 1.01 0.31 -0.40 121.20 119.44 2hlu s ILE 44 Ca -0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.91 2hlu s ILE 44 Cb -0.06 -0.82 0.04 0.00 0.01 0.00 0.00 42.46 41.63 2hlu s ILE 44 CO -0.00 0.12 0.13 -0.22 0.00 0.00 0.00 174.94 174.96 2hlu s LEU 45 N -0.66 0.18 0.06 2.97 0.20 -0.56 -0.72 118.68 120.15 2hlu s LEU 45 Ca 0.02 0.26 -0.05 0.00 0.69 0.00 0.00 54.13 55.05 2hlu s LEU 45 Cb -0.06 0.19 -0.02 0.00 -0.43 0.00 0.00 46.19 45.87 2hlu s LEU 45 CO 0.00 -0.22 0.09 0.00 -0.29 0.00 0.00 176.35 175.93 2hlu s ALA 46 N 1.99 0.06 0.05 5.97 0.00 -0.73 -0.63 121.76 128.47 2hlu s ALA 46 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2hlu s ALA 46 Cb -0.12 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 2hlu s ALA 46 CO -0.05 -0.39 -0.05 -1.83 0.00 0.00 0.00 175.76 173.44 2hlu s GLU 47 N -3.40 0.57 0.00 0.00 -1.05 -0.16 -1.19 118.70 113.47 2hlu s GLU 47 Ca 0.02 -1.01 0.00 0.00 -0.15 0.00 0.00 54.97 53.83 2hlu s GLU 47 Cb 0.04 -0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 2hlu s GLU 47 CO -0.08 -0.04 0.00 0.41 0.95 0.00 0.00 175.26 176.49 2hlu n GLY 48 N 0.70 -1.12 3.78 -3.83 0.00 -0.54 -2.39 105.19 101.79 2hlu n GLY 48 Ca -0.18 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 2hlu n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hlu s PRO 49 N -2.00 3.48 0.22 1.61 0.04 -1.26 -0.83 135.00 136.25 2hlu s PRO 49 Ca 0.00 1.61 -0.09 0.00 0.04 0.00 0.00 61.00 62.57 2hlu s PRO 49 Cb 0.00 -2.09 0.23 0.00 0.04 0.00 0.00 34.50 32.69 2hlu s PRO 49 CO 0.00 -0.75 1.85 1.49 0.04 0.00 0.00 177.00 179.63 2hlu h GLU 50 N 1.39 0.85 -0.37 4.56 4.81 -1.93 -1.37 114.58 122.53 2hlu h GLU 50 Ca -0.50 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 58.55 2hlu h GLU 50 Cb 1.25 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 2hlu h GLU 50 CO 0.58 0.56 -0.29 -0.97 -0.73 0.00 0.00 179.01 178.16 2hlu h ASN 51 N 0.88 0.82 -0.58 1.04 -1.24 -1.99 0.56 115.58 115.06 2hlu h ASN 51 Ca 0.31 -0.33 -0.08 0.00 0.71 0.00 0.00 56.30 56.91 2hlu h ASN 51 Cb 0.08 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.88 2hlu h ASN 51 CO -0.13 1.05 0.03 0.00 -1.29 0.00 0.00 177.43 177.09 2hlu h ALA 52 N 1.00 0.78 -0.66 1.57 0.00 -1.83 -1.23 119.26 118.89 2hlu h ALA 52 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2hlu h ALA 52 Cb 0.83 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2hlu h ALA 52 CO 0.07 0.58 0.33 -0.07 0.00 0.00 0.00 179.25 180.17 2hlu h LEU 53 N 0.89 0.85 -0.33 0.00 3.38 -0.91 -0.49 115.31 118.71 2hlu h LEU 53 Ca 0.17 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2hlu h LEU 53 Cb 0.51 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2hlu h LEU 53 CO 0.02 0.73 0.16 1.56 0.09 0.00 0.00 178.44 181.00 2hlu h GLN 54 N 0.91 0.47 -0.84 1.13 1.08 -0.65 -0.65 115.11 116.55 2hlu h GLN 54 Ca 0.23 -0.07 0.06 0.00 -1.45 0.00 0.00 58.65 57.42 2hlu h GLN 54 Cb 0.09 -0.08 -0.05 0.00 -0.05 0.00 0.00 27.48 27.39 2hlu h GLN 54 CO -0.03 0.43 0.55 0.77 -0.95 0.00 0.00 178.83 179.60 2hlu h SER 55 N 0.39 0.83 0.14 1.46 0.02 -1.02 -1.04 113.55 114.33 2hlu h SER 55 Ca 0.11 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 2hlu h SER 55 Cb 0.12 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2hlu h SER 55 CO -0.01 0.54 -0.49 0.15 -1.14 0.00 0.00 176.83 175.88 2hlu h PHE 56 N 0.94 0.49 -0.70 3.45 3.57 -0.45 -1.17 116.94 123.08 2hlu h PHE 56 Ca 0.36 -0.16 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 2hlu h PHE 56 Cb 0.20 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2hlu h PHE 56 CO -0.00 0.81 0.28 0.28 -2.23 0.00 0.00 178.31 177.45 2hlu h VAL 57 N 0.32 1.25 -0.98 1.41 2.07 0.03 0.19 116.25 120.54 2hlu h VAL 57 Ca 0.02 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.78 2hlu h VAL 57 Cb 0.98 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 2hlu h VAL 57 CO 0.08 0.31 0.65 -0.33 0.02 0.00 0.00 177.57 178.30 2hlu h GLU 58 N 1.00 1.26 -0.04 1.57 4.39 -0.87 0.55 114.58 122.44 2hlu h GLU 58 Ca 0.23 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 2hlu h GLU 58 Cb 0.21 -0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2hlu h GLU 58 CO -0.02 0.83 0.01 0.00 -1.16 0.00 0.00 179.01 178.67 2hlu h ALA 59 N 1.40 0.05 -0.30 3.43 0.00 -0.83 -3.10 119.26 119.92 2hlu h ALA 59 Ca 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2hlu h ALA 59 Cb -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2hlu h ALA 59 CO -0.10 -0.32 0.11 0.28 0.00 0.00 0.00 179.25 179.23 2hlu h VAL 60 N -0.17 1.19 0.00 0.00 2.07 -0.45 -2.77 116.25 116.13 2hlu h VAL 60 Ca 0.01 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.94 2hlu h VAL 60 Cb 0.25 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2hlu h VAL 60 CO 0.00 0.20 0.00 0.07 0.02 0.00 0.00 177.57 177.86 2hlu h LYS 61 N 0.34 0.00 0.00 1.57 2.10 -0.98 -0.63 116.57 118.98 2hlu h LYS 61 Ca 0.10 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.68 2hlu h LYS 61 Cb 0.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 2hlu h LYS 61 CO -0.01 0.00 -0.32 -0.97 -2.00 0.00 0.00 179.45 176.15 2hlu h ASN 62 N 0.00 0.00 -3.66 7.07 -1.24 -1.41 -3.47 115.58 112.88 2hlu h ASN 62 Ca 0.00 0.00 0.21 0.00 0.71 0.00 0.00 56.30 57.22 2hlu h ASN 62 Cb 0.33 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.31 2hlu h ASN 62 CO 0.00 0.32 -0.38 0.61 -1.29 0.00 0.00 177.43 176.69 2hlu n GLY 63 N -0.25 -1.94 3.77 1.57 0.00 -0.24 -4.75 105.19 103.35 2hlu n GLY 63 Ca -0.01 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 2hlu n GLY 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hlu s SER 64 N -5.46 4.51 0.00 1.61 1.04 -1.26 -4.87 113.70 109.27 2hlu s SER 64 Ca 0.00 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.17 2hlu s SER 64 Cb 0.00 -2.47 0.00 0.00 0.10 0.00 0.00 66.02 63.65 2hlu s SER 64 CO 0.00 -2.02 0.41 -2.65 0.98 0.00 0.00 173.24 169.96 2hlu n PRO 65 N -3.51 0.00 0.00 4.02 -0.02 -1.26 -1.51 135.00 132.72 2hlu n PRO 65 Ca 0.09 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 2hlu n PRO 65 Cb 0.53 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 2hlu n PRO 65 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2hlu n PHE 66 N -0.91 0.00 -4.42 6.00 3.72 -1.26 -5.07 117.46 115.52 2hlu n PHE 66 Ca 0.00 -0.35 -0.21 0.00 -0.05 0.00 0.00 57.45 56.84 2hlu n PHE 66 Cb 0.08 -0.03 -0.10 0.00 -0.94 0.00 0.00 39.48 38.49 2hlu n PHE 66 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2hlu s SER 67 N -0.70 2.09 -0.36 4.37 0.01 -0.57 -4.84 113.70 113.71 2hlu s SER 67 Ca 0.00 -1.43 0.01 0.00 1.31 0.00 0.00 55.95 55.84 2hlu s SER 67 Cb 0.00 0.09 0.14 0.00 0.21 0.00 0.00 66.02 66.47 2hlu s SER 67 CO 0.00 -0.70 0.25 -0.75 0.41 0.00 0.00 173.24 172.45 2hlu s LYS 68 N -3.90 0.57 0.31 12.44 2.20 -0.03 -4.63 119.74 126.70 2hlu s LYS 68 Ca 0.35 -1.20 -0.30 0.00 -0.36 0.00 0.00 55.97 54.46 2hlu s LYS 68 Cb 0.07 -1.14 -0.11 0.00 -1.51 0.00 0.00 37.83 35.14 2hlu s LYS 68 CO 0.15 -1.21 1.58 1.55 -0.36 0.00 0.00 175.35 177.06 2hlu n VAL 69 N 4.10 1.23 0.00 4.02 3.14 -1.26 -0.70 118.33 128.85 2hlu n VAL 69 Ca 0.12 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 61.19 2hlu n VAL 69 Cb 0.39 -1.97 0.00 0.00 -1.06 0.00 0.00 33.84 31.20 2hlu n VAL 69 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2hlu n THR 70 N 1.79 0.00 -3.70 1.55 -2.24 0.11 -4.93 114.28 106.86 2hlu n THR 70 Ca 0.07 -0.23 -0.14 0.00 -2.27 0.00 0.00 64.05 61.48 2hlu n THR 70 Cb 0.37 0.73 -0.09 0.00 -2.10 0.00 0.00 70.33 69.24 2hlu n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2hlu s ASP 71 N -1.35 -0.41 -0.04 3.42 2.15 -0.89 -4.99 116.67 114.56 2hlu s ASP 71 Ca 0.00 0.60 -0.06 0.00 0.43 0.00 0.00 52.55 53.52 2hlu s ASP 71 Cb 0.00 0.65 0.01 0.00 -0.30 0.00 0.00 42.92 43.28 2hlu s ASP 71 CO 0.00 -0.34 0.15 -0.51 -0.17 0.00 0.00 175.17 174.30 2hlu s ILE 72 N -0.56 0.03 -0.03 4.11 2.07 -1.26 -0.98 121.20 124.59 2hlu s ILE 72 Ca -0.07 -0.26 -0.01 0.00 -1.41 0.00 0.00 60.65 58.90 2hlu s ILE 72 Cb -0.03 -0.30 0.03 0.00 0.13 0.00 0.00 42.46 42.29 2hlu s ILE 72 CO 0.04 -0.14 0.05 -0.44 -1.91 0.00 0.00 174.94 172.53 2hlu s SER 73 N -0.47 0.03 0.04 4.50 0.01 -0.29 -5.01 113.70 112.52 2hlu s SER 73 Ca -0.06 0.09 0.05 0.00 1.31 0.00 0.00 55.95 57.35 2hlu s SER 73 Cb -0.04 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.16 2hlu s SER 73 CO 0.01 -0.12 -0.16 0.54 0.41 0.00 0.00 173.24 173.92 2hlu s VAL 74 N 0.99 1.26 -0.10 3.43 0.11 -1.26 -0.44 120.40 124.39 2hlu s VAL 74 Ca -0.08 -1.06 -0.03 0.00 -2.93 0.00 0.00 61.98 57.88 2hlu s VAL 74 Cb -0.11 -1.12 0.04 0.00 -1.53 0.00 0.00 36.38 33.65 2hlu s VAL 74 CO -0.03 0.05 0.05 -0.89 -3.33 0.00 0.00 175.10 170.94 2hlu s THR 75 N -0.85 0.12 0.88 5.04 2.01 -0.23 -5.01 115.64 117.60 2hlu s THR 75 Ca 0.03 0.05 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 2hlu s THR 75 Cb -0.08 -0.49 0.12 0.00 0.01 0.00 0.00 72.50 72.06 2hlu s THR 75 CO 0.01 0.02 1.10 -1.83 -0.69 0.00 0.00 174.62 173.24 2hlu s GLU 76 N 2.06 1.33 0.16 4.92 -1.05 -1.26 -0.78 118.70 124.08 2hlu s GLU 76 Ca 0.03 1.08 -0.15 0.00 -0.15 0.00 0.00 54.97 55.78 2hlu s GLU 76 Cb -0.14 -1.80 0.02 0.00 -0.44 0.00 0.00 34.13 31.78 2hlu s GLU 76 CO -0.06 -2.27 0.41 -1.12 0.95 0.00 0.00 175.26 173.18 2hlu s SER 77 N -3.18 -0.17 -0.13 0.83 0.01 -0.20 -4.82 113.70 106.04 2hlu s SER 77 Ca 0.64 -0.50 0.24 0.00 1.31 0.00 0.00 55.95 57.64 2hlu s SER 77 Cb -0.19 0.50 0.47 0.00 0.21 0.00 0.00 66.02 67.01 2hlu s SER 77 CO 0.58 -0.93 1.14 0.54 0.41 0.00 0.00 173.24 174.98 2hlu n ARG 78 N -0.26 0.90 -3.17 12.44 1.74 -1.26 -3.19 116.66 123.86 2hlu n ARG 78 Ca -0.12 -2.78 -0.21 0.00 -0.77 0.00 0.00 57.85 53.98 2hlu n ARG 78 Cb 0.63 -0.83 -0.04 0.00 -1.02 0.00 0.00 32.46 31.20 2hlu n ARG 78 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2hlu n SER 79 N -0.07 1.29 -4.55 0.55 7.64 -1.26 -5.09 113.62 112.13 2hlu n SER 79 Ca 0.07 -3.05 -0.35 0.00 1.01 0.00 0.00 58.87 56.55 2hlu n SER 79 Cb 0.97 -0.62 0.09 0.00 -1.01 0.00 0.00 64.21 63.65 2hlu n SER 79 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2hlu n LEU 80 N 0.46 2.31 -0.12 -3.43 4.32 -1.26 -4.95 117.00 114.34 2hlu n LEU 80 Ca 0.25 0.59 -0.13 0.00 -0.02 0.00 0.00 56.01 56.69 2hlu n LEU 80 Cb 0.59 -1.34 -0.02 0.00 -1.62 0.00 0.00 43.42 41.03 2hlu n LEU 80 CO 0.23 -2.53 0.54 -0.33 -1.22 0.00 0.00 177.39 174.07 2hlu h GLU 81 N -0.57 0.94 -4.33 3.23 4.39 -1.97 -3.47 114.58 112.80 2hlu h GLU 81 Ca -0.46 -0.51 -0.34 0.00 0.34 0.00 0.00 59.36 58.40 2hlu h GLU 81 Cb 1.33 0.02 0.08 0.00 -0.10 0.00 0.00 28.75 30.08 2hlu h GLU 81 CO 0.44 1.16 -0.53 0.41 -1.16 0.00 0.00 179.01 179.33 2hlu n GLY 82 N 0.16 -0.31 3.83 -3.84 0.00 -1.26 -5.03 105.19 98.75 2hlu n GLY 82 Ca -0.02 0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2hlu n GLY 82 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2hlu s HIS 83 N -3.16 2.87 0.00 1.61 5.04 -1.26 -5.03 115.29 115.36 2hlu s HIS 83 Ca 0.36 0.97 0.08 0.00 -1.54 0.00 0.00 55.06 54.93 2hlu s HIS 83 Cb -0.16 -3.25 0.14 0.00 0.04 0.00 0.00 32.58 29.35 2hlu s HIS 83 CO 0.44 -1.81 1.03 1.58 -2.34 0.00 0.00 174.74 173.65 2hlu n HIS 84 N -3.41 0.00 -3.85 3.88 -0.00 -1.26 -4.95 115.22 105.63 2hlu n HIS 84 Ca 0.07 -0.17 -0.07 0.00 0.46 0.00 0.00 57.72 58.00 2hlu n HIS 84 Cb 0.58 -0.06 -0.01 0.00 -0.12 0.00 0.00 29.99 30.39 2hlu n HIS 84 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 2hlu s ARG 85 N 0.00 1.91 -0.06 1.57 1.70 -1.26 -5.09 118.95 117.72 2hlu s ARG 85 Ca 0.11 -1.11 0.05 0.00 -0.47 0.00 0.00 55.73 54.30 2hlu s ARG 85 Cb 0.12 0.61 -0.00 0.00 -0.57 0.00 0.00 34.95 35.12 2hlu s ARG 85 CO -0.05 -0.88 -0.21 0.12 -1.08 0.00 0.00 175.30 173.20 2hlu s PHE 86 N -3.50 2.12 0.26 5.89 2.19 -1.26 -1.27 117.98 122.41 2hlu s PHE 86 Ca 0.12 -0.71 0.10 0.00 0.33 0.00 0.00 56.93 56.78 2hlu s PHE 86 Cb -0.06 -1.42 -0.05 0.00 -1.31 0.00 0.00 43.02 40.18 2hlu s PHE 86 CO 0.08 -0.26 -0.17 -1.12 1.83 0.00 0.00 175.22 175.58 2hlu s SER 87 N 0.12 3.26 -0.06 6.13 0.01 -0.47 -4.95 113.70 117.74 2hlu s SER 87 Ca -0.09 -1.04 0.05 0.00 1.31 0.00 0.00 55.95 56.18 2hlu s SER 87 Cb -0.14 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.82 2hlu s SER 87 CO 0.04 -0.05 -0.22 -0.63 0.41 0.00 0.00 173.24 172.79 2hlu s ILE 88 N -2.67 2.32 0.31 1.44 1.01 -1.26 -1.02 121.20 121.33 2hlu s ILE 88 Ca 0.28 -0.97 0.06 0.00 0.00 0.00 0.00 60.65 60.02 2hlu s ILE 88 Cb -0.03 -1.86 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 2hlu s ILE 88 CO 0.12 0.57 0.29 0.52 0.00 0.00 0.00 174.94 176.44 2hlu n VAL 89 N 2.87 0.00 -0.85 2.92 0.31 -0.21 -4.95 118.33 118.42 2hlu n VAL 89 Ca -0.17 -2.23 0.00 0.00 -0.01 0.00 0.00 64.34 61.92 2hlu n VAL 89 Cb 0.52 1.14 0.00 0.00 -0.91 0.00 0.00 33.84 34.59 2hlu n VAL 89 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2hlu n TYR 90 N -0.59 0.00 -0.14 3.52 4.02 -1.26 -3.28 117.16 119.43 2hlu n TYR 90 Ca 0.07 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 2hlu n TYR 90 Cb 0.57 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 2hlu n TYR 90 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28