#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hlu n LEU 2 N 0.00 0.00 -4.09 4.03 4.77 -0.09 -4.95 117.00 116.67 2hlu n LEU 2 Ca 0.00 -3.07 -0.11 0.00 -0.03 0.00 0.00 56.01 52.80 2hlu n LEU 2 Cb 0.00 1.89 -0.11 0.00 -2.33 0.00 0.00 43.42 42.87 2hlu n LEU 2 CO 0.00 -0.56 -0.39 -1.58 -1.33 0.00 0.00 177.39 173.54 2hlu s GLN 3 N -3.21 0.62 0.20 3.23 0.74 -0.52 -1.41 119.66 119.31 2hlu s GLN 3 Ca 0.37 -1.00 -0.02 0.00 0.05 0.00 0.00 55.36 54.76 2hlu s GLN 3 Cb 0.01 -0.16 -0.04 0.00 1.10 0.00 0.00 33.01 33.93 2hlu s GLN 3 CO 0.26 -0.00 0.14 1.52 -0.55 0.00 0.00 175.29 176.66 2hlu s TYR 4 N -2.50 1.08 -0.03 1.67 -0.85 -0.67 -0.88 117.35 115.17 2hlu s TYR 4 Ca -0.01 -1.33 0.02 0.00 -0.52 0.00 0.00 57.07 55.23 2hlu s TYR 4 Cb -0.02 -0.51 0.01 0.00 0.38 0.00 0.00 41.96 41.82 2hlu s TYR 4 CO -0.03 -0.65 -0.07 0.50 -1.52 0.00 0.00 175.55 173.78 2hlu s ARG 5 N -4.14 0.94 -0.02 -3.49 3.52 -0.26 -2.01 118.95 113.49 2hlu s ARG 5 Ca 0.37 -0.23 0.03 0.00 -0.13 0.00 0.00 55.73 55.76 2hlu s ARG 5 Cb 0.07 -0.88 -0.00 0.00 -1.56 0.00 0.00 34.95 32.57 2hlu s ARG 5 CO 0.11 0.04 -0.10 0.42 -0.81 0.00 0.00 175.30 174.95 2hlu s ILE 6 N 0.46 0.84 -0.06 4.11 1.01 0.22 -0.77 121.20 127.01 2hlu s ILE 6 Ca -0.07 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.20 2hlu s ILE 6 Cb -0.11 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 2hlu s ILE 6 CO 0.01 0.25 -0.12 -0.63 0.00 0.00 0.00 174.94 174.44 2hlu s ILE 7 N 0.02 3.24 -0.02 2.92 -1.09 -0.03 -0.61 121.20 125.63 2hlu s ILE 7 Ca -0.00 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 57.78 2hlu s ILE 7 Cb -0.07 -2.29 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 2hlu s ILE 7 CO 0.00 0.59 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.55 2hlu s VAL 8 N -0.72 0.51 0.07 2.92 1.01 -0.20 -1.08 120.40 122.92 2hlu s VAL 8 Ca 0.11 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.90 2hlu s VAL 8 Cb -0.11 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 2hlu s VAL 8 CO 0.01 0.17 -0.12 -0.62 0.00 0.00 0.00 175.10 174.53 2hlu s ASP 9 N 0.14 1.50 0.00 3.32 2.15 -0.22 -1.22 116.67 122.33 2hlu s ASP 9 Ca -0.01 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 52.32 2hlu s ASP 9 Cb -0.06 -0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.54 2hlu s ASP 9 CO -0.00 -0.14 0.00 0.61 -0.17 0.00 0.00 175.17 175.47 2hlu n GLY 10 N 1.15 0.73 3.56 2.66 0.00 -1.26 -0.77 105.19 111.25 2hlu n GLY 10 Ca -0.20 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.51 2hlu n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hlu s ARG 11 N -1.14 2.90 0.00 1.61 3.52 -0.10 -4.39 118.95 121.35 2hlu s ARG 11 Ca 0.00 -0.73 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 2hlu s ARG 11 Cb 0.00 -5.19 0.00 0.00 -1.56 0.00 0.00 34.95 28.20 2hlu s ARG 11 CO 0.00 -3.10 0.00 1.33 -0.81 0.00 0.00 175.30 172.72 2hlu n VAL 12 N 7.53 0.00 0.09 7.11 0.24 -1.26 -1.38 118.33 130.65 2hlu n VAL 12 Ca 0.40 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.47 2hlu n VAL 12 Cb 0.48 -0.32 -0.15 0.00 -1.47 0.00 0.00 33.84 32.38 2hlu n VAL 12 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2hlu h GLN 13 N 0.00 0.41 0.00 7.34 4.20 -1.98 -1.42 115.11 123.65 2hlu h GLN 13 Ca 0.00 -0.69 0.00 0.00 0.06 0.00 0.00 58.65 58.02 2hlu h GLN 13 Cb 0.34 0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.38 2hlu h GLN 13 CO 0.00 1.32 0.00 0.41 -0.67 0.00 0.00 178.83 179.89 2hlu n GLY 14 N 1.79 -0.63 0.03 3.46 0.00 -1.26 -2.80 105.19 105.78 2hlu n GLY 14 Ca -0.21 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2hlu n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2hlu n VAL 15 N -0.94 0.49 -2.31 1.61 0.24 -1.23 -5.04 118.33 111.16 2hlu n VAL 15 Ca 0.13 -0.51 -0.12 0.00 -2.04 0.00 0.00 64.34 61.81 2hlu n VAL 15 Cb 0.06 0.72 -0.00 0.00 -1.47 0.00 0.00 33.84 33.15 2hlu n VAL 15 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hlu n GLY 16 N -0.27 -0.09 0.40 7.63 0.00 -1.12 -4.91 105.19 106.83 2hlu n GLY 16 Ca 0.01 -0.37 0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.15 0.16 -0.88 1.61 3.57 -1.52 -1.24 116.94 118.50 2hlu h PHE 17 Ca -0.28 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.34 2hlu h PHE 17 Cb 1.21 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.83 2hlu h PHE 17 CO 0.31 0.06 0.57 0.00 -2.23 0.00 0.00 178.31 177.01 2hlu h ARG 18 N 0.13 0.75 -0.27 1.11 3.08 -1.91 -0.36 114.38 116.92 2hlu h ARG 18 Ca 0.34 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 60.15 2hlu h ARG 18 Cb 1.14 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2hlu h ARG 18 CO -0.05 0.50 -0.57 1.88 -1.07 0.00 0.00 179.97 180.66 2hlu h TYR 19 N 0.77 1.07 -0.08 3.04 0.05 -1.61 -0.51 116.97 119.70 2hlu h TYR 19 Ca 0.42 -0.39 0.01 0.00 0.05 0.00 0.00 58.73 58.82 2hlu h TYR 19 Cb 0.56 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.09 2hlu h TYR 19 CO -0.00 1.22 0.02 0.35 -1.05 0.00 0.00 178.16 178.69 2hlu h PHE 20 N 0.64 0.03 -0.75 4.88 3.57 -1.27 -1.24 116.94 122.80 2hlu h PHE 20 Ca 0.01 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.56 2hlu h PHE 20 Cb 1.18 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 2hlu h PHE 20 CO 0.07 0.02 0.46 0.28 -2.23 0.00 0.00 178.31 176.91 2hlu h VAL 21 N 0.06 1.06 -0.24 1.41 2.07 -1.08 -1.06 116.25 118.47 2hlu h VAL 21 Ca 0.03 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.29 2hlu h VAL 21 Cb 0.02 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 2hlu h VAL 21 CO -0.04 0.16 0.03 -0.61 0.02 0.00 0.00 177.57 177.13 2hlu h GLN 22 N 0.88 0.12 -0.23 1.57 5.75 -0.45 -0.12 115.11 122.62 2hlu h GLN 22 Ca 0.31 -0.01 -0.17 0.00 -0.15 0.00 0.00 58.65 58.64 2hlu h GLN 22 Cb 0.09 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.61 2hlu h GLN 22 CO -0.14 0.08 -0.55 0.52 -2.65 0.00 0.00 178.83 176.09 2hlu h MET 23 N 0.12 0.70 -0.01 1.69 2.86 -0.89 -0.73 114.93 118.66 2hlu h MET 23 Ca 0.11 -0.44 -0.10 0.00 -2.06 0.00 0.00 59.70 57.21 2hlu h MET 23 Cb 0.12 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2hlu h MET 23 CO -0.16 1.06 -0.45 0.93 1.06 0.00 0.00 176.91 179.35 2hlu h GLU 24 N 0.54 0.03 -0.12 1.72 4.39 -0.96 -0.81 114.58 119.37 2hlu h GLU 24 Ca 0.01 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2hlu h GLU 24 Cb 1.12 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2hlu h GLU 24 CO 0.11 0.47 -0.35 0.00 -1.16 0.00 0.00 179.01 178.09 2hlu h ALA 25 N 1.52 0.20 -0.61 3.43 0.00 -0.83 -3.27 119.26 119.72 2hlu h ALA 25 Ca -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 2hlu h ALA 25 Cb 0.80 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2hlu h ALA 25 CO 0.06 0.27 0.20 0.22 0.00 0.00 0.00 179.25 180.00 2hlu h ASP 26 N 0.03 0.88 0.51 0.00 3.58 -0.85 -0.65 116.42 119.92 2hlu h ASP 26 Ca -0.01 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2hlu h ASP 26 Cb 0.97 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.79 2hlu h ASP 26 CO 0.07 0.85 0.00 2.29 -2.88 0.00 0.00 179.24 179.57 2hlu n LYS 27 N -4.40 0.14 -0.03 0.28 -0.00 -0.33 -0.86 118.16 112.94 2hlu n LYS 27 Ca 0.04 0.43 0.09 0.00 -0.00 0.00 0.00 58.31 58.87 2hlu n LYS 27 Cb 0.20 -1.79 0.10 0.00 -0.00 0.00 0.00 35.03 33.54 2hlu n LYS 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2hlu n ARG 28 N -2.06 1.75 -4.40 -1.58 5.12 -0.72 -4.99 116.66 109.78 2hlu n ARG 28 Ca 0.02 -1.72 -0.38 0.00 -1.93 0.00 0.00 57.85 53.84 2hlu n ARG 28 Cb 0.17 -1.37 -0.07 0.00 -1.16 0.00 0.00 32.46 30.03 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 1.08 -1.39 -1.18 5.56 4.76 -0.04 -4.98 118.16 121.97 2hlu n LYS 29 Ca 0.12 0.19 -0.30 0.00 -2.87 0.00 0.00 58.31 55.45 2hlu n LYS 29 Cb 0.48 -4.52 0.15 0.00 -1.84 0.00 0.00 35.03 29.29 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 -7.27 2.16 0.00 -0.35 1.43 -0.59 -5.01 118.68 109.05 2hlu s LEU 30 Ca 0.58 1.46 0.01 0.00 -1.03 0.00 0.00 54.13 55.16 2hlu s LEU 30 Cb -0.33 -3.85 -0.01 0.00 0.03 0.00 0.00 46.19 42.03 2hlu s LEU 30 CO 1.00 -2.74 -0.05 0.00 0.23 0.00 0.00 176.35 174.79 2hlu s ALA 31 N -2.92 0.40 0.00 4.21 0.00 -1.20 -3.84 121.76 118.41 2hlu s ALA 31 Ca 0.64 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2hlu s ALA 31 Cb -0.18 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.87 2hlu s ALA 31 CO 0.57 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.81 2hlu n GLY 32 N 2.70 0.52 3.16 0.00 0.00 -0.75 -1.21 105.19 109.61 2hlu n GLY 32 Ca -0.15 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 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 -3.56 0.85 -0.01 1.61 -2.14 -0.15 -1.06 118.94 114.48 2hlu s TRP 33 Ca 0.00 -1.22 0.01 0.00 2.66 0.00 0.00 56.10 57.55 2hlu s TRP 33 Cb 0.00 -0.47 0.00 0.00 -3.10 0.00 0.00 33.47 29.90 2hlu s TRP 33 CO 0.00 -0.53 -0.04 0.54 -2.66 0.00 0.00 176.95 174.27 2hlu s VAL 34 N -4.05 0.30 0.34 -0.66 0.11 -0.14 -1.30 120.40 115.02 2hlu s VAL 34 Ca 0.24 -0.14 -0.18 0.00 -2.93 0.00 0.00 61.98 58.97 2hlu s VAL 34 Cb 0.07 -0.28 0.05 0.00 -1.53 0.00 0.00 36.38 34.69 2hlu s VAL 34 CO 0.02 0.10 0.79 -1.59 -3.33 0.00 0.00 175.10 171.08 2hlu s LYS 35 N 0.05 2.06 0.78 1.54 -2.85 -0.07 -1.01 119.74 120.23 2hlu s LYS 35 Ca -0.00 -1.28 -0.11 0.00 -1.00 0.00 0.00 55.97 53.59 2hlu s LYS 35 Cb -0.03 0.61 0.06 0.00 -2.06 0.00 0.00 37.83 36.40 2hlu s LYS 35 CO -0.00 -0.96 1.09 1.21 0.10 0.00 0.00 175.35 176.79 2hlu s ASN 36 N -3.04 4.45 -0.01 0.03 2.47 -1.26 -0.66 114.94 116.92 2hlu s ASN 36 Ca 0.14 1.84 0.04 0.00 0.42 0.00 0.00 52.86 55.31 2hlu s ASN 36 Cb -0.05 -2.52 -0.01 0.00 -1.45 0.00 0.00 41.25 37.21 2hlu s ASN 36 CO 0.10 -2.07 -0.13 -0.60 -3.72 0.00 0.00 177.10 170.67 2hlu s ARG 37 N -4.88 1.07 0.53 0.43 3.52 0.35 -4.59 118.95 115.37 2hlu s ARG 37 Ca 0.61 -0.50 0.21 0.00 -0.13 0.00 0.00 55.73 55.92 2hlu s ARG 37 Cb -0.17 -1.04 1.35 0.00 -1.56 0.00 0.00 34.95 33.53 2hlu s ARG 37 CO 0.56 0.28 2.08 0.22 -0.81 0.00 0.00 175.30 177.63 2hlu h ASP 38 N 5.73 0.00 0.35 -2.12 3.58 -1.99 0.29 116.42 122.26 2hlu h ASP 38 Ca -0.34 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.11 2hlu h ASP 38 Cb 1.17 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.21 2hlu h ASP 38 CO 0.48 0.00 -0.02 -0.78 -2.88 0.00 0.00 179.24 176.05 2hlu h ASP 39 N 0.00 0.00 0.00 2.28 3.58 -2.03 -3.45 116.42 116.80 2hlu h ASP 39 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2hlu h ASP 39 Cb 0.46 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2hlu h ASP 39 CO -0.00 0.02 0.00 0.61 -2.88 0.00 0.00 179.24 176.98 2hlu n GLY 40 N -0.71 1.79 3.57 -0.78 0.00 0.04 -5.15 105.19 103.95 2hlu n GLY 40 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.00 1.90 0.08 1.61 1.81 -0.91 -4.93 118.95 118.51 2hlu s ARG 41 Ca 0.00 -2.12 -0.07 0.00 -1.72 0.00 0.00 55.73 51.82 2hlu s ARG 41 Cb 0.00 -1.16 -0.05 0.00 -0.45 0.00 0.00 34.95 33.29 2hlu s ARG 41 CO 0.00 -0.25 0.35 0.08 -0.68 0.00 0.00 175.30 174.80 2hlu s VAL 42 N -3.04 5.19 -0.01 3.52 1.01 -0.36 -0.50 120.40 126.21 2hlu s VAL 42 Ca 0.27 0.20 0.05 0.00 0.00 0.00 0.00 61.98 62.50 2hlu s VAL 42 Cb 0.06 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 2hlu s VAL 42 CO 0.13 0.23 -0.16 -0.70 0.00 0.00 0.00 175.10 174.60 2hlu s GLU 43 N -2.12 1.29 0.01 2.72 2.12 0.16 -1.03 118.70 121.85 2hlu s GLU 43 Ca 0.34 -0.56 0.05 0.00 0.36 0.00 0.00 54.97 55.16 2hlu s GLU 43 Cb -0.13 -1.24 -0.01 0.00 0.26 0.00 0.00 34.13 33.01 2hlu s GLU 43 CO 0.20 0.33 -0.14 0.42 -0.54 0.00 0.00 175.26 175.53 2hlu s ILE 44 N -0.34 1.11 -0.07 -3.70 1.01 0.22 -0.89 121.20 118.54 2hlu s ILE 44 Ca 0.05 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 2hlu s ILE 44 Cb -0.06 -0.96 0.04 0.00 0.01 0.00 0.00 42.46 41.49 2hlu s ILE 44 CO -0.00 0.19 0.16 -0.22 0.00 0.00 0.00 174.94 175.07 2hlu s LEU 45 N -0.64 0.63 -0.03 2.97 0.20 -0.42 -0.61 118.68 120.77 2hlu s LEU 45 Ca 0.04 0.34 -0.06 0.00 0.69 0.00 0.00 54.13 55.14 2hlu s LEU 45 Cb -0.06 0.42 0.01 0.00 -0.43 0.00 0.00 46.19 46.12 2hlu s LEU 45 CO 0.00 -0.16 0.14 0.00 -0.29 0.00 0.00 176.35 176.04 2hlu s ALA 46 N 1.25 -0.33 0.14 5.97 0.00 -0.85 -0.98 121.76 126.96 2hlu s ALA 46 Ca -0.09 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.07 2hlu s ALA 46 Cb -0.11 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 2hlu s ALA 46 CO -0.06 -0.12 0.28 -1.83 0.00 0.00 0.00 175.76 174.03 2hlu s GLU 47 N -0.49 3.45 0.00 0.00 -1.05 -0.35 -1.66 118.70 118.60 2hlu s GLU 47 Ca -0.06 -0.54 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 2hlu s GLU 47 Cb -0.04 -2.97 0.00 0.00 -0.44 0.00 0.00 34.13 30.69 2hlu s GLU 47 CO 0.01 0.52 0.00 0.41 0.95 0.00 0.00 175.26 177.15 2hlu n GLY 48 N -0.42 -0.62 3.79 -3.83 0.00 -0.50 -3.27 105.19 100.35 2hlu n GLY 48 Ca -0.06 -1.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 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 3.23 0.21 1.61 0.04 -1.26 -0.91 135.00 135.92 2hlu s PRO 49 Ca 0.00 1.32 -0.10 0.00 0.04 0.00 0.00 61.00 62.26 2hlu s PRO 49 Cb 0.00 -2.01 0.19 0.00 0.04 0.00 0.00 34.50 32.72 2hlu s PRO 49 CO 0.00 -0.90 1.86 1.49 0.04 0.00 0.00 177.00 179.49 2hlu h GLU 50 N 0.53 0.88 -0.57 4.56 4.81 -1.94 -1.15 114.58 121.70 2hlu h GLU 50 Ca -0.47 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 2hlu h GLU 50 Cb 1.23 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2hlu h GLU 50 CO 0.57 0.58 0.16 -0.97 -0.73 0.00 0.00 179.01 178.62 2hlu h ASN 51 N 0.90 0.84 -0.40 1.04 -1.24 -1.99 0.82 115.58 115.56 2hlu h ASN 51 Ca 0.29 -0.22 -0.06 0.00 0.71 0.00 0.00 56.30 57.02 2hlu h ASN 51 Cb -0.00 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 38.81 2hlu h ASN 51 CO -0.10 0.84 -0.00 0.00 -1.29 0.00 0.00 177.43 176.87 2hlu h ALA 52 N 1.04 0.54 -0.30 1.57 0.00 -1.87 -1.46 119.26 118.77 2hlu h ALA 52 Ca 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2hlu h ALA 52 Cb 0.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2hlu h ALA 52 CO -0.00 0.32 0.17 -0.07 0.00 0.00 0.00 179.25 179.66 2hlu h LEU 53 N 0.53 0.37 -0.44 0.00 3.38 -0.88 0.25 115.31 118.53 2hlu h LEU 53 Ca 0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2hlu h LEU 53 Cb 0.48 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2hlu h LEU 53 CO 0.02 0.35 0.18 1.56 0.09 0.00 0.00 178.44 180.64 2hlu h GLN 54 N 0.37 0.65 -0.96 1.13 1.08 -0.79 -0.11 115.11 116.48 2hlu h GLN 54 Ca 0.11 -0.12 0.05 0.00 -1.45 0.00 0.00 58.65 57.24 2hlu h GLN 54 Cb 0.06 -0.11 -0.06 0.00 -0.05 0.00 0.00 27.48 27.32 2hlu h GLN 54 CO -0.02 0.60 0.63 0.77 -0.95 0.00 0.00 178.83 179.86 2hlu h SER 55 N 0.56 1.03 0.35 1.46 0.02 -1.08 -1.34 113.55 114.55 2hlu h SER 55 Ca 0.15 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.98 2hlu h SER 55 Cb 0.19 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2hlu h SER 55 CO -0.01 0.69 -0.47 0.15 -1.14 0.00 0.00 176.83 176.05 2hlu h PHE 56 N 1.18 0.18 -0.23 3.45 3.57 -0.31 -1.16 116.94 123.62 2hlu h PHE 56 Ca 0.39 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 2hlu h PHE 56 Cb 0.07 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2hlu h PHE 56 CO -0.00 0.59 0.12 0.28 -2.23 0.00 0.00 178.31 177.07 2hlu h VAL 57 N 0.12 1.13 -0.56 1.41 2.07 -0.11 0.66 116.25 120.96 2hlu h VAL 57 Ca 0.01 -0.35 0.03 0.00 0.82 0.00 0.00 66.70 67.20 2hlu h VAL 57 Cb 0.88 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2hlu h VAL 57 CO 0.07 0.12 0.37 -0.33 0.02 0.00 0.00 177.57 177.83 2hlu h GLU 58 N 0.25 0.65 0.40 1.57 5.08 -0.62 0.97 114.58 122.88 2hlu h GLU 58 Ca 0.08 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2hlu h GLU 58 Cb 0.09 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2hlu h GLU 58 CO -0.01 0.43 -0.19 0.00 -1.00 0.00 0.00 179.01 178.24 2hlu h ALA 59 N 1.67 -0.54 -0.42 3.43 0.00 -1.07 -3.34 119.26 118.99 2hlu h ALA 59 Ca 0.22 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.98 2hlu h ALA 59 Cb 0.06 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 2hlu h ALA 59 CO -0.06 -0.61 0.20 0.28 0.00 0.00 0.00 179.25 179.06 2hlu h VAL 60 N -0.93 0.96 0.00 0.00 2.07 0.03 -2.46 116.25 115.92 2hlu h VAL 60 Ca -0.06 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2hlu h VAL 60 Cb 0.55 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 2hlu h VAL 60 CO 0.09 0.07 0.00 0.07 0.02 0.00 0.00 177.57 177.83 2hlu h LYS 61 N 0.41 0.00 0.00 1.57 5.09 -1.00 -0.34 116.57 122.31 2hlu h LYS 61 Ca 0.18 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.85 2hlu h LYS 61 Cb 0.10 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.42 2hlu h LYS 61 CO -0.13 0.00 -0.31 -0.97 -2.09 0.00 0.00 179.45 175.95 2hlu h ASN 62 N 0.00 0.00 -3.04 7.07 -1.24 -1.55 -3.46 115.58 113.35 2hlu h ASN 62 Ca 0.00 0.00 0.08 0.00 0.71 0.00 0.00 56.30 57.09 2hlu h ASN 62 Cb 0.21 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 2hlu h ASN 62 CO 0.00 0.31 -0.10 0.61 -1.29 0.00 0.00 177.43 176.96 2hlu n GLY 63 N -0.35 -1.78 3.71 1.57 0.00 -0.14 -4.65 105.19 103.56 2hlu n GLY 63 Ca -0.01 -1.28 -0.32 0.00 0.00 0.00 0.00 46.02 44.41 2hlu n GLY 63 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hlu s SER 64 N -4.18 3.69 0.47 1.61 0.01 -1.26 -4.87 113.70 109.17 2hlu s SER 64 Ca 0.00 2.13 0.29 0.00 1.31 0.00 0.00 55.95 59.69 2hlu s SER 64 Cb 0.00 -2.56 1.37 0.00 0.21 0.00 0.00 66.02 65.04 2hlu s SER 64 CO 0.00 -2.59 1.74 -0.65 0.41 0.00 0.00 173.24 172.15 2hlu h PRO 65 N -1.24 0.16 0.00 12.44 0.11 -1.99 -0.04 132.00 141.44 2hlu h PRO 65 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2hlu h PRO 65 Cb 1.26 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2hlu h PRO 65 CO 0.46 0.11 0.00 0.74 -0.21 0.00 0.00 178.00 179.10 2hlu h PHE 66 N 0.17 0.00 -4.09 0.65 0.04 -1.94 -3.47 116.94 108.29 2hlu h PHE 66 Ca 0.65 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.96 2hlu h PHE 66 Cb 2.13 0.00 0.14 0.00 2.20 0.00 0.00 35.95 40.42 2hlu h PHE 66 CO -0.00 0.00 0.27 -1.12 -0.60 0.00 0.00 178.31 176.86 2hlu s SER 67 N -5.48 3.07 -0.32 2.17 0.01 -0.03 -5.02 113.70 108.10 2hlu s SER 67 Ca 0.08 0.92 -0.02 0.00 1.31 0.00 0.00 55.95 58.24 2hlu s SER 67 Cb 0.08 -1.44 0.11 0.00 0.21 0.00 0.00 66.02 64.98 2hlu s SER 67 CO 0.63 -2.82 0.15 -0.75 0.41 0.00 0.00 173.24 170.86 2hlu s LYS 68 N -5.28 0.46 0.24 12.44 2.20 -0.48 -4.90 119.74 124.41 2hlu s LYS 68 Ca 0.65 -0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 55.03 2hlu s LYS 68 Cb -0.14 -1.45 -0.10 0.00 -1.51 0.00 0.00 37.83 34.63 2hlu s LYS 68 CO 0.54 -1.07 1.48 0.08 -0.36 0.00 0.00 175.35 176.03 2hlu s VAL 69 N 1.63 2.59 -0.01 4.02 1.01 -1.26 -0.93 120.40 127.46 2hlu s VAL 69 Ca 0.12 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.61 2hlu s VAL 69 Cb -0.19 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2hlu s VAL 69 CO -0.23 0.07 0.07 0.35 0.00 0.00 0.00 175.10 175.36 2hlu n THR 70 N 2.64 0.00 -3.62 3.92 -2.24 0.05 -4.95 114.28 110.08 2hlu n THR 70 Ca 0.08 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.62 2hlu n THR 70 Cb 0.40 0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 69.01 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 -2.31 -0.44 -0.03 3.42 2.15 -1.15 -5.00 116.67 113.30 2hlu s ASP 71 Ca -0.01 0.38 -0.04 0.00 0.43 0.00 0.00 52.55 53.31 2hlu s ASP 71 Cb 0.02 0.45 0.01 0.00 -0.30 0.00 0.00 42.92 43.09 2hlu s ASP 71 CO 0.13 -0.57 0.10 -0.51 -0.17 0.00 0.00 175.17 174.14 2hlu s ILE 72 N -1.51 0.02 0.04 4.11 2.07 -1.26 -1.06 121.20 123.61 2hlu s ILE 72 Ca -0.11 -0.17 0.02 0.00 -1.41 0.00 0.00 60.65 58.98 2hlu s ILE 72 Cb -0.02 -0.20 -0.02 0.00 0.13 0.00 0.00 42.46 42.35 2hlu s ILE 72 CO 0.06 -0.09 -0.07 -0.44 -1.91 0.00 0.00 174.94 172.48 2hlu s SER 73 N -0.26 0.77 0.01 4.50 0.01 -0.24 -5.00 113.70 113.49 2hlu s SER 73 Ca -0.03 -0.58 -0.01 0.00 1.31 0.00 0.00 55.95 56.64 2hlu s SER 73 Cb -0.02 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.25 2hlu s SER 73 CO 0.00 -0.24 0.01 -0.69 0.41 0.00 0.00 173.24 172.73 2hlu s VAL 74 N -1.58 0.06 -0.02 3.43 1.01 -1.26 -0.85 120.40 121.18 2hlu s VAL 74 Ca -0.09 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.43 2hlu s VAL 74 Cb -0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 36.38 36.12 2hlu s VAL 74 CO -0.00 -0.27 -0.11 -0.89 0.00 0.00 0.00 175.10 173.83 2hlu s THR 75 N -0.80 0.90 0.04 3.92 2.01 0.05 -5.00 115.64 116.77 2hlu s THR 75 Ca -0.09 -0.45 0.09 0.00 0.31 0.00 0.00 61.69 61.56 2hlu s THR 75 Cb -0.05 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.64 2hlu s THR 75 CO -0.00 0.27 -0.26 -1.61 -0.69 0.00 0.00 174.62 172.32 2hlu s GLU 76 N 0.02 1.83 0.06 4.92 2.02 -1.26 -1.10 118.70 125.20 2hlu s GLU 76 Ca -0.01 -1.09 -0.10 0.00 0.02 0.00 0.00 54.97 53.79 2hlu s GLU 76 Cb -0.08 -1.99 0.00 0.00 0.10 0.00 0.00 34.13 32.17 2hlu s GLU 76 CO 0.00 0.52 0.21 -1.12 0.02 0.00 0.00 175.26 174.89 2hlu s SER 77 N -1.19 0.05 -0.46 -0.19 0.01 -0.06 -4.99 113.70 106.87 2hlu s SER 77 Ca 0.12 -0.48 0.07 0.00 1.31 0.00 0.00 55.95 56.96 2hlu s SER 77 Cb -0.10 0.32 0.40 0.00 0.21 0.00 0.00 66.02 66.85 2hlu s SER 77 CO 0.02 -0.65 1.04 -1.14 0.41 0.00 0.00 173.24 172.92 2hlu n ARG 78 N 0.31 3.07 -3.78 12.44 0.63 -1.26 -1.43 116.66 126.64 2hlu n ARG 78 Ca -0.17 -4.44 -0.15 0.00 -0.92 0.00 0.00 57.85 52.17 2hlu n ARG 78 Cb 0.61 -2.13 -0.16 0.00 0.45 0.00 0.00 32.46 31.23 2hlu n ARG 78 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 2hlu s SER 79 N -3.44 0.07 0.63 6.15 0.01 -1.26 -5.02 113.70 110.85 2hlu s SER 79 Ca 0.46 0.04 -0.05 0.00 1.31 0.00 0.00 55.95 57.71 2hlu s SER 79 Cb 0.37 -0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.57 2hlu s SER 79 CO -0.15 -0.12 0.92 -0.76 0.41 0.00 0.00 173.24 173.54 2hlu s LEU 80 N 1.03 3.06 -0.00 2.44 2.01 -1.26 -4.41 118.68 121.55 2hlu s LEU 80 Ca -0.09 0.44 0.03 0.00 0.01 0.00 0.00 54.13 54.52 2hlu s LEU 80 Cb -0.12 -3.19 -0.04 0.00 0.01 0.00 0.00 46.19 42.85 2hlu s LEU 80 CO -0.03 -1.32 0.09 1.21 1.01 0.00 0.00 176.35 177.31 2hlu n GLU 81 N -2.68 3.31 -0.85 1.70 4.07 -1.26 -5.02 120.64 119.91 2hlu n GLU 81 Ca 0.07 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 2hlu n GLU 81 Cb 0.59 -0.83 0.00 0.00 -0.06 0.00 0.00 31.44 31.14 2hlu n GLU 81 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2hlu n GLY 82 N 1.65 0.49 3.79 8.31 0.00 -1.26 -4.99 105.19 113.18 2hlu n GLY 82 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2hlu n GLY 82 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hlu s HIS 83 N -2.38 2.83 -0.03 1.61 3.76 -1.26 -4.99 115.29 114.84 2hlu s HIS 83 Ca 0.00 1.54 0.04 0.00 -0.15 0.00 0.00 55.06 56.48 2hlu s HIS 83 Cb 0.00 -3.10 0.06 0.00 1.11 0.00 0.00 32.58 30.65 2hlu s HIS 83 CO 0.00 -1.32 0.89 1.58 -0.85 0.00 0.00 174.74 175.03 2hlu n HIS 84 N -1.92 0.00 -3.89 1.40 -0.00 -1.26 -4.85 115.22 104.70 2hlu n HIS 84 Ca 0.10 -0.37 -0.09 0.00 0.46 0.00 0.00 57.72 57.82 2hlu n HIS 84 Cb 0.52 -0.06 -0.05 0.00 -0.12 0.00 0.00 29.99 30.29 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 -0.91 1.41 0.11 1.57 3.03 -1.26 -4.99 118.95 117.90 2hlu s ARG 85 Ca 0.07 -1.09 0.02 0.00 2.03 0.00 0.00 55.73 56.76 2hlu s ARG 85 Cb 0.06 0.47 -0.04 0.00 -1.03 0.00 0.00 34.95 34.41 2hlu s ARG 85 CO 0.01 -0.58 0.17 0.12 -1.13 0.00 0.00 175.30 173.89 2hlu s PHE 86 N -3.95 3.34 0.06 5.89 5.36 -1.25 -1.81 117.98 125.63 2hlu s PHE 86 Ca 0.16 0.12 0.03 0.00 -0.96 0.00 0.00 56.93 56.28 2hlu s PHE 86 Cb -0.00 -1.65 -0.03 0.00 -0.34 0.00 0.00 43.02 41.00 2hlu s PHE 86 CO 0.03 0.54 -0.09 -1.12 -1.46 0.00 0.00 175.22 173.11 2hlu s SER 87 N -2.75 1.15 0.05 6.13 0.01 -0.23 -4.91 113.70 113.15 2hlu s SER 87 Ca 0.32 -0.65 -0.05 0.00 1.31 0.00 0.00 55.95 56.88 2hlu s SER 87 Cb -0.12 0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.08 2hlu s SER 87 CO 0.25 -0.21 0.28 -0.63 0.41 0.00 0.00 173.24 173.34 2hlu s ILE 88 N -1.75 5.29 -0.10 1.44 1.01 -1.26 -0.96 121.20 124.87 2hlu s ILE 88 Ca -0.04 0.03 0.04 0.00 0.00 0.00 0.00 60.65 60.68 2hlu s ILE 88 Cb -0.07 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.80 2hlu s ILE 88 CO 0.00 0.25 -0.23 -0.69 0.00 0.00 0.00 174.94 174.28 2hlu s VAL 89 N -1.42 2.17 -0.70 2.92 1.01 -0.18 -4.91 120.40 119.29 2hlu s VAL 89 Ca 0.32 -0.99 0.11 0.00 0.00 0.00 0.00 61.98 61.42 2hlu s VAL 89 Cb -0.13 -1.83 0.58 0.00 0.00 0.00 0.00 36.38 35.00 2hlu s VAL 89 CO 0.20 0.56 1.40 -1.22 0.00 0.00 0.00 175.10 176.04 2hlu n TYR 90 N 3.47 1.39 0.00 5.22 4.01 -1.26 -4.30 117.16 125.69 2hlu n TYR 90 Ca -0.19 -0.50 0.00 0.00 -0.16 0.00 0.00 57.90 57.05 2hlu n TYR 90 Cb 0.53 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 2hlu n TYR 90 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83