#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 1.70 0.04 4.03 1.43 -0.57 -4.96 118.68 120.36 2hlu s LEU 2 Ca 0.00 -1.59 0.02 0.00 -1.03 0.00 0.00 54.13 51.53 2hlu s LEU 2 Cb 0.00 0.22 -0.02 0.00 0.03 0.00 0.00 46.19 46.42 2hlu s LEU 2 CO 0.00 -0.91 -0.07 -1.58 0.23 0.00 0.00 176.35 174.02 2hlu s GLN 3 N -3.77 0.50 0.19 1.70 0.74 -0.47 -1.46 119.66 117.10 2hlu s GLN 3 Ca 0.35 -0.76 -0.00 0.00 0.05 0.00 0.00 55.36 55.00 2hlu s GLN 3 Cb 0.04 -0.21 -0.04 0.00 1.10 0.00 0.00 33.01 33.90 2hlu s GLN 3 CO 0.18 0.03 0.09 1.52 -0.55 0.00 0.00 175.29 176.57 2hlu s TYR 4 N -1.50 1.14 -0.03 1.67 -0.85 0.02 -1.12 117.35 116.69 2hlu s TYR 4 Ca -0.10 -1.28 0.03 0.00 -0.52 0.00 0.00 57.07 55.20 2hlu s TYR 4 Cb -0.09 -0.60 -0.00 0.00 0.38 0.00 0.00 41.96 41.64 2hlu s TYR 4 CO -0.00 -0.52 -0.11 0.50 -1.52 0.00 0.00 175.55 173.90 2hlu s ARG 5 N -4.09 1.08 -0.02 -3.49 3.52 -0.11 -1.55 118.95 114.30 2hlu s ARG 5 Ca 0.33 -0.37 0.03 0.00 -0.13 0.00 0.00 55.73 55.59 2hlu s ARG 5 Cb 0.07 -1.00 0.00 0.00 -1.56 0.00 0.00 34.95 32.46 2hlu s ARG 5 CO 0.09 0.16 -0.09 0.42 -0.81 0.00 0.00 175.30 175.06 2hlu s ILE 6 N 0.08 0.80 -0.06 4.11 1.01 0.32 -0.38 121.20 127.08 2hlu s ILE 6 Ca -0.02 -0.38 0.03 0.00 0.00 0.00 0.00 60.65 60.27 2hlu s ILE 6 Cb -0.08 -0.71 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 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 0.10 3.22 -0.00 2.92 -1.09 -0.17 -0.72 121.20 125.45 2hlu s ILE 7 Ca -0.02 -0.66 0.02 0.00 -2.23 0.00 0.00 60.65 57.76 2hlu s ILE 7 Cb -0.08 -2.28 -0.00 0.00 -1.58 0.00 0.00 42.46 38.52 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 -0.67 0.45 0.03 2.92 1.01 -0.32 -1.05 120.40 122.77 2hlu s VAL 8 Ca 0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2hlu s VAL 8 Cb -0.11 -0.38 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 2hlu s VAL 8 CO 0.01 0.13 0.05 -0.62 0.00 0.00 0.00 175.10 174.67 2hlu s ASP 9 N -0.12 0.23 0.00 3.32 2.15 -0.16 -1.54 116.67 120.55 2hlu s ASP 9 Ca 0.02 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.43 2hlu s ASP 9 Cb -0.02 0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.79 2hlu s ASP 9 CO -0.00 -0.46 0.00 0.61 -0.17 0.00 0.00 175.17 175.14 2hlu n GLY 10 N 0.91 0.69 3.56 2.66 0.00 -1.26 -0.91 105.19 110.84 2hlu n GLY 10 Ca -0.20 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 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 2.20 0.00 1.61 0.63 -0.05 -4.53 116.66 116.51 2hlu n ARG 11 Ca 0.00 -2.76 0.00 0.00 -0.92 0.00 0.00 57.85 54.17 2hlu n ARG 11 Cb 0.00 -3.63 0.00 0.00 0.45 0.00 0.00 32.46 29.28 2hlu n ARG 11 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 2hlu n VAL 12 N 7.22 0.33 -4.17 5.15 0.24 -1.26 -0.69 118.33 125.15 2hlu n VAL 12 Ca 0.47 -0.38 -0.16 0.00 -2.04 0.00 0.00 64.34 62.23 2hlu n VAL 12 Cb 0.46 0.96 -0.11 0.00 -1.47 0.00 0.00 33.84 33.68 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 -0.33 0.83 -0.61 7.34 -0.21 -1.26 -4.56 119.66 120.86 2hlu s GLN 13 Ca 0.00 -1.07 0.00 0.00 0.02 0.00 0.00 55.36 54.31 2hlu s GLN 13 Cb 0.00 -0.64 0.00 0.00 1.00 0.00 0.00 33.01 33.37 2hlu s GLN 13 CO 0.00 0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.70 2hlu n GLY 14 N 0.85 0.82 0.43 3.09 0.00 -1.26 -4.90 105.19 104.22 2hlu n GLY 14 Ca -0.18 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.80 0.24 -1.08 1.61 0.24 -1.26 -5.01 118.33 110.27 2hlu n VAL 15 Ca -0.06 -0.28 -0.03 0.00 -2.04 0.00 0.00 64.34 61.93 2hlu n VAL 15 Cb 0.21 0.42 -0.01 0.00 -1.47 0.00 0.00 33.84 32.99 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 -0.18 0.44 0.36 7.63 0.00 -1.26 -4.57 105.19 107.61 2hlu n GLY 16 Ca 0.02 -0.09 -0.02 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 0.00 1.15 -0.33 1.61 3.57 -1.95 -1.56 116.94 119.42 2hlu h PHE 17 Ca -0.06 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 2hlu h PHE 17 Cb 0.67 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2hlu h PHE 17 CO 0.39 0.78 0.11 0.00 -2.23 0.00 0.00 178.31 177.35 2hlu h ARG 18 N 1.19 0.47 -0.35 1.11 3.08 -1.90 0.20 114.38 118.18 2hlu h ARG 18 Ca 0.31 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 60.13 2hlu h ARG 18 Cb -0.01 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 2hlu h ARG 18 CO -0.05 0.42 -0.44 1.88 -1.07 0.00 0.00 179.97 180.71 2hlu h TYR 19 N 0.47 1.09 -0.01 3.04 0.05 -1.71 -0.41 116.97 119.48 2hlu h TYR 19 Ca 0.11 -0.34 0.02 0.00 0.05 0.00 0.00 58.73 58.57 2hlu h TYR 19 Cb 0.14 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.64 2hlu h TYR 19 CO 0.00 1.16 -0.09 0.35 -1.05 0.00 0.00 178.16 178.54 2hlu h PHE 20 N 0.72 -0.23 -0.72 4.88 3.57 -0.68 -1.02 116.94 123.45 2hlu h PHE 20 Ca 0.05 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.60 2hlu h PHE 20 Cb 1.03 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.82 2hlu h PHE 20 CO 0.06 -0.14 0.44 0.28 -2.23 0.00 0.00 178.31 176.72 2hlu h VAL 21 N -0.15 1.05 -0.13 1.41 2.07 -0.96 -0.84 116.25 118.70 2hlu h VAL 21 Ca 0.04 -0.29 0.02 0.00 0.82 0.00 0.00 66.70 67.29 2hlu h VAL 21 Cb 0.20 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 2hlu h VAL 21 CO -0.10 0.15 0.01 -0.61 0.02 0.00 0.00 177.57 177.04 2hlu h GLN 22 N 0.84 0.05 -0.15 1.57 5.75 -0.46 -0.67 115.11 122.05 2hlu h GLN 22 Ca 0.30 -0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.62 2hlu h GLN 22 Cb 0.09 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.63 2hlu h GLN 22 CO -0.14 0.04 -0.65 0.52 -2.65 0.00 0.00 178.83 175.94 2hlu h MET 23 N 0.05 0.56 -0.02 1.69 2.86 -0.91 -1.20 114.93 117.97 2hlu h MET 23 Ca 0.06 -0.40 -0.10 0.00 -2.06 0.00 0.00 59.70 57.20 2hlu h MET 23 Cb 0.06 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2hlu h MET 23 CO -0.09 1.02 -0.44 0.93 1.06 0.00 0.00 176.91 179.39 2hlu h GLU 24 N 0.40 0.04 -0.16 1.72 4.39 -0.98 -0.45 114.58 119.54 2hlu h GLU 24 Ca -0.02 -0.02 -0.13 0.00 0.34 0.00 0.00 59.36 59.54 2hlu h GLU 24 Cb 1.22 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2hlu h GLU 24 CO 0.12 0.47 -0.41 0.00 -1.16 0.00 0.00 179.01 178.03 2hlu h ALA 25 N 1.53 0.26 -0.37 3.43 0.00 -0.93 -3.26 119.26 119.91 2hlu h ALA 25 Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 2hlu h ALA 25 Cb 0.79 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2hlu h ALA 25 CO 0.06 0.37 -0.01 0.22 0.00 0.00 0.00 179.25 179.89 2hlu h ASP 26 N 0.19 0.65 0.27 0.00 3.58 -0.89 -0.40 116.42 119.82 2hlu h ASP 26 Ca -0.01 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.13 2hlu h ASP 26 Cb 1.02 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2hlu h ASP 26 CO 0.09 0.80 0.00 0.07 -2.88 0.00 0.00 179.24 177.32 2hlu h LYS 27 N 0.48 0.00 -0.23 0.28 5.09 -1.22 -0.61 116.57 120.36 2hlu h LYS 27 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.84 2hlu h LYS 27 Cb 0.48 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.81 2hlu h LYS 27 CO 0.02 0.00 0.00 -2.13 -2.09 0.00 0.00 179.45 175.25 2hlu n ARG 28 N -2.47 1.90 -4.37 0.07 3.00 -0.82 -5.00 116.66 108.98 2hlu n ARG 28 Ca -0.01 -1.76 -0.36 0.00 -0.00 0.00 0.00 57.85 55.72 2hlu n ARG 28 Cb 0.11 -1.29 -0.09 0.00 0.00 0.00 0.00 32.46 31.19 2hlu n ARG 28 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2hlu n LYS 29 N 0.75 -0.82 -1.41 -0.14 4.76 -0.24 -4.98 118.16 116.08 2hlu n LYS 29 Ca 0.11 0.11 -0.30 0.00 -2.87 0.00 0.00 58.31 55.37 2hlu n LYS 29 Cb 0.40 -4.08 0.12 0.00 -1.84 0.00 0.00 35.03 29.63 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 -7.14 2.35 0.09 -0.35 1.43 -0.61 -4.99 118.68 109.45 2hlu s LEU 30 Ca 0.45 1.32 0.05 0.00 -1.03 0.00 0.00 54.13 54.92 2hlu s LEU 30 Cb -0.26 -3.80 -0.03 0.00 0.03 0.00 0.00 46.19 42.12 2hlu s LEU 30 CO 0.98 -2.34 -0.14 0.00 0.23 0.00 0.00 176.35 175.08 2hlu s ALA 31 N -3.08 1.27 0.00 4.21 0.00 -0.94 -3.58 121.76 119.65 2hlu s ALA 31 Ca 0.62 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2hlu s ALA 31 Cb -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 22.87 2hlu s ALA 31 CO 0.55 0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.87 2hlu n GLY 32 N 1.07 0.80 3.16 0.00 0.00 -0.71 -0.87 105.19 108.62 2hlu n GLY 32 Ca -0.20 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.03 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 0.88 -0.01 1.61 -2.14 0.09 -0.68 118.94 115.14 2hlu s TRP 33 Ca 0.00 -1.14 0.04 0.00 2.66 0.00 0.00 56.10 57.65 2hlu s TRP 33 Cb 0.00 -0.51 -0.01 0.00 -3.10 0.00 0.00 33.47 29.85 2hlu s TRP 33 CO 0.00 -0.41 -0.12 0.54 -2.66 0.00 0.00 176.95 174.31 2hlu s VAL 34 N -3.92 0.93 0.18 -0.66 0.11 -0.22 -1.06 120.40 115.76 2hlu s VAL 34 Ca 0.20 -0.52 -0.16 0.00 -2.93 0.00 0.00 61.98 58.57 2hlu s VAL 34 Cb 0.07 -0.78 0.03 0.00 -1.53 0.00 0.00 36.38 34.17 2hlu s VAL 34 CO -0.00 0.25 0.47 -1.59 -3.33 0.00 0.00 175.10 170.89 2hlu s LYS 35 N -0.31 1.29 0.22 1.54 -2.85 -0.12 -1.29 119.74 118.21 2hlu s LYS 35 Ca 0.04 -0.86 -0.31 0.00 -1.00 0.00 0.00 55.97 53.84 2hlu s LYS 35 Cb -0.05 0.49 -0.10 0.00 -2.06 0.00 0.00 37.83 36.12 2hlu s LYS 35 CO -0.00 -0.53 1.51 1.21 0.10 0.00 0.00 175.35 177.63 2hlu s ASN 36 N -2.87 6.60 0.23 0.03 2.47 -1.26 -0.88 114.94 119.26 2hlu s ASN 36 Ca 0.09 2.67 -0.15 0.00 0.42 0.00 0.00 52.86 55.89 2hlu s ASN 36 Cb 0.00 -2.61 -0.08 0.00 -1.45 0.00 0.00 41.25 37.11 2hlu s ASN 36 CO -0.05 -0.77 0.64 -0.60 -3.72 0.00 0.00 177.10 172.60 2hlu s ARG 37 N 0.25 4.02 0.48 0.43 3.52 0.07 -4.83 118.95 122.89 2hlu s ARG 37 Ca 0.64 0.59 0.19 0.00 -0.13 0.00 0.00 55.73 57.01 2hlu s ARG 37 Cb -0.43 -2.74 1.21 0.00 -1.56 0.00 0.00 34.95 31.43 2hlu s ARG 37 CO 0.39 0.35 2.01 0.22 -0.81 0.00 0.00 175.30 177.45 2hlu h ASP 38 N 3.00 0.17 0.38 -2.12 3.58 -1.96 0.76 116.42 120.22 2hlu h ASP 38 Ca -0.48 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.97 2hlu h ASP 38 Cb 1.18 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.20 2hlu h ASP 38 CO 0.66 0.10 -0.04 -0.78 -2.88 0.00 0.00 179.24 176.30 2hlu h ASP 39 N 0.19 0.00 0.00 2.28 3.58 -2.04 -3.46 116.42 116.97 2hlu h ASP 39 Ca 0.23 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.68 2hlu h ASP 39 Cb 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2hlu h ASP 39 CO -0.04 0.04 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2hlu n GLY 40 N -0.68 0.78 3.93 -0.78 0.00 0.26 -5.12 105.19 103.58 2hlu n GLY 40 Ca -0.02 0.00 -0.29 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 -0.47 1.12 -0.05 1.61 1.81 -1.24 -4.85 118.95 116.88 2hlu s ARG 41 Ca 0.00 -0.34 -0.04 0.00 -1.72 0.00 0.00 55.73 53.64 2hlu s ARG 41 Cb 0.00 -1.93 -0.04 0.00 -0.45 0.00 0.00 34.95 32.53 2hlu s ARG 41 CO 0.00 -2.08 0.13 0.08 -0.68 0.00 0.00 175.30 172.75 2hlu s VAL 42 N -3.72 5.20 -0.05 3.52 1.01 -0.59 -0.75 120.40 125.02 2hlu s VAL 42 Ca 0.70 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.63 2hlu s VAL 42 Cb -0.06 -3.34 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2hlu s VAL 42 CO 0.51 0.45 -0.21 -0.70 0.00 0.00 0.00 175.10 175.15 2hlu s GLU 43 N -1.49 2.10 -0.02 2.72 2.12 -0.06 -1.18 118.70 122.89 2hlu s GLU 43 Ca 0.21 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 54.83 2hlu s GLU 43 Cb -0.12 -1.83 -0.01 0.00 0.26 0.00 0.00 34.13 32.43 2hlu s GLU 43 CO 0.11 0.33 -0.17 0.42 -0.54 0.00 0.00 175.26 175.42 2hlu s ILE 44 N -0.13 1.34 -0.11 -3.70 1.01 0.10 -0.95 121.20 118.77 2hlu s ILE 44 Ca -0.02 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.89 2hlu s ILE 44 Cb -0.12 -1.13 0.06 0.00 0.01 0.00 0.00 42.46 41.27 2hlu s ILE 44 CO 0.02 0.38 0.17 -0.22 0.00 0.00 0.00 174.94 175.30 2hlu s LEU 45 N -0.22 -0.07 0.03 2.97 0.20 -0.22 -0.52 118.68 120.84 2hlu s LEU 45 Ca 0.02 0.21 -0.06 0.00 0.69 0.00 0.00 54.13 54.99 2hlu s LEU 45 Cb -0.08 0.28 -0.01 0.00 -0.43 0.00 0.00 46.19 45.95 2hlu s LEU 45 CO 0.00 -0.26 0.11 0.00 -0.29 0.00 0.00 176.35 175.91 2hlu s ALA 46 N 2.29 -0.16 0.04 5.97 0.00 -0.60 -0.73 121.76 128.57 2hlu s ALA 46 Ca 0.04 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 2hlu s ALA 46 Cb -0.13 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 2hlu s ALA 46 CO -0.07 -0.28 -0.02 -1.83 0.00 0.00 0.00 175.76 173.56 2hlu s GLU 47 N -2.14 0.47 0.00 0.00 -1.05 -0.05 -0.80 118.70 115.13 2hlu s GLU 47 Ca -0.09 -0.91 0.00 0.00 -0.15 0.00 0.00 54.97 53.82 2hlu s GLU 47 Cb -0.04 0.16 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 2hlu s GLU 47 CO -0.02 -0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.51 2hlu n GLY 48 N 0.84 -0.86 3.66 -3.83 0.00 -0.53 -2.21 105.19 102.26 2hlu n GLY 48 Ca -0.19 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 2hlu n GLY 48 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hlu n PRO 49 N 0.00 1.25 -0.07 1.61 -0.02 -1.26 -1.51 135.00 135.00 2hlu n PRO 49 Ca 0.00 0.47 -0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2hlu n PRO 49 Cb 0.00 -2.30 0.27 0.00 -0.02 0.00 0.00 33.50 31.45 2hlu n PRO 49 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2hlu h GLU 50 N 0.98 0.69 -0.27 -0.52 4.81 -1.94 -0.47 114.58 117.86 2hlu h GLU 50 Ca -0.49 -0.12 -0.16 0.00 -0.13 0.00 0.00 59.36 58.46 2hlu h GLU 50 Cb 1.34 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 2hlu h GLU 50 CO 0.54 0.61 -0.49 -2.95 -0.73 0.00 0.00 179.01 175.98 2hlu h ASN 51 N 0.67 0.80 -0.42 1.04 7.08 -1.99 -1.45 115.58 121.31 2hlu h ASN 51 Ca 0.16 -0.40 -0.04 0.00 -3.08 0.00 0.00 56.30 52.93 2hlu h ASN 51 Cb 0.21 -0.23 -0.02 0.00 -2.08 0.00 0.00 38.32 36.21 2hlu h ASN 51 CO -0.01 1.16 0.12 0.00 -2.08 0.00 0.00 177.43 176.61 2hlu h ALA 52 N 0.87 0.55 -0.61 4.14 0.00 -1.78 -1.77 119.26 120.67 2hlu h ALA 52 Ca 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2hlu h ALA 52 Cb 1.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2hlu h ALA 52 CO 0.10 0.22 0.32 -0.07 0.00 0.00 0.00 179.25 179.82 2hlu h LEU 53 N 0.54 0.77 -0.25 0.00 3.38 -1.06 -1.20 115.31 117.49 2hlu h LEU 53 Ca 0.13 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2hlu h LEU 53 Cb 0.29 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2hlu h LEU 53 CO -0.00 0.65 0.16 1.56 0.09 0.00 0.00 178.44 180.90 2hlu h GLN 54 N 0.83 0.33 -0.89 1.13 4.20 -0.98 0.31 115.11 120.04 2hlu h GLN 54 Ca 0.21 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.98 2hlu h GLN 54 Cb 0.06 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.71 2hlu h GLN 54 CO -0.03 0.23 0.57 0.77 -0.67 0.00 0.00 178.83 179.71 2hlu h SER 55 N 0.33 0.83 0.17 1.46 0.02 -1.14 -1.48 113.55 113.75 2hlu h SER 55 Ca 0.09 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.93 2hlu h SER 55 Cb -0.02 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 2hlu h SER 55 CO -0.02 0.51 -0.47 0.15 -1.14 0.00 0.00 176.83 175.87 2hlu h PHE 56 N 0.93 0.43 -0.43 3.45 3.57 -0.21 -0.89 116.94 123.79 2hlu h PHE 56 Ca 0.40 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 2hlu h PHE 56 Cb 0.32 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 2hlu h PHE 56 CO -0.00 0.76 0.16 0.28 -2.23 0.00 0.00 178.31 177.28 2hlu h VAL 57 N 0.29 1.21 -0.59 1.41 2.07 -0.15 0.74 116.25 121.22 2hlu h VAL 57 Ca 0.02 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 66.91 2hlu h VAL 57 Cb 0.93 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 2hlu h VAL 57 CO 0.08 0.24 0.39 -0.33 0.02 0.00 0.00 177.57 177.97 2hlu h GLU 58 N 0.56 0.72 0.22 1.57 5.08 -0.84 0.53 114.58 122.42 2hlu h GLU 58 Ca 0.14 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2hlu h GLU 58 Cb 0.21 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2hlu h GLU 58 CO -0.01 0.48 -0.11 0.00 -1.00 0.00 0.00 179.01 178.37 2hlu h ALA 59 N 1.65 -0.29 -0.64 3.43 0.00 -0.89 -3.34 119.26 119.16 2hlu h ALA 59 Ca 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2hlu h ALA 59 Cb -0.00 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2hlu h ALA 59 CO -0.06 -0.47 0.32 0.28 0.00 0.00 0.00 179.25 179.32 2hlu h VAL 60 N -0.68 1.22 0.00 0.00 2.07 -0.15 -2.61 116.25 116.10 2hlu h VAL 60 Ca -0.03 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.89 2hlu h VAL 60 Cb 0.47 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.67 2hlu h VAL 60 CO 0.05 0.25 0.00 0.07 0.02 0.00 0.00 177.57 177.96 2hlu h LYS 61 N 0.89 0.00 0.00 1.57 2.10 -1.06 -0.78 116.57 119.29 2hlu h LYS 61 Ca 0.22 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.80 2hlu h LYS 61 Cb 0.11 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 2hlu h LYS 61 CO -0.03 0.00 -0.37 -0.97 -2.00 0.00 0.00 179.45 176.08 2hlu h ASN 62 N 0.00 0.00 -2.73 7.07 -1.24 -1.58 -3.45 115.58 113.64 2hlu h ASN 62 Ca 0.00 0.00 0.06 0.00 0.71 0.00 0.00 56.30 57.07 2hlu h ASN 62 Cb 0.22 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 2hlu h ASN 62 CO 0.00 0.37 -0.08 0.61 -1.29 0.00 0.00 177.43 177.04 2hlu n GLY 63 N -0.15 -1.64 3.72 1.57 0.00 -0.30 -4.58 105.19 103.81 2hlu n GLY 63 Ca -0.01 -1.23 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 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 -4.23 3.69 0.61 1.61 1.04 -1.26 -4.87 113.70 110.30 2hlu s SER 64 Ca 0.00 1.84 0.27 0.00 0.48 0.00 0.00 55.95 58.54 2hlu s SER 64 Cb 0.00 -2.46 1.20 0.00 0.10 0.00 0.00 66.02 64.87 2hlu s SER 64 CO 0.00 -2.55 1.63 -0.65 0.98 0.00 0.00 173.24 172.64 2hlu h PRO 65 N -1.49 0.00 0.00 4.02 0.11 -1.91 -0.59 132.00 132.14 2hlu h PRO 65 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2hlu h PRO 65 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2hlu h PRO 65 CO 0.49 0.00 -1.15 1.19 -0.21 0.00 0.00 178.00 178.32 2hlu n PHE 66 N -3.38 0.61 -1.41 0.65 3.72 -1.26 -4.97 117.46 111.42 2hlu n PHE 66 Ca 0.13 0.18 -0.29 0.00 -0.05 0.00 0.00 57.45 57.41 2hlu n PHE 66 Cb 0.99 -0.74 0.16 0.00 -0.94 0.00 0.00 39.48 38.95 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 -4.81 2.90 -0.30 4.37 0.01 -0.23 -4.96 113.70 110.68 2hlu s SER 67 Ca -0.00 0.93 -0.03 0.00 1.31 0.00 0.00 55.95 58.15 2hlu s SER 67 Cb 0.12 -1.45 0.11 0.00 0.21 0.00 0.00 66.02 65.00 2hlu s SER 67 CO 0.81 -2.93 0.15 -0.75 0.41 0.00 0.00 173.24 170.93 2hlu s LYS 68 N -5.25 0.25 0.27 12.44 2.20 0.13 -4.85 119.74 124.93 2hlu s LYS 68 Ca 0.66 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 55.35 2hlu s LYS 68 Cb -0.14 -1.15 -0.11 0.00 -1.51 0.00 0.00 37.83 34.92 2hlu s LYS 68 CO 0.55 -1.05 1.50 0.08 -0.36 0.00 0.00 175.35 176.07 2hlu s VAL 69 N 1.97 2.41 0.00 4.02 1.01 -1.26 -0.87 120.40 127.68 2hlu s VAL 69 Ca 0.10 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2hlu s VAL 69 Cb -0.17 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2hlu s VAL 69 CO -0.32 0.06 0.00 0.35 0.00 0.00 0.00 175.10 175.19 2hlu n THR 70 N 2.16 0.00 -3.67 3.92 -2.24 -0.09 -4.94 114.28 109.43 2hlu n THR 70 Ca 0.07 -0.16 -0.15 0.00 -2.27 0.00 0.00 64.05 61.54 2hlu n THR 70 Cb 0.39 0.65 -0.08 0.00 -2.10 0.00 0.00 70.33 69.19 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 -1.48 -0.42 -0.07 3.42 2.15 -0.96 -4.98 116.67 114.33 2hlu s ASP 71 Ca 0.00 0.50 -0.12 0.00 0.43 0.00 0.00 52.55 53.37 2hlu s ASP 71 Cb 0.00 0.55 0.02 0.00 -0.30 0.00 0.00 42.92 43.19 2hlu s ASP 71 CO 0.00 -0.44 0.29 -0.51 -0.17 0.00 0.00 175.17 174.33 2hlu s ILE 72 N -0.93 0.03 0.03 4.11 2.07 -1.26 -0.99 121.20 124.25 2hlu s ILE 72 Ca -0.10 -0.24 -0.01 0.00 -1.41 0.00 0.00 60.65 58.89 2hlu s ILE 72 Cb -0.03 -0.49 -0.02 0.00 0.13 0.00 0.00 42.46 42.04 2hlu s ILE 72 CO 0.05 -0.13 -0.00 -0.44 -1.91 0.00 0.00 174.94 172.51 2hlu s SER 73 N -0.52 0.29 0.02 4.50 0.01 -0.22 -5.00 113.70 112.79 2hlu s SER 73 Ca -0.06 -0.63 0.01 0.00 1.31 0.00 0.00 55.95 56.58 2hlu s SER 73 Cb -0.04 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.33 2hlu s SER 73 CO 0.02 -0.42 -0.04 -0.69 0.41 0.00 0.00 173.24 172.53 2hlu s VAL 74 N -2.30 0.22 0.03 3.43 1.01 -1.26 -1.00 120.40 120.52 2hlu s VAL 74 Ca -0.08 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2hlu s VAL 74 Cb -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 36.03 2hlu s VAL 74 CO -0.04 -0.28 -0.09 -0.89 0.00 0.00 0.00 175.10 173.80 2hlu s THR 75 N -0.94 0.65 0.16 3.92 2.01 0.48 -4.99 115.64 116.93 2hlu s THR 75 Ca -0.09 -0.85 0.09 0.00 0.31 0.00 0.00 61.69 61.14 2hlu s THR 75 Cb -0.07 -0.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 2hlu s THR 75 CO -0.00 -0.17 -0.19 -1.83 -0.69 0.00 0.00 174.62 171.74 2hlu s GLU 76 N -1.12 1.27 0.27 4.92 -1.05 -1.26 -0.93 118.70 120.80 2hlu s GLU 76 Ca -0.04 -1.39 -0.21 0.00 -0.15 0.00 0.00 54.97 53.18 2hlu s GLU 76 Cb -0.08 -1.37 0.03 0.00 -0.44 0.00 0.00 34.13 32.27 2hlu s GLU 76 CO 0.01 0.28 0.75 -1.12 0.95 0.00 0.00 175.26 176.13 2hlu s SER 77 N -2.59 -0.24 -0.33 0.83 0.01 -0.28 -4.95 113.70 106.16 2hlu s SER 77 Ca 0.15 -0.61 0.17 0.00 1.31 0.00 0.00 55.95 56.97 2hlu s SER 77 Cb -0.06 0.71 0.44 0.00 0.21 0.00 0.00 66.02 67.32 2hlu s SER 77 CO 0.07 -1.31 0.93 -2.11 0.41 0.00 0.00 173.24 171.23 2hlu n ARG 78 N -0.47 1.12 -3.18 12.44 -4.01 -1.26 -1.37 116.66 119.94 2hlu n ARG 78 Ca -0.04 -3.21 -0.21 0.00 -1.04 0.00 0.00 57.85 53.34 2hlu n ARG 78 Cb 0.59 -1.26 -0.05 0.00 -3.04 0.00 0.00 32.46 28.70 2hlu n ARG 78 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 2hlu n SER 79 N -0.03 1.19 -4.69 2.89 7.64 -1.26 -5.01 113.62 114.34 2hlu n SER 79 Ca 0.11 -3.01 -0.43 0.00 1.01 0.00 0.00 58.87 56.54 2hlu n SER 79 Cb 0.80 -0.62 -0.02 0.00 -1.01 0.00 0.00 64.21 63.36 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 0.61 3.48 -0.02 -3.43 7.99 -1.26 -4.93 117.00 119.43 2hlu n LEU 80 Ca 0.25 1.16 0.05 0.00 -0.01 0.00 0.00 56.01 57.47 2hlu n LEU 80 Cb 0.58 -1.48 -0.15 0.00 -0.11 0.00 0.00 43.42 42.26 2hlu n LEU 80 CO 0.23 -0.37 -0.79 -1.84 -1.51 0.00 0.00 177.39 173.11 2hlu n GLU 81 N 1.60 0.66 -0.99 3.23 -0.00 -1.26 -5.02 120.64 118.86 2hlu n GLU 81 Ca 0.09 -0.11 0.00 0.00 -0.00 0.00 0.00 57.16 57.13 2hlu n GLU 81 Cb 0.34 -1.55 0.00 0.00 -0.00 0.00 0.00 31.44 30.23 2hlu n GLU 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2hlu n GLY 82 N 1.38 0.41 3.73 -1.84 0.00 -1.26 -5.03 105.19 102.59 2hlu n GLY 82 Ca -0.11 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.68 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 -2.00 2.11 -2.06 1.61 3.76 -1.26 -4.92 115.29 112.52 2hlu s HIS 83 Ca 0.00 1.50 0.18 0.00 -0.15 0.00 0.00 55.06 56.59 2hlu s HIS 83 Cb 0.00 -3.65 0.96 0.00 1.11 0.00 0.00 32.58 31.01 2hlu s HIS 83 CO 0.00 -2.80 1.63 -2.39 -0.85 0.00 0.00 174.74 170.33 2hlu n HIS 84 N -1.95 0.05 -3.88 1.40 1.44 -1.26 -4.75 115.22 106.27 2hlu n HIS 84 Ca 0.15 -0.03 -0.08 0.00 -2.01 0.00 0.00 57.72 55.76 2hlu n HIS 84 Cb 0.49 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.58 2hlu n HIS 84 CO 0.00 0.00 0.00 -0.98 -2.81 0.00 0.00 176.34 172.55 2hlu s ARG 85 N -1.95 1.81 0.36 -1.40 1.70 -1.26 -5.05 118.95 113.16 2hlu s ARG 85 Ca 0.27 -1.09 -0.07 0.00 -0.47 0.00 0.00 55.73 54.38 2hlu s ARG 85 Cb 0.13 0.59 -0.05 0.00 -0.57 0.00 0.00 34.95 35.05 2hlu s ARG 85 CO 0.21 -0.82 0.66 0.12 -1.08 0.00 0.00 175.30 174.39 2hlu s PHE 86 N -3.73 3.48 0.05 5.89 5.36 -1.23 -1.74 117.98 126.06 2hlu s PHE 86 Ca 0.13 0.80 0.03 0.00 -0.96 0.00 0.00 56.93 56.93 2hlu s PHE 86 Cb -0.05 -2.25 -0.03 0.00 -0.34 0.00 0.00 43.02 40.36 2hlu s PHE 86 CO 0.08 0.01 -0.09 -1.12 -1.46 0.00 0.00 175.22 172.64 2hlu s SER 87 N -3.31 1.00 -0.10 6.13 0.01 0.15 -4.87 113.70 112.70 2hlu s SER 87 Ca 0.47 -0.58 -0.12 0.00 1.31 0.00 0.00 55.95 57.04 2hlu s SER 87 Cb -0.10 0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.10 2hlu s SER 87 CO 0.32 -0.19 0.27 -0.63 0.41 0.00 0.00 173.24 173.42 2hlu s ILE 88 N -1.44 5.29 0.05 1.44 1.01 -1.26 -1.05 121.20 125.23 2hlu s ILE 88 Ca -0.08 0.50 0.04 0.00 0.00 0.00 0.00 60.65 61.12 2hlu s ILE 88 Cb -0.09 -3.57 -0.02 0.00 0.01 0.00 0.00 42.46 38.78 2hlu s ILE 88 CO 0.01 0.53 -0.12 -0.69 0.00 0.00 0.00 174.94 174.67 2hlu s VAL 89 N -0.53 0.91 0.00 2.92 1.01 -0.41 -4.93 120.40 119.37 2hlu s VAL 89 Ca 0.18 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.07 2hlu s VAL 89 Cb -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.36 2hlu s VAL 89 CO 0.07 -0.18 0.16 0.00 0.00 0.00 0.00 175.10 175.14 2hlu n TYR 90 N 1.60 0.00 0.00 5.22 0.18 -1.26 -4.21 117.16 118.69 2hlu n TYR 90 Ca -0.20 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.58 2hlu n TYR 90 Cb 0.55 0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.56 2hlu n TYR 90 CO 0.00 0.00 0.00 0.43 -2.08 0.00 0.00 176.86 175.21