#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 1.72 -0.03 4.03 0.20 0.02 -4.98 118.68 119.64 2hlu s LEU 2 Ca 0.00 -1.63 -0.13 0.00 0.69 0.00 0.00 54.13 53.06 2hlu s LEU 2 Cb 0.00 0.27 0.02 0.00 -0.43 0.00 0.00 46.19 46.05 2hlu s LEU 2 CO 0.00 -0.95 0.28 -1.58 -0.29 0.00 0.00 176.35 173.82 2hlu s GLN 3 N -3.71 0.58 0.21 1.98 0.74 -1.13 -1.52 119.66 116.82 2hlu s GLN 3 Ca 0.35 -0.09 -0.02 0.00 0.05 0.00 0.00 55.36 55.64 2hlu s GLN 3 Cb 0.04 0.26 -0.03 0.00 1.10 0.00 0.00 33.01 34.37 2hlu s GLN 3 CO 0.20 -0.14 0.19 1.52 -0.55 0.00 0.00 175.29 176.51 2hlu s TYR 4 N -1.03 1.07 -0.02 1.67 -0.85 -0.43 -1.48 117.35 116.29 2hlu s TYR 4 Ca -0.11 -1.29 0.04 0.00 -0.52 0.00 0.00 57.07 55.18 2hlu s TYR 4 Cb -0.05 -0.45 -0.01 0.00 0.38 0.00 0.00 41.96 41.83 2hlu s TYR 4 CO 0.03 -0.71 -0.12 0.50 -1.52 0.00 0.00 175.55 173.73 2hlu s ARG 5 N -4.09 1.07 -0.01 -3.49 3.52 -0.09 -1.50 118.95 114.35 2hlu s ARG 5 Ca 0.37 -0.43 0.03 0.00 -0.13 0.00 0.00 55.73 55.57 2hlu s ARG 5 Cb 0.06 -1.01 -0.01 0.00 -1.56 0.00 0.00 34.95 32.43 2hlu s ARG 5 CO 0.12 0.23 -0.10 0.42 -0.81 0.00 0.00 175.30 175.17 2hlu s ILE 6 N -0.16 0.78 -0.05 4.11 1.01 0.29 -0.29 121.20 126.89 2hlu s ILE 6 Ca 0.02 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.28 2hlu s ILE 6 Cb -0.06 -0.65 -0.00 0.00 0.01 0.00 0.00 42.46 41.75 2hlu s ILE 6 CO -0.00 0.21 -0.18 -0.63 0.00 0.00 0.00 174.94 174.34 2hlu s ILE 7 N -0.25 1.49 -0.03 2.92 -1.09 -0.12 -0.73 121.20 123.39 2hlu s ILE 7 Ca 0.04 -0.75 0.02 0.00 -2.23 0.00 0.00 60.65 57.72 2hlu s ILE 7 Cb -0.04 -1.28 0.01 0.00 -1.58 0.00 0.00 42.46 39.57 2hlu s ILE 7 CO -0.00 0.43 -0.07 -0.69 -1.23 0.00 0.00 174.94 173.38 2hlu s VAL 8 N 0.03 0.62 0.09 2.92 1.01 -0.25 -0.92 120.40 123.91 2hlu s VAL 8 Ca -0.04 -0.26 0.05 0.00 0.00 0.00 0.00 61.98 61.73 2hlu s VAL 8 Cb -0.12 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2hlu s VAL 8 CO 0.02 0.21 -0.04 -0.62 0.00 0.00 0.00 175.10 174.67 2hlu s ASP 9 N 0.32 4.78 0.00 3.32 2.15 0.21 -0.92 116.67 126.53 2hlu s ASP 9 Ca -0.04 -0.24 0.00 0.00 0.43 0.00 0.00 52.55 52.69 2hlu s ASP 9 Cb -0.09 -1.07 0.00 0.00 -0.30 0.00 0.00 42.92 41.47 2hlu s ASP 9 CO 0.00 0.18 0.00 0.61 -0.17 0.00 0.00 175.17 175.80 2hlu n GLY 10 N 0.69 -2.07 3.55 2.66 0.00 -1.26 -0.88 105.19 107.88 2hlu n GLY 10 Ca -0.12 -1.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.99 2.73 0.00 1.61 3.52 -0.23 -4.65 118.95 119.95 2hlu s ARG 11 Ca 0.00 0.41 0.00 0.00 -0.13 0.00 0.00 55.73 56.01 2hlu s ARG 11 Cb 0.00 -4.38 0.00 0.00 -1.56 0.00 0.00 34.95 29.01 2hlu s ARG 11 CO 0.00 -2.64 0.00 1.33 -0.81 0.00 0.00 175.30 173.18 2hlu n VAL 12 N 7.07 0.00 0.04 7.11 0.24 -1.26 -1.48 118.33 130.06 2hlu n VAL 12 Ca 0.18 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.40 2hlu n VAL 12 Cb 0.51 -0.05 -0.05 0.00 -1.47 0.00 0.00 33.84 32.78 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 -0.21 -0.07 7.34 7.50 -1.95 -1.02 115.11 126.71 2hlu h GLN 13 Ca 0.00 0.01 -0.10 0.00 0.50 0.00 0.00 58.65 59.06 2hlu h GLN 13 Cb 0.06 0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.62 2hlu h GLN 13 CO 0.00 0.11 -0.44 0.78 -1.50 0.00 0.00 178.83 177.78 2hlu h GLY 14 N -0.99 0.17 1.60 3.46 0.00 -1.97 -1.51 103.07 103.83 2hlu h GLY 14 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.15 2hlu h GLY 14 CO 0.04 0.15 0.00 3.33 0.00 0.00 0.00 176.54 180.05 2hlu n VAL 15 N -4.01 0.37 -2.45 4.60 0.24 -1.25 -4.92 118.33 110.91 2hlu n VAL 15 Ca -0.02 0.09 -0.06 0.00 -2.04 0.00 0.00 64.34 62.32 2hlu n VAL 15 Cb 0.49 -0.75 0.01 0.00 -1.47 0.00 0.00 33.84 32.11 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 0.49 0.39 0.39 7.63 0.00 -0.57 -4.94 105.19 108.57 2hlu n GLY 16 Ca 0.10 -0.56 0.16 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.35 0.53 -0.97 1.61 3.57 -1.38 -0.73 116.94 119.22 2hlu h PHE 17 Ca -0.13 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.59 2hlu h PHE 17 Cb 1.09 -0.16 -0.09 0.00 2.79 0.00 0.00 35.95 39.58 2hlu h PHE 17 CO 0.13 0.18 0.61 0.07 -2.23 0.00 0.00 178.31 177.08 2hlu h ARG 18 N 0.43 0.57 -0.21 1.11 0.11 -1.91 0.47 114.38 114.95 2hlu h ARG 18 Ca 0.41 -0.03 -0.19 0.00 0.10 0.00 0.00 59.98 60.26 2hlu h ARG 18 Cb 0.94 -0.13 0.01 0.00 1.11 0.00 0.00 29.97 31.90 2hlu h ARG 18 CO -0.14 0.37 -0.63 1.88 0.10 0.00 0.00 179.97 181.56 2hlu h TYR 19 N 0.58 1.03 -0.11 4.08 0.05 -1.51 -1.35 116.97 119.74 2hlu h TYR 19 Ca 0.53 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.90 2hlu h TYR 19 Cb 1.07 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.62 2hlu h TYR 19 CO -0.00 1.24 0.07 0.35 -1.05 0.00 0.00 178.16 178.76 2hlu h PHE 20 N 0.54 0.14 -0.18 4.88 3.57 -1.20 -0.44 116.94 124.25 2hlu h PHE 20 Ca -0.02 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2hlu h PHE 20 Cb 1.25 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.88 2hlu h PHE 20 CO 0.08 0.09 -0.21 0.28 -2.23 0.00 0.00 178.31 176.32 2hlu h VAL 21 N 0.14 0.46 -0.46 1.41 2.07 -0.95 -0.48 116.25 118.44 2hlu h VAL 21 Ca 0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.57 2hlu h VAL 21 Cb -0.01 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2hlu h VAL 21 CO -0.01 0.00 0.30 -0.61 0.02 0.00 0.00 177.57 177.27 2hlu h GLN 22 N -0.25 0.59 -0.03 1.57 4.15 -0.86 -0.37 115.11 119.92 2hlu h GLN 22 Ca 0.12 -0.04 -0.20 0.00 0.77 0.00 0.00 58.65 59.30 2hlu h GLN 22 Cb 0.42 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.97 2hlu h GLN 22 CO -0.32 0.39 -0.83 0.52 -1.93 0.00 0.00 178.83 176.65 2hlu h MET 23 N 0.61 0.35 0.00 1.69 2.86 -0.74 0.19 114.93 119.89 2hlu h MET 23 Ca 0.17 -0.33 -0.07 0.00 -2.06 0.00 0.00 59.70 57.41 2hlu h MET 23 Cb -0.05 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2hlu h MET 23 CO -0.05 1.00 -0.32 0.93 1.06 0.00 0.00 176.91 179.53 2hlu h GLU 24 N 0.21 0.00 -0.11 1.72 4.39 -0.97 -0.83 114.58 118.99 2hlu h GLU 24 Ca -0.05 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 2hlu h GLU 24 Cb 1.44 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.09 2hlu h GLU 24 CO 0.14 0.32 -0.14 0.00 -1.16 0.00 0.00 179.01 178.17 2hlu h ALA 25 N 1.68 0.16 -0.73 3.43 0.00 -0.77 -3.27 119.26 119.76 2hlu h ALA 25 Ca -0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2hlu h ALA 25 Cb 0.94 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2hlu h ALA 25 CO 0.04 0.04 0.27 0.22 0.00 0.00 0.00 179.25 179.83 2hlu h ASP 26 N -0.14 1.02 0.42 0.00 3.58 -0.74 -1.15 116.42 119.41 2hlu h ASP 26 Ca 0.01 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.29 2hlu h ASP 26 Cb 0.69 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 2hlu h ASP 26 CO 0.03 0.92 -0.05 0.07 -2.88 0.00 0.00 179.24 177.33 2hlu h LYS 27 N 1.07 0.00 -0.33 0.28 5.09 -1.26 0.15 116.57 121.57 2hlu h LYS 27 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.98 2hlu h LYS 27 Cb 0.23 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.56 2hlu h LYS 27 CO -0.02 0.05 0.00 0.54 -2.09 0.00 0.00 179.45 177.93 2hlu n ARG 28 N -3.32 2.37 -3.12 0.07 5.12 -0.61 -4.97 116.66 112.20 2hlu n ARG 28 Ca -0.02 -2.06 -0.19 0.00 -1.93 0.00 0.00 57.85 53.65 2hlu n ARG 28 Cb 0.20 -1.49 -0.01 0.00 -1.16 0.00 0.00 32.46 30.00 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 1.29 -3.03 -1.20 5.56 5.02 0.04 -4.98 118.16 120.85 2hlu n LYS 29 Ca 0.19 0.46 -0.30 0.00 -2.02 0.00 0.00 58.31 56.63 2hlu n LYS 29 Cb 0.56 -5.12 0.14 0.00 -0.02 0.00 0.00 35.03 30.59 2hlu n LYS 29 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2hlu s LEU 30 N -6.19 2.22 0.07 -0.35 1.43 -0.53 -4.99 118.68 110.34 2hlu s LEU 30 Ca 0.29 1.47 0.06 0.00 -1.03 0.00 0.00 54.13 54.91 2hlu s LEU 30 Cb -0.15 -3.87 -0.03 0.00 0.03 0.00 0.00 46.19 42.17 2hlu s LEU 30 CO 0.35 -2.67 -0.15 0.00 0.23 0.00 0.00 176.35 174.11 2hlu s ALA 31 N -2.94 1.28 0.00 4.21 0.00 -1.10 -4.46 121.76 118.75 2hlu s ALA 31 Ca 0.64 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2hlu s ALA 31 Cb -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 23.12 22.80 2hlu s ALA 31 CO 0.57 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.95 2hlu n GLY 32 N 1.38 -0.82 3.21 0.00 0.00 -0.80 -0.84 105.19 107.31 2hlu n GLY 32 Ca -0.20 -1.16 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.00 1.07 0.00 1.61 -2.14 0.04 -1.24 118.94 115.28 2hlu s TRP 33 Ca 0.00 -1.01 0.01 0.00 2.66 0.00 0.00 56.10 57.76 2hlu s TRP 33 Cb 0.00 -0.61 -0.01 0.00 -3.10 0.00 0.00 33.47 29.75 2hlu s TRP 33 CO 0.00 -0.23 -0.04 0.54 -2.66 0.00 0.00 176.95 174.56 2hlu s VAL 34 N -3.70 0.32 0.02 -0.66 0.11 -0.03 -1.19 120.40 115.27 2hlu s VAL 34 Ca 0.20 -0.32 -0.20 0.00 -2.93 0.00 0.00 61.98 58.73 2hlu s VAL 34 Cb 0.06 -0.30 0.04 0.00 -1.53 0.00 0.00 36.38 34.65 2hlu s VAL 34 CO 0.01 -0.01 0.45 -1.59 -3.33 0.00 0.00 175.10 170.63 2hlu s LYS 35 N -0.36 0.91 0.71 1.54 -2.85 -0.09 -1.23 119.74 118.38 2hlu s LYS 35 Ca -0.01 -0.21 -0.14 0.00 -1.00 0.00 0.00 55.97 54.62 2hlu s LYS 35 Cb -0.03 0.41 0.03 0.00 -2.06 0.00 0.00 37.83 36.18 2hlu s LYS 35 CO -0.00 -0.30 1.12 1.21 0.10 0.00 0.00 175.35 177.48 2hlu s ASN 36 N -1.73 4.70 0.07 0.03 2.47 -1.26 -0.60 114.94 118.63 2hlu s ASN 36 Ca -0.08 2.02 0.09 0.00 0.42 0.00 0.00 52.86 55.30 2hlu s ASN 36 Cb -0.02 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.20 2hlu s ASN 36 CO 0.01 -1.91 -0.23 -0.13 -3.72 0.00 0.00 177.10 171.12 2hlu s ARG 37 N -4.30 1.41 0.54 0.43 0.52 -0.03 -4.78 118.95 112.73 2hlu s ARG 37 Ca 0.66 -1.10 0.21 0.00 -0.52 0.00 0.00 55.73 54.98 2hlu s ARG 37 Cb -0.21 -1.65 1.44 0.00 0.52 0.00 0.00 34.95 35.06 2hlu s ARG 37 CO 0.47 0.41 2.16 0.22 0.02 0.00 0.00 175.30 178.57 2hlu h ASP 38 N 4.48 0.00 0.44 0.23 3.58 -1.98 -0.88 116.42 122.28 2hlu h ASP 38 Ca -0.46 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.99 2hlu h ASP 38 Cb 1.16 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.21 2hlu h ASP 38 CO 0.42 0.03 0.00 -0.78 -2.88 0.00 0.00 179.24 176.03 2hlu h ASP 39 N 0.00 0.00 0.00 2.28 3.58 -2.04 -3.45 116.42 116.78 2hlu h ASP 39 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2hlu h ASP 39 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 2hlu h ASP 39 CO 0.00 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 176.97 2hlu n GLY 40 N -0.56 0.59 3.78 -0.78 0.00 -0.33 -5.11 105.19 102.77 2hlu n GLY 40 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.76 0.90 0.11 1.61 1.81 -1.24 -4.70 118.95 116.68 2hlu s ARG 41 Ca 0.00 0.23 0.10 0.00 -1.72 0.00 0.00 55.73 54.34 2hlu s ARG 41 Cb 0.00 -1.82 -0.04 0.00 -0.45 0.00 0.00 34.95 32.65 2hlu s ARG 41 CO 0.00 -2.35 -0.24 0.08 -0.68 0.00 0.00 175.30 172.11 2hlu s VAL 42 N -3.28 2.41 0.00 3.52 1.01 -0.10 -0.85 120.40 123.12 2hlu s VAL 42 Ca 0.65 -1.61 0.07 0.00 0.00 0.00 0.00 61.98 61.09 2hlu s VAL 42 Cb -0.14 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 2hlu s VAL 42 CO 0.54 0.15 -0.22 -0.70 0.00 0.00 0.00 175.10 174.87 2hlu s GLU 43 N -1.93 1.65 0.02 2.72 2.12 0.23 -1.10 118.70 122.41 2hlu s GLU 43 Ca 0.15 -0.83 0.05 0.00 0.36 0.00 0.00 54.97 54.70 2hlu s GLU 43 Cb -0.10 -1.65 -0.02 0.00 0.26 0.00 0.00 34.13 32.62 2hlu s GLU 43 CO 0.06 0.44 -0.16 0.42 -0.54 0.00 0.00 175.26 175.49 2hlu s ILE 44 N -0.60 1.27 -0.04 -3.70 1.01 0.09 -0.92 121.20 118.32 2hlu s ILE 44 Ca 0.08 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 2hlu s ILE 44 Cb -0.08 -1.10 0.03 0.00 0.01 0.00 0.00 42.46 41.31 2hlu s ILE 44 CO 0.00 0.19 0.06 -0.22 0.00 0.00 0.00 174.94 174.98 2hlu s LEU 45 N -0.82 0.85 0.03 2.97 0.20 -0.34 -0.55 118.68 121.03 2hlu s LEU 45 Ca 0.05 0.12 -0.03 0.00 0.69 0.00 0.00 54.13 54.95 2hlu s LEU 45 Cb -0.07 0.04 -0.02 0.00 -0.43 0.00 0.00 46.19 45.71 2hlu s LEU 45 CO 0.01 -0.15 0.04 0.00 -0.29 0.00 0.00 176.35 175.95 2hlu s ALA 46 N 1.25 0.07 0.01 5.97 0.00 -0.56 -0.78 121.76 127.72 2hlu s ALA 46 Ca -0.07 -0.63 0.04 0.00 0.00 0.00 0.00 51.96 51.30 2hlu s ALA 46 Cb -0.13 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 2hlu s ALA 46 CO -0.04 -0.26 -0.12 -2.00 0.00 0.00 0.00 175.76 173.34 2hlu s GLU 47 N -2.31 0.93 0.00 0.00 2.12 -0.02 -1.31 118.70 118.10 2hlu s GLU 47 Ca -0.08 -0.56 0.00 0.00 0.36 0.00 0.00 54.97 54.70 2hlu s GLU 47 Cb -0.03 -0.91 0.00 0.00 0.26 0.00 0.00 34.13 33.45 2hlu s GLU 47 CO -0.04 0.24 0.00 0.41 -0.54 0.00 0.00 175.26 175.33 2hlu n GLY 48 N 2.41 -1.55 3.77 -1.50 0.00 -0.57 -2.71 105.19 105.04 2hlu n GLY 48 Ca -0.16 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.33 3.03 0.25 1.61 0.04 -1.26 -0.80 135.00 136.54 2hlu s PRO 49 Ca 0.00 1.55 -0.06 0.00 0.04 0.00 0.00 61.00 62.54 2hlu s PRO 49 Cb 0.00 -1.97 0.27 0.00 0.04 0.00 0.00 34.50 32.84 2hlu s PRO 49 CO 0.00 -1.10 1.91 1.49 0.04 0.00 0.00 177.00 179.34 2hlu h GLU 50 N 0.62 1.28 -0.52 4.56 4.81 -1.94 -1.20 114.58 122.19 2hlu h GLU 50 Ca -0.49 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 58.63 2hlu h GLU 50 Cb 1.26 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2hlu h GLU 50 CO 0.55 0.87 0.28 -0.97 -0.73 0.00 0.00 179.01 179.01 2hlu h ASN 51 N 1.31 0.66 -0.43 1.04 -0.73 -1.99 0.70 115.58 116.14 2hlu h ASN 51 Ca 0.35 -0.10 -0.05 0.00 1.87 0.00 0.00 56.30 58.36 2hlu h ASN 51 Cb -0.10 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.30 2hlu h ASN 51 CO -0.07 0.58 0.06 0.00 -0.37 0.00 0.00 177.43 177.63 2hlu h ALA 52 N 1.11 0.57 -0.26 1.57 0.00 -1.80 -1.39 119.26 119.07 2hlu h ALA 52 Ca 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2hlu h ALA 52 Cb 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2hlu h ALA 52 CO -0.03 0.30 0.13 -0.07 0.00 0.00 0.00 179.25 179.58 2hlu h LEU 53 N 0.57 0.34 -0.42 0.00 3.38 -0.94 0.18 115.31 118.42 2hlu h LEU 53 Ca 0.13 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2hlu h LEU 53 Cb 0.39 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2hlu h LEU 53 CO 0.01 0.35 0.17 1.56 0.09 0.00 0.00 178.44 180.62 2hlu h GLN 54 N 0.30 0.62 -0.79 1.13 1.08 -0.78 0.23 115.11 116.90 2hlu h GLN 54 Ca 0.09 -0.11 0.03 0.00 -1.45 0.00 0.00 58.65 57.21 2hlu h GLN 54 Cb 0.09 -0.10 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 2hlu h GLN 54 CO -0.01 0.57 0.52 0.77 -0.95 0.00 0.00 178.83 179.73 2hlu h SER 55 N 0.53 0.86 0.56 1.46 0.02 -1.12 -1.11 113.55 114.75 2hlu h SER 55 Ca 0.14 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.96 2hlu h SER 55 Cb 0.18 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 2hlu h SER 55 CO -0.01 0.60 -0.53 0.15 -1.14 0.00 0.00 176.83 175.90 2hlu h PHE 56 N 1.00 0.00 -0.48 3.45 3.57 -0.23 -1.08 116.94 123.18 2hlu h PHE 56 Ca 0.31 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 2hlu h PHE 56 Cb -0.01 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2hlu h PHE 56 CO -0.00 0.53 0.21 0.28 -2.23 0.00 0.00 178.31 177.09 2hlu h VAL 57 N 0.00 1.20 -0.49 1.41 2.07 0.21 0.97 116.25 121.62 2hlu h VAL 57 Ca -0.01 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 2hlu h VAL 57 Cb 0.95 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2hlu h VAL 57 CO 0.07 0.23 0.30 -0.33 0.02 0.00 0.00 177.57 177.86 2hlu h GLU 58 N 0.63 0.65 0.29 1.57 5.08 -0.64 0.13 114.58 122.29 2hlu h GLU 58 Ca 0.16 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2hlu h GLU 58 Cb 0.17 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2hlu h GLU 58 CO -0.02 0.46 -0.14 0.00 -1.00 0.00 0.00 179.01 178.31 2hlu h ALA 59 N 1.66 -0.39 -0.69 3.43 0.00 -0.97 -3.35 119.26 118.96 2hlu h ALA 59 Ca 0.18 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2hlu h ALA 59 Cb -0.03 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 2hlu h ALA 59 CO -0.03 -0.54 0.43 0.28 0.00 0.00 0.00 179.25 179.39 2hlu h VAL 60 N -0.75 1.19 0.00 0.00 2.07 -0.09 -2.64 116.25 116.02 2hlu h VAL 60 Ca -0.04 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2hlu h VAL 60 Cb 0.50 0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2hlu h VAL 60 CO 0.07 0.19 0.00 0.07 0.02 0.00 0.00 177.57 177.92 2hlu h LYS 61 N 0.93 0.00 0.00 1.57 2.10 -0.92 -0.63 116.57 119.63 2hlu h LYS 61 Ca 0.25 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.82 2hlu h LYS 61 Cb -0.06 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.26 2hlu h LYS 61 CO -0.05 0.00 -0.37 -0.97 -2.00 0.00 0.00 179.45 176.06 2hlu h ASN 62 N 0.00 0.00 -3.04 7.07 -1.24 -1.59 -3.47 115.58 113.31 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 0.37 -0.11 0.61 -1.29 0.00 0.00 177.43 177.01 2hlu n GLY 63 N -0.03 -1.78 3.71 1.57 0.00 -0.25 -4.62 105.19 103.80 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 -4.22 3.76 0.46 1.61 0.01 -1.26 -4.86 113.70 109.19 2hlu s SER 64 Ca 0.00 2.15 0.27 0.00 1.31 0.00 0.00 55.95 59.69 2hlu s SER 64 Cb 0.00 -2.56 1.33 0.00 0.21 0.00 0.00 66.02 64.99 2hlu s SER 64 CO 0.00 -2.54 1.75 -0.65 0.41 0.00 0.00 173.24 172.21 2hlu h PRO 65 N -1.13 0.19 0.00 12.44 0.11 -1.99 -0.29 132.00 141.33 2hlu h PRO 65 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2hlu h PRO 65 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2hlu h PRO 65 CO 0.47 0.13 -0.04 0.74 -0.21 0.00 0.00 178.00 179.08 2hlu h PHE 66 N 0.20 0.00 -3.83 0.65 0.04 -1.94 -3.47 116.94 108.60 2hlu h PHE 66 Ca 0.64 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 60.97 2hlu h PHE 66 Cb 2.02 0.00 0.16 0.00 2.20 0.00 0.00 35.95 40.33 2hlu h PHE 66 CO -0.00 0.00 0.20 -1.12 -0.60 0.00 0.00 178.31 176.79 2hlu s SER 67 N -6.07 2.23 -0.32 2.17 0.01 -0.12 -4.99 113.70 106.60 2hlu s SER 67 Ca 0.07 0.91 -0.02 0.00 1.31 0.00 0.00 55.95 58.22 2hlu s SER 67 Cb 0.06 -1.40 0.12 0.00 0.21 0.00 0.00 66.02 65.01 2hlu s SER 67 CO 0.67 -3.34 0.16 -0.75 0.41 0.00 0.00 173.24 170.39 2hlu s LYS 68 N -5.21 0.39 0.28 12.44 2.20 -0.55 -4.88 119.74 124.41 2hlu s LYS 68 Ca 0.67 -0.92 -0.30 0.00 -0.36 0.00 0.00 55.97 55.06 2hlu s LYS 68 Cb -0.14 -1.28 -0.11 0.00 -1.51 0.00 0.00 37.83 34.79 2hlu s LYS 68 CO 0.56 -1.10 1.52 0.08 -0.36 0.00 0.00 175.35 176.05 2hlu s VAL 69 N 1.61 2.31 -0.02 4.02 1.01 -1.26 -1.07 120.40 127.00 2hlu s VAL 69 Ca 0.13 0.26 0.04 0.00 0.00 0.00 0.00 61.98 62.41 2hlu s VAL 69 Cb -0.19 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.96 2hlu s VAL 69 CO -0.20 0.04 0.07 0.35 0.00 0.00 0.00 175.10 175.36 2hlu n THR 70 N 2.12 0.11 -3.53 3.92 -2.24 -0.06 -4.92 114.28 109.68 2hlu n THR 70 Ca 0.07 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.55 2hlu n THR 70 Cb 0.39 -0.09 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.89 -0.61 -0.03 3.42 2.15 -1.17 -5.00 116.67 112.55 2hlu s ASP 71 Ca -0.02 0.60 -0.05 0.00 0.43 0.00 0.00 52.55 53.51 2hlu s ASP 71 Cb 0.02 0.53 0.01 0.00 -0.30 0.00 0.00 42.92 43.17 2hlu s ASP 71 CO 0.18 -0.63 0.13 -0.51 -0.17 0.00 0.00 175.17 174.17 2hlu s ILE 72 N -1.44 0.04 0.06 4.11 2.07 -1.26 -0.62 121.20 124.16 2hlu s ILE 72 Ca -0.10 -0.30 -0.03 0.00 -1.41 0.00 0.00 60.65 58.80 2hlu s ILE 72 Cb -0.00 -0.28 -0.03 0.00 0.13 0.00 0.00 42.46 42.27 2hlu s ILE 72 CO 0.07 -0.17 0.04 -0.44 -1.91 0.00 0.00 174.94 172.54 2hlu s SER 73 N -0.53 0.37 0.02 4.50 0.01 -0.09 -5.00 113.70 112.97 2hlu s SER 73 Ca -0.06 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.32 2hlu s SER 73 Cb -0.04 0.24 -0.02 0.00 0.21 0.00 0.00 66.02 66.42 2hlu s SER 73 CO 0.01 -0.63 -0.03 -0.69 0.41 0.00 0.00 173.24 172.30 2hlu s VAL 74 N -3.85 0.18 0.04 3.43 1.01 -1.26 -0.95 120.40 119.00 2hlu s VAL 74 Ca 0.06 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.34 2hlu s VAL 74 Cb 0.07 -0.28 -0.02 0.00 0.00 0.00 0.00 36.38 36.14 2hlu s VAL 74 CO -0.10 -0.37 -0.17 -0.89 0.00 0.00 0.00 175.10 173.57 2hlu s THR 75 N -1.14 1.35 -0.01 3.92 2.01 0.60 -4.99 115.64 117.37 2hlu s THR 75 Ca -0.11 -1.06 0.05 0.00 0.31 0.00 0.00 61.69 60.87 2hlu s THR 75 Cb -0.08 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 2hlu s THR 75 CO -0.01 0.11 -0.17 -1.61 -0.69 0.00 0.00 174.62 172.26 2hlu s GLU 76 N -1.11 1.36 0.19 4.92 2.02 -1.26 -0.92 118.70 123.90 2hlu s GLU 76 Ca 0.04 -0.59 -0.12 0.00 0.02 0.00 0.00 54.97 54.32 2hlu s GLU 76 Cb -0.08 -1.31 0.00 0.00 0.10 0.00 0.00 34.13 32.84 2hlu s GLU 76 CO 0.01 0.35 0.39 -1.12 0.02 0.00 0.00 175.26 174.92 2hlu s SER 77 N -0.36 -0.08 -0.02 -0.19 0.01 -0.55 -4.99 113.70 107.52 2hlu s SER 77 Ca 0.06 -0.75 0.14 0.00 1.31 0.00 0.00 55.95 56.70 2hlu s SER 77 Cb -0.07 0.51 0.25 0.00 0.21 0.00 0.00 66.02 66.92 2hlu s SER 77 CO -0.00 -0.99 1.10 0.54 0.41 0.00 0.00 173.24 174.30 2hlu n ARG 78 N -0.28 0.21 -1.62 12.44 1.74 -1.26 -2.82 116.66 125.06 2hlu n ARG 78 Ca -0.07 -1.73 -0.36 0.00 -0.77 0.00 0.00 57.85 54.92 2hlu n ARG 78 Cb 0.63 -0.43 -0.03 0.00 -1.02 0.00 0.00 32.46 31.60 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 0.04 7.88 -4.61 0.55 7.64 -1.26 -4.98 113.62 118.88 2hlu n SER 79 Ca 0.05 -2.90 -0.43 0.00 1.01 0.00 0.00 58.87 56.60 2hlu n SER 79 Cb 0.90 -1.42 -0.01 0.00 -1.01 0.00 0.00 64.21 62.67 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 2.32 2.29 0.04 -3.43 4.77 -1.26 -4.92 117.00 116.81 2hlu n LEU 80 Ca 0.65 1.16 -0.09 0.00 -0.03 0.00 0.00 56.01 57.70 2hlu n LEU 80 Cb 0.33 -1.34 0.06 0.00 -2.33 0.00 0.00 43.42 40.14 2hlu n LEU 80 CO 0.65 -1.23 0.42 -0.33 -1.33 0.00 0.00 177.39 175.57 2hlu h GLU 81 N 2.02 0.43 -0.56 3.23 4.39 -1.97 -3.47 114.58 118.64 2hlu h GLU 81 Ca -0.42 -0.31 -0.24 0.00 0.34 0.00 0.00 59.36 58.73 2hlu h GLU 81 Cb 1.33 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 29.93 2hlu h GLU 81 CO 0.60 0.92 -0.22 0.41 -1.16 0.00 0.00 179.01 179.57 2hlu n GLY 82 N 0.38 1.15 3.85 -3.84 0.00 -1.26 -4.99 105.19 100.48 2hlu n GLY 82 Ca -0.04 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.06 2.78 -0.00 1.61 3.76 -1.26 -5.03 115.29 115.09 2hlu s HIS 83 Ca 0.00 0.82 0.00 0.00 -0.15 0.00 0.00 55.06 55.73 2hlu s HIS 83 Cb 0.00 -3.42 0.00 0.00 1.11 0.00 0.00 32.58 30.27 2hlu s HIS 83 CO 0.00 -2.01 0.79 -2.39 -0.85 0.00 0.00 174.74 170.28 2hlu n HIS 84 N -3.50 0.00 -4.07 1.40 1.44 -1.26 -4.80 115.22 104.42 2hlu n HIS 84 Ca 0.07 -0.28 -0.11 0.00 -2.01 0.00 0.00 57.72 55.39 2hlu n HIS 84 Cb 0.60 -0.03 -0.07 0.00 0.12 0.00 0.00 29.99 30.61 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 -0.58 1.47 0.05 -1.40 1.70 -1.26 -4.91 118.95 114.02 2hlu s ARG 85 Ca 0.00 -1.42 0.09 0.00 -0.47 0.00 0.00 55.73 53.93 2hlu s ARG 85 Cb 0.00 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.76 2hlu s ARG 85 CO 0.00 -0.58 -0.24 0.12 -1.08 0.00 0.00 175.30 173.52 2hlu s PHE 86 N -3.98 2.10 0.11 5.89 2.19 -1.26 -1.91 117.98 121.12 2hlu s PHE 86 Ca 0.28 -0.40 0.06 0.00 0.33 0.00 0.00 56.93 57.21 2hlu s PHE 86 Cb 0.02 -1.24 -0.04 0.00 -1.31 0.00 0.00 43.02 40.45 2hlu s PHE 86 CO 0.11 0.13 -0.14 -1.12 1.83 0.00 0.00 175.22 176.03 2hlu s SER 87 N -1.28 1.92 -0.10 6.13 0.01 -0.37 -4.93 113.70 115.08 2hlu s SER 87 Ca 0.10 -0.76 0.02 0.00 1.31 0.00 0.00 55.95 56.62 2hlu s SER 87 Cb -0.10 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.06 2hlu s SER 87 CO 0.02 -0.13 -0.16 -0.63 0.41 0.00 0.00 173.24 172.75 2hlu s ILE 88 N -1.92 2.81 0.02 1.44 1.01 -1.26 -0.85 121.20 122.46 2hlu s ILE 88 Ca 0.06 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.97 2hlu s ILE 88 Cb -0.06 -2.13 -0.02 0.00 0.01 0.00 0.00 42.46 40.26 2hlu s ILE 88 CO 0.03 0.55 -0.11 -0.69 0.00 0.00 0.00 174.94 174.72 2hlu s VAL 89 N 0.00 0.83 0.00 2.92 1.01 -0.36 -4.95 120.40 119.85 2hlu s VAL 89 Ca -0.05 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2hlu s VAL 89 Cb -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 36.38 35.48 2hlu s VAL 89 CO 0.04 0.03 0.14 0.00 0.00 0.00 0.00 175.10 175.31 2hlu n TYR 90 N 2.26 0.00 -1.11 5.22 0.18 -1.26 -4.00 117.16 118.44 2hlu n TYR 90 Ca -0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.61 2hlu n TYR 90 Cb 0.56 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