#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 -3.81 4.03 4.77 -0.04 -4.81 117.00 117.14 2hlu n LEU 2 Ca 0.00 -2.86 -0.12 0.00 -0.03 0.00 0.00 56.01 53.00 2hlu n LEU 2 Cb 0.00 2.45 -0.09 0.00 -2.33 0.00 0.00 43.42 43.45 2hlu n LEU 2 CO 0.00 -0.64 -0.07 -1.58 -1.33 0.00 0.00 177.39 173.77 2hlu s GLN 3 N -2.84 0.60 0.21 3.23 0.74 -1.21 -1.51 119.66 118.88 2hlu s GLN 3 Ca 0.30 -0.33 -0.09 0.00 0.05 0.00 0.00 55.36 55.28 2hlu s GLN 3 Cb -0.01 0.26 -0.01 0.00 1.10 0.00 0.00 33.01 34.35 2hlu s GLN 3 CO 0.21 -0.16 0.34 1.52 -0.55 0.00 0.00 175.29 176.65 2hlu s TYR 4 N -1.51 0.54 -0.01 1.67 -0.85 -0.18 -0.88 117.35 116.12 2hlu s TYR 4 Ca -0.13 -0.87 0.05 0.00 -0.52 0.00 0.00 57.07 55.60 2hlu s TYR 4 Cb -0.06 -0.05 -0.01 0.00 0.38 0.00 0.00 41.96 42.22 2hlu s TYR 4 CO 0.02 -0.82 -0.15 0.50 -1.52 0.00 0.00 175.55 173.58 2hlu s ARG 5 N -4.03 1.18 0.03 -3.49 3.52 0.06 -1.70 118.95 114.52 2hlu s ARG 5 Ca 0.24 -0.55 0.03 0.00 -0.13 0.00 0.00 55.73 55.32 2hlu s ARG 5 Cb 0.02 -1.15 -0.02 0.00 -1.56 0.00 0.00 34.95 32.25 2hlu s ARG 5 CO 0.06 0.31 -0.09 0.42 -0.81 0.00 0.00 175.30 175.20 2hlu s ILE 6 N -0.38 0.69 -0.01 4.11 1.01 0.31 -0.91 121.20 126.01 2hlu s ILE 6 Ca 0.05 -0.77 0.05 0.00 0.00 0.00 0.00 60.65 59.99 2hlu s ILE 6 Cb -0.06 -0.66 -0.01 0.00 0.01 0.00 0.00 42.46 41.74 2hlu s ILE 6 CO -0.00 -0.09 -0.18 -0.63 0.00 0.00 0.00 174.94 174.04 2hlu s ILE 7 N -0.80 1.40 0.02 2.92 -1.09 -0.23 -0.78 121.20 122.66 2hlu s ILE 7 Ca -0.02 -0.77 0.02 0.00 -2.23 0.00 0.00 60.65 57.65 2hlu s ILE 7 Cb -0.07 -1.17 -0.02 0.00 -1.58 0.00 0.00 42.46 39.63 2hlu s ILE 7 CO 0.00 0.39 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.35 2hlu s VAL 8 N -0.43 0.46 0.02 2.92 1.01 0.08 -0.84 120.40 123.62 2hlu s VAL 8 Ca 0.07 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 2hlu s VAL 8 Cb -0.07 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 2hlu s VAL 8 CO -0.01 -0.18 0.03 -0.62 0.00 0.00 0.00 175.10 174.33 2hlu s ASP 9 N -0.95 0.18 0.00 3.32 2.15 -0.18 -1.16 116.67 120.03 2hlu s ASP 9 Ca -0.05 -0.44 0.00 0.00 0.43 0.00 0.00 52.55 52.49 2hlu s ASP 9 Cb -0.07 0.15 0.00 0.00 -0.30 0.00 0.00 42.92 42.70 2hlu s ASP 9 CO 0.00 -0.35 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 2hlu n GLY 10 N 1.41 0.94 3.56 2.66 0.00 -1.26 -0.67 105.19 111.83 2hlu n GLY 10 Ca -0.23 -1.86 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 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 -1.95 3.49 -0.06 1.61 6.06 -0.07 -4.63 118.95 123.40 2hlu s ARG 11 Ca 0.00 -1.19 0.08 0.00 -2.50 0.00 0.00 55.73 52.12 2hlu s ARG 11 Cb 0.00 -5.35 0.12 0.00 0.06 0.00 0.00 34.95 29.78 2hlu s ARG 11 CO 0.00 -2.44 1.01 1.33 -2.50 0.00 0.00 175.30 172.70 2hlu n VAL 12 N 6.96 0.93 -4.11 7.11 0.24 -1.26 -1.35 118.33 126.85 2hlu n VAL 12 Ca 0.38 -1.09 -0.09 0.00 -2.04 0.00 0.00 64.34 61.49 2hlu n VAL 12 Cb 0.49 0.24 -0.10 0.00 -1.47 0.00 0.00 33.84 33.00 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 -1.35 0.65 -1.55 7.34 1.11 -1.26 -4.56 119.66 120.04 2hlu s GLN 13 Ca 0.14 -1.16 0.00 0.00 0.01 0.00 0.00 55.36 54.35 2hlu s GLN 13 Cb 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 33.01 32.12 2hlu s GLN 13 CO 0.01 -0.06 0.00 0.41 0.01 0.00 0.00 175.29 175.67 2hlu n GLY 14 N 0.33 0.17 0.00 3.09 0.00 -1.26 -4.83 105.19 102.68 2hlu n GLY 14 Ca -0.15 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.64 0.00 -1.13 1.61 0.24 -1.26 -5.03 118.33 109.12 2hlu n VAL 15 Ca -0.20 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.06 2hlu n VAL 15 Cb 0.63 1.18 -0.02 0.00 -1.47 0.00 0.00 33.84 34.17 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 0.00 0.70 0.36 7.63 0.00 -1.26 -4.74 105.19 107.87 2hlu n GLY 16 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.62 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 0.98 -0.15 1.61 3.57 -1.95 -1.12 116.94 119.89 2hlu h PHE 17 Ca -0.09 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.39 2hlu h PHE 17 Cb 0.43 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 2hlu h PHE 17 CO 0.22 0.59 -0.10 0.00 -2.23 0.00 0.00 178.31 176.79 2hlu h ARG 18 N 1.03 0.23 -0.18 1.11 3.08 -1.92 0.35 114.38 118.09 2hlu h ARG 18 Ca 0.31 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 60.12 2hlu h ARG 18 Cb -0.03 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2hlu h ARG 18 CO -0.08 0.34 -0.66 1.88 -1.07 0.00 0.00 179.97 180.38 2hlu h TYR 19 N 0.22 0.90 -0.09 3.04 0.05 -1.64 -0.57 116.97 118.89 2hlu h TYR 19 Ca 0.05 -0.36 0.03 0.00 0.05 0.00 0.00 58.73 58.50 2hlu h TYR 19 Cb 0.32 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.87 2hlu h TYR 19 CO 0.00 1.15 -0.11 0.35 -1.05 0.00 0.00 178.16 178.51 2hlu h PHE 20 N 0.50 -0.27 -0.67 4.88 3.57 -0.56 -1.12 116.94 123.27 2hlu h PHE 20 Ca -0.02 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2hlu h PHE 20 Cb 1.25 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 40.09 2hlu h PHE 20 CO 0.07 -0.16 0.44 0.28 -2.23 0.00 0.00 178.31 176.70 2hlu h VAL 21 N -0.14 1.16 -0.27 1.41 2.07 -0.96 -0.38 116.25 119.13 2hlu h VAL 21 Ca 0.07 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 67.33 2hlu h VAL 21 Cb 0.24 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 2hlu h VAL 21 CO -0.18 0.16 0.03 -0.61 0.02 0.00 0.00 177.57 176.99 2hlu h GLN 22 N 0.90 0.12 -0.09 1.57 5.75 -0.50 -0.10 115.11 122.74 2hlu h GLN 22 Ca 0.25 -0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 58.58 2hlu h GLN 22 Cb -0.08 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 2hlu h GLN 22 CO -0.06 0.08 -0.64 0.52 -2.65 0.00 0.00 178.83 176.07 2hlu h MET 23 N 0.12 0.36 0.00 1.69 2.86 -0.95 -1.42 114.93 117.59 2hlu h MET 23 Ca 0.13 -0.26 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 2hlu h MET 23 Cb 0.15 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 2hlu h MET 23 CO -0.19 0.88 -0.24 0.93 1.06 0.00 0.00 176.91 179.35 2hlu h GLU 24 N 0.26 0.00 0.01 1.72 4.39 -0.65 0.23 114.58 120.55 2hlu h GLU 24 Ca -0.01 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 2hlu h GLU 24 Cb 1.18 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.84 2hlu h GLU 24 CO 0.11 0.24 -0.50 0.00 -1.16 0.00 0.00 179.01 177.70 2hlu h ALA 25 N 1.76 0.04 -0.63 3.43 0.00 -0.81 -3.36 119.26 119.69 2hlu h ALA 25 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 2hlu h ALA 25 Cb 0.73 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2hlu h ALA 25 CO 0.03 0.26 0.31 0.22 0.00 0.00 0.00 179.25 180.07 2hlu h ASP 26 N -0.28 0.79 0.14 0.00 3.58 -0.94 -1.37 116.42 118.34 2hlu h ASP 26 Ca -0.07 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2hlu h ASP 26 Cb 1.25 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 42.10 2hlu h ASP 26 CO 0.10 0.67 0.00 2.29 -2.88 0.00 0.00 179.24 179.42 2hlu n LYS 27 N -4.36 0.33 0.00 0.28 -0.00 0.04 -0.83 118.16 113.62 2hlu n LYS 27 Ca 0.06 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 2hlu n LYS 27 Cb 0.12 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.65 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 -1.15 1.46 -4.25 -1.58 1.74 -0.66 -5.01 116.66 107.20 2hlu n ARG 28 Ca 0.09 -1.08 -0.37 0.00 -0.77 0.00 0.00 57.85 55.72 2hlu n ARG 28 Cb 0.08 -0.96 -0.04 0.00 -1.02 0.00 0.00 32.46 30.53 2hlu n ARG 28 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2hlu n LYS 29 N -0.30 -2.52 -1.10 5.56 4.76 -0.01 -4.97 118.16 119.58 2hlu n LYS 29 Ca 0.00 0.31 -0.30 0.00 -2.87 0.00 0.00 58.31 55.45 2hlu n LYS 29 Cb 0.18 -5.00 0.15 0.00 -1.84 0.00 0.00 35.03 28.52 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 -7.20 2.16 0.06 -0.35 1.43 -0.61 -4.99 118.68 109.18 2hlu s LEU 30 Ca 0.75 1.54 0.05 0.00 -1.03 0.00 0.00 54.13 55.44 2hlu s LEU 30 Cb -0.42 -3.90 -0.03 0.00 0.03 0.00 0.00 46.19 41.87 2hlu s LEU 30 CO 0.92 -2.83 -0.14 0.00 0.23 0.00 0.00 176.35 174.54 2hlu s ALA 31 N -2.87 1.13 0.00 4.21 0.00 -0.98 -3.62 121.76 119.64 2hlu s ALA 31 Ca 0.64 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2hlu s ALA 31 Cb -0.19 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.83 2hlu s ALA 31 CO 0.58 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.91 2hlu n GLY 32 N 1.42 0.80 3.19 0.00 0.00 -0.57 -0.65 105.19 109.38 2hlu n GLY 32 Ca -0.21 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.01 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 -3.55 0.85 0.03 1.61 -2.14 0.20 -1.02 118.94 114.92 2hlu s TRP 33 Ca 0.00 -1.20 0.06 0.00 2.66 0.00 0.00 56.10 57.62 2hlu s TRP 33 Cb 0.00 -0.43 -0.02 0.00 -3.10 0.00 0.00 33.47 29.92 2hlu s TRP 33 CO 0.00 -0.57 -0.17 0.54 -2.66 0.00 0.00 176.95 174.09 2hlu s VAL 34 N -4.06 1.36 -0.00 -0.66 0.11 -0.36 -0.95 120.40 115.84 2hlu s VAL 34 Ca 0.26 -0.98 -0.14 0.00 -2.93 0.00 0.00 61.98 58.19 2hlu s VAL 34 Cb 0.07 -1.18 0.02 0.00 -1.53 0.00 0.00 36.38 33.76 2hlu s VAL 34 CO 0.03 0.18 0.29 -1.59 -3.33 0.00 0.00 175.10 170.69 2hlu s LYS 35 N -0.93 0.68 0.63 1.54 -2.85 -0.17 -0.98 119.74 117.66 2hlu s LYS 35 Ca 0.05 -0.27 -0.16 0.00 -1.00 0.00 0.00 55.97 54.59 2hlu s LYS 35 Cb -0.08 0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 35.97 2hlu s LYS 35 CO 0.01 -0.19 1.09 1.21 0.10 0.00 0.00 175.35 177.57 2hlu s ASN 36 N -1.47 5.39 -0.08 0.03 2.47 -1.26 -0.74 114.94 119.28 2hlu s ASN 36 Ca -0.12 1.96 0.02 0.00 0.42 0.00 0.00 52.86 55.13 2hlu s ASN 36 Cb -0.05 -2.55 -0.02 0.00 -1.45 0.00 0.00 41.25 37.18 2hlu s ASN 36 CO 0.03 -1.44 -0.13 -0.13 -3.72 0.00 0.00 177.10 171.71 2hlu s ARG 37 N -4.01 2.89 0.58 0.43 0.52 -0.12 -4.81 118.95 114.43 2hlu s ARG 37 Ca 0.66 -0.68 0.28 0.00 -0.52 0.00 0.00 55.73 55.48 2hlu s ARG 37 Cb -0.19 -2.50 1.75 0.00 0.52 0.00 0.00 34.95 34.52 2hlu s ARG 37 CO 0.38 0.46 2.23 0.22 0.02 0.00 0.00 175.30 178.62 2hlu h ASP 38 N 5.89 0.00 -0.34 0.23 3.58 -1.97 -0.75 116.42 123.07 2hlu h ASP 38 Ca -0.38 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.16 2hlu h ASP 38 Cb 1.18 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 2hlu h ASP 38 CO 0.53 0.00 0.24 -0.78 -2.88 0.00 0.00 179.24 176.35 2hlu h ASP 39 N 0.00 0.05 0.00 2.28 3.58 -2.05 -3.46 116.42 116.82 2hlu h ASP 39 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2hlu h ASP 39 Cb 0.04 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2hlu h ASP 39 CO -0.00 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 177.00 2hlu n GLY 40 N -1.59 1.51 3.93 -0.78 0.00 -0.29 -5.13 105.19 102.84 2hlu n GLY 40 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 0.83 0.15 1.61 3.00 -1.24 -4.86 118.95 118.45 2hlu s ARG 41 Ca 0.00 -0.39 0.08 0.00 0.00 0.00 0.00 55.73 55.42 2hlu s ARG 41 Cb 0.00 -1.88 -0.04 0.00 0.00 0.00 0.00 34.95 33.03 2hlu s ARG 41 CO 0.00 -2.28 -0.19 0.08 0.00 0.00 0.00 175.30 172.92 2hlu s VAL 42 N -3.82 1.79 0.02 3.52 1.01 -0.31 -0.95 120.40 121.66 2hlu s VAL 42 Ca 0.72 -1.85 0.04 0.00 0.00 0.00 0.00 61.98 60.89 2hlu s VAL 42 Cb -0.05 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2hlu s VAL 42 CO 0.52 -0.28 -0.13 -0.70 0.00 0.00 0.00 175.10 174.52 2hlu s GLU 43 N -2.65 0.93 0.08 2.72 2.12 0.08 -0.75 118.70 121.23 2hlu s GLU 43 Ca 0.14 -0.59 0.08 0.00 0.36 0.00 0.00 54.97 54.96 2hlu s GLU 43 Cb -0.06 -0.91 -0.03 0.00 0.26 0.00 0.00 34.13 33.38 2hlu s GLU 43 CO 0.06 0.24 -0.22 0.42 -0.54 0.00 0.00 175.26 175.22 2hlu s ILE 44 N -0.59 1.79 -0.11 -3.70 -1.09 0.04 -1.00 121.20 116.55 2hlu s ILE 44 Ca 0.03 -1.45 -0.05 0.00 -2.23 0.00 0.00 60.65 56.95 2hlu s ILE 44 Cb -0.06 -1.59 0.05 0.00 -1.58 0.00 0.00 42.46 39.27 2hlu s ILE 44 CO 0.00 0.07 0.23 -0.22 -1.23 0.00 0.00 174.94 173.79 2hlu s LEU 45 N -1.66 0.20 0.09 2.97 0.20 -0.13 -0.53 118.68 119.82 2hlu s LEU 45 Ca 0.08 0.50 -0.04 0.00 0.69 0.00 0.00 54.13 55.35 2hlu s LEU 45 Cb -0.10 0.64 -0.02 0.00 -0.43 0.00 0.00 46.19 46.28 2hlu s LEU 45 CO 0.04 -0.19 0.09 0.00 -0.29 0.00 0.00 176.35 175.99 2hlu s ALA 46 N 1.67 0.26 0.00 5.97 0.00 -0.69 -0.63 121.76 128.35 2hlu s ALA 46 Ca -0.05 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 50.89 2hlu s ALA 46 Cb -0.11 0.49 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 2hlu s ALA 46 CO -0.08 -0.46 0.00 -2.00 0.00 0.00 0.00 175.76 173.22 2hlu s GLU 47 N -3.92 0.14 0.00 0.00 2.12 0.18 -1.01 118.70 116.20 2hlu s GLU 47 Ca 0.10 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.20 2hlu s GLU 47 Cb 0.06 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.51 2hlu s GLU 47 CO -0.08 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 2hlu n GLY 48 N 2.48 -1.27 3.67 -1.50 0.00 -0.57 -2.31 105.19 105.69 2hlu n GLY 48 Ca -0.17 -1.19 -0.45 0.00 0.00 0.00 0.00 46.02 44.21 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 2.04 0.23 1.61 -0.02 -1.26 -0.86 135.00 136.73 2hlu n PRO 49 Ca 0.00 0.73 0.08 0.00 -2.02 0.00 0.00 63.50 62.29 2hlu n PRO 49 Cb 0.00 -2.41 0.56 0.00 -0.02 0.00 0.00 33.50 31.63 2hlu n PRO 49 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2hlu h GLU 50 N 4.66 0.00 -0.29 -0.52 9.09 -1.90 0.46 114.58 126.08 2hlu h GLU 50 Ca -0.45 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 58.84 2hlu h GLU 50 Cb 1.27 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.37 2hlu h GLU 50 CO 0.79 0.20 -0.30 -0.97 0.05 0.00 0.00 179.01 178.78 2hlu h ASN 51 N 0.00 0.77 -0.63 3.06 -1.24 -1.99 -1.24 115.58 114.31 2hlu h ASN 51 Ca -0.00 -0.48 -0.09 0.00 0.71 0.00 0.00 56.30 56.44 2hlu h ASN 51 Cb 0.43 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.24 2hlu h ASN 51 CO 0.03 1.09 0.05 0.00 -1.29 0.00 0.00 177.43 177.30 2hlu h ALA 52 N 0.71 0.88 -0.17 1.57 0.00 -1.71 -1.30 119.26 119.24 2hlu h ALA 52 Ca 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 2hlu h ALA 52 Cb 0.88 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2hlu h ALA 52 CO 0.07 0.67 0.09 -0.07 0.00 0.00 0.00 179.25 180.01 2hlu h LEU 53 N 1.00 0.22 -0.77 0.00 3.38 -0.92 0.25 115.31 118.47 2hlu h LEU 53 Ca 0.19 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.06 2hlu h LEU 53 Cb 0.51 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2hlu h LEU 53 CO 0.02 0.27 0.50 1.56 0.09 0.00 0.00 178.44 180.89 2hlu h GLN 54 N 0.16 0.97 -0.58 1.13 4.20 -1.04 0.13 115.11 120.07 2hlu h GLN 54 Ca 0.06 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2hlu h GLN 54 Cb 0.11 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 2hlu h GLN 54 CO -0.01 0.64 0.30 0.77 -0.67 0.00 0.00 178.83 179.87 2hlu h SER 55 N 1.00 0.71 0.16 1.46 0.02 -1.01 -1.28 113.55 114.62 2hlu h SER 55 Ca 0.29 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 61.07 2hlu h SER 55 Cb -0.06 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 2hlu h SER 55 CO -0.08 0.59 -0.43 0.15 -1.14 0.00 0.00 176.83 175.91 2hlu h PHE 56 N 0.80 0.41 -0.65 3.45 3.57 0.30 -1.10 116.94 123.72 2hlu h PHE 56 Ca 0.20 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2hlu h PHE 56 Cb 0.04 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 2hlu h PHE 56 CO 0.01 0.72 0.34 0.28 -2.23 0.00 0.00 178.31 177.43 2hlu h VAL 57 N 0.28 1.21 -0.80 1.41 2.07 -0.12 0.74 116.25 121.04 2hlu h VAL 57 Ca 0.02 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2hlu h VAL 57 Cb 0.88 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2hlu h VAL 57 CO 0.07 0.24 0.49 -0.33 0.02 0.00 0.00 177.57 178.06 2hlu h GLU 58 N 0.90 1.08 0.04 1.57 5.08 -0.78 0.12 114.58 122.59 2hlu h GLU 58 Ca 0.23 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2hlu h GLU 58 Cb 0.08 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2hlu h GLU 58 CO -0.03 0.75 -0.02 0.00 -1.00 0.00 0.00 179.01 178.71 2hlu h ALA 59 N 1.44 -0.05 -0.28 3.43 0.00 -0.81 -3.19 119.26 119.80 2hlu h ALA 59 Ca 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2hlu h ALA 59 Cb -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2hlu h ALA 59 CO -0.06 -0.40 0.15 0.28 0.00 0.00 0.00 179.25 179.22 2hlu h VAL 60 N -0.31 1.13 0.00 0.00 2.07 -0.32 -2.92 116.25 115.91 2hlu h VAL 60 Ca -0.01 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2hlu h VAL 60 Cb 0.28 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2hlu h VAL 60 CO 0.01 0.13 -0.04 0.07 0.02 0.00 0.00 177.57 177.76 2hlu h LYS 61 N 0.33 0.00 0.00 1.57 2.10 -0.86 -0.27 116.57 119.44 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 0.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 2hlu h LYS 61 CO -0.01 0.04 -0.34 -0.97 -2.00 0.00 0.00 179.45 176.17 2hlu h ASN 62 N 0.00 0.00 -3.57 7.07 -1.24 -1.49 -3.43 115.58 112.93 2hlu h ASN 62 Ca -0.00 0.00 0.15 0.00 0.71 0.00 0.00 56.30 57.16 2hlu h ASN 62 Cb 0.39 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.40 2hlu h ASN 62 CO 0.01 0.34 -0.19 0.61 -1.29 0.00 0.00 177.43 176.90 2hlu n GLY 63 N -0.44 -2.05 3.73 1.57 0.00 -0.11 -4.41 105.19 103.47 2hlu n GLY 63 Ca -0.02 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.32 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 4.02 0.47 1.61 0.01 -1.26 -4.86 113.70 109.51 2hlu s SER 64 Ca 0.00 2.11 0.29 0.00 1.31 0.00 0.00 55.95 59.66 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 -2.37 1.74 -0.65 0.41 0.00 0.00 173.24 172.37 2hlu h PRO 65 N -0.96 0.16 0.00 12.44 0.11 -1.97 -0.02 132.00 141.76 2hlu h PRO 65 Ca -0.45 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 2hlu h PRO 65 Cb 1.26 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2hlu h PRO 65 CO 0.48 0.11 -0.67 0.74 -0.21 0.00 0.00 178.00 178.45 2hlu h PHE 66 N 0.17 0.00 -4.05 0.65 0.04 -1.91 -3.46 116.94 108.37 2hlu h PHE 66 Ca 0.65 0.00 -0.45 0.00 2.80 0.00 0.00 57.97 60.98 2hlu h PHE 66 Cb 2.14 0.00 0.16 0.00 2.20 0.00 0.00 35.95 40.45 2hlu h PHE 66 CO -0.00 0.67 0.38 -1.12 -0.60 0.00 0.00 178.31 177.64 2hlu s SER 67 N -6.77 3.04 -0.15 2.17 0.01 -0.02 -4.99 113.70 106.99 2hlu s SER 67 Ca -0.01 0.42 -0.04 0.00 1.31 0.00 0.00 55.95 57.64 2hlu s SER 67 Cb 0.12 -0.58 0.07 0.00 0.21 0.00 0.00 66.02 65.84 2hlu s SER 67 CO 0.77 -2.79 0.19 -1.59 0.41 0.00 0.00 173.24 170.22 2hlu s LYS 68 N -5.75 0.12 0.24 12.44 -2.85 -0.46 -4.79 119.74 118.68 2hlu s LYS 68 Ca 0.71 0.35 -0.30 0.00 -1.00 0.00 0.00 55.97 55.74 2hlu s LYS 68 Cb -0.06 -0.83 -0.09 0.00 -2.06 0.00 0.00 37.83 34.79 2hlu s LYS 68 CO 0.53 -0.50 1.27 0.08 0.10 0.00 0.00 175.35 176.83 2hlu s VAL 69 N 2.30 3.17 -0.01 1.79 1.01 -1.26 -0.89 120.40 126.51 2hlu s VAL 69 Ca 0.04 1.03 0.01 0.00 0.00 0.00 0.00 61.98 63.07 2hlu s VAL 69 Cb -0.14 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2hlu s VAL 69 CO -0.09 0.19 0.02 0.35 0.00 0.00 0.00 175.10 175.57 2hlu n THR 70 N 2.00 0.00 -3.62 3.92 -2.24 0.16 -4.94 114.28 109.55 2hlu n THR 70 Ca 0.04 -0.09 -0.15 0.00 -2.27 0.00 0.00 64.05 61.58 2hlu n THR 70 Cb 0.43 0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.97 -0.41 -0.04 3.42 2.15 -1.03 -4.99 116.67 113.79 2hlu s ASP 71 Ca -0.00 0.29 -0.15 0.00 0.43 0.00 0.00 52.55 53.11 2hlu s ASP 71 Cb 0.01 0.44 0.03 0.00 -0.30 0.00 0.00 42.92 43.10 2hlu s ASP 71 CO 0.04 -0.60 0.35 -0.51 -0.17 0.00 0.00 175.17 174.28 2hlu s ILE 72 N -1.74 0.04 0.01 4.11 2.07 -1.26 -1.01 121.20 123.43 2hlu s ILE 72 Ca -0.09 -0.34 0.01 0.00 -1.41 0.00 0.00 60.65 58.81 2hlu s ILE 72 Cb -0.02 -0.62 -0.01 0.00 0.13 0.00 0.00 42.46 41.94 2hlu s ILE 72 CO 0.04 -0.19 -0.03 -0.44 -1.91 0.00 0.00 174.94 172.41 2hlu s SER 73 N -1.00 0.31 0.02 4.50 0.01 -0.02 -5.00 113.70 112.52 2hlu s SER 73 Ca -0.11 -0.27 0.02 0.00 1.31 0.00 0.00 55.95 56.90 2hlu s SER 73 Cb -0.04 0.03 -0.01 0.00 0.21 0.00 0.00 66.02 66.20 2hlu s SER 73 CO 0.04 -0.12 -0.06 -0.69 0.41 0.00 0.00 173.24 172.82 2hlu s VAL 74 N -0.72 0.41 -0.10 3.43 1.01 -1.26 -1.06 120.40 122.09 2hlu s VAL 74 Ca -0.07 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2hlu s VAL 74 Cb -0.05 -0.42 0.04 0.00 0.00 0.00 0.00 36.38 35.95 2hlu s VAL 74 CO -0.00 -0.14 0.04 -0.89 0.00 0.00 0.00 175.10 174.11 2hlu s THR 75 N -0.71 0.20 0.68 3.92 2.01 -0.09 -5.00 115.64 116.63 2hlu s THR 75 Ca -0.04 0.02 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 2hlu s THR 75 Cb -0.06 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 71.93 2hlu s THR 75 CO -0.00 0.05 1.10 -1.83 -0.69 0.00 0.00 174.62 173.26 2hlu s GLU 76 N 2.03 2.74 0.04 4.92 -1.05 -1.26 -0.76 118.70 125.36 2hlu s GLU 76 Ca 0.03 1.33 -0.03 0.00 -0.15 0.00 0.00 54.97 56.15 2hlu s GLU 76 Cb -0.14 -1.95 -0.02 0.00 -0.44 0.00 0.00 34.13 31.58 2hlu s GLU 76 CO -0.06 -1.29 0.03 -1.12 0.95 0.00 0.00 175.26 173.77 2hlu s SER 77 N -2.78 0.31 -0.26 0.83 0.01 -0.06 -4.86 113.70 106.89 2hlu s SER 77 Ca 0.65 -0.73 0.23 0.00 1.31 0.00 0.00 55.95 57.41 2hlu s SER 77 Cb -0.19 0.20 0.51 0.00 0.21 0.00 0.00 66.02 66.75 2hlu s SER 77 CO 0.44 -0.53 1.12 0.54 0.41 0.00 0.00 173.24 175.22 2hlu n ARG 78 N 0.57 1.72 -3.19 12.44 1.74 -1.26 -3.28 116.66 125.40 2hlu n ARG 78 Ca -0.17 -3.48 -0.22 0.00 -0.77 0.00 0.00 57.85 53.21 2hlu n ARG 78 Cb 0.59 -1.58 -0.05 0.00 -1.02 0.00 0.00 32.46 30.40 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 -0.61 0.79 -4.48 0.55 7.64 -1.26 -5.12 113.62 111.13 2hlu n SER 79 Ca 0.07 -2.90 -0.39 0.00 1.01 0.00 0.00 58.87 56.66 2hlu n SER 79 Cb 0.80 -0.63 0.03 0.00 -1.01 0.00 0.00 64.21 63.40 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 0.85 0.90 0.05 -3.43 4.77 -1.26 -4.94 117.00 113.94 2hlu n LEU 80 Ca 0.23 0.80 -0.09 0.00 -0.03 0.00 0.00 56.01 56.93 2hlu n LEU 80 Cb 0.57 -1.19 0.05 0.00 -2.33 0.00 0.00 43.42 40.52 2hlu n LEU 80 CO 0.21 -2.83 0.39 -0.33 -1.33 0.00 0.00 177.39 173.50 2hlu h GLU 81 N 0.48 0.39 -0.81 3.23 4.39 -1.97 -3.47 114.58 116.82 2hlu h GLU 81 Ca -0.45 -0.30 -0.35 0.00 0.34 0.00 0.00 59.36 58.61 2hlu h GLU 81 Cb 1.39 0.06 -0.14 0.00 -0.10 0.00 0.00 28.75 29.96 2hlu h GLU 81 CO 0.49 0.93 -0.31 0.41 -1.16 0.00 0.00 179.01 179.37 2hlu n GLY 82 N 0.47 1.62 3.76 -3.84 0.00 -1.26 -4.98 105.19 100.96 2hlu n GLY 82 Ca -0.04 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.46 2.53 0.00 1.61 3.76 -1.26 -5.02 115.29 114.45 2hlu s HIS 83 Ca 0.00 1.10 0.00 0.00 -0.15 0.00 0.00 55.06 56.01 2hlu s HIS 83 Cb 0.00 -3.21 0.00 0.00 1.11 0.00 0.00 32.58 30.48 2hlu s HIS 83 CO 0.00 -2.20 0.50 -2.39 -0.85 0.00 0.00 174.74 169.79 2hlu n HIS 84 N -3.72 0.00 -3.95 1.40 1.44 -1.26 -4.87 115.22 104.27 2hlu n HIS 84 Ca 0.07 -0.12 -0.10 0.00 -2.01 0.00 0.00 57.72 55.57 2hlu n HIS 84 Cb 0.57 -0.01 -0.07 0.00 0.12 0.00 0.00 29.99 30.60 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 -0.23 1.17 0.16 -1.40 1.70 -1.26 -4.96 118.95 114.14 2hlu s ARG 85 Ca 0.00 -1.16 -0.01 0.00 -0.47 0.00 0.00 55.73 54.10 2hlu s ARG 85 Cb 0.00 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.72 2hlu s ARG 85 CO 0.00 -0.44 0.35 0.12 -1.08 0.00 0.00 175.30 174.25 2hlu s PHE 86 N -3.96 3.49 0.05 5.89 5.36 -1.24 -1.52 117.98 126.05 2hlu s PHE 86 Ca 0.17 0.33 -0.02 0.00 -0.96 0.00 0.00 56.93 56.44 2hlu s PHE 86 Cb 0.03 -1.83 -0.03 0.00 -0.34 0.00 0.00 43.02 40.84 2hlu s PHE 86 CO -0.00 0.44 0.01 -1.12 -1.46 0.00 0.00 175.22 173.09 2hlu s SER 87 N -2.96 0.41 -0.18 6.13 0.01 -0.19 -4.89 113.70 112.03 2hlu s SER 87 Ca 0.38 -0.89 -0.07 0.00 1.31 0.00 0.00 55.95 56.67 2hlu s SER 87 Cb -0.11 0.21 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 2hlu s SER 87 CO 0.28 -0.59 0.07 -0.63 0.41 0.00 0.00 173.24 172.78 2hlu s ILE 88 N -3.67 4.85 0.13 1.44 1.01 -1.26 -1.22 121.20 122.48 2hlu s ILE 88 Ca 0.04 -0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.71 2hlu s ILE 88 Cb 0.06 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 2hlu s ILE 88 CO -0.09 0.47 -0.08 -0.69 0.00 0.00 0.00 174.94 174.55 2hlu s VAL 89 N 0.26 0.97 0.00 2.92 1.01 -0.15 -4.95 120.40 120.47 2hlu s VAL 89 Ca 0.04 -2.01 0.00 0.00 0.00 0.00 0.00 61.98 60.01 2hlu s VAL 89 Cb -0.12 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2hlu s VAL 89 CO 0.00 -0.78 0.16 -1.22 0.00 0.00 0.00 175.10 173.26 2hlu n TYR 90 N -0.14 0.00 0.00 5.22 4.01 -1.26 -4.05 117.16 120.93 2hlu n TYR 90 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2hlu n TYR 90 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.64 2hlu n TYR 90 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83