#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhl n GLY 3 N 0.00 1.99 3.62 1.09 0.00 -1.21 -5.07 105.19 105.60 3hhl n GLY 3 Ca 0.00 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 3hhl n GLY 3 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hhl s HIS 4 N 1.27 3.27 -0.06 1.61 4.02 -1.26 -4.88 115.29 119.26 3hhl s HIS 4 Ca 0.00 0.30 -0.02 0.00 1.02 0.00 0.00 55.06 56.36 3hhl s HIS 4 Cb 0.00 -2.43 -0.03 0.00 -1.02 0.00 0.00 32.58 29.10 3hhl s HIS 4 CO 0.00 -0.11 -0.07 -0.89 1.02 0.00 0.00 174.74 174.69 3hhl n ILE 5 N 4.81 0.35 -4.42 0.60 5.41 -1.26 -1.62 119.36 123.21 3hhl n ILE 5 Ca -0.12 -0.11 -0.24 0.00 1.00 0.00 0.00 62.75 63.29 3hhl n ILE 5 Cb 0.51 -1.20 -0.09 0.00 -0.71 0.00 0.00 39.64 38.15 3hhl n ILE 5 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 3hhl s ASP 6 N -5.13 3.85 0.49 4.38 1.01 -1.26 -4.98 116.67 115.03 3hhl s ASP 6 Ca -0.08 -0.92 -0.18 0.00 0.71 0.00 0.00 52.55 52.07 3hhl s ASP 6 Cb 0.03 -0.45 -0.09 0.00 1.01 0.00 0.00 42.92 43.42 3hhl s ASP 6 CO 0.12 0.03 0.99 -2.16 0.21 0.00 0.00 175.17 174.36 3hhl s PRO 7 N -3.54 3.97 0.52 8.23 0.04 -1.26 -5.06 135.00 137.90 3hhl s PRO 7 Ca 0.30 1.06 -0.11 0.00 0.04 0.00 0.00 61.00 62.30 3hhl s PRO 7 Cb -0.05 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 3hhl s PRO 7 CO 0.16 -0.26 0.91 0.95 0.04 0.00 0.00 177.00 178.80 3hhl s THR 8 N -2.42 4.74 0.30 1.26 -4.23 -1.26 -4.94 115.64 109.09 3hhl s THR 8 Ca 0.61 0.72 -0.00 0.00 -1.18 0.00 0.00 61.69 61.84 3hhl s THR 8 Cb -0.11 -3.81 0.18 0.00 1.34 0.00 0.00 72.50 70.10 3hhl s THR 8 CO 0.25 -0.86 1.87 0.07 -0.54 0.00 0.00 174.62 175.40 3hhl h LYS 9 N 0.36 0.82 -0.37 3.99 2.10 -1.99 -1.50 116.57 119.98 3hhl h LYS 9 Ca -0.46 -0.14 -0.04 0.00 -2.00 0.00 0.00 60.65 58.01 3hhl h LYS 9 Cb 1.19 -0.14 -0.02 0.00 -0.90 0.00 0.00 32.23 32.37 3hhl h LYS 9 CO 0.62 0.70 0.08 0.93 -2.00 0.00 0.00 179.45 179.78 3hhl h GLU 10 N 0.80 0.61 -0.29 0.07 5.08 -2.00 -1.64 114.58 117.21 3hhl h GLU 10 Ca 0.19 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 3hhl h GLU 10 Cb 0.21 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3hhl h GLU 10 CO -0.01 0.65 -0.42 0.28 -1.00 0.00 0.00 179.01 178.51 3hhl h VAL 11 N 0.46 1.29 -0.00 3.13 2.07 -1.93 -2.13 116.25 119.14 3hhl h VAL 11 Ca 0.12 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.00 3hhl h VAL 11 Cb 0.33 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3hhl h VAL 11 CO 0.00 0.52 -0.17 0.15 0.02 0.00 0.00 177.57 178.09 3hhl h PHE 12 N 0.58 0.01 -0.50 1.57 3.57 -1.14 -1.36 116.94 119.66 3hhl h PHE 12 Ca 0.04 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 3hhl h PHE 12 Cb 0.96 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 3hhl h PHE 12 CO 0.05 0.17 0.05 0.00 -2.23 0.00 0.00 178.31 176.36 3hhl h ALA 13 N 1.83 0.67 -0.84 2.41 0.00 -0.68 -2.07 119.26 120.57 3hhl h ALA 13 Ca -0.00 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.71 3hhl h ALA 13 Cb 0.30 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 3hhl h ALA 13 CO 0.02 0.43 0.55 1.96 0.00 0.00 0.00 179.25 182.21 3hhl h GLN 14 N 0.72 0.92 0.31 0.00 4.20 -0.77 0.11 115.11 120.60 3hhl h GLN 14 Ca 0.15 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.79 3hhl h GLN 14 Cb 0.44 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.02 3hhl h GLN 14 CO 0.02 0.61 -0.15 0.35 -0.67 0.00 0.00 178.83 178.98 3hhl h PHE 15 N 0.94 -0.38 -0.89 2.96 3.57 -0.82 -2.61 116.94 119.71 3hhl h PHE 15 Ca 0.35 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.89 3hhl h PHE 15 Cb 0.19 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 3hhl h PHE 15 CO -0.00 -0.15 0.59 0.00 -2.23 0.00 0.00 178.31 176.51 3hhl h ARG 16 N -0.54 1.06 -0.62 1.11 3.08 -1.18 -2.92 114.38 114.38 3hhl h ARG 16 Ca -0.04 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3hhl h ARG 16 Cb 0.40 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3hhl h ARG 16 CO 0.07 0.70 0.40 0.00 -1.07 0.00 0.00 179.97 180.08 3hhl h ALA 17 N 1.49 1.54 -2.12 0.04 0.00 -0.50 -3.28 119.26 116.42 3hhl h ALA 17 Ca 0.36 -0.05 -0.75 0.00 0.00 0.00 0.00 54.91 54.47 3hhl h ALA 17 Cb 0.06 -0.25 -0.22 0.00 0.00 0.00 0.00 17.79 17.38 3hhl h ALA 17 CO -0.11 0.42 0.84 1.21 0.00 0.00 0.00 179.25 181.61 3hhl s ASN 18 N -6.49 7.01 -0.41 0.00 2.47 -1.01 -4.84 114.94 111.67 3hhl s ASN 18 Ca -0.10 -2.93 0.05 0.00 0.42 0.00 0.00 52.86 50.30 3hhl s ASN 18 Cb 0.18 -2.32 0.53 0.00 -1.45 0.00 0.00 41.25 38.19 3hhl s ASN 18 CO 0.76 -0.66 1.67 -0.90 -3.72 0.00 0.00 177.10 174.25 3hhl n ASP 19 N 4.81 4.20 -4.74 -4.21 5.75 -1.24 -4.95 116.55 116.16 3hhl n ASP 19 Ca 0.28 -3.74 -0.40 0.00 -0.01 0.00 0.00 54.79 50.91 3hhl n ASP 19 Cb 0.44 -0.73 0.02 0.00 -1.03 0.00 0.00 41.12 39.82 3hhl n ASP 19 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3hhl n ARG 20 N -1.04 2.14 -2.07 0.11 0.00 -1.26 -4.90 116.66 109.65 3hhl n ARG 20 Ca 0.48 0.76 -0.41 0.00 -0.00 0.00 0.00 57.85 58.68 3hhl n ARG 20 Cb 1.13 -2.55 -0.02 0.00 -0.00 0.00 0.00 32.46 31.01 3hhl n ARG 20 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3hhl s GLU 21 N -2.38 4.31 0.00 2.89 2.12 -1.26 -4.76 118.70 119.61 3hhl s GLU 21 Ca 0.61 2.26 0.00 0.00 0.36 0.00 0.00 54.97 58.20 3hhl s GLU 21 Cb -0.47 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 30.84 3hhl s GLU 21 CO 0.57 -0.29 0.00 0.41 -0.54 0.00 0.00 175.26 175.41 3hhl n GLY 22 N 1.32 4.03 3.71 -1.50 0.00 -1.26 -5.09 105.19 106.40 3hhl n GLY 22 Ca 0.03 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 3hhl n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hhl s PRO 23 N -2.95 1.91 -0.03 1.61 0.02 -1.24 -4.25 135.00 130.07 3hhl s PRO 23 Ca 0.00 1.77 0.06 0.00 0.02 0.00 0.00 61.00 62.85 3hhl s PRO 23 Cb 0.00 -1.80 -0.01 0.00 0.02 0.00 0.00 34.50 32.70 3hhl s PRO 23 CO 0.00 -2.01 -0.22 0.96 -0.33 0.00 0.00 177.00 175.40 3hhl s ILE 24 N -2.04 1.75 0.00 2.83 -4.36 -0.77 -4.48 121.20 114.13 3hhl s ILE 24 Ca 0.74 -0.92 0.00 0.00 -0.26 0.00 0.00 60.65 60.21 3hhl s ILE 24 Cb -0.29 -1.47 0.00 0.00 1.25 0.00 0.00 42.46 41.95 3hhl s ILE 24 CO 0.48 0.49 0.00 1.41 0.24 0.00 0.00 174.94 177.56 3hhl n HIS 25 N 2.79 -1.53 -3.40 1.37 8.25 -0.18 -1.61 115.22 120.91 3hhl n HIS 25 Ca -0.17 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.31 3hhl n HIS 25 Cb 0.52 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.60 3hhl n HIS 25 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3hhl s LEU 27 N 0.00 -0.79 -0.20 2.41 2.96 -0.16 -0.18 118.68 122.71 3hhl s LEU 27 Ca 0.00 0.93 -0.07 0.00 -0.22 0.00 0.00 54.13 54.77 3hhl s LEU 27 Cb 0.00 1.84 -0.04 0.00 0.50 0.00 0.00 46.19 48.49 3hhl s LEU 27 CO 0.00 -0.15 0.05 0.20 -1.32 0.00 0.00 176.35 175.13 3hhl s ASN 28 N 2.67 5.37 -0.25 3.68 0.01 0.41 -0.39 114.94 126.43 3hhl s ASN 28 Ca -0.01 -0.04 -0.01 0.00 -0.71 0.00 0.00 52.86 52.10 3hhl s ASN 28 Cb -0.09 -1.93 0.03 0.00 0.41 0.00 0.00 41.25 39.67 3hhl s ASN 28 CO -0.17 0.10 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.69 3hhl s LEU 29 N 0.78 3.26 -0.15 0.60 1.43 0.07 -2.32 118.68 122.35 3hhl s LEU 29 Ca 0.03 -1.00 0.01 0.00 -1.03 0.00 0.00 54.13 52.15 3hhl s LEU 29 Cb -0.14 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.46 3hhl s LEU 29 CO 0.02 -0.15 -0.18 -0.69 0.23 0.00 0.00 176.35 175.58 3hhl s VAL 30 N 1.28 1.82 -0.28 -1.59 1.01 0.07 -0.47 120.40 122.24 3hhl s VAL 30 Ca -0.02 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 3hhl s VAL 30 Cb -0.17 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 3hhl s VAL 30 CO -0.05 0.50 0.14 -0.60 0.00 0.00 0.00 175.10 175.09 3hhl s ARG 31 N 1.19 3.60 0.22 2.72 3.52 0.55 0.09 118.95 130.84 3hhl s ARG 31 Ca 0.00 -0.54 -0.14 0.00 -0.13 0.00 0.00 55.73 54.93 3hhl s ARG 31 Cb -0.14 -3.52 -0.08 0.00 -1.56 0.00 0.00 34.95 29.66 3hhl s ARG 31 CO -0.08 -0.28 0.62 -0.51 -0.81 0.00 0.00 175.30 174.23 3hhl s LEU 32 N 1.66 4.24 0.32 -0.88 1.43 -1.26 -0.38 118.68 123.80 3hhl s LEU 32 Ca 0.06 1.14 -0.24 0.00 -1.03 0.00 0.00 54.13 54.05 3hhl s LEU 32 Cb -0.16 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 3hhl s LEU 32 CO 0.07 -0.02 0.91 0.00 0.23 0.00 0.00 176.35 177.54 3hhl s ARG 33 N -2.39 4.49 0.12 1.70 1.70 0.17 -4.61 118.95 120.13 3hhl s ARG 33 Ca 0.44 1.23 -0.23 0.00 -0.47 0.00 0.00 55.73 56.70 3hhl s ARG 33 Cb -0.13 -2.73 -0.05 0.00 -0.57 0.00 0.00 34.95 31.46 3hhl s ARG 33 CO 0.20 0.26 1.67 -1.35 -1.08 0.00 0.00 175.30 175.00 3hhl h PRO 34 N 3.05 -0.20 -5.16 3.89 0.11 -1.97 -2.69 132.00 129.03 3hhl h PRO 34 Ca -0.47 0.01 -0.64 0.00 0.11 0.00 0.00 66.00 65.01 3hhl h PRO 34 Cb 1.19 0.05 -0.23 0.00 0.11 0.00 0.00 31.00 32.11 3hhl h PRO 34 CO 0.65 -0.13 -0.68 -0.98 -0.21 0.00 0.00 178.00 176.65 3hhl s ARG 35 N -6.14 3.59 0.27 1.05 1.04 -1.26 -2.48 118.95 115.02 3hhl s ARG 35 Ca -0.14 -0.54 -0.30 0.00 -1.04 0.00 0.00 55.73 53.70 3hhl s ARG 35 Cb 0.09 -3.00 -0.12 0.00 -2.04 0.00 0.00 34.95 29.88 3hhl s ARG 35 CO 0.67 0.06 1.63 0.00 -0.04 0.00 0.00 175.30 177.62 3hhl s ALA 36 N 0.86 3.80 -1.05 7.88 0.00 0.14 -4.70 121.76 128.69 3hhl s ALA 36 Ca -0.00 1.59 -0.05 0.00 0.00 0.00 0.00 51.96 53.49 3hhl s ALA 36 Cb -0.14 -3.66 0.28 0.00 0.00 0.00 0.00 23.12 19.60 3hhl s ALA 36 CO 0.02 -0.98 1.21 0.00 0.00 0.00 0.00 175.76 176.00 3hhl n ALA 37 N 2.62 4.57 -1.82 0.00 0.00 -0.07 -4.65 120.51 121.15 3hhl n ALA 37 Ca 0.10 -4.72 -0.32 0.00 0.00 0.00 0.00 53.44 48.49 3hhl n ALA 37 Cb 0.37 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.56 3hhl n ALA 37 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hhl s TYR 38 N -2.00 3.38 0.03 0.00 1.51 -1.26 -4.39 117.35 114.61 3hhl s TYR 38 Ca 0.31 1.48 -0.23 0.00 -1.01 0.00 0.00 57.07 57.62 3hhl s TYR 38 Cb -0.02 -2.83 -0.16 0.00 -0.11 0.00 0.00 41.96 38.85 3hhl s TYR 38 CO -0.00 -0.47 1.43 -1.35 -1.11 0.00 0.00 175.55 174.04 3hhl h PRO 39 N 0.90 0.15 -7.17 -1.71 0.11 -1.96 -3.40 132.00 118.91 3hhl h PRO 39 Ca -0.47 -0.05 -0.54 0.00 0.11 0.00 0.00 66.00 65.05 3hhl h PRO 39 Cb 1.19 -0.01 0.16 0.00 0.11 0.00 0.00 31.00 32.45 3hhl h PRO 39 CO 0.61 0.46 0.40 0.16 -0.21 0.00 0.00 178.00 179.42 3hhl s ASP 40 N -5.71 4.22 0.00 -2.05 -4.77 -1.26 -4.88 116.67 102.21 3hhl s ASP 40 Ca -0.15 2.37 0.25 0.00 -3.30 0.00 0.00 52.55 51.72 3hhl s ASP 40 Cb 0.04 -2.59 1.48 0.00 -1.09 0.00 0.00 42.92 40.76 3hhl s ASP 40 CO 0.70 -2.25 1.85 0.61 0.70 0.00 0.00 175.17 176.78 3hhl n GLY 41 N 0.43 -0.79 3.40 2.12 0.00 -1.26 -4.95 105.19 104.14 3hhl n GLY 41 Ca 0.14 -0.15 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3hhl n GLY 41 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hhl n ARG 42 N -1.01 0.32 -3.68 1.61 1.85 -1.26 -4.89 116.66 109.61 3hhl n ARG 42 Ca 0.18 0.12 -0.39 0.00 -1.00 0.00 0.00 57.85 56.76 3hhl n ARG 42 Cb 0.09 -1.26 -0.12 0.00 -1.05 0.00 0.00 32.46 30.13 3hhl n ARG 42 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 3hhl s GLU 43 N -1.26 3.12 0.17 2.89 2.56 -1.26 -4.65 118.70 120.27 3hhl s GLU 43 Ca 0.62 -0.86 -0.17 0.00 0.00 0.00 0.00 54.97 54.55 3hhl s GLU 43 Cb -0.70 -3.54 0.03 0.00 2.00 0.00 0.00 34.13 31.92 3hhl s GLU 43 CO 0.59 -0.50 0.50 -0.08 -0.56 0.00 0.00 175.26 175.21 3hhl s THR 44 N 1.56 0.04 0.53 -1.70 -1.32 -1.26 -5.06 115.64 108.42 3hhl s THR 44 Ca 0.03 -0.66 -0.17 0.00 -1.21 0.00 0.00 61.69 59.68 3hhl s THR 44 Cb -0.18 -1.42 -0.07 0.00 -1.51 0.00 0.00 72.50 69.32 3hhl s THR 44 CO 0.05 -0.16 1.01 0.42 -2.21 0.00 0.00 174.62 173.73 3hhl s THR 45 N -3.85 4.26 0.29 5.08 -4.23 -1.26 -0.68 115.64 115.24 3hhl s THR 45 Ca 0.07 1.12 0.02 0.00 -1.18 0.00 0.00 61.69 61.72 3hhl s THR 45 Cb -0.00 -3.59 0.28 0.00 1.34 0.00 0.00 72.50 70.53 3hhl s THR 45 CO -0.06 -0.59 1.81 1.23 -0.54 0.00 0.00 174.62 176.47 3hhl h GLY 46 N 0.86 1.66 0.95 3.99 0.00 -1.15 -1.72 103.07 107.66 3hhl h GLY 46 Ca -0.47 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 46.47 3hhl h GLY 46 CO 0.60 0.07 0.15 0.00 0.00 0.00 0.00 176.54 177.36 3hhl h ALA 47 N 1.57 0.34 -0.89 3.60 0.00 -1.86 0.11 119.26 122.13 3hhl h ALA 47 Ca 0.52 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.38 3hhl h ALA 47 Cb 0.63 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 3hhl h ALA 47 CO -0.31 -0.13 0.59 0.93 0.00 0.00 0.00 179.25 180.33 3hhl h GLU 48 N 0.32 1.15 -0.41 0.00 5.08 -1.83 -0.03 114.58 118.86 3hhl h GLU 48 Ca 0.09 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 3hhl h GLU 48 Cb 0.06 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3hhl h GLU 48 CO -0.02 0.76 -0.27 0.00 -1.00 0.00 0.00 179.01 178.49 3hhl h ALA 49 N 1.33 0.59 -0.69 3.43 0.00 -0.89 -1.85 119.26 121.18 3hhl h ALA 49 Ca 0.33 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3hhl h ALA 49 Cb -0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3hhl h ALA 49 CO -0.08 0.61 0.16 -0.92 0.00 0.00 0.00 179.25 179.02 3hhl h TYR 50 N 0.73 1.18 -0.37 0.00 5.03 -0.52 -1.68 116.97 121.35 3hhl h TYR 50 Ca 0.08 -0.15 0.05 0.00 2.58 0.00 0.00 58.73 61.29 3hhl h TYR 50 Cb 0.85 -0.33 -0.04 0.00 1.55 0.00 0.00 36.73 38.76 3hhl h TYR 50 CO 0.06 0.96 0.11 0.00 -1.32 0.00 0.00 178.16 177.98 3hhl h ALA 51 N 1.07 0.42 -0.57 1.82 0.00 -0.83 -0.76 119.26 120.40 3hhl h ALA 51 Ca 0.22 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.19 3hhl h ALA 51 Cb 0.39 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3hhl h ALA 51 CO 0.00 -0.28 0.37 0.00 0.00 0.00 0.00 179.25 179.34 3hhl h ALA 52 N 1.24 0.73 -0.18 0.00 0.00 -0.96 0.39 119.26 120.49 3hhl h ALA 52 Ca 0.17 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3hhl h ALA 52 Cb 0.16 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3hhl h ALA 52 CO -0.19 0.13 -0.22 -0.92 0.00 0.00 0.00 179.25 178.05 3hhl h TYR 53 N 0.75 -0.59 0.14 0.00 3.20 -0.76 -0.02 116.97 119.69 3hhl h TYR 53 Ca 0.22 0.03 0.02 0.00 3.14 0.00 0.00 58.73 62.14 3hhl h TYR 53 Cb -0.05 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 3hhl h TYR 53 CO -0.04 -0.30 -0.29 0.78 -1.64 0.00 0.00 178.16 176.66 3hhl h GLY 54 N -0.26 -0.56 -0.58 1.82 0.00 -0.62 0.76 103.07 103.63 3hhl h GLY 54 Ca 0.12 0.34 0.14 0.00 0.00 0.00 0.00 47.33 47.93 3hhl h GLY 54 CO -0.33 -0.24 -0.26 -0.09 0.00 0.00 0.00 176.54 175.62 3hhl h ARG 55 N -0.52 -0.05 0.00 4.80 2.43 0.19 -1.05 114.38 120.18 3hhl h ARG 55 Ca 0.03 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3hhl h ARG 55 Cb 0.54 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3hhl h ARG 55 CO -0.16 -0.03 -0.84 -0.44 -1.51 0.00 0.00 179.97 176.99 3hhl h ASP 56 N -0.05 0.00 0.50 -3.80 3.32 -0.79 -3.35 116.42 112.25 3hhl h ASP 56 Ca 0.33 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.29 3hhl h ASP 56 Cb 0.57 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 3hhl h ASP 56 CO -0.79 0.10 -1.57 -1.54 -1.72 0.00 0.00 179.24 173.71 3hhl n SER 57 N -2.81 0.50 -0.22 6.45 3.41 0.24 -4.53 113.62 116.66 3hhl n SER 57 Ca -0.00 0.20 -0.06 0.00 -0.26 0.00 0.00 58.87 58.76 3hhl n SER 57 Cb 0.59 0.91 -0.00 0.00 -0.26 0.00 0.00 64.21 65.45 3hhl n SER 57 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hhl h GLY 58 N 3.92 -0.17 1.81 5.00 0.00 -1.33 -1.55 103.07 110.75 3hhl h GLY 58 Ca -0.10 0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 3hhl h GLY 58 CO 0.02 -0.20 -0.03 -2.55 0.00 0.00 0.00 176.54 173.78 3hhl h PRO 59 N -0.16 0.24 -0.17 4.80 0.11 -1.80 -0.11 132.00 134.91 3hhl h PRO 59 Ca 0.23 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.24 3hhl h PRO 59 Cb 0.56 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.62 3hhl h PRO 59 CO -0.71 0.30 -0.15 0.28 -0.21 0.00 0.00 178.00 177.50 3hhl h VAL 60 N 0.24 1.34 -0.35 3.15 2.07 -1.58 -1.77 116.25 119.33 3hhl h VAL 60 Ca 0.05 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.27 3hhl h VAL 60 Cb 0.22 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 3hhl h VAL 60 CO 0.01 0.39 0.23 -1.28 0.02 0.00 0.00 177.57 176.94 3hhl h SER 61 N 0.05 0.41 -0.54 0.57 0.87 -0.82 -2.46 113.55 111.64 3hhl h SER 61 Ca 0.03 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3hhl h SER 61 Cb 0.68 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.52 3hhl h SER 61 CO 0.04 0.30 0.31 -0.08 -0.53 0.00 0.00 176.83 176.87 3hhl h GLU 62 N 0.48 0.74 -0.55 2.24 4.81 -1.00 0.22 114.58 121.51 3hhl h GLU 62 Ca 0.13 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3hhl h GLU 62 Cb -0.05 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.16 3hhl h GLU 62 CO -0.03 0.56 0.26 -0.09 -0.73 0.00 0.00 179.01 178.98 3hhl h ARG 63 N 0.72 0.78 -0.62 1.92 2.43 -1.09 -2.81 114.38 115.70 3hhl h ARG 63 Ca 0.19 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3hhl h ARG 63 Cb 0.02 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.42 3hhl h ARG 63 CO -0.03 0.60 0.00 1.28 -1.51 0.00 0.00 179.97 180.31 3hhl n LEU 64 N -4.37 3.59 0.00 3.80 4.77 -0.95 -4.95 117.00 118.90 3hhl n LEU 64 Ca 0.05 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.22 3hhl n LEU 64 Cb 0.13 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3hhl n LEU 64 CO 0.38 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.81 3hhl n GLY 65 N 1.28 0.40 3.42 -0.72 0.00 -0.87 -4.71 105.19 103.98 3hhl n GLY 65 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3hhl n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hhl s GLY 66 N -1.36 1.48 -0.27 -0.02 0.00 0.72 -4.43 107.32 103.44 3hhl s GLY 66 Ca 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 44.72 44.18 3hhl s GLY 66 CO 0.00 0.36 -0.00 0.14 0.00 0.00 0.00 173.10 173.59 3hhl s VAL 68 N -2.43 3.34 -0.46 1.40 1.01 -1.26 -4.29 120.40 117.72 3hhl s VAL 68 Ca 0.69 -0.87 0.22 0.00 0.00 0.00 0.00 61.98 62.01 3hhl s VAL 68 Cb -0.19 -2.71 -0.24 0.00 0.00 0.00 0.00 36.38 33.25 3hhl s VAL 68 CO 0.61 0.15 0.76 1.33 0.00 0.00 0.00 175.10 177.96 3hhl n VAL 69 N 4.75 0.07 -3.63 2.92 0.24 -0.26 -4.95 118.33 117.48 3hhl n VAL 69 Ca -0.16 -0.30 -0.15 0.00 -2.04 0.00 0.00 64.34 61.69 3hhl n VAL 69 Cb 0.47 0.31 -0.07 0.00 -1.47 0.00 0.00 33.84 33.08 3hhl n VAL 69 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3hhl s TRP 70 N -3.29 -0.57 -0.13 6.34 -0.00 -1.16 -4.99 118.94 115.15 3hhl s TRP 70 Ca -0.00 1.18 -0.14 0.00 -0.00 0.00 0.00 56.10 57.14 3hhl s TRP 70 Cb 0.14 0.27 0.04 0.00 -0.00 0.00 0.00 33.47 33.92 3hhl s TRP 70 CO 0.87 -0.44 0.38 -1.14 -0.00 0.00 0.00 176.95 176.61 3hhl s GLN 71 N -0.56 0.48 0.02 5.86 0.74 -1.26 -0.32 119.66 124.62 3hhl s GLN 71 Ca -0.07 0.46 -0.02 0.00 0.05 0.00 0.00 55.36 55.79 3hhl s GLN 71 Cb -0.03 0.23 -0.02 0.00 1.10 0.00 0.00 33.01 34.29 3hhl s GLN 71 CO 0.05 -0.07 0.01 0.20 -0.55 0.00 0.00 175.29 174.93 3hhl s GLY 72 N 0.04 0.23 -0.14 2.59 0.00 -0.72 -5.01 107.32 104.30 3hhl s GLY 72 Ca -0.01 -0.59 -0.22 0.00 0.00 0.00 0.00 44.72 43.89 3hhl s GLY 72 CO 0.01 -0.69 0.68 1.62 0.00 0.00 0.00 173.10 174.73 3hhl s GLN 73 N -1.86 4.31 0.16 2.90 0.74 -1.26 -3.96 119.66 120.69 3hhl s GLN 73 Ca -0.12 0.77 -0.31 0.00 0.05 0.00 0.00 55.36 55.75 3hhl s GLN 73 Cb -0.07 -3.52 -0.10 0.00 1.10 0.00 0.00 33.01 30.42 3hhl s GLN 73 CO -0.02 -0.13 1.53 0.12 -0.55 0.00 0.00 175.29 176.24 3hhl s PHE 74 N 1.49 3.10 -0.03 1.67 5.36 -1.26 -4.91 117.98 123.40 3hhl s PHE 74 Ca 0.33 0.70 0.02 0.00 -0.96 0.00 0.00 56.93 57.02 3hhl s PHE 74 Cb -0.17 -3.88 -0.03 0.00 -0.34 0.00 0.00 43.02 38.61 3hhl s PHE 74 CO 0.13 -3.20 -0.01 0.39 -1.46 0.00 0.00 175.22 171.07 3hhl n GLU 75 N 3.94 1.89 0.00 10.12 1.02 -1.26 -5.06 120.64 131.28 3hhl n GLU 75 Ca 0.13 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3hhl n GLU 75 Cb 0.39 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 3hhl n GLU 75 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3hhl n LEU 76 N -2.35 0.00 0.00 -4.62 7.94 -1.26 -5.20 117.00 111.51 3hhl n LEU 76 Ca -0.06 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 3hhl n LEU 76 Cb 0.58 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.53 3hhl n LEU 76 CO 0.05 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.22 3hhl n LEU 78 N 0.00 0.00 -4.12 -1.96 7.94 -1.26 -5.14 117.00 112.46 3hhl n LEU 78 Ca 0.00 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.60 3hhl n LEU 78 Cb 0.00 0.09 -0.17 0.00 0.53 0.00 0.00 43.42 43.88 3hhl n LEU 78 CO 0.00 -0.09 -0.52 -0.63 -1.11 0.00 0.00 177.39 175.03 3hhl s ILE 79 N -1.25 1.79 0.00 1.96 1.01 -1.26 -5.06 121.20 118.38 3hhl s ILE 79 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.82 3hhl s ILE 79 Cb 0.00 -1.59 0.00 0.00 0.01 0.00 0.00 42.46 40.88 3hhl s ILE 79 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.05 3hhl n GLY 80 N 4.03 1.29 3.77 6.18 0.00 -1.26 -5.09 105.19 114.10 3hhl n GLY 80 Ca -0.20 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.44 3hhl n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hhl s PRO 81 N -1.14 4.45 0.51 1.61 0.04 -1.26 -4.98 135.00 134.23 3hhl s PRO 81 Ca 0.00 1.60 0.30 0.00 0.04 0.00 0.00 61.00 62.93 3hhl s PRO 81 Cb 0.00 -2.87 1.20 0.00 0.04 0.00 0.00 34.50 32.86 3hhl s PRO 81 CO 0.00 0.09 1.93 1.96 0.04 0.00 0.00 177.00 181.02 3hhl h GLN 82 N 3.20 0.00 0.00 4.56 1.08 -2.01 -2.53 115.11 119.41 3hhl h GLN 82 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 3hhl h GLN 82 Cb 1.21 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 3hhl h GLN 82 CO 0.65 0.09 0.00 -0.40 -0.95 0.00 0.00 178.83 178.22 3hhl n ASP 83 N -3.23 0.28 -4.66 1.46 5.75 -1.26 -4.53 116.55 110.36 3hhl n ASP 83 Ca 0.00 0.59 -0.41 0.00 -0.01 0.00 0.00 54.79 54.97 3hhl n ASP 83 Cb 0.35 -0.64 -0.05 0.00 -1.03 0.00 0.00 41.12 39.74 3hhl n ASP 83 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3hhl s GLU 84 N -3.19 4.24 -0.01 0.11 2.02 -0.96 -5.02 118.70 115.90 3hhl s GLU 84 Ca 0.03 0.77 -0.22 0.00 0.02 0.00 0.00 54.97 55.56 3hhl s GLU 84 Cb 0.07 -3.58 0.05 0.00 0.10 0.00 0.00 34.13 30.77 3hhl s GLU 84 CO 0.22 -0.27 0.49 -3.38 0.02 0.00 0.00 175.26 172.34 3hhl s HIS 85 N 2.00 -0.40 0.04 1.61 -3.43 -1.26 -4.95 115.29 108.90 3hhl s HIS 85 Ca 0.32 0.61 0.04 0.00 -0.80 0.00 0.00 55.06 55.24 3hhl s HIS 85 Cb -0.16 0.26 -0.02 0.00 -1.43 0.00 0.00 32.58 31.23 3hhl s HIS 85 CO 0.11 -0.53 -0.13 -1.58 -2.00 0.00 0.00 174.74 170.61 3hhl s TRP 86 N -1.58 1.14 -0.21 0.38 0.52 -1.26 -4.63 118.94 113.30 3hhl s TRP 86 Ca -0.10 -0.36 0.07 0.00 0.02 0.00 0.00 56.10 55.73 3hhl s TRP 86 Cb -0.02 -0.68 -0.21 0.00 -1.15 0.00 0.00 33.47 31.41 3hhl s TRP 86 CO 0.05 0.02 0.00 -0.25 0.02 0.00 0.00 176.95 176.79 3hhl n ASP 87 N 1.87 1.23 -4.10 2.95 8.00 0.11 -4.60 116.55 122.02 3hhl n ASP 87 Ca -0.18 -0.01 -0.26 0.00 0.71 0.00 0.00 54.79 55.04 3hhl n ASP 87 Cb 0.55 0.05 -0.16 0.00 -0.02 0.00 0.00 41.12 41.54 3hhl n ASP 87 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3hhl s HIS 88 N -2.52 1.74 -0.08 1.24 3.76 -0.81 -4.76 115.29 113.86 3hhl s HIS 88 Ca -0.23 -0.62 -0.02 0.00 -0.15 0.00 0.00 55.06 54.05 3hhl s HIS 88 Cb 0.08 -1.22 0.03 0.00 1.11 0.00 0.00 32.58 32.58 3hhl s HIS 88 CO 0.71 -0.27 0.02 0.08 -0.85 0.00 0.00 174.74 174.44 3hhl s VAL 89 N 0.40 0.27 0.22 -0.90 1.01 -1.25 -0.75 120.40 119.39 3hhl s VAL 89 Ca -0.12 0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 3hhl s VAL 89 Cb -0.15 -0.50 0.03 0.00 0.00 0.00 0.00 36.38 35.77 3hhl s VAL 89 CO 0.04 0.18 0.61 0.72 0.00 0.00 0.00 175.10 176.66 3hhl s PHE 90 N 2.01 -0.21 -0.13 5.22 -0.71 -0.98 -1.76 117.98 121.41 3hhl s PHE 90 Ca 0.04 -0.14 0.03 0.00 -1.04 0.00 0.00 56.93 55.82 3hhl s PHE 90 Cb -0.13 0.54 0.01 0.00 -1.21 0.00 0.00 43.02 42.23 3hhl s PHE 90 CO -0.05 -1.03 -0.22 0.42 -1.34 0.00 0.00 175.22 173.00 3hhl s ILE 91 N -3.87 2.07 -0.13 -4.49 1.01 0.57 -0.45 121.20 115.90 3hhl s ILE 91 Ca 0.09 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.72 3hhl s ILE 91 Cb -0.03 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3hhl s ILE 91 CO -0.01 0.55 0.00 0.00 0.00 0.00 0.00 174.94 175.48 3hhl s ALA 92 N 0.75 3.22 -0.09 9.38 0.00 -1.26 -1.10 121.76 132.66 3hhl s ALA 92 Ca -0.09 -0.80 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 3hhl s ALA 92 Cb -0.16 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 3hhl s ALA 92 CO -0.00 0.37 0.08 -2.00 0.00 0.00 0.00 175.76 174.21 3hhl s GLU 93 N -0.18 3.22 0.11 0.00 2.12 -1.26 -4.34 118.70 118.37 3hhl s GLU 93 Ca 0.05 -0.29 0.07 0.00 0.36 0.00 0.00 54.97 55.16 3hhl s GLU 93 Cb -0.13 -2.99 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 3hhl s GLU 93 CO 0.02 0.73 -0.18 0.71 -0.54 0.00 0.00 175.26 176.00 3hhl s TYR 94 N -1.01 1.61 -0.86 5.30 1.51 -0.63 -4.13 117.35 119.13 3hhl s TYR 94 Ca 0.16 -0.46 0.27 0.00 -1.01 0.00 0.00 57.07 56.03 3hhl s TYR 94 Cb -0.12 -0.86 0.98 0.00 -0.11 0.00 0.00 41.96 41.85 3hhl s TYR 94 CO 0.05 0.19 1.82 -0.35 -1.11 0.00 0.00 175.55 176.15 3hhl n PRO 95 N 0.86 0.13 -3.51 -1.71 -0.04 -1.26 -1.84 135.00 127.63 3hhl n PRO 95 Ca -0.18 0.10 -0.11 0.00 -0.04 0.00 0.00 63.50 63.27 3hhl n PRO 95 Cb 0.55 -1.65 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 3hhl n PRO 95 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hhl s SER 96 N -3.75 -0.49 0.29 3.54 1.04 -1.26 -3.59 113.70 109.48 3hhl s SER 96 Ca 0.12 -0.13 -0.02 0.00 0.48 0.00 0.00 55.95 56.40 3hhl s SER 96 Cb 0.16 0.61 0.42 0.00 0.10 0.00 0.00 66.02 67.31 3hhl s SER 96 CO 0.57 -1.03 1.91 0.58 0.98 0.00 0.00 173.24 176.26 3hhl h VAL 97 N 2.03 1.22 -0.21 5.02 2.07 -1.86 -2.77 116.25 121.75 3hhl h VAL 97 Ca -0.31 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 3hhl h VAL 97 Cb 1.30 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3hhl h VAL 97 CO 0.36 0.24 -0.08 0.00 0.02 0.00 0.00 177.57 178.12 3hhl h ALA 98 N 1.42 1.49 -0.55 1.67 0.00 -1.95 -1.21 119.26 120.14 3hhl h ALA 98 Ca 0.25 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3hhl h ALA 98 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3hhl h ALA 98 CO -0.04 0.36 -0.00 0.00 0.00 0.00 0.00 179.25 179.57 3hhl h ALA 99 N 1.62 0.73 -0.53 0.00 0.00 -1.82 -1.10 119.26 118.16 3hhl h ALA 99 Ca 0.07 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3hhl h ALA 99 Cb 0.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3hhl h ALA 99 CO 0.02 0.56 -0.03 0.35 0.00 0.00 0.00 179.25 180.15 3hhl h PHE 100 N 0.84 1.06 -0.57 0.00 3.57 -1.31 -2.67 116.94 117.86 3hhl h PHE 100 Ca 0.15 -0.19 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 3hhl h PHE 100 Cb 0.54 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 3hhl h PHE 100 CO 0.04 0.97 0.03 0.28 -2.23 0.00 0.00 178.31 177.40 3hhl h VAL 101 N 0.84 1.26 0.00 1.41 2.07 -1.06 -2.14 116.25 118.63 3hhl h VAL 101 Ca 0.15 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.61 3hhl h VAL 101 Cb 0.57 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 3hhl h VAL 101 CO 0.03 0.38 0.00 -0.62 0.02 0.00 0.00 177.57 177.38 3hhl n GLU 102 N -4.20 0.35 0.00 1.57 -0.58 -0.43 -1.32 120.64 116.02 3hhl n GLU 102 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3hhl n GLU 102 Cb 0.31 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.86 3hhl n GLU 102 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 3hhl n ILE 104 N 1.05 0.00 0.82 -3.67 -6.64 -0.81 -1.91 119.36 108.21 3hhl n ILE 104 Ca 0.00 0.00 0.12 0.00 -1.77 0.00 0.00 62.75 61.10 3hhl n ILE 104 Cb 0.18 0.00 0.15 0.00 -1.44 0.00 0.00 39.64 38.53 3hhl n ILE 104 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 3hhl n ARG 105 N 0.00 0.12 -1.84 6.28 1.74 -0.44 -4.62 116.66 117.90 3hhl n ARG 105 Ca 0.00 0.02 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 3hhl n ARG 105 Cb 0.00 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 29.85 3hhl n ARG 105 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hhl s ASP 106 N -3.44 6.51 0.26 0.55 2.15 -0.80 -4.86 116.67 117.04 3hhl s ASP 106 Ca 0.08 2.68 -0.02 0.00 0.43 0.00 0.00 52.55 55.72 3hhl s ASP 106 Cb 0.16 -2.58 0.44 0.00 -0.30 0.00 0.00 42.92 40.64 3hhl s ASP 106 CO 0.74 -0.91 1.83 1.55 -0.17 0.00 0.00 175.17 178.21 3hhl h PRO 107 N 7.45 0.89 -0.87 4.34 0.13 -1.92 0.26 132.00 142.28 3hhl h PRO 107 Ca -0.43 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 3hhl h PRO 107 Cb 1.21 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 32.09 3hhl h PRO 107 CO 0.93 0.59 0.47 0.28 -0.23 0.00 0.00 178.00 180.04 3hhl h VAL 108 N 0.92 1.25 -0.31 1.56 2.07 -1.96 -2.55 116.25 117.23 3hhl h VAL 108 Ca 0.43 -0.65 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 3hhl h VAL 108 Cb 0.37 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3hhl h VAL 108 CO -0.24 0.29 -0.14 0.22 0.02 0.00 0.00 177.57 177.72 3hhl h TYR 109 N 1.22 0.73 -0.21 1.57 3.20 -1.37 -1.88 116.97 120.24 3hhl h TYR 109 Ca 0.31 -0.18 0.06 0.00 3.14 0.00 0.00 58.73 62.06 3hhl h TYR 109 Cb 0.04 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3hhl h TYR 109 CO 0.01 0.86 0.17 0.00 -1.64 0.00 0.00 178.16 177.56 3hhl h ARG 110 N 0.39 0.00 0.00 1.82 3.08 -0.40 -0.29 114.38 118.99 3hhl h ARG 110 Ca 0.07 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 3hhl h ARG 110 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3hhl h ARG 110 CO 0.04 0.00 -0.18 0.93 -1.07 0.00 0.00 179.97 179.70 3hhl h GLU 111 N 0.00 0.12 -0.85 0.04 4.39 -1.29 -3.35 114.58 113.65 3hhl h GLU 111 Ca 0.10 -0.13 0.07 0.00 0.34 0.00 0.00 59.36 59.74 3hhl h GLU 111 Cb 0.43 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.06 3hhl h GLU 111 CO -0.00 0.89 0.55 0.00 -1.16 0.00 0.00 179.01 179.29 3hhl h ALA 112 N 0.23 1.59 0.00 3.43 0.00 -0.41 -2.01 119.26 122.10 3hhl h ALA 112 Ca -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hhl h ALA 112 Cb 0.95 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hhl h ALA 112 CO 0.03 0.27 -0.12 -0.24 0.00 0.00 0.00 179.25 179.20 3hhl h VAL 113 N 0.92 0.39 -0.82 0.00 3.04 -1.24 -0.53 116.25 118.00 3hhl h VAL 113 Ca 0.37 -0.67 0.17 0.00 -1.01 0.00 0.00 66.70 65.56 3hhl h VAL 113 Cb 0.25 1.48 -0.06 0.00 -2.01 0.00 0.00 31.29 30.96 3hhl h VAL 113 CO -0.14 0.12 0.55 0.11 -1.01 0.00 0.00 177.57 177.20 3hhl h LYS 114 N 0.00 0.41 -0.45 4.17 1.57 -1.48 0.18 116.57 120.96 3hhl h LYS 114 Ca -0.00 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3hhl h LYS 114 Cb 0.48 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3hhl h LYS 114 CO 0.02 0.27 0.12 0.45 -0.57 0.00 0.00 179.45 179.73 3hhl h HIS 115 N 0.42 0.75 -0.92 -1.35 3.86 -1.23 -2.43 115.15 114.25 3hhl h HIS 115 Ca 0.41 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.55 3hhl h HIS 115 Cb 0.99 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 29.20 3hhl h HIS 115 CO -0.00 0.69 0.61 -0.09 0.86 0.00 0.00 177.93 180.00 3hhl h ARG 116 N 0.60 1.21 -0.67 2.45 2.43 -1.08 -0.47 114.38 118.84 3hhl h ARG 116 Ca 0.14 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3hhl h ARG 116 Cb 0.31 -0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3hhl h ARG 116 CO 0.00 0.80 0.35 1.96 -1.51 0.00 0.00 179.97 181.57 3hhl h GLN 117 N 1.24 0.93 0.00 0.20 4.20 -0.99 -0.68 115.11 120.02 3hhl h GLN 117 Ca 0.34 -0.11 -0.09 0.00 0.06 0.00 0.00 58.65 58.85 3hhl h GLN 117 Cb -0.14 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.45 3hhl h GLN 117 CO -0.08 0.70 -0.43 0.00 -0.67 0.00 0.00 178.83 178.35 3hhl h ALA 118 N 1.45 0.88 0.05 3.87 0.00 -0.87 -3.35 119.26 121.29 3hhl h ALA 118 Ca 0.24 -0.39 -0.31 0.00 0.00 0.00 0.00 54.91 54.45 3hhl h ALA 118 Cb 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hhl h ALA 118 CO -0.04 0.54 -1.72 0.00 0.00 0.00 0.00 179.25 178.03 3hhl h ALA 119 N 1.57 0.59 -2.87 0.00 0.00 0.34 -0.15 119.26 118.75 3hhl h ALA 119 Ca -0.00 -1.37 -0.59 0.00 0.00 0.00 0.00 54.91 52.95 3hhl h ALA 119 Cb 1.06 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 19.24 3hhl h ALA 119 CO 0.06 1.43 -0.15 0.08 0.00 0.00 0.00 179.25 180.67 3hhl s VAL 120 N -2.60 5.18 -0.13 0.00 1.01 -0.62 -0.66 120.40 122.60 3hhl s VAL 120 Ca -0.10 0.83 -0.18 0.00 0.00 0.00 0.00 61.98 62.53 3hhl s VAL 120 Cb 0.08 -3.77 -0.26 0.00 0.00 0.00 0.00 36.38 32.42 3hhl s VAL 120 CO 0.81 0.27 0.52 -0.08 0.00 0.00 0.00 175.10 176.62 3hhl h GLU 121 N 7.11 0.18 -2.95 2.72 4.81 -0.97 -3.44 114.58 122.04 3hhl h GLU 121 Ca -0.38 -0.30 -0.06 0.00 -0.13 0.00 0.00 59.36 58.49 3hhl h GLU 121 Cb 1.17 0.11 -0.15 0.00 0.63 0.00 0.00 28.75 30.50 3hhl h GLU 121 CO 0.74 1.14 -0.00 0.34 -0.73 0.00 0.00 179.01 180.50 3hhl s ASP 122 N -6.92 -0.38 0.12 1.04 2.15 -1.03 -3.34 116.67 108.32 3hhl s ASP 122 Ca -0.21 0.04 -0.25 0.00 0.43 0.00 0.00 52.55 52.56 3hhl s ASP 122 Cb 0.04 0.48 0.07 0.00 -0.30 0.00 0.00 42.92 43.21 3hhl s ASP 122 CO 0.73 -0.74 0.78 -0.94 -0.17 0.00 0.00 175.17 174.83 3hhl s SER 123 N -2.16 -0.38 0.01 -0.34 1.04 -0.64 -0.33 113.70 110.90 3hhl s SER 123 Ca -0.04 -0.18 0.04 0.00 0.48 0.00 0.00 55.95 56.26 3hhl s SER 123 Cb -0.00 0.53 -0.01 0.00 0.10 0.00 0.00 66.02 66.63 3hhl s SER 123 CO -0.04 -0.90 -0.14 -0.13 0.98 0.00 0.00 173.24 173.01 3hhl s ARG 124 N -3.48 1.03 -0.25 4.02 1.81 0.38 -4.55 118.95 117.92 3hhl s ARG 124 Ca 0.06 -0.57 -0.00 0.00 -1.72 0.00 0.00 55.73 53.50 3hhl s ARG 124 Cb -0.02 -1.01 0.07 0.00 -0.45 0.00 0.00 34.95 33.54 3hhl s ARG 124 CO -0.06 0.27 0.01 -1.17 -0.68 0.00 0.00 175.30 173.67 3hhl s LEU 125 N -0.58 2.24 -0.19 2.53 2.96 -1.26 -0.75 118.68 123.63 3hhl s LEU 125 Ca 0.04 -1.23 -0.05 0.00 -0.22 0.00 0.00 54.13 52.66 3hhl s LEU 125 Cb -0.06 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 3hhl s LEU 125 CO 0.00 -0.30 0.01 -0.63 -1.32 0.00 0.00 176.35 174.10 3hhl s ILE 126 N 1.54 4.07 -0.17 6.68 1.01 0.47 -4.95 121.20 129.87 3hhl s ILE 126 Ca -0.00 -0.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.19 3hhl s ILE 126 Cb -0.18 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3hhl s ILE 126 CO -0.11 0.44 0.48 -0.60 0.00 0.00 0.00 174.94 175.15 3hhl s ARG 127 N 0.84 4.25 0.07 2.79 3.52 -1.26 -0.99 118.95 128.16 3hhl s ARG 127 Ca 0.01 0.38 0.05 0.00 -0.13 0.00 0.00 55.73 56.05 3hhl s ARG 127 Cb -0.14 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.71 3hhl s ARG 127 CO 0.02 -0.00 -0.15 -0.51 -0.81 0.00 0.00 175.30 173.85 3hhl s LEU 128 N 1.17 2.27 -0.22 -0.88 1.02 0.75 -5.01 118.68 117.78 3hhl s LEU 128 Ca 0.24 -0.61 -0.20 0.00 0.02 0.00 0.00 54.13 53.58 3hhl s LEU 128 Cb -0.15 -0.56 -0.02 0.00 0.02 0.00 0.00 46.19 45.48 3hhl s LEU 128 CO 0.09 -0.05 0.61 -0.75 0.02 0.00 0.00 176.35 176.27 3hhl s LYS 129 N -1.71 4.16 0.36 1.70 2.20 -1.26 -1.01 119.74 124.19 3hhl s LYS 129 Ca -0.01 0.55 -0.28 0.00 -0.36 0.00 0.00 55.97 55.87 3hhl s LYS 129 Cb -0.10 -3.61 -0.12 0.00 -1.51 0.00 0.00 37.83 32.50 3hhl s LYS 129 CO 0.02 -0.29 1.42 -2.30 -0.36 0.00 0.00 175.35 173.84 3hhl n PRO 130 N 5.27 2.48 -4.33 4.03 -0.02 -1.26 -4.97 135.00 136.20 3hhl n PRO 130 Ca -0.02 0.87 -0.28 0.00 -2.02 0.00 0.00 63.50 62.05 3hhl n PRO 130 Cb 0.50 -2.55 -0.11 0.00 -0.02 0.00 0.00 33.50 31.31 3hhl n PRO 130 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hhl s LEU 131 N -1.67 2.68 -0.08 2.45 1.43 -1.26 -5.08 118.68 117.14 3hhl s LEU 131 Ca 0.54 -0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 3hhl s LEU 131 Cb -0.51 -1.47 -0.06 0.00 0.03 0.00 0.00 46.19 44.19 3hhl s LEU 131 CO 0.63 0.15 1.83 -0.54 0.23 0.00 0.00 176.35 178.65 3hhl s LYS 132 N -2.43 3.95 0.00 1.70 3.01 -1.26 -4.86 119.74 119.84 3hhl s LYS 132 Ca 0.20 2.20 -0.21 0.00 -1.01 0.00 0.00 55.97 57.16 3hhl s LYS 132 Cb -0.09 -4.11 -0.25 0.00 -1.01 0.00 0.00 37.83 32.36 3hhl s LYS 132 CO 0.11 -1.15 1.36 -0.35 0.51 0.00 0.00 175.35 175.84 3hhl n PRO 133 N 7.60 0.00 0.00 -1.68 -0.04 -1.26 -5.33 135.00 134.29 3hhl n PRO 133 Ca 0.20 -0.81 0.00 0.00 -0.04 0.00 0.00 63.50 62.85 3hhl n PRO 133 Cb 0.43 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 3hhl n PRO 133 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87