#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 0.63 3.65 1.09 0.00 -1.16 -5.07 105.19 104.33 3hhl n GLY 3 Ca 0.00 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.73 3.32 -0.04 1.61 0.09 -1.26 -4.88 115.29 112.40 3hhl s HIS 4 Ca 0.39 0.33 -0.01 0.00 -0.00 0.00 0.00 55.06 55.77 3hhl s HIS 4 Cb -0.02 -2.37 -0.02 0.00 -0.00 0.00 0.00 32.58 30.17 3hhl s HIS 4 CO 0.26 0.00 -0.04 -0.89 -0.00 0.00 0.00 174.74 174.07 3hhl n ILE 5 N 4.43 0.20 -4.46 0.60 5.41 -1.26 -1.46 119.36 122.82 3hhl n ILE 5 Ca -0.13 -0.07 -0.24 0.00 1.00 0.00 0.00 62.75 63.31 3hhl n ILE 5 Cb 0.52 -1.02 -0.10 0.00 -0.71 0.00 0.00 39.64 38.32 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 -4.77 3.59 0.42 4.38 1.01 -1.26 -4.97 116.67 115.07 3hhl s ASP 6 Ca -0.05 -1.00 -0.22 0.00 0.71 0.00 0.00 52.55 51.99 3hhl s ASP 6 Cb 0.02 -0.30 -0.10 0.00 1.01 0.00 0.00 42.92 43.54 3hhl s ASP 6 CO 0.07 0.05 0.98 -2.16 0.21 0.00 0.00 175.17 174.32 3hhl s PRO 7 N -3.41 4.19 0.54 8.23 0.04 -1.26 -5.06 135.00 138.27 3hhl s PRO 7 Ca 0.29 1.24 -0.09 0.00 0.04 0.00 0.00 61.00 62.49 3hhl s PRO 7 Cb -0.05 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.15 3hhl s PRO 7 CO 0.14 -0.08 0.90 0.95 0.04 0.00 0.00 177.00 178.96 3hhl s THR 8 N -2.00 4.79 0.38 1.26 -4.23 -1.26 -4.94 115.64 109.65 3hhl s THR 8 Ca 0.61 0.58 0.08 0.00 -1.18 0.00 0.00 61.69 61.79 3hhl s THR 8 Cb -0.13 -3.85 0.17 0.00 1.34 0.00 0.00 72.50 70.02 3hhl s THR 8 CO 0.18 -0.95 1.92 0.07 -0.54 0.00 0.00 174.62 175.30 3hhl h LYS 9 N 0.09 0.31 -0.34 3.99 2.10 -1.99 -1.82 116.57 118.90 3hhl h LYS 9 Ca -0.46 -0.06 -0.17 0.00 -2.00 0.00 0.00 60.65 57.96 3hhl h LYS 9 Cb 1.20 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3hhl h LYS 9 CO 0.62 0.40 -0.46 0.93 -2.00 0.00 0.00 179.45 178.94 3hhl h GLU 10 N 0.30 0.91 -0.07 0.07 3.07 -2.00 -2.26 114.58 114.61 3hhl h GLU 10 Ca 0.06 -0.52 -0.23 0.00 -0.50 0.00 0.00 59.36 58.18 3hhl h GLU 10 Cb 0.32 0.04 0.01 0.00 -0.84 0.00 0.00 28.75 28.28 3hhl h GLU 10 CO 0.02 1.17 -0.87 0.28 -1.40 0.00 0.00 179.01 178.20 3hhl h VAL 11 N 0.72 1.32 -0.30 3.13 2.07 -1.91 -2.66 116.25 118.63 3hhl h VAL 11 Ca 0.04 -2.17 -0.01 0.00 0.82 0.00 0.00 66.70 65.39 3hhl h VAL 11 Cb 1.06 2.19 -0.02 0.00 -1.52 0.00 0.00 31.29 33.01 3hhl h VAL 11 CO 0.11 0.67 0.15 0.15 0.02 0.00 0.00 177.57 178.67 3hhl h PHE 12 N 0.39 0.39 -0.40 1.57 3.57 -1.31 -1.37 116.94 119.78 3hhl h PHE 12 Ca -0.07 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.41 3hhl h PHE 12 Cb 1.50 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 40.09 3hhl h PHE 12 CO 0.08 0.28 0.17 0.00 -2.23 0.00 0.00 178.31 176.61 3hhl h ALA 13 N 1.77 0.53 -0.72 2.41 0.00 -1.21 -1.65 119.26 120.39 3hhl h ALA 13 Ca 0.11 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.92 3hhl h ALA 13 Cb 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3hhl h ALA 13 CO -0.02 0.12 0.47 1.96 0.00 0.00 0.00 179.25 181.79 3hhl h GLN 14 N 0.51 0.85 0.01 0.00 4.20 -1.03 0.18 115.11 119.84 3hhl h GLN 14 Ca 0.14 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3hhl h GLN 14 Cb 0.17 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3hhl h GLN 14 CO -0.01 0.56 -0.01 0.35 -0.67 0.00 0.00 178.83 179.06 3hhl h PHE 15 N 0.88 -0.02 -0.33 2.96 3.57 -0.77 -2.44 116.94 120.78 3hhl h PHE 15 Ca 0.29 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.73 3hhl h PHE 15 Cb 0.05 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 3hhl h PHE 15 CO -0.00 0.13 -0.05 0.00 -2.23 0.00 0.00 178.31 176.17 3hhl h ARG 16 N -0.16 0.54 -0.89 1.11 3.08 -0.95 -2.98 114.38 114.12 3hhl h ARG 16 Ca -0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3hhl h ARG 16 Cb 0.16 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 3hhl h ARG 16 CO 0.00 0.60 0.57 0.00 -1.07 0.00 0.00 179.97 180.07 3hhl h ALA 17 N 1.45 1.32 -1.70 0.04 0.00 -0.32 -3.29 119.26 116.75 3hhl h ALA 17 Ca 0.10 -0.08 -0.73 0.00 0.00 0.00 0.00 54.91 54.21 3hhl h ALA 17 Cb 0.40 -0.36 -0.17 0.00 0.00 0.00 0.00 17.79 17.65 3hhl h ALA 17 CO 0.02 0.61 1.29 1.21 0.00 0.00 0.00 179.25 182.38 3hhl s ASN 18 N -6.24 7.00 -0.41 0.00 2.47 -0.95 -4.81 114.94 112.01 3hhl s ASN 18 Ca -0.12 -2.84 0.05 0.00 0.42 0.00 0.00 52.86 50.37 3hhl s ASN 18 Cb 0.18 -2.40 0.58 0.00 -1.45 0.00 0.00 41.25 38.15 3hhl s ASN 18 CO 0.81 -0.80 1.73 -0.90 -3.72 0.00 0.00 177.10 174.22 3hhl n ASP 19 N 5.84 3.76 -4.68 -4.21 5.75 -1.24 -4.96 116.55 116.81 3hhl n ASP 19 Ca 0.35 -3.71 -0.41 0.00 -0.01 0.00 0.00 54.79 51.01 3hhl n ASP 19 Cb 0.44 -0.76 0.01 0.00 -1.03 0.00 0.00 41.12 39.78 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 -1.10 1.82 -1.99 0.11 0.00 -1.26 -4.90 116.66 109.34 3hhl n ARG 20 Ca 0.50 0.65 -0.41 0.00 -0.00 0.00 0.00 57.85 58.59 3hhl n ARG 20 Cb 1.30 -2.30 -0.01 0.00 -0.00 0.00 0.00 32.46 31.44 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 -2.13 4.26 0.00 2.89 2.12 -1.26 -4.77 118.70 119.81 3hhl s GLU 21 Ca 0.61 2.35 0.00 0.00 0.36 0.00 0.00 54.97 58.29 3hhl s GLU 21 Cb -0.53 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 30.83 3hhl s GLU 21 CO 0.58 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 175.39 3hhl n GLY 22 N 0.72 3.88 3.64 -1.50 0.00 -1.26 -5.10 105.19 105.57 3hhl n GLY 22 Ca 0.01 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 3hhl n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hhl s PRO 23 N -3.16 0.65 -0.02 1.61 0.04 -1.24 -4.35 135.00 128.52 3hhl s PRO 23 Ca 0.00 1.29 0.06 0.00 0.04 0.00 0.00 61.00 62.39 3hhl s PRO 23 Cb 0.00 -1.70 -0.01 0.00 0.04 0.00 0.00 34.50 32.82 3hhl s PRO 23 CO 0.00 -2.80 -0.20 0.96 0.04 0.00 0.00 177.00 175.00 3hhl s ILE 24 N -2.64 1.60 0.03 0.56 -4.36 -0.59 -4.54 121.20 111.25 3hhl s ILE 24 Ca 0.66 -0.85 0.00 0.00 -0.26 0.00 0.00 60.65 60.21 3hhl s ILE 24 Cb -0.22 -1.34 0.00 0.00 1.25 0.00 0.00 42.46 42.15 3hhl s ILE 24 CO 0.59 0.45 0.02 1.41 0.24 0.00 0.00 174.94 177.66 3hhl n HIS 25 N 2.73 -1.62 -3.37 1.37 8.25 -0.21 -1.52 115.22 120.84 3hhl n HIS 25 Ca -0.16 -0.12 0.02 0.00 -0.26 0.00 0.00 57.72 57.20 3hhl n HIS 25 Cb 0.53 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.59 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 -0.88 -0.23 2.41 2.96 -0.12 0.39 118.68 123.21 3hhl s LEU 27 Ca 0.02 0.94 -0.08 0.00 -0.22 0.00 0.00 54.13 54.79 3hhl s LEU 27 Cb -0.00 1.90 -0.04 0.00 0.50 0.00 0.00 46.19 48.55 3hhl s LEU 27 CO 0.01 -0.17 0.10 0.20 -1.32 0.00 0.00 176.35 175.17 3hhl s ASN 28 N 2.74 5.58 -0.22 3.68 0.01 0.77 -0.92 114.94 126.57 3hhl s ASN 28 Ca 0.02 -0.03 -0.02 0.00 -0.71 0.00 0.00 52.86 52.12 3hhl s ASN 28 Cb -0.10 -1.99 0.01 0.00 0.41 0.00 0.00 41.25 39.58 3hhl s ASN 28 CO -0.18 0.05 -0.08 -0.76 -1.51 0.00 0.00 177.10 174.62 3hhl s LEU 29 N 1.12 2.85 -0.12 0.60 1.43 -0.31 -2.26 118.68 121.99 3hhl s LEU 29 Ca 0.05 -0.65 0.01 0.00 -1.03 0.00 0.00 54.13 52.51 3hhl s LEU 29 Cb -0.14 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.45 3hhl s LEU 29 CO 0.04 -0.06 -0.13 -0.69 0.23 0.00 0.00 176.35 175.74 3hhl s VAL 30 N 1.37 1.38 -0.22 -1.59 1.01 -0.06 -0.47 120.40 121.83 3hhl s VAL 30 Ca 0.03 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 3hhl s VAL 30 Cb -0.15 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3hhl s VAL 30 CO -0.06 0.42 0.02 -0.60 0.00 0.00 0.00 175.10 174.88 3hhl s ARG 31 N 1.28 3.60 0.11 2.72 3.52 0.10 0.02 118.95 130.30 3hhl s ARG 31 Ca -0.01 -0.52 -0.07 0.00 -0.13 0.00 0.00 55.73 55.00 3hhl s ARG 31 Cb -0.14 -3.15 -0.06 0.00 -1.56 0.00 0.00 34.95 30.05 3hhl s ARG 31 CO -0.05 -0.07 0.38 -0.51 -0.81 0.00 0.00 175.30 174.23 3hhl s LEU 32 N 1.24 4.31 0.44 -0.88 1.43 -1.26 -0.35 118.68 123.61 3hhl s LEU 32 Ca 0.04 0.68 -0.24 0.00 -1.03 0.00 0.00 54.13 53.58 3hhl s LEU 32 Cb -0.15 -3.13 -0.08 0.00 0.03 0.00 0.00 46.19 42.87 3hhl s LEU 32 CO 0.02 0.12 1.20 -0.13 0.23 0.00 0.00 176.35 177.78 3hhl s ARG 33 N -2.27 3.82 0.10 1.70 0.52 0.20 -4.63 118.95 118.40 3hhl s ARG 33 Ca 0.37 1.87 -0.28 0.00 -0.52 0.00 0.00 55.73 57.17 3hhl s ARG 33 Cb -0.13 -2.52 -0.11 0.00 0.52 0.00 0.00 34.95 32.71 3hhl s ARG 33 CO 0.21 -0.52 1.64 -1.35 0.02 0.00 0.00 175.30 175.30 3hhl h PRO 34 N 2.25 -0.51 -5.09 3.54 0.11 -1.97 -2.57 132.00 127.76 3hhl h PRO 34 Ca -0.49 0.03 -0.65 0.00 0.11 0.00 0.00 66.00 65.00 3hhl h PRO 34 Cb 1.25 0.12 -0.24 0.00 0.11 0.00 0.00 31.00 32.23 3hhl h PRO 34 CO 0.61 -0.34 -0.67 -0.98 -0.21 0.00 0.00 178.00 176.41 3hhl s ARG 35 N -6.07 3.57 0.24 1.05 1.04 -1.26 -2.07 118.95 115.44 3hhl s ARG 35 Ca -0.16 -0.54 -0.31 0.00 -1.04 0.00 0.00 55.73 53.68 3hhl s ARG 35 Cb 0.07 -3.07 -0.11 0.00 -2.04 0.00 0.00 34.95 29.79 3hhl s ARG 35 CO 0.64 -0.03 1.64 0.00 -0.04 0.00 0.00 175.30 177.51 3hhl s ALA 36 N 1.11 3.83 -1.11 7.88 0.00 -0.65 -4.72 121.76 128.11 3hhl s ALA 36 Ca 0.02 1.54 -0.07 0.00 0.00 0.00 0.00 51.96 53.45 3hhl s ALA 36 Cb -0.14 -3.66 0.29 0.00 0.00 0.00 0.00 23.12 19.60 3hhl s ALA 36 CO 0.01 -0.92 1.33 0.00 0.00 0.00 0.00 175.76 176.18 3hhl n ALA 37 N 3.23 4.71 -2.19 0.00 0.00 -0.30 -4.72 120.51 121.24 3hhl n ALA 37 Ca 0.12 -4.71 -0.31 0.00 0.00 0.00 0.00 53.44 48.54 3hhl n ALA 37 Cb 0.37 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.34 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 -1.87 3.45 0.25 0.00 1.51 -1.26 -4.38 117.35 115.04 3hhl s TYR 38 Ca 0.32 1.06 -0.05 0.00 -1.01 0.00 0.00 57.07 57.39 3hhl s TYR 38 Cb -0.02 -2.44 0.47 0.00 -0.11 0.00 0.00 41.96 39.85 3hhl s TYR 38 CO 0.01 -0.04 1.67 -1.35 -1.11 0.00 0.00 175.55 174.74 3hhl h PRO 39 N 1.53 0.23 -0.96 -1.71 0.11 -1.98 -2.04 132.00 127.18 3hhl h PRO 39 Ca -0.47 -0.01 0.30 0.00 0.11 0.00 0.00 66.00 65.92 3hhl h PRO 39 Cb 1.18 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.09 3hhl h PRO 39 CO 0.64 0.15 0.40 -0.44 -0.21 0.00 0.00 178.00 178.54 3hhl h ASP 40 N 0.23 0.22 0.00 -2.05 5.19 -2.01 -3.46 116.42 114.55 3hhl h ASP 40 Ca 0.42 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 57.04 3hhl h ASP 40 Cb 0.73 0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.47 3hhl h ASP 40 CO -0.54 -0.19 0.00 0.61 -3.12 0.00 0.00 179.24 175.99 3hhl n GLY 41 N -1.34 1.22 3.60 2.75 0.00 -0.77 -5.03 105.19 105.63 3hhl n GLY 41 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 1.36 -3.13 1.61 1.85 -1.26 -4.92 116.66 110.17 3hhl n ARG 42 Ca 0.00 0.49 -0.42 0.00 -1.00 0.00 0.00 57.85 56.92 3hhl n ARG 42 Cb 0.00 -2.00 -0.07 0.00 -1.05 0.00 0.00 32.46 29.34 3hhl n ARG 42 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 3hhl s GLU 43 N -1.90 3.59 0.07 2.89 0.41 -1.26 -4.70 118.70 117.80 3hhl s GLU 43 Ca 0.62 -0.06 -0.10 0.00 -0.41 0.00 0.00 54.97 55.02 3hhl s GLU 43 Cb -0.59 -3.84 0.00 0.00 -1.78 0.00 0.00 34.13 27.93 3hhl s GLU 43 CO 0.58 -0.77 0.21 0.99 -0.49 0.00 0.00 175.26 175.78 3hhl s THR 44 N 2.68 0.12 0.68 3.63 2.01 -1.26 -5.07 115.64 118.42 3hhl s THR 44 Ca 0.23 -1.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 3hhl s THR 44 Cb -0.15 -1.17 0.00 0.00 0.01 0.00 0.00 72.50 71.20 3hhl s THR 44 CO 0.15 -0.56 1.07 0.42 -0.69 0.00 0.00 174.62 175.01 3hhl s THR 45 N -3.36 3.72 0.26 -0.82 -4.23 -1.26 -1.63 115.64 108.31 3hhl s THR 45 Ca 0.01 0.66 -0.02 0.00 -1.18 0.00 0.00 61.69 61.16 3hhl s THR 45 Cb 0.02 -3.26 0.23 0.00 1.34 0.00 0.00 72.50 70.84 3hhl s THR 45 CO -0.08 -0.63 1.76 1.23 -0.54 0.00 0.00 174.62 176.35 3hhl h GLY 46 N -0.36 1.32 0.98 3.99 0.00 -0.98 -1.93 103.07 106.08 3hhl h GLY 46 Ca -0.45 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 46.66 3hhl h GLY 46 CO 0.55 -0.05 0.46 0.00 0.00 0.00 0.00 176.54 177.50 3hhl h ALA 47 N 1.55 0.89 -0.66 3.60 0.00 -1.86 0.86 119.26 123.64 3hhl h ALA 47 Ca 0.45 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.26 3hhl h ALA 47 Cb 0.64 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hhl h ALA 47 CO -0.37 0.29 0.19 0.93 0.00 0.00 0.00 179.25 180.29 3hhl h GLU 48 N 0.93 1.04 -0.40 0.00 5.08 -1.78 0.13 114.58 119.58 3hhl h GLU 48 Ca 0.26 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 58.26 3hhl h GLU 48 Cb -0.08 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3hhl h GLU 48 CO -0.07 0.92 -0.27 0.00 -1.00 0.00 0.00 179.01 178.59 3hhl h ALA 49 N 1.08 0.78 -0.58 3.43 0.00 -0.75 -1.87 119.26 121.34 3hhl h ALA 49 Ca 0.21 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3hhl h ALA 49 Cb 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3hhl h ALA 49 CO -0.00 0.65 0.01 -0.92 0.00 0.00 0.00 179.25 178.99 3hhl h TYR 50 N 0.72 1.10 -0.36 0.00 5.03 -0.61 -1.58 116.97 121.27 3hhl h TYR 50 Ca 0.09 -0.19 0.07 0.00 2.58 0.00 0.00 58.73 61.28 3hhl h TYR 50 Cb 0.81 -0.29 -0.06 0.00 1.55 0.00 0.00 36.73 38.74 3hhl h TYR 50 CO 0.05 0.99 -0.05 0.00 -1.32 0.00 0.00 178.16 177.82 3hhl h ALA 51 N 0.97 0.28 -0.72 1.82 0.00 -0.71 -0.48 119.26 120.42 3hhl h ALA 51 Ca 0.16 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3hhl h ALA 51 Cb 0.54 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3hhl h ALA 51 CO 0.03 -0.43 0.40 0.00 0.00 0.00 0.00 179.25 179.24 3hhl h ALA 52 N 1.34 1.35 0.42 0.00 0.00 -1.02 0.10 119.26 121.45 3hhl h ALA 52 Ca 0.17 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hhl h ALA 52 Cb 0.26 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hhl h ALA 52 CO -0.33 0.54 -0.25 -0.92 0.00 0.00 0.00 179.25 178.28 3hhl h TYR 53 N 1.00 -0.66 -0.51 0.00 3.20 -0.29 -1.00 116.97 118.72 3hhl h TYR 53 Ca 0.26 -0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.19 3hhl h TYR 53 Cb 0.01 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 38.46 3hhl h TYR 53 CO 0.01 -0.39 0.16 0.78 -1.64 0.00 0.00 178.16 177.08 3hhl h GLY 54 N -0.64 0.66 1.38 1.82 0.00 -0.73 0.63 103.07 106.20 3hhl h GLY 54 Ca -0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 3hhl h GLY 54 CO 0.05 -0.01 -0.06 -0.09 0.00 0.00 0.00 176.54 176.43 3hhl h ARG 55 N 0.33 0.75 0.00 4.80 2.43 -0.51 -0.28 114.38 121.90 3hhl h ARG 55 Ca 0.25 -0.22 -0.10 0.00 -0.81 0.00 0.00 59.98 59.10 3hhl h ARG 55 Cb 0.29 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3hhl h ARG 55 CO -0.27 0.80 -1.05 -0.44 -1.51 0.00 0.00 179.97 177.50 3hhl h ASP 56 N 0.69 0.00 1.01 -3.80 3.32 -0.94 -3.35 116.42 113.34 3hhl h ASP 56 Ca 0.13 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3hhl h ASP 56 Cb 0.51 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3hhl h ASP 56 CO 0.03 0.35 -1.01 0.77 -1.72 0.00 0.00 179.24 177.66 3hhl h SER 57 N 0.00 0.00 -0.41 6.45 4.64 -0.72 -3.41 113.55 120.11 3hhl h SER 57 Ca -0.08 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.32 3hhl h SER 57 Cb 1.34 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.36 3hhl h SER 57 CO 0.03 0.09 -0.02 1.23 -0.87 0.00 0.00 176.83 177.29 3hhl h GLY 58 N 3.95 0.38 1.85 -0.77 0.00 -1.19 -2.01 103.07 105.29 3hhl h GLY 58 Ca -0.02 0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3hhl h GLY 58 CO 0.01 -0.11 -0.02 -2.55 0.00 0.00 0.00 176.54 173.87 3hhl h PRO 59 N 0.08 0.20 -0.07 4.80 0.11 -1.81 -0.63 132.00 134.68 3hhl h PRO 59 Ca 0.20 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.13 3hhl h PRO 59 Cb 0.29 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.37 3hhl h PRO 59 CO -0.35 0.24 -0.55 0.28 -0.21 0.00 0.00 178.00 177.40 3hhl h VAL 60 N 0.20 1.38 -0.43 3.15 2.07 -1.65 -1.98 116.25 118.99 3hhl h VAL 60 Ca 0.05 -1.92 0.00 0.00 0.82 0.00 0.00 66.70 65.65 3hhl h VAL 60 Cb 0.17 2.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 3hhl h VAL 60 CO 0.00 0.57 0.27 -1.28 0.02 0.00 0.00 177.57 177.16 3hhl h SER 61 N 0.06 0.50 -0.65 0.57 0.87 -0.95 -2.68 113.55 111.27 3hhl h SER 61 Ca -0.05 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.43 3hhl h SER 61 Cb 1.22 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 63.02 3hhl h SER 61 CO 0.11 0.38 0.23 -0.08 -0.53 0.00 0.00 176.83 176.94 3hhl h GLU 62 N 0.57 1.00 0.00 2.24 4.81 -1.09 0.87 114.58 122.98 3hhl h GLU 62 Ca 0.16 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3hhl h GLU 62 Cb -0.04 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 3hhl h GLU 62 CO -0.03 0.86 -0.19 -0.09 -0.73 0.00 0.00 179.01 178.83 3hhl h ARG 63 N 0.94 0.00 -0.62 1.92 2.43 -1.13 -2.74 114.38 115.18 3hhl h ARG 63 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3hhl h ARG 63 Cb 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3hhl h ARG 63 CO -0.01 0.19 0.00 1.28 -1.51 0.00 0.00 179.97 179.91 3hhl n LEU 64 N -4.31 4.04 0.00 3.80 4.77 -0.94 -4.96 117.00 119.40 3hhl n LEU 64 Ca -0.02 -2.19 0.00 0.00 -0.03 0.00 0.00 56.01 53.77 3hhl n LEU 64 Cb 0.25 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3hhl n LEU 64 CO 0.36 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 3hhl n GLY 65 N 1.19 0.38 3.50 -0.72 0.00 -0.96 -4.70 105.19 103.89 3hhl n GLY 65 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.41 1.52 -0.28 -0.02 0.00 0.26 -4.45 107.32 102.94 3hhl s GLY 66 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 44.72 44.19 3hhl s GLY 66 CO 0.00 0.33 0.07 0.14 0.00 0.00 0.00 173.10 173.64 3hhl s VAL 68 N -2.61 4.06 -0.75 1.40 1.01 -1.26 -4.26 120.40 117.99 3hhl s VAL 68 Ca 0.68 -0.51 0.19 0.00 0.00 0.00 0.00 61.98 62.35 3hhl s VAL 68 Cb -0.19 -3.02 -0.23 0.00 0.00 0.00 0.00 36.38 32.94 3hhl s VAL 68 CO 0.61 0.18 0.75 1.33 0.00 0.00 0.00 175.10 177.97 3hhl n VAL 69 N 4.89 0.00 -3.58 2.92 0.24 -0.43 -4.95 118.33 117.41 3hhl n VAL 69 Ca -0.15 -0.12 -0.16 0.00 -2.04 0.00 0.00 64.34 61.87 3hhl n VAL 69 Cb 0.49 0.82 -0.07 0.00 -1.47 0.00 0.00 33.84 33.61 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 -2.94 -0.68 -0.15 6.34 -0.00 -1.17 -4.99 118.94 115.34 3hhl s TRP 70 Ca 0.05 1.41 -0.16 0.00 -0.00 0.00 0.00 56.10 57.40 3hhl s TRP 70 Cb 0.14 0.33 0.04 0.00 -0.00 0.00 0.00 33.47 33.99 3hhl s TRP 70 CO 0.80 -0.49 0.44 -1.14 -0.00 0.00 0.00 176.95 176.56 3hhl s GLN 71 N -0.52 0.53 0.05 5.86 0.74 -1.26 -0.68 119.66 124.38 3hhl s GLN 71 Ca -0.06 0.56 0.01 0.00 0.05 0.00 0.00 55.36 55.91 3hhl s GLN 71 Cb -0.02 0.26 -0.03 0.00 1.10 0.00 0.00 33.01 34.32 3hhl s GLN 71 CO 0.06 -0.07 -0.05 0.20 -0.55 0.00 0.00 175.29 174.87 3hhl s GLY 72 N 0.11 0.47 -0.24 2.59 0.00 -0.51 -5.01 107.32 104.74 3hhl s GLY 72 Ca -0.01 -0.89 -0.18 0.00 0.00 0.00 0.00 44.72 43.65 3hhl s GLY 72 CO 0.01 -0.96 0.50 1.62 0.00 0.00 0.00 173.10 174.27 3hhl s GLN 73 N -2.31 4.10 0.22 2.90 0.74 -1.26 -3.89 119.66 120.17 3hhl s GLN 73 Ca -0.05 0.32 -0.31 0.00 0.05 0.00 0.00 55.36 55.37 3hhl s GLN 73 Cb -0.05 -3.62 -0.11 0.00 1.10 0.00 0.00 33.01 30.33 3hhl s GLN 73 CO -0.03 -0.28 1.64 0.12 -0.55 0.00 0.00 175.29 176.20 3hhl s PHE 74 N 2.06 2.90 0.00 1.67 5.36 -1.26 -4.91 117.98 123.81 3hhl s PHE 74 Ca 0.21 0.55 0.00 0.00 -0.96 0.00 0.00 56.93 56.73 3hhl s PHE 74 Cb -0.16 -4.06 0.00 0.00 -0.34 0.00 0.00 43.02 38.46 3hhl s PHE 74 CO 0.09 -3.86 0.00 0.39 -1.46 0.00 0.00 175.22 170.38 3hhl n GLU 75 N 3.43 2.01 0.00 10.12 1.02 -1.26 -5.06 120.64 130.89 3hhl n GLU 75 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 3hhl n GLU 75 Cb 0.37 -0.97 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 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 -2.16 0.00 0.00 -4.62 7.94 -1.26 -5.20 117.00 111.70 3hhl n LEU 76 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3hhl n LEU 76 Cb 0.47 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.42 3hhl n LEU 76 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.39 176.17 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 -0.32 0.00 -1.11 0.00 0.00 56.01 54.58 3hhl n LEU 78 Cb 0.00 0.16 -0.16 0.00 0.53 0.00 0.00 43.42 43.95 3hhl n LEU 78 CO 0.00 -0.16 -0.53 -0.63 -1.11 0.00 0.00 177.39 174.96 3hhl s ILE 79 N -1.39 1.93 -5.00 1.96 1.01 -1.26 -5.06 121.20 113.39 3hhl s ILE 79 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.77 3hhl s ILE 79 Cb 0.00 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.73 3hhl s ILE 79 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.07 3hhl n GLY 80 N 4.35 0.82 3.77 6.18 0.00 -1.26 -5.10 105.19 113.95 3hhl n GLY 80 Ca -0.20 -1.91 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.24 4.65 0.48 1.61 0.04 -1.26 -4.97 135.00 134.32 3hhl s PRO 81 Ca 0.00 1.30 0.32 0.00 0.04 0.00 0.00 61.00 62.66 3hhl s PRO 81 Cb 0.00 -3.12 1.37 0.00 0.04 0.00 0.00 34.50 32.79 3hhl s PRO 81 CO 0.00 0.46 1.94 1.96 0.04 0.00 0.00 177.00 181.41 3hhl h GLN 82 N 3.88 0.00 0.00 4.56 1.08 -2.00 -1.77 115.11 120.86 3hhl h GLN 82 Ca -0.46 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.74 3hhl h GLN 82 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 3hhl h GLN 82 CO 0.66 0.00 0.00 -0.40 -0.95 0.00 0.00 178.83 178.14 3hhl n ASP 83 N -2.85 0.00 -4.58 1.46 5.75 -1.26 -4.58 116.55 110.49 3hhl n ASP 83 Ca 0.01 0.07 -0.40 0.00 -0.01 0.00 0.00 54.79 54.46 3hhl n ASP 83 Cb 0.25 -0.31 -0.09 0.00 -1.03 0.00 0.00 41.12 39.95 3hhl n ASP 83 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3hhl s GLU 84 N -2.61 3.82 0.00 0.11 2.12 -0.67 -5.03 118.70 116.45 3hhl s GLU 84 Ca 0.17 -0.16 -0.13 0.00 0.36 0.00 0.00 54.97 55.21 3hhl s GLU 84 Cb 0.12 -3.72 0.02 0.00 0.26 0.00 0.00 34.13 30.81 3hhl s GLU 84 CO 0.29 -0.39 0.27 -3.38 -0.54 0.00 0.00 175.26 171.50 3hhl s HIS 85 N 2.07 -0.10 0.01 5.30 -3.43 -1.26 -4.93 115.29 112.95 3hhl s HIS 85 Ca 0.14 0.09 0.05 0.00 -0.80 0.00 0.00 55.06 54.54 3hhl s HIS 85 Cb -0.16 0.06 -0.02 0.00 -1.43 0.00 0.00 32.58 31.03 3hhl s HIS 85 CO 0.11 -0.39 -0.14 -1.58 -2.00 0.00 0.00 174.74 170.73 3hhl s TRP 86 N -1.65 1.26 -0.12 0.38 0.52 -1.26 -4.68 118.94 113.39 3hhl s TRP 86 Ca -0.12 -0.29 0.10 0.00 0.02 0.00 0.00 56.10 55.81 3hhl s TRP 86 Cb -0.05 -0.78 -0.24 0.00 -1.15 0.00 0.00 33.47 31.26 3hhl s TRP 86 CO 0.02 0.01 0.37 -0.25 0.02 0.00 0.00 176.95 177.11 3hhl n ASP 87 N 2.31 0.94 -3.99 2.95 8.00 0.10 -4.57 116.55 122.29 3hhl n ASP 87 Ca -0.16 0.21 -0.22 0.00 0.71 0.00 0.00 54.79 55.33 3hhl n ASP 87 Cb 0.55 0.07 -0.16 0.00 -0.02 0.00 0.00 41.12 41.55 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 -2.55 1.14 -0.04 1.24 3.76 -0.74 -4.77 115.29 113.33 3hhl s HIS 88 Ca -0.12 -0.36 -0.02 0.00 -0.15 0.00 0.00 55.06 54.41 3hhl s HIS 88 Cb 0.07 -0.85 0.03 0.00 1.11 0.00 0.00 32.58 32.94 3hhl s HIS 88 CO 0.80 -0.19 0.05 0.08 -0.85 0.00 0.00 174.74 174.63 3hhl s VAL 89 N 0.54 -0.06 0.16 -0.90 1.01 -1.25 -0.88 120.40 119.01 3hhl s VAL 89 Ca -0.10 0.39 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 3hhl s VAL 89 Cb -0.13 -0.18 0.06 0.00 0.00 0.00 0.00 36.38 36.13 3hhl s VAL 89 CO 0.02 0.18 0.71 0.72 0.00 0.00 0.00 175.10 176.73 3hhl s PHE 90 N 2.09 -0.38 -0.13 5.22 -0.71 -0.96 -1.42 117.98 121.68 3hhl s PHE 90 Ca 0.04 0.12 0.02 0.00 -1.04 0.00 0.00 56.93 56.07 3hhl s PHE 90 Cb -0.12 0.60 0.00 0.00 -1.21 0.00 0.00 43.02 42.29 3hhl s PHE 90 CO -0.03 -0.89 -0.19 0.42 -1.34 0.00 0.00 175.22 173.19 3hhl s ILE 91 N -3.64 2.41 -0.11 -4.49 1.01 0.15 -0.16 121.20 116.36 3hhl s ILE 91 Ca 0.05 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 3hhl s ILE 91 Cb -0.02 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 3hhl s ILE 91 CO -0.06 0.54 -0.04 0.00 0.00 0.00 0.00 174.94 175.37 3hhl s ALA 92 N 0.64 3.05 -0.09 9.38 0.00 -1.26 -1.32 121.76 132.15 3hhl s ALA 92 Ca -0.10 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 3hhl s ALA 92 Cb -0.16 -1.43 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 3hhl s ALA 92 CO 0.02 0.41 0.02 -2.00 0.00 0.00 0.00 175.76 174.21 3hhl s GLU 93 N -0.27 3.08 0.12 0.00 2.12 -1.26 -4.34 118.70 118.13 3hhl s GLU 93 Ca 0.05 -0.38 0.08 0.00 0.36 0.00 0.00 54.97 55.07 3hhl s GLU 93 Cb -0.13 -2.85 -0.04 0.00 0.26 0.00 0.00 34.13 31.38 3hhl s GLU 93 CO 0.02 0.68 -0.19 0.71 -0.54 0.00 0.00 175.26 175.95 3hhl s TYR 94 N -0.82 1.68 -0.92 5.30 1.51 -0.58 -4.08 117.35 119.44 3hhl s TYR 94 Ca 0.13 -0.45 0.28 0.00 -1.01 0.00 0.00 57.07 56.01 3hhl s TYR 94 Cb -0.11 -0.89 1.01 0.00 -0.11 0.00 0.00 41.96 41.85 3hhl s TYR 94 CO 0.02 0.21 1.80 -0.35 -1.11 0.00 0.00 175.55 176.13 3hhl n PRO 95 N 0.83 0.08 -3.53 -1.71 -0.04 -1.26 -1.54 135.00 127.83 3hhl n PRO 95 Ca -0.18 0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.24 3hhl n PRO 95 Cb 0.55 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 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 -3.43 -0.45 0.15 3.54 1.04 -1.26 -3.69 113.70 109.60 3hhl s SER 96 Ca 0.12 -0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.29 3hhl s SER 96 Cb 0.17 0.56 0.02 0.00 0.10 0.00 0.00 66.02 66.87 3hhl s SER 96 CO 0.58 -0.94 1.66 0.58 0.98 0.00 0.00 173.24 176.10 3hhl h VAL 97 N 2.00 1.23 -0.79 5.02 2.07 -1.86 -2.77 116.25 121.15 3hhl h VAL 97 Ca -0.28 -0.78 0.07 0.00 0.82 0.00 0.00 66.70 66.53 3hhl h VAL 97 Cb 1.28 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.83 3hhl h VAL 97 CO 0.33 0.28 0.52 0.00 0.02 0.00 0.00 177.57 178.72 3hhl h ALA 98 N 1.00 1.64 -0.85 1.67 0.00 -1.95 -1.22 119.26 119.55 3hhl h ALA 98 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hhl h ALA 98 Cb 0.29 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hhl h ALA 98 CO -0.00 0.23 0.46 0.00 0.00 0.00 0.00 179.25 179.94 3hhl h ALA 99 N 1.57 1.09 -0.36 0.00 0.00 -1.82 -0.67 119.26 119.08 3hhl h ALA 99 Ca 0.34 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3hhl h ALA 99 Cb 0.25 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hhl h ALA 99 CO -0.12 0.61 -0.39 0.35 0.00 0.00 0.00 179.25 179.70 3hhl h PHE 100 N 1.19 1.03 -0.43 0.00 3.57 -1.25 -2.86 116.94 118.18 3hhl h PHE 100 Ca 0.30 -0.30 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 3hhl h PHE 100 Cb 0.04 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.55 3hhl h PHE 100 CO 0.01 1.11 -0.12 0.28 -2.23 0.00 0.00 178.31 177.35 3hhl h VAL 101 N 0.70 1.26 0.00 1.41 2.07 -0.89 -1.84 116.25 118.97 3hhl h VAL 101 Ca 0.06 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.39 3hhl h VAL 101 Cb 0.96 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3hhl h VAL 101 CO 0.09 0.41 0.00 -0.62 0.02 0.00 0.00 177.57 177.47 3hhl n GLU 102 N -4.16 0.36 0.00 1.57 -0.58 -0.29 -1.62 120.64 115.92 3hhl n GLU 102 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 3hhl n GLU 102 Cb 0.37 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 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 1.07 0.00 0.18 -3.67 -6.64 -0.69 -1.53 119.36 108.08 3hhl n ILE 104 Ca 0.00 0.00 0.11 0.00 -1.77 0.00 0.00 62.75 61.09 3hhl n ILE 104 Cb 0.18 0.00 0.01 0.00 -1.44 0.00 0.00 39.64 38.39 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 0.55 -1.73 6.28 1.74 -0.64 -4.60 116.66 118.27 3hhl n ARG 105 Ca 0.00 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 3hhl n ARG 105 Cb 0.00 -1.78 -0.03 0.00 -1.02 0.00 0.00 32.46 29.63 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 -5.10 6.40 0.36 0.55 2.15 -0.58 -4.83 116.67 115.61 3hhl s ASP 106 Ca -0.00 2.84 0.04 0.00 0.43 0.00 0.00 52.55 55.86 3hhl s ASP 106 Cb 0.11 -2.59 0.67 0.00 -0.30 0.00 0.00 42.92 40.80 3hhl s ASP 106 CO 0.79 -0.98 1.96 1.55 -0.17 0.00 0.00 175.17 178.32 3hhl h PRO 107 N 7.21 0.63 -0.91 4.34 0.13 -1.92 0.22 132.00 141.71 3hhl h PRO 107 Ca -0.44 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 3hhl h PRO 107 Cb 1.20 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 3hhl h PRO 107 CO 0.95 0.51 0.50 0.28 -0.23 0.00 0.00 178.00 180.02 3hhl h VAL 108 N 0.63 1.26 -0.41 1.56 2.07 -1.96 -2.81 116.25 116.59 3hhl h VAL 108 Ca 0.16 -0.64 -0.13 0.00 0.82 0.00 0.00 66.70 66.90 3hhl h VAL 108 Cb 0.10 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 3hhl h VAL 108 CO -0.02 0.29 -0.27 0.22 0.02 0.00 0.00 177.57 177.82 3hhl h TYR 109 N 1.27 1.05 -0.10 1.57 3.20 -1.21 -2.16 116.97 120.58 3hhl h TYR 109 Ca 0.32 -0.28 0.03 0.00 3.14 0.00 0.00 58.73 61.94 3hhl h TYR 109 Cb 0.02 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 3hhl h TYR 109 CO 0.01 1.09 0.10 0.00 -1.64 0.00 0.00 178.16 177.71 3hhl h ARG 110 N 0.72 0.00 0.13 1.82 3.08 -0.57 0.05 114.38 119.60 3hhl h ARG 110 Ca 0.08 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.95 3hhl h ARG 110 Cb 0.85 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.91 3hhl h ARG 110 CO 0.07 0.00 -0.81 0.93 -1.07 0.00 0.00 179.97 179.09 3hhl h GLU 111 N 0.00 0.27 -0.97 0.04 4.39 -1.31 -3.36 114.58 113.64 3hhl h GLU 111 Ca 0.05 -0.46 0.09 0.00 0.34 0.00 0.00 59.36 59.38 3hhl h GLU 111 Cb 0.24 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 28.99 3hhl h GLU 111 CO -0.00 1.22 0.61 0.00 -1.16 0.00 0.00 179.01 179.68 3hhl h ALA 112 N 0.06 1.39 0.00 3.43 0.00 -0.69 -2.31 119.26 121.14 3hhl h ALA 112 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3hhl h ALA 112 Cb 1.60 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3hhl h ALA 112 CO 0.13 0.31 -0.07 -0.24 0.00 0.00 0.00 179.25 179.38 3hhl h VAL 113 N 1.05 0.33 -0.79 0.00 3.04 -1.17 0.54 116.25 119.26 3hhl h VAL 113 Ca 0.45 -0.43 0.18 0.00 -1.01 0.00 0.00 66.70 65.89 3hhl h VAL 113 Cb 0.30 1.31 -0.05 0.00 -2.01 0.00 0.00 31.29 30.85 3hhl h VAL 113 CO -0.21 0.07 0.53 0.11 -1.01 0.00 0.00 177.57 177.06 3hhl h LYS 114 N 0.00 0.31 -0.30 4.17 1.57 -1.56 0.63 116.57 121.40 3hhl h LYS 114 Ca -0.00 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.62 3hhl h LYS 114 Cb 0.31 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 3hhl h LYS 114 CO 0.01 0.21 -0.39 0.45 -0.57 0.00 0.00 179.45 179.16 3hhl h HIS 115 N 0.32 0.84 -0.66 -1.35 3.86 -1.03 -2.36 115.15 114.77 3hhl h HIS 115 Ca 0.39 -0.24 -0.01 0.00 -1.16 0.00 0.00 60.37 59.35 3hhl h HIS 115 Cb 1.06 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.32 3hhl h HIS 115 CO -0.00 0.99 0.37 -0.09 0.86 0.00 0.00 177.93 180.06 3hhl h ARG 116 N 0.58 0.91 -0.43 2.45 2.43 -0.99 -1.13 114.38 118.21 3hhl h ARG 116 Ca 0.05 -0.10 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 3hhl h ARG 116 Cb 0.92 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 3hhl h ARG 116 CO 0.08 0.68 0.09 1.96 -1.51 0.00 0.00 179.97 181.27 3hhl h GLN 117 N 0.90 0.65 0.00 0.20 4.20 -0.92 -0.42 115.11 119.72 3hhl h GLN 117 Ca 0.23 -0.12 -0.14 0.00 0.06 0.00 0.00 58.65 58.68 3hhl h GLN 117 Cb 0.02 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3hhl h GLN 117 CO -0.04 0.60 -0.68 0.00 -0.67 0.00 0.00 178.83 178.05 3hhl h ALA 118 N 1.47 0.88 0.13 3.87 0.00 -1.12 -3.36 119.26 121.13 3hhl h ALA 118 Ca 0.14 -0.61 -0.31 0.00 0.00 0.00 0.00 54.91 54.13 3hhl h ALA 118 Cb 0.26 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3hhl h ALA 118 CO -0.00 0.84 -1.54 0.00 0.00 0.00 0.00 179.25 178.55 3hhl h ALA 119 N 1.32 0.23 -2.79 0.00 0.00 0.18 -0.78 119.26 117.43 3hhl h ALA 119 Ca -0.01 -1.09 -0.58 0.00 0.00 0.00 0.00 54.91 53.23 3hhl h ALA 119 Cb 1.20 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 19.20 3hhl h ALA 119 CO 0.09 1.10 -0.04 0.08 0.00 0.00 0.00 179.25 180.48 3hhl s VAL 120 N -2.61 5.12 -0.08 0.00 1.01 -0.69 -0.63 120.40 122.52 3hhl s VAL 120 Ca -0.10 1.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.86 3hhl s VAL 120 Cb 0.07 -3.88 -0.29 0.00 0.00 0.00 0.00 36.38 32.28 3hhl s VAL 120 CO 0.86 0.25 0.56 -0.08 0.00 0.00 0.00 175.10 176.69 3hhl h GLU 121 N 6.97 0.32 -2.51 2.72 4.81 -0.95 -3.44 114.58 122.50 3hhl h GLU 121 Ca -0.38 -0.54 -0.05 0.00 -0.13 0.00 0.00 59.36 58.25 3hhl h GLU 121 Cb 1.17 0.20 -0.16 0.00 0.63 0.00 0.00 28.75 30.59 3hhl h GLU 121 CO 0.76 1.26 0.16 0.34 -0.73 0.00 0.00 179.01 180.79 3hhl s ASP 122 N -7.16 -0.57 0.17 1.04 2.15 -1.04 -2.98 116.67 108.27 3hhl s ASP 122 Ca -0.19 0.36 -0.24 0.00 0.43 0.00 0.00 52.55 52.92 3hhl s ASP 122 Cb 0.05 0.54 0.06 0.00 -0.30 0.00 0.00 42.92 43.28 3hhl s ASP 122 CO 0.81 -0.75 0.71 -0.94 -0.17 0.00 0.00 175.17 174.83 3hhl s SER 123 N -1.86 -0.42 0.05 -0.34 1.04 -0.54 -0.72 113.70 110.92 3hhl s SER 123 Ca -0.06 -0.20 0.06 0.00 0.48 0.00 0.00 55.95 56.23 3hhl s SER 123 Cb -0.01 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.68 3hhl s SER 123 CO 0.00 -1.01 -0.16 -0.13 0.98 0.00 0.00 173.24 172.92 3hhl s ARG 124 N -3.65 1.01 -0.23 4.02 1.81 0.39 -4.53 118.95 117.76 3hhl s ARG 124 Ca 0.05 -0.88 -0.04 0.00 -1.72 0.00 0.00 55.73 53.15 3hhl s ARG 124 Cb -0.02 -1.07 0.08 0.00 -0.45 0.00 0.00 34.95 33.49 3hhl s ARG 124 CO -0.06 0.26 0.10 -1.17 -0.68 0.00 0.00 175.30 173.75 3hhl s LEU 125 N -1.35 0.68 -0.20 2.53 2.96 -1.26 -1.16 118.68 120.87 3hhl s LEU 125 Ca 0.02 -0.99 -0.06 0.00 -0.22 0.00 0.00 54.13 52.88 3hhl s LEU 125 Cb -0.09 -0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.19 3hhl s LEU 125 CO 0.02 -0.39 0.02 -0.63 -1.32 0.00 0.00 176.35 174.06 3hhl s ILE 126 N 2.05 4.19 -0.15 6.68 1.01 -0.10 -4.95 121.20 129.94 3hhl s ILE 126 Ca 0.05 -0.23 -0.19 0.00 0.00 0.00 0.00 60.65 60.28 3hhl s ILE 126 Cb -0.16 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 3hhl s ILE 126 CO -0.21 0.42 0.52 -0.60 0.00 0.00 0.00 174.94 175.06 3hhl s ARG 127 N 0.95 4.28 0.00 2.79 3.52 -1.26 -0.94 118.95 128.29 3hhl s ARG 127 Ca 0.02 0.48 0.00 0.00 -0.13 0.00 0.00 55.73 56.10 3hhl s ARG 127 Cb -0.14 -3.49 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 3hhl s ARG 127 CO 0.02 0.01 0.00 1.28 -0.81 0.00 0.00 175.30 175.80 3hhl n LEU 128 N 4.19 0.00 -4.25 -0.88 4.32 0.16 -4.99 117.00 115.55 3hhl n LEU 128 Ca -0.05 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.63 3hhl n LEU 128 Cb 0.51 0.00 -0.16 0.00 -1.62 0.00 0.00 43.42 42.15 3hhl n LEU 128 CO 0.43 0.00 -0.56 -2.84 -1.22 0.00 0.00 177.39 173.20 3hhl s PRO 130 N 4.42 2.50 0.14 3.23 0.02 -1.26 -1.05 135.00 143.00 3hhl s PRO 130 Ca 0.00 -0.87 0.07 0.00 0.02 0.00 0.00 61.00 60.21 3hhl s PRO 130 Cb 0.00 -2.11 -0.04 0.00 0.02 0.00 0.00 34.50 32.37 3hhl s PRO 130 CO 0.00 0.35 -0.03 -0.51 -0.33 0.00 0.00 177.00 176.48 3hhl s LEU 131 N -0.11 3.27 -0.04 -5.54 1.43 -1.26 -5.08 118.68 111.35 3hhl s LEU 131 Ca -0.05 -0.35 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 3hhl s LEU 131 Cb -0.14 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 44.04 3hhl s LEU 131 CO 0.04 0.13 1.87 -0.54 0.23 0.00 0.00 176.35 178.08 3hhl s LYS 132 N -2.60 4.02 0.00 1.70 1.02 -1.26 -4.86 119.74 117.76 3hhl s LYS 132 Ca 0.25 2.35 -0.10 0.00 0.02 0.00 0.00 55.97 58.50 3hhl s LYS 132 Cb -0.10 -4.12 -0.12 0.00 -0.52 0.00 0.00 37.83 32.97 3hhl s LYS 132 CO 0.17 -1.07 1.15 -2.30 -0.92 0.00 0.00 175.35 172.39 3hhl n PRO 133 N 7.55 0.00 0.00 -1.68 -0.02 -1.26 -5.41 135.00 134.18 3hhl n PRO 133 Ca 0.20 -0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.04 3hhl n PRO 133 Cb 0.42 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 3hhl n PRO 133 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89