#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhc s HIS 5 N 0.00 3.48 -0.40 0.00 5.65 -1.26 -4.88 115.29 117.87 3hhc s HIS 5 Ca 0.00 -2.05 0.18 0.00 0.25 0.00 0.00 55.06 53.43 3hhc s HIS 5 Cb 0.00 -3.24 -0.24 0.00 -1.18 0.00 0.00 32.58 27.92 3hhc s HIS 5 CO 0.00 -0.96 0.56 0.44 -0.65 0.00 0.00 174.74 174.14 3hhc n ILE 6 N 4.76 0.00 0.23 0.89 -0.00 -1.26 -4.49 119.36 119.50 3hhc n ILE 6 Ca -0.06 -0.26 0.13 0.00 -0.00 0.00 0.00 62.75 62.56 3hhc n ILE 6 Cb 0.41 0.51 0.71 0.00 -0.00 0.00 0.00 39.64 41.28 3hhc n ILE 6 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3hhc h ALA 7 N 2.05 1.11 0.00 -1.28 0.00 -1.90 -0.57 119.26 118.68 3hhc h ALA 7 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hhc h ALA 7 Cb 0.64 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hhc h ALA 7 CO 0.00 -0.11 -0.15 -0.56 0.00 0.00 0.00 179.25 178.43 3hhc h GLN 8 N 0.00 0.00 -0.69 0.00 3.07 -1.94 -3.14 115.11 112.41 3hhc h GLN 8 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3hhc h GLN 8 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.84 3hhc h GLN 8 CO 0.00 0.15 0.00 1.19 0.09 0.00 0.00 178.83 180.26 3hhc n PHE 9 N -3.24 1.04 -0.31 0.06 0.99 -0.22 -4.23 117.46 111.55 3hhc n PHE 9 Ca 0.01 -0.52 -0.05 0.00 -0.00 0.00 0.00 57.45 56.89 3hhc n PHE 9 Cb 0.43 -0.05 0.07 0.00 -1.00 0.00 0.00 39.48 38.94 3hhc n PHE 9 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 3hhc h LYS 10 N 4.08 1.18 -6.49 -1.08 1.57 -1.67 -3.41 116.57 110.77 3hhc h LYS 10 Ca 0.00 -0.16 -0.66 0.00 -1.87 0.00 0.00 60.65 57.96 3hhc h LYS 10 Cb 1.06 -0.22 -0.28 0.00 0.08 0.00 0.00 32.23 32.87 3hhc h LYS 10 CO 0.04 0.89 -0.87 -1.54 -0.57 0.00 0.00 179.45 177.40 3hhc s SER 11 N -6.22 2.91 -0.04 0.86 1.04 -1.26 -4.70 113.70 106.28 3hhc s SER 11 Ca -0.13 -0.52 0.07 0.00 0.48 0.00 0.00 55.95 55.85 3hhc s SER 11 Cb 0.16 -0.28 -0.02 0.00 0.10 0.00 0.00 66.02 65.98 3hhc s SER 11 CO 0.82 0.26 -0.24 -0.76 0.98 0.00 0.00 173.24 174.30 3hhc s LEU 12 N -0.97 2.14 0.42 2.42 1.02 -1.26 -5.01 118.68 117.44 3hhc s LEU 12 Ca 0.10 -0.46 -0.26 0.00 0.02 0.00 0.00 54.13 53.53 3hhc s LEU 12 Cb -0.09 -1.38 -0.09 0.00 0.02 0.00 0.00 46.19 44.65 3hhc s LEU 12 CO 0.01 0.29 1.39 -0.55 0.02 0.00 0.00 176.35 177.51 3hhc s SER 13 N -0.42 6.14 0.58 2.29 0.15 -1.26 -4.89 113.70 116.30 3hhc s SER 13 Ca 0.04 2.85 0.31 0.00 0.70 0.00 0.00 55.95 59.86 3hhc s SER 13 Cb -0.12 -2.65 1.80 0.00 -1.71 0.00 0.00 66.02 63.34 3hhc s SER 13 CO 0.01 -0.99 2.22 1.55 1.20 0.00 0.00 173.24 177.23 3hhc h PRO 14 N 2.62 0.00 0.01 5.44 0.13 -1.99 -2.14 132.00 136.07 3hhc h PRO 14 Ca -0.50 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.66 3hhc h PRO 14 Cb 1.25 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 3hhc h PRO 14 CO 0.62 0.03 -0.24 0.37 -0.23 0.00 0.00 178.00 178.55 3hhc h GLN 15 N 0.00 -0.37 -0.39 0.86 5.75 -2.00 -1.22 115.11 117.75 3hhc h GLN 15 Ca -0.00 0.03 -0.12 0.00 -0.15 0.00 0.00 58.65 58.41 3hhc h GLN 15 Cb 0.10 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 3hhc h GLN 15 CO 0.00 -0.25 -0.21 0.93 -2.65 0.00 0.00 178.83 176.66 3hhc h GLU 16 N -0.38 0.82 -0.34 1.69 5.08 -1.80 -3.17 114.58 116.49 3hhc h GLU 16 Ca 0.06 -0.37 0.05 0.00 -1.00 0.00 0.00 59.36 58.10 3hhc h GLU 16 Cb 0.46 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 3hhc h GLU 16 CO -0.21 1.00 0.09 -0.07 -1.00 0.00 0.00 179.01 178.82 3hhc h LEU 17 N 0.63 0.06 -2.12 1.33 3.38 -1.18 0.72 115.31 118.12 3hhc h LEU 17 Ca 0.08 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3hhc h LEU 17 Cb 0.77 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3hhc h LEU 17 CO 0.06 0.07 -0.04 -0.61 0.09 0.00 0.00 178.44 178.01 3hhc h GLN 18 N 0.22 0.00 0.00 1.13 5.75 -1.27 -1.72 115.11 119.21 3hhc h GLN 18 Ca 0.16 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.61 3hhc h GLN 18 Cb 0.16 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.71 3hhc h GLN 18 CO -0.19 0.04 -0.20 0.00 -2.65 0.00 0.00 178.83 175.84 3hhc h ALA 19 N 1.96 0.02 -0.01 3.38 0.00 -1.04 -2.84 119.26 120.73 3hhc h ALA 19 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3hhc h ALA 19 Cb 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hhc h ALA 19 CO 0.01 0.04 0.02 0.74 0.00 0.00 0.00 179.25 180.06 3hhc h PHE 20 N -0.57 0.00 0.06 0.00 -1.00 -0.53 -2.00 116.94 112.90 3hhc h PHE 20 Ca -0.02 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.49 3hhc h PHE 20 Cb 0.97 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.50 3hhc h PHE 20 CO 0.19 0.00 -1.32 -0.22 -1.61 0.00 0.00 178.31 175.35 3hhc h LYS 21 N 0.00 0.12 0.00 1.51 3.64 -1.32 0.41 116.57 120.93 3hhc h LYS 21 Ca 0.01 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.15 3hhc h LYS 21 Cb 0.04 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3hhc h LYS 21 CO -0.00 0.99 -0.12 0.00 -2.27 0.00 0.00 179.45 178.05 3hhc h ARG 22 N 0.03 0.00 0.08 1.90 3.08 -1.14 -1.31 114.38 117.02 3hhc h ARG 22 Ca -0.15 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.74 3hhc h ARG 22 Cb 1.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.97 3hhc h ARG 22 CO 0.14 0.12 -0.83 0.00 -1.07 0.00 0.00 179.97 178.33 3hhc h ALA 23 N 1.88 0.05 -0.68 0.04 0.00 -1.34 -2.95 119.26 116.26 3hhc h ALA 23 Ca -0.00 -0.82 0.09 0.00 0.00 0.00 0.00 54.91 54.18 3hhc h ALA 23 Cb 0.77 0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3hhc h ALA 23 CO 0.02 0.45 0.45 -0.22 0.00 0.00 0.00 179.25 179.94 3hhc h LYS 24 N -0.59 0.56 -0.04 0.00 3.64 -0.86 0.12 116.57 119.40 3hhc h LYS 24 Ca -0.18 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 3hhc h LYS 24 Cb 1.47 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3hhc h LYS 24 CO 0.04 0.37 -0.09 -0.44 -2.27 0.00 0.00 179.45 177.06 3hhc h ASP 25 N 0.58 0.15 -0.82 4.20 3.32 -1.33 -2.33 116.42 120.18 3hhc h ASP 25 Ca 0.31 -0.60 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 3hhc h ASP 25 Cb 0.45 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 3hhc h ASP 25 CO -0.10 0.72 0.37 0.00 -1.72 0.00 0.00 179.24 178.50 3hhc h ALA 26 N 0.43 1.06 -0.52 3.45 0.00 -1.29 -1.17 119.26 121.23 3hhc h ALA 26 Ca -0.00 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hhc h ALA 26 Cb 0.70 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3hhc h ALA 26 CO 0.02 0.65 0.29 -0.07 0.00 0.00 0.00 179.25 180.15 3hhc h LEU 27 N 1.18 0.46 -0.21 0.00 3.38 -1.02 -1.48 115.31 117.62 3hhc h LEU 27 Ca 0.28 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 3hhc h LEU 27 Cb 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3hhc h LEU 27 CO -0.03 0.32 0.09 -0.33 0.09 0.00 0.00 178.44 178.58 3hhc h GLU 28 N 0.58 0.30 -0.02 1.13 5.08 -0.92 -2.30 114.58 118.43 3hhc h GLU 28 Ca 0.22 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3hhc h GLU 28 Cb 0.07 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3hhc h GLU 28 CO -0.12 0.35 0.01 1.49 -1.00 0.00 0.00 179.01 179.74 3hhc h GLU 29 N 0.19 0.00 -0.18 2.33 4.57 -1.05 -2.05 114.58 118.40 3hhc h GLU 29 Ca 0.07 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.08 3hhc h GLU 29 Cb 0.15 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3hhc h GLU 29 CO -0.01 0.00 -0.60 1.03 -1.18 0.00 0.00 179.01 178.26 3hhc h SER 30 N 0.00 0.67 0.12 1.04 0.87 -0.74 -3.16 113.55 112.34 3hhc h SER 30 Ca 0.01 -0.38 -0.04 0.00 -1.23 0.00 0.00 61.79 60.16 3hhc h SER 30 Cb 0.04 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3hhc h SER 30 CO -0.00 1.11 -0.14 -0.07 -0.53 0.00 0.00 176.83 177.20 3hhc h LEU 31 N 0.44 0.05 -0.96 2.23 3.38 -0.87 -3.03 115.31 116.54 3hhc h LEU 31 Ca -0.00 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.08 3hhc h LEU 31 Cb 1.16 -0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.81 3hhc h LEU 31 CO 0.11 0.20 0.59 -0.07 0.09 0.00 0.00 178.44 179.37 3hhc h LEU 32 N 0.05 0.85 -9.69 1.67 4.07 -1.51 -3.34 115.31 107.41 3hhc h LEU 32 Ca 0.01 0.06 -0.57 0.00 0.08 0.00 0.00 57.88 57.45 3hhc h LEU 32 Cb 0.29 -0.11 0.10 0.00 1.08 0.00 0.00 40.66 42.02 3hhc h LEU 32 CO 0.02 0.44 0.51 -0.11 -1.08 0.00 0.00 178.44 178.22 3hhc n LEU 33 N -4.67 3.34 -3.34 1.67 -0.00 -1.15 -4.42 117.00 108.42 3hhc n LEU 33 Ca 0.18 1.19 -0.16 0.00 -0.00 0.00 0.00 56.01 57.22 3hhc n LEU 33 Cb 0.37 -1.46 -0.17 0.00 -0.00 0.00 0.00 43.42 42.16 3hhc n LEU 33 CO 0.26 -0.54 1.55 2.29 -0.00 0.00 0.00 177.39 180.95 3hhc n LYS 34 N 0.92 0.00 -4.39 1.96 2.85 -1.26 -4.86 118.16 113.38 3hhc n LYS 34 Ca 0.07 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.13 3hhc n LYS 34 Cb 0.35 -0.74 -0.10 0.00 -0.65 0.00 0.00 35.03 33.88 3hhc n LYS 34 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3hhc s ASP 35 N 0.00 2.50 0.00 -5.58 1.11 -1.25 -5.16 116.67 108.29 3hhc s ASP 35 Ca 0.97 -1.18 0.00 0.00 0.18 0.00 0.00 52.55 52.52 3hhc s ASP 35 Cb -0.63 -0.12 0.00 0.00 1.07 0.00 0.00 42.92 43.24 3hhc s ASP 35 CO 0.42 -0.37 0.00 0.00 1.18 0.00 0.00 175.17 176.40 3hhc n LYS 37 N -0.52 2.24 -4.09 0.00 4.76 -1.26 -4.06 118.16 115.23 3hhc n LYS 37 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 3hhc n LYS 37 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 3hhc n LYS 37 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hhc n ARG 39 N -1.22 0.69 -5.24 0.00 5.12 -1.26 -4.95 116.66 109.79 3hhc n ARG 39 Ca -0.08 0.18 -0.31 0.00 -1.93 0.00 0.00 57.85 55.71 3hhc n ARG 39 Cb 0.58 -1.59 -0.16 0.00 -1.16 0.00 0.00 32.46 30.13 3hhc n ARG 39 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3hhc s SER 40 N -6.59 3.20 -0.34 0.55 0.01 -1.26 -5.09 113.70 104.18 3hhc s SER 40 Ca -0.28 -0.43 -0.29 0.00 1.31 0.00 0.00 55.95 56.26 3hhc s SER 40 Cb 0.08 -0.45 -0.00 0.00 0.21 0.00 0.00 66.02 65.86 3hhc s SER 40 CO 0.68 0.32 1.44 -0.13 0.41 0.00 0.00 173.24 175.95 3hhc s ARG 41 N -0.59 3.69 0.06 12.44 0.52 -1.26 -4.91 118.95 128.90 3hhc s ARG 41 Ca 0.09 1.18 -0.21 0.00 -0.52 0.00 0.00 55.73 56.27 3hhc s ARG 41 Cb -0.10 -4.00 -0.12 0.00 0.52 0.00 0.00 34.95 31.25 3hhc s ARG 41 CO -0.00 -1.41 1.53 -0.07 0.02 0.00 0.00 175.30 175.36 3hhc h LEU 42 N 11.84 0.21 -6.79 2.53 3.38 -1.98 -3.36 115.31 121.14 3hhc h LEU 42 Ca -0.28 -0.26 -0.64 0.00 0.09 0.00 0.00 57.88 56.79 3hhc h LEU 42 Cb 1.11 -0.06 -0.40 0.00 0.09 0.00 0.00 40.66 41.41 3hhc h LEU 42 CO 1.05 0.41 -0.40 0.49 0.09 0.00 0.00 178.44 180.09 3hhc n PHE 43 N -4.82 3.53 -1.71 1.13 3.01 -1.26 -4.98 117.46 112.36 3hhc n PHE 43 Ca -0.05 -4.11 -0.43 0.00 1.01 0.00 0.00 57.45 53.86 3hhc n PHE 43 Cb 0.17 -0.74 -0.02 0.00 -0.01 0.00 0.00 39.48 38.88 3hhc n PHE 43 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3hhc n PRO 44 N 1.57 2.46 0.28 -1.08 -0.02 -1.26 -4.87 135.00 132.08 3hhc n PRO 44 Ca 0.24 0.88 0.13 0.00 -2.02 0.00 0.00 63.50 62.73 3hhc n PRO 44 Cb 0.37 -2.63 0.79 0.00 -0.02 0.00 0.00 33.50 32.02 3hhc n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hhc h ARG 45 N 4.91 0.00 0.00 -0.52 2.47 -1.98 -1.90 114.38 117.37 3hhc h ARG 45 Ca -0.46 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3hhc h ARG 45 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 3hhc h ARG 45 CO 0.81 0.07 0.00 0.25 0.56 0.00 0.00 179.97 181.66 3hhc n THR 46 N -3.76 1.11 -4.44 2.04 -2.24 -1.26 -4.66 114.28 101.07 3hhc n THR 46 Ca -0.02 0.28 -0.33 0.00 -2.27 0.00 0.00 64.05 61.70 3hhc n THR 46 Cb 0.17 -1.07 -0.15 0.00 -2.10 0.00 0.00 70.33 67.18 3hhc n THR 46 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3hhc s TRP 47 N -3.02 2.82 0.25 4.78 -0.00 -0.71 -5.11 118.94 117.95 3hhc s TRP 47 Ca 0.06 -0.98 0.04 0.00 -0.00 0.00 0.00 56.10 55.22 3hhc s TRP 47 Cb 0.08 -1.92 -0.05 0.00 -0.00 0.00 0.00 33.47 31.58 3hhc s TRP 47 CO 0.24 -0.45 -0.01 0.34 -0.00 0.00 0.00 176.95 177.07 3hhc s ASP 48 N 0.87 2.08 0.18 5.86 2.15 -1.26 -4.85 116.67 121.69 3hhc s ASP 48 Ca -0.04 -1.23 -0.02 0.00 0.43 0.00 0.00 52.55 51.69 3hhc s ASP 48 Cb -0.15 -0.04 0.06 0.00 -0.30 0.00 0.00 42.92 42.49 3hhc s ASP 48 CO -0.00 -0.49 1.44 -0.07 -0.17 0.00 0.00 175.17 175.87 3hhc h LEU 49 N 2.39 0.51 -1.27 -1.34 4.07 -1.96 -3.14 115.31 114.58 3hhc h LEU 49 Ca -0.39 -0.33 0.23 0.00 0.08 0.00 0.00 57.88 57.47 3hhc h LEU 49 Cb 1.23 -0.15 -0.09 0.00 1.08 0.00 0.00 40.66 42.72 3hhc h LEU 49 CO 0.66 1.07 0.63 0.03 -1.08 0.00 0.00 178.44 179.75 3hhc h ARG 50 N 0.30 0.50 -0.67 1.13 3.08 -1.92 0.40 114.38 117.20 3hhc h ARG 50 Ca -0.03 -0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.15 3hhc h ARG 50 Cb 1.28 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.18 3hhc h ARG 50 CO 0.12 0.33 0.46 1.96 -1.07 0.00 0.00 179.97 181.77 3hhc h GLN 51 N 0.51 0.24 -7.05 0.04 4.20 -1.95 -3.43 115.11 107.68 3hhc h GLN 51 Ca 0.57 -0.01 -0.45 0.00 0.06 0.00 0.00 58.65 58.82 3hhc h GLN 51 Cb 1.26 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 3hhc h GLN 51 CO -0.31 0.16 0.32 -0.51 -0.67 0.00 0.00 178.83 177.82 3hhc s LEU 52 N -9.10 3.91 -0.60 1.46 1.43 0.14 -4.96 118.68 110.95 3hhc s LEU 52 Ca -0.07 1.64 -0.27 0.00 -1.03 0.00 0.00 54.13 54.40 3hhc s LEU 52 Cb 0.20 -4.49 -0.01 0.00 0.03 0.00 0.00 46.19 41.92 3hhc s LEU 52 CO 0.75 -0.37 1.77 -1.58 0.23 0.00 0.00 176.35 177.15 3hhc s GLN 53 N -3.27 2.77 0.00 1.70 0.74 -1.26 -4.85 119.66 115.48 3hhc s GLN 53 Ca 0.61 0.56 0.00 0.00 0.05 0.00 0.00 55.36 56.58 3hhc s GLN 53 Cb -0.09 -4.34 0.00 0.00 1.10 0.00 0.00 33.01 29.68 3hhc s GLN 53 CO 0.16 -2.57 0.00 1.33 -0.55 0.00 0.00 175.29 173.65 3hhc n VAL 54 N 7.12 0.00 -0.37 1.34 0.24 -1.26 -0.52 118.33 124.87 3hhc n VAL 54 Ca 0.18 0.00 0.32 0.00 -2.04 0.00 0.00 64.34 62.80 3hhc n VAL 54 Cb 0.51 0.00 0.64 0.00 -1.47 0.00 0.00 33.84 33.53 3hhc n VAL 54 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 3hhc h ARG 55 N 0.00 0.16 -0.00 7.34 -0.00 -1.96 0.97 114.38 120.90 3hhc h ARG 55 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 3hhc h ARG 55 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 29.93 3hhc h ARG 55 CO 0.00 0.11 -0.01 0.39 -0.00 0.00 0.00 179.97 180.46 3hhc n GLU 56 N -4.44 0.40 -0.04 0.08 -0.58 0.32 -4.06 120.64 112.32 3hhc n GLU 56 Ca 0.29 -0.01 -0.13 0.00 -0.42 0.00 0.00 57.16 56.89 3hhc n GLU 56 Cb 1.20 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 30.49 3hhc n GLU 56 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hhc h ARG 57 N 0.03 0.24 -0.78 3.49 3.08 -0.98 -2.82 114.38 116.64 3hhc h ARG 57 Ca 0.00 -0.11 0.11 0.00 0.07 0.00 0.00 59.98 60.04 3hhc h ARG 57 Cb 0.31 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.28 3hhc h ARG 57 CO 0.00 0.61 0.40 -1.35 -1.07 0.00 0.00 179.97 178.57 3hhc h PRO 58 N -0.14 0.64 -0.43 0.04 0.11 -1.76 0.08 132.00 130.54 3hhc h PRO 58 Ca 0.02 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.16 3hhc h PRO 58 Cb 0.55 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 31.46 3hhc h PRO 58 CO 0.02 0.42 0.09 0.28 -0.21 0.00 0.00 178.00 178.60 3hhc h VAL 59 N 0.66 0.78 -0.47 3.15 2.07 -1.78 0.14 116.25 120.80 3hhc h VAL 59 Ca 0.39 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.81 3hhc h VAL 59 Cb 0.44 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3hhc h VAL 59 CO -0.29 0.04 0.20 0.00 0.02 0.00 0.00 177.57 177.55 3hhc h ALA 60 N 1.32 0.61 -0.61 1.67 0.00 -1.02 -2.15 119.26 119.08 3hhc h ALA 60 Ca 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3hhc h ALA 60 Cb 0.25 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3hhc h ALA 60 CO -0.26 0.21 0.35 1.25 0.00 0.00 0.00 179.25 180.79 3hhc h LEU 61 N 0.62 0.75 -0.06 0.00 6.46 -0.50 -1.67 115.31 120.92 3hhc h LEU 61 Ca 0.16 -0.08 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 3hhc h LEU 61 Cb 0.17 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 3hhc h LEU 61 CO -0.02 0.61 -0.04 -0.08 -0.62 0.00 0.00 178.44 178.29 3hhc h GLU 62 N 0.83 -0.05 -0.89 1.25 4.22 -0.48 0.27 114.58 119.73 3hhc h GLU 62 Ca 0.22 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.69 3hhc h GLU 62 Cb 0.01 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.22 3hhc h GLU 62 CO -0.04 -0.03 0.59 0.00 -2.18 0.00 0.00 179.01 177.35 3hhc h ALA 63 N 1.00 1.41 -0.07 2.92 0.00 -1.24 0.22 119.26 123.51 3hhc h ALA 63 Ca 0.04 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3hhc h ALA 63 Cb 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hhc h ALA 63 CO -0.09 0.52 -0.54 1.49 0.00 0.00 0.00 179.25 180.63 3hhc h GLU 64 N 1.15 0.20 0.20 0.00 4.81 -0.52 -2.75 114.58 117.66 3hhc h GLU 64 Ca 0.34 -0.12 -0.34 0.00 -0.13 0.00 0.00 59.36 59.11 3hhc h GLU 64 Cb -0.04 0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.37 3hhc h GLU 64 CO -0.09 0.69 -1.64 1.25 -0.73 0.00 0.00 179.01 178.49 3hhc h LEU 65 N 0.15 0.67 -1.23 1.64 6.46 0.21 -3.22 115.31 119.99 3hhc h LEU 65 Ca 0.00 -0.93 -0.01 0.00 -0.12 0.00 0.00 57.88 56.82 3hhc h LEU 65 Cb 1.01 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.69 3hhc h LEU 65 CO 0.08 1.75 0.36 0.00 -0.62 0.00 0.00 178.44 180.02 3hhc h ALA 66 N 0.11 1.42 0.27 1.25 0.00 -0.62 -1.98 119.26 119.71 3hhc h ALA 66 Ca -0.32 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3hhc h ALA 66 Cb 2.09 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3hhc h ALA 66 CO 0.20 0.49 -0.13 1.25 0.00 0.00 0.00 179.25 181.05 3hhc h LEU 67 N 0.90 -0.30 -0.66 0.00 6.46 -1.58 -0.74 115.31 119.39 3hhc h LEU 67 Ca 0.23 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.79 3hhc h LEU 67 Cb 0.01 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 3hhc h LEU 67 CO -0.04 0.01 0.26 0.71 -0.62 0.00 0.00 178.44 178.76 3hhc h THR 68 N -0.63 1.24 -0.86 1.05 1.35 -1.55 0.24 112.91 113.75 3hhc h THR 68 Ca -0.04 -0.75 0.02 0.00 -0.55 0.00 0.00 66.41 65.10 3hhc h THR 68 Cb 0.45 0.50 -0.05 0.00 -1.73 0.00 0.00 68.15 67.32 3hhc h THR 68 CO 0.06 0.30 0.56 0.25 -0.25 0.00 0.00 175.52 176.44 3hhc h LEU 69 N 0.93 0.96 -0.07 3.87 5.85 -1.37 0.51 115.31 125.98 3hhc h LEU 69 Ca 0.22 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3hhc h LEU 69 Cb 0.21 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 3hhc h LEU 69 CO -0.02 0.67 0.02 0.50 -0.34 0.00 0.00 178.44 179.27 3hhc h LYS 70 N 1.12 0.11 -0.50 1.25 3.64 -0.13 0.20 116.57 122.28 3hhc h LYS 70 Ca 0.33 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.59 3hhc h LYS 70 Cb -0.06 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3hhc h LYS 70 CO -0.09 0.31 -0.07 0.28 -2.27 0.00 0.00 179.45 177.60 3hhc h VAL 71 N -0.10 1.26 -0.00 2.00 2.07 -0.27 -2.18 116.25 119.02 3hhc h VAL 71 Ca 0.02 -1.16 -0.16 0.00 0.82 0.00 0.00 66.70 66.22 3hhc h VAL 71 Cb 0.24 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3hhc h VAL 71 CO 0.00 0.41 -0.76 -0.07 0.02 0.00 0.00 177.57 177.16 3hhc h LEU 72 N 0.80 0.06 -0.17 2.57 3.38 0.06 -2.50 115.31 119.50 3hhc h LEU 72 Ca 0.14 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hhc h LEU 72 Cb 0.58 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3hhc h LEU 72 CO 0.04 0.79 0.10 -0.33 0.09 0.00 0.00 178.44 179.13 3hhc h GLU 73 N 0.03 0.22 -0.90 1.13 4.39 -0.39 -1.96 114.58 117.10 3hhc h GLU 73 Ca -0.01 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.69 3hhc h GLU 73 Cb 1.34 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.90 3hhc h GLU 73 CO 0.10 0.18 0.59 0.00 -1.16 0.00 0.00 179.01 178.73 3hhc h ALA 74 N 1.03 1.39 -0.58 3.43 0.00 -1.33 -1.88 119.26 121.32 3hhc h ALA 74 Ca 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3hhc h ALA 74 Cb 0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3hhc h ALA 74 CO -0.01 0.55 0.11 1.15 0.00 0.00 0.00 179.25 181.05 3hhc h THR 75 N 1.18 1.25 0.00 0.00 2.02 -1.18 -2.40 112.91 113.78 3hhc h THR 75 Ca 0.34 -0.94 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 3hhc h THR 75 Cb -0.08 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 3hhc h THR 75 CO -0.09 0.35 -0.02 0.00 0.37 0.00 0.00 175.52 176.14 3hhc h ALA 76 N 1.02 0.99 0.00 6.16 0.00 -0.96 -1.77 119.26 124.71 3hhc h ALA 76 Ca 0.18 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 3hhc h ALA 76 Cb 0.39 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hhc h ALA 76 CO 0.01 0.02 -0.57 -0.44 0.00 0.00 0.00 179.25 178.27 3hhc h ASP 77 N 0.00 0.49 1.77 0.00 3.32 -1.14 -3.32 116.42 117.54 3hhc h ASP 77 Ca -0.00 -0.77 -0.02 0.00 0.02 0.00 0.00 57.03 56.26 3hhc h ASP 77 Cb 0.84 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 3hhc h ASP 77 CO 0.00 1.20 -0.11 0.74 -1.72 0.00 0.00 179.24 179.35 3hhc h THR 78 N -0.16 0.20 -2.99 0.35 2.02 -1.42 -3.41 112.91 107.50 3hhc h THR 78 Ca -0.07 -1.22 -0.58 0.00 0.77 0.00 0.00 66.41 65.31 3hhc h THR 78 Cb 1.29 2.04 -0.40 0.00 -1.74 0.00 0.00 68.15 69.34 3hhc h THR 78 CO 0.11 0.11 -0.77 -0.62 0.37 0.00 0.00 175.52 174.73 3hhc s ASP 79 N -6.22 3.76 0.43 4.18 -1.08 -0.67 -4.99 116.67 112.08 3hhc s ASP 79 Ca 0.06 -1.79 0.12 0.00 -0.52 0.00 0.00 52.55 50.41 3hhc s ASP 79 Cb 0.06 -0.74 0.99 0.00 -1.46 0.00 0.00 42.92 41.77 3hhc s ASP 79 CO 0.67 -0.38 2.02 -0.65 0.52 0.00 0.00 175.17 177.35 3hhc h PRO 80 N 7.81 0.41 0.38 4.34 0.11 -1.81 -1.73 132.00 141.51 3hhc h PRO 80 Ca -0.11 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.96 3hhc h PRO 80 Cb 0.99 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3hhc h PRO 80 CO 0.44 0.27 -0.18 0.00 -0.21 0.00 0.00 178.00 178.32 3hhc h ALA 81 N 1.74 -0.50 -0.80 -0.75 0.00 -1.94 -1.74 119.26 115.26 3hhc h ALA 81 Ca 0.21 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 55.07 3hhc h ALA 81 Cb 0.30 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3hhc h ALA 81 CO -0.05 -0.77 0.53 -0.07 0.00 0.00 0.00 179.25 178.88 3hhc h LEU 82 N -0.52 0.76 -1.42 0.00 -0.00 -1.81 -1.65 115.31 110.65 3hhc h LEU 82 Ca -0.05 0.01 0.03 0.00 -0.00 0.00 0.00 57.88 57.86 3hhc h LEU 82 Cb 0.40 -0.15 -0.03 0.00 -0.00 0.00 0.00 40.66 40.87 3hhc h LEU 82 CO 0.08 0.48 0.41 1.23 -0.00 0.00 0.00 178.44 180.65 3hhc h GLY 83 N 0.86 0.85 0.81 0.83 0.00 -0.86 0.46 103.07 106.02 3hhc h GLY 83 Ca 0.35 -0.30 0.14 0.00 0.00 0.00 0.00 47.33 47.52 3hhc h GLY 83 CO -0.13 0.27 0.46 -0.55 0.00 0.00 0.00 176.54 176.59 3hhc h ASP 84 N 0.77 0.28 0.00 0.19 3.45 -0.41 0.48 116.42 121.18 3hhc h ASP 84 Ca 0.24 0.01 -0.15 0.00 0.43 0.00 0.00 57.03 57.57 3hhc h ASP 84 Cb 0.03 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 38.73 3hhc h ASP 84 CO -0.06 0.15 -2.01 0.52 -1.57 0.00 0.00 179.24 176.26 3hhc n VAL 85 N -4.45 0.55 0.08 -1.35 0.31 -0.41 -4.49 118.33 108.57 3hhc n VAL 85 Ca 0.12 -0.57 -0.03 0.00 -0.01 0.00 0.00 64.34 63.86 3hhc n VAL 85 Cb 0.53 -0.21 -0.06 0.00 -0.91 0.00 0.00 33.84 33.19 3hhc n VAL 85 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3hhc h LEU 86 N 0.00 0.00 -0.20 7.52 -0.00 0.29 -3.40 115.31 119.52 3hhc h LEU 86 Ca -0.22 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.70 3hhc h LEU 86 Cb 1.42 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 42.01 3hhc h LEU 86 CO 0.01 0.75 -0.53 0.44 -0.00 0.00 0.00 178.44 179.11 3hhc h ASP 87 N 0.00 -1.71 0.39 -0.43 3.32 -1.14 0.32 116.42 117.16 3hhc h ASP 87 Ca -0.05 0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3hhc h ASP 87 Cb 1.61 0.68 -0.01 0.00 0.22 0.00 0.00 39.33 41.84 3hhc h ASP 87 CO 0.09 -0.46 -0.28 -0.61 -1.72 0.00 0.00 179.24 176.26 3hhc h GLN 88 N -0.53 -0.63 -0.82 3.56 5.75 -1.85 -2.25 115.11 118.34 3hhc h GLN 88 Ca 0.05 0.04 0.08 0.00 -0.15 0.00 0.00 58.65 58.67 3hhc h GLN 88 Cb 0.66 0.14 -0.06 0.00 1.07 0.00 0.00 27.48 29.30 3hhc h GLN 88 CO -0.48 -0.42 0.54 -1.35 -2.65 0.00 0.00 178.83 174.47 3hhc h PRO 89 N -0.66 0.81 -0.50 -2.39 0.11 -1.69 -1.31 132.00 126.37 3hhc h PRO 89 Ca -0.04 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 3hhc h PRO 89 Cb 0.56 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 3hhc h PRO 89 CO 0.01 0.54 0.15 -0.07 -0.21 0.00 0.00 178.00 178.42 3hhc h LEU 90 N 0.83 0.69 -0.22 2.35 3.38 -0.10 0.23 115.31 122.47 3hhc h LEU 90 Ca 0.37 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 3hhc h LEU 90 Cb 0.34 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hhc h LEU 90 CO -0.14 0.66 -0.13 0.45 0.09 0.00 0.00 178.44 179.37 3hhc h HIS 91 N 0.73 0.55 -0.55 1.13 3.86 -0.67 -0.89 115.15 119.31 3hhc h HIS 91 Ca 0.17 -0.14 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 3hhc h HIS 91 Cb 0.23 -0.12 -0.06 0.00 1.06 0.00 0.00 27.41 28.52 3hhc h HIS 91 CO 0.01 0.77 0.24 1.15 0.86 0.00 0.00 177.93 180.96 3hhc h THR 92 N 0.17 0.87 -0.68 2.45 2.02 -1.04 -1.36 112.91 115.34 3hhc h THR 92 Ca 0.05 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.09 3hhc h THR 92 Cb 0.64 0.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 3hhc h THR 92 CO 0.04 0.08 0.43 0.25 0.37 0.00 0.00 175.52 176.69 3hhc h LEU 93 N 0.45 0.72 -0.83 2.58 5.85 -0.33 -1.99 115.31 121.77 3hhc h LEU 93 Ca 0.26 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.93 3hhc h LEU 93 Cb 0.24 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3hhc h LEU 93 CO -0.22 0.50 0.32 0.45 -0.34 0.00 0.00 178.44 179.15 3hhc h HIS 94 N 0.85 1.21 0.27 1.25 3.86 -0.73 -2.90 115.15 118.96 3hhc h HIS 94 Ca 0.27 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 3hhc h HIS 94 Cb -0.01 -0.36 0.00 0.00 1.06 0.00 0.00 27.41 28.10 3hhc h HIS 94 CO -0.04 0.91 -0.13 1.25 0.86 0.00 0.00 177.93 180.78 3hhc h HIS 95 N 1.16 -0.33 0.00 2.45 -0.00 -0.52 -1.16 115.15 116.74 3hhc h HIS 95 Ca 0.27 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 3hhc h HIS 95 Cb 0.21 0.11 0.00 0.00 -0.00 0.00 0.00 27.41 27.73 3hhc h HIS 95 CO 0.02 -0.20 0.00 -0.84 -0.00 0.00 0.00 177.93 176.91 3hhc h ILE 96 N -0.37 0.00 0.10 6.26 3.07 -1.46 -2.09 117.51 123.03 3hhc h ILE 96 Ca -0.04 -0.32 -0.22 0.00 1.55 0.00 0.00 64.86 65.84 3hhc h ILE 96 Cb 0.28 1.25 0.02 0.00 -0.27 0.00 0.00 36.82 38.11 3hhc h ILE 96 CO 0.06 0.00 -0.91 0.25 -1.05 0.00 0.00 178.15 176.50 3hhc h LEU 97 N 0.00 0.62 -0.31 0.16 6.46 -1.23 -2.64 115.31 118.37 3hhc h LEU 97 Ca 0.00 -0.86 0.02 0.00 -0.12 0.00 0.00 57.88 56.92 3hhc h LEU 97 Cb 0.33 -0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.04 3hhc h LEU 97 CO 0.00 1.43 0.14 -1.28 -0.62 0.00 0.00 178.44 178.11 3hhc h SER 98 N -0.09 0.20 -0.87 1.25 0.87 -0.55 -0.41 113.55 113.95 3hhc h SER 98 Ca -0.14 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.42 3hhc h SER 98 Cb 1.66 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.56 3hhc h SER 98 CO 0.17 0.16 0.51 1.56 -0.53 0.00 0.00 176.83 178.70 3hhc h GLN 99 N 0.30 1.20 0.43 2.24 1.08 -1.57 -2.45 115.11 116.35 3hhc h GLN 99 Ca 0.13 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.19 3hhc h GLN 99 Cb 0.06 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.25 3hhc h GLN 99 CO -0.10 0.86 -0.21 1.25 -0.95 0.00 0.00 178.83 179.68 3hhc h LEU 100 N 1.22 -0.49 -1.65 1.46 5.85 -0.92 -2.37 115.31 118.40 3hhc h LEU 100 Ca 0.31 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 59.10 3hhc h LEU 100 Cb -0.02 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3hhc h LEU 100 CO -0.06 -0.30 0.38 0.03 -0.34 0.00 0.00 178.44 178.15 3hhc h ARG 101 N -0.64 0.39 -1.12 1.25 3.08 -1.07 -1.23 114.38 115.04 3hhc h ARG 101 Ca -0.06 -0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.80 3hhc h ARG 101 Cb 0.48 -0.09 -0.10 0.00 0.08 0.00 0.00 29.97 30.34 3hhc h ARG 101 CO 0.10 0.26 0.22 0.00 -1.07 0.00 0.00 179.97 179.47 3hhc n ALA 102 N -2.52 3.69 -0.30 0.04 0.00 -0.90 -3.29 120.51 117.22 3hhc n ALA 102 Ca 0.09 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.59 3hhc n ALA 102 Cb 0.34 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3hhc n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hhc s ILE 104 N 0.00 4.10 0.00 0.00 1.01 -1.09 -5.03 121.20 120.19 3hhc s ILE 104 Ca 0.00 1.69 0.00 0.00 0.00 0.00 0.00 60.65 62.34 3hhc s ILE 104 Cb 0.00 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.55 3hhc s ILE 104 CO 0.00 0.09 0.00 1.67 0.00 0.00 0.00 174.94 176.70 3hhc n GLN 105 N 0.38 0.00 -0.27 2.79 -0.06 -1.26 -5.05 117.38 113.91 3hhc n GLN 105 Ca 0.03 0.00 -0.29 0.00 -2.00 0.00 0.00 57.00 54.74 3hhc n GLN 105 Cb 0.50 0.00 0.28 0.00 -4.06 0.00 0.00 30.24 26.96 3hhc n GLN 105 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 3hhc n PRO 106 N 0.00 -4.48 0.00 3.69 -0.02 -1.26 -5.08 135.00 127.85 3hhc n PRO 106 Ca 0.00 -1.33 0.00 0.00 -2.02 0.00 0.00 63.50 60.15 3hhc n PRO 106 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3hhc n PRO 106 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hhc n ALA 110 N -5.65 0.00 -1.00 3.55 0.00 -1.26 -5.01 120.51 111.14 3hhc n ALA 110 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3hhc n ALA 110 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3hhc n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hhc n GLY 111 N 0.00 -2.05 0.13 0.00 0.00 -1.26 -4.91 105.19 97.09 3hhc n GLY 111 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 3hhc n GLY 111 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hhc h PRO 112 N 0.00 0.00 -0.61 1.61 0.11 -2.06 -3.42 132.00 127.63 3hhc h PRO 112 Ca 0.00 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.19 3hhc h PRO 112 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 3hhc h PRO 112 CO 0.00 0.35 0.26 0.00 -0.21 0.00 0.00 178.00 178.39 3hhc h ARG 113 N 0.00 0.45 -0.68 1.05 3.08 -2.01 -0.75 114.38 115.52 3hhc h ARG 113 Ca -0.05 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 3hhc h ARG 113 Cb 1.38 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.30 3hhc h ARG 113 CO 0.05 0.30 0.21 1.15 -1.07 0.00 0.00 179.97 180.61 3hhc h THR 114 N 0.47 1.25 -0.87 2.04 2.02 -1.92 -3.11 112.91 112.79 3hhc h THR 114 Ca 0.30 -0.86 -0.02 0.00 0.77 0.00 0.00 66.41 66.60 3hhc h THR 114 Cb 0.32 0.50 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 3hhc h THR 114 CO -0.27 0.34 0.47 0.08 0.37 0.00 0.00 175.52 176.51 3hhc h ARG 115 N 1.01 1.22 -0.81 6.66 0.11 -1.50 0.68 114.38 121.75 3hhc h ARG 115 Ca 0.22 -0.14 -0.03 0.00 0.10 0.00 0.00 59.98 60.13 3hhc h ARG 115 Cb 0.29 -0.24 -0.04 0.00 1.11 0.00 0.00 29.97 31.09 3hhc h ARG 115 CO -0.01 0.89 0.40 0.78 0.10 0.00 0.00 179.97 182.13 3hhc h GLY 116 N 1.23 1.24 1.04 0.08 0.00 -1.26 1.08 103.07 106.48 3hhc h GLY 116 Ca 0.31 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 3hhc h GLY 116 CO -0.05 0.58 0.30 -0.09 0.00 0.00 0.00 176.54 177.28 3hhc h ARG 117 N 1.14 1.12 -0.02 4.80 2.43 -1.25 0.26 114.38 122.86 3hhc h ARG 117 Ca 0.28 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3hhc h ARG 117 Cb 0.10 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3hhc h ARG 117 CO -0.04 0.91 -0.02 1.25 -1.51 0.00 0.00 179.97 180.57 3hhc h LEU 118 N 1.08 0.05 -0.98 3.80 5.85 -0.14 -2.74 115.31 122.22 3hhc h LEU 118 Ca 0.25 -0.47 0.03 0.00 0.84 0.00 0.00 57.88 58.53 3hhc h LEU 118 Cb 0.21 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3hhc h LEU 118 CO -0.02 0.51 0.64 -0.74 -0.34 0.00 0.00 178.44 178.49 3hhc h HIS 119 N -0.41 1.21 -0.31 1.25 2.76 0.13 0.23 115.15 120.00 3hhc h HIS 119 Ca 0.00 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.14 3hhc h HIS 119 Cb 0.49 -0.41 -0.02 0.00 1.55 0.00 0.00 27.41 29.03 3hhc h HIS 119 CO 0.09 0.72 -0.09 1.25 -1.30 0.00 0.00 177.93 178.59 3hhc h HIS 120 N 1.27 0.56 0.22 5.26 -0.00 -0.97 0.29 115.15 121.77 3hhc h HIS 120 Ca 0.38 -0.08 -0.32 0.00 -0.00 0.00 0.00 60.37 60.35 3hhc h HIS 120 Cb -0.04 -0.15 0.03 0.00 -0.00 0.00 0.00 27.41 27.25 3hhc h HIS 120 CO -0.00 0.61 -1.41 2.35 -0.00 0.00 0.00 177.93 179.47 3hhc h TRP 121 N 0.49 0.90 -0.29 5.26 7.01 -1.05 -2.24 115.95 126.03 3hhc h TRP 121 Ca 0.09 -0.64 -0.15 0.00 2.11 0.00 0.00 58.89 60.30 3hhc h TRP 121 Cb 0.46 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.48 3hhc h TRP 121 CO 0.02 1.50 -0.42 -0.07 -2.79 0.00 0.00 178.44 176.68 3hhc h LEU 122 N 0.15 0.87 -0.62 0.65 -0.00 -0.40 -3.09 115.31 112.86 3hhc h LEU 122 Ca -0.23 -0.51 -0.14 0.00 -0.00 0.00 0.00 57.88 57.01 3hhc h LEU 122 Cb 2.11 -0.25 -0.01 0.00 -0.00 0.00 0.00 40.66 42.51 3hhc h LEU 122 CO 0.26 1.21 -0.39 -0.74 -0.00 0.00 0.00 178.44 178.77 3hhc h HIS 123 N 0.55 0.76 0.00 1.13 2.76 -0.53 -2.71 115.15 117.11 3hhc h HIS 123 Ca 0.03 -0.22 0.00 0.00 -2.20 0.00 0.00 60.37 57.98 3hhc h HIS 123 Cb 1.02 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.81 3hhc h HIS 123 CO 0.08 0.93 0.00 -2.13 -1.30 0.00 0.00 177.93 175.51 3hhc n ARG 124 N -4.04 0.53 -0.00 5.26 0.00 -0.84 -1.48 116.66 116.08 3hhc n ARG 124 Ca -0.02 0.03 0.08 0.00 -0.00 0.00 0.00 57.85 57.95 3hhc n ARG 124 Cb 0.52 -1.50 -0.11 0.00 0.00 0.00 0.00 32.46 31.37 3hhc n ARG 124 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3hhc n LEU 125 N -1.10 0.45 0.08 6.15 4.77 -1.04 -4.04 117.00 122.28 3hhc n LEU 125 Ca 0.14 -0.28 -0.16 0.00 -0.03 0.00 0.00 56.01 55.68 3hhc n LEU 125 Cb 0.10 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 3hhc n LEU 125 CO 0.13 0.11 -0.17 1.56 -1.33 0.00 0.00 177.39 177.69 3hhc h GLN 126 N 0.00 0.24 0.00 3.23 4.20 -1.14 -3.21 115.11 118.44 3hhc h GLN 126 Ca 0.00 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.27 3hhc h GLN 126 Cb 0.56 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 3hhc h GLN 126 CO 0.00 1.15 -0.13 0.93 -0.67 0.00 0.00 178.83 180.11 3hhc h GLU 127 N 0.07 0.00 -0.12 1.46 5.08 -1.65 -3.37 114.58 116.05 3hhc h GLU 127 Ca -0.18 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3hhc h GLU 127 Cb 1.98 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.20 3hhc h GLU 127 CO 0.18 0.13 -0.23 0.00 -1.00 0.00 0.00 179.01 178.09 3hhc h ALA 128 N 1.87 -0.56 -0.01 3.43 0.00 -1.69 0.52 119.26 122.82 3hhc h ALA 128 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hhc h ALA 128 Cb 0.41 0.82 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3hhc h ALA 128 CO 0.02 -0.66 0.02 -1.35 0.00 0.00 0.00 179.25 177.28 3hhc h PRO 129 N -0.20 0.00 0.00 0.00 0.11 -1.79 -1.77 132.00 128.34 3hhc h PRO 129 Ca 0.02 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.76 3hhc h PRO 129 Cb 0.27 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.31 3hhc h PRO 129 CO -0.22 0.00 -2.39 0.36 -0.21 0.00 0.00 178.00 175.54 3hhc n LYS 130 N -3.32 0.68 0.00 1.05 2.85 -0.91 -4.55 118.16 113.96 3hhc n LYS 130 Ca -0.03 0.03 0.09 0.00 -1.05 0.00 0.00 58.31 57.35 3hhc n LYS 130 Cb 0.10 -1.53 -0.04 0.00 -0.65 0.00 0.00 35.03 32.91 3hhc n LYS 130 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 3hhc n LYS 131 N -2.85 1.44 -4.81 -1.58 4.81 0.13 -4.96 118.16 110.34 3hhc n LYS 131 Ca -0.35 -0.57 -0.28 0.00 -0.87 0.00 0.00 58.31 56.24 3hhc n LYS 131 Cb 1.13 -1.34 -0.15 0.00 0.02 0.00 0.00 35.03 34.70 3hhc n LYS 131 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3hhc s GLU 132 N -2.28 1.62 0.47 1.64 0.41 -0.68 -4.95 118.70 114.92 3hhc s GLU 132 Ca 0.12 -1.01 -0.24 0.00 -0.41 0.00 0.00 54.97 53.43 3hhc s GLU 132 Cb 0.14 -1.75 -0.07 0.00 -1.78 0.00 0.00 34.13 30.67 3hhc s GLU 132 CO 0.55 0.45 1.33 -1.54 -0.49 0.00 0.00 175.26 175.56 3hhc s SER 133 N -1.15 5.86 0.31 -0.19 1.04 -1.26 -4.78 113.70 113.52 3hhc s SER 133 Ca 0.10 2.70 0.07 0.00 0.48 0.00 0.00 55.95 59.30 3hhc s SER 133 Cb -0.09 -2.64 0.80 0.00 0.10 0.00 0.00 66.02 64.19 3hhc s SER 133 CO 0.02 -1.17 1.75 -0.65 0.98 0.00 0.00 173.24 174.17 3hhc h PRO 134 N 2.12 0.62 -0.47 4.02 0.11 -1.95 0.55 132.00 136.99 3hhc h PRO 134 Ca -0.50 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.61 3hhc h PRO 134 Cb 1.27 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 3hhc h PRO 134 CO 0.60 0.41 0.23 0.78 -0.21 0.00 0.00 178.00 179.81 3hhc h GLY 135 N 0.64 0.65 0.84 -0.55 0.00 -1.90 0.47 103.07 103.21 3hhc h GLY 135 Ca 0.60 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.76 3hhc h GLY 135 CO -0.44 0.10 -0.30 0.00 0.00 0.00 0.00 176.54 175.89 3hhc h LEU 137 N -0.73 -0.21 -0.75 0.00 3.38 -0.97 0.18 115.31 116.20 3hhc h LEU 137 Ca -0.05 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3hhc h LEU 137 Cb 0.61 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 3hhc h LEU 137 CO 0.04 -0.07 0.49 -0.08 0.09 0.00 0.00 178.44 178.90 3hhc h GLU 138 N 0.12 0.95 -0.42 1.13 4.81 -0.76 -1.99 114.58 118.42 3hhc h GLU 138 Ca 0.26 -0.06 -0.12 0.00 -0.13 0.00 0.00 59.36 59.31 3hhc h GLU 138 Cb 0.40 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3hhc h GLU 138 CO -0.43 0.63 -0.21 0.00 -0.73 0.00 0.00 179.01 178.27 3hhc h ALA 139 N 1.29 0.59 0.13 2.92 0.00 0.07 -2.78 119.26 121.49 3hhc h ALA 139 Ca 0.29 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hhc h ALA 139 Cb -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.59 3hhc h ALA 139 CO -0.08 0.57 -0.06 0.77 0.00 0.00 0.00 179.25 180.45 3hhc h SER 140 N 0.71 -0.15 0.52 0.00 0.02 -0.41 -2.67 113.55 111.58 3hhc h SER 140 Ca 0.09 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3hhc h SER 140 Cb 0.78 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 3hhc h SER 140 CO 0.06 0.01 -0.18 -0.37 -1.14 0.00 0.00 176.83 175.21 3hhc h VAL 141 N -0.30 0.66 0.18 2.27 -1.51 -1.43 -2.10 116.25 114.02 3hhc h VAL 141 Ca -0.02 -0.80 -0.01 0.00 -1.23 0.00 0.00 66.70 64.64 3hhc h VAL 141 Cb 0.24 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 3hhc h VAL 141 CO 0.03 0.18 -0.09 0.74 -1.23 0.00 0.00 177.57 177.20 3hhc h THR 142 N 0.00 0.84 0.00 7.19 2.02 -1.31 -2.24 112.91 119.41 3hhc h THR 142 Ca -0.00 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.10 3hhc h THR 142 Cb 0.49 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3hhc h THR 142 CO 0.02 0.20 -0.21 -0.26 0.37 0.00 0.00 175.52 175.65 3hhc h PHE 143 N -0.83 0.00 0.00 3.16 0.05 -1.45 -2.07 116.94 115.80 3hhc h PHE 143 Ca -0.03 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.76 3hhc h PHE 143 Cb 0.52 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.47 3hhc h PHE 143 CO 0.07 0.21 -0.01 -1.71 -0.18 0.00 0.00 178.31 176.69 3hhc n ASN 144 N -4.03 0.44 0.00 2.17 5.15 -0.80 -4.33 115.26 113.87 3hhc n ASN 144 Ca -0.02 0.53 -0.02 0.00 -0.60 0.00 0.00 54.58 54.47 3hhc n ASN 144 Cb 0.29 -0.64 -0.01 0.00 -0.53 0.00 0.00 39.78 38.89 3hhc n ASN 144 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3hhc h LEU 145 N 0.00 -0.18 -0.55 1.20 3.38 -0.73 -0.65 115.31 117.78 3hhc h LEU 145 Ca 0.00 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.10 3hhc h LEU 145 Cb 0.63 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.34 3hhc h LEU 145 CO 0.00 -0.05 -0.19 0.15 0.09 0.00 0.00 178.44 178.43 3hhc h PHE 146 N -0.07 -0.46 -0.28 1.13 3.04 -1.78 0.30 116.94 118.84 3hhc h PHE 146 Ca 0.00 0.05 0.02 0.00 3.98 0.00 0.00 57.97 62.03 3hhc h PHE 146 Cb 0.07 0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 3hhc h PHE 146 CO -0.43 -0.29 0.19 -0.09 -2.02 0.00 0.00 178.31 175.67 3hhc h ARG 147 N -0.06 0.27 -0.07 1.11 2.43 -1.78 -0.99 114.38 115.29 3hhc h ARG 147 Ca 0.26 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.34 3hhc h ARG 147 Cb 0.46 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3hhc h ARG 147 CO -0.59 0.18 -0.24 1.25 -1.51 0.00 0.00 179.97 179.05 3hhc h LEU 148 N 0.27 0.34 -0.36 3.80 6.46 0.11 -1.77 115.31 124.17 3hhc h LEU 148 Ca 0.11 -0.62 -0.19 0.00 -0.12 0.00 0.00 57.88 57.07 3hhc h LEU 148 Cb 0.11 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.93 3hhc h LEU 148 CO -0.02 0.90 -0.82 -0.07 -0.62 0.00 0.00 178.44 177.80 3hhc h LEU 149 N -0.20 0.23 0.00 2.25 3.38 -0.78 -0.19 115.31 120.00 3hhc h LEU 149 Ca -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3hhc h LEU 149 Cb 0.87 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3hhc h LEU 149 CO 0.05 0.95 0.00 0.35 0.09 0.00 0.00 178.44 179.88 3hhc n THR 150 N -3.68 0.00 0.22 0.22 -2.24 -0.41 -4.27 114.28 104.12 3hhc n THR 150 Ca -0.03 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.64 3hhc n THR 150 Cb 0.77 -0.44 -0.05 0.00 -2.10 0.00 0.00 70.33 68.51 3hhc n THR 150 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3hhc h ARG 151 N 0.00 -0.61 -0.43 -0.78 2.43 -1.73 -1.66 114.38 111.60 3hhc h ARG 151 Ca 0.00 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3hhc h ARG 151 Cb 0.00 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 3hhc h ARG 151 CO 0.00 -0.41 0.15 -0.44 -1.51 0.00 0.00 179.97 177.76 3hhc h ASP 152 N -0.64 0.16 -0.08 -3.80 3.32 -1.44 -2.02 116.42 111.94 3hhc h ASP 152 Ca -0.05 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3hhc h ASP 152 Cb 0.52 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 3hhc h ASP 152 CO 0.04 0.13 -0.01 0.25 -1.72 0.00 0.00 179.24 177.93 3hhc h LEU 153 N 0.32 0.14 -1.09 1.55 5.85 -1.07 -3.14 115.31 117.87 3hhc h LEU 153 Ca 0.20 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.62 3hhc h LEU 153 Cb 0.19 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3hhc h LEU 153 CO -0.20 0.44 0.62 -1.13 -0.34 0.00 0.00 178.44 177.83 3hhc h ASN 154 N -0.16 1.02 -0.43 1.25 -1.24 -1.14 -2.74 115.58 112.13 3hhc h ASN 154 Ca 0.02 -0.01 0.08 0.00 0.71 0.00 0.00 56.30 57.10 3hhc h ASN 154 Cb 0.37 -0.23 -0.07 0.00 0.73 0.00 0.00 38.32 39.12 3hhc h ASN 154 CO 0.01 0.70 0.01 0.00 -1.29 0.00 0.00 177.43 176.85 3hhc h VAL 156 N 0.12 1.35 -0.53 0.00 2.07 -1.50 -3.04 116.25 114.72 3hhc h VAL 156 Ca 0.22 -1.79 -0.08 0.00 0.82 0.00 0.00 66.70 65.87 3hhc h VAL 156 Cb 0.31 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3hhc h VAL 156 CO -0.35 0.53 0.01 0.00 0.02 0.00 0.00 177.57 177.77 3hhc h ALA 157 N 1.26 1.01 -0.97 1.67 0.00 -1.22 -3.15 119.26 117.86 3hhc h ALA 157 Ca 0.01 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.74 3hhc h ALA 157 Cb 0.99 -0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 3hhc h ALA 157 CO 0.08 0.61 0.62 0.77 0.00 0.00 0.00 179.25 181.33 3hhc h SER 158 N 0.83 0.90 0.00 0.00 0.02 -1.25 -3.39 113.55 110.67 3hhc h SER 158 Ca 0.16 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3hhc h SER 158 Cb 0.49 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3hhc h SER 158 CO 0.02 0.50 0.00 0.61 -1.14 0.00 0.00 176.83 176.83 3hhc n GLY 159 N -1.37 2.11 0.00 -3.77 0.00 -1.19 -4.27 105.19 96.70 3hhc n GLY 159 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.87 3hhc n GLY 159 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hhc n ASP 160 N 3.05 2.76 -1.44 1.61 3.85 -1.26 -4.85 116.55 120.27 3hhc n ASP 160 Ca 0.00 0.00 -0.05 0.00 -0.71 0.00 0.00 54.79 54.03 3hhc n ASP 160 Cb 0.00 0.28 0.15 0.00 -1.35 0.00 0.00 41.12 40.20 3hhc n ASP 160 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hhc n LEU 161 N -1.31 4.24 -4.12 -2.12 -0.00 -1.26 -4.60 117.00 107.83 3hhc n LEU 161 Ca 0.00 -2.20 -0.44 0.00 -0.00 0.00 0.00 56.01 53.38 3hhc n LEU 161 Cb 0.27 -0.64 0.01 0.00 -0.00 0.00 0.00 43.42 43.06 3hhc n LEU 161 CO 0.00 0.63 1.21 0.00 -0.00 0.00 0.00 177.39 179.23