#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6p h HIS 15 N 0.00 0.82 0.00 0.66 -0.00 -2.05 0.18 115.15 114.76 3h6p h HIS 15 Ca 0.00 -0.58 -0.16 0.00 -0.00 0.00 0.00 60.37 59.63 3h6p h HIS 15 Cb 0.00 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 3h6p h HIS 15 CO 0.00 1.45 -0.77 1.79 -0.00 0.00 0.00 177.93 180.40 3h6p h THR 16 N 0.14 1.53 -0.11 2.45 1.35 -2.05 0.01 112.91 116.24 3h6p h THR 16 Ca -0.20 -2.64 -0.01 0.00 -0.55 0.00 0.00 66.41 63.01 3h6p h THR 16 Cb 2.06 2.43 -0.00 0.00 -1.73 0.00 0.00 68.15 70.90 3h6p h THR 16 CO 0.25 0.75 0.04 0.00 -0.25 0.00 0.00 175.52 176.30 3h6p h ALA 17 N 1.23 0.14 -0.45 6.62 0.00 -1.98 -0.70 119.26 124.12 3h6p h ALA 17 Ca -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3h6p h ALA 17 Cb 1.37 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3h6p h ALA 17 CO 0.10 -0.25 0.26 0.35 0.00 0.00 0.00 179.25 179.71 3h6p h PHE 18 N 0.00 0.49 -0.69 0.00 3.57 -0.53 -2.28 116.94 117.50 3h6p h PHE 18 Ca 0.04 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.60 3h6p h PHE 18 Cb 0.20 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 3h6p h PHE 18 CO -0.01 0.28 0.41 0.00 -2.23 0.00 0.00 178.31 176.76 3h6p h ALA 19 N 1.20 0.92 -0.41 2.41 0.00 -0.89 0.17 119.26 122.67 3h6p h ALA 19 Ca 0.18 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3h6p h ALA 19 Cb 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3h6p h ALA 19 CO -0.09 0.13 0.18 0.00 0.00 0.00 0.00 179.25 179.47 3h6p h ALA 20 N 1.33 0.50 -0.14 0.00 0.00 -0.88 -1.06 119.26 119.01 3h6p h ALA 20 Ca 0.30 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 55.03 3h6p h ALA 20 Cb 0.12 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.89 3h6p h ALA 20 CO -0.15 -0.19 -0.72 0.87 0.00 0.00 0.00 179.25 179.06 3h6p h LYS 21 N 0.37 0.73 -0.57 0.00 1.57 -0.80 -1.88 116.57 115.99 3h6p h LYS 21 Ca 0.18 -0.60 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 3h6p h LYS 21 Cb 0.11 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3h6p h LYS 21 CO -0.15 1.21 0.35 0.00 -0.57 0.00 0.00 179.45 180.30 3h6p h ALA 22 N 0.52 0.72 -0.52 3.86 0.00 -0.59 -0.62 119.26 122.63 3h6p h ALA 22 Ca -0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3h6p h ALA 22 Cb 1.36 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3h6p h ALA 22 CO 0.15 0.19 0.25 0.78 0.00 0.00 0.00 179.25 180.62 3h6p h GLY 23 N 0.77 0.81 1.06 0.00 0.00 -1.15 -1.20 103.07 103.36 3h6p h GLY 23 Ca 0.21 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 3h6p h GLY 23 CO -0.04 0.38 0.10 -2.00 0.00 0.00 0.00 176.54 174.98 3h6p h LEU 24 N 0.70 1.04 -0.42 3.11 5.85 -1.18 -0.69 115.31 123.73 3h6p h LEU 24 Ca 0.18 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3h6p h LEU 24 Cb 0.12 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3h6p h LEU 24 CO -0.02 1.04 0.25 -0.03 -0.34 0.00 0.00 178.44 179.34 3h6p h MET 25 N 1.01 0.57 -0.50 1.25 4.05 -0.84 0.12 114.93 120.58 3h6p h MET 25 Ca 0.20 -0.06 -0.04 0.00 -0.28 0.00 0.00 59.70 59.53 3h6p h MET 25 Cb 0.45 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 3h6p h MET 25 CO 0.01 0.43 0.18 0.00 0.23 0.00 0.00 176.91 177.77 3h6p h ARG 26 N 0.55 0.77 -0.29 0.39 3.08 -1.02 -1.19 114.38 116.67 3h6p h ARG 26 Ca 0.15 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h6p h ARG 26 Cb 0.01 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 3h6p h ARG 26 CO -0.03 0.70 0.19 1.25 -1.07 0.00 0.00 179.97 181.01 3h6p h HIS 27 N 0.68 0.36 -0.35 3.04 2.76 -0.99 -2.89 115.15 117.76 3h6p h HIS 27 Ca 0.17 0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.29 3h6p h HIS 27 Cb 0.24 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 3h6p h HIS 27 CO 0.01 0.23 -0.03 1.15 -1.30 0.00 0.00 177.93 178.00 3h6p h THR 28 N 0.39 1.21 -0.46 6.26 2.02 -0.52 -1.32 112.91 120.48 3h6p h THR 28 Ca 0.10 -0.87 -0.03 0.00 0.77 0.00 0.00 66.41 66.39 3h6p h THR 28 Cb -0.04 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3h6p h THR 28 CO -0.02 0.30 0.17 0.40 0.37 0.00 0.00 175.52 176.74 3h6p h ILE 29 N 0.53 1.21 -0.70 3.11 2.04 -1.09 0.41 117.51 123.02 3h6p h ILE 29 Ca 0.11 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.25 3h6p h ILE 29 Cb 0.38 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3h6p h ILE 29 CO 0.02 0.24 0.21 1.23 0.00 0.00 0.00 178.15 179.85 3h6p h GLY 30 N 0.60 1.18 0.84 5.37 0.00 -1.24 -1.67 103.07 108.15 3h6p h GLY 30 Ca 0.15 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 3h6p h GLY 30 CO -0.01 0.66 -0.00 1.46 0.00 0.00 0.00 176.54 178.64 3h6p h GLN 31 N 1.04 0.42 -0.66 4.80 1.08 -1.02 -2.10 115.11 118.66 3h6p h GLN 31 Ca 0.23 -0.14 0.06 0.00 -1.45 0.00 0.00 58.65 57.35 3h6p h GLN 31 Cb 0.31 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.65 3h6p h GLN 31 CO -0.01 0.61 0.36 0.00 -0.95 0.00 0.00 178.83 178.84 3h6p h ALA 32 N 0.80 0.89 0.07 3.87 0.00 -0.84 -0.41 119.26 123.65 3h6p h ALA 32 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3h6p h ALA 32 Cb 0.42 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3h6p h ALA 32 CO 0.01 0.03 -0.08 1.49 0.00 0.00 0.00 179.25 180.70 3h6p h GLU 33 N 0.66 -0.16 -0.54 0.00 4.81 -1.19 -0.88 114.58 117.29 3h6p h GLU 33 Ca 0.30 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 3h6p h GLU 33 Cb 0.21 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3h6p h GLU 33 CO -0.19 -0.11 0.26 1.96 -0.73 0.00 0.00 179.01 180.20 3h6p h GLN 34 N -0.17 0.77 -0.61 1.92 1.08 -1.10 -1.52 115.11 115.49 3h6p h GLN 34 Ca 0.01 -0.11 0.04 0.00 -1.45 0.00 0.00 58.65 57.14 3h6p h GLN 34 Cb 0.17 -0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 27.41 3h6p h GLN 34 CO -0.03 0.63 0.35 0.37 -0.95 0.00 0.00 178.83 179.20 3h6p h GLN 35 N 0.72 0.65 -0.33 1.46 -0.00 -1.01 -1.66 115.11 114.94 3h6p h GLN 35 Ca 0.18 -0.04 -0.14 0.00 -0.00 0.00 0.00 58.65 58.65 3h6p h GLN 35 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 27.44 3h6p h GLN 35 CO -0.02 0.43 -0.36 0.00 0.00 0.00 0.00 178.83 178.87 3h6p h ALA 36 N 1.30 0.73 -0.45 3.38 0.00 -0.90 0.24 119.26 123.58 3h6p h ALA 36 Ca 0.26 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3h6p h ALA 36 Cb 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3h6p h ALA 36 CO -0.15 0.66 0.11 0.52 0.00 0.00 0.00 179.25 180.39 3h6p h MET 37 N 0.64 0.71 -0.68 0.00 2.86 -1.13 -1.63 114.93 115.70 3h6p h MET 37 Ca 0.06 -0.17 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 3h6p h MET 37 Cb 0.91 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 3h6p h MET 37 CO 0.08 0.71 0.22 1.03 1.06 0.00 0.00 176.91 180.01 3h6p h SER 38 N 0.59 0.98 -0.66 1.22 0.87 -1.21 -2.37 113.55 112.98 3h6p h SER 38 Ca 0.14 -0.20 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 3h6p h SER 38 Cb 0.32 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.99 3h6p h SER 38 CO 0.00 0.93 0.27 0.00 -0.53 0.00 0.00 176.83 177.50 3h6p h ALA 39 N 1.10 0.85 -0.25 6.23 0.00 -0.75 -1.05 119.26 125.38 3h6p h ALA 39 Ca 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3h6p h ALA 39 Cb 0.29 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3h6p h ALA 39 CO -0.01 0.46 0.06 0.37 0.00 0.00 0.00 179.25 180.14 3h6p h GLN 40 N 0.93 0.40 -0.66 0.00 5.75 -1.25 0.88 115.11 121.15 3h6p h GLN 40 Ca 0.22 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.65 3h6p h GLN 40 Cb 0.19 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.65 3h6p h GLN 40 CO -0.02 0.50 0.42 0.00 -2.65 0.00 0.00 178.83 177.08 3h6p h ALA 41 N 0.89 0.86 -0.36 3.38 0.00 -1.30 -0.02 119.26 122.70 3h6p h ALA 41 Ca 0.08 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3h6p h ALA 41 Cb 0.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3h6p h ALA 41 CO 0.00 0.20 0.09 0.35 0.00 0.00 0.00 179.25 179.89 3h6p h PHE 42 N 0.84 0.61 -0.81 0.00 3.57 -1.01 -1.87 116.94 118.25 3h6p h PHE 42 Ca 0.26 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 3h6p h PHE 42 Cb -0.02 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 3h6p h PHE 42 CO -0.04 0.60 0.36 0.45 -2.23 0.00 0.00 178.31 177.45 3h6p h HIS 43 N 0.43 1.20 -0.51 0.41 3.86 -0.37 0.92 115.15 121.09 3h6p h HIS 43 Ca 0.11 -0.07 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 3h6p h HIS 43 Cb 0.30 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.38 3h6p h HIS 43 CO 0.02 0.88 0.15 1.96 0.86 0.00 0.00 177.93 181.80 3h6p h GLN 44 N 1.17 0.80 -0.65 2.45 1.08 -0.89 -0.95 115.11 118.12 3h6p h GLN 44 Ca 0.28 -0.18 -0.05 0.00 -1.45 0.00 0.00 58.65 57.25 3h6p h GLN 44 Cb 0.16 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 3h6p h GLN 44 CO -0.03 0.75 0.22 0.78 -0.95 0.00 0.00 178.83 179.60 3h6p h GLY 45 N 0.70 1.07 0.89 3.46 0.00 -1.03 -1.98 103.07 106.18 3h6p h GLY 45 Ca 0.16 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 3h6p h GLY 45 CO -0.00 0.58 0.07 -2.09 0.00 0.00 0.00 176.54 175.10 3h6p h GLU 46 N 0.93 0.47 -0.51 4.80 4.81 -0.68 -0.57 114.58 123.83 3h6p h GLU 46 Ca 0.21 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3h6p h GLU 46 Cb 0.27 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3h6p h GLU 46 CO -0.01 0.54 0.30 1.03 -0.73 0.00 0.00 179.01 180.15 3h6p h SER 47 N 0.31 0.62 -0.34 1.04 0.87 -1.15 -0.87 113.55 114.02 3h6p h SER 47 Ca 0.09 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.55 3h6p h SER 47 Cb 0.28 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 3h6p h SER 47 CO 0.00 0.50 0.04 0.00 -0.53 0.00 0.00 176.83 176.84 3h6p h ALA 48 N 1.14 0.46 -0.61 6.23 0.00 -1.24 -1.64 119.26 123.60 3h6p h ALA 48 Ca 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3h6p h ALA 48 Cb -0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3h6p h ALA 48 CO -0.03 0.18 0.35 0.00 0.00 0.00 0.00 179.25 179.75 3h6p h ALA 49 N 0.89 0.77 -0.50 0.00 0.00 -0.98 -0.66 119.26 118.79 3h6p h ALA 49 Ca 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3h6p h ALA 49 Cb 0.38 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3h6p h ALA 49 CO 0.01 0.27 0.19 0.00 0.00 0.00 0.00 179.25 179.72 3h6p h ALA 50 N 1.17 0.65 -0.21 0.00 0.00 -1.10 -1.78 119.26 117.98 3h6p h ALA 50 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3h6p h ALA 50 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3h6p h ALA 50 CO -0.04 0.26 0.05 0.35 0.00 0.00 0.00 179.25 179.87 3h6p h PHE 51 N 0.66 0.36 -0.73 0.00 3.57 -1.08 -1.92 116.94 117.81 3h6p h PHE 51 Ca 0.17 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3h6p h PHE 51 Cb 0.20 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.79 3h6p h PHE 51 CO 0.01 0.46 0.44 0.37 -2.23 0.00 0.00 178.31 177.36 3h6p h GLN 52 N 0.16 0.82 -0.16 1.11 -0.00 -0.99 0.33 115.11 116.38 3h6p h GLN 52 Ca 0.07 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 3h6p h GLN 52 Cb 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 27.48 27.57 3h6p h GLN 52 CO 0.00 0.54 0.05 0.78 0.00 0.00 0.00 178.83 180.21 3h6p h GLY 53 N 0.85 0.27 1.04 2.39 0.00 -1.24 -0.50 103.07 105.88 3h6p h GLY 53 Ca 0.30 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.40 3h6p h GLY 53 CO -0.14 0.15 0.11 0.00 0.00 0.00 0.00 176.54 176.67 3h6p h ALA 54 N 0.87 0.82 -0.69 3.60 0.00 -0.99 -1.57 119.26 121.29 3h6p h ALA 54 Ca 0.05 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3h6p h ALA 54 Cb 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3h6p h ALA 54 CO -0.00 0.57 0.44 1.25 0.00 0.00 0.00 179.25 181.51 3h6p h HIS 55 N 0.93 0.88 -0.86 0.00 -0.00 -0.26 0.78 115.15 116.62 3h6p h HIS 55 Ca 0.19 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.56 3h6p h HIS 55 Cb 0.41 -0.29 -0.04 0.00 -0.00 0.00 0.00 27.41 27.49 3h6p h HIS 55 CO 0.03 0.57 0.48 0.00 -0.00 0.00 0.00 177.93 179.00 3h6p h ALA 56 N 1.24 1.21 -0.60 5.26 0.00 -0.81 -0.66 119.26 124.90 3h6p h ALA 56 Ca 0.25 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3h6p h ALA 56 Cb -0.08 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.34 3h6p h ALA 56 CO -0.05 0.64 0.02 0.00 0.00 0.00 0.00 179.25 179.86 3h6p h ARG 57 N 1.21 1.05 -0.19 0.00 3.08 -0.73 -2.19 114.38 116.61 3h6p h ARG 57 Ca 0.30 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 3h6p h ARG 57 Cb 0.02 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3h6p h ARG 57 CO -0.05 1.02 0.09 0.35 -1.07 0.00 0.00 179.97 180.31 3h6p h PHE 58 N 0.95 0.27 -0.71 3.04 3.57 -0.49 -1.46 116.94 122.11 3h6p h PHE 58 Ca 0.17 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.69 3h6p h PHE 58 Cb 0.53 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 3h6p h PHE 58 CO 0.04 0.29 0.44 0.28 -2.23 0.00 0.00 178.31 177.13 3h6p h VAL 59 N 0.18 1.10 -0.68 1.41 2.07 -1.05 0.11 116.25 119.38 3h6p h VAL 59 Ca 0.06 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 3h6p h VAL 59 Cb 0.12 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 3h6p h VAL 59 CO -0.01 0.16 0.24 0.00 0.02 0.00 0.00 177.57 177.98 3h6p h ALA 60 N 1.30 0.89 -0.38 1.67 0.00 -1.21 -1.00 119.26 120.53 3h6p h ALA 60 Ca 0.28 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 3h6p h ALA 60 Cb 0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3h6p h ALA 60 CO -0.11 0.54 -0.37 0.00 0.00 0.00 0.00 179.25 179.31 3h6p h ALA 61 N 1.11 0.55 -0.81 0.00 0.00 -0.94 -1.77 119.26 117.40 3h6p h ALA 61 Ca 0.22 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3h6p h ALA 61 Cb 0.26 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3h6p h ALA 61 CO -0.01 0.64 0.45 0.00 0.00 0.00 0.00 179.25 180.33 3h6p h ALA 62 N 0.77 1.04 -0.66 0.00 0.00 -0.64 -0.37 119.26 119.39 3h6p h ALA 62 Ca 0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3h6p h ALA 62 Cb 0.96 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3h6p h ALA 62 CO 0.09 0.54 0.19 0.00 0.00 0.00 0.00 179.25 180.07 3h6p h ALA 63 N 1.24 0.87 -0.25 0.00 0.00 -1.03 -0.49 119.26 119.60 3h6p h ALA 63 Ca 0.29 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.98 3h6p h ALA 63 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3h6p h ALA 63 CO -0.05 0.57 0.15 -0.22 0.00 0.00 0.00 179.25 179.70 3h6p h LYS 64 N 0.97 0.30 -0.01 0.00 3.64 -1.02 0.39 116.57 120.84 3h6p h LYS 64 Ca 0.21 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3h6p h LYS 64 Cb 0.33 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3h6p h LYS 64 CO -0.00 0.20 -0.07 0.28 -2.27 0.00 0.00 179.45 177.59 3h6p h VAL 65 N 0.31 0.82 -0.76 2.00 2.07 -0.92 -0.80 116.25 118.97 3h6p h VAL 65 Ca 0.10 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.66 3h6p h VAL 65 Cb -0.01 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 3h6p h VAL 65 CO -0.04 0.00 0.47 0.78 0.02 0.00 0.00 177.57 178.80 3h6p h ASN 66 N -0.12 0.74 -0.29 0.57 2.35 -1.00 0.08 115.58 117.91 3h6p h ASN 66 Ca 0.03 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.82 3h6p h ASN 66 Cb 0.16 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3h6p h ASN 66 CO -0.08 0.49 0.10 0.74 -1.65 0.00 0.00 177.43 177.04 3h6p h THR 67 N 0.88 0.92 -0.44 2.81 2.02 -0.68 -0.50 112.91 117.92 3h6p h THR 67 Ca 0.32 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.33 3h6p h THR 67 Cb 0.11 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3h6p h THR 67 CO -0.15 0.04 -0.11 -0.07 0.37 0.00 0.00 175.52 175.61 3h6p h LEU 68 N 0.24 0.79 -0.65 2.58 3.38 -0.76 -1.62 115.31 119.26 3h6p h LEU 68 Ca 0.13 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3h6p h LEU 68 Cb 0.10 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3h6p h LEU 68 CO -0.13 0.92 0.17 -0.07 0.09 0.00 0.00 178.44 179.42 3h6p h LEU 69 N 0.72 0.99 -0.18 1.67 3.38 -0.75 -0.87 115.31 120.27 3h6p h LEU 69 Ca 0.12 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3h6p h LEU 69 Cb 0.60 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3h6p h LEU 69 CO 0.04 0.96 -0.04 0.44 0.09 0.00 0.00 178.44 179.92 3h6p h ASP 70 N 0.97 -0.16 -0.36 -0.43 3.32 -0.77 -0.61 116.42 118.37 3h6p h ASP 70 Ca 0.21 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.34 3h6p h ASP 70 Cb 0.35 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 3h6p h ASP 70 CO 0.00 -0.06 0.17 0.40 -1.72 0.00 0.00 179.24 178.03 3h6p h ILE 71 N 0.00 0.96 -0.51 0.35 2.04 -1.21 -0.64 117.51 118.51 3h6p h ILE 71 Ca 0.09 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3h6p h ILE 71 Cb 0.13 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3h6p h ILE 71 CO -0.18 0.06 0.17 0.00 0.00 0.00 0.00 178.15 178.20 3h6p h ALA 72 N 1.20 0.66 -0.39 1.87 0.00 -0.94 0.17 119.26 121.83 3h6p h ALA 72 Ca 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3h6p h ALA 72 Cb 0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3h6p h ALA 72 CO -0.12 0.30 0.17 1.96 0.00 0.00 0.00 179.25 181.56 3h6p h GLN 73 N 0.68 0.57 -0.65 0.00 4.20 -1.04 -0.52 115.11 118.36 3h6p h GLN 73 Ca 0.16 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3h6p h GLN 73 Cb 0.25 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 3h6p h GLN 73 CO -0.01 0.53 0.39 0.00 -0.67 0.00 0.00 178.83 179.06 3h6p h ALA 74 N 1.02 0.83 -0.03 3.87 0.00 -0.95 0.06 119.26 124.05 3h6p h ALA 74 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3h6p h ALA 74 Cb 0.16 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3h6p h ALA 74 CO -0.01 0.31 -0.01 -0.91 0.00 0.00 0.00 179.25 178.62 3h6p h ASN 75 N 0.88 0.06 0.41 0.00 4.21 -0.82 -3.19 115.58 117.12 3h6p h ASN 75 Ca 0.23 -0.43 -0.12 0.00 1.21 0.00 0.00 56.30 57.19 3h6p h ASN 75 Cb -0.01 -0.02 -0.01 0.00 -1.12 0.00 0.00 38.32 37.16 3h6p h ASN 75 CO -0.04 0.47 -0.52 -0.07 -1.29 0.00 0.00 177.43 175.98 3h6p h LEU 76 N -0.36 0.14 0.00 1.61 3.38 -1.09 -3.48 115.31 115.52 3h6p h LEU 76 Ca 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3h6p h LEU 76 Cb 0.45 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3h6p h LEU 76 CO 0.00 0.64 0.00 0.61 0.09 0.00 0.00 178.44 179.79 3h6p n GLY 77 N 0.03 4.09 0.24 0.83 0.00 0.00 -1.00 105.19 109.38 3h6p n GLY 77 Ca -0.02 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.28 3h6p n GLY 77 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3h6p h GLU 78 N 0.00 0.00 0.00 1.61 4.81 -1.91 -2.67 114.58 116.41 3h6p h GLU 78 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3h6p h GLU 78 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3h6p h GLU 78 CO 0.00 0.19 0.00 0.00 -0.73 0.00 0.00 179.01 178.47 3h6p n ALA 79 N -2.34 1.56 1.45 2.92 0.00 -0.17 -5.27 120.51 118.65 3h6p n ALA 79 Ca -0.02 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.59 3h6p n ALA 79 Cb 0.29 -1.31 0.69 0.00 0.00 0.00 0.00 19.45 19.13 3h6p n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50