#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d8d h ARG 4 N 0.00 0.79 -0.58 3.44 3.08 -2.05 -0.65 114.38 118.41 2d8d h ARG 4 Ca 0.00 -0.36 -0.10 0.00 0.07 0.00 0.00 59.98 59.59 2d8d h ARG 4 Cb 0.00 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2d8d h ARG 4 CO 0.00 0.98 -0.02 0.82 -1.07 0.00 0.00 179.97 180.68 2d8d h ILE 5 N 0.58 1.27 -0.90 2.04 2.04 -2.05 -1.01 117.51 119.47 2d8d h ILE 5 Ca 0.08 -1.17 -0.00 0.00 1.00 0.00 0.00 64.86 64.77 2d8d h ILE 5 Cb 0.76 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 2d8d h ILE 5 CO 0.06 0.42 0.55 -0.61 0.00 0.00 0.00 178.15 178.57 2d8d h GLN 6 N 0.93 1.22 -0.40 2.37 4.15 -1.96 0.24 115.11 121.66 2d8d h GLN 6 Ca 0.16 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 2d8d h GLN 6 Cb 0.58 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 2d8d h GLN 6 CO 0.03 0.85 0.07 0.00 -1.93 0.00 0.00 178.83 177.85 2d8d h ALA 7 N 1.30 0.53 -0.35 3.38 0.00 -0.78 -2.59 119.26 120.75 2d8d h ALA 7 Ca 0.32 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2d8d h ALA 7 Cb -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2d8d h ALA 7 CO -0.06 0.24 -0.06 -0.07 0.00 0.00 0.00 179.25 179.30 2d8d h LEU 8 N 0.51 0.55 -1.39 0.00 3.38 -0.74 -2.21 115.31 115.42 2d8d h LEU 8 Ca 0.12 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2d8d h LEU 8 Cb 0.37 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2d8d h LEU 8 CO 0.01 0.66 -0.12 0.03 0.09 0.00 0.00 178.44 179.11 2d8d h ARG 9 N 0.54 0.27 -0.53 1.13 3.08 -0.72 -0.38 114.38 117.76 2d8d h ARG 9 Ca 0.11 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 60.01 2d8d h ARG 9 Cb 0.43 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 2d8d h ARG 9 CO 0.02 0.39 -0.00 0.87 -1.07 0.00 0.00 179.97 180.18 2d8d h LYS 10 N 0.25 0.91 -0.36 0.04 1.57 -1.02 0.27 116.57 118.23 2d8d h LYS 10 Ca 0.05 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.45 2d8d h LYS 10 Cb 0.37 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2d8d h LYS 10 CO 0.02 0.90 -0.25 0.93 -0.57 0.00 0.00 179.45 180.48 2d8d h GLU 11 N 0.84 0.74 -0.69 3.15 4.39 -1.07 -2.11 114.58 119.82 2d8d h GLU 11 Ca 0.16 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.47 2d8d h GLU 11 Cb 0.50 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.09 2d8d h GLU 11 CO 0.02 0.92 0.15 0.28 -1.16 0.00 0.00 179.01 179.22 2d8d h VAL 12 N 0.64 1.26 -0.51 3.13 2.07 -0.57 -1.66 116.25 120.61 2d8d h VAL 12 Ca 0.08 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.63 2d8d h VAL 12 Cb 0.76 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2d8d h VAL 12 CO 0.06 0.38 0.31 0.44 0.02 0.00 0.00 177.57 178.78 2d8d h ASP 13 N 1.06 0.50 -0.41 0.57 3.32 -0.63 0.19 116.42 121.02 2d8d h ASP 13 Ca 0.22 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.29 2d8d h ASP 13 Cb 0.40 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 2d8d h ASP 13 CO 0.01 0.35 0.24 -0.09 -1.72 0.00 0.00 179.24 178.03 2d8d h ARG 14 N 0.61 0.48 -0.56 3.56 9.65 -1.02 -1.48 114.38 125.63 2d8d h ARG 14 Ca 0.21 -0.03 -0.11 0.00 -1.10 0.00 0.00 59.98 58.94 2d8d h ARG 14 Cb 0.02 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 28.47 2d8d h ARG 14 CO -0.09 0.32 -0.09 0.28 2.80 0.00 0.00 179.97 183.18 2d8d h VAL 15 N 0.49 1.27 -0.46 0.20 2.07 -0.88 -2.03 116.25 116.90 2d8d h VAL 15 Ca 0.16 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.48 2d8d h VAL 15 Cb 0.00 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 2d8d h VAL 15 CO -0.07 0.45 0.19 0.78 0.02 0.00 0.00 177.57 178.93 2d8d h ASN 16 N 0.93 0.23 -0.17 0.57 2.35 -0.27 -0.28 115.58 118.94 2d8d h ASN 16 Ca 0.15 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.87 2d8d h ASN 16 Cb 0.67 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 2d8d h ASN 16 CO 0.05 0.16 -0.11 0.03 -1.65 0.00 0.00 177.43 175.91 2d8d h ARG 17 N 0.38 0.53 -0.54 0.81 3.08 -1.07 -0.65 114.38 116.91 2d8d h ARG 17 Ca 0.21 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 2d8d h ARG 17 Cb 0.18 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 2d8d h ARG 17 CO -0.20 0.64 -0.09 0.93 -1.07 0.00 0.00 179.97 180.18 2d8d h GLU 18 N 0.49 1.02 -0.69 0.04 5.08 -0.66 -1.89 114.58 117.97 2d8d h GLU 18 Ca 0.09 -0.37 -0.04 0.00 -1.00 0.00 0.00 59.36 58.03 2d8d h GLU 18 Cb 0.49 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 2d8d h GLU 18 CO 0.03 1.06 0.25 0.82 -1.00 0.00 0.00 179.01 180.17 2d8d h ILE 19 N 0.90 1.25 -0.71 3.13 2.04 -0.59 -0.98 117.51 122.54 2d8d h ILE 19 Ca 0.14 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.21 2d8d h ILE 19 Cb 0.66 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2d8d h ILE 19 CO 0.05 0.32 0.47 0.25 0.00 0.00 0.00 178.15 179.23 2d8d h LEU 20 N 0.98 0.80 -0.37 1.44 5.85 -0.89 0.12 115.31 123.25 2d8d h LEU 20 Ca 0.23 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2d8d h LEU 20 Cb 0.24 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 2d8d h LEU 20 CO -0.01 0.57 0.14 -0.09 -0.34 0.00 0.00 178.44 178.71 2d8d h ARG 21 N 0.95 0.56 -0.45 1.25 2.43 -0.91 -1.64 114.38 116.56 2d8d h ARG 21 Ca 0.27 -0.11 -0.12 0.00 -0.81 0.00 0.00 59.98 59.21 2d8d h ARG 21 Cb -0.08 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 2d8d h ARG 21 CO -0.07 0.55 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.68 2d8d h LEU 22 N 0.45 0.90 -0.62 3.80 -0.00 -0.80 -0.75 115.31 118.29 2d8d h LEU 22 Ca 0.12 -0.32 -0.03 0.00 -0.00 0.00 0.00 57.88 57.66 2d8d h LEU 22 Cb 0.21 -0.25 -0.03 0.00 -0.00 0.00 0.00 40.66 40.59 2d8d h LEU 22 CO -0.01 1.07 0.28 -0.07 -0.00 0.00 0.00 178.44 179.71 2d8d h LEU 23 N 0.78 0.83 -0.68 1.67 3.38 -0.66 -0.42 115.31 120.21 2d8d h LEU 23 Ca 0.11 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 2d8d h LEU 23 Cb 0.72 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2d8d h LEU 23 CO 0.06 0.74 0.13 0.28 0.09 0.00 0.00 178.44 179.74 2d8d h SER 24 N 0.86 1.06 -0.67 -0.43 0.02 -1.07 -0.77 113.55 112.55 2d8d h SER 24 Ca 0.21 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2d8d h SER 24 Cb 0.15 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 2d8d h SER 24 CO -0.02 1.04 0.32 -0.08 -1.14 0.00 0.00 176.83 176.95 2d8d h GLU 25 N 1.03 0.96 -0.91 3.45 4.81 -0.81 -1.48 114.58 121.64 2d8d h GLU 25 Ca 0.21 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2d8d h GLU 25 Cb 0.42 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 2d8d h GLU 25 CO 0.01 0.76 0.52 -0.09 -0.73 0.00 0.00 179.01 179.47 2d8d h ARG 26 N 0.92 1.26 -0.51 1.92 2.43 -0.62 -1.61 114.38 118.17 2d8d h ARG 26 Ca 0.23 -0.14 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2d8d h ARG 26 Cb 0.11 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.39 2d8d h ARG 26 CO -0.03 0.90 0.30 0.78 -1.51 0.00 0.00 179.97 180.42 2d8d h GLY 27 N 1.27 0.75 1.03 2.80 0.00 -0.52 -1.22 103.07 107.17 2d8d h GLY 27 Ca 0.32 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2d8d h GLY 27 CO -0.05 0.31 0.37 3.21 0.00 0.00 0.00 176.54 180.38 2d8d h ARG 28 N 0.68 1.14 -0.40 4.80 3.08 -0.84 -1.70 114.38 121.15 2d8d h ARG 28 Ca 0.18 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2d8d h ARG 28 Cb 0.01 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 2d8d h ARG 28 CO -0.03 0.88 0.16 -0.07 -1.07 0.00 0.00 179.97 179.84 2d8d h LEU 29 N 1.11 0.55 -1.00 3.04 3.38 -0.95 -1.74 115.31 119.71 2d8d h LEU 29 Ca 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2d8d h LEU 29 Cb 0.13 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 2d8d h LEU 29 CO -0.03 0.57 0.34 0.58 0.09 0.00 0.00 178.44 179.98 2d8d h VAL 30 N 0.50 1.24 -0.65 1.22 2.07 -1.01 -0.77 116.25 118.83 2d8d h VAL 30 Ca 0.13 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 2d8d h VAL 30 Cb 0.19 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2d8d h VAL 30 CO -0.01 0.28 0.24 1.56 0.02 0.00 0.00 177.57 179.66 2d8d h GLN 31 N 1.04 0.99 -0.52 1.57 4.20 -1.03 -0.34 115.11 121.02 2d8d h GLN 31 Ca 0.25 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 2d8d h GLN 31 Cb 0.13 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2d8d h GLN 31 CO -0.03 0.85 0.13 1.49 -0.67 0.00 0.00 178.83 180.60 2d8d h GLU 32 N 0.93 0.84 -0.57 1.46 4.57 -0.79 -1.55 114.58 119.46 2d8d h GLU 32 Ca 0.21 -0.20 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2d8d h GLU 32 Cb 0.25 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 2d8d h GLU 32 CO -0.01 0.79 0.38 0.82 -1.18 0.00 0.00 179.01 179.81 2d8d h ILE 33 N 0.73 1.15 -1.00 2.32 2.04 -0.89 -2.63 117.51 119.23 2d8d h ILE 33 Ca 0.16 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.77 2d8d h ILE 33 Cb 0.33 0.31 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 2d8d h ILE 33 CO 0.00 0.14 0.66 1.23 0.00 0.00 0.00 178.15 180.18 2d8d h GLY 34 N 0.78 1.43 1.38 5.37 0.00 -0.66 0.11 103.07 111.47 2d8d h GLY 34 Ca 0.21 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 2d8d h GLY 34 CO -0.05 0.48 0.06 3.21 0.00 0.00 0.00 176.54 180.24 2d8d h ARG 35 N 1.32 0.77 -0.21 4.80 3.08 -0.94 -0.08 114.38 123.12 2d8d h ARG 35 Ca 0.38 -0.18 -0.14 0.00 0.07 0.00 0.00 59.98 60.11 2d8d h ARG 35 Cb -0.09 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.86 2d8d h ARG 35 CO -0.10 0.74 -0.43 -0.07 -1.07 0.00 0.00 179.97 179.05 2d8d h LEU 36 N 0.73 0.73 -0.74 3.04 3.38 -1.09 -2.48 115.31 118.89 2d8d h LEU 36 Ca 0.15 -0.55 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2d8d h LEU 36 Cb 0.37 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2d8d h LEU 36 CO 0.01 1.15 0.45 1.56 0.09 0.00 0.00 178.44 181.70 2d8d h GLN 37 N 0.34 1.00 -0.13 1.13 4.20 -0.72 -1.09 115.11 119.85 2d8d h GLN 37 Ca 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2d8d h GLN 37 Cb 1.03 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.59 2d8d h GLN 37 CO 0.09 0.70 0.08 1.15 -0.67 0.00 0.00 178.83 180.19 2d8d h THR 38 N 1.01 1.04 -0.92 -0.54 2.02 -0.98 0.21 112.91 114.75 2d8d h THR 38 Ca 0.27 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.40 2d8d h THR 38 Cb -0.05 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 2d8d h THR 38 CO -0.05 0.04 0.60 -0.08 0.37 0.00 0.00 175.52 176.39 2d8d h GLU 39 N 0.17 1.10 -0.05 6.66 4.81 -1.11 -2.18 114.58 123.97 2d8d h GLU 39 Ca 0.05 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2d8d h GLU 39 Cb -0.01 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.12 2d8d h GLU 39 CO -0.01 0.73 0.00 1.28 -0.73 0.00 0.00 179.01 180.28 2d8d n LEU 40 N -4.52 1.04 -1.43 1.64 4.77 -0.44 -4.93 117.00 113.13 2d8d n LEU 40 Ca 0.12 -0.39 -0.12 0.00 -0.03 0.00 0.00 56.01 55.60 2d8d n LEU 40 Cb 0.11 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2d8d n LEU 40 CO 0.34 0.19 -0.11 0.61 -1.33 0.00 0.00 177.39 177.08 2d8d n GLY 41 N 1.07 -0.08 3.86 -0.72 0.00 -0.26 -5.03 105.19 104.03 2d8d n GLY 41 Ca 0.18 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 2d8d n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d8d s LEU 42 N -3.48 4.05 0.60 0.99 1.43 0.58 -5.02 118.68 117.83 2d8d s LEU 42 Ca 0.04 0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.01 2d8d s LEU 42 Cb -0.02 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 2d8d s LEU 42 CO 0.05 0.10 1.12 -2.16 0.23 0.00 0.00 176.35 175.69 2d8d s PRO 43 N -2.92 3.07 -0.23 1.29 0.04 -1.26 -4.37 135.00 130.63 2d8d s PRO 43 Ca 0.32 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 62.70 2d8d s PRO 43 Cb -0.11 -1.98 -0.16 0.00 0.04 0.00 0.00 34.50 32.30 2d8d s PRO 43 CO 0.25 -1.06 -0.02 0.72 0.04 0.00 0.00 177.00 176.94 2d8d n HIS 44 N -1.84 0.63 -2.23 0.56 8.25 -1.26 -4.86 115.22 114.47 2d8d n HIS 44 Ca 0.11 0.27 -0.43 0.00 -0.26 0.00 0.00 57.72 57.42 2d8d n HIS 44 Cb 0.51 -1.04 -0.02 0.00 1.12 0.00 0.00 29.99 30.56 2d8d n HIS 44 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2d8d s TYR 45 N -2.42 2.45 -0.45 4.41 5.04 -1.26 -4.95 117.35 120.16 2d8d s TYR 45 Ca -0.32 0.64 0.03 0.00 -2.44 0.00 0.00 57.07 54.98 2d8d s TYR 45 Cb 0.09 -3.69 0.16 0.00 0.35 0.00 0.00 41.96 38.86 2d8d s TYR 45 CO 0.54 -2.67 0.33 0.34 -1.34 0.00 0.00 175.55 172.74 2d8d s ASP 46 N 2.61 2.61 0.51 4.32 -1.08 -1.26 -4.98 116.67 119.40 2d8d s ASP 46 Ca 0.63 -2.97 0.19 0.00 -0.52 0.00 0.00 52.55 49.88 2d8d s ASP 46 Cb -0.27 -0.72 1.27 0.00 -1.46 0.00 0.00 42.92 41.73 2d8d s ASP 46 CO 0.21 -0.20 2.06 1.55 0.52 0.00 0.00 175.17 179.31 2d8d h PRO 47 N 6.01 0.09 -0.37 4.34 0.13 -1.99 -1.55 132.00 138.65 2d8d h PRO 47 Ca 0.17 -0.01 -0.11 0.00 -0.87 0.00 0.00 66.00 65.18 2d8d h PRO 47 Cb 0.90 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 2d8d h PRO 47 CO 0.43 0.06 -0.19 0.87 -0.23 0.00 0.00 178.00 178.94 2d8d h LYS 48 N 0.09 0.78 -0.55 0.86 1.79 -1.99 -0.77 116.57 116.79 2d8d h LYS 48 Ca 0.15 -0.35 -0.06 0.00 -2.18 0.00 0.00 60.65 58.22 2d8d h LYS 48 Cb 0.50 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 2d8d h LYS 48 CO -0.01 0.97 0.11 -0.09 -1.08 0.00 0.00 179.45 179.34 2d8d h ARG 49 N 0.58 0.87 -0.53 3.15 9.65 -1.76 -0.47 114.38 125.86 2d8d h ARG 49 Ca 0.08 -0.19 -0.05 0.00 -1.10 0.00 0.00 59.98 58.72 2d8d h ARG 49 Cb 0.74 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 29.17 2d8d h ARG 49 CO 0.06 0.80 0.14 0.93 2.80 0.00 0.00 179.97 184.70 2d8d h GLU 50 N 0.83 0.85 -0.24 0.20 5.08 -1.05 -1.15 114.58 119.09 2d8d h GLU 50 Ca 0.18 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2d8d h GLU 50 Cb 0.34 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2d8d h GLU 50 CO 0.00 0.79 -0.12 0.93 -1.00 0.00 0.00 179.01 179.62 2d8d h GLU 51 N 0.74 0.39 -0.43 2.33 4.39 -0.71 -0.87 114.58 120.43 2d8d h GLU 51 Ca 0.17 -0.10 -0.04 0.00 0.34 0.00 0.00 59.36 59.73 2d8d h GLU 51 Cb 0.32 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2d8d h GLU 51 CO -0.00 0.52 0.12 0.93 -1.16 0.00 0.00 179.01 179.42 2d8d h GLU 52 N 0.37 0.67 -0.35 2.33 5.08 -0.53 0.12 114.58 122.26 2d8d h GLU 52 Ca 0.07 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2d8d h GLU 52 Cb 0.44 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2d8d h GLU 52 CO 0.02 0.67 0.01 0.52 -1.00 0.00 0.00 179.01 179.23 2d8d h MET 53 N 0.55 0.62 -0.49 2.33 2.86 -0.83 -2.52 114.93 117.45 2d8d h MET 53 Ca 0.14 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2d8d h MET 53 Cb 0.29 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 2d8d h MET 53 CO -0.00 0.73 0.31 -0.07 1.06 0.00 0.00 176.91 178.94 2d8d h LEU 54 N 0.43 0.56 0.17 1.22 3.38 -1.02 -2.24 115.31 117.82 2d8d h LEU 54 Ca 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2d8d h LEU 54 Cb 0.44 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2d8d h LEU 54 CO 0.02 0.42 -0.08 0.00 0.09 0.00 0.00 178.44 178.88 2d8d h ALA 55 N 1.68 -0.23 0.00 1.53 0.00 -0.54 0.03 119.26 121.74 2d8d h ALA 55 Ca 0.18 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2d8d h ALA 55 Cb -0.06 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2d8d h ALA 55 CO -0.04 -0.61 -0.53 0.10 0.00 0.00 0.00 179.25 178.18 2d8d h TYR 56 N -0.27 0.00 -0.18 0.00 -0.00 -1.36 -1.63 116.97 113.53 2d8d h TYR 56 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 58.73 58.59 2d8d h TYR 56 Cb 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.93 2d8d h TYR 56 CO -0.05 0.53 -0.39 -0.07 -0.00 0.00 0.00 178.16 178.18 2d8d h LEU 57 N 0.00 0.42 -0.10 0.10 3.38 -1.24 0.43 115.31 118.31 2d8d h LEU 57 Ca -0.01 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2d8d h LEU 57 Cb 1.08 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 2d8d h LEU 57 CO 0.07 0.77 -0.09 0.74 0.09 0.00 0.00 178.44 180.03 2d8d h THR 58 N 0.34 1.35 -0.66 0.22 2.02 -0.79 -1.19 112.91 114.21 2d8d h THR 58 Ca 0.03 -1.22 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 2d8d h THR 58 Cb 0.84 1.95 -0.03 0.00 -1.74 0.00 0.00 68.15 69.16 2d8d h THR 58 CO 0.07 0.35 0.27 0.00 0.37 0.00 0.00 175.52 176.57 2d8d h ALA 59 N 0.59 1.23 -0.00 6.16 0.00 -1.13 -2.87 119.26 123.23 2d8d h ALA 59 Ca 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2d8d h ALA 59 Cb 0.59 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2d8d h ALA 59 CO 0.02 0.57 -0.26 0.39 0.00 0.00 0.00 179.25 179.96 2d8d n GLU 60 N -4.31 0.46 -1.58 0.00 1.02 0.13 -4.92 120.64 111.44 2d8d n GLU 60 Ca 0.06 -0.22 -0.53 0.00 -0.02 0.00 0.00 57.16 56.44 2d8d n GLU 60 Cb 0.17 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.03 2d8d n GLU 60 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2d8d n ASN 61 N -1.08 2.41 -0.51 1.62 5.15 -0.45 -4.83 115.26 117.58 2d8d n ASN 61 Ca 0.10 0.75 0.13 0.00 -0.60 0.00 0.00 54.58 54.97 2d8d n ASN 61 Cb 0.32 -1.23 0.40 0.00 -0.53 0.00 0.00 39.78 38.75 2d8d n ASN 61 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2d8d n PRO 62 N 6.92 1.57 0.00 1.20 -0.04 -1.26 -5.06 135.00 138.33 2d8d n PRO 62 Ca 0.33 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.78 2d8d n PRO 62 Cb 0.20 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 2d8d n PRO 62 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2d8d n GLY 63 N 1.25 -0.80 0.00 0.55 0.00 -1.26 -4.93 105.19 99.99 2d8d n GLY 63 Ca 0.16 -1.70 0.11 0.00 0.00 0.00 0.00 46.02 44.59 2d8d n GLY 63 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d8d n PRO 64 N -0.77 0.09 -2.34 1.61 -0.04 -1.26 -5.08 135.00 127.22 2d8d n PRO 64 Ca 0.00 0.09 -0.38 0.00 -0.04 0.00 0.00 63.50 63.17 2d8d n PRO 64 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 2d8d n PRO 64 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2d8d s PHE 65 N -2.88 3.16 0.69 0.54 0.40 -1.26 -5.01 117.98 113.62 2d8d s PHE 65 Ca 0.14 1.58 -0.13 0.00 -0.60 0.00 0.00 56.93 57.91 2d8d s PHE 65 Cb 0.15 -3.36 0.01 0.00 0.51 0.00 0.00 43.02 40.33 2d8d s PHE 65 CO 0.40 -1.17 1.09 -2.14 0.70 0.00 0.00 175.22 174.11 2d8d s PRO 66 N -2.18 2.71 0.26 0.24 0.02 -1.26 -4.83 135.00 129.96 2d8d s PRO 66 Ca 0.55 1.27 -0.02 0.00 0.02 0.00 0.00 61.00 62.82 2d8d s PRO 66 Cb -0.30 -1.95 0.49 0.00 0.02 0.00 0.00 34.50 32.76 2d8d s PRO 66 CO 0.38 -1.30 1.78 -0.44 -0.33 0.00 0.00 177.00 177.09 2d8d h ASP 67 N -0.33 0.59 -0.88 2.53 3.32 -1.94 -0.99 116.42 118.72 2d8d h ASP 67 Ca -0.46 0.08 0.05 0.00 0.02 0.00 0.00 57.03 56.72 2d8d h ASP 67 Cb 1.24 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.71 2d8d h ASP 67 CO 0.54 0.28 0.58 -0.08 -1.72 0.00 0.00 179.24 178.84 2d8d h GLU 68 N 0.69 1.02 -0.28 3.56 4.57 -1.99 0.19 114.58 122.33 2d8d h GLU 68 Ca 0.44 -0.06 -0.13 0.00 -1.18 0.00 0.00 59.36 58.43 2d8d h GLU 68 Cb 0.56 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2d8d h GLU 68 CO -0.32 0.67 -0.32 1.15 -1.18 0.00 0.00 179.01 179.01 2d8d h THR 69 N 1.05 1.30 -0.66 0.32 2.02 -1.57 -1.16 112.91 114.21 2d8d h THR 69 Ca 0.36 -1.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 2d8d h THR 69 Cb 0.11 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 2d8d h THR 69 CO -0.12 0.48 0.33 0.40 0.37 0.00 0.00 175.52 176.98 2d8d h ILE 70 N 0.47 1.22 -0.63 3.11 1.08 -0.78 -0.58 117.51 121.39 2d8d h ILE 70 Ca 0.04 -0.60 -0.06 0.00 -0.39 0.00 0.00 64.86 63.85 2d8d h ILE 70 Cb 0.90 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 35.03 2d8d h ILE 70 CO 0.08 0.25 0.18 0.03 -0.69 0.00 0.00 178.15 178.00 2d8d h ARG 71 N 0.91 0.99 -0.46 2.37 3.08 -0.88 -1.69 114.38 118.70 2d8d h ARG 71 Ca 0.23 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2d8d h ARG 71 Cb 0.10 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2d8d h ARG 71 CO -0.03 0.88 0.13 0.87 -1.07 0.00 0.00 179.97 180.75 2d8d h LYS 72 N 0.91 0.72 -0.38 0.04 1.57 -0.83 0.14 116.57 118.74 2d8d h LYS 72 Ca 0.20 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2d8d h LYS 72 Cb 0.32 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2d8d h LYS 72 CO -0.00 0.70 0.17 -0.07 -0.57 0.00 0.00 179.45 179.68 2d8d h LEU 73 N 0.61 0.51 -0.93 2.94 3.38 -0.97 -1.95 115.31 118.91 2d8d h LEU 73 Ca 0.15 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2d8d h LEU 73 Cb 0.29 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2d8d h LEU 73 CO -0.00 0.51 -0.44 -0.26 0.09 0.00 0.00 178.44 178.34 2d8d h PHE 74 N 0.48 0.24 -0.62 1.13 0.04 -1.20 -1.36 116.94 115.66 2d8d h PHE 74 Ca 0.13 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 2d8d h PHE 74 Cb 0.14 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 2d8d h PHE 74 CO -0.01 0.61 0.28 0.87 -0.60 0.00 0.00 178.31 179.46 2d8d h LYS 75 N 0.17 0.88 -0.45 1.51 1.57 -0.65 0.17 116.57 119.77 2d8d h LYS 75 Ca 0.01 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.53 2d8d h LYS 75 Cb 0.85 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2d8d h LYS 75 CO 0.07 0.70 -0.26 0.93 -0.57 0.00 0.00 179.45 180.31 2d8d h GLU 76 N 0.87 0.98 -0.59 3.15 4.39 -0.84 -0.11 114.58 122.43 2d8d h GLU 76 Ca 0.21 -0.45 -0.04 0.00 0.34 0.00 0.00 59.36 59.43 2d8d h GLU 76 Cb 0.12 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 2d8d h GLU 76 CO -0.02 1.12 0.22 0.82 -1.16 0.00 0.00 179.01 179.99 2d8d h ILE 77 N 0.82 1.23 -0.42 3.13 2.04 -0.58 -1.35 117.51 122.38 2d8d h ILE 77 Ca 0.10 -0.73 -0.09 0.00 1.00 0.00 0.00 64.86 65.13 2d8d h ILE 77 Cb 0.85 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 2d8d h ILE 77 CO 0.07 0.28 -0.10 -0.26 0.00 0.00 0.00 178.15 178.15 2d8d h PHE 78 N 0.82 0.91 -0.51 1.37 0.04 -0.52 -2.72 116.94 116.32 2d8d h PHE 78 Ca 0.19 -0.19 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 2d8d h PHE 78 Cb 0.22 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 2d8d h PHE 78 CO 0.01 0.92 0.09 0.87 -0.60 0.00 0.00 178.31 179.61 2d8d h LYS 79 N 0.63 0.79 0.00 1.51 1.57 -0.86 -1.62 116.57 118.59 2d8d h LYS 79 Ca 0.11 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2d8d h LYS 79 Cb 0.63 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2d8d h LYS 79 CO 0.04 0.74 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 2d8d h ALA 80 N 1.34 1.00 -0.01 3.86 0.00 -1.12 -2.44 119.26 121.90 2d8d h ALA 80 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2d8d h ALA 80 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2d8d h ALA 80 CO 0.00 0.00 -0.12 0.43 0.00 0.00 0.00 179.25 179.56 2d8d n SER 81 N -3.04 0.94 -0.05 0.00 7.64 -0.62 -5.10 113.62 113.38 2d8d n SER 81 Ca -0.00 -0.99 0.16 0.00 1.01 0.00 0.00 58.87 59.05 2d8d n SER 81 Cb 0.26 0.03 0.90 0.00 -1.01 0.00 0.00 64.21 64.39 2d8d n SER 81 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21