#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 0.82 -0.62 3.44 3.08 -2.05 -1.29 114.38 117.76 2d8d h ARG 4 Ca 0.00 -0.46 -0.08 0.00 0.07 0.00 0.00 59.98 59.51 2d8d h ARG 4 Cb 0.00 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 2d8d h ARG 4 CO 0.00 1.10 0.09 0.82 -1.07 0.00 0.00 179.97 180.91 2d8d h ILE 5 N 0.59 1.26 -0.54 2.04 2.04 -2.05 -0.17 117.51 120.68 2d8d h ILE 5 Ca 0.04 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.88 2d8d h ILE 5 Cb 0.99 0.71 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2d8d h ILE 5 CO 0.09 0.38 0.34 1.56 0.00 0.00 0.00 178.15 180.52 2d8d h GLN 6 N 0.94 0.73 -0.65 2.37 4.20 -1.98 0.17 115.11 120.90 2d8d h GLN 6 Ca 0.19 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 2d8d h GLN 6 Cb 0.44 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2d8d h GLN 6 CO 0.01 0.51 0.27 0.00 -0.67 0.00 0.00 178.83 178.95 2d8d h ALA 7 N 1.18 0.84 -0.43 3.87 0.00 -0.91 -2.23 119.26 121.57 2d8d h ALA 7 Ca 0.20 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2d8d h ALA 7 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 2d8d h ALA 7 CO -0.04 0.45 -0.05 -0.07 0.00 0.00 0.00 179.25 179.54 2d8d h LEU 8 N 0.91 0.70 -1.11 0.00 3.38 -0.64 -2.03 115.31 116.53 2d8d h LEU 8 Ca 0.22 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 2d8d h LEU 8 Cb 0.19 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2d8d h LEU 8 CO -0.02 0.80 0.18 0.03 0.09 0.00 0.00 178.44 179.53 2d8d h ARG 9 N 0.67 0.82 -0.29 1.13 3.08 -0.60 -0.12 114.38 119.06 2d8d h ARG 9 Ca 0.13 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 59.93 2d8d h ARG 9 Cb 0.49 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2d8d h ARG 9 CO 0.03 0.70 -0.24 0.87 -1.07 0.00 0.00 179.97 180.26 2d8d h LYS 10 N 0.80 0.56 -0.56 0.04 1.79 -0.89 -0.75 116.57 117.54 2d8d h LYS 10 Ca 0.18 -0.21 -0.10 0.00 -2.18 0.00 0.00 60.65 58.34 2d8d h LYS 10 Cb 0.22 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 2d8d h LYS 10 CO -0.01 0.76 -0.03 0.93 -1.08 0.00 0.00 179.45 180.02 2d8d h GLU 11 N 0.49 1.02 -0.79 3.15 4.39 -0.62 -1.69 114.58 120.53 2d8d h GLU 11 Ca 0.07 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 2d8d h GLU 11 Cb 0.68 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 2d8d h GLU 11 CO 0.05 1.02 0.36 0.28 -1.16 0.00 0.00 179.01 179.56 2d8d h VAL 12 N 0.90 1.25 -0.47 3.13 2.07 -0.63 -0.54 116.25 121.96 2d8d h VAL 12 Ca 0.16 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 2d8d h VAL 12 Cb 0.58 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2d8d h VAL 12 CO 0.03 0.31 0.27 0.44 0.02 0.00 0.00 177.57 178.64 2d8d h ASP 13 N 1.12 0.58 -0.31 0.57 3.32 -0.81 0.22 116.42 121.11 2d8d h ASP 13 Ca 0.27 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.25 2d8d h ASP 13 Cb 0.14 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2d8d h ASP 13 CO -0.03 0.49 0.19 -0.09 -1.72 0.00 0.00 179.24 178.07 2d8d h ARG 14 N 0.63 0.37 -0.59 3.56 2.43 -0.82 -1.21 114.38 118.75 2d8d h ARG 14 Ca 0.17 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 2d8d h ARG 14 Cb 0.02 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2d8d h ARG 14 CO -0.03 0.25 0.11 0.28 -1.51 0.00 0.00 179.97 179.07 2d8d h VAL 15 N 0.39 1.25 -0.47 0.20 2.07 -0.80 -1.40 116.25 117.48 2d8d h VAL 15 Ca 0.12 -0.96 0.04 0.00 0.82 0.00 0.00 66.70 66.72 2d8d h VAL 15 Cb -0.02 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 2d8d h VAL 15 CO -0.04 0.35 0.24 0.78 0.02 0.00 0.00 177.57 178.92 2d8d h ASN 16 N 0.87 0.35 -0.51 0.57 2.35 -0.31 0.14 115.58 119.04 2d8d h ASN 16 Ca 0.18 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 2d8d h ASN 16 Cb 0.40 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 2d8d h ASN 16 CO 0.01 0.25 0.13 0.03 -1.65 0.00 0.00 177.43 176.19 2d8d h ARG 17 N 0.47 0.87 -0.57 0.81 3.08 -0.96 -0.68 114.38 117.40 2d8d h ARG 17 Ca 0.20 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 2d8d h ARG 17 Cb 0.10 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2d8d h ARG 17 CO -0.14 0.79 -0.05 0.93 -1.07 0.00 0.00 179.97 180.43 2d8d h GLU 18 N 0.83 1.04 -0.72 0.04 5.08 -0.65 -1.34 114.58 118.86 2d8d h GLU 18 Ca 0.18 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.14 2d8d h GLU 18 Cb 0.32 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 2d8d h GLU 18 CO 0.00 1.05 0.28 0.82 -1.00 0.00 0.00 179.01 180.16 2d8d h ILE 19 N 0.93 1.25 -0.70 3.13 2.04 -0.55 0.04 117.51 123.65 2d8d h ILE 19 Ca 0.16 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 2d8d h ILE 19 Cb 0.61 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 2d8d h ILE 19 CO 0.04 0.32 0.40 0.25 0.00 0.00 0.00 178.15 179.16 2d8d h LEU 20 N 1.03 0.86 -0.42 1.44 5.85 -0.85 0.16 115.31 123.37 2d8d h LEU 20 Ca 0.24 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 2d8d h LEU 20 Cb 0.22 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2d8d h LEU 20 CO -0.02 0.69 0.14 -0.09 -0.34 0.00 0.00 178.44 178.83 2d8d h ARG 21 N 0.96 0.65 -0.54 1.25 2.43 -0.81 -1.25 114.38 117.08 2d8d h ARG 21 Ca 0.25 -0.13 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 2d8d h ARG 21 Cb 0.01 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2d8d h ARG 21 CO -0.04 0.63 -0.12 -0.07 -1.51 0.00 0.00 179.97 178.86 2d8d h LEU 22 N 0.54 1.03 -0.69 3.80 -0.00 -0.65 -0.58 115.31 118.75 2d8d h LEU 22 Ca 0.14 -0.35 -0.03 0.00 -0.00 0.00 0.00 57.88 57.63 2d8d h LEU 22 Cb 0.24 -0.28 -0.03 0.00 -0.00 0.00 0.00 40.66 40.59 2d8d h LEU 22 CO -0.01 1.14 0.31 -0.07 -0.00 0.00 0.00 178.44 179.82 2d8d h LEU 23 N 0.90 0.92 -0.71 1.67 3.38 -0.60 -0.14 115.31 120.73 2d8d h LEU 23 Ca 0.14 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2d8d h LEU 23 Cb 0.69 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 2d8d h LEU 23 CO 0.05 0.81 -0.04 0.28 0.09 0.00 0.00 178.44 179.64 2d8d h SER 24 N 0.96 0.94 -0.51 -0.43 0.02 -0.99 0.35 113.55 113.89 2d8d h SER 24 Ca 0.23 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 2d8d h SER 24 Cb 0.15 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2d8d h SER 24 CO -0.03 1.01 0.17 -0.08 -1.14 0.00 0.00 176.83 176.76 2d8d h GLU 25 N 0.87 0.78 -0.85 3.45 4.81 -0.77 -1.29 114.58 121.58 2d8d h GLU 25 Ca 0.15 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2d8d h GLU 25 Cb 0.56 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.79 2d8d h GLU 25 CO 0.03 0.72 0.47 -0.09 -0.73 0.00 0.00 179.01 179.42 2d8d h ARG 26 N 0.69 1.18 -0.63 1.92 2.43 -0.67 -1.86 114.38 117.45 2d8d h ARG 26 Ca 0.16 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2d8d h ARG 26 Cb 0.26 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2d8d h ARG 26 CO -0.01 0.86 0.38 0.78 -1.51 0.00 0.00 179.97 180.47 2d8d h GLY 27 N 1.21 0.91 1.44 2.80 0.00 -0.32 -1.14 103.07 107.96 2d8d h GLY 27 Ca 0.30 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 47.16 2d8d h GLY 27 CO -0.05 0.37 -0.11 3.21 0.00 0.00 0.00 176.54 179.96 2d8d h ARG 28 N 0.85 0.67 -0.26 4.80 3.08 -0.76 -1.07 114.38 121.70 2d8d h ARG 28 Ca 0.23 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 2d8d h ARG 28 Cb -0.02 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 2d8d h ARG 28 CO -0.04 0.77 0.03 -0.07 -1.07 0.00 0.00 179.97 179.58 2d8d h LEU 29 N 0.62 0.42 -1.26 3.04 3.38 -0.91 -1.90 115.31 118.70 2d8d h LEU 29 Ca 0.11 -0.27 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 2d8d h LEU 29 Cb 0.54 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2d8d h LEU 29 CO 0.03 0.59 -0.37 -0.37 0.09 0.00 0.00 178.44 178.41 2d8d h VAL 30 N 0.24 1.26 -0.63 1.22 -1.51 -1.08 -1.01 116.25 114.74 2d8d h VAL 30 Ca 0.08 -1.27 -0.05 0.00 -1.23 0.00 0.00 66.70 64.23 2d8d h VAL 30 Cb 0.35 1.69 -0.03 0.00 -2.13 0.00 0.00 31.29 31.17 2d8d h VAL 30 CO 0.01 0.36 0.21 1.56 -1.23 0.00 0.00 177.57 178.48 2d8d h GLN 31 N 0.00 0.97 -0.51 5.19 4.20 -0.92 0.12 115.11 124.15 2d8d h GLN 31 Ca -0.00 -0.20 -0.07 0.00 0.06 0.00 0.00 58.65 58.44 2d8d h GLN 31 Cb 0.66 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 2d8d h GLN 31 CO 0.05 0.85 0.06 1.49 -0.67 0.00 0.00 178.83 180.61 2d8d h GLU 32 N 0.89 0.86 -0.51 1.46 4.81 -0.69 -1.55 114.58 119.86 2d8d h GLU 32 Ca 0.20 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2d8d h GLU 32 Cb 0.27 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2d8d h GLU 32 CO -0.01 0.86 0.21 0.82 -0.73 0.00 0.00 179.01 180.17 2d8d h ILE 33 N 0.74 1.21 -1.01 2.32 2.04 -0.92 -2.54 117.51 119.35 2d8d h ILE 33 Ca 0.15 -0.64 0.02 0.00 1.00 0.00 0.00 64.86 65.39 2d8d h ILE 33 Cb 0.43 0.67 -0.05 0.00 -0.74 0.00 0.00 36.82 37.13 2d8d h ILE 33 CO 0.01 0.25 0.67 1.23 0.00 0.00 0.00 178.15 180.31 2d8d h GLY 34 N 0.69 1.43 1.06 5.37 0.00 -0.47 -0.15 103.07 111.00 2d8d h GLY 34 Ca 0.17 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 2d8d h GLY 34 CO -0.02 0.50 0.14 3.21 0.00 0.00 0.00 176.54 180.38 2d8d h ARG 35 N 1.35 1.09 -0.47 4.80 2.47 -1.10 -0.94 114.38 121.58 2d8d h ARG 35 Ca 0.38 -0.27 -0.10 0.00 -1.26 0.00 0.00 59.98 58.73 2d8d h ARG 35 Cb -0.12 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.05 2d8d h ARG 35 CO -0.09 0.98 -0.08 -0.07 0.56 0.00 0.00 179.97 181.27 2d8d h LEU 36 N 1.02 0.89 -0.75 3.04 3.38 -0.99 -2.18 115.31 119.72 2d8d h LEU 36 Ca 0.21 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2d8d h LEU 36 Cb 0.40 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 2d8d h LEU 36 CO 0.01 1.02 0.31 1.56 0.09 0.00 0.00 178.44 181.43 2d8d h GLN 37 N 0.74 1.11 -0.34 1.13 4.20 -0.79 -0.70 115.11 120.45 2d8d h GLN 37 Ca 0.12 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 2d8d h GLN 37 Cb 0.61 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 2d8d h GLN 37 CO 0.04 0.90 0.18 1.15 -0.67 0.00 0.00 178.83 180.42 2d8d h THR 38 N 1.07 1.15 0.00 -0.54 2.02 -1.03 0.24 112.91 115.82 2d8d h THR 38 Ca 0.25 -0.40 -0.08 0.00 0.77 0.00 0.00 66.41 66.95 2d8d h THR 38 Cb 0.19 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2d8d h THR 38 CO -0.02 0.15 -0.39 -0.08 0.37 0.00 0.00 175.52 175.55 2d8d h GLU 39 N 0.42 0.00 -0.01 6.66 4.81 -1.16 -2.72 114.58 122.58 2d8d h GLU 39 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2d8d h GLU 39 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2d8d h GLU 39 CO -0.02 0.39 -0.15 1.28 -0.73 0.00 0.00 179.01 179.78 2d8d n LEU 40 N -3.85 1.25 -1.74 1.64 4.77 -0.29 -4.94 117.00 113.84 2d8d n LEU 40 Ca -0.01 -0.37 -0.12 0.00 -0.03 0.00 0.00 56.01 55.48 2d8d n LEU 40 Cb 0.45 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 2d8d n LEU 40 CO 0.38 0.22 0.02 0.61 -1.33 0.00 0.00 177.39 177.29 2d8d n GLY 41 N 1.27 0.09 3.75 -0.72 0.00 -0.19 -5.04 105.19 104.36 2d8d n GLY 41 Ca 0.15 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.76 3.60 0.62 0.99 1.43 0.66 -5.03 118.68 117.20 2d8d s LEU 42 Ca 0.18 -0.27 -0.15 0.00 -1.03 0.00 0.00 54.13 52.86 2d8d s LEU 42 Cb -0.08 -2.21 -0.02 0.00 0.03 0.00 0.00 46.19 43.91 2d8d s LEU 42 CO 0.23 0.06 1.07 -2.16 0.23 0.00 0.00 176.35 175.77 2d8d s PRO 43 N -3.18 3.13 -0.13 1.29 0.04 -1.26 -4.41 135.00 130.48 2d8d s PRO 43 Ca 0.30 1.23 -0.00 0.00 0.04 0.00 0.00 61.00 62.56 2d8d s PRO 43 Cb -0.09 -2.01 -0.24 0.00 0.04 0.00 0.00 34.50 32.20 2d8d s PRO 43 CO 0.22 -0.96 0.32 0.72 0.04 0.00 0.00 177.00 177.33 2d8d n HIS 44 N -2.25 0.96 -2.75 0.56 8.25 -1.26 -4.86 115.22 113.87 2d8d n HIS 44 Ca 0.09 0.23 -0.42 0.00 -0.26 0.00 0.00 57.72 57.36 2d8d n HIS 44 Cb 0.53 -1.14 -0.03 0.00 1.12 0.00 0.00 29.99 30.47 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 -2.56 3.41 -0.39 4.41 5.04 -1.26 -5.00 117.35 121.00 2d8d s TYR 45 Ca -0.20 1.42 0.01 0.00 -2.44 0.00 0.00 57.07 55.86 2d8d s TYR 45 Cb 0.07 -3.16 0.14 0.00 0.35 0.00 0.00 41.96 39.36 2d8d s TYR 45 CO 0.76 -0.33 0.22 0.34 -1.34 0.00 0.00 175.55 175.20 2d8d s ASP 46 N 1.17 3.27 0.48 4.32 -1.08 -1.26 -5.00 116.67 118.58 2d8d s ASP 46 Ca 0.43 -2.40 0.19 0.00 -0.52 0.00 0.00 52.55 50.25 2d8d s ASP 46 Cb -0.16 -0.69 1.20 0.00 -1.46 0.00 0.00 42.92 41.81 2d8d s ASP 46 CO 0.11 -0.29 2.05 1.55 0.52 0.00 0.00 175.17 179.11 2d8d h PRO 47 N 6.87 0.00 -0.23 4.34 0.13 -1.99 -1.56 132.00 139.55 2d8d h PRO 47 Ca 0.03 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 2d8d h PRO 47 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 2d8d h PRO 47 CO 0.37 0.14 0.06 -0.22 -0.23 0.00 0.00 178.00 178.12 2d8d h LYS 48 N 0.00 0.37 -0.57 0.86 3.64 -1.99 -0.78 116.57 118.10 2d8d h LYS 48 Ca -0.00 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 2d8d h LYS 48 Cb 0.27 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 2d8d h LYS 48 CO 0.02 0.47 0.25 -0.09 -2.27 0.00 0.00 179.45 177.83 2d8d h ARG 49 N 0.20 0.83 -0.54 1.90 9.65 -1.89 -1.31 114.38 123.21 2d8d h ARG 49 Ca 0.07 -0.13 -0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2d8d h ARG 49 Cb 0.27 -0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 2d8d h ARG 49 CO 0.00 0.69 0.33 0.93 2.80 0.00 0.00 179.97 184.72 2d8d h GLU 50 N 0.77 0.73 -0.27 0.20 5.08 -1.13 -1.34 114.58 118.62 2d8d h GLU 50 Ca 0.19 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 2d8d h GLU 50 Cb 0.15 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2d8d h GLU 50 CO -0.02 0.52 -0.14 0.93 -1.00 0.00 0.00 179.01 179.31 2d8d h GLU 51 N 0.72 0.46 -0.53 2.33 5.08 -0.91 -1.26 114.58 120.47 2d8d h GLU 51 Ca 0.19 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 2d8d h GLU 51 Cb -0.02 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2d8d h GLU 51 CO -0.04 0.60 -0.13 0.93 -1.00 0.00 0.00 179.01 179.37 2d8d h GLU 52 N 0.43 1.02 -0.39 2.33 5.08 -0.72 -0.49 114.58 121.83 2d8d h GLU 52 Ca 0.08 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 2d8d h GLU 52 Cb 0.50 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2d8d h GLU 52 CO 0.03 1.07 -0.03 0.52 -1.00 0.00 0.00 179.01 179.60 2d8d h MET 53 N 0.90 0.71 -0.35 2.33 2.86 -0.91 -2.50 114.93 117.97 2d8d h MET 53 Ca 0.14 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 2d8d h MET 53 Cb 0.70 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 2d8d h MET 53 CO 0.05 0.82 0.10 -0.07 1.06 0.00 0.00 176.91 178.87 2d8d h LEU 54 N 0.53 0.46 -0.05 1.22 3.38 -1.08 -1.74 115.31 118.03 2d8d h LEU 54 Ca 0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2d8d h LEU 54 Cb 0.52 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 2d8d h LEU 54 CO 0.03 0.46 0.01 0.00 0.09 0.00 0.00 178.44 179.02 2d8d h ALA 55 N 1.61 0.07 0.00 1.53 0.00 -0.76 -1.37 119.26 120.34 2d8d h ALA 55 Ca 0.12 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2d8d h ALA 55 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2d8d h ALA 55 CO -0.01 -0.28 -0.62 0.10 0.00 0.00 0.00 179.25 178.44 2d8d h TYR 56 N -0.17 0.00 -0.38 0.00 -0.00 -1.31 -1.75 116.97 113.35 2d8d h TYR 56 Ca 0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.60 2d8d h TYR 56 Cb 0.29 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.02 2d8d h TYR 56 CO 0.02 0.62 -0.35 -0.07 -0.00 0.00 0.00 178.16 178.39 2d8d h LEU 57 N 0.00 0.92 -0.40 0.10 3.38 -1.28 -0.39 115.31 117.64 2d8d h LEU 57 Ca -0.01 -0.40 -0.18 0.00 0.09 0.00 0.00 57.88 57.38 2d8d h LEU 57 Cb 1.19 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 2d8d h LEU 57 CO 0.08 1.17 -0.66 0.71 0.09 0.00 0.00 178.44 179.83 2d8d h THR 58 N 0.73 1.33 -0.71 0.22 1.35 -1.20 -1.30 112.91 113.32 2d8d h THR 58 Ca 0.07 -1.96 -0.05 0.00 -0.55 0.00 0.00 66.41 63.92 2d8d h THR 58 Cb 0.92 1.93 -0.03 0.00 -1.73 0.00 0.00 68.15 69.24 2d8d h THR 58 CO 0.08 0.60 0.26 0.00 -0.25 0.00 0.00 175.52 176.21 2d8d h ALA 59 N 0.87 1.10 -0.01 6.62 0.00 -1.13 -2.87 119.26 123.84 2d8d h ALA 59 Ca -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2d8d h ALA 59 Cb 1.24 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2d8d h ALA 59 CO 0.12 0.63 -0.16 0.39 0.00 0.00 0.00 179.25 180.23 2d8d n GLU 60 N -4.28 1.10 -1.61 0.00 1.02 -0.17 -4.93 120.64 111.77 2d8d n GLU 60 Ca 0.06 -0.63 -0.50 0.00 -0.02 0.00 0.00 57.16 56.07 2d8d n GLU 60 Cb 0.20 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 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 -0.40 2.85 -0.35 1.62 5.15 -0.50 -4.84 115.26 118.79 2d8d n ASN 61 Ca 0.15 0.77 0.14 0.00 -0.60 0.00 0.00 54.58 55.04 2d8d n ASN 61 Cb 0.34 -1.31 0.53 0.00 -0.53 0.00 0.00 39.78 38.81 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 7.03 1.32 0.00 1.20 -0.04 -1.26 -5.06 135.00 138.19 2d8d n PRO 62 Ca 0.29 -0.71 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 2d8d n PRO 62 Cb 0.25 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 1.21 -1.06 0.00 0.55 0.00 -1.26 -4.94 105.19 99.69 2d8d n GLY 63 Ca 0.17 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.11 0.22 -2.27 1.61 -0.04 -1.26 -5.09 135.00 127.06 2d8d n PRO 64 Ca 0.00 0.05 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 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 -2.74 3.21 0.68 0.54 0.40 -1.26 -5.00 117.98 113.81 2d8d s PHE 65 Ca 0.20 1.54 -0.14 0.00 -0.60 0.00 0.00 56.93 57.92 2d8d s PHE 65 Cb 0.17 -3.48 0.01 0.00 0.51 0.00 0.00 43.02 40.23 2d8d s PHE 65 CO 0.43 -1.32 1.11 -2.14 0.70 0.00 0.00 175.22 174.00 2d8d s PRO 66 N -1.82 2.69 0.28 0.24 0.02 -1.26 -4.81 135.00 130.33 2d8d s PRO 66 Ca 0.50 1.39 0.02 0.00 0.02 0.00 0.00 61.00 62.92 2d8d s PRO 66 Cb -0.35 -1.94 0.61 0.00 0.02 0.00 0.00 34.50 32.85 2d8d s PRO 66 CO 0.46 -1.34 1.79 -0.44 -0.33 0.00 0.00 177.00 177.13 2d8d h ASP 67 N -0.14 0.74 -0.63 2.53 3.32 -1.94 -0.56 116.42 119.75 2d8d h ASP 67 Ca -0.46 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 2d8d h ASP 67 Cb 1.25 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 2d8d h ASP 67 CO 0.53 0.32 0.38 -0.08 -1.72 0.00 0.00 179.24 178.67 2d8d h GLU 68 N 0.78 0.87 -0.25 3.56 4.22 -1.99 0.15 114.58 121.93 2d8d h GLU 68 Ca 0.52 -0.08 -0.09 0.00 0.08 0.00 0.00 59.36 59.79 2d8d h GLU 68 Cb 0.70 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2d8d h GLU 68 CO -0.34 0.62 -0.19 1.15 -2.18 0.00 0.00 179.01 178.07 2d8d h THR 69 N 0.89 1.31 -0.67 0.32 2.02 -1.48 -0.31 112.91 114.99 2d8d h THR 69 Ca 0.23 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 66.08 2d8d h THR 69 Cb -0.02 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.98 2d8d h THR 69 CO -0.04 0.42 0.43 0.40 0.37 0.00 0.00 175.52 177.10 2d8d h ILE 70 N 0.29 1.18 -0.40 3.11 1.08 -0.90 -0.02 117.51 121.86 2d8d h ILE 70 Ca 0.05 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 64.18 2d8d h ILE 70 Cb 0.73 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 2d8d h ILE 70 CO 0.05 0.17 0.24 -0.09 -0.69 0.00 0.00 178.15 177.84 2d8d h ARG 71 N 0.91 0.54 -0.16 2.37 2.43 -0.83 -1.43 114.38 118.20 2d8d h ARG 71 Ca 0.24 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 2d8d h ARG 71 Cb -0.09 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2d8d h ARG 71 CO -0.05 0.40 0.09 -0.22 -1.51 0.00 0.00 179.97 178.68 2d8d h LYS 72 N 0.52 0.19 -0.38 0.20 3.64 -0.52 -0.89 116.57 119.33 2d8d h LYS 72 Ca 0.14 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2d8d h LYS 72 Cb -0.00 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2d8d h LYS 72 CO -0.03 0.12 0.19 -0.07 -2.27 0.00 0.00 179.45 177.40 2d8d h LEU 73 N 0.19 0.49 -1.07 5.20 3.38 -0.85 -2.20 115.31 120.45 2d8d h LEU 73 Ca 0.06 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2d8d h LEU 73 Cb -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2d8d h LEU 73 CO -0.03 0.46 -0.39 -0.26 0.09 0.00 0.00 178.44 178.31 2d8d h PHE 74 N 0.48 0.16 -0.57 1.13 0.04 -1.15 -1.39 116.94 115.64 2d8d h PHE 74 Ca 0.13 -0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 2d8d h PHE 74 Cb 0.10 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.18 2d8d h PHE 74 CO -0.02 0.52 0.19 0.87 -0.60 0.00 0.00 178.31 179.27 2d8d h LYS 75 N 0.12 0.84 -0.52 1.51 1.57 -0.84 0.21 116.57 119.46 2d8d h LYS 75 Ca 0.01 -0.15 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 2d8d h LYS 75 Cb 0.75 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2d8d h LYS 75 CO 0.06 0.72 -0.05 0.93 -0.57 0.00 0.00 179.45 180.54 2d8d h GLU 76 N 0.83 0.95 -0.70 3.15 4.39 -0.79 0.01 114.58 122.42 2d8d h GLU 76 Ca 0.19 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 2d8d h GLU 76 Cb 0.22 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 2d8d h GLU 76 CO -0.01 0.99 0.20 0.82 -1.16 0.00 0.00 179.01 179.84 2d8d h ILE 77 N 0.82 1.26 -0.16 3.13 2.04 -0.52 -1.35 117.51 122.74 2d8d h ILE 77 Ca 0.14 -0.92 -0.11 0.00 1.00 0.00 0.00 64.86 64.96 2d8d h ILE 77 Cb 0.59 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2d8d h ILE 77 CO 0.04 0.36 -0.40 -0.26 0.00 0.00 0.00 178.15 177.89 2d8d h PHE 78 N 1.04 0.41 -0.35 1.37 0.04 -0.38 -2.49 116.94 116.58 2d8d h PHE 78 Ca 0.22 -0.11 -0.05 0.00 2.80 0.00 0.00 57.97 60.84 2d8d h PHE 78 Cb 0.34 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 2d8d h PHE 78 CO 0.03 0.70 0.04 -0.22 -0.60 0.00 0.00 178.31 178.26 2d8d h LYS 79 N 0.30 0.59 -0.22 1.51 3.64 -0.58 -2.49 116.57 119.32 2d8d h LYS 79 Ca 0.03 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 2d8d h LYS 79 Cb 0.83 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 2d8d h LYS 79 CO 0.07 0.68 0.07 0.00 -2.27 0.00 0.00 179.45 177.99 2d8d h ALA 80 N 0.89 1.71 -0.13 5.00 0.00 -1.10 -2.37 119.26 123.26 2d8d h ALA 80 Ca 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2d8d h ALA 80 Cb 0.38 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2d8d h ALA 80 CO 0.01 0.23 -0.02 0.77 0.00 0.00 0.00 179.25 180.24 2d8d h SER 81 N 0.31 0.25 -0.63 0.00 0.02 -1.10 -1.72 113.55 110.68 2d8d h SER 81 Ca 0.08 -0.35 0.02 0.00 -0.84 0.00 0.00 61.79 60.70 2d8d h SER 81 Cb 0.10 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 2d8d h SER 81 CO -0.01 0.55 0.40 -0.07 -1.14 0.00 0.00 176.83 176.56 2d8d h LEU 82 N -0.04 0.66 -0.49 5.07 3.38 -1.16 0.57 115.31 123.30 2d8d h LEU 82 Ca 0.04 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2d8d h LEU 82 Cb 0.43 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 2d8d h LEU 82 CO 0.01 0.47 0.16 -0.78 0.09 0.00 0.00 178.44 178.39 2d8d h ASP 83 N 0.79 0.15 -0.25 -0.43 3.58 -1.34 -1.84 116.42 117.07 2d8d h ASP 83 Ca 0.25 0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.68 2d8d h ASP 83 Cb -0.01 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2d8d h ASP 83 CO -0.09 0.11 -0.09 0.25 -2.88 0.00 0.00 179.24 176.54 2d8d h LEU 84 N 0.33 0.62 0.00 2.28 5.85 -0.38 -3.52 115.31 120.49 2d8d h LEU 84 Ca 0.24 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2d8d h LEU 84 Cb 0.26 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2d8d h LEU 84 CO -0.25 0.75 0.00 -0.62 -0.34 0.00 0.00 178.44 177.97