#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dfg s THR 18 N 0.00 3.63 0.25 5.09 -4.23 -1.26 -4.81 115.64 114.31 3dfg s THR 18 Ca 0.00 0.53 -0.03 0.00 -1.18 0.00 0.00 61.69 61.01 3dfg s THR 18 Cb 0.00 -3.28 0.24 0.00 1.34 0.00 0.00 72.50 70.80 3dfg s THR 18 CO 0.00 -0.69 1.85 -0.65 -0.54 0.00 0.00 174.62 174.59 3dfg h PRO 19 N -0.87 0.96 -0.57 3.99 0.11 -1.99 -0.58 132.00 133.05 3dfg h PRO 19 Ca -0.45 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 3dfg h PRO 19 Cb 1.23 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 3dfg h PRO 19 CO 0.58 0.64 0.21 0.28 -0.21 0.00 0.00 178.00 179.50 3dfg h VAL 20 N 0.99 1.23 -0.71 3.15 2.07 -1.92 -0.18 116.25 120.88 3dfg h VAL 20 Ca 0.41 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 3dfg h VAL 20 Cb 0.26 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3dfg h VAL 20 CO -0.20 0.28 0.24 1.56 0.02 0.00 0.00 177.57 179.47 3dfg h GLN 21 N 0.79 1.10 -0.13 1.57 4.20 -1.71 -0.12 115.11 120.80 3dfg h GLN 21 Ca 0.19 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3dfg h GLN 21 Cb 0.23 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 3dfg h GLN 21 CO -0.01 0.93 0.04 0.00 -0.67 0.00 0.00 178.83 179.11 3dfg h ARG 22 N 1.04 0.21 -0.76 1.46 3.08 -0.86 -1.65 114.38 116.90 3dfg h ARG 22 Ca 0.23 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.18 3dfg h ARG 22 Cb 0.28 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 3dfg h ARG 22 CO -0.01 0.36 0.28 0.00 -1.07 0.00 0.00 179.97 179.53 3dfg h ALA 23 N 0.84 1.05 -0.63 0.04 0.00 -0.89 -2.36 119.26 117.30 3dfg h ALA 23 Ca 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3dfg h ALA 23 Cb 0.24 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3dfg h ALA 23 CO -0.00 0.66 0.32 1.25 0.00 0.00 0.00 179.25 181.48 3dfg h LEU 24 N 1.12 0.81 -1.51 0.00 5.85 -0.91 -1.62 115.31 119.06 3dfg h LEU 24 Ca 0.25 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3dfg h LEU 24 Cb 0.25 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3dfg h LEU 24 CO -0.02 0.70 0.35 1.23 -0.34 0.00 0.00 178.44 180.37 3dfg h GLY 25 N 0.87 0.72 0.86 3.75 0.00 -0.91 -0.62 103.07 107.73 3dfg h GLY 25 Ca 0.22 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.21 3dfg h GLY 25 CO -0.03 0.23 -0.18 1.41 0.00 0.00 0.00 176.54 177.97 3dfg h LEU 26 N 0.65 0.56 -1.68 3.11 3.38 -0.89 -3.09 115.31 117.34 3dfg h LEU 26 Ca 0.21 -0.45 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3dfg h LEU 26 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3dfg h LEU 26 CO -0.05 0.89 -0.19 -0.07 0.09 0.00 0.00 178.44 179.11 3dfg h LEU 27 N 0.22 0.00 -1.38 1.67 3.38 -0.59 -1.55 115.31 117.06 3dfg h LEU 27 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3dfg h LEU 27 Cb 0.72 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3dfg h LEU 27 CO 0.05 0.19 -0.21 0.58 0.09 0.00 0.00 178.44 179.14 3dfg h VAL 28 N 0.00 1.20 0.10 1.22 2.07 -1.06 -3.07 116.25 116.71 3dfg h VAL 28 Ca -0.00 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 3dfg h VAL 28 Cb 0.40 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3dfg h VAL 28 CO 0.02 0.27 -0.05 -0.74 0.02 0.00 0.00 177.57 177.10 3dfg h HIS 29 N 0.14 -0.12 -2.68 1.57 -0.00 -1.29 -3.49 115.15 109.29 3dfg h HIS 29 Ca 0.03 -0.00 0.11 0.00 -0.00 0.00 0.00 60.37 60.51 3dfg h HIS 29 Cb 0.45 0.04 -0.07 0.00 -0.00 0.00 0.00 27.41 27.83 3dfg h HIS 29 CO 0.00 0.40 0.35 -0.98 -0.00 0.00 0.00 177.93 177.71 3dfg s ARG 30 N -3.11 1.45 0.32 5.26 1.70 -0.95 -5.14 118.95 118.48 3dfg s ARG 30 Ca -0.13 -0.78 -0.29 0.00 -0.47 0.00 0.00 55.73 54.06 3dfg s ARG 30 Cb -0.00 0.51 -0.10 0.00 -0.57 0.00 0.00 34.95 34.78 3dfg s ARG 30 CO 0.50 -0.66 1.38 -1.21 -1.08 0.00 0.00 175.30 174.23 3dfg s GLU 31 N -3.59 4.29 0.09 3.89 0.41 -1.26 -4.00 118.70 118.52 3dfg s GLU 31 Ca 0.11 2.31 0.06 0.00 -0.41 0.00 0.00 54.97 57.03 3dfg s GLU 31 Cb -0.03 -3.06 -0.03 0.00 -1.78 0.00 0.00 34.13 29.22 3dfg s GLU 31 CO 0.03 -0.32 -0.16 -1.01 -0.49 0.00 0.00 175.26 173.31 3dfg s HIS 32 N -0.82 1.42 0.65 1.61 3.76 -1.26 -4.95 115.29 115.69 3dfg s HIS 32 Ca 0.52 -0.47 -0.08 0.00 -0.15 0.00 0.00 55.06 54.88 3dfg s HIS 32 Cb -0.42 -0.78 0.02 0.00 1.11 0.00 0.00 32.58 32.51 3dfg s HIS 32 CO 0.52 0.12 0.99 -1.54 -0.85 0.00 0.00 174.74 173.98 3dfg s SER 33 N -1.96 5.46 0.15 1.40 1.04 -1.26 -4.60 113.70 113.93 3dfg s SER 33 Ca 0.03 0.85 -0.15 0.00 0.48 0.00 0.00 55.95 57.17 3dfg s SER 33 Cb -0.09 -1.74 0.03 0.00 0.10 0.00 0.00 66.02 64.33 3dfg s SER 33 CO 0.03 -1.22 1.73 0.11 0.98 0.00 0.00 173.24 174.87 3dfg h LYS 34 N -0.40 0.69 -0.78 4.02 1.57 -1.95 -1.00 116.57 118.71 3dfg h LYS 34 Ca -0.45 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.19 3dfg h LYS 34 Cb 1.26 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.41 3dfg h LYS 34 CO 0.62 0.58 0.36 -0.22 -0.57 0.00 0.00 179.45 180.22 3dfg h LYS 35 N 0.63 1.13 -0.36 3.15 3.64 -1.94 -1.34 116.57 121.48 3dfg h LYS 35 Ca 0.16 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 3dfg h LYS 35 Cb 0.12 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3dfg h LYS 35 CO -0.02 0.89 0.09 1.49 -2.27 0.00 0.00 179.45 179.63 3dfg h GLU 36 N 1.11 0.58 -0.60 1.90 4.81 -1.82 -1.39 114.58 119.16 3dfg h GLU 36 Ca 0.27 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 3dfg h GLU 36 Cb 0.14 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3dfg h GLU 36 CO -0.03 0.62 0.15 -0.07 -0.73 0.00 0.00 179.01 178.95 3dfg h LEU 37 N 0.43 0.91 -0.25 1.64 3.38 -1.01 -1.02 115.31 119.39 3dfg h LEU 37 Ca 0.11 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3dfg h LEU 37 Cb 0.30 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3dfg h LEU 37 CO 0.00 0.90 0.13 -1.13 0.09 0.00 0.00 178.44 178.43 3dfg h ASN 38 N 0.88 0.20 -0.30 -0.43 -0.73 -1.10 -0.25 115.58 113.84 3dfg h ASN 38 Ca 0.19 0.01 -0.00 0.00 1.87 0.00 0.00 56.30 58.37 3dfg h ASN 38 Cb 0.34 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 3dfg h ASN 38 CO 0.00 0.15 0.18 -0.09 -0.37 0.00 0.00 177.43 177.30 3dfg h ARG 39 N 0.27 0.40 -0.71 6.67 2.43 -1.02 -0.79 114.38 121.64 3dfg h ARG 39 Ca 0.10 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 3dfg h ARG 39 Cb 0.02 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3dfg h ARG 39 CO -0.07 0.30 0.30 0.87 -1.51 0.00 0.00 179.97 179.87 3dfg h LYS 40 N 0.39 1.03 -0.29 0.20 1.57 -0.91 -0.41 116.57 118.15 3dfg h LYS 40 Ca 0.11 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 3dfg h LYS 40 Cb 0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 3dfg h LYS 40 CO -0.02 0.82 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.42 3dfg h LEU 41 N 1.01 0.67 -1.50 2.94 3.38 -0.81 -2.89 115.31 118.11 3dfg h LEU 41 Ca 0.24 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 3dfg h LEU 41 Cb 0.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3dfg h LEU 41 CO -0.03 0.96 -0.16 1.56 0.09 0.00 0.00 178.44 180.86 3dfg h GLN 42 N 0.38 0.12 0.00 1.13 4.20 -0.88 -1.22 115.11 118.84 3dfg h GLN 42 Ca 0.06 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 3dfg h GLN 42 Cb 0.73 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 3dfg h GLN 42 CO 0.05 0.29 -0.04 0.00 -0.67 0.00 0.00 178.83 178.46 3dfg h ALA 43 N 1.72 1.05 -0.49 3.87 0.00 -0.87 -1.62 119.26 122.93 3dfg h ALA 43 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3dfg h ALA 43 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3dfg h ALA 43 CO 0.02 0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.86 3dfg n ARG 44 N -3.22 2.18 -0.23 0.00 1.74 -0.48 -4.92 116.66 111.74 3dfg n ARG 44 Ca -0.01 -1.84 0.00 0.00 -0.77 0.00 0.00 57.85 55.24 3dfg n ARG 44 Cb 0.24 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3dfg n ARG 44 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dfg n GLY 45 N 1.32 0.64 3.73 -0.13 0.00 -0.61 -5.06 105.19 105.09 3dfg n GLY 45 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3dfg n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dfg s ILE 46 N -2.48 3.78 0.51 -0.61 1.01 -1.07 -4.99 121.20 117.34 3dfg s ILE 46 Ca 0.00 1.44 -0.22 0.00 0.00 0.00 0.00 60.65 61.86 3dfg s ILE 46 Cb 0.00 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.50 3dfg s ILE 46 CO 0.00 0.20 1.31 -1.61 0.00 0.00 0.00 174.94 174.84 3dfg s GLU 47 N 0.10 3.35 0.18 2.79 0.41 -1.26 -4.21 118.70 120.06 3dfg s GLU 47 Ca 0.54 2.13 -0.23 0.00 -0.41 0.00 0.00 54.97 57.00 3dfg s GLU 47 Cb -0.31 -2.33 0.09 0.00 -1.78 0.00 0.00 34.13 29.80 3dfg s GLU 47 CO 0.34 -0.99 1.57 -1.35 -0.49 0.00 0.00 175.26 174.34 3dfg h PRO 48 N 1.69 -0.17 -0.58 0.39 0.11 -1.97 0.84 132.00 132.32 3dfg h PRO 48 Ca -0.50 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 3dfg h PRO 48 Cb 1.28 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.41 3dfg h PRO 48 CO 0.58 -0.11 0.07 0.93 -0.21 0.00 0.00 178.00 179.26 3dfg h GLU 49 N -0.17 0.94 -0.34 1.05 5.08 -1.99 -1.14 114.58 118.00 3dfg h GLU 49 Ca 0.22 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 3dfg h GLU 49 Cb 0.56 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3dfg h GLU 49 CO -0.72 0.89 -0.22 0.00 -1.00 0.00 0.00 179.01 177.96 3dfg h ALA 50 N 1.18 0.97 -0.10 3.43 0.00 -1.75 -0.92 119.26 122.07 3dfg h ALA 50 Ca 0.18 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3dfg h ALA 50 Cb 0.42 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3dfg h ALA 50 CO 0.01 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.87 3dfg h ALA 51 N 1.17 0.14 -0.97 0.00 0.00 -0.52 -2.28 119.26 116.80 3dfg h ALA 51 Ca 0.09 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.85 3dfg h ALA 51 Cb 0.69 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 3dfg h ALA 51 CO 0.05 -0.18 0.64 0.37 0.00 0.00 0.00 179.25 180.13 3dfg h GLN 52 N -0.09 1.19 -0.64 0.00 5.75 -1.05 -2.11 115.11 118.16 3dfg h GLN 52 Ca 0.03 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 58.38 3dfg h GLN 52 Cb 0.35 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 3dfg h GLN 52 CO 0.01 0.79 0.10 0.00 -2.65 0.00 0.00 178.83 177.07 3dfg h ALA 53 N 1.43 0.97 -0.62 3.38 0.00 -1.05 -1.52 119.26 121.86 3dfg h ALA 53 Ca 0.39 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3dfg h ALA 53 Cb 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3dfg h ALA 53 CO -0.12 0.65 0.19 0.00 0.00 0.00 0.00 179.25 179.96 3dfg h ALA 54 N 1.12 0.81 -0.32 0.00 0.00 -0.87 -0.61 119.26 119.39 3dfg h ALA 54 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3dfg h ALA 54 Cb 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dfg h ALA 54 CO 0.01 0.48 0.10 0.28 0.00 0.00 0.00 179.25 180.12 3dfg h VAL 55 N 0.88 1.20 -0.39 0.00 2.07 -1.16 -1.97 116.25 116.89 3dfg h VAL 55 Ca 0.20 -0.66 -0.05 0.00 0.82 0.00 0.00 66.70 67.01 3dfg h VAL 55 Cb 0.30 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 3dfg h VAL 55 CO -0.01 0.22 0.04 -0.33 0.02 0.00 0.00 177.57 177.52 3dfg h GLU 56 N 0.35 0.60 -0.45 1.57 4.39 -1.09 -0.46 114.58 119.50 3dfg h GLU 56 Ca 0.10 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 3dfg h GLU 56 Cb 0.24 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3dfg h GLU 56 CO -0.00 0.59 0.10 -0.09 -1.16 0.00 0.00 179.01 178.45 3dfg h ARG 57 N 0.58 0.73 -0.06 2.33 2.43 -0.85 0.01 114.38 119.54 3dfg h ARG 57 Ca 0.13 -0.18 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 3dfg h ARG 57 Cb 0.30 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3dfg h ARG 57 CO 0.01 0.73 -0.42 -0.07 -1.51 0.00 0.00 179.97 178.70 3dfg h LEU 58 N 0.60 0.14 -0.29 3.80 3.38 -0.89 -0.83 115.31 121.23 3dfg h LEU 58 Ca 0.14 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3dfg h LEU 58 Cb 0.33 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3dfg h LEU 58 CO 0.00 0.55 -0.26 0.00 0.09 0.00 0.00 178.44 178.82 3dfg h ALA 59 N 1.46 0.42 -0.38 1.53 0.00 -0.83 0.40 119.26 121.86 3dfg h ALA 59 Ca 0.01 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.48 3dfg h ALA 59 Cb 0.79 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3dfg h ALA 59 CO 0.06 0.41 0.04 0.78 0.00 0.00 0.00 179.25 180.55 3dfg h GLY 60 N 0.42 0.63 0.09 0.00 0.00 -0.68 -2.28 103.07 101.25 3dfg h GLY 60 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3dfg h GLY 60 CO 0.07 0.33 0.00 1.18 0.00 0.00 0.00 176.54 178.12 3dfg n GLU 61 N -4.29 1.26 -0.70 4.80 1.02 -0.35 -4.91 120.64 117.47 3dfg n GLU 61 Ca 0.02 -0.38 0.00 0.00 -0.02 0.00 0.00 57.16 56.78 3dfg n GLU 61 Cb 0.23 -1.33 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 3dfg n GLU 61 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3dfg n GLY 62 N 0.91 0.63 0.10 0.62 0.00 -0.86 -4.97 105.19 101.63 3dfg n GLY 62 Ca 0.15 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 3dfg n GLY 62 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dfg n TRP 63 N -2.70 0.65 -4.77 1.61 7.02 0.10 -4.94 117.44 114.42 3dfg n TRP 63 Ca 0.00 0.21 -0.33 0.00 -1.02 0.00 0.00 57.50 56.35 3dfg n TRP 63 Cb 0.00 -1.11 -0.13 0.00 -2.42 0.00 0.00 31.31 27.65 3dfg n TRP 63 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 3dfg s GLN 64 N -2.55 2.76 -0.27 -0.99 -0.44 -1.02 -4.96 119.66 112.18 3dfg s GLN 64 Ca -0.12 -0.64 -0.06 0.00 -2.50 0.00 0.00 55.36 52.04 3dfg s GLN 64 Cb 0.07 -2.51 0.14 0.00 -1.64 0.00 0.00 33.01 29.07 3dfg s GLN 64 CO 0.79 0.56 0.56 0.34 0.50 0.00 0.00 175.29 178.05 3dfg s ASP 65 N -0.55 -0.90 0.51 6.67 -1.08 -1.26 -4.43 116.67 115.64 3dfg s ASP 65 Ca 0.08 1.15 0.29 0.00 -0.52 0.00 0.00 52.55 53.54 3dfg s ASP 65 Cb -0.12 1.97 1.37 0.00 -1.46 0.00 0.00 42.92 44.68 3dfg s ASP 65 CO 0.02 -0.24 2.02 0.44 0.52 0.00 0.00 175.17 177.92 3dfg h ASP 66 N 8.05 0.00 -0.08 -0.34 5.19 -1.98 -1.19 116.42 126.06 3dfg h ASP 66 Ca -0.19 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.14 3dfg h ASP 66 Cb 1.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.63 3dfg h ASP 66 CO 0.16 0.13 -0.25 0.58 -3.12 0.00 0.00 179.24 176.74 3dfg h VAL 67 N 0.00 1.41 -0.46 -1.35 2.07 -1.98 -1.37 116.25 114.57 3dfg h VAL 67 Ca -0.00 -1.60 -0.08 0.00 0.82 0.00 0.00 66.70 65.84 3dfg h VAL 67 Cb 0.45 2.22 -0.02 0.00 -1.52 0.00 0.00 31.29 32.42 3dfg h VAL 67 CO 0.02 0.46 -0.03 0.03 0.02 0.00 0.00 177.57 178.06 3dfg h ARG 68 N -0.15 0.78 0.03 1.57 3.08 -1.95 -2.19 114.38 115.56 3dfg h ARG 68 Ca -0.01 -0.22 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 3dfg h ARG 68 Cb 0.87 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.83 3dfg h ARG 68 CO 0.05 0.81 -0.01 0.35 -1.07 0.00 0.00 179.97 180.10 3dfg h PHE 69 N 0.73 -0.04 -0.80 3.04 3.57 -1.17 -0.87 116.94 121.41 3dfg h PHE 69 Ca 0.14 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.66 3dfg h PHE 69 Cb 0.49 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.20 3dfg h PHE 69 CO 0.03 -0.00 0.51 0.00 -2.23 0.00 0.00 178.31 176.62 3dfg h ALA 70 N 0.90 1.04 -0.61 2.41 0.00 -1.05 -1.34 119.26 120.61 3dfg h ALA 70 Ca -0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3dfg h ALA 70 Cb 0.06 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3dfg h ALA 70 CO 0.01 0.35 0.12 0.00 0.00 0.00 0.00 179.25 179.73 3dfg h ALA 71 N 1.32 1.06 -0.53 0.00 0.00 -1.21 -2.21 119.26 117.70 3dfg h ALA 71 Ca 0.31 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3dfg h ALA 71 Cb -0.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3dfg h ALA 71 CO -0.10 0.61 0.03 0.66 0.00 0.00 0.00 179.25 180.45 3dfg h SER 72 N 0.92 0.85 -0.25 0.00 4.64 -0.35 -1.90 113.55 117.46 3dfg h SER 72 Ca 0.19 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 3dfg h SER 72 Cb 0.37 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 3dfg h SER 72 CO 0.01 0.89 0.04 0.58 -0.87 0.00 0.00 176.83 177.47 3dfg h VAL 73 N 0.83 1.23 -0.39 0.95 2.07 -1.01 -0.30 116.25 119.63 3dfg h VAL 73 Ca 0.16 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.93 3dfg h VAL 73 Cb 0.45 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3dfg h VAL 73 CO 0.02 0.25 0.19 0.58 0.02 0.00 0.00 177.57 178.63 3dfg h VAL 74 N 0.22 0.98 0.18 2.57 2.07 -1.24 0.41 116.25 121.43 3dfg h VAL 74 Ca 0.07 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3dfg h VAL 74 Cb 0.34 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 3dfg h VAL 74 CO 0.01 0.07 -0.08 -0.09 0.02 0.00 0.00 177.57 177.49 3dfg h ARG 75 N 0.40 -0.23 -0.44 1.57 2.43 -1.24 -1.41 114.38 115.46 3dfg h ARG 75 Ca 0.17 0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 3dfg h ARG 75 Cb 0.07 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3dfg h ARG 75 CO -0.12 -0.06 -0.04 -0.91 -1.51 0.00 0.00 179.97 177.33 3dfg h ASN 76 N -0.36 0.80 -0.16 -3.80 -0.26 -0.93 -2.42 115.58 108.45 3dfg h ASN 76 Ca -0.02 -0.33 -0.14 0.00 -0.56 0.00 0.00 56.30 55.25 3dfg h ASN 76 Cb 0.28 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.31 3dfg h ASN 76 CO 0.04 0.94 -0.37 0.03 -1.06 0.00 0.00 177.43 177.01 3dfg h ARG 77 N 0.64 0.69 -0.36 0.81 2.47 -0.95 -2.70 114.38 114.97 3dfg h ARG 77 Ca 0.12 -0.34 -0.00 0.00 -1.26 0.00 0.00 59.98 58.50 3dfg h ARG 77 Cb 0.56 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.86 3dfg h ARG 77 CO 0.03 0.95 0.22 0.00 0.56 0.00 0.00 179.97 181.73 3dfg h ALA 78 N 1.02 0.46 0.00 0.04 0.00 -1.17 -1.73 119.26 117.89 3dfg h ALA 78 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dfg h ALA 78 Cb 0.89 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3dfg h ALA 78 CO 0.08 -0.04 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 3dfg n SER 79 N -4.79 0.00 -0.83 0.00 3.41 -0.92 -2.89 113.62 107.59 3dfg n SER 79 Ca -0.00 0.07 0.06 0.00 -0.26 0.00 0.00 58.87 58.74 3dfg n SER 79 Cb 0.05 -0.32 0.23 0.00 -0.26 0.00 0.00 64.21 63.92 3dfg n SER 79 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dfg n SER 80 N -1.32 3.42 -0.55 4.04 3.41 -0.82 -4.99 113.62 116.80 3dfg n SER 80 Ca 0.09 -3.17 -0.05 0.00 -0.26 0.00 0.00 58.87 55.48 3dfg n SER 80 Cb 0.18 -0.55 -0.00 0.00 -0.26 0.00 0.00 64.21 63.58 3dfg n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dfg n GLY 81 N -0.75 0.19 3.72 5.00 0.00 -1.14 -5.03 105.19 107.18 3dfg n GLY 81 Ca 0.23 -0.69 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 3dfg n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dfg s TYR 82 N -2.24 3.12 0.58 1.61 1.51 -0.71 -4.90 117.35 116.32 3dfg s TYR 82 Ca 0.00 0.08 -0.00 0.00 -1.01 0.00 0.00 57.07 56.14 3dfg s TYR 82 Cb 0.00 -1.64 0.04 0.00 -0.11 0.00 0.00 41.96 40.25 3dfg s TYR 82 CO 0.00 0.49 0.82 0.20 -1.11 0.00 0.00 175.55 175.96 3dfg s GLY 83 N -1.94 1.80 0.37 0.71 0.00 0.14 -4.43 107.32 103.98 3dfg s GLY 83 Ca 0.24 -1.27 0.07 0.00 0.00 0.00 0.00 44.72 43.76 3dfg s GLY 83 CO 0.15 -0.95 1.96 -0.56 0.00 0.00 0.00 173.10 173.70 3dfg h PRO 84 N -0.07 0.67 -0.38 2.90 0.13 -1.84 -1.97 132.00 131.44 3dfg h PRO 84 Ca -0.42 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 3dfg h PRO 84 Cb 1.30 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3dfg h PRO 84 CO 0.53 0.44 -0.32 -0.07 -0.23 0.00 0.00 178.00 178.35 3dfg h LEU 85 N 0.69 0.90 -0.10 1.56 3.38 -1.50 -1.18 115.31 119.06 3dfg h LEU 85 Ca 0.32 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3dfg h LEU 85 Cb 0.34 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dfg h LEU 85 CO -0.11 1.15 0.02 -0.74 0.09 0.00 0.00 178.44 178.85 3dfg h HIS 86 N 0.72 0.17 -0.63 1.13 2.76 -1.35 -1.98 115.15 115.98 3dfg h HIS 86 Ca 0.07 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.21 3dfg h HIS 86 Cb 0.89 -0.05 -0.03 0.00 1.55 0.00 0.00 27.41 29.77 3dfg h HIS 86 CO 0.05 0.34 0.34 0.82 -1.30 0.00 0.00 177.93 178.18 3dfg h ILE 87 N -0.04 1.20 -0.60 6.26 2.04 -1.32 0.66 117.51 125.71 3dfg h ILE 87 Ca 0.03 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.35 3dfg h ILE 87 Cb 0.25 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3dfg h ILE 87 CO 0.00 0.22 0.28 0.03 0.00 0.00 0.00 178.15 178.68 3dfg h ARG 88 N 0.85 0.87 -0.50 2.37 3.08 -1.18 -0.27 114.38 119.60 3dfg h ARG 88 Ca 0.22 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3dfg h ARG 88 Cb 0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3dfg h ARG 88 CO -0.03 0.71 0.18 0.00 -1.07 0.00 0.00 179.97 179.75 3dfg h ALA 89 N 1.11 0.65 -0.28 0.04 0.00 -0.99 -1.55 119.26 118.25 3dfg h ALA 89 Ca 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3dfg h ALA 89 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3dfg h ALA 89 CO -0.02 0.28 0.13 1.49 0.00 0.00 0.00 179.25 181.13 3dfg h GLU 90 N 0.67 0.40 -0.45 0.00 4.81 -0.53 -2.40 114.58 117.07 3dfg h GLU 90 Ca 0.16 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3dfg h GLU 90 Cb 0.24 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3dfg h GLU 90 CO -0.01 0.39 0.25 -0.07 -0.73 0.00 0.00 179.01 178.84 3dfg h LEU 91 N 0.31 0.55 -1.18 1.64 3.38 -0.93 -1.86 115.31 117.22 3dfg h LEU 91 Ca 0.10 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3dfg h LEU 91 Cb 0.13 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3dfg h LEU 91 CO -0.01 0.44 0.10 1.23 0.09 0.00 0.00 178.44 180.30 3dfg h GLY 92 N 0.70 0.73 2.00 0.83 0.00 -0.81 -1.89 103.07 104.63 3dfg h GLY 92 Ca 0.16 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3dfg h GLY 92 CO -0.03 0.38 0.00 -1.30 0.00 0.00 0.00 176.54 175.59 3dfg n THR 93 N -4.30 0.83 0.26 4.70 -2.24 -0.70 -1.80 114.28 111.02 3dfg n THR 93 Ca 0.03 0.24 0.05 0.00 -2.27 0.00 0.00 64.05 62.10 3dfg n THR 93 Cb 0.21 -1.18 0.21 0.00 -2.10 0.00 0.00 70.33 67.47 3dfg n THR 93 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3dfg n HIS 94 N -2.25 0.91 -1.20 4.78 -0.00 -0.71 -4.89 115.22 111.84 3dfg n HIS 94 Ca 0.02 -0.35 -0.07 0.00 -0.00 0.00 0.00 57.72 57.32 3dfg n HIS 94 Cb 0.22 -0.19 -0.03 0.00 -0.00 0.00 0.00 29.99 29.99 3dfg n HIS 94 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3dfg n GLY 95 N 0.70 0.92 3.75 -1.41 0.00 -0.74 -4.51 105.19 103.89 3dfg n GLY 95 Ca 0.15 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 3dfg n GLY 95 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dfg s LEU 96 N -1.60 4.36 0.93 0.99 1.43 -1.21 -5.07 118.68 118.51 3dfg s LEU 96 Ca 0.00 1.04 -0.15 0.00 -1.03 0.00 0.00 54.13 53.99 3dfg s LEU 96 Cb 0.00 -2.85 0.17 0.00 0.03 0.00 0.00 46.19 43.54 3dfg s LEU 96 CO 0.00 0.05 1.28 1.51 0.23 0.00 0.00 176.35 179.42 3dfg s ASP 97 N 0.17 3.41 0.25 2.29 3.84 -1.26 -4.52 116.67 120.84 3dfg s ASP 97 Ca 0.30 0.42 -0.03 0.00 -0.00 0.00 0.00 52.55 53.24 3dfg s ASP 97 Cb -0.17 -0.59 0.48 0.00 -1.38 0.00 0.00 42.92 41.26 3dfg s ASP 97 CO 0.15 -2.56 1.76 0.77 -0.00 0.00 0.00 175.17 175.28 3dfg h SER 98 N -1.52 0.48 -0.30 2.11 4.64 -1.99 -0.68 113.55 116.28 3dfg h SER 98 Ca -0.45 0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 60.86 3dfg h SER 98 Cb 1.26 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.35 3dfg h SER 98 CO 0.45 0.21 -0.16 0.44 -0.87 0.00 0.00 176.83 176.90 3dfg h ASP 99 N 0.59 0.75 -0.39 4.97 5.19 -1.99 -0.78 116.42 124.77 3dfg h ASP 99 Ca 0.43 -0.25 -0.15 0.00 -0.62 0.00 0.00 57.03 56.45 3dfg h ASP 99 Cb 0.59 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.89 3dfg h ASP 99 CO -0.35 0.92 -0.33 0.00 -3.12 0.00 0.00 179.24 176.37 3dfg h ALA 100 N 1.14 0.64 -0.36 3.45 0.00 -1.71 -1.57 119.26 120.86 3dfg h ALA 100 Ca 0.11 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 3dfg h ALA 100 Cb 0.65 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3dfg h ALA 100 CO 0.05 0.67 -0.05 0.28 0.00 0.00 0.00 179.25 180.20 3dfg h VAL 101 N 0.78 1.27 -0.75 0.00 2.07 -0.99 -2.14 116.25 116.48 3dfg h VAL 101 Ca 0.08 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 3dfg h VAL 101 Cb 0.91 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.89 3dfg h VAL 101 CO 0.08 0.36 0.46 0.28 0.02 0.00 0.00 177.57 178.77 3dfg h SER 102 N 0.47 0.89 -0.71 0.57 0.02 -1.06 -0.23 113.55 113.51 3dfg h SER 102 Ca 0.10 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3dfg h SER 102 Cb 0.53 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 3dfg h SER 102 CO 0.03 0.69 0.34 0.00 -1.14 0.00 0.00 176.83 176.75 3dfg h ALA 103 N 1.24 0.91 -0.28 3.77 0.00 -1.18 -1.11 119.26 122.61 3dfg h ALA 103 Ca 0.27 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3dfg h ALA 103 Cb -0.05 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3dfg h ALA 103 CO -0.05 0.47 0.02 0.00 0.00 0.00 0.00 179.25 179.69 3dfg h ALA 104 N 1.16 0.37 0.00 0.00 0.00 -0.93 -2.78 119.26 117.08 3dfg h ALA 104 Ca 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3dfg h ALA 104 Cb 0.12 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3dfg h ALA 104 CO -0.03 0.09 -0.14 0.52 0.00 0.00 0.00 179.25 179.69 3dfg h MET 105 N 0.28 0.00 0.00 0.00 2.86 -0.82 -1.66 114.93 115.60 3dfg h MET 105 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3dfg h MET 105 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3dfg h MET 105 CO 0.01 0.14 0.00 0.00 1.06 0.00 0.00 176.91 178.12 3dfg n ALA 106 N -2.50 1.56 1.10 6.32 0.00 -0.44 -2.17 120.51 124.38 3dfg n ALA 106 Ca -0.03 0.08 0.14 0.00 0.00 0.00 0.00 53.44 53.63 3dfg n ALA 106 Cb 0.21 -1.34 0.59 0.00 0.00 0.00 0.00 19.45 18.91 3dfg n ALA 106 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3dfg n THR 107 N -2.10 0.00 -2.74 0.00 -2.24 -0.62 -4.77 114.28 101.81 3dfg n THR 107 Ca 0.02 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.37 3dfg n THR 107 Cb 0.19 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 3dfg n THR 107 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3dfg s PHE 108 N -2.89 3.49 -2.00 4.78 5.36 -0.92 -4.92 117.98 120.88 3dfg s PHE 108 Ca 0.17 1.51 0.17 0.00 -0.96 0.00 0.00 56.93 57.82 3dfg s PHE 108 Cb 0.19 -3.14 0.18 0.00 -0.34 0.00 0.00 43.02 39.91 3dfg s PHE 108 CO 0.54 -0.22 1.09 0.39 -1.46 0.00 0.00 175.22 175.55 3dfg n GLU 109 N 5.04 1.56 0.00 10.12 -0.58 -1.26 -5.00 120.64 130.52 3dfg n GLU 109 Ca 0.08 -1.63 0.00 0.00 -0.42 0.00 0.00 57.16 55.19 3dfg n GLU 109 Cb 0.49 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 30.02 3dfg n GLU 109 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dfg n GLY 110 N 0.96 0.66 2.77 0.62 0.00 -1.26 -5.10 105.19 103.85 3dfg n GLY 110 Ca 0.11 -1.70 -0.27 0.00 0.00 0.00 0.00 46.02 44.16 3dfg n GLY 110 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dfg s ASP 111 N -1.00 2.67 0.36 1.61 3.68 -1.26 -5.03 116.67 117.70 3dfg s ASP 111 Ca 0.00 -0.67 0.04 0.00 2.13 0.00 0.00 52.55 54.06 3dfg s ASP 111 Cb 0.00 -0.63 0.67 0.00 -1.45 0.00 0.00 42.92 41.51 3dfg s ASP 111 CO 0.00 -0.26 1.96 -0.50 0.13 0.00 0.00 175.17 176.50 3dfg h TRP 112 N 8.23 0.63 -0.54 -5.34 4.06 -1.99 -1.77 115.95 119.23 3dfg h TRP 112 Ca -0.18 -0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.66 3dfg h TRP 112 Cb 1.12 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 29.06 3dfg h TRP 112 CO 0.35 0.48 -0.01 1.15 -3.56 0.00 0.00 178.44 176.85 3dfg h THR 113 N 0.64 1.26 -0.73 1.49 2.02 -1.97 -1.88 112.91 113.75 3dfg h THR 113 Ca 0.16 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.20 3dfg h THR 113 Cb 0.09 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 3dfg h THR 113 CO -0.02 0.40 0.40 -0.33 0.37 0.00 0.00 175.52 176.34 3dfg h GLU 114 N 0.84 1.01 -0.32 6.66 4.39 -1.83 -0.95 114.58 124.37 3dfg h GLU 114 Ca 0.15 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 3dfg h GLU 114 Cb 0.55 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.98 3dfg h GLU 114 CO 0.03 0.74 -0.16 -0.91 -1.16 0.00 0.00 179.01 177.55 3dfg h ASN 115 N 1.02 0.57 -0.31 1.42 -0.26 -0.94 -0.12 115.58 116.95 3dfg h ASN 115 Ca 0.26 -0.17 -0.08 0.00 -0.56 0.00 0.00 56.30 55.76 3dfg h ASN 115 Cb 0.02 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.12 3dfg h ASN 115 CO -0.04 0.74 -0.10 0.00 -1.06 0.00 0.00 177.43 176.97 3dfg h ALA 116 N 1.31 0.43 -0.81 -0.83 0.00 -0.59 -1.78 119.26 117.00 3dfg h ALA 116 Ca 0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3dfg h ALA 116 Cb 0.57 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 3dfg h ALA 116 CO 0.04 0.28 0.41 -0.07 0.00 0.00 0.00 179.25 179.91 3dfg h LEU 117 N 0.38 1.03 -0.51 0.00 3.38 -0.92 -2.17 115.31 116.49 3dfg h LEU 117 Ca 0.08 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3dfg h LEU 117 Cb 0.60 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3dfg h LEU 117 CO 0.04 0.85 0.12 -0.78 0.09 0.00 0.00 178.44 178.75 3dfg h ASP 118 N 1.14 0.79 -0.66 -0.43 3.58 -0.86 -0.30 116.42 119.67 3dfg h ASP 118 Ca 0.28 -0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.50 3dfg h ASP 118 Cb 0.07 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.88 3dfg h ASP 118 CO -0.04 0.82 0.42 0.25 -2.88 0.00 0.00 179.24 177.82 3dfg h LEU 119 N 0.72 0.77 -0.72 2.28 5.85 -1.01 0.10 115.31 123.30 3dfg h LEU 119 Ca 0.16 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.75 3dfg h LEU 119 Cb 0.35 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3dfg h LEU 119 CO 0.00 0.57 -0.05 0.40 -0.34 0.00 0.00 178.44 179.02 3dfg h ILE 120 N 0.89 1.26 -0.60 4.05 1.08 -1.14 -2.41 117.51 120.63 3dfg h ILE 120 Ca 0.24 -1.16 -0.08 0.00 -0.39 0.00 0.00 64.86 63.48 3dfg h ILE 120 Cb -0.08 0.91 -0.02 0.00 -3.07 0.00 0.00 36.82 34.56 3dfg h ILE 120 CO -0.05 0.41 0.08 0.03 -0.69 0.00 0.00 178.15 177.93 3dfg h ARG 121 N 0.85 1.01 -0.13 2.37 3.08 -0.59 0.14 114.38 121.11 3dfg h ARG 121 Ca 0.15 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 3dfg h ARG 121 Cb 0.57 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3dfg h ARG 121 CO 0.03 0.96 -0.08 0.00 -1.07 0.00 0.00 179.97 179.82 3dfg h ARG 122 N 0.91 0.20 0.00 0.04 3.08 -0.77 0.13 114.38 117.98 3dfg h ARG 122 Ca 0.18 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 60.04 3dfg h ARG 122 Cb 0.45 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3dfg h ARG 122 CO 0.02 0.29 -0.93 -0.09 -1.07 0.00 0.00 179.97 178.19 3dfg h ARG 123 N 0.19 0.00 0.00 0.04 2.43 -1.12 -3.42 114.38 112.50 3dfg h ARG 123 Ca 0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3dfg h ARG 123 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3dfg h ARG 123 CO 0.01 0.84 -1.44 1.19 -1.51 0.00 0.00 179.97 179.07 3dfg n PHE 124 N -4.49 0.03 0.00 2.20 3.72 0.47 -5.11 117.46 114.28 3dfg n PHE 124 Ca -0.25 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 3dfg n PHE 124 Cb 0.58 -0.27 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 3dfg n PHE 124 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dfg n GLY 125 N 1.38 0.42 0.34 1.37 0.00 0.47 -4.35 105.19 104.82 3dfg n GLY 125 Ca 0.00 -2.07 0.09 0.00 0.00 0.00 0.00 46.02 44.05 3dfg n GLY 125 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3dfg h GLU 126 N 0.00 0.48 0.00 1.61 4.39 -1.92 -0.87 114.58 118.27 3dfg h GLU 126 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3dfg h GLU 126 Cb 0.00 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3dfg h GLU 126 CO 0.00 0.32 0.00 -0.25 -1.16 0.00 0.00 179.01 177.92 3dfg n ASP 127 N -4.47 0.17 -0.38 1.42 8.00 -1.26 -5.01 116.55 115.01 3dfg n ASP 127 Ca 0.09 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.11 3dfg n ASP 127 Cb 0.28 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 3dfg n ASP 127 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dfg n GLY 128 N 0.87 -1.10 3.74 0.44 0.00 -0.33 -4.72 105.19 104.09 3dfg n GLY 128 Ca 0.05 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 3dfg n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dfg s PRO 129 N 0.00 4.27 0.00 1.61 0.04 -1.26 -4.76 135.00 134.90 3dfg s PRO 129 Ca 0.00 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.32 3dfg s PRO 129 Cb 0.00 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.41 3dfg s PRO 129 CO 0.00 -0.44 0.00 0.28 0.04 0.00 0.00 177.00 176.88 3dfg n VAL 130 N 2.77 0.00 -1.60 -0.36 0.31 -1.26 -4.78 118.33 113.40 3dfg n VAL 130 Ca 0.08 0.16 -0.29 0.00 -0.01 0.00 0.00 64.34 64.28 3dfg n VAL 130 Cb 0.40 -0.96 0.17 0.00 -0.91 0.00 0.00 33.84 32.54 3dfg n VAL 130 CO 0.00 0.00 0.00 1.51 -1.32 0.00 0.00 176.83 177.02 3dfg s ASP 131 N -1.88 2.94 0.21 4.52 3.84 -1.26 -4.79 116.67 120.25 3dfg s ASP 131 Ca 0.00 0.65 -0.09 0.00 -0.00 0.00 0.00 52.55 53.11 3dfg s ASP 131 Cb 0.00 -0.98 0.24 0.00 -1.38 0.00 0.00 42.92 40.80 3dfg s ASP 131 CO 0.00 -2.87 1.81 0.25 -0.00 0.00 0.00 175.17 174.36 3dfg h LEU 132 N -1.73 0.58 -0.35 2.11 5.85 -1.99 -1.32 115.31 118.47 3dfg h LEU 132 Ca -0.47 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.32 3dfg h LEU 132 Cb 1.29 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.19 3dfg h LEU 132 CO 0.49 0.38 0.10 0.00 -0.34 0.00 0.00 178.44 179.06 3dfg h ALA 133 N 1.34 0.39 -0.43 1.25 0.00 -1.99 -0.23 119.26 119.58 3dfg h ALA 133 Ca 0.30 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 3dfg h ALA 133 Cb 0.17 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3dfg h ALA 133 CO -0.17 -0.30 -0.19 1.96 0.00 0.00 0.00 179.25 180.55 3dfg h GLN 134 N 0.23 0.84 -0.49 0.00 4.20 -1.84 -1.66 115.11 116.38 3dfg h GLN 134 Ca 0.16 -0.33 -0.10 0.00 0.06 0.00 0.00 58.65 58.45 3dfg h GLN 134 Cb 0.16 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 3dfg h GLN 134 CO -0.19 0.96 -0.08 0.00 -0.67 0.00 0.00 178.83 178.85 3dfg h ARG 135 N 0.74 0.88 -0.47 1.46 3.08 -0.85 0.74 114.38 119.98 3dfg h ARG 135 Ca 0.11 -0.29 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 3dfg h ARG 135 Cb 0.71 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3dfg h ARG 135 CO 0.05 0.93 -0.16 0.00 -1.07 0.00 0.00 179.97 179.72 3dfg h ARG 136 N 0.80 0.90 -0.45 0.04 3.08 -0.92 -1.11 114.38 116.72 3dfg h ARG 136 Ca 0.14 -0.34 -0.06 0.00 0.07 0.00 0.00 59.98 59.78 3dfg h ARG 136 Cb 0.59 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3dfg h ARG 136 CO 0.04 0.99 0.04 -0.22 -1.07 0.00 0.00 179.97 179.75 3dfg h LYS 137 N 0.79 0.76 -0.62 0.04 1.63 -0.97 -1.20 116.57 117.01 3dfg h LYS 137 Ca 0.12 -0.22 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 3dfg h LYS 137 Cb 0.70 -0.08 -0.03 0.00 -0.60 0.00 0.00 32.23 32.22 3dfg h LYS 137 CO 0.05 0.80 0.36 0.00 -3.45 0.00 0.00 179.45 177.22 3dfg h ALA 138 N 0.93 0.79 -0.53 5.00 0.00 -0.65 0.51 119.26 125.31 3dfg h ALA 138 Ca 0.13 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3dfg h ALA 138 Cb 0.43 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3dfg h ALA 138 CO 0.01 0.28 0.14 0.00 0.00 0.00 0.00 179.25 179.69 3dfg h ALA 139 N 1.18 0.70 -0.53 0.00 0.00 -1.01 -1.59 119.26 118.02 3dfg h ALA 139 Ca 0.22 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3dfg h ALA 139 Cb -0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3dfg h ALA 139 CO -0.04 0.39 0.17 0.22 0.00 0.00 0.00 179.25 179.99 3dfg h ASP 140 N 0.75 0.77 -0.17 0.00 1.82 -0.92 -0.96 116.42 117.71 3dfg h ASP 140 Ca 0.17 -0.20 -0.00 0.00 -0.39 0.00 0.00 57.03 56.60 3dfg h ASP 140 Cb 0.32 -0.20 -0.01 0.00 0.68 0.00 0.00 39.33 40.12 3dfg h ASP 140 CO -0.00 0.76 0.09 0.25 -1.61 0.00 0.00 179.24 178.74 3dfg h LEU 141 N 0.73 0.21 -1.13 2.28 5.85 -0.71 -0.46 115.31 122.08 3dfg h LEU 141 Ca 0.17 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 3dfg h LEU 141 Cb 0.27 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3dfg h LEU 141 CO -0.01 0.23 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.96 3dfg h LEU 142 N 0.17 0.25 -0.18 2.25 3.38 -1.19 -0.60 115.31 119.39 3dfg h LEU 142 Ca 0.06 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 3dfg h LEU 142 Cb 0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3dfg h LEU 142 CO -0.01 0.54 -0.13 0.00 0.09 0.00 0.00 178.44 178.93 3dfg h ALA 143 N 1.49 0.26 -0.41 1.53 0.00 -0.94 -1.25 119.26 119.93 3dfg h ALA 143 Ca 0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3dfg h ALA 143 Cb 0.63 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3dfg h ALA 143 CO 0.05 0.13 0.12 0.00 0.00 0.00 0.00 179.25 179.55 3dfg h ARG 144 N 0.09 0.60 0.00 0.00 3.08 -0.83 -1.61 114.38 115.70 3dfg h ARG 144 Ca 0.04 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3dfg h ARG 144 Cb 0.64 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3dfg h ARG 144 CO 0.03 0.53 0.00 0.54 -1.07 0.00 0.00 179.97 180.00 3dfg n ARG 145 N -4.34 0.50 -1.84 0.04 5.12 -0.25 -4.92 116.66 110.96 3dfg n ARG 145 Ca 0.03 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 3dfg n ARG 145 Cb 0.18 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.98 3dfg n ARG 145 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3dfg n GLY 146 N 0.97 0.72 3.91 -0.13 0.00 -0.61 0.26 105.19 110.31 3dfg n GLY 146 Ca 0.15 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 3dfg n GLY 146 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dfg s PHE 147 N -2.27 3.49 0.77 1.61 0.40 -0.52 -1.21 117.98 120.25 3dfg s PHE 147 Ca 0.00 0.66 -0.11 0.00 -0.60 0.00 0.00 56.93 56.88 3dfg s PHE 147 Cb 0.00 -2.13 0.05 0.00 0.51 0.00 0.00 43.02 41.45 3dfg s PHE 147 CO 0.00 0.08 1.09 0.16 0.70 0.00 0.00 175.22 177.25 3dfg s ASP 148 N -3.40 4.75 0.21 1.36 -4.77 -1.26 -4.73 116.67 108.83 3dfg s ASP 148 Ca 0.45 1.32 -0.09 0.00 -3.30 0.00 0.00 52.55 50.93 3dfg s ASP 148 Cb -0.10 -2.09 0.26 0.00 -1.09 0.00 0.00 42.92 39.90 3dfg s ASP 148 CO 0.33 -1.81 1.81 1.23 0.70 0.00 0.00 175.17 177.43 3dfg h GLY 149 N -0.97 1.02 0.97 2.12 0.00 -1.99 -1.54 103.07 102.68 3dfg h GLY 149 Ca -0.46 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 46.60 3dfg h GLY 149 CO 0.60 0.16 0.18 -0.57 0.00 0.00 0.00 176.54 176.91 3dfg h ASN 150 N 0.71 0.37 -0.76 0.19 -1.24 -1.99 -0.14 115.58 112.72 3dfg h ASN 150 Ca 0.31 -0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.26 3dfg h ASN 150 Cb 0.20 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.12 3dfg h ASN 150 CO -0.19 0.32 0.47 0.28 -1.29 0.00 0.00 177.43 177.02 3dfg h SER 151 N 0.39 0.90 -0.47 1.15 0.02 -1.86 -1.50 113.55 112.19 3dfg h SER 151 Ca 0.11 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.89 3dfg h SER 151 Cb 0.02 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3dfg h SER 151 CO -0.02 0.68 -0.16 0.40 -1.14 0.00 0.00 176.83 176.59 3dfg h ILE 152 N 1.03 1.27 -0.70 3.27 2.04 -0.99 -1.02 117.51 122.41 3dfg h ILE 152 Ca 0.27 -1.31 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 3dfg h ILE 152 Cb -0.06 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 3dfg h ILE 152 CO -0.05 0.45 0.24 0.03 0.00 0.00 0.00 178.15 178.82 3dfg h ARG 153 N 0.78 1.07 -0.30 2.37 3.08 -0.78 -1.04 114.38 119.55 3dfg h ARG 153 Ca 0.11 -0.22 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 3dfg h ARG 153 Cb 0.73 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3dfg h ARG 153 CO 0.06 0.91 -0.03 1.25 -1.07 0.00 0.00 179.97 181.08 3dfg h LEU 154 N 1.02 0.56 -1.41 3.04 5.85 -1.15 0.58 115.31 123.80 3dfg h LEU 154 Ca 0.23 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 3dfg h LEU 154 Cb 0.27 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3dfg h LEU 154 CO -0.01 0.76 -0.25 0.00 -0.34 0.00 0.00 178.44 178.60 3dfg h ALA 155 N 0.82 1.18 -0.67 1.25 0.00 -1.01 -2.74 119.26 118.09 3dfg h ALA 155 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3dfg h ALA 155 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3dfg h ALA 155 CO 0.02 0.31 0.00 0.25 0.00 0.00 0.00 179.25 179.83 3dfg n THR 156 N -3.65 0.92 -3.84 0.00 -2.24 -0.41 -4.74 114.28 100.31 3dfg n THR 156 Ca -0.01 -0.96 -0.28 0.00 -2.27 0.00 0.00 64.05 60.53 3dfg n THR 156 Cb 0.37 0.58 0.03 0.00 -2.10 0.00 0.00 70.33 69.21 3dfg n THR 156 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dfg n ARG 157 N 1.59 -5.63 0.00 -0.78 3.00 -0.88 -5.00 116.66 108.97 3dfg n ARG 157 Ca 0.23 0.62 0.11 0.00 -0.01 0.00 0.00 57.85 58.80 3dfg n ARG 157 Cb 0.61 -5.46 0.64 0.00 0.00 0.00 0.00 32.46 28.25 3dfg n ARG 157 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97