#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xou h ILE 3 N 0.00 0.27 -0.50 -0.61 1.08 -2.05 -1.19 117.51 114.50 1xou h ILE 3 Ca 0.00 -0.01 0.03 0.00 -0.39 0.00 0.00 64.86 64.49 1xou h ILE 3 Cb 0.00 0.23 -0.04 0.00 -3.07 0.00 0.00 36.82 33.94 1xou h ILE 3 CO 0.00 0.01 0.27 0.58 -0.69 0.00 0.00 178.15 178.32 1xou h VAL 4 N 0.04 1.00 -0.47 1.67 2.07 -2.05 -0.71 116.25 117.79 1xou h VAL 4 Ca 0.39 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.73 1xou h VAL 4 Cb 0.65 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1xou h VAL 4 CO -0.75 0.10 0.30 0.28 0.02 0.00 0.00 177.57 177.52 1xou h SER 5 N 0.54 0.55 -0.37 0.57 0.02 -1.69 -0.55 113.55 112.62 1xou h SER 5 Ca 0.21 -0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1xou h SER 5 Cb 0.07 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1xou h SER 5 CO -0.12 0.42 0.16 1.56 -1.14 0.00 0.00 176.83 177.71 1xou h GLN 6 N 0.63 0.33 -0.61 3.45 4.20 -0.89 0.70 115.11 122.92 1xou h GLN 6 Ca 0.17 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.84 1xou h GLN 6 Cb -0.04 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 1xou h GLN 6 CO -0.03 0.22 0.31 1.15 -0.67 0.00 0.00 178.83 179.81 1xou h THR 7 N 0.34 1.21 -0.88 -0.54 2.02 -0.81 -0.37 112.91 113.87 1xou h THR 7 Ca 0.16 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 1xou h THR 7 Cb 0.09 0.45 -0.04 0.00 -1.74 0.00 0.00 68.15 66.91 1xou h THR 7 CO -0.13 0.23 0.51 -0.09 0.37 0.00 0.00 175.52 176.42 1xou h ARG 8 N 0.84 1.21 -0.42 6.66 2.43 -0.55 -1.54 114.38 123.01 1xou h ARG 8 Ca 0.21 -0.12 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 1xou h ARG 8 Cb 0.09 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1xou h ARG 8 CO -0.03 0.86 -0.21 -0.91 -1.51 0.00 0.00 179.97 178.17 1xou h ASN 9 N 1.22 0.86 -0.10 -3.80 -0.26 -0.35 -1.84 115.58 111.31 1xou h ASN 9 Ca 0.31 -0.31 -0.09 0.00 -0.56 0.00 0.00 56.30 55.65 1xou h ASN 9 Cb -0.02 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 36.99 1xou h ASN 9 CO -0.06 1.05 -0.21 0.11 -1.06 0.00 0.00 177.43 177.26 1xou h LYS 10 N 0.74 0.52 -0.39 0.81 1.57 -0.73 -1.86 116.57 117.22 1xou h LYS 10 Ca 0.10 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 1xou h LYS 10 Cb 0.75 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 1xou h LYS 10 CO 0.06 0.70 -0.18 0.93 -0.57 0.00 0.00 179.45 180.39 1xou h GLU 11 N 0.46 0.82 0.69 3.15 5.08 -1.10 -0.87 114.58 122.80 1xou h GLU 11 Ca 0.07 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 1xou h GLU 11 Cb 0.62 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1xou h GLU 11 CO 0.04 0.98 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.51 1xou h LEU 12 N 0.62 -1.16 -0.15 1.33 -0.00 -1.11 -0.56 115.31 114.27 1xou h LEU 12 Ca 0.09 0.07 0.05 0.00 -0.00 0.00 0.00 57.88 58.09 1xou h LEU 12 Cb 0.73 0.35 -0.07 0.00 -0.00 0.00 0.00 40.66 41.67 1xou h LEU 12 CO 0.06 -0.68 -0.33 -0.07 -0.00 0.00 0.00 178.44 177.41 1xou h LEU 13 N -1.08 -1.03 -0.47 1.67 4.07 -1.35 0.20 115.31 117.32 1xou h LEU 13 Ca -0.09 0.15 0.09 0.00 0.08 0.00 0.00 57.88 58.12 1xou h LEU 13 Cb 0.88 0.44 -0.08 0.00 1.08 0.00 0.00 40.66 42.98 1xou h LEU 13 CO 0.07 -0.36 -0.04 -0.78 -1.08 0.00 0.00 178.44 176.25 1xou h ASP 14 N -0.39 -0.27 -0.60 -0.43 1.82 -1.06 0.31 116.42 115.80 1xou h ASP 14 Ca 0.10 0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.85 1xou h ASP 14 Cb 0.55 0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 1xou h ASP 14 CO -0.37 -0.09 0.31 0.11 -1.61 0.00 0.00 179.24 177.59 1xou h LYS 15 N 0.08 0.84 -0.50 0.28 1.57 -0.38 0.33 116.57 118.79 1xou h LYS 15 Ca 0.23 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1xou h LYS 15 Cb 0.35 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1xou h LYS 15 CO -0.42 0.66 0.30 -0.22 -0.57 0.00 0.00 179.45 179.19 1xou h LYS 16 N 0.81 0.58 -0.38 3.15 1.63 0.64 -1.41 116.57 121.59 1xou h LYS 16 Ca 0.21 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.94 1xou h LYS 16 Cb 0.07 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.55 1xou h LYS 16 CO -0.03 0.38 0.09 0.82 -3.45 0.00 0.00 179.45 177.26 1xou h ILE 17 N 0.59 1.23 -0.36 2.00 2.04 -0.10 -1.92 117.51 120.99 1xou h ILE 17 Ca 0.20 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.28 1xou h ILE 17 Cb 0.02 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 1xou h ILE 17 CO -0.09 0.27 0.21 0.03 0.00 0.00 0.00 178.15 178.57 1xou h ARG 18 N 0.46 0.49 -0.27 2.37 -0.00 -0.64 -1.12 114.38 115.67 1xou h ARG 18 Ca 0.12 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.98 59.46 1xou h ARG 18 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.17 1xou h ARG 18 CO 0.00 0.35 -0.22 0.77 0.00 0.00 0.00 179.97 180.87 1xou h SER 19 N 0.50 0.66 -0.12 7.04 0.02 -0.96 -1.95 113.55 118.73 1xou h SER 19 Ca 0.13 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 1xou h SER 19 Cb -0.01 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1xou h SER 19 CO -0.02 0.98 0.04 -0.08 -1.14 0.00 0.00 176.83 176.61 1xou h GLU 20 N 0.36 0.25 -0.01 3.45 4.57 -0.69 0.21 114.58 122.71 1xou h GLU 20 Ca 0.05 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1xou h GLU 20 Cb 0.78 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1xou h GLU 20 CO 0.06 0.24 -0.02 0.82 -1.18 0.00 0.00 179.01 178.93 1xou h ILE 21 N 0.25 1.41 -0.76 2.32 1.08 -0.99 -2.19 117.51 118.64 1xou h ILE 21 Ca 0.06 -1.25 -0.04 0.00 -0.39 0.00 0.00 64.86 63.25 1xou h ILE 21 Cb 0.11 2.23 -0.03 0.00 -3.07 0.00 0.00 36.82 36.05 1xou h ILE 21 CO -0.00 0.33 0.31 -0.33 -0.69 0.00 0.00 178.15 177.77 1xou h GLU 22 N -0.47 1.12 -0.33 2.37 4.39 -0.89 0.40 114.58 121.16 1xou h GLU 22 Ca 0.00 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.53 1xou h GLU 22 Cb 0.54 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1xou h GLU 22 CO 0.00 0.90 0.16 0.00 -1.16 0.00 0.00 179.01 178.92 1xou h ALA 23 N 1.24 0.40 -0.18 3.43 0.00 -0.60 0.13 119.26 123.68 1xou h ALA 23 Ca 0.26 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1xou h ALA 23 Cb 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1xou h ALA 23 CO -0.02 -0.21 0.05 0.82 0.00 0.00 0.00 179.25 179.89 1xou h ILE 24 N 0.34 1.19 -0.74 0.00 2.04 -1.01 0.14 117.51 119.47 1xou h ILE 24 Ca 0.14 -0.60 0.08 0.00 1.00 0.00 0.00 64.86 65.48 1xou h ILE 24 Cb 0.05 1.24 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1xou h ILE 24 CO -0.10 0.19 0.49 0.11 0.00 0.00 0.00 178.15 178.84 1xou h LYS 25 N 0.12 0.69 -0.07 2.37 1.57 -0.57 0.60 116.57 121.28 1xou h LYS 25 Ca 0.06 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1xou h LYS 25 Cb 0.24 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1xou h LYS 25 CO -0.00 0.46 -0.08 0.87 -0.57 0.00 0.00 179.45 180.13 1xou h LYS 26 N 0.71 0.17 -0.88 3.15 1.57 -0.19 -2.33 116.57 118.77 1xou h LYS 26 Ca 0.33 -0.09 0.12 0.00 -1.87 0.00 0.00 60.65 59.14 1xou h LYS 26 Cb 0.37 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 1xou h LYS 26 CO -0.12 0.63 0.50 0.82 -0.57 0.00 0.00 179.45 180.71 1xou h ILE 27 N -0.28 0.83 -0.72 1.86 1.08 0.15 0.31 117.51 120.74 1xou h ILE 27 Ca 0.01 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.19 1xou h ILE 27 Cb 0.60 -0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 1xou h ILE 27 CO 0.02 0.14 0.37 0.40 -0.69 0.00 0.00 178.15 178.39 1xou h ILE 28 N 0.77 1.23 -0.35 -0.67 2.04 -0.84 -2.58 117.51 117.11 1xou h ILE 28 Ca 0.45 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.67 1xou h ILE 28 Cb 0.53 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1xou h ILE 28 CO -0.30 0.26 0.13 0.00 0.00 0.00 0.00 178.15 178.25 1xou h ALA 29 N 1.18 0.46 0.00 1.87 0.00 -0.45 -2.16 119.26 120.16 1xou h ALA 29 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1xou h ALA 29 Cb 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xou h ALA 29 CO -0.04 0.07 0.11 0.93 0.00 0.00 0.00 179.25 180.32 1xou h GLU 30 N 0.42 0.00 0.00 0.00 5.08 -0.68 -1.18 114.58 118.22 1xou h GLU 30 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1xou h GLU 30 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1xou h GLU 30 CO -0.01 0.00 0.00 1.19 -1.00 0.00 0.00 179.01 179.19 1xou n PHE 31 N -2.90 0.00 0.10 4.33 3.01 -0.81 -1.39 117.46 119.80 1xou n PHE 31 Ca -0.02 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.39 1xou n PHE 31 Cb 0.17 -0.48 0.03 0.00 -0.01 0.00 0.00 39.48 39.19 1xou n PHE 31 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1xou h ASP 32 N 0.00 0.02 -0.58 4.37 3.58 -1.37 0.10 116.42 122.53 1xou h ASP 32 Ca 0.00 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 1xou h ASP 32 Cb 0.20 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 1xou h ASP 32 CO 0.00 0.82 -0.05 0.58 -2.88 0.00 0.00 179.24 177.71 1xou h VAL 33 N 0.01 1.27 -0.53 2.25 2.07 -1.42 0.13 116.25 120.02 1xou h VAL 33 Ca -0.01 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.24 1xou h VAL 33 Cb 1.43 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 1xou h VAL 33 CO 0.11 0.44 0.08 0.58 0.02 0.00 0.00 177.57 178.79 1xou h VAL 34 N 0.96 1.24 0.77 2.57 2.07 -1.36 -0.03 116.25 122.47 1xou h VAL 34 Ca 0.16 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.74 1xou h VAL 34 Cb 0.62 0.74 0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1xou h VAL 34 CO 0.04 0.33 -0.37 0.50 0.02 0.00 0.00 177.57 178.09 1xou h LYS 35 N 0.80 -1.00 -0.69 1.57 3.64 0.04 -1.53 116.57 119.40 1xou h LYS 35 Ca 0.17 0.07 0.13 0.00 -1.27 0.00 0.00 60.65 59.75 1xou h LYS 35 Cb 0.36 0.23 -0.09 0.00 -0.41 0.00 0.00 32.23 32.32 1xou h LYS 35 CO 0.01 -0.65 0.22 0.93 -2.27 0.00 0.00 179.45 177.69 1xou h GLU 36 N -1.11 0.35 -0.34 1.90 5.08 -0.58 -1.75 114.58 118.12 1xou h GLU 36 Ca -0.11 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1xou h GLU 36 Cb 0.81 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1xou h GLU 36 CO 0.17 0.23 0.20 0.77 -1.00 0.00 0.00 179.01 179.39 1xou h SER 37 N 0.36 0.33 -0.33 1.42 0.02 -0.89 -1.44 113.55 113.03 1xou h SER 37 Ca 0.37 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.30 1xou h SER 37 Cb 0.56 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 1xou h SER 37 CO -0.41 0.24 0.12 1.62 -1.14 0.00 0.00 176.83 177.27 1xou h VAL 38 N 0.41 1.17 -0.10 2.27 3.04 -0.52 -0.23 116.25 122.29 1xou h VAL 38 Ca 0.13 -0.56 -0.17 0.00 -1.01 0.00 0.00 66.70 65.09 1xou h VAL 38 Cb -0.00 0.74 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 1xou h VAL 38 CO -0.06 0.21 -0.65 0.78 -1.01 0.00 0.00 177.57 176.84 1xou h ASN 39 N 0.56 0.46 -0.66 3.17 2.35 -0.94 -2.74 115.58 117.77 1xou h ASN 39 Ca 0.13 -0.28 -0.08 0.00 -0.55 0.00 0.00 56.30 55.53 1xou h ASN 39 Cb 0.17 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1xou h ASN 39 CO -0.01 0.99 0.11 -0.33 -1.65 0.00 0.00 177.43 176.54 1xou h GLU 40 N 0.29 1.10 -0.17 0.81 5.08 -0.37 -1.43 114.58 119.88 1xou h GLU 40 Ca -0.01 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1xou h GLU 40 Cb 1.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1xou h GLU 40 CO 0.11 1.00 0.12 1.25 -1.00 0.00 0.00 179.01 180.49 1xou h LEU 41 N 1.02 0.07 0.69 1.33 6.46 -0.87 -1.53 115.31 122.48 1xou h LEU 41 Ca 0.20 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 1xou h LEU 41 Cb 0.44 -0.02 0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1xou h LEU 41 CO 0.01 0.05 -0.33 0.28 -0.62 0.00 0.00 178.44 177.83 1xou h SER 42 N 0.08 -0.79 -0.79 1.25 0.02 -0.98 -1.20 113.55 111.14 1xou h SER 42 Ca 0.08 0.01 0.19 0.00 -0.84 0.00 0.00 61.79 61.22 1xou h SER 42 Cb 0.20 0.20 -0.14 0.00 0.14 0.00 0.00 62.40 62.81 1xou h SER 42 CO -0.01 -0.42 0.06 -0.33 -1.14 0.00 0.00 176.83 174.99 1xou h GLU 43 N -1.20 0.13 0.00 3.45 4.39 -0.93 0.75 114.58 121.16 1xou h GLU 43 Ca -0.10 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 1xou h GLU 43 Cb 0.73 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1xou h GLU 43 CO 0.16 0.08 -0.26 -0.22 -1.16 0.00 0.00 179.01 177.61 1xou h LYS 44 N 0.13 0.00 0.00 2.33 3.64 -1.25 -2.35 116.57 119.07 1xou h LYS 44 Ca 0.45 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.76 1xou h LYS 44 Cb 0.83 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1xou h LYS 44 CO -0.67 0.26 -0.33 0.00 -2.27 0.00 0.00 179.45 176.44 1xou h ALA 45 N 1.74 1.26 -0.42 5.00 0.00 0.18 0.28 119.26 127.30 1xou h ALA 45 Ca -0.00 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.67 1xou h ALA 45 Cb 0.60 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.24 1xou h ALA 45 CO 0.03 0.42 -0.46 0.87 0.00 0.00 0.00 179.25 180.11 1xou h LYS 46 N 0.00 -0.32 0.02 0.00 1.57 -0.81 -3.22 116.57 113.80 1xou h LYS 46 Ca -0.00 0.02 -0.34 0.00 -1.87 0.00 0.00 60.65 58.46 1xou h LYS 46 Cb 0.67 0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.00 1xou h LYS 46 CO 0.04 -0.22 -2.09 0.25 -0.57 0.00 0.00 179.45 176.86 1xou n THR 47 N -5.41 1.54 -3.69 -0.16 -2.24 -1.19 -4.92 114.28 98.21 1xou n THR 47 Ca -0.01 -0.77 -0.37 0.00 -2.27 0.00 0.00 64.05 60.63 1xou n THR 47 Cb 0.35 -0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 67.51 1xou n THR 47 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xou s ASP 48 N -6.05 5.92 0.16 3.42 3.68 0.08 -4.98 116.67 118.90 1xou s ASP 48 Ca -0.13 0.04 0.26 0.00 2.13 0.00 0.00 52.55 54.85 1xou s ASP 48 Cb 0.07 -2.07 0.92 0.00 -1.45 0.00 0.00 42.92 40.39 1xou s ASP 48 CO 0.79 0.04 1.79 -0.81 0.13 0.00 0.00 175.17 177.10 1xou n PRO 49 N 4.48 0.18 -0.01 4.34 -0.04 -1.26 -2.47 135.00 140.21 1xou n PRO 49 Ca -0.15 0.20 -0.17 0.00 -0.04 0.00 0.00 63.50 63.34 1xou n PRO 49 Cb 0.52 -1.73 -0.07 0.00 -0.04 0.00 0.00 33.50 32.18 1xou n PRO 49 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1xou h GLN 50 N 0.00 0.76 -0.33 0.54 5.75 -1.93 -2.14 115.11 117.76 1xou h GLN 50 Ca 0.00 -0.64 -0.09 0.00 -0.15 0.00 0.00 58.65 57.77 1xou h GLN 50 Cb 0.60 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 1xou h GLN 50 CO 0.00 1.24 -0.14 0.00 -2.65 0.00 0.00 178.83 177.28 1xou h ALA 51 N 0.57 0.47 -0.69 3.38 0.00 -1.83 -2.47 119.26 118.68 1xou h ALA 51 Ca -0.06 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.56 1xou h ALA 51 Cb 1.43 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1xou h ALA 51 CO 0.16 0.36 0.41 0.00 0.00 0.00 0.00 179.25 180.19 1xou h ALA 52 N 0.78 0.91 -0.32 0.00 0.00 -1.43 0.85 119.26 120.04 1xou h ALA 52 Ca 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1xou h ALA 52 Cb 0.67 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1xou h ALA 52 CO 0.04 0.15 -0.14 1.49 0.00 0.00 0.00 179.25 180.80 1xou h GLU 53 N 0.79 0.57 0.26 0.00 4.57 -1.31 -1.58 114.58 117.88 1xou h GLU 53 Ca 0.29 -0.18 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1xou h GLU 53 Cb 0.08 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 1xou h GLU 53 CO -0.14 0.69 -0.12 0.87 -1.18 0.00 0.00 179.01 179.13 1xou h LYS 54 N 0.52 -0.33 -0.30 1.92 1.57 -0.84 -2.27 116.57 116.84 1xou h LYS 54 Ca 0.09 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.96 1xou h LYS 54 Cb 0.54 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.85 1xou h LYS 54 CO 0.03 -0.02 -0.22 1.25 -0.57 0.00 0.00 179.45 179.92 1xou h LEU 55 N -0.65 -0.71 -1.29 2.94 6.46 -0.73 0.16 115.31 121.48 1xou h LEU 55 Ca -0.04 0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1xou h LEU 55 Cb 0.46 0.35 -0.04 0.00 -0.73 0.00 0.00 40.66 40.71 1xou h LEU 55 CO 0.06 -0.25 0.49 0.78 -0.62 0.00 0.00 178.44 178.90 1xou h ASN 56 N -0.19 0.81 -0.58 1.25 2.35 -1.31 0.33 115.58 118.24 1xou h ASN 56 Ca 0.16 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 1xou h ASN 56 Cb 0.44 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.59 1xou h ASN 56 CO -0.41 0.57 0.14 0.11 -1.65 0.00 0.00 177.43 176.19 1xou h LYS 57 N 0.95 0.93 -0.02 0.81 1.79 -0.69 -0.99 116.57 119.35 1xou h LYS 57 Ca 0.29 -0.23 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1xou h LYS 57 Cb -0.02 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.51 1xou h LYS 57 CO -0.07 0.86 0.01 -0.07 -1.08 0.00 0.00 179.45 179.10 1xou h LEU 58 N 0.84 0.02 -0.33 2.94 3.38 0.53 -0.28 115.31 122.41 1xou h LEU 58 Ca 0.18 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1xou h LEU 58 Cb 0.36 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1xou h LEU 58 CO 0.00 0.14 0.02 0.40 0.09 0.00 0.00 178.44 179.10 1xou h ILE 59 N -0.10 0.79 -0.60 1.22 2.04 -0.25 0.61 117.51 121.21 1xou h ILE 59 Ca 0.01 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1xou h ILE 59 Cb 0.13 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1xou h ILE 59 CO -0.00 0.02 0.24 -0.33 0.00 0.00 0.00 178.15 178.08 1xou h GLU 60 N 0.12 0.88 -0.44 2.37 5.08 -1.07 -2.14 114.58 119.39 1xou h GLU 60 Ca 0.16 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1xou h GLU 60 Cb 0.20 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1xou h GLU 60 CO -0.24 0.72 0.28 0.78 -1.00 0.00 0.00 179.01 179.54 1xou h GLY 61 N 0.98 0.63 1.78 -3.84 0.00 0.26 -1.23 103.07 101.65 1xou h GLY 61 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1xou h GLY 61 CO -0.02 0.24 0.00 -1.72 0.00 0.00 0.00 176.54 175.05 1xou n TYR 62 N -4.76 0.00 -0.11 5.60 4.02 0.08 -1.78 117.16 120.21 1xou n TYR 62 Ca 0.01 0.00 -0.22 0.00 -0.01 0.00 0.00 57.90 57.69 1xou n TYR 62 Cb 0.04 -0.39 -0.09 0.00 -0.02 0.00 0.00 39.34 38.88 1xou n TYR 62 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1xou n THR 63 N -1.39 1.23 -1.57 -0.72 -2.24 -0.83 -4.33 114.28 104.44 1xou n THR 63 Ca 0.10 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1xou n THR 63 Cb 0.26 -1.64 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 1xou n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xou n TYR 64 N -3.75 0.00 -1.45 4.78 4.11 -0.56 -4.94 117.16 115.35 1xou n TYR 64 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.47 1xou n TYR 64 Cb 0.84 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 40.17 1xou n TYR 64 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1xou n GLY 65 N 0.00 2.43 0.09 -7.48 0.00 -0.66 -4.96 105.19 94.62 1xou n GLY 65 Ca 0.00 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 1xou n GLY 65 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xou h GLU 66 N 0.00 0.17 -0.43 1.61 3.07 -1.87 -2.72 114.58 114.42 1xou h GLU 66 Ca 0.00 -0.05 0.07 0.00 -0.50 0.00 0.00 59.36 58.89 1xou h GLU 66 Cb 0.00 -0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 27.83 1xou h GLU 66 CO 0.00 0.39 0.04 0.93 -1.40 0.00 0.00 179.01 178.97 1xou h GLU 67 N -0.07 0.15 -0.92 2.33 3.07 -1.92 0.73 114.58 117.95 1xou h GLU 67 Ca 0.03 -0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.92 1xou h GLU 67 Cb 0.31 -0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.13 1xou h GLU 67 CO 0.00 0.10 0.60 -0.09 -1.40 0.00 0.00 179.01 178.22 1xou h ARG 68 N 0.15 1.10 -0.29 2.33 9.65 -1.39 0.11 114.38 126.05 1xou h ARG 68 Ca 0.21 -0.07 -0.18 0.00 -1.10 0.00 0.00 59.98 58.84 1xou h ARG 68 Cb 0.29 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 1xou h ARG 68 CO -0.32 0.73 -0.53 0.87 2.80 0.00 0.00 179.97 183.53 1xou h LYS 69 N 1.14 0.86 -0.12 0.20 1.57 -0.93 0.89 116.57 120.17 1xou h LYS 69 Ca 0.37 -0.55 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1xou h LYS 69 Cb 0.04 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1xou h LYS 69 CO -0.12 1.18 0.07 -0.07 -0.57 0.00 0.00 179.45 179.95 1xou h LEU 70 N 0.65 0.14 -0.15 2.94 4.07 -0.45 -0.10 115.31 122.41 1xou h LEU 70 Ca 0.02 -0.03 0.04 0.00 0.08 0.00 0.00 57.88 57.99 1xou h LEU 70 Cb 1.14 -0.03 -0.04 0.00 1.08 0.00 0.00 40.66 42.80 1xou h LEU 70 CO 0.12 0.13 -0.12 0.22 -1.08 0.00 0.00 178.44 177.71 1xou h TYR 71 N 0.14 -0.28 -0.47 1.13 3.20 -0.61 -1.38 116.97 118.70 1xou h TYR 71 Ca 0.04 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1xou h TYR 71 Cb 0.01 0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.41 1xou h TYR 71 CO -0.06 -0.17 0.24 -0.44 -1.64 0.00 0.00 178.16 176.08 1xou h ASP 72 N -0.13 0.58 0.59 -2.11 3.32 -0.61 -1.29 116.42 116.77 1xou h ASP 72 Ca 0.09 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 1xou h ASP 72 Cb 0.26 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 39.67 1xou h ASP 72 CO -0.22 0.49 -0.28 -1.28 -1.72 0.00 0.00 179.24 176.22 1xou h SER 73 N 0.65 -0.67 -0.43 6.45 0.87 -0.17 -0.90 113.55 119.36 1xou h SER 73 Ca 0.17 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.77 1xou h SER 73 Cb 0.05 0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 1xou h SER 73 CO -0.02 -0.45 0.22 0.00 -0.53 0.00 0.00 176.83 176.05 1xou h ALA 74 N -0.43 0.54 -0.92 6.23 0.00 -1.06 -2.25 119.26 121.37 1xou h ALA 74 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xou h ALA 74 Cb 0.62 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1xou h ALA 74 CO 0.13 -0.13 0.58 1.25 0.00 0.00 0.00 179.25 181.09 1xou h LEU 75 N 0.45 1.08 -0.86 0.00 7.12 -1.16 -2.19 115.31 119.75 1xou h LEU 75 Ca 0.18 -0.05 -0.09 0.00 0.13 0.00 0.00 57.88 58.05 1xou h LEU 75 Cb 0.08 -0.27 -0.01 0.00 -0.53 0.00 0.00 40.66 39.92 1xou h LEU 75 CO -0.12 0.81 -0.44 0.77 -0.13 0.00 0.00 178.44 179.33 1xou h SER 76 N 1.26 0.00 -0.29 1.25 4.64 -0.90 -1.07 113.55 118.44 1xou h SER 76 Ca 0.33 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.49 1xou h SER 76 Cb -0.10 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 1xou h SER 76 CO -0.07 0.44 -0.43 0.11 -0.87 0.00 0.00 176.83 176.02 1xou h LYS 77 N 0.00 0.85 -0.29 4.77 1.57 -0.96 0.35 116.57 122.86 1xou h LYS 77 Ca -0.00 -0.47 -0.15 0.00 -1.87 0.00 0.00 60.65 58.16 1xou h LYS 77 Cb 0.96 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1xou h LYS 77 CO 0.06 1.11 -0.41 0.82 -0.57 0.00 0.00 179.45 180.46 1xou h ILE 78 N 0.69 1.29 -0.04 1.86 1.08 -1.13 -1.64 117.51 119.62 1xou h ILE 78 Ca 0.05 -1.59 -0.10 0.00 -0.39 0.00 0.00 64.86 62.83 1xou h ILE 78 Cb 1.01 1.51 -0.01 0.00 -3.07 0.00 0.00 36.82 36.25 1xou h ILE 78 CO 0.10 0.51 -0.43 -0.33 -0.69 0.00 0.00 178.15 177.31 1xou h GLU 79 N 0.57 0.08 -0.33 2.37 5.08 -1.00 -1.23 114.58 120.14 1xou h GLU 79 Ca 0.05 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 1xou h GLU 79 Cb 0.95 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1xou h GLU 79 CO 0.09 0.50 -0.24 -0.22 -1.00 0.00 0.00 179.01 178.14 1xou h LYS 80 N 0.07 0.64 -0.06 2.33 3.64 -0.53 -0.21 116.57 122.45 1xou h LYS 80 Ca 0.00 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.12 1xou h LYS 80 Cb 0.79 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1xou h LYS 80 CO 0.06 0.82 -0.01 -0.07 -2.27 0.00 0.00 179.45 177.98 1xou h LEU 81 N 0.56 0.12 -1.07 5.20 4.07 -0.72 -1.99 115.31 121.48 1xou h LEU 81 Ca 0.08 -0.34 0.03 0.00 0.08 0.00 0.00 57.88 57.73 1xou h LEU 81 Cb 0.70 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.36 1xou h LEU 81 CO 0.05 0.43 0.63 0.40 -1.08 0.00 0.00 178.44 178.87 1xou h ILE 82 N -0.20 1.18 -0.10 1.22 2.04 -1.09 -2.55 117.51 118.01 1xou h ILE 82 Ca 0.02 -0.42 0.04 0.00 1.00 0.00 0.00 64.86 65.50 1xou h ILE 82 Cb 0.37 -0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.25 1xou h ILE 82 CO 0.00 0.22 -0.26 -0.08 0.00 0.00 0.00 178.15 178.04 1xou h GLU 83 N 1.23 -0.33 -1.47 2.37 4.81 -0.76 -1.14 114.58 119.30 1xou h GLU 83 Ca 0.38 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1xou h GLU 83 Cb -0.02 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1xou h GLU 83 CO -0.11 -0.22 0.00 0.25 -0.73 0.00 0.00 179.01 178.20 1xou n THR 84 N -5.38 0.55 -1.75 0.32 -2.24 -0.77 -5.09 114.28 99.91 1xou n THR 84 Ca -0.03 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1xou n THR 84 Cb 0.29 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 1xou n THR 84 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68