#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7o h GLU 2 N 0.00 0.77 -0.17 1.43 4.81 -2.07 -1.69 114.58 117.66 2k7o h GLU 2 Ca 0.00 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 2k7o h GLU 2 Cb 0.00 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 2k7o h GLU 2 CO 0.00 0.51 -0.30 -0.07 -0.73 0.00 0.00 179.01 178.42 2k7o h LEU 3 N 0.79 0.34 -0.58 1.64 -0.00 -2.06 -2.91 115.31 112.53 2k7o h LEU 3 Ca 0.21 -0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2k7o h LEU 3 Cb -0.09 -0.09 -0.03 0.00 -0.00 0.00 0.00 40.66 40.45 2k7o h LEU 3 CO -0.05 0.63 0.38 -0.08 -0.00 0.00 0.00 178.44 179.32 2k7o h GLU 4 N 0.30 0.76 -0.85 1.13 4.81 -1.76 -2.34 114.58 116.63 2k7o h GLU 4 Ca 0.04 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k7o h GLU 4 Cb 0.68 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.85 2k7o h GLU 4 CO 0.05 0.51 0.51 0.87 -0.73 0.00 0.00 179.01 180.22 2k7o h LYS 5 N 0.78 1.15 -0.07 1.92 1.57 -1.42 -0.38 116.57 120.13 2k7o h LYS 5 Ca 0.21 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2k7o h LYS 5 Cb -0.08 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 31.98 2k7o h LYS 5 CO -0.04 0.81 0.05 0.00 -0.57 0.00 0.00 179.45 179.69 2k7o h ALA 6 N 1.39 0.09 -0.26 3.86 0.00 -1.32 0.18 119.26 123.21 2k7o h ALA 6 Ca 0.31 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 2k7o h ALA 6 Cb -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2k7o h ALA 6 CO -0.06 -0.41 -0.09 0.52 0.00 0.00 0.00 179.25 179.21 2k7o h MET 7 N 0.10 0.51 -0.94 0.00 2.86 -1.23 -2.99 114.93 113.24 2k7o h MET 7 Ca 0.03 -0.21 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 2k7o h MET 7 Cb -0.01 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.58 2k7o h MET 7 CO -0.01 0.75 0.62 0.28 1.06 0.00 0.00 176.91 179.61 2k7o h VAL 8 N 0.25 1.24 -0.69 -2.22 2.07 -0.87 -2.54 116.25 113.49 2k7o h VAL 8 Ca 0.06 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.13 2k7o h VAL 8 Cb 0.57 -0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 2k7o h VAL 8 CO 0.03 0.24 0.45 0.00 0.02 0.00 0.00 177.57 178.31 2k7o h ALA 9 N 1.34 0.87 -0.41 1.67 0.00 -0.57 -1.94 119.26 120.22 2k7o h ALA 9 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2k7o h ALA 9 Cb -0.14 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 2k7o h ALA 9 CO -0.07 0.30 0.26 -0.07 0.00 0.00 0.00 179.25 179.67 2k7o h LEU 10 N 0.93 0.47 0.11 0.00 3.38 -1.32 0.16 115.31 119.04 2k7o h LEU 10 Ca 0.25 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 2k7o h LEU 10 Cb -0.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2k7o h LEU 10 CO -0.05 0.36 -0.05 0.40 0.09 0.00 0.00 178.44 179.18 2k7o h ILE 11 N 0.55 0.90 -0.86 1.22 2.04 -1.22 0.92 117.51 121.05 2k7o h ILE 11 Ca 0.15 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.99 2k7o h ILE 11 Cb -0.05 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2k7o h ILE 11 CO -0.03 0.01 0.57 0.44 0.00 0.00 0.00 178.15 179.14 2k7o h ASP 12 N -0.15 0.99 -0.32 1.72 3.32 -1.14 0.05 116.42 120.88 2k7o h ASP 12 Ca -0.01 -0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.87 2k7o h ASP 12 Cb 0.12 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 2k7o h ASP 12 CO 0.02 0.72 -0.34 0.58 -1.72 0.00 0.00 179.24 178.50 2k7o h VAL 13 N 1.17 1.29 0.72 -1.35 2.07 -0.26 -2.59 116.25 117.30 2k7o h VAL 13 Ca 0.32 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 2k7o h VAL 13 Cb -0.14 1.52 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2k7o h VAL 13 CO -0.07 0.49 -0.34 0.15 0.02 0.00 0.00 177.57 177.82 2k7o h PHE 14 N 0.57 -0.89 -0.97 1.57 3.04 0.14 -0.87 116.94 119.53 2k7o h PHE 14 Ca 0.05 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.98 2k7o h PHE 14 Cb 0.93 0.29 -0.05 0.00 2.56 0.00 0.00 35.95 39.68 2k7o h PHE 14 CO 0.07 -0.53 0.64 0.45 -2.02 0.00 0.00 178.31 176.92 2k7o h HIS 15 N -1.15 1.24 -0.33 0.41 3.86 -1.10 1.10 115.15 119.19 2k7o h HIS 15 Ca -0.10 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 58.99 2k7o h HIS 15 Cb 0.76 -0.42 -0.00 0.00 1.06 0.00 0.00 27.41 28.81 2k7o h HIS 15 CO -0.00 0.79 -0.38 1.96 0.86 0.00 0.00 177.93 181.16 2k7o h GLN 16 N 1.33 0.83 -0.07 2.45 4.20 -1.49 -0.05 115.11 122.31 2k7o h GLN 16 Ca 0.36 -0.46 -0.21 0.00 0.06 0.00 0.00 58.65 58.39 2k7o h GLN 16 Cb -0.14 0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.68 2k7o h GLN 16 CO -0.08 1.09 -0.79 -0.92 -0.67 0.00 0.00 178.83 177.47 2k7o h TYR 17 N 0.61 0.93 0.00 2.96 5.03 -0.81 -3.10 116.97 122.60 2k7o h TYR 17 Ca 0.05 -0.46 -0.01 0.00 2.58 0.00 0.00 58.73 60.88 2k7o h TYR 17 Cb 0.97 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 39.12 2k7o h TYR 17 CO 0.07 1.28 -0.07 0.77 -1.32 0.00 0.00 178.16 178.89 2k7o h SER 18 N 0.32 0.00 -0.27 -2.11 0.02 0.12 -2.26 113.55 109.38 2k7o h SER 18 Ca -0.08 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.82 2k7o h SER 18 Cb 1.44 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.95 2k7o h SER 18 CO 0.16 0.07 0.07 0.61 -1.14 0.00 0.00 176.83 176.60 2k7o n GLY 19 N 0.00 2.32 0.25 -3.77 0.00 -0.03 -4.08 105.19 99.87 2k7o n GLY 19 Ca 0.00 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 2k7o n GLY 19 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k7o h ARG 20 N 1.23 0.89 -6.20 1.61 2.43 -1.49 -3.45 114.38 109.41 2k7o h ARG 20 Ca 0.07 -0.56 -0.52 0.00 -0.81 0.00 0.00 59.98 58.16 2k7o h ARG 20 Cb 1.25 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.80 2k7o h ARG 20 CO 0.26 1.20 -0.56 -1.21 -1.51 0.00 0.00 179.97 178.14 2k7o s GLU 21 N -4.15 2.73 0.44 0.20 0.41 -1.26 -4.95 118.70 112.12 2k7o s GLU 21 Ca -0.11 -1.17 0.09 0.00 -0.41 0.00 0.00 54.97 53.37 2k7o s GLU 21 Cb 0.10 -2.44 0.47 0.00 -1.78 0.00 0.00 34.13 30.48 2k7o s GLU 21 CO 0.89 0.39 1.14 0.78 -0.49 0.00 0.00 175.26 177.97 2k7o h GLY 22 N 1.61 0.00 -7.04 -1.39 0.00 -1.92 -3.35 103.07 90.98 2k7o h GLY 22 Ca -0.47 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.25 2k7o h GLY 22 CO 0.61 0.00 0.56 0.99 0.00 0.00 0.00 176.54 178.70 2k7o s ASP 23 N -3.16 6.40 -0.23 0.19 1.01 -1.26 -5.02 116.67 114.60 2k7o s ASP 23 Ca -0.01 -0.18 -0.10 0.00 0.71 0.00 0.00 52.55 52.97 2k7o s ASP 23 Cb 0.02 -2.44 -0.05 0.00 1.01 0.00 0.00 42.92 41.47 2k7o s ASP 23 CO 0.08 -1.15 0.15 -0.75 0.21 0.00 0.00 175.17 173.70 2k7o s LYS 24 N 3.86 4.08 -0.14 8.23 2.20 -1.26 -4.36 119.74 132.35 2k7o s LYS 24 Ca 0.33 -0.27 -0.01 0.00 -0.36 0.00 0.00 55.97 55.66 2k7o s LYS 24 Cb -0.12 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 2k7o s LYS 24 CO 0.22 0.10 0.12 1.58 -0.36 0.00 0.00 175.35 177.02 2k7o n HIS 25 N 4.15 -0.30 -3.63 4.03 -0.00 -1.26 -5.05 115.22 113.16 2k7o n HIS 25 Ca -0.15 0.11 -0.01 0.00 0.46 0.00 0.00 57.72 58.13 2k7o n HIS 25 Cb 0.52 -1.58 -0.04 0.00 -0.12 0.00 0.00 29.99 28.77 2k7o n HIS 25 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 2k7o s LYS 26 N -4.98 0.55 -0.37 1.57 2.47 -1.26 -4.81 119.74 112.91 2k7o s LYS 26 Ca 0.05 1.39 -0.15 0.00 -1.56 0.00 0.00 55.97 55.70 2k7o s LYS 26 Cb -0.02 0.83 -0.00 0.00 -1.46 0.00 0.00 37.83 37.17 2k7o s LYS 26 CO 0.08 -0.19 0.36 -0.51 0.16 0.00 0.00 175.35 175.25 2k7o s LEU 27 N 2.84 4.62 0.48 5.43 2.01 -1.20 -4.95 118.68 127.91 2k7o s LEU 27 Ca -0.06 -0.43 -0.05 0.00 0.01 0.00 0.00 54.13 53.60 2k7o s LEU 27 Cb -0.11 -2.31 -0.03 0.00 0.01 0.00 0.00 46.19 43.74 2k7o s LEU 27 CO -0.19 -0.40 0.79 -0.75 1.01 0.00 0.00 176.35 176.81 2k7o s LYS 28 N 1.98 3.49 0.13 1.70 2.20 -1.26 -2.37 119.74 125.62 2k7o s LYS 28 Ca 0.11 0.16 -0.20 0.00 -0.36 0.00 0.00 55.97 55.68 2k7o s LYS 28 Cb -0.17 -2.38 -0.01 0.00 -1.51 0.00 0.00 37.83 33.76 2k7o s LYS 28 CO 0.12 -0.23 1.70 -0.22 -0.36 0.00 0.00 175.35 176.36 2k7o h LYS 29 N 0.21 0.00 -0.94 4.03 3.64 -1.98 2.06 116.57 123.59 2k7o h LYS 29 Ca -0.47 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 2k7o h LYS 29 Cb 1.21 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 2k7o h LYS 29 CO 0.61 0.00 0.56 1.03 -2.27 0.00 0.00 179.45 179.39 2k7o h SER 30 N 0.00 1.14 0.37 4.20 0.87 -1.98 0.78 113.55 118.93 2k7o h SER 30 Ca 0.11 -0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.48 2k7o h SER 30 Cb 0.16 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 2k7o h SER 30 CO -0.23 0.88 -0.48 -0.08 -0.53 0.00 0.00 176.83 176.40 2k7o h GLU 31 N 1.31 0.14 -0.36 2.24 4.81 -1.54 -2.65 114.58 118.53 2k7o h GLU 31 Ca 0.34 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.34 2k7o h GLU 31 Cb -0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 2k7o h GLU 31 CO -0.06 0.59 -0.39 1.25 -0.73 0.00 0.00 179.01 179.67 2k7o h LEU 32 N 0.11 0.97 -0.80 1.64 5.85 0.47 -3.00 115.31 120.54 2k7o h LEU 32 Ca 0.00 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.20 2k7o h LEU 32 Cb 0.89 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 2k7o h LEU 32 CO 0.07 1.25 0.28 0.50 -0.34 0.00 0.00 178.44 180.19 2k7o h LYS 33 N 0.71 1.17 -0.50 1.25 3.64 -0.71 -2.88 116.57 119.26 2k7o h LYS 33 Ca 0.05 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2k7o h LYS 33 Cb 0.99 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 2k7o h LYS 33 CO 0.10 0.97 0.32 1.49 -2.27 0.00 0.00 179.45 180.05 2k7o h GLU 34 N 1.13 0.66 -0.03 1.90 4.81 -1.40 -1.98 114.58 119.67 2k7o h GLU 34 Ca 0.25 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2k7o h GLU 34 Cb 0.26 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 2k7o h GLU 34 CO -0.02 0.46 0.02 1.25 -0.73 0.00 0.00 179.01 179.99 2k7o h LEU 35 N 0.67 0.04 -0.02 1.64 6.46 -1.38 0.96 115.31 123.68 2k7o h LEU 35 Ca 0.18 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 2k7o h LEU 35 Cb -0.05 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 39.87 2k7o h LEU 35 CO -0.04 0.03 0.01 0.40 -0.62 0.00 0.00 178.44 178.23 2k7o h ILE 36 N 0.04 1.02 -0.87 4.05 2.04 -1.39 0.46 117.51 122.86 2k7o h ILE 36 Ca 0.01 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2k7o h ILE 36 Cb -0.00 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 2k7o h ILE 36 CO -0.00 0.02 0.50 -1.13 0.00 0.00 0.00 178.15 177.54 2k7o h ASN 37 N 0.00 1.06 0.00 1.72 -0.73 -1.20 -2.60 115.58 113.83 2k7o h ASN 37 Ca 0.01 -0.08 -0.03 0.00 1.87 0.00 0.00 56.30 58.06 2k7o h ASN 37 Cb 0.02 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.33 2k7o h ASN 37 CO -0.00 0.83 -0.37 -1.13 -0.37 0.00 0.00 177.43 176.40 2k7o h ASN 38 N 1.20 0.00 0.00 1.15 -0.73 -0.59 -3.41 115.58 113.21 2k7o h ASN 38 Ca 0.31 -0.20 0.00 0.00 1.87 0.00 0.00 56.30 58.28 2k7o h ASN 38 Cb -0.01 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.58 2k7o h ASN 38 CO -0.05 0.80 0.00 -0.62 -0.37 0.00 0.00 177.43 177.18 2k7o n GLU 39 N -4.65 0.00 -3.00 6.67 1.02 0.16 -4.58 120.64 116.26 2k7o n GLU 39 Ca -0.08 0.49 -0.44 0.00 -0.02 0.00 0.00 57.16 57.10 2k7o n GLU 39 Cb 0.25 -0.99 -0.01 0.00 -0.02 0.00 0.00 31.44 30.67 2k7o n GLU 39 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k7o s LEU 40 N -3.95 5.32 0.00 -4.62 1.43 -1.06 -4.47 118.68 111.33 2k7o s LEU 40 Ca 0.00 -2.53 0.00 0.00 -1.03 0.00 0.00 54.13 50.57 2k7o s LEU 40 Cb 0.00 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.85 2k7o s LEU 40 CO 0.00 -0.85 0.00 -1.54 0.23 0.00 0.00 176.35 174.19 2k7o n SER 41 N 5.72 0.91 0.13 2.29 3.41 -1.00 -4.27 113.62 120.80 2k7o n SER 41 Ca 0.27 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 59.00 2k7o n SER 41 Cb 0.46 0.17 0.49 0.00 -0.26 0.00 0.00 64.21 65.08 2k7o n SER 41 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2k7o n HIS 42 N -0.33 0.82 0.11 7.33 8.25 -1.26 -2.46 115.22 127.68 2k7o n HIS 42 Ca 0.00 0.32 0.09 0.00 -0.26 0.00 0.00 57.72 57.87 2k7o n HIS 42 Cb 0.01 -1.02 -0.13 0.00 1.12 0.00 0.00 29.99 29.97 2k7o n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2k7o n PHE 43 N -2.25 0.00 -3.80 4.41 3.01 -1.26 -4.99 117.46 112.57 2k7o n PHE 43 Ca 0.02 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.36 2k7o n PHE 43 Cb 0.23 -0.34 -0.09 0.00 -0.01 0.00 0.00 39.48 39.27 2k7o n PHE 43 CO 0.00 0.00 0.00 -0.48 1.01 0.00 0.00 176.76 177.29 2k7o s LEU 44 N -4.00 1.12 0.00 4.37 0.05 -1.03 -5.04 118.68 114.16 2k7o s LEU 44 Ca -0.04 -0.02 0.00 0.00 0.05 0.00 0.00 54.13 54.11 2k7o s LEU 44 Cb 0.11 1.04 0.00 0.00 -2.05 0.00 0.00 46.19 45.29 2k7o s LEU 44 CO 0.71 -0.42 0.83 1.21 -0.55 0.00 0.00 176.35 178.14 2k7o n GLU 45 N 1.35 0.00 0.00 1.48 2.13 -1.26 -4.41 120.64 119.93 2k7o n GLU 45 Ca -0.22 -0.66 0.14 0.00 0.66 0.00 0.00 57.16 57.08 2k7o n GLU 45 Cb 0.56 0.32 0.49 0.00 0.27 0.00 0.00 31.44 33.08 2k7o n GLU 45 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2k7o n GLU 46 N 0.00 1.36 -3.33 5.31 1.02 -1.26 -4.81 120.64 118.94 2k7o n GLU 46 Ca -0.18 -0.77 -0.40 0.00 -0.02 0.00 0.00 57.16 55.79 2k7o n GLU 46 Cb 0.63 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.48 2k7o n GLU 46 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2k7o s ILE 47 N -2.17 5.13 0.00 -3.67 1.01 -1.26 -4.82 121.20 115.41 2k7o s ILE 47 Ca 0.34 0.63 0.00 0.00 0.00 0.00 0.00 60.65 61.62 2k7o s ILE 47 Cb 0.20 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.91 2k7o s ILE 47 CO 0.40 0.09 0.00 1.17 0.00 0.00 0.00 174.94 176.60 2k7o n LYS 48 N 5.43 1.34 -3.97 2.79 4.81 -1.26 -5.07 118.16 122.22 2k7o n LYS 48 Ca -0.07 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.01 2k7o n LYS 48 Cb 0.50 -0.55 -0.07 0.00 0.02 0.00 0.00 35.03 34.93 2k7o n LYS 48 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2k7o s GLU 49 N -0.94 3.39 0.25 1.64 2.56 -1.26 -4.99 118.70 119.34 2k7o s GLU 49 Ca 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 54.97 54.72 2k7o s GLU 49 Cb 0.00 -3.12 0.26 0.00 2.00 0.00 0.00 34.13 33.27 2k7o s GLU 49 CO 0.00 0.74 1.93 1.96 -0.56 0.00 0.00 175.26 179.32 2k7o h GLN 50 N 5.12 1.31 -0.98 4.30 4.20 -2.00 -1.27 115.11 125.78 2k7o h GLN 50 Ca -0.53 -0.08 0.26 0.00 0.06 0.00 0.00 58.65 58.36 2k7o h GLN 50 Cb 1.22 -0.29 -0.06 0.00 0.30 0.00 0.00 27.48 28.65 2k7o h GLN 50 CO 0.58 0.86 0.68 1.49 -0.67 0.00 0.00 178.83 181.77 2k7o h GLU 51 N 1.34 0.17 -0.30 1.46 4.22 -1.99 0.91 114.58 120.40 2k7o h GLU 51 Ca 0.37 -0.01 -0.14 0.00 0.08 0.00 0.00 59.36 59.66 2k7o h GLU 51 Cb -0.15 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2k7o h GLU 51 CO -0.08 0.12 -0.38 0.28 -2.18 0.00 0.00 179.01 176.77 2k7o h VAL 52 N 0.18 1.29 -0.32 0.32 2.07 -1.64 -2.43 116.25 115.72 2k7o h VAL 52 Ca 0.50 -1.54 -0.15 0.00 0.82 0.00 0.00 66.70 66.33 2k7o h VAL 52 Cb 1.64 1.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2k7o h VAL 52 CO -0.11 0.50 -0.39 0.58 0.02 0.00 0.00 177.57 178.17 2k7o h VAL 53 N 0.57 1.28 -0.46 2.57 2.07 0.76 -2.78 116.25 120.27 2k7o h VAL 53 Ca 0.05 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.01 2k7o h VAL 53 Cb 0.90 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 2k7o h VAL 53 CO 0.08 0.51 0.30 -0.78 0.02 0.00 0.00 177.57 177.70 2k7o h ASP 54 N 0.61 0.53 -0.46 0.57 1.82 -0.74 0.74 116.42 119.50 2k7o h ASP 54 Ca 0.04 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 2k7o h ASP 54 Cb 0.98 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.84 2k7o h ASP 54 CO 0.09 0.39 0.25 0.50 -1.61 0.00 0.00 179.24 178.86 2k7o h LYS 55 N 0.62 0.64 -0.41 0.28 3.64 -1.43 0.78 116.57 120.69 2k7o h LYS 55 Ca 0.17 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 59.32 2k7o h LYS 55 Cb -0.06 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 2k7o h LYS 55 CO -0.03 0.51 -0.32 0.28 -2.27 0.00 0.00 179.45 177.62 2k7o h VAL 56 N 0.60 1.27 -0.66 2.00 2.07 -1.18 -2.71 116.25 117.64 2k7o h VAL 56 Ca 0.16 -1.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.16 2k7o h VAL 56 Cb 0.06 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2k7o h VAL 56 CO -0.02 0.50 0.27 -0.03 0.02 0.00 0.00 177.57 178.30 2k7o h MET 57 N 0.76 0.98 -0.38 1.57 1.85 0.82 0.20 114.93 120.75 2k7o h MET 57 Ca 0.08 -0.18 0.00 0.00 -0.61 0.00 0.00 59.70 58.99 2k7o h MET 57 Cb 0.91 -0.16 -0.02 0.00 0.43 0.00 0.00 31.60 32.76 2k7o h MET 57 CO 0.08 0.82 0.24 1.49 -0.40 0.00 0.00 176.91 179.15 2k7o h GLU 58 N 0.93 0.51 -0.50 0.39 4.57 -0.77 0.19 114.58 119.90 2k7o h GLU 58 Ca 0.22 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.24 2k7o h GLU 58 Cb 0.20 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2k7o h GLU 58 CO -0.02 0.35 -0.19 1.15 -1.18 0.00 0.00 179.01 179.12 2k7o h THR 59 N 0.51 1.27 -0.37 0.32 2.02 -1.21 -3.08 112.91 112.37 2k7o h THR 59 Ca 0.14 -1.36 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 2k7o h THR 59 Cb -0.04 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 2k7o h THR 59 CO -0.03 0.47 0.20 0.25 0.37 0.00 0.00 175.52 176.78 2k7o h LEU 60 N 0.88 0.47 -8.67 2.58 5.85 -0.06 -3.39 115.31 112.96 2k7o h LEU 60 Ca 0.12 -0.10 -0.53 0.00 0.84 0.00 0.00 57.88 58.21 2k7o h LEU 60 Cb 0.77 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2k7o h LEU 60 CO 0.06 0.43 1.34 -1.81 -0.34 0.00 0.00 178.44 178.12 2k7o s ASP 61 N -5.68 5.50 0.20 1.25 1.01 0.63 -4.84 116.67 114.73 2k7o s ASP 61 Ca -0.13 0.84 -0.12 0.00 0.71 0.00 0.00 52.55 53.85 2k7o s ASP 61 Cb 0.10 -2.53 0.12 0.00 1.01 0.00 0.00 42.92 41.63 2k7o s ASP 61 CO 0.73 -2.10 1.86 -0.08 0.21 0.00 0.00 175.17 175.79 2k7o h GLU 62 N 14.33 0.89 -0.00 8.23 4.57 -1.83 -2.56 114.58 138.20 2k7o h GLU 62 Ca -0.29 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2k7o h GLU 62 Cb 1.17 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 2k7o h GLU 62 CO 1.13 0.59 -0.59 -0.40 -1.18 0.00 0.00 179.01 178.56 2k7o n ASP 63 N -4.61 0.66 -1.56 1.04 5.75 -1.26 -4.95 116.55 111.62 2k7o n ASP 63 Ca 0.06 -0.46 -0.13 0.00 -0.01 0.00 0.00 54.79 54.24 2k7o n ASP 63 Cb 0.02 0.40 -0.00 0.00 -1.03 0.00 0.00 41.12 40.51 2k7o n ASP 63 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k7o n GLY 64 N 1.49 -0.15 0.00 6.12 0.00 -0.97 -4.86 105.19 106.82 2k7o n GLY 64 Ca 0.06 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.84 2k7o n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k7o n ASP 65 N -0.54 0.00 0.00 1.61 5.75 -1.26 -4.83 116.55 117.28 2k7o n ASP 65 Ca -0.14 -0.19 0.00 0.00 -0.01 0.00 0.00 54.79 54.45 2k7o n ASP 65 Cb 0.61 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2k7o n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k7o n GLY 66 N 0.12 1.82 3.11 6.12 0.00 -1.26 -5.00 105.19 110.09 2k7o n GLY 66 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 2k7o n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k7o s GLU 67 N -0.40 0.67 -0.36 1.61 2.02 -1.26 -4.52 118.70 116.46 2k7o s GLU 67 Ca 0.00 -1.21 -0.10 0.00 0.02 0.00 0.00 54.97 53.68 2k7o s GLU 67 Cb 0.00 0.23 0.02 0.00 0.10 0.00 0.00 34.13 34.48 2k7o s GLU 67 CO 0.00 -0.14 0.19 0.00 0.02 0.00 0.00 175.26 175.32 2k7o n ASP 69 N 4.98 -1.57 0.03 0.00 5.75 -1.26 -3.27 116.55 121.22 2k7o n ASP 69 Ca -0.12 -1.02 -0.12 0.00 -0.01 0.00 0.00 54.79 53.52 2k7o n ASP 69 Cb 0.47 -0.72 -0.07 0.00 -1.03 0.00 0.00 41.12 39.77 2k7o n ASP 69 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2k7o h PHE 70 N -2.28 0.01 0.16 2.11 3.04 -1.98 0.56 116.94 118.55 2k7o h PHE 70 Ca -0.29 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.66 2k7o h PHE 70 Cb 0.89 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.39 2k7o h PHE 70 CO 0.00 0.04 -0.13 1.96 -2.02 0.00 0.00 178.31 178.16 2k7o h GLN 71 N -0.02 -0.29 -0.69 1.11 4.20 -2.00 -1.09 115.11 116.34 2k7o h GLN 71 Ca 0.00 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.74 2k7o h GLN 71 Cb 0.03 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 2k7o h GLN 71 CO -0.00 -0.19 0.45 0.93 -0.67 0.00 0.00 178.83 179.35 2k7o h GLU 72 N -0.30 0.90 -1.00 1.46 5.08 -1.89 -1.01 114.58 117.81 2k7o h GLU 72 Ca -0.01 -0.06 0.21 0.00 -1.00 0.00 0.00 59.36 58.51 2k7o h GLU 72 Cb 0.27 -0.20 -0.11 0.00 0.50 0.00 0.00 28.75 29.20 2k7o h GLU 72 CO -0.01 0.60 0.61 0.35 -1.00 0.00 0.00 179.01 179.56 2k7o h PHE 73 N 0.93 1.03 0.00 4.33 3.57 -0.29 1.26 116.94 127.78 2k7o h PHE 73 Ca 0.25 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 2k7o h PHE 73 Cb -0.11 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 38.32 2k7o h PHE 73 CO -0.03 0.16 -0.34 0.52 -2.23 0.00 0.00 178.31 176.40 2k7o h MET 74 N 0.68 0.00 0.48 1.11 2.86 0.07 -2.73 114.93 117.40 2k7o h MET 74 Ca 0.61 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.22 2k7o h MET 74 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 2k7o h MET 74 CO -0.41 0.34 -0.23 0.00 1.06 0.00 0.00 176.91 177.66 2k7o h ALA 75 N 1.66 -0.65 -1.00 6.32 0.00 0.20 -0.58 119.26 125.22 2k7o h ALA 75 Ca -0.00 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 54.91 2k7o h ALA 75 Cb 0.67 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.60 2k7o h ALA 75 CO 0.04 -0.75 0.61 0.35 0.00 0.00 0.00 179.25 179.50 2k7o h PHE 76 N -0.89 1.06 -0.48 0.00 3.04 -1.29 0.72 116.94 119.10 2k7o h PHE 76 Ca -0.07 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2k7o h PHE 76 Cb 0.59 -0.32 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 2k7o h PHE 76 CO 0.00 0.23 0.31 0.28 -2.02 0.00 0.00 178.31 177.11 2k7o h VAL 77 N 0.75 1.13 -0.44 1.41 2.07 -1.19 -2.29 116.25 117.69 2k7o h VAL 77 Ca 0.58 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.80 2k7o h VAL 77 Cb 0.91 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2k7o h VAL 77 CO -0.39 0.13 0.16 0.77 0.02 0.00 0.00 177.57 178.26 2k7o h SER 78 N 0.65 0.62 -0.89 0.57 4.64 0.18 -2.62 113.55 116.71 2k7o h SER 78 Ca 0.18 -0.18 0.20 0.00 -0.47 0.00 0.00 61.79 61.51 2k7o h SER 78 Cb -0.05 -0.16 -0.11 0.00 -0.31 0.00 0.00 62.40 61.76 2k7o h SER 78 CO -0.04 0.64 0.42 -0.03 -0.87 0.00 0.00 176.83 176.95 2k7o h MET 79 N 0.57 0.47 -0.10 4.77 -1.53 0.24 1.59 114.93 120.94 2k7o h MET 79 Ca 0.15 -0.03 -0.03 0.00 -3.44 0.00 0.00 59.70 56.35 2k7o h MET 79 Cb 0.22 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 31.16 2k7o h MET 79 CO -0.01 0.31 -0.08 0.28 0.14 0.00 0.00 176.91 177.55 2k7o h VAL 80 N 0.48 1.12 0.03 -5.77 2.07 -1.07 1.21 116.25 114.32 2k7o h VAL 80 Ca 0.53 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.48 2k7o h VAL 80 Cb 0.93 1.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2k7o h VAL 80 CO -0.47 0.16 -0.29 0.74 0.02 0.00 0.00 177.57 177.72 2k7o h THR 81 N 0.14 1.63 0.00 2.57 2.02 0.20 -3.20 112.91 116.27 2k7o h THR 81 Ca 0.03 -2.23 0.00 0.00 0.77 0.00 0.00 66.41 64.98 2k7o h THR 81 Cb 0.23 3.10 0.00 0.00 -1.74 0.00 0.00 68.15 69.74 2k7o h THR 81 CO 0.01 0.60 0.00 0.35 0.37 0.00 0.00 175.52 176.86 2k7o n THR 82 N -4.46 0.80 -0.30 3.16 -2.24 0.27 -2.77 114.28 108.75 2k7o n THR 82 Ca -0.11 0.18 -0.05 0.00 -2.27 0.00 0.00 64.05 61.80 2k7o n THR 82 Cb 0.57 -1.11 0.07 0.00 -2.10 0.00 0.00 70.33 67.76 2k7o n THR 82 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k7o h ALA 83 N 2.29 1.04 -0.84 6.98 0.00 0.15 -3.31 119.26 125.57 2k7o h ALA 83 Ca 0.00 -0.16 -0.63 0.00 0.00 0.00 0.00 54.91 54.13 2k7o h ALA 83 Cb 0.40 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 2k7o h ALA 83 CO 0.00 0.61 1.98 0.00 0.00 0.00 0.00 179.25 181.84 2k7o h HIS 85 N 8.11 1.18 -3.90 0.00 3.86 -1.85 -3.43 115.15 119.11 2k7o h HIS 85 Ca 0.39 -0.21 -0.53 0.00 -1.16 0.00 0.00 60.37 58.86 2k7o h HIS 85 Cb 0.89 -0.30 0.08 0.00 1.06 0.00 0.00 27.41 29.14 2k7o h HIS 85 CO 1.39 1.04 0.68 -1.21 0.86 0.00 0.00 177.93 180.69 2k7o s GLU 86 N -4.98 4.27 0.17 2.45 8.01 -1.26 -4.92 118.70 122.43 2k7o s GLU 86 Ca -0.12 2.31 -0.31 0.00 0.01 0.00 0.00 54.97 56.86 2k7o s GLU 86 Cb 0.14 -3.03 -0.10 0.00 -4.31 0.00 0.00 34.13 26.82 2k7o s GLU 86 CO 0.86 -0.30 1.56 -0.06 0.01 0.00 0.00 175.26 177.34 2k7o s PHE 87 N -1.14 3.06 0.25 1.61 0.08 -1.26 -4.88 117.98 115.70 2k7o s PHE 87 Ca 0.50 0.65 -0.06 0.00 0.12 0.00 0.00 56.93 58.15 2k7o s PHE 87 Cb -0.42 -3.92 0.26 0.00 -0.57 0.00 0.00 43.02 38.37 2k7o s PHE 87 CO 0.56 -3.38 1.93 0.35 -0.10 0.00 0.00 175.22 174.58 2k7o h PHE 88 N 6.67 1.27 0.00 0.36 3.57 -1.91 -3.45 116.94 123.45 2k7o h PHE 88 Ca -0.43 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.10 2k7o h PHE 88 Cb 1.21 -0.43 0.00 0.00 2.79 0.00 0.00 35.95 39.52 2k7o h PHE 88 CO 0.65 0.80 0.00 -1.91 -2.23 0.00 0.00 178.31 175.61 2k7o n GLU 89 N -4.38 0.00 -3.88 1.11 2.13 -1.26 -4.68 120.64 109.68 2k7o n GLU 89 Ca 0.12 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.83 2k7o n GLU 89 Cb 0.01 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.63 2k7o n GLU 89 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 2k7o s HIS 90 N 0.00 0.09 -2.00 4.31 3.76 -1.26 -5.32 115.29 114.86 2k7o s HIS 90 Ca 0.00 -0.26 0.29 0.00 -0.15 0.00 0.00 55.06 54.94 2k7o s HIS 90 Cb 0.00 -0.07 1.72 0.00 1.11 0.00 0.00 32.58 35.34 2k7o s HIS 90 CO 0.00 -0.33 2.06 0.39 -0.85 0.00 0.00 174.74 176.00