#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 0.05 -0.27 4.33 4.11 -2.06 -2.69 114.58 118.05 2k7o h GLU 2 Ca 0.00 -0.02 -0.15 0.00 0.07 0.00 0.00 59.36 59.26 2k7o h GLU 2 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k7o h GLU 2 CO 0.00 0.37 -0.44 1.25 0.07 0.00 0.00 179.01 180.26 2k7o h LEU 3 N 0.05 0.73 -0.65 3.06 5.85 -2.06 -3.07 115.31 119.21 2k7o h LEU 3 Ca 0.00 -0.35 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 2k7o h LEU 3 Cb 0.60 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2k7o h LEU 3 CO 0.04 1.07 0.20 -0.08 -0.34 0.00 0.00 178.44 179.33 2k7o h GLU 4 N 0.55 1.01 -1.00 1.25 4.81 -1.93 -2.66 114.58 116.60 2k7o h GLU 4 Ca 0.04 -0.22 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 2k7o h GLU 4 Cb 0.98 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.17 2k7o h GLU 4 CO 0.09 0.89 0.66 -0.22 -0.73 0.00 0.00 179.01 179.70 2k7o h LYS 5 N 0.94 1.32 0.10 1.92 3.64 -1.46 -0.21 116.57 122.82 2k7o h LYS 5 Ca 0.21 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 2k7o h LYS 5 Cb 0.30 -0.30 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2k7o h LYS 5 CO -0.01 0.88 -0.05 0.00 -2.27 0.00 0.00 179.45 178.01 2k7o h ALA 6 N 1.37 -0.13 -0.00 5.00 0.00 -1.39 0.49 119.26 124.59 2k7o h ALA 6 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2k7o h ALA 6 Cb -0.15 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 2k7o h ALA 6 CO -0.08 -0.57 -0.00 1.98 0.00 0.00 0.00 179.25 180.58 2k7o h MET 7 N -0.14 -0.00 -1.01 0.00 1.85 -1.20 -2.08 114.93 112.35 2k7o h MET 7 Ca -0.01 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.09 2k7o h MET 7 Cb 0.11 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.09 2k7o h MET 7 CO 0.02 -0.00 0.66 0.28 -0.40 0.00 0.00 176.91 177.47 2k7o h VAL 8 N -0.00 1.26 -0.94 -5.77 2.07 -0.84 -2.13 116.25 109.89 2k7o h VAL 8 Ca 0.00 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.06 2k7o h VAL 8 Cb 0.01 -0.22 -0.05 0.00 -1.52 0.00 0.00 31.29 29.51 2k7o h VAL 8 CO -0.00 0.25 0.62 0.00 0.02 0.00 0.00 177.57 178.46 2k7o h ALA 9 N 1.37 1.19 -0.58 1.67 0.00 0.44 -2.65 119.26 120.69 2k7o h ALA 9 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2k7o h ALA 9 Cb -0.16 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.23 2k7o h ALA 9 CO -0.08 0.59 0.38 -0.07 0.00 0.00 0.00 179.25 180.07 2k7o h LEU 10 N 1.27 0.67 -0.05 0.00 3.38 -0.71 -0.50 115.31 119.38 2k7o h LEU 10 Ca 0.34 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2k7o h LEU 10 Cb -0.15 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.43 2k7o h LEU 10 CO -0.08 0.50 0.03 0.40 0.09 0.00 0.00 178.44 179.38 2k7o h ILE 11 N 0.79 1.02 -1.00 1.22 2.04 -1.34 0.69 117.51 120.92 2k7o h ILE 11 Ca 0.21 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 66.05 2k7o h ILE 11 Cb -0.08 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2k7o h ILE 11 CO -0.04 0.01 0.66 0.44 0.00 0.00 0.00 178.15 179.22 2k7o h ASP 12 N 0.06 1.15 -0.20 1.72 3.32 -1.27 -1.16 116.42 120.04 2k7o h ASP 12 Ca 0.02 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.95 2k7o h ASP 12 Cb -0.00 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 2k7o h ASP 12 CO -0.00 0.83 -0.21 0.58 -1.72 0.00 0.00 179.24 178.72 2k7o h VAL 13 N 1.36 1.33 0.51 -1.35 2.07 -0.46 -2.80 116.25 116.90 2k7o h VAL 13 Ca 0.37 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.48 2k7o h VAL 13 Cb -0.16 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2k7o h VAL 13 CO -0.08 0.42 -0.24 0.15 0.02 0.00 0.00 177.57 177.84 2k7o h PHE 14 N 0.16 -0.63 -1.01 1.57 3.04 0.80 -1.75 116.94 119.13 2k7o h PHE 14 Ca 0.03 -0.01 0.02 0.00 3.98 0.00 0.00 57.97 61.99 2k7o h PHE 14 Cb 0.76 0.21 -0.05 0.00 2.56 0.00 0.00 35.95 39.42 2k7o h PHE 14 CO 0.08 -0.38 0.66 1.25 -2.02 0.00 0.00 178.31 177.90 2k7o h HIS 15 N -0.70 1.25 -0.45 0.41 2.76 -1.31 0.39 115.15 117.52 2k7o h HIS 15 Ca -0.07 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 57.99 2k7o h HIS 15 Cb 0.53 -0.42 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 2k7o h HIS 15 CO -0.04 0.75 -0.27 0.37 -1.30 0.00 0.00 177.93 177.44 2k7o h GLN 16 N 1.32 0.97 -0.08 5.26 5.75 -1.41 -1.24 115.11 125.68 2k7o h GLN 16 Ca 0.39 -0.45 -0.14 0.00 -0.15 0.00 0.00 58.65 58.30 2k7o h GLN 16 Cb -0.07 -0.01 0.01 0.00 1.07 0.00 0.00 27.48 28.47 2k7o h GLN 16 CO -0.10 1.12 -0.50 1.88 -2.65 0.00 0.00 178.83 178.58 2k7o h TYR 17 N 0.82 0.65 0.00 3.99 -1.99 -0.84 -3.11 116.97 116.48 2k7o h TYR 17 Ca 0.09 -0.30 0.00 0.00 2.00 0.00 0.00 58.73 60.52 2k7o h TYR 17 Cb 0.86 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 39.50 2k7o h TYR 17 CO 0.06 1.08 0.00 1.03 -0.00 0.00 0.00 178.16 180.33 2k7o h SER 18 N 0.03 0.00 -0.24 3.88 0.87 -0.25 -2.31 113.55 115.54 2k7o h SER 18 Ca -0.04 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.47 2k7o h SER 18 Cb 1.16 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.09 2k7o h SER 18 CO 0.10 0.00 0.06 0.61 -0.53 0.00 0.00 176.83 177.07 2k7o n GLY 19 N -0.03 2.25 0.06 5.77 0.00 -0.47 -4.18 105.19 108.59 2k7o n GLY 19 Ca 0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 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 1.15 0.00 -4.31 1.61 9.65 -1.52 -3.49 114.38 117.48 2k7o h ARG 20 Ca 0.06 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.80 2k7o h ARG 20 Cb 1.19 0.00 -0.15 0.00 -1.39 0.00 0.00 29.97 29.62 2k7o h ARG 20 CO 0.23 0.00 -0.68 -1.21 2.80 0.00 0.00 179.97 181.12 2k7o s GLU 21 N -1.95 0.68 0.00 0.20 2.02 -1.26 -5.12 118.70 113.27 2k7o s GLU 21 Ca -0.09 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 53.63 2k7o s GLU 21 Cb 0.01 0.18 0.00 0.00 0.10 0.00 0.00 34.13 34.42 2k7o s GLU 21 CO 0.13 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.70 2k7o n GLY 22 N 0.06 0.27 0.00 -1.39 0.00 -1.26 -4.82 105.19 98.05 2k7o n GLY 22 Ca -0.12 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2k7o n GLY 22 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k7o n ASP 23 N -0.74 0.00 -3.56 1.61 -0.08 -1.26 -4.93 116.55 107.60 2k7o n ASP 23 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 2k7o n ASP 23 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 2k7o n ASP 23 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2k7o s LYS 24 N 0.00 0.44 0.00 -0.67 2.20 -1.26 -4.91 119.74 115.54 2k7o s LYS 24 Ca 0.00 0.96 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 2k7o s LYS 24 Cb 0.00 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.73 2k7o s LYS 24 CO 0.00 -0.13 0.00 1.58 -0.36 0.00 0.00 175.35 176.44 2k7o n HIS 25 N 4.68 0.00 -4.10 4.03 -0.00 -1.26 -5.00 115.22 113.57 2k7o n HIS 25 Ca -0.14 0.00 -0.35 0.00 0.46 0.00 0.00 57.72 57.69 2k7o n HIS 25 Cb 0.54 -0.05 -0.12 0.00 -0.12 0.00 0.00 29.99 30.23 2k7o n HIS 25 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2k7o s LYS 26 N -0.04 3.65 -0.28 1.57 1.02 -1.26 -4.55 119.74 119.84 2k7o s LYS 26 Ca 0.00 -0.51 -0.15 0.00 0.02 0.00 0.00 55.97 55.33 2k7o s LYS 26 Cb 0.00 -3.08 -0.03 0.00 -0.52 0.00 0.00 37.83 34.20 2k7o s LYS 26 CO 0.00 0.05 0.38 -0.51 -0.92 0.00 0.00 175.35 174.35 2k7o s LEU 27 N 0.91 4.10 0.44 3.17 1.43 -1.22 -4.75 118.68 122.76 2k7o s LEU 27 Ca 0.01 0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 2k7o s LEU 27 Cb -0.14 -2.43 -0.00 0.00 0.03 0.00 0.00 46.19 43.64 2k7o s LEU 27 CO 0.02 -0.22 0.65 -0.75 0.23 0.00 0.00 176.35 176.27 2k7o s LYS 28 N 2.09 3.03 0.27 1.70 2.20 -1.26 -2.43 119.74 125.33 2k7o s LYS 28 Ca 0.15 -0.61 -0.03 0.00 -0.36 0.00 0.00 55.97 55.13 2k7o s LYS 28 Cb -0.16 -2.60 0.40 0.00 -1.51 0.00 0.00 37.83 33.96 2k7o s LYS 28 CO 0.10 -0.25 1.89 1.57 -0.36 0.00 0.00 175.35 178.30 2k7o h LYS 29 N 0.45 1.16 -1.00 4.03 2.10 -1.98 0.13 116.57 121.47 2k7o h LYS 29 Ca -0.46 -0.07 0.01 0.00 -2.00 0.00 0.00 60.65 58.13 2k7o h LYS 29 Cb 1.26 -0.26 -0.05 0.00 -0.90 0.00 0.00 32.23 32.28 2k7o h LYS 29 CO 0.56 0.77 0.66 0.66 -2.00 0.00 0.00 179.45 180.09 2k7o h SER 30 N 1.19 1.15 -0.41 7.07 4.64 -1.99 0.14 113.55 125.34 2k7o h SER 30 Ca 0.43 -0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.56 2k7o h SER 30 Cb 0.14 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2k7o h SER 30 CO -0.16 0.83 -0.33 -0.33 -0.87 0.00 0.00 176.83 175.97 2k7o h GLU 31 N 1.35 0.96 -0.57 4.77 5.08 -1.54 -2.21 114.58 122.43 2k7o h GLU 31 Ca 0.36 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2k7o h GLU 31 Cb -0.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 2k7o h GLU 31 CO -0.08 1.14 0.33 1.25 -1.00 0.00 0.00 179.01 180.65 2k7o h LEU 32 N 0.80 0.69 -0.88 1.33 5.85 0.14 -0.78 115.31 122.46 2k7o h LEU 32 Ca 0.08 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k7o h LEU 32 Cb 0.92 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 2k7o h LEU 32 CO 0.09 0.56 0.51 0.50 -0.34 0.00 0.00 178.44 179.76 2k7o h LYS 33 N 0.77 1.21 -0.31 1.25 3.64 -0.59 -2.04 116.57 120.48 2k7o h LYS 33 Ca 0.20 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2k7o h LYS 33 Cb 0.01 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 2k7o h LYS 33 CO -0.04 0.87 -0.02 0.93 -2.27 0.00 0.00 179.45 178.92 2k7o h GLU 34 N 1.22 0.57 -0.10 1.90 5.08 -0.81 -2.16 114.58 120.27 2k7o h GLU 34 Ca 0.31 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2k7o h GLU 34 Cb -0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2k7o h GLU 34 CO -0.05 0.72 0.06 1.25 -1.00 0.00 0.00 179.01 179.99 2k7o h LEU 35 N 0.36 0.11 -0.64 1.33 5.85 -0.88 0.08 115.31 121.52 2k7o h LEU 35 Ca 0.09 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2k7o h LEU 35 Cb 0.48 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2k7o h LEU 35 CO 0.02 0.08 0.41 0.40 -0.34 0.00 0.00 178.44 179.01 2k7o h ILE 36 N 0.13 1.17 -0.62 4.05 2.04 -1.36 0.07 117.51 122.99 2k7o h ILE 36 Ca 0.04 -0.35 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 2k7o h ILE 36 Cb -0.01 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2k7o h ILE 36 CO -0.01 0.17 0.01 0.78 0.00 0.00 0.00 178.15 179.10 2k7o h ASN 37 N 0.86 1.06 1.06 1.72 2.35 -1.07 -3.08 115.58 118.49 2k7o h ASN 37 Ca 0.23 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 2k7o h ASN 37 Cb -0.07 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.02 2k7o h ASN 37 CO -0.05 1.10 -0.29 -3.20 -1.65 0.00 0.00 177.43 173.34 2k7o n ASN 38 N -4.18 0.61 0.00 5.81 2.85 -0.01 -4.83 115.26 115.51 2k7o n ASN 38 Ca 0.03 0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 2k7o n ASN 38 Cb 0.35 -0.27 0.00 0.00 1.24 0.00 0.00 39.78 41.09 2k7o n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2k7o n GLU 39 N -2.00 0.00 -2.47 1.20 1.02 -0.02 -5.07 120.64 113.31 2k7o n GLU 39 Ca 0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 2k7o n GLU 39 Cb 0.41 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.80 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 -0.01 4.36 0.00 -4.62 1.43 -1.19 -4.78 118.68 113.87 2k7o s LEU 40 Ca 0.00 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.04 2k7o s LEU 40 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2k7o s LEU 40 CO 0.00 -0.46 0.00 -0.24 0.23 0.00 0.00 176.35 175.88 2k7o n SER 41 N 4.11 0.00 0.21 2.29 2.88 -1.26 -4.30 113.62 117.55 2k7o n SER 41 Ca 0.09 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.77 2k7o n SER 41 Cb 0.47 0.01 0.40 0.00 -0.75 0.00 0.00 64.21 64.34 2k7o n SER 41 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2k7o h HIS 42 N 0.00 0.00 0.00 0.66 3.86 -1.95 -3.10 115.15 114.62 2k7o h HIS 42 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2k7o h HIS 42 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2k7o h HIS 42 CO 0.00 0.00 -1.15 1.19 0.86 0.00 0.00 177.93 178.83 2k7o n PHE 43 N -2.87 0.01 0.00 2.45 3.01 -1.26 -4.87 117.46 113.93 2k7o n PHE 43 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 2k7o n PHE 43 Cb 0.41 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 39.76 2k7o n PHE 43 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2k7o n LEU 44 N -1.65 0.00 -3.64 4.37 7.99 -1.17 -5.11 117.00 117.79 2k7o n LEU 44 Ca 0.03 0.00 -0.04 0.00 -0.01 0.00 0.00 56.01 55.99 2k7o n LEU 44 Cb 0.38 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.63 2k7o n LEU 44 CO 0.43 0.00 1.09 -0.70 -1.51 0.00 0.00 177.39 176.70 2k7o s GLU 45 N 1.89 0.14 0.11 3.23 2.56 -1.23 -5.04 118.70 120.36 2k7o s GLU 45 Ca 0.00 0.11 -0.31 0.00 0.00 0.00 0.00 54.97 54.77 2k7o s GLU 45 Cb 0.00 0.07 -0.09 0.00 2.00 0.00 0.00 34.13 36.11 2k7o s GLU 45 CO 0.00 -0.03 1.58 -2.00 -0.56 0.00 0.00 175.26 174.25 2k7o s GLU 46 N -0.33 4.22 -0.16 4.30 2.12 -1.26 -4.98 118.70 122.62 2k7o s GLU 46 Ca 0.07 2.30 -0.04 0.00 0.36 0.00 0.00 54.97 57.65 2k7o s GLU 46 Cb -0.04 -3.39 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 2k7o s GLU 46 CO -0.11 -0.65 -0.03 0.42 -0.54 0.00 0.00 175.26 174.36 2k7o s ILE 47 N 1.88 3.99 -0.09 -3.70 1.01 -1.26 -4.98 121.20 118.06 2k7o s ILE 47 Ca 0.71 -0.32 0.13 0.00 0.00 0.00 0.00 60.65 61.16 2k7o s ILE 47 Cb -0.41 -2.75 -0.19 0.00 0.01 0.00 0.00 42.46 39.12 2k7o s ILE 47 CO 0.31 0.49 0.15 0.29 0.00 0.00 0.00 174.94 176.18 2k7o n LYS 48 N 3.52 1.30 -4.55 2.79 4.76 -1.26 -4.96 118.16 119.75 2k7o n LYS 48 Ca -0.17 -0.05 -0.34 0.00 -2.87 0.00 0.00 58.31 54.88 2k7o n LYS 48 Cb 0.52 -1.34 -0.12 0.00 -1.84 0.00 0.00 35.03 32.25 2k7o n LYS 48 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2k7o s GLU 49 N -2.58 3.33 0.22 1.97 2.02 -1.26 -5.00 118.70 117.41 2k7o s GLU 49 Ca -0.06 -0.56 -0.06 0.00 0.02 0.00 0.00 54.97 54.31 2k7o s GLU 49 Cb 0.06 -2.75 0.21 0.00 0.10 0.00 0.00 34.13 31.74 2k7o s GLU 49 CO 0.56 0.36 1.74 0.37 0.02 0.00 0.00 175.26 178.32 2k7o h GLN 50 N 6.26 1.02 -1.31 1.61 4.15 -2.01 -2.63 115.11 122.20 2k7o h GLN 50 Ca -0.35 -0.25 0.39 0.00 0.77 0.00 0.00 58.65 59.21 2k7o h GLN 50 Cb 1.19 -0.13 -0.09 0.00 0.21 0.00 0.00 27.48 28.66 2k7o h GLN 50 CO 0.58 0.93 0.90 0.93 -1.93 0.00 0.00 178.83 180.24 2k7o h GLU 51 N 0.97 0.11 -0.10 1.69 5.08 -2.00 2.16 114.58 122.50 2k7o h GLU 51 Ca 0.20 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.44 2k7o h GLU 51 Cb 0.39 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2k7o h GLU 51 CO 0.01 0.08 -0.46 0.28 -1.00 0.00 0.00 179.01 177.91 2k7o h VAL 52 N 0.12 1.33 -0.28 3.13 2.07 -1.90 -2.84 116.25 117.89 2k7o h VAL 52 Ca 0.70 -1.64 -0.12 0.00 0.82 0.00 0.00 66.70 66.47 2k7o h VAL 52 Cb 2.41 1.77 -0.00 0.00 -1.52 0.00 0.00 31.29 33.94 2k7o h VAL 52 CO -0.19 0.49 -0.30 0.58 0.02 0.00 0.00 177.57 178.17 2k7o h VAL 53 N 0.19 1.30 -0.92 2.57 2.07 0.34 -3.00 116.25 118.80 2k7o h VAL 53 Ca 0.01 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 2k7o h VAL 53 Cb 0.89 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2k7o h VAL 53 CO 0.07 0.47 0.55 0.44 0.02 0.00 0.00 177.57 179.12 2k7o h ASP 54 N 0.42 1.12 -0.46 0.57 3.32 -1.21 -1.64 116.42 118.53 2k7o h ASP 54 Ca 0.04 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2k7o h ASP 54 Cb 0.87 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 2k7o h ASP 54 CO 0.07 0.87 0.30 0.50 -1.72 0.00 0.00 179.24 179.26 2k7o h LYS 55 N 1.28 0.62 -0.96 3.56 3.64 -1.48 -1.55 116.57 121.68 2k7o h LYS 55 Ca 0.33 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 2k7o h LYS 55 Cb -0.04 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.60 2k7o h LYS 55 CO -0.06 0.43 0.59 0.28 -2.27 0.00 0.00 179.45 178.42 2k7o h VAL 56 N 0.62 1.26 -0.53 2.00 2.07 -1.28 -1.60 116.25 118.79 2k7o h VAL 56 Ca 0.17 -0.54 -0.12 0.00 0.82 0.00 0.00 66.70 67.03 2k7o h VAL 56 Cb -0.05 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.60 2k7o h VAL 56 CO -0.03 0.27 -0.14 0.24 0.02 0.00 0.00 177.57 177.92 2k7o h MET 57 N 1.32 1.03 -0.38 1.57 2.86 -0.74 0.60 114.93 121.18 2k7o h MET 57 Ca 0.35 -0.40 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 2k7o h MET 57 Cb -0.08 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 2k7o h MET 57 CO -0.07 1.09 -0.02 0.93 1.06 0.00 0.00 176.91 179.90 2k7o h GLU 58 N 0.90 0.68 -0.37 1.72 5.08 -0.95 0.96 114.58 122.59 2k7o h GLU 58 Ca 0.13 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.10 2k7o h GLU 58 Cb 0.71 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.90 2k7o h GLU 58 CO 0.05 0.79 -0.41 1.15 -1.00 0.00 0.00 179.01 179.60 2k7o h THR 59 N 0.49 1.27 -0.38 1.13 2.02 -1.19 -3.11 112.91 113.14 2k7o h THR 59 Ca 0.10 -1.59 -0.16 0.00 0.77 0.00 0.00 66.41 65.54 2k7o h THR 59 Cb 0.50 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.32 2k7o h THR 59 CO 0.02 0.53 -0.40 0.25 0.37 0.00 0.00 175.52 176.29 2k7o h LEU 60 N 0.76 1.01 -8.73 2.58 5.85 0.40 -3.41 115.31 113.77 2k7o h LEU 60 Ca 0.05 -0.47 -0.54 0.00 0.84 0.00 0.00 57.88 57.76 2k7o h LEU 60 Cb 1.01 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.73 2k7o h LEU 60 CO 0.10 1.27 1.35 -1.81 -0.34 0.00 0.00 178.44 179.01 2k7o s ASP 61 N -6.85 5.52 0.24 1.25 1.01 0.33 -4.83 116.67 113.33 2k7o s ASP 61 Ca -0.11 1.01 -0.07 0.00 0.71 0.00 0.00 52.55 54.10 2k7o s ASP 61 Cb 0.11 -2.52 0.22 0.00 1.01 0.00 0.00 42.92 41.74 2k7o s ASP 61 CO 0.88 -2.06 1.87 -0.33 0.21 0.00 0.00 175.17 175.74 2k7o h GLU 62 N 14.37 1.27 -0.00 8.23 4.39 -1.83 -2.74 114.58 138.28 2k7o h GLU 62 Ca -0.31 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.26 2k7o h GLU 62 Cb 1.18 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 2k7o h GLU 62 CO 1.10 0.91 -0.74 -0.40 -1.16 0.00 0.00 179.01 178.73 2k7o n ASP 63 N -4.34 0.90 -1.38 1.42 5.75 -1.26 -4.96 116.55 112.68 2k7o n ASP 63 Ca 0.10 -0.76 -0.12 0.00 -0.01 0.00 0.00 54.79 53.99 2k7o n ASP 63 Cb 0.08 0.64 -0.01 0.00 -1.03 0.00 0.00 41.12 40.80 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 1.48 -0.06 0.00 6.12 0.00 -1.03 -4.85 105.19 106.85 2k7o n GLY 64 Ca 0.05 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.34 0.00 0.00 1.61 5.75 -1.26 -4.82 116.55 117.48 2k7o n ASP 65 Ca -0.15 -0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.52 2k7o n ASP 65 Cb 0.60 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 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 0.03 2.80 3.34 6.12 0.00 -1.26 -5.00 105.19 111.22 2k7o n GLY 66 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.47 1.35 -0.42 1.61 8.01 -1.26 -4.76 118.70 122.76 2k7o s GLU 67 Ca 0.00 -1.67 -0.15 0.00 0.01 0.00 0.00 54.97 53.16 2k7o s GLU 67 Cb 0.00 -0.71 0.03 0.00 -4.31 0.00 0.00 34.13 29.14 2k7o s GLU 67 CO 0.00 -0.06 0.32 0.00 0.01 0.00 0.00 175.26 175.53 2k7o s ASP 69 N 1.86 1.65 0.06 0.00 -1.08 -1.26 -3.43 116.67 114.47 2k7o s ASP 69 Ca 0.05 0.75 -0.24 0.00 -0.52 0.00 0.00 52.55 52.58 2k7o s ASP 69 Cb -0.20 -1.10 -0.17 0.00 -1.46 0.00 0.00 42.92 39.99 2k7o s ASP 69 CO 0.09 -3.68 1.59 0.15 0.52 0.00 0.00 175.17 173.84 2k7o h PHE 70 N -2.28 -0.02 0.39 -5.34 3.04 -1.98 0.24 116.94 110.99 2k7o h PHE 70 Ca -0.48 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.45 2k7o h PHE 70 Cb 1.30 0.01 0.00 0.00 2.56 0.00 0.00 35.95 39.82 2k7o h PHE 70 CO -1.31 0.13 -0.19 1.96 -2.02 0.00 0.00 178.31 176.88 2k7o h GLN 71 N -0.17 -0.50 -0.59 1.11 4.20 -1.99 -0.53 115.11 116.63 2k7o h GLN 71 Ca -0.00 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.75 2k7o h GLN 71 Cb 0.16 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2k7o h GLN 71 CO 0.00 -0.33 0.39 0.93 -0.67 0.00 0.00 178.83 179.15 2k7o h GLU 72 N -0.53 0.77 -1.00 1.46 5.08 -1.93 -0.46 114.58 117.97 2k7o h GLU 72 Ca -0.05 -0.05 0.23 0.00 -1.00 0.00 0.00 59.36 58.49 2k7o h GLU 72 Cb 0.40 -0.17 -0.12 0.00 0.50 0.00 0.00 28.75 29.36 2k7o h GLU 72 CO 0.09 0.51 0.60 0.35 -1.00 0.00 0.00 179.01 179.56 2k7o h PHE 73 N 0.80 1.03 -0.00 4.33 3.57 -0.10 2.09 116.94 128.65 2k7o h PHE 73 Ca 0.22 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 2k7o h PHE 73 Cb -0.09 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.35 2k7o h PHE 73 CO -0.03 0.11 -0.18 1.98 -2.23 0.00 0.00 178.31 177.95 2k7o h MET 74 N 0.63 0.01 0.11 1.11 4.05 0.56 -1.56 114.93 119.83 2k7o h MET 74 Ca 0.63 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 60.04 2k7o h MET 74 Cb 1.15 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 2k7o h MET 74 CO -0.45 0.19 -0.05 0.00 0.23 0.00 0.00 176.91 176.82 2k7o h ALA 75 N 1.81 -0.15 -1.01 0.39 0.00 0.37 -1.28 119.26 119.40 2k7o h ALA 75 Ca -0.00 -0.15 0.16 0.00 0.00 0.00 0.00 54.91 54.92 2k7o h ALA 75 Cb 0.32 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 2k7o h ALA 75 CO 0.02 -0.45 0.62 0.35 0.00 0.00 0.00 179.25 179.80 2k7o h PHE 76 N -0.43 1.10 -0.74 0.00 3.57 -0.66 1.24 116.94 121.02 2k7o h PHE 76 Ca -0.02 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.52 2k7o h PHE 76 Cb 0.35 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 2k7o h PHE 76 CO 0.02 0.32 0.48 0.28 -2.23 0.00 0.00 178.31 177.18 2k7o h VAL 77 N 0.86 1.19 -0.12 1.41 2.07 -0.90 -1.78 116.25 118.98 2k7o h VAL 77 Ca 0.55 -0.36 -0.06 0.00 0.82 0.00 0.00 66.70 67.64 2k7o h VAL 77 Cb 0.74 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2k7o h VAL 77 CO -0.34 0.19 -0.17 0.77 0.02 0.00 0.00 177.57 178.04 2k7o h SER 78 N 1.00 0.37 -1.00 0.57 4.64 0.17 -2.86 113.55 116.44 2k7o h SER 78 Ca 0.27 -0.52 0.18 0.00 -0.47 0.00 0.00 61.79 61.25 2k7o h SER 78 Cb -0.11 -0.10 -0.10 0.00 -0.31 0.00 0.00 62.40 61.78 2k7o h SER 78 CO -0.06 0.82 0.61 -0.03 -0.87 0.00 0.00 176.83 177.30 2k7o h MET 79 N -0.07 0.78 0.00 4.77 -1.53 0.15 1.55 114.93 120.58 2k7o h MET 79 Ca 0.01 -0.05 -0.06 0.00 -3.44 0.00 0.00 59.70 56.17 2k7o h MET 79 Cb 0.73 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 31.60 2k7o h MET 79 CO 0.04 0.52 -0.29 0.28 0.14 0.00 0.00 176.91 177.60 2k7o h VAL 80 N 0.80 0.97 0.02 -5.77 2.07 -1.28 0.51 116.25 113.57 2k7o h VAL 80 Ca 0.56 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.99 2k7o h VAL 80 Cb 0.82 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2k7o h VAL 80 CO -0.36 0.28 -0.13 0.74 0.02 0.00 0.00 177.57 178.12 2k7o h THR 81 N 0.00 1.75 0.00 2.57 2.02 0.19 -3.24 112.91 116.21 2k7o h THR 81 Ca -0.00 -2.38 0.00 0.00 0.77 0.00 0.00 66.41 64.80 2k7o h THR 81 Cb 0.59 3.37 0.00 0.00 -1.74 0.00 0.00 68.15 70.37 2k7o h THR 81 CO 0.04 0.63 0.00 0.35 0.37 0.00 0.00 175.52 176.90 2k7o n THR 82 N -4.54 0.84 -0.05 3.16 -2.24 0.35 -2.76 114.28 109.04 2k7o n THR 82 Ca -0.11 0.22 -0.14 0.00 -2.27 0.00 0.00 64.05 61.76 2k7o n THR 82 Cb 0.53 -1.14 -0.08 0.00 -2.10 0.00 0.00 70.33 67.55 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 0.21 -2.14 6.98 0.00 0.00 -3.44 119.26 123.16 2k7o h ALA 83 Ca 0.00 -0.39 -0.45 0.00 0.00 0.00 0.00 54.91 54.07 2k7o h ALA 83 Cb 0.36 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 2k7o h ALA 83 CO 0.00 0.19 0.36 0.00 0.00 0.00 0.00 179.25 179.80 2k7o s HIS 85 N -2.30 2.68 0.25 0.00 3.76 -1.26 -4.92 115.29 113.50 2k7o s HIS 85 Ca 0.62 1.54 -0.06 0.00 -0.15 0.00 0.00 55.06 57.01 2k7o s HIS 85 Cb -0.10 -3.28 0.25 0.00 1.11 0.00 0.00 32.58 30.56 2k7o s HIS 85 CO 0.20 -1.55 1.93 1.49 -0.85 0.00 0.00 174.74 175.96 2k7o h GLU 86 N 1.20 1.30 -6.03 1.40 4.81 -1.94 -3.40 114.58 111.92 2k7o h GLU 86 Ca -0.50 -0.08 -0.56 0.00 -0.13 0.00 0.00 59.36 58.09 2k7o h GLU 86 Cb 1.26 -0.29 -0.05 0.00 0.63 0.00 0.00 28.75 30.29 2k7o h GLU 86 CO 0.57 0.86 0.07 -0.06 -0.73 0.00 0.00 179.01 179.72 2k7o s PHE 87 N -6.12 3.59 0.00 0.92 0.08 -1.26 -4.87 117.98 110.32 2k7o s PHE 87 Ca -0.13 1.23 0.00 0.00 0.12 0.00 0.00 56.93 58.15 2k7o s PHE 87 Cb 0.18 -2.77 0.00 0.00 -0.57 0.00 0.00 43.02 39.85 2k7o s PHE 87 CO 0.82 0.12 0.00 0.34 -0.10 0.00 0.00 175.22 176.40 2k7o n PHE 88 N 3.63 0.00 -3.61 0.36 -0.00 -1.26 -5.05 117.46 111.53 2k7o n PHE 88 Ca -0.02 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.05 2k7o n PHE 88 Cb 0.51 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 39.89 2k7o n PHE 88 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2k7o s GLU 89 N 0.00 3.98 0.17 -4.13 2.02 -1.26 -4.97 118.70 114.52 2k7o s GLU 89 Ca 0.00 -0.31 -0.10 0.00 0.02 0.00 0.00 54.97 54.59 2k7o s GLU 89 Cb 0.00 -3.62 0.04 0.00 0.10 0.00 0.00 34.13 30.65 2k7o s GLU 89 CO 0.00 -0.11 1.60 0.45 0.02 0.00 0.00 175.26 177.23 2k7o h HIS 90 N 8.11 1.17 0.00 1.61 3.86 -2.04 -3.55 115.15 124.30 2k7o h HIS 90 Ca -0.36 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 58.62 2k7o h HIS 90 Cb 1.18 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 29.36 2k7o h HIS 90 CO 0.73 1.06 0.00 -1.91 0.86 0.00 0.00 177.93 178.68