#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 0.72 -0.20 4.33 5.08 -2.07 -1.44 114.58 121.01 2k7o h GLU 2 Ca 0.00 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 2k7o h GLU 2 Cb 0.00 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2k7o h GLU 2 CO 0.00 0.48 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.19 2k7o h LEU 3 N 0.74 0.35 -0.65 1.33 3.38 -2.07 -2.89 115.31 115.51 2k7o h LEU 3 Ca 0.20 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 2k7o h LEU 3 Cb -0.08 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2k7o h LEU 3 CO -0.04 0.59 0.26 -0.33 0.09 0.00 0.00 178.44 179.00 2k7o h GLU 4 N 0.32 0.97 -1.00 1.13 5.08 -1.72 -2.62 114.58 116.74 2k7o h GLU 4 Ca 0.05 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2k7o h GLU 4 Cb 0.58 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.63 2k7o h GLU 4 CO 0.04 0.81 0.66 -0.22 -1.00 0.00 0.00 179.01 179.30 2k7o h LYS 5 N 0.91 1.32 -0.25 2.33 3.64 -1.38 -1.86 116.57 121.28 2k7o h LYS 5 Ca 0.22 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2k7o h LYS 5 Cb 0.20 -0.30 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2k7o h LYS 5 CO -0.02 0.87 0.17 0.00 -2.27 0.00 0.00 179.45 178.20 2k7o h ALA 6 N 1.37 0.32 -0.27 5.00 0.00 -1.39 -0.68 119.26 123.61 2k7o h ALA 6 Ca 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2k7o h ALA 6 Cb -0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 2k7o h ALA 6 CO -0.08 -0.21 0.17 0.52 0.00 0.00 0.00 179.25 179.65 2k7o h MET 7 N 0.34 0.34 -1.00 0.00 2.86 -1.24 -2.75 114.93 113.48 2k7o h MET 7 Ca 0.09 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2k7o h MET 7 Cb -0.04 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.49 2k7o h MET 7 CO -0.02 0.23 0.66 0.28 1.06 0.00 0.00 176.91 179.12 2k7o h VAL 8 N 0.35 1.26 -0.48 -2.22 2.07 -0.99 -2.76 116.25 113.49 2k7o h VAL 8 Ca 0.10 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.16 2k7o h VAL 8 Cb -0.04 -0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.49 2k7o h VAL 8 CO -0.03 0.25 0.31 0.00 0.02 0.00 0.00 177.57 178.13 2k7o h ALA 9 N 1.37 0.60 -0.08 1.67 0.00 -0.83 -0.48 119.26 121.51 2k7o h ALA 9 Ca 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2k7o h ALA 9 Cb -0.15 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2k7o h ALA 9 CO -0.08 0.05 0.05 -0.07 0.00 0.00 0.00 179.25 179.20 2k7o h LEU 10 N 0.64 0.09 0.20 0.00 -0.00 -1.36 0.27 115.31 115.15 2k7o h LEU 10 Ca 0.17 -0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.04 2k7o h LEU 10 Cb -0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.57 2k7o h LEU 10 CO -0.04 0.06 -0.10 0.40 -0.00 0.00 0.00 178.44 178.77 2k7o h ILE 11 N 0.10 0.80 -0.72 1.22 2.04 -1.25 0.43 117.51 120.13 2k7o h ILE 11 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.90 2k7o h ILE 11 Cb -0.01 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 2k7o h ILE 11 CO -0.01 0.00 0.48 -0.78 0.00 0.00 0.00 178.15 177.84 2k7o h ASP 12 N -0.27 0.83 -0.41 1.72 1.82 -0.93 -0.85 116.42 118.34 2k7o h ASP 12 Ca -0.03 -0.02 -0.10 0.00 -0.39 0.00 0.00 57.03 56.49 2k7o h ASP 12 Cb 0.21 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 2k7o h ASP 12 CO 0.04 0.60 -0.15 0.58 -1.61 0.00 0.00 179.24 178.71 2k7o h VAL 13 N 0.98 1.28 0.37 2.25 2.07 -0.18 -2.53 116.25 120.48 2k7o h VAL 13 Ca 0.27 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 2k7o h VAL 13 Cb -0.11 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2k7o h VAL 13 CO -0.06 0.42 -0.18 0.15 0.02 0.00 0.00 177.57 177.93 2k7o h PHE 14 N 0.63 -0.46 -0.64 1.57 3.04 0.31 -0.93 116.94 120.45 2k7o h PHE 14 Ca 0.10 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.04 2k7o h PHE 14 Cb 0.69 0.15 -0.03 0.00 2.56 0.00 0.00 35.95 39.32 2k7o h PHE 14 CO 0.05 -0.28 0.42 1.25 -2.02 0.00 0.00 178.31 177.73 2k7o h HIS 15 N -0.51 0.80 -0.39 0.41 2.76 -1.17 0.82 115.15 117.88 2k7o h HIS 15 Ca -0.05 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 57.98 2k7o h HIS 15 Cb 0.39 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 2k7o h HIS 15 CO -0.05 0.50 -0.38 1.96 -1.30 0.00 0.00 177.93 178.67 2k7o h GLN 16 N 0.87 0.95 -0.16 5.26 4.20 -1.40 0.79 115.11 125.60 2k7o h GLN 16 Ca 0.24 -0.50 -0.06 0.00 0.06 0.00 0.00 58.65 58.39 2k7o h GLN 16 Cb -0.10 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2k7o h GLN 16 CO -0.05 1.15 -0.12 -0.92 -0.67 0.00 0.00 178.83 178.22 2k7o h TYR 17 N 0.77 0.43 0.00 2.96 3.20 -0.85 -2.95 116.97 120.53 2k7o h TYR 17 Ca 0.06 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.81 2k7o h TYR 17 Cb 0.98 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.15 2k7o h TYR 17 CO 0.06 0.72 0.00 1.03 -1.64 0.00 0.00 178.16 178.33 2k7o h SER 18 N 0.03 0.00 -0.30 -2.11 0.87 0.70 -3.06 113.55 109.68 2k7o h SER 18 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 2k7o h SER 18 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2k7o h SER 18 CO 0.03 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.94 2k7o n GLY 19 N 0.72 1.11 0.24 5.77 0.00 0.27 -3.97 105.19 109.34 2k7o n GLY 19 Ca 0.03 -0.37 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 2k7o n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k7o h ARG 20 N 1.83 0.83 -6.18 1.61 3.08 -1.50 -3.45 114.38 110.59 2k7o h ARG 20 Ca 0.00 -0.58 -0.52 0.00 0.07 0.00 0.00 59.98 58.94 2k7o h ARG 20 Cb 0.69 0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.77 2k7o h ARG 20 CO 0.08 1.20 -0.55 -1.21 -1.07 0.00 0.00 179.97 178.42 2k7o s GLU 21 N -3.97 2.62 0.00 0.04 8.01 -1.25 -4.96 118.70 119.19 2k7o s GLU 21 Ca -0.10 -1.28 0.00 0.00 0.01 0.00 0.00 54.97 53.60 2k7o s GLU 21 Cb 0.10 -2.37 0.00 0.00 -4.31 0.00 0.00 34.13 27.55 2k7o s GLU 21 CO 0.89 0.30 0.46 0.41 0.01 0.00 0.00 175.26 177.33 2k7o n GLY 22 N -1.12 0.90 2.83 -1.39 0.00 -1.26 -4.42 105.19 100.73 2k7o n GLY 22 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2k7o n GLY 22 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k7o s ASP 23 N 1.72 4.04 -0.26 1.61 -4.77 -1.26 -5.09 116.67 112.65 2k7o s ASP 23 Ca 0.00 -2.58 -0.11 0.00 -3.30 0.00 0.00 52.55 46.57 2k7o s ASP 23 Cb 0.00 -1.28 -0.05 0.00 -1.09 0.00 0.00 42.92 40.50 2k7o s ASP 23 CO 0.00 -0.29 0.17 -0.54 0.70 0.00 0.00 175.17 175.22 2k7o s LYS 24 N 0.36 4.01 0.00 2.11 1.02 -1.26 -4.30 119.74 121.68 2k7o s LYS 24 Ca 0.16 -0.29 0.00 0.00 0.02 0.00 0.00 55.97 55.85 2k7o s LYS 24 Cb -0.24 -3.59 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 2k7o s LYS 24 CO -0.04 -0.05 0.00 1.58 -0.92 0.00 0.00 175.35 175.93 2k7o n HIS 25 N 4.63 0.00 -3.47 3.18 -0.00 -1.26 -5.06 115.22 113.24 2k7o n HIS 25 Ca -0.15 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.04 2k7o n HIS 25 Cb 0.52 -0.57 -0.05 0.00 -0.12 0.00 0.00 29.99 29.77 2k7o n HIS 25 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 2k7o s LYS 26 N -2.63 0.29 -0.03 1.57 -2.85 -1.26 -4.33 119.74 110.49 2k7o s LYS 26 Ca 0.00 0.63 0.02 0.00 -1.00 0.00 0.00 55.97 55.62 2k7o s LYS 26 Cb 0.00 0.28 -0.03 0.00 -2.06 0.00 0.00 37.83 36.02 2k7o s LYS 26 CO 0.00 -0.08 -0.05 -0.51 0.10 0.00 0.00 175.35 174.81 2k7o s LEU 27 N 2.01 3.28 0.43 2.77 1.43 -1.18 -4.90 118.68 122.52 2k7o s LEU 27 Ca -0.05 -0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 2k7o s LEU 27 Cb -0.05 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.36 2k7o s LEU 27 CO -0.16 0.31 0.60 -0.75 0.23 0.00 0.00 176.35 176.59 2k7o s LYS 28 N -1.23 2.89 0.27 1.70 2.20 -1.26 -2.69 119.74 121.62 2k7o s LYS 28 Ca 0.16 -0.94 -0.02 0.00 -0.36 0.00 0.00 55.97 54.80 2k7o s LYS 28 Cb -0.11 -2.68 0.41 0.00 -1.51 0.00 0.00 37.83 33.93 2k7o s LYS 28 CO 0.06 -0.27 1.90 1.57 -0.36 0.00 0.00 175.35 178.25 2k7o h LYS 29 N 0.54 1.15 -0.83 4.03 2.10 -1.99 0.75 116.57 122.32 2k7o h LYS 29 Ca -0.43 -0.07 0.01 0.00 -2.00 0.00 0.00 60.65 58.16 2k7o h LYS 29 Cb 1.27 -0.26 -0.04 0.00 -0.90 0.00 0.00 32.23 32.30 2k7o h LYS 29 CO 0.51 0.76 0.55 0.66 -2.00 0.00 0.00 179.45 179.93 2k7o h SER 30 N 1.19 0.96 0.10 7.07 4.64 -1.99 0.16 113.55 125.68 2k7o h SER 30 Ca 0.40 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.57 2k7o h SER 30 Cb 0.09 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 2k7o h SER 30 CO -0.14 0.69 -0.46 -0.33 -0.87 0.00 0.00 176.83 175.72 2k7o h GLU 31 N 1.13 0.43 -0.33 4.77 5.08 -1.46 -2.00 114.58 122.20 2k7o h GLU 31 Ca 0.31 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 2k7o h GLU 31 Cb -0.13 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2k7o h GLU 31 CO -0.07 0.80 -0.24 1.25 -1.00 0.00 0.00 179.01 179.76 2k7o h LEU 32 N 0.34 0.77 -0.57 1.33 5.85 0.59 -2.73 115.31 120.90 2k7o h LEU 32 Ca 0.02 -0.44 -0.11 0.00 0.84 0.00 0.00 57.88 58.19 2k7o h LEU 32 Cb 0.95 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 2k7o h LEU 32 CO 0.08 1.05 -0.08 0.50 -0.34 0.00 0.00 178.44 179.65 2k7o h LYS 33 N 0.51 1.06 -0.71 1.25 3.64 -0.64 -2.96 116.57 118.71 2k7o h LYS 33 Ca 0.06 -0.38 0.01 0.00 -1.27 0.00 0.00 60.65 59.07 2k7o h LYS 33 Cb 0.80 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 2k7o h LYS 33 CO 0.06 1.08 0.47 1.49 -2.27 0.00 0.00 179.45 180.28 2k7o h GLU 34 N 0.94 0.94 -0.72 1.90 4.81 -1.31 -2.12 114.58 119.02 2k7o h GLU 34 Ca 0.15 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2k7o h GLU 34 Cb 0.65 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2k7o h GLU 34 CO 0.05 0.62 0.46 1.25 -0.73 0.00 0.00 179.01 180.65 2k7o h LEU 35 N 0.96 0.76 -0.64 1.64 5.85 -1.33 -1.35 115.31 121.20 2k7o h LEU 35 Ca 0.26 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.96 2k7o h LEU 35 Cb -0.11 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 2k7o h LEU 35 CO -0.06 0.53 0.33 0.40 -0.34 0.00 0.00 178.44 179.30 2k7o h ILE 36 N 0.90 1.21 -0.47 4.05 2.04 -1.29 2.03 117.51 125.99 2k7o h ILE 36 Ca 0.28 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2k7o h ILE 36 Cb -0.01 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 2k7o h ILE 36 CO -0.10 0.24 0.31 -1.13 0.00 0.00 0.00 178.15 177.47 2k7o h ASN 37 N 0.88 0.54 0.18 1.72 -0.73 -0.73 -3.14 115.58 114.29 2k7o h ASN 37 Ca 0.22 -0.02 -0.25 0.00 1.87 0.00 0.00 56.30 58.13 2k7o h ASN 37 Cb 0.09 -0.13 0.02 0.00 0.27 0.00 0.00 38.32 38.57 2k7o h ASN 37 CO -0.03 0.39 -1.10 -1.13 -0.37 0.00 0.00 177.43 175.19 2k7o h ASN 38 N 0.63 0.58 -1.91 1.15 -1.24 -0.91 -3.44 115.58 110.45 2k7o h ASN 38 Ca 0.17 -0.94 -0.56 0.00 0.71 0.00 0.00 56.30 55.68 2k7o h ASN 38 Cb -0.07 -0.19 -0.09 0.00 0.73 0.00 0.00 38.32 38.70 2k7o h ASN 38 CO -0.04 1.52 -0.58 -0.70 -1.29 0.00 0.00 177.43 176.35 2k7o s GLU 39 N -2.49 2.24 -2.03 6.67 2.56 0.69 -4.62 118.70 121.72 2k7o s GLU 39 Ca -0.13 -1.63 0.00 0.00 0.00 0.00 0.00 54.97 53.21 2k7o s GLU 39 Cb 0.02 -2.06 0.00 0.00 2.00 0.00 0.00 34.13 34.09 2k7o s GLU 39 CO 0.86 0.13 0.00 1.28 -0.56 0.00 0.00 175.26 176.97 2k7o n LEU 40 N -1.06 -1.49 -0.11 2.70 4.32 -1.26 -3.95 117.00 116.15 2k7o n LEU 40 Ca -0.04 0.42 -0.10 0.00 -0.02 0.00 0.00 56.01 56.27 2k7o n LEU 40 Cb 0.62 -2.73 -0.02 0.00 -1.62 0.00 0.00 43.42 39.66 2k7o n LEU 40 CO 0.43 -0.92 0.87 0.28 -1.22 0.00 0.00 177.39 176.83 2k7o h SER 41 N 0.00 0.47 1.47 -1.43 0.02 -1.72 0.93 113.55 113.29 2k7o h SER 41 Ca -0.41 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.24 2k7o h SER 41 Cb 1.29 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.69 2k7o h SER 41 CO 0.58 0.55 -0.54 -0.74 -1.14 0.00 0.00 176.83 175.55 2k7o h HIS 42 N 0.37 0.00 -0.03 3.45 -0.00 -1.94 -3.25 115.15 113.75 2k7o h HIS 42 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 2k7o h HIS 42 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 2k7o h HIS 42 CO 0.01 0.41 0.00 1.19 -0.00 0.00 0.00 177.93 179.54 2k7o n PHE 43 N -3.15 0.00 -3.64 5.26 3.01 -1.10 -4.90 117.46 112.94 2k7o n PHE 43 Ca 0.01 -0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.37 2k7o n PHE 43 Cb 0.71 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 40.11 2k7o n PHE 43 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 2k7o s LEU 44 N -2.00 -0.84 0.31 4.37 2.96 0.32 -5.03 118.68 118.78 2k7o s LEU 44 Ca 0.30 1.47 -0.28 0.00 -0.22 0.00 0.00 54.13 55.39 2k7o s LEU 44 Cb 0.20 2.39 -0.10 0.00 0.50 0.00 0.00 46.19 49.18 2k7o s LEU 44 CO 0.31 -0.24 1.15 -1.61 -1.32 0.00 0.00 176.35 174.63 2k7o s GLU 45 N 1.12 4.48 0.31 1.98 8.01 -1.26 -4.14 118.70 129.20 2k7o s GLU 45 Ca -0.06 1.88 -0.29 0.00 0.01 0.00 0.00 54.97 56.50 2k7o s GLU 45 Cb -0.05 -3.06 -0.11 0.00 -4.31 0.00 0.00 34.13 26.60 2k7o s GLU 45 CO -0.11 0.05 1.49 -1.21 0.01 0.00 0.00 175.26 175.48 2k7o s GLU 46 N -1.68 4.19 -0.25 1.61 2.02 -1.26 -4.98 118.70 118.35 2k7o s GLU 46 Ca 0.48 2.45 -0.07 0.00 0.02 0.00 0.00 54.97 57.85 2k7o s GLU 46 Cb -0.33 -3.04 -0.03 0.00 0.10 0.00 0.00 34.13 30.84 2k7o s GLU 46 CO 0.42 -0.49 0.05 0.42 0.02 0.00 0.00 175.26 175.69 2k7o s ILE 47 N -0.44 4.17 -0.73 -1.63 1.01 -1.26 -4.95 121.20 117.37 2k7o s ILE 47 Ca 0.58 -0.22 0.22 0.00 0.00 0.00 0.00 60.65 61.23 2k7o s ILE 47 Cb -0.45 -2.95 -0.16 0.00 0.01 0.00 0.00 42.46 38.91 2k7o s ILE 47 CO 0.51 0.35 0.97 1.17 0.00 0.00 0.00 174.94 177.94 2k7o n LYS 48 N 4.91 0.19 -3.56 2.79 4.81 -1.26 -4.83 118.16 121.21 2k7o n LYS 48 Ca -0.16 -0.02 -0.39 0.00 -0.87 0.00 0.00 58.31 56.86 2k7o n LYS 48 Cb 0.51 -1.54 -0.11 0.00 0.02 0.00 0.00 35.03 33.92 2k7o n LYS 48 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2k7o s GLU 49 N -3.14 3.84 0.24 1.64 8.01 -1.26 -4.96 118.70 123.07 2k7o s GLU 49 Ca 0.05 -0.37 -0.06 0.00 0.01 0.00 0.00 54.97 54.60 2k7o s GLU 49 Cb 0.15 -3.70 0.23 0.00 -4.31 0.00 0.00 34.13 26.51 2k7o s GLU 49 CO 0.82 -0.26 1.81 1.96 0.01 0.00 0.00 175.26 179.60 2k7o h GLN 50 N 8.39 1.12 -0.83 1.61 4.20 -2.00 -2.34 115.11 125.26 2k7o h GLN 50 Ca -0.34 -0.19 0.16 0.00 0.06 0.00 0.00 58.65 58.33 2k7o h GLN 50 Cb 1.18 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 28.71 2k7o h GLN 50 CO 0.58 0.90 0.54 1.49 -0.67 0.00 0.00 178.83 181.68 2k7o h GLU 51 N 1.09 0.49 -0.23 1.46 4.57 -1.99 0.53 114.58 120.51 2k7o h GLU 51 Ca 0.25 -0.03 -0.15 0.00 -1.18 0.00 0.00 59.36 58.26 2k7o h GLU 51 Cb 0.20 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2k7o h GLU 51 CO -0.02 0.33 -0.46 0.28 -1.18 0.00 0.00 179.01 177.95 2k7o h VAL 52 N 0.51 1.31 -0.37 0.32 2.07 -1.84 -2.79 116.25 115.45 2k7o h VAL 52 Ca 0.41 -1.66 -0.16 0.00 0.82 0.00 0.00 66.70 66.11 2k7o h VAL 52 Cb 0.86 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.25 2k7o h VAL 52 CO -0.16 0.52 -0.40 0.58 0.02 0.00 0.00 177.57 178.13 2k7o h VAL 53 N 0.47 1.27 -0.97 2.57 2.07 -0.07 -3.06 116.25 118.53 2k7o h VAL 53 Ca 0.03 -1.58 0.01 0.00 0.82 0.00 0.00 66.70 65.98 2k7o h VAL 53 Cb 0.99 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 2k7o h VAL 53 CO 0.09 0.53 0.64 -0.78 0.02 0.00 0.00 177.57 178.07 2k7o h ASP 54 N 0.75 1.11 -0.51 0.57 1.82 -0.07 0.44 116.42 120.54 2k7o h ASP 54 Ca 0.06 -0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 2k7o h ASP 54 Cb 1.00 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.71 2k7o h ASP 54 CO 0.10 0.81 0.28 0.11 -1.61 0.00 0.00 179.24 178.92 2k7o h LYS 55 N 1.31 0.72 -0.31 0.28 1.57 -1.43 -0.10 116.57 118.62 2k7o h LYS 55 Ca 0.36 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.91 2k7o h LYS 55 Cb -0.15 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.02 2k7o h LYS 55 CO -0.08 0.57 -0.33 0.28 -0.57 0.00 0.00 179.45 179.32 2k7o h VAL 56 N 0.68 1.29 -0.23 0.50 2.07 -1.31 -2.90 116.25 116.36 2k7o h VAL 56 Ca 0.18 -1.50 0.00 0.00 0.82 0.00 0.00 66.70 66.20 2k7o h VAL 56 Cb 0.06 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2k7o h VAL 56 CO -0.03 0.49 0.15 -0.03 0.02 0.00 0.00 177.57 178.17 2k7o h MET 57 N 0.53 0.31 -0.90 1.57 1.85 0.19 -0.95 114.93 117.52 2k7o h MET 57 Ca 0.05 -0.02 0.01 0.00 -0.61 0.00 0.00 59.70 59.12 2k7o h MET 57 Cb 0.91 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.83 2k7o h MET 57 CO 0.08 0.21 0.59 1.49 -0.40 0.00 0.00 176.91 178.89 2k7o h GLU 58 N 0.31 1.19 -0.85 0.39 4.57 -1.04 0.22 114.58 119.36 2k7o h GLU 58 Ca 0.08 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2k7o h GLU 58 Cb -0.03 -0.27 -0.04 0.00 -0.16 0.00 0.00 28.75 28.26 2k7o h GLU 58 CO -0.02 0.79 0.41 1.15 -1.18 0.00 0.00 179.01 180.16 2k7o h THR 59 N 1.22 1.26 -0.22 0.32 2.02 -1.25 -2.83 112.91 113.43 2k7o h THR 59 Ca 0.33 -0.74 -0.21 0.00 0.77 0.00 0.00 66.41 66.56 2k7o h THR 59 Cb -0.14 0.17 0.01 0.00 -1.74 0.00 0.00 68.15 66.45 2k7o h THR 59 CO -0.07 0.32 -0.67 -0.07 0.37 0.00 0.00 175.52 175.40 2k7o h LEU 60 N 1.22 0.97 -8.31 2.58 3.38 -0.25 -3.40 115.31 111.50 2k7o h LEU 60 Ca 0.29 -0.58 -0.39 0.00 0.09 0.00 0.00 57.88 57.29 2k7o h LEU 60 Cb 0.12 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 2k7o h LEU 60 CO -0.04 1.38 1.00 -1.81 0.09 0.00 0.00 178.44 179.07 2k7o s ASP 61 N -7.04 5.30 0.25 -0.43 1.01 0.69 -4.79 116.67 111.67 2k7o s ASP 61 Ca -0.11 -0.37 -0.06 0.00 0.71 0.00 0.00 52.55 52.73 2k7o s ASP 61 Cb 0.09 -2.55 0.26 0.00 1.01 0.00 0.00 42.92 41.73 2k7o s ASP 61 CO 0.90 -2.51 1.93 -0.33 0.21 0.00 0.00 175.17 175.37 2k7o h GLU 62 N 12.42 1.33 0.00 8.23 3.07 -1.80 -1.47 114.58 136.35 2k7o h GLU 62 Ca -0.03 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 2k7o h GLU 62 Cb 1.06 -0.30 0.00 0.00 -0.84 0.00 0.00 28.75 28.67 2k7o h GLU 62 CO 1.23 0.88 -0.19 0.38 -1.40 0.00 0.00 179.01 179.90 2k7o h ASP 63 N 1.37 0.00 -1.48 1.42 2.03 -1.94 -3.47 116.42 114.35 2k7o h ASP 63 Ca 0.37 -0.06 -0.21 0.00 -0.73 0.00 0.00 57.03 56.41 2k7o h ASP 63 Cb -0.16 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.33 2k7o h ASP 63 CO -0.08 0.03 -0.27 0.61 -1.03 0.00 0.00 179.24 178.50 2k7o n GLY 64 N 1.29 -0.05 0.00 7.15 0.00 -0.55 -4.88 105.19 108.14 2k7o n GLY 64 Ca 0.05 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.75 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 0.01 0.00 0.00 1.61 5.75 -1.26 -4.84 116.55 117.82 2k7o n ASP 65 Ca -0.12 -0.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.82 2k7o n ASP 65 Cb 0.59 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 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 0.64 0.68 3.09 6.12 0.00 -1.26 -4.96 105.19 109.50 2k7o n GLY 66 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.29 0.61 -0.38 1.61 2.02 -1.26 -4.60 118.70 116.42 2k7o s GLU 67 Ca 0.00 -1.22 -0.09 0.00 0.02 0.00 0.00 54.97 53.68 2k7o s GLU 67 Cb 0.00 0.20 0.05 0.00 0.10 0.00 0.00 34.13 34.48 2k7o s GLU 67 CO 0.00 -0.11 0.19 0.00 0.02 0.00 0.00 175.26 175.36 2k7o n ASP 69 N 4.91 -1.89 0.04 0.00 5.75 -1.26 -3.11 116.55 120.98 2k7o n ASP 69 Ca -0.11 -1.11 -0.12 0.00 -0.01 0.00 0.00 54.79 53.44 2k7o n ASP 69 Cb 0.45 -0.90 -0.07 0.00 -1.03 0.00 0.00 41.12 39.57 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 -2.56 -0.01 0.19 2.11 3.04 -1.99 0.18 116.94 117.89 2k7o h PHE 70 Ca -0.37 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.58 2k7o h PHE 70 Cb 1.12 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.63 2k7o h PHE 70 CO 0.00 -0.00 -0.11 1.96 -2.02 0.00 0.00 178.31 178.13 2k7o h GLN 71 N -0.01 -0.28 -0.58 1.11 4.20 -1.96 -1.87 115.11 115.72 2k7o h GLN 71 Ca -0.00 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.73 2k7o h GLN 71 Cb 0.01 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2k7o h GLN 71 CO 0.00 -0.19 0.38 0.93 -0.67 0.00 0.00 178.83 179.29 2k7o h GLU 72 N -0.29 0.76 -0.91 1.46 5.08 -1.88 -0.28 114.58 118.53 2k7o h GLU 72 Ca -0.02 -0.05 0.24 0.00 -1.00 0.00 0.00 59.36 58.53 2k7o h GLU 72 Cb 0.24 -0.17 -0.13 0.00 0.50 0.00 0.00 28.75 29.19 2k7o h GLU 72 CO 0.02 0.51 0.39 0.35 -1.00 0.00 0.00 179.01 179.27 2k7o h PHE 73 N 0.78 0.63 -0.37 4.33 3.57 -0.21 1.06 116.94 126.74 2k7o h PHE 73 Ca 0.21 0.04 -0.17 0.00 3.53 0.00 0.00 57.97 61.59 2k7o h PHE 73 Cb -0.09 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.51 2k7o h PHE 73 CO -0.03 -0.09 -0.42 0.52 -2.23 0.00 0.00 178.31 176.06 2k7o h MET 74 N 0.36 0.93 0.00 1.11 2.86 -0.42 -2.61 114.93 117.17 2k7o h MET 74 Ca 0.58 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2k7o h MET 74 Cb 1.15 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2k7o h MET 74 CO -0.56 1.17 0.16 0.00 1.06 0.00 0.00 176.91 178.74 2k7o n ALA 75 N -2.55 0.77 -0.03 6.32 0.00 0.36 0.18 120.51 125.54 2k7o n ALA 75 Ca -0.03 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 2k7o n ALA 75 Cb 0.56 -0.89 -0.14 0.00 0.00 0.00 0.00 19.45 18.98 2k7o n ALA 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k7o n PHE 76 N -1.82 0.85 -0.21 0.00 -0.00 -0.70 -3.21 117.46 112.37 2k7o n PHE 76 Ca -0.01 0.30 -0.09 0.00 -0.00 0.00 0.00 57.45 57.66 2k7o n PHE 76 Cb 0.18 -1.16 0.03 0.00 -0.00 0.00 0.00 39.48 38.53 2k7o n PHE 76 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2k7o h VAL 77 N 0.00 1.27 0.02 -2.13 2.07 0.19 -2.00 116.25 115.67 2k7o h VAL 77 Ca -0.33 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 2k7o h VAL 77 Cb 2.05 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2k7o h VAL 77 CO 0.07 0.43 -0.01 0.77 0.02 0.00 0.00 177.57 178.85 2k7o h SER 78 N 0.98 -0.02 -1.01 0.57 4.64 -1.41 -0.83 113.55 116.47 2k7o h SER 78 Ca 0.17 -0.54 0.13 0.00 -0.47 0.00 0.00 61.79 61.08 2k7o h SER 78 Cb 0.58 0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 62.59 2k7o h SER 78 CO 0.03 0.53 0.63 -0.03 -0.87 0.00 0.00 176.83 177.13 2k7o h MET 79 N -0.60 0.95 -0.12 4.77 1.85 -1.54 0.39 114.93 120.62 2k7o h MET 79 Ca -0.00 -0.06 -0.12 0.00 -0.61 0.00 0.00 59.70 58.91 2k7o h MET 79 Cb 0.56 -0.21 -0.01 0.00 0.43 0.00 0.00 31.60 32.37 2k7o h MET 79 CO 0.00 0.63 -0.47 0.28 -0.40 0.00 0.00 176.91 176.95 2k7o h VAL 80 N 0.97 1.33 -0.59 -5.77 2.07 -1.33 -1.06 116.25 111.87 2k7o h VAL 80 Ca 0.51 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 2k7o h VAL 80 Cb 0.53 1.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 2k7o h VAL 80 CO -0.28 0.50 0.27 0.74 0.02 0.00 0.00 177.57 178.83 2k7o h THR 81 N 0.25 1.21 0.10 2.57 2.02 0.12 -0.79 112.91 118.39 2k7o h THR 81 Ca 0.01 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 2k7o h THR 81 Cb 0.93 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2k7o h THR 81 CO 0.08 0.25 -0.05 0.71 0.37 0.00 0.00 175.52 176.88 2k7o h THR 82 N 0.80 1.14 -1.01 3.16 1.35 -0.94 -3.11 112.91 114.31 2k7o h THR 82 Ca 0.20 -1.09 0.25 0.00 -0.55 0.00 0.00 66.41 65.22 2k7o h THR 82 Cb 0.14 1.81 -0.12 0.00 -1.73 0.00 0.00 68.15 68.25 2k7o h THR 82 CO -0.02 0.26 0.60 0.00 -0.25 0.00 0.00 175.52 176.10 2k7o h ALA 83 N 0.15 1.82 -2.60 6.62 0.00 -1.08 -3.41 119.26 120.77 2k7o h ALA 83 Ca -0.01 0.12 -0.56 0.00 0.00 0.00 0.00 54.91 54.46 2k7o h ALA 83 Cb 0.52 0.02 0.11 0.00 0.00 0.00 0.00 17.79 18.44 2k7o h ALA 83 CO 0.02 -0.30 0.55 0.00 0.00 0.00 0.00 179.25 179.53 2k7o s HIS 85 N -1.10 2.63 0.27 0.00 3.76 -1.26 -4.94 115.29 114.65 2k7o s HIS 85 Ca 0.55 1.07 -0.30 0.00 -0.15 0.00 0.00 55.06 56.23 2k7o s HIS 85 Cb -0.55 -4.03 -0.09 0.00 1.11 0.00 0.00 32.58 29.01 2k7o s HIS 85 CO 0.63 -3.15 1.08 -1.21 -0.85 0.00 0.00 174.74 171.24 2k7o s GLU 86 N -1.67 4.67 -0.78 1.40 2.02 -1.26 -3.96 118.70 119.11 2k7o s GLU 86 Ca 0.56 1.77 -0.00 0.00 0.02 0.00 0.00 54.97 57.31 2k7o s GLU 86 Cb -0.47 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 30.56 2k7o s GLU 86 CO 0.59 0.25 0.65 0.34 0.02 0.00 0.00 175.26 177.11 2k7o n PHE 87 N 1.25 -2.51 -1.90 1.61 7.35 -1.26 -4.85 117.46 117.15 2k7o n PHE 87 Ca -0.01 0.99 -0.41 0.00 -0.76 0.00 0.00 57.45 57.26 2k7o n PHE 87 Cb 0.45 -3.42 -0.01 0.00 0.35 0.00 0.00 39.48 36.85 2k7o n PHE 87 CO 0.00 0.00 0.00 0.12 -0.76 0.00 0.00 176.76 176.12 2k7o s PHE 88 N -2.98 2.73 0.43 -5.13 5.36 -1.25 -4.97 117.98 112.16 2k7o s PHE 88 Ca 0.00 1.25 -0.21 0.00 -0.96 0.00 0.00 56.93 57.01 2k7o s PHE 88 Cb -0.00 -3.91 -0.11 0.00 -0.34 0.00 0.00 43.02 38.66 2k7o s PHE 88 CO 0.83 -2.63 0.94 -1.83 -1.46 0.00 0.00 175.22 171.07 2k7o s GLU 89 N -2.01 4.23 -0.13 10.12 -1.05 -1.26 -4.59 118.70 124.00 2k7o s GLU 89 Ca 0.52 1.11 -0.09 0.00 -0.15 0.00 0.00 54.97 56.35 2k7o s GLU 89 Cb -0.44 -2.19 0.03 0.00 -0.44 0.00 0.00 34.13 31.09 2k7o s GLU 89 CO 0.60 -0.02 0.18 0.72 0.95 0.00 0.00 175.26 177.69 2k7o n HIS 90 N -0.62 -3.20 0.49 4.83 8.25 -1.26 -5.27 115.22 118.44 2k7o n HIS 90 Ca 0.07 1.86 0.04 0.00 -0.26 0.00 0.00 57.72 59.43 2k7o n HIS 90 Cb 0.54 -3.07 0.23 0.00 1.12 0.00 0.00 29.99 28.81 2k7o n HIS 90 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07