#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 0.04 -0.07 1.43 5.08 -2.06 -2.31 114.58 116.69 2k7o h GLU 2 Ca 0.00 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.22 2k7o h GLU 2 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2k7o h GLU 2 CO 0.00 0.37 -0.52 -0.07 -1.00 0.00 0.00 179.01 177.78 2k7o h LEU 3 N 0.04 0.22 -0.90 1.33 4.07 -2.05 -2.76 115.31 115.26 2k7o h LEU 3 Ca 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.86 2k7o h LEU 3 Cb 0.60 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.23 2k7o h LEU 3 CO 0.04 0.70 0.57 -0.08 -1.08 0.00 0.00 178.44 178.60 2k7o h GLU 4 N 0.16 1.20 -0.52 1.13 4.81 -1.85 0.27 114.58 119.77 2k7o h GLU 4 Ca 0.00 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 2k7o h GLU 4 Cb 0.98 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.08 2k7o h GLU 4 CO 0.08 0.81 -0.15 -0.22 -0.73 0.00 0.00 179.01 178.81 2k7o h LYS 5 N 1.23 1.02 -0.16 1.92 3.64 -1.49 0.30 116.57 123.02 2k7o h LYS 5 Ca 0.33 -0.40 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2k7o h LYS 5 Cb -0.10 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2k7o h LYS 5 CO -0.07 1.08 0.10 0.00 -2.27 0.00 0.00 179.45 178.30 2k7o h ALA 6 N 0.90 0.20 0.19 5.00 0.00 -1.06 0.99 119.26 125.49 2k7o h ALA 6 Ca 0.13 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k7o h ALA 6 Cb 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2k7o h ALA 6 CO 0.06 -0.29 -0.09 1.98 0.00 0.00 0.00 179.25 180.90 2k7o h MET 7 N 0.20 -0.25 -1.01 0.00 1.85 -0.88 -2.32 114.93 112.51 2k7o h MET 7 Ca 0.06 0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.18 2k7o h MET 7 Cb 0.01 0.06 -0.05 0.00 0.43 0.00 0.00 31.60 32.05 2k7o h MET 7 CO -0.01 0.01 0.67 0.28 -0.40 0.00 0.00 176.91 177.46 2k7o h VAL 8 N -0.50 1.24 -0.68 -5.77 2.07 -0.79 -2.26 116.25 109.57 2k7o h VAL 8 Ca -0.03 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.04 2k7o h VAL 8 Cb 0.38 -0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 29.89 2k7o h VAL 8 CO 0.04 0.25 0.44 0.00 0.02 0.00 0.00 177.57 178.32 2k7o h ALA 9 N 1.38 0.87 -0.06 1.67 0.00 0.12 -2.06 119.26 121.18 2k7o h ALA 9 Ca 0.38 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 2k7o h ALA 9 Cb -0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 2k7o h ALA 9 CO -0.09 0.26 0.04 -0.07 0.00 0.00 0.00 179.25 179.39 2k7o h LEU 10 N 0.90 0.07 -0.08 0.00 3.38 -0.84 -0.83 115.31 117.90 2k7o h LEU 10 Ca 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2k7o h LEU 10 Cb -0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2k7o h LEU 10 CO -0.07 0.08 0.05 0.40 0.09 0.00 0.00 178.44 178.99 2k7o h ILE 11 N 0.05 1.01 -0.92 1.22 2.04 -1.29 0.25 117.51 119.88 2k7o h ILE 11 Ca 0.02 -0.03 0.03 0.00 1.00 0.00 0.00 64.86 65.88 2k7o h ILE 11 Cb 0.02 0.91 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 2k7o h ILE 11 CO -0.00 0.02 0.60 0.44 0.00 0.00 0.00 178.15 179.20 2k7o h ASP 12 N 0.10 0.99 -0.30 1.72 3.32 -1.26 -0.34 116.42 120.65 2k7o h ASP 12 Ca 0.03 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.92 2k7o h ASP 12 Cb -0.01 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 2k7o h ASP 12 CO -0.01 0.68 -0.40 0.58 -1.72 0.00 0.00 179.24 178.37 2k7o h VAL 13 N 1.16 1.29 0.65 -1.35 2.07 -0.73 -2.58 116.25 116.76 2k7o h VAL 13 Ca 0.36 -1.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 2k7o h VAL 13 Cb -0.01 1.59 0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2k7o h VAL 13 CO -0.12 0.51 -0.31 0.15 0.02 0.00 0.00 177.57 177.83 2k7o h PHE 14 N 0.56 -0.80 -0.96 1.57 3.57 0.11 0.83 116.94 121.82 2k7o h PHE 14 Ca 0.03 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.54 2k7o h PHE 14 Cb 0.99 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.95 2k7o h PHE 14 CO 0.07 -0.46 0.63 1.25 -2.23 0.00 0.00 178.31 177.57 2k7o h HIS 15 N -1.12 1.19 -0.47 0.41 2.76 -1.19 2.27 115.15 119.00 2k7o h HIS 15 Ca -0.09 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 57.98 2k7o h HIS 15 Cb 0.70 -0.40 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 2k7o h HIS 15 CO 0.00 0.73 -0.23 1.96 -1.30 0.00 0.00 177.93 179.09 2k7o h GLN 16 N 1.26 0.99 -0.15 5.26 4.20 -1.49 -1.37 115.11 123.81 2k7o h GLN 16 Ca 0.36 -0.43 -0.20 0.00 0.06 0.00 0.00 58.65 58.44 2k7o h GLN 16 Cb -0.09 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.67 2k7o h GLN 16 CO -0.09 1.11 -0.68 -0.92 -0.67 0.00 0.00 178.83 177.57 2k7o h TYR 17 N 0.85 0.98 0.00 2.96 3.20 0.12 -3.09 116.97 121.99 2k7o h TYR 17 Ca 0.11 -0.42 0.00 0.00 3.14 0.00 0.00 58.73 61.55 2k7o h TYR 17 Cb 0.81 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.93 2k7o h TYR 17 CO 0.05 1.24 0.00 0.77 -1.64 0.00 0.00 178.16 178.58 2k7o h SER 18 N 0.44 0.00 -0.33 -2.11 0.02 0.38 -2.65 113.55 109.30 2k7o h SER 18 Ca -0.04 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.84 2k7o h SER 18 Cb 1.31 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.81 2k7o h SER 18 CO 0.14 0.00 0.09 0.61 -1.14 0.00 0.00 176.83 176.53 2k7o n GLY 19 N -0.05 2.49 0.09 -3.77 0.00 -0.52 -4.24 105.19 99.19 2k7o n GLY 19 Ca 0.01 -0.46 -0.17 0.00 0.00 0.00 0.00 46.02 45.40 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 1.46 0.15 -2.87 1.61 2.47 -1.60 -3.48 114.38 112.13 2k7o h ARG 20 Ca 0.09 -0.26 -0.11 0.00 -1.26 0.00 0.00 59.98 58.43 2k7o h ARG 20 Cb 1.40 0.10 -0.21 0.00 -1.65 0.00 0.00 29.97 29.61 2k7o h ARG 20 CO 0.32 1.13 -0.23 -2.00 0.56 0.00 0.00 179.97 179.75 2k7o s GLU 21 N -2.33 0.65 0.93 0.04 2.12 -1.26 -5.12 118.70 113.72 2k7o s GLU 21 Ca -0.16 0.05 0.00 0.00 0.36 0.00 0.00 54.97 55.21 2k7o s GLU 21 Cb -0.01 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.68 2k7o s GLU 21 CO 0.76 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.73 2k7o n GLY 22 N 1.68 -2.06 3.78 -1.50 0.00 -1.26 -4.86 105.19 100.97 2k7o n GLY 22 Ca -0.19 -1.48 -0.36 0.00 0.00 0.00 0.00 46.02 43.99 2k7o n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k7o s ASP 23 N -4.00 6.38 0.31 1.61 1.01 -1.26 -4.97 116.67 115.75 2k7o s ASP 23 Ca 0.00 2.07 -0.29 0.00 0.71 0.00 0.00 52.55 55.04 2k7o s ASP 23 Cb 0.00 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.25 2k7o s ASP 23 CO 0.00 -0.76 1.22 -0.54 0.21 0.00 0.00 175.17 175.30 2k7o s LYS 24 N -2.88 4.48 -0.12 8.23 1.02 -1.26 -3.37 119.74 125.83 2k7o s LYS 24 Ca 0.64 2.04 -0.01 0.00 0.02 0.00 0.00 55.97 58.66 2k7o s LYS 24 Cb -0.21 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 2k7o s LYS 24 CO 0.26 -0.02 0.09 1.58 -0.92 0.00 0.00 175.35 176.35 2k7o n HIS 25 N 0.96 -0.23 -3.31 3.18 -0.00 -1.26 -5.05 115.22 109.51 2k7o n HIS 25 Ca -0.00 0.08 -0.07 0.00 0.46 0.00 0.00 57.72 58.19 2k7o n HIS 25 Cb 0.43 -1.33 -0.07 0.00 -0.12 0.00 0.00 29.99 28.90 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 -5.02 0.39 -0.33 1.57 2.20 -1.22 -4.76 119.74 112.58 2k7o s LYS 26 Ca 0.04 0.60 -0.15 0.00 -0.36 0.00 0.00 55.97 56.11 2k7o s LYS 26 Cb -0.02 -0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 35.99 2k7o s LYS 26 CO 0.06 -0.66 0.35 -0.51 -0.36 0.00 0.00 175.35 174.23 2k7o s LEU 27 N 2.60 4.35 0.50 5.43 1.02 -1.21 -4.79 118.68 126.58 2k7o s LEU 27 Ca 0.14 -0.14 -0.05 0.00 0.02 0.00 0.00 54.13 54.10 2k7o s LEU 27 Cb -0.15 -2.33 -0.03 0.00 0.02 0.00 0.00 46.19 43.70 2k7o s LEU 27 CO -0.17 -0.29 0.81 -0.75 0.02 0.00 0.00 176.35 175.96 2k7o s LYS 28 N 2.00 3.42 0.25 1.70 2.20 -1.26 -1.86 119.74 126.18 2k7o s LYS 28 Ca 0.12 0.15 -0.05 0.00 -0.36 0.00 0.00 55.97 55.83 2k7o s LYS 28 Cb -0.16 -2.36 0.34 0.00 -1.51 0.00 0.00 37.83 34.14 2k7o s LYS 28 CO 0.11 -0.30 1.87 -0.22 -0.36 0.00 0.00 175.35 176.45 2k7o h LYS 29 N 0.15 1.04 -0.72 4.03 3.64 -1.98 1.04 116.57 123.77 2k7o h LYS 29 Ca -0.47 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 58.79 2k7o h LYS 29 Cb 1.21 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.77 2k7o h LYS 29 CO 0.61 0.69 0.20 1.03 -2.27 0.00 0.00 179.45 179.71 2k7o h SER 30 N 1.07 1.06 -0.15 4.20 0.87 -1.99 0.01 113.55 118.62 2k7o h SER 30 Ca 0.39 -0.21 -0.14 0.00 -1.23 0.00 0.00 61.79 60.60 2k7o h SER 30 Cb 0.13 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.81 2k7o h SER 30 CO -0.16 1.00 -0.41 -0.08 -0.53 0.00 0.00 176.83 176.65 2k7o h GLU 31 N 1.08 0.69 -0.64 2.24 4.81 -1.46 -2.69 114.58 118.60 2k7o h GLU 31 Ca 0.23 -0.36 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 2k7o h GLU 31 Cb 0.33 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2k7o h GLU 31 CO -0.00 0.97 0.27 1.25 -0.73 0.00 0.00 179.01 180.77 2k7o h LEU 32 N 0.56 0.87 -0.81 1.64 5.85 0.16 -1.53 115.31 122.06 2k7o h LEU 32 Ca 0.04 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 2k7o h LEU 32 Cb 0.95 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 2k7o h LEU 32 CO 0.09 0.79 0.49 0.50 -0.34 0.00 0.00 178.44 179.97 2k7o h LYS 33 N 0.90 1.10 -0.42 1.25 3.64 -0.80 -1.81 116.57 120.42 2k7o h LYS 33 Ca 0.22 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 2k7o h LYS 33 Cb 0.18 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2k7o h LYS 33 CO -0.02 0.77 0.12 1.49 -2.27 0.00 0.00 179.45 179.54 2k7o h GLU 34 N 1.11 0.66 -0.13 1.90 4.57 -1.12 -1.99 114.58 119.58 2k7o h GLU 34 Ca 0.29 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2k7o h GLU 34 Cb -0.05 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 2k7o h GLU 34 CO -0.06 0.66 0.08 1.25 -1.18 0.00 0.00 179.01 179.76 2k7o h LEU 35 N 0.54 0.14 -0.31 1.64 6.46 -0.91 -0.13 115.31 122.74 2k7o h LEU 35 Ca 0.13 -0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2k7o h LEU 35 Cb 0.28 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2k7o h LEU 35 CO -0.00 0.10 0.19 0.40 -0.62 0.00 0.00 178.44 178.51 2k7o h ILE 36 N 0.17 1.10 -0.61 4.05 2.04 -1.27 0.89 117.51 123.88 2k7o h ILE 36 Ca 0.05 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2k7o h ILE 36 Cb -0.02 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 2k7o h ILE 36 CO -0.01 0.10 0.36 -1.13 0.00 0.00 0.00 178.15 177.46 2k7o h ASN 37 N 0.40 0.75 0.08 1.72 -0.73 -1.10 -2.32 115.58 114.38 2k7o h ASN 37 Ca 0.11 -0.07 -0.13 0.00 1.87 0.00 0.00 56.30 58.08 2k7o h ASN 37 Cb -0.01 -0.19 0.01 0.00 0.27 0.00 0.00 38.32 38.40 2k7o h ASN 37 CO -0.02 0.60 -0.60 0.78 -0.37 0.00 0.00 177.43 177.82 2k7o h ASN 38 N 0.83 0.26 0.00 1.15 2.35 -0.74 -3.41 115.58 116.02 2k7o h ASN 38 Ca 0.22 -0.93 0.00 0.00 -0.55 0.00 0.00 56.30 55.04 2k7o h ASN 38 Cb 0.01 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2k7o h ASN 38 CO -0.04 1.28 0.00 -0.62 -1.65 0.00 0.00 177.43 176.40 2k7o n GLU 39 N -4.30 0.00 -2.76 0.81 1.02 0.31 -4.73 120.64 110.99 2k7o n GLU 39 Ca -0.15 0.15 -0.43 0.00 -0.02 0.00 0.00 57.16 56.72 2k7o n GLU 39 Cb 0.70 -0.55 -0.03 0.00 -0.02 0.00 0.00 31.44 31.53 2k7o n GLU 39 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2k7o s LEU 40 N -3.11 4.23 0.00 -4.62 2.96 -0.88 -4.44 118.68 112.82 2k7o s LEU 40 Ca 0.00 -1.44 0.00 0.00 -0.22 0.00 0.00 54.13 52.47 2k7o s LEU 40 Cb 0.00 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.22 2k7o s LEU 40 CO 0.00 -1.37 0.00 -1.54 -1.32 0.00 0.00 176.35 172.12 2k7o n SER 41 N 7.82 0.00 0.26 3.68 3.41 -1.17 -4.22 113.62 123.40 2k7o n SER 41 Ca 0.18 0.00 0.17 0.00 -0.26 0.00 0.00 58.87 58.96 2k7o n SER 41 Cb 0.49 0.00 0.71 0.00 -0.26 0.00 0.00 64.21 65.15 2k7o n SER 41 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 2k7o h HIS 42 N 0.00 0.00 0.00 7.33 3.86 -1.90 -3.04 115.15 121.40 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 -0.91 1.19 0.86 0.00 0.00 177.93 179.07 2k7o n PHE 43 N -2.93 0.00 -3.88 2.45 3.72 -1.26 -5.00 117.46 110.56 2k7o n PHE 43 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.29 2k7o n PHE 43 Cb 0.26 -0.10 -0.14 0.00 -0.94 0.00 0.00 39.48 38.56 2k7o n PHE 43 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2k7o s LEU 44 N -3.01 2.02 0.00 4.37 2.96 -1.15 -5.12 118.68 118.75 2k7o s LEU 44 Ca -0.00 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 2k7o s LEU 44 Cb 0.06 0.01 0.00 0.00 0.50 0.00 0.00 46.19 46.75 2k7o s LEU 44 CO 0.33 -0.02 0.00 -0.62 -1.32 0.00 0.00 176.35 174.71 2k7o n GLU 45 N 2.96 0.00 0.00 1.98 1.02 -1.26 -4.07 120.64 121.26 2k7o n GLU 45 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 2k7o n GLU 45 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 2k7o n GLU 45 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2k7o n GLU 46 N 0.00 0.00 -3.44 3.49 1.02 -1.26 -4.88 120.64 115.57 2k7o n GLU 46 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 2k7o n GLU 46 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2k7o n GLU 46 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2k7o n ILE 47 N 0.00 -6.66 0.48 -3.67 5.41 -1.26 -4.91 119.36 108.75 2k7o n ILE 47 Ca 0.00 -0.12 0.06 0.00 1.00 0.00 0.00 62.75 63.69 2k7o n ILE 47 Cb 0.00 -4.87 -0.08 0.00 -0.71 0.00 0.00 39.64 33.97 2k7o n ILE 47 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 2k7o n LYS 48 N -2.22 2.09 -4.07 0.38 2.85 -1.26 -4.99 118.16 110.95 2k7o n LYS 48 Ca -0.17 -0.03 -0.13 0.00 -1.05 0.00 0.00 58.31 56.94 2k7o n LYS 48 Cb 0.60 -1.17 -0.11 0.00 -0.65 0.00 0.00 35.03 33.69 2k7o n LYS 48 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2k7o s GLU 49 N -2.42 0.54 0.26 -1.58 2.12 -1.26 -5.04 118.70 111.32 2k7o s GLU 49 Ca 0.03 -0.79 -0.05 0.00 0.36 0.00 0.00 54.97 54.51 2k7o s GLU 49 Cb 0.10 -0.27 0.30 0.00 0.26 0.00 0.00 34.13 34.51 2k7o s GLU 49 CO 0.55 0.04 1.94 1.96 -0.54 0.00 0.00 175.26 179.21 2k7o h GLN 50 N 4.39 1.28 -0.48 4.30 4.20 -2.00 -1.93 115.11 124.87 2k7o h GLN 50 Ca -0.36 -0.08 0.08 0.00 0.06 0.00 0.00 58.65 58.36 2k7o h GLN 50 Cb 1.20 -0.29 -0.03 0.00 0.30 0.00 0.00 27.48 28.66 2k7o h GLN 50 CO 0.42 0.84 0.33 0.93 -0.67 0.00 0.00 178.83 180.69 2k7o h GLU 51 N 1.31 0.30 -0.31 1.46 4.39 -1.98 0.35 114.58 120.11 2k7o h GLU 51 Ca 0.36 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.94 2k7o h GLU 51 Cb -0.15 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 2k7o h GLU 51 CO -0.08 0.20 -0.23 0.28 -1.16 0.00 0.00 179.01 178.02 2k7o h VAL 52 N 0.31 1.27 -0.24 3.13 2.07 -1.77 -2.06 116.25 118.95 2k7o h VAL 52 Ca 0.22 -1.28 -0.19 0.00 0.82 0.00 0.00 66.70 66.27 2k7o h VAL 52 Cb 0.47 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2k7o h VAL 52 CO -0.05 0.42 -0.58 0.58 0.02 0.00 0.00 177.57 177.96 2k7o h VAL 53 N 0.52 1.28 -0.92 2.57 2.07 -0.40 -2.60 116.25 118.78 2k7o h VAL 53 Ca 0.08 -1.77 0.01 0.00 0.82 0.00 0.00 66.70 65.83 2k7o h VAL 53 Cb 0.68 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 2k7o h VAL 53 CO 0.05 0.57 0.61 0.44 0.02 0.00 0.00 177.57 179.26 2k7o h ASP 54 N 0.58 1.06 0.07 0.57 3.32 -0.26 1.10 116.42 122.85 2k7o h ASP 54 Ca -0.00 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 2k7o h ASP 54 Cb 1.20 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.48 2k7o h ASP 54 CO 0.13 0.77 -0.03 0.11 -1.72 0.00 0.00 179.24 178.49 2k7o h LYS 55 N 1.25 -0.08 -0.53 3.56 1.79 -1.36 -1.36 116.57 119.83 2k7o h LYS 55 Ca 0.34 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.78 2k7o h LYS 55 Cb -0.14 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 2k7o h LYS 55 CO -0.07 0.26 0.21 0.28 -1.08 0.00 0.00 179.45 179.05 2k7o h VAL 56 N -0.44 1.22 -0.05 0.50 2.07 -1.08 -1.18 116.25 117.29 2k7o h VAL 56 Ca -0.01 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 2k7o h VAL 56 Cb 0.38 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2k7o h VAL 56 CO 0.01 0.26 0.03 -0.03 0.02 0.00 0.00 177.57 177.86 2k7o h MET 57 N 0.72 0.07 -0.91 1.57 1.85 0.13 0.71 114.93 119.08 2k7o h MET 57 Ca 0.18 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.26 2k7o h MET 57 Cb 0.21 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.18 2k7o h MET 57 CO -0.01 0.13 0.57 0.93 -0.40 0.00 0.00 176.91 178.12 2k7o h GLU 58 N -0.01 1.22 -0.56 0.39 4.39 -1.14 0.45 114.58 119.32 2k7o h GLU 58 Ca 0.02 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.51 2k7o h GLU 58 Cb 0.08 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 2k7o h GLU 58 CO -0.00 0.84 -0.08 1.15 -1.16 0.00 0.00 179.01 179.75 2k7o h THR 59 N 1.24 1.27 -0.34 1.13 2.02 -0.82 -2.93 112.91 114.49 2k7o h THR 59 Ca 0.33 -1.25 0.01 0.00 0.77 0.00 0.00 66.41 66.27 2k7o h THR 59 Cb -0.09 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 2k7o h THR 59 CO -0.07 0.44 0.21 0.25 0.37 0.00 0.00 175.52 176.73 2k7o h LEU 60 N 0.93 0.36 -8.58 2.58 6.46 0.14 -3.38 115.31 113.83 2k7o h LEU 60 Ca 0.15 -0.01 -0.47 0.00 -0.12 0.00 0.00 57.88 57.43 2k7o h LEU 60 Cb 0.66 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.50 2k7o h LEU 60 CO 0.05 0.26 1.57 -1.81 -0.62 0.00 0.00 178.44 177.88 2k7o s ASP 61 N -5.48 4.63 0.25 1.25 1.01 0.06 -4.80 116.67 113.59 2k7o s ASP 61 Ca -0.13 0.90 -0.06 0.00 0.71 0.00 0.00 52.55 53.97 2k7o s ASP 61 Cb 0.10 -2.51 0.25 0.00 1.01 0.00 0.00 42.92 41.78 2k7o s ASP 61 CO 0.71 -2.77 1.91 -0.33 0.21 0.00 0.00 175.17 174.91 2k7o h GLU 62 N 18.49 1.30 -0.02 8.23 5.08 -1.83 -2.47 114.58 143.36 2k7o h GLU 62 Ca -0.25 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2k7o h GLU 62 Cb 1.24 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.21 2k7o h GLU 62 CO 1.17 0.89 -0.13 -0.40 -1.00 0.00 0.00 179.01 179.54 2k7o n ASP 63 N -4.37 2.10 -1.13 1.42 5.75 -1.26 -4.94 116.55 114.12 2k7o n ASP 63 Ca 0.11 -1.60 -0.12 0.00 -0.01 0.00 0.00 54.79 53.16 2k7o n ASP 63 Cb 0.04 0.11 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 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 1.31 0.77 0.00 6.12 0.00 -0.93 -4.84 105.19 107.62 2k7o n GLY 64 Ca 0.14 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.15 0.00 0.00 1.61 5.75 -1.26 -4.81 116.55 117.69 2k7o n ASP 65 Ca -0.13 0.36 0.00 0.00 -0.01 0.00 0.00 54.79 55.00 2k7o n ASP 65 Cb 0.49 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 -0.52 3.03 3.69 6.12 0.00 -1.26 -4.97 105.19 111.28 2k7o n GLY 66 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.22 2.09 -0.37 1.61 2.02 -1.26 -4.61 118.70 117.96 2k7o s GLU 67 Ca 0.00 -2.29 -0.03 0.00 0.02 0.00 0.00 54.97 52.68 2k7o s GLU 67 Cb 0.00 -1.44 0.09 0.00 0.10 0.00 0.00 34.13 32.88 2k7o s GLU 67 CO 0.00 -0.29 0.14 0.00 0.02 0.00 0.00 175.26 175.13 2k7o s ASP 69 N 1.62 2.58 0.18 0.00 1.01 -1.26 -3.35 116.67 117.44 2k7o s ASP 69 Ca 0.04 1.24 -0.13 0.00 0.71 0.00 0.00 52.55 54.41 2k7o s ASP 69 Cb -0.22 -1.91 0.09 0.00 1.01 0.00 0.00 42.92 41.89 2k7o s ASP 69 CO -0.03 -3.17 1.81 0.15 0.21 0.00 0.00 175.17 174.15 2k7o h PHE 70 N -1.92 0.79 0.70 4.23 3.57 -1.98 0.36 116.94 122.69 2k7o h PHE 70 Ca -0.54 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 60.92 2k7o h PHE 70 Cb 1.33 -0.26 0.01 0.00 2.79 0.00 0.00 35.95 39.81 2k7o h PHE 70 CO 0.30 0.55 -0.34 1.96 -2.23 0.00 0.00 178.31 178.55 2k7o h GLN 71 N 0.80 -0.90 -0.91 1.11 1.08 -2.00 -2.13 115.11 112.16 2k7o h GLN 71 Ca 0.21 0.06 0.01 0.00 -1.45 0.00 0.00 58.65 57.48 2k7o h GLN 71 Cb -0.01 0.21 -0.05 0.00 -0.05 0.00 0.00 27.48 27.58 2k7o h GLN 71 CO -0.04 -0.60 0.60 0.93 -0.95 0.00 0.00 178.83 178.77 2k7o h GLU 72 N -0.94 1.19 -0.97 1.46 5.08 -1.90 -1.61 114.58 116.90 2k7o h GLU 72 Ca -0.10 -0.07 0.23 0.00 -1.00 0.00 0.00 59.36 58.42 2k7o h GLU 72 Cb 0.72 -0.27 -0.12 0.00 0.50 0.00 0.00 28.75 29.58 2k7o h GLU 72 CO 0.15 0.79 0.54 0.35 -1.00 0.00 0.00 179.01 179.84 2k7o h PHE 73 N 1.23 0.91 -0.27 4.33 3.57 0.10 1.35 116.94 128.16 2k7o h PHE 73 Ca 0.34 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.80 2k7o h PHE 73 Cb -0.13 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.34 2k7o h PHE 73 CO -0.01 0.05 -0.13 0.52 -2.23 0.00 0.00 178.31 176.51 2k7o h MET 74 N 0.55 0.46 0.47 1.11 2.86 -0.64 -0.32 114.93 119.42 2k7o h MET 74 Ca 0.61 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 58.10 2k7o h MET 74 Cb 1.13 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.74 2k7o h MET 74 CO -0.48 0.59 -0.22 0.00 1.06 0.00 0.00 176.91 177.86 2k7o h ALA 75 N 1.44 -0.63 -0.96 6.32 0.00 0.19 0.36 119.26 125.98 2k7o h ALA 75 Ca 0.08 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.93 2k7o h ALA 75 Cb 0.49 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.45 2k7o h ALA 75 CO 0.03 -0.81 0.62 0.35 0.00 0.00 0.00 179.25 179.44 2k7o h PHE 76 N -0.72 1.09 -0.45 0.00 3.57 -0.87 1.65 116.94 121.21 2k7o h PHE 76 Ca -0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 2k7o h PHE 76 Cb 0.53 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 2k7o h PHE 76 CO -0.02 0.49 0.28 0.28 -2.23 0.00 0.00 178.31 177.10 2k7o h VAL 77 N 1.00 1.14 -0.38 1.41 2.07 -0.45 -1.57 116.25 119.47 2k7o h VAL 77 Ca 0.45 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.60 2k7o h VAL 77 Cb 0.38 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 2k7o h VAL 77 CO -0.21 0.14 -0.03 0.28 0.02 0.00 0.00 177.57 177.77 2k7o h SER 78 N 0.60 0.69 -0.98 0.57 0.02 0.37 -2.79 113.55 112.03 2k7o h SER 78 Ca 0.16 -0.33 0.19 0.00 -0.84 0.00 0.00 61.79 60.98 2k7o h SER 78 Cb -0.02 -0.19 -0.11 0.00 0.14 0.00 0.00 62.40 62.23 2k7o h SER 78 CO -0.03 0.85 0.57 -0.03 -1.14 0.00 0.00 176.83 177.05 2k7o h MET 79 N 0.51 0.68 0.00 3.45 -1.53 0.28 2.43 114.93 120.75 2k7o h MET 79 Ca 0.11 -0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.31 2k7o h MET 79 Cb 0.51 -0.15 -0.00 0.00 -0.55 0.00 0.00 31.60 31.41 2k7o h MET 79 CO 0.03 0.45 -0.05 0.28 0.14 0.00 0.00 176.91 177.75 2k7o h VAL 80 N 0.70 0.71 0.00 -5.77 2.07 -1.03 1.60 116.25 114.52 2k7o h VAL 80 Ca 0.57 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.82 2k7o h VAL 80 Cb 0.92 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2k7o h VAL 80 CO -0.40 0.05 -0.31 0.74 0.02 0.00 0.00 177.57 177.67 2k7o h THR 81 N 0.00 1.42 0.00 2.57 2.02 0.39 -3.18 112.91 116.13 2k7o h THR 81 Ca -0.00 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 64.99 2k7o h THR 81 Cb 0.12 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 2k7o h THR 81 CO 0.01 0.48 0.00 0.71 0.37 0.00 0.00 175.52 177.09 2k7o h THR 82 N -1.00 0.00 -0.02 3.16 1.35 0.61 -3.16 112.91 113.85 2k7o h THR 82 Ca -0.08 -0.59 -0.06 0.00 -0.55 0.00 0.00 66.41 65.12 2k7o h THR 82 Cb 0.99 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.00 2k7o h THR 82 CO -0.05 0.00 -0.23 0.00 -0.25 0.00 0.00 175.52 174.99 2k7o h ALA 83 N 2.03 0.05 -2.43 6.62 0.00 0.22 -3.43 119.26 122.32 2k7o h ALA 83 Ca 0.00 -0.44 -0.54 0.00 0.00 0.00 0.00 54.91 53.93 2k7o h ALA 83 Cb 0.61 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2k7o h ALA 83 CO 0.00 0.07 0.41 0.00 0.00 0.00 0.00 179.25 179.73 2k7o s HIS 85 N 0.99 3.46 -0.22 0.00 3.76 -1.26 -4.89 115.29 117.13 2k7o s HIS 85 Ca 0.53 1.12 -0.29 0.00 -0.15 0.00 0.00 55.06 56.27 2k7o s HIS 85 Cb -0.23 -2.87 -0.03 0.00 1.11 0.00 0.00 32.58 30.56 2k7o s HIS 85 CO 0.28 -0.92 1.67 -1.21 -0.85 0.00 0.00 174.74 173.72 2k7o s GLU 86 N -5.24 3.75 0.00 1.40 2.02 -1.26 -4.81 118.70 114.56 2k7o s GLU 86 Ca 0.56 1.70 0.23 0.00 0.02 0.00 0.00 54.97 57.48 2k7o s GLU 86 Cb -0.11 -4.07 0.16 0.00 0.10 0.00 0.00 34.13 30.22 2k7o s GLU 86 CO 0.52 -1.35 1.21 0.34 0.02 0.00 0.00 175.26 176.00 2k7o n PHE 87 N 8.67 0.00 1.14 1.61 7.35 -1.26 -4.19 117.46 130.78 2k7o n PHE 87 Ca 0.20 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.93 2k7o n PHE 87 Cb 0.45 0.00 0.14 0.00 0.35 0.00 0.00 39.48 40.42 2k7o n PHE 87 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2k7o n PHE 88 N 1.16 0.36 1.14 -5.13 3.72 -1.26 -3.56 117.46 113.88 2k7o n PHE 88 Ca 0.13 -0.18 0.13 0.00 -0.05 0.00 0.00 57.45 57.48 2k7o n PHE 88 Cb 0.56 0.00 0.37 0.00 -0.94 0.00 0.00 39.48 39.48 2k7o n PHE 88 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2k7o n GLU 89 N 0.29 0.36 -3.94 -1.08 1.02 -1.26 -4.84 120.64 111.20 2k7o n GLU 89 Ca 0.10 -0.19 -0.35 0.00 -0.02 0.00 0.00 57.16 56.70 2k7o n GLU 89 Cb 0.23 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.10 2k7o n GLU 89 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2k7o s HIS 90 N -2.77 3.53 -1.37 -0.32 2.46 -1.23 -5.24 115.29 110.35 2k7o s HIS 90 Ca 0.18 0.41 0.00 0.00 0.47 0.00 0.00 55.06 56.12 2k7o s HIS 90 Cb 0.19 -1.87 0.00 0.00 -0.13 0.00 0.00 32.58 30.77 2k7o s HIS 90 CO 0.60 0.67 0.34 0.39 -2.47 0.00 0.00 174.74 174.27