#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 0.15 -0.02 4.33 5.08 -2.07 -1.90 114.58 120.16 2k7o h GLU 2 Ca 0.00 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 2k7o h GLU 2 Cb 0.00 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2k7o h GLU 2 CO 0.00 0.32 -0.49 -0.07 -1.00 0.00 0.00 179.01 177.76 2k7o h LEU 3 N 0.14 0.05 -0.71 1.33 3.38 -2.06 -2.97 115.31 114.47 2k7o h LEU 3 Ca 0.03 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2k7o h LEU 3 Cb 0.37 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 2k7o h LEU 3 CO 0.02 0.53 0.15 -0.33 0.09 0.00 0.00 178.44 178.91 2k7o h GLU 4 N 0.03 1.14 -0.73 1.13 5.08 -1.79 -2.54 114.58 116.91 2k7o h GLU 4 Ca -0.00 -0.29 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 2k7o h GLU 4 Cb 0.89 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2k7o h GLU 4 CO 0.07 1.02 0.19 0.87 -1.00 0.00 0.00 179.01 180.15 2k7o h LYS 5 N 1.08 1.15 -0.21 2.33 1.57 -1.45 -1.64 116.57 119.40 2k7o h LYS 5 Ca 0.22 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2k7o h LYS 5 Cb 0.40 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2k7o h LYS 5 CO 0.01 1.00 0.14 0.00 -0.57 0.00 0.00 179.45 180.03 2k7o h ALA 6 N 1.10 0.27 -0.13 3.86 0.00 -1.40 0.29 119.26 123.24 2k7o h ALA 6 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2k7o h ALA 6 Cb 0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2k7o h ALA 6 CO -0.00 -0.26 0.09 1.98 0.00 0.00 0.00 179.25 181.06 2k7o h MET 7 N 0.28 0.18 -1.00 0.00 1.85 -1.26 -2.00 114.93 112.98 2k7o h MET 7 Ca 0.08 -0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.17 2k7o h MET 7 Cb -0.03 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 31.91 2k7o h MET 7 CO -0.02 0.12 0.66 0.28 -0.40 0.00 0.00 176.91 177.56 2k7o h VAL 8 N 0.18 1.25 -0.73 -5.77 2.07 -0.96 -1.93 116.25 110.36 2k7o h VAL 8 Ca 0.05 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.13 2k7o h VAL 8 Cb -0.01 -0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 29.50 2k7o h VAL 8 CO -0.01 0.25 0.47 0.00 0.02 0.00 0.00 177.57 178.30 2k7o h ALA 9 N 1.37 0.94 0.00 1.67 0.00 0.17 -1.26 119.26 122.15 2k7o h ALA 9 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2k7o h ALA 9 Cb -0.14 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 2k7o h ALA 9 CO -0.09 0.30 -0.00 -0.07 0.00 0.00 0.00 179.25 179.39 2k7o h LEU 10 N 0.94 -0.01 -0.01 0.00 3.38 -0.65 0.09 115.31 119.05 2k7o h LEU 10 Ca 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 2k7o h LEU 10 Cb -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2k7o h LEU 10 CO -0.08 -0.01 0.00 0.40 0.09 0.00 0.00 178.44 178.84 2k7o h ILE 11 N -0.01 1.08 -1.00 1.22 2.04 -1.21 0.18 117.51 119.81 2k7o h ILE 11 Ca 0.00 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.64 2k7o h ILE 11 Cb 0.01 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.27 2k7o h ILE 11 CO -0.00 0.06 0.66 0.44 0.00 0.00 0.00 178.15 179.31 2k7o h ASP 12 N -0.09 1.14 -0.35 1.72 3.32 -1.15 -1.24 116.42 119.77 2k7o h ASP 12 Ca 0.00 -0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.87 2k7o h ASP 12 Cb 0.10 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 2k7o h ASP 12 CO -0.00 0.82 -0.38 0.58 -1.72 0.00 0.00 179.24 178.54 2k7o h VAL 13 N 1.35 1.28 0.52 -1.35 2.07 -0.71 -2.87 116.25 116.54 2k7o h VAL 13 Ca 0.37 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.30 2k7o h VAL 13 Cb -0.15 1.47 0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2k7o h VAL 13 CO -0.08 0.51 -0.25 0.15 0.02 0.00 0.00 177.57 177.92 2k7o h PHE 14 N 0.67 -0.65 -0.79 1.57 3.04 -0.07 0.18 116.94 120.87 2k7o h PHE 14 Ca 0.05 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.99 2k7o h PHE 14 Cb 0.98 0.22 -0.04 0.00 2.56 0.00 0.00 35.95 39.66 2k7o h PHE 14 CO 0.07 -0.35 0.53 1.25 -2.02 0.00 0.00 178.31 177.78 2k7o h HIS 15 N -0.84 1.00 -0.34 0.41 2.76 -1.33 1.26 115.15 118.07 2k7o h HIS 15 Ca -0.07 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 57.95 2k7o h HIS 15 Cb 0.60 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 2k7o h HIS 15 CO -0.01 0.63 -0.45 1.96 -1.30 0.00 0.00 177.93 178.76 2k7o h GLN 16 N 1.08 0.91 -0.13 5.26 4.20 -1.51 0.23 115.11 125.14 2k7o h GLN 16 Ca 0.29 -0.52 -0.05 0.00 0.06 0.00 0.00 58.65 58.43 2k7o h GLN 16 Cb -0.12 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 2k7o h GLN 16 CO -0.06 1.17 -0.12 -0.92 -0.67 0.00 0.00 178.83 178.22 2k7o h TYR 17 N 0.71 0.38 0.00 2.96 3.20 -0.51 -2.63 116.97 121.08 2k7o h TYR 17 Ca 0.04 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.80 2k7o h TYR 17 Cb 1.05 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.24 2k7o h TYR 17 CO 0.07 0.71 0.00 0.45 -1.64 0.00 0.00 178.16 177.75 2k7o n SER 18 N -4.59 0.71 -0.91 -2.11 2.88 0.43 -2.21 113.62 107.82 2k7o n SER 18 Ca -0.06 0.66 0.05 0.00 -1.33 0.00 0.00 58.87 58.19 2k7o n SER 18 Cb 0.35 -0.82 0.18 0.00 -0.75 0.00 0.00 64.21 63.17 2k7o n SER 18 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k7o n GLY 19 N 0.13 1.40 0.23 0.46 0.00 0.81 -3.33 105.19 104.88 2k7o n GLY 19 Ca 0.02 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 2.10 0.82 -0.14 1.61 2.47 -1.43 -3.20 114.38 116.61 2k7o h ARG 20 Ca 0.00 -0.62 0.00 0.00 -1.26 0.00 0.00 59.98 58.10 2k7o h ARG 20 Cb 0.82 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.26 2k7o h ARG 20 CO 0.11 1.23 0.00 0.39 0.56 0.00 0.00 179.97 182.26 2k7o n GLU 21 N -3.97 1.95 -0.96 0.04 -0.58 -1.26 -4.93 120.64 110.94 2k7o n GLU 21 Ca -0.07 -1.84 0.00 0.00 -0.42 0.00 0.00 57.16 54.84 2k7o n GLU 21 Cb 0.70 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.17 2k7o n GLU 21 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k7o n GLY 22 N 1.15 0.84 3.45 0.62 0.00 -1.21 -4.95 105.19 105.09 2k7o n GLY 22 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.69 6.88 0.72 1.61 1.01 -1.21 -4.97 116.67 118.01 2k7o s ASP 23 Ca 0.00 -2.59 -0.11 0.00 0.71 0.00 0.00 52.55 50.56 2k7o s ASP 23 Cb 0.00 -2.39 0.02 0.00 1.01 0.00 0.00 42.92 41.56 2k7o s ASP 23 CO 0.00 -0.87 1.07 -0.54 0.21 0.00 0.00 175.17 175.04 2k7o s LYS 24 N 1.96 2.75 -0.93 8.23 1.02 -1.26 -3.45 119.74 128.06 2k7o s LYS 24 Ca 0.37 0.80 -0.07 0.00 0.02 0.00 0.00 55.97 57.10 2k7o s LYS 24 Cb -0.04 -1.98 0.06 0.00 -0.52 0.00 0.00 37.83 35.35 2k7o s LYS 24 CO -0.04 -1.20 0.27 0.72 -0.92 0.00 0.00 175.35 174.18 2k7o n HIS 25 N -3.17 -1.69 -3.09 3.18 8.25 -1.26 -4.84 115.22 112.59 2k7o n HIS 25 Ca 0.07 0.28 0.04 0.00 -0.26 0.00 0.00 57.72 57.85 2k7o n HIS 25 Cb 0.55 -2.11 -0.00 0.00 1.12 0.00 0.00 29.99 29.54 2k7o n HIS 25 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2k7o s LYS 26 N -5.73 0.32 -0.18 -0.41 2.20 -1.22 -4.74 119.74 109.99 2k7o s LYS 26 Ca 0.28 0.17 -0.13 0.00 -0.36 0.00 0.00 55.97 55.93 2k7o s LYS 26 Cb -0.15 0.11 -0.05 0.00 -1.51 0.00 0.00 37.83 36.23 2k7o s LYS 26 CO 0.34 -0.56 0.28 -0.51 -0.36 0.00 0.00 175.35 174.54 2k7o s LEU 27 N 2.65 4.21 0.44 5.43 1.02 -1.19 -4.77 118.68 126.48 2k7o s LEU 27 Ca 0.20 0.44 -0.08 0.00 0.02 0.00 0.00 54.13 54.71 2k7o s LEU 27 Cb -0.03 -2.34 -0.05 0.00 0.02 0.00 0.00 46.19 43.79 2k7o s LEU 27 CO -0.21 0.08 0.78 -0.75 0.02 0.00 0.00 176.35 176.26 2k7o s LYS 28 N 0.64 3.65 0.19 1.70 2.20 -1.26 -2.50 119.74 124.35 2k7o s LYS 28 Ca 0.15 0.32 -0.12 0.00 -0.36 0.00 0.00 55.97 55.96 2k7o s LYS 28 Cb -0.13 -2.39 0.19 0.00 -1.51 0.00 0.00 37.83 33.99 2k7o s LYS 28 CO 0.04 -0.13 1.75 -0.22 -0.36 0.00 0.00 175.35 176.43 2k7o h LYS 29 N 0.72 0.37 -0.75 4.03 3.64 -1.98 1.24 116.57 123.82 2k7o h LYS 29 Ca -0.47 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 58.89 2k7o h LYS 29 Cb 1.20 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.90 2k7o h LYS 29 CO 0.63 0.24 0.49 0.66 -2.27 0.00 0.00 179.45 179.20 2k7o h SER 30 N 0.38 0.87 -0.38 4.20 4.64 -1.99 0.30 113.55 121.58 2k7o h SER 30 Ca 0.25 -0.03 -0.16 0.00 -0.47 0.00 0.00 61.79 61.38 2k7o h SER 30 Cb 0.26 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 2k7o h SER 30 CO -0.25 0.64 -0.41 -0.08 -0.87 0.00 0.00 176.83 175.86 2k7o h GLU 31 N 1.02 0.94 -0.34 4.77 4.81 -1.27 -1.89 114.58 122.63 2k7o h GLU 31 Ca 0.27 -0.51 -0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2k7o h GLU 31 Cb -0.11 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2k7o h GLU 31 CO -0.06 1.16 0.20 1.25 -0.73 0.00 0.00 179.01 180.83 2k7o h LEU 32 N 0.76 0.41 -0.85 1.64 5.85 0.29 -1.72 115.31 121.69 2k7o h LEU 32 Ca 0.06 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k7o h LEU 32 Cb 1.00 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.89 2k7o h LEU 32 CO 0.10 0.35 0.51 0.50 -0.34 0.00 0.00 178.44 179.56 2k7o h LYS 33 N 0.43 1.15 -0.55 1.25 3.64 -0.36 -2.21 116.57 119.93 2k7o h LYS 33 Ca 0.12 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2k7o h LYS 33 Cb 0.02 -0.24 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 2k7o h LYS 33 CO -0.02 0.81 0.36 1.49 -2.27 0.00 0.00 179.45 179.83 2k7o h GLU 34 N 1.17 0.72 -0.32 1.90 4.81 -0.86 -2.29 114.58 119.71 2k7o h GLU 34 Ca 0.30 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 2k7o h GLU 34 Cb -0.04 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 2k7o h GLU 34 CO -0.06 0.48 0.21 1.25 -0.73 0.00 0.00 179.01 180.16 2k7o h LEU 35 N 0.75 0.37 -0.03 1.64 5.85 -0.84 -2.14 115.31 120.90 2k7o h LEU 35 Ca 0.20 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2k7o h LEU 35 Cb -0.08 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 2k7o h LEU 35 CO -0.05 0.26 0.02 0.40 -0.34 0.00 0.00 178.44 178.74 2k7o h ILE 36 N 0.43 1.01 -1.01 4.05 2.04 -1.09 0.54 117.51 123.48 2k7o h ILE 36 Ca 0.12 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.96 2k7o h ILE 36 Cb -0.05 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 2k7o h ILE 36 CO -0.03 0.01 0.67 -1.13 0.00 0.00 0.00 178.15 177.67 2k7o h ASN 37 N 0.03 1.16 0.01 1.72 -1.24 -1.33 -0.93 115.58 114.99 2k7o h ASN 37 Ca 0.01 -0.03 -0.07 0.00 0.71 0.00 0.00 56.30 56.92 2k7o h ASN 37 Cb 0.00 -0.29 0.01 0.00 0.73 0.00 0.00 38.32 38.77 2k7o h ASN 37 CO -0.00 0.84 -0.28 0.78 -1.29 0.00 0.00 177.43 177.48 2k7o h ASN 38 N 1.37 0.23 0.00 1.15 2.35 -1.08 -3.43 115.58 116.18 2k7o h ASN 38 Ca 0.37 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 2k7o h ASN 38 Cb -0.16 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.14 2k7o h ASN 38 CO -0.08 1.01 0.00 -0.62 -1.65 0.00 0.00 177.43 176.09 2k7o n GLU 39 N -4.48 0.00 -3.22 0.81 -0.58 0.18 -4.86 120.64 108.50 2k7o n GLU 39 Ca -0.10 0.34 -0.40 0.00 -0.42 0.00 0.00 57.16 56.58 2k7o n GLU 39 Cb 0.53 -0.82 -0.07 0.00 -0.57 0.00 0.00 31.44 30.51 2k7o n GLU 39 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2k7o s LEU 40 N -3.75 4.08 0.00 -4.62 1.43 -0.36 -4.83 118.68 110.63 2k7o s LEU 40 Ca 0.00 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 2k7o s LEU 40 Cb 0.00 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.52 2k7o s LEU 40 CO 0.00 -0.27 0.00 -1.20 0.23 0.00 0.00 176.35 175.11 2k7o n SER 41 N 5.38 0.13 0.23 2.29 7.64 -1.24 -4.19 113.62 123.86 2k7o n SER 41 Ca -0.04 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.97 2k7o n SER 41 Cb 0.50 0.00 0.28 0.00 -1.01 0.00 0.00 64.21 63.98 2k7o n SER 41 CO 0.00 0.00 0.00 0.45 -3.01 0.00 0.00 175.04 172.48 2k7o h HIS 42 N 0.00 0.00 0.00 1.43 3.86 -1.96 -3.21 115.15 115.27 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 0.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.70 2k7o h HIS 42 CO 0.00 0.00 -1.73 1.19 0.86 0.00 0.00 177.93 178.25 2k7o n PHE 43 N -3.10 0.03 -3.65 2.45 3.01 -1.26 -4.95 117.46 109.98 2k7o n PHE 43 Ca 0.03 0.01 -0.11 0.00 1.01 0.00 0.00 57.45 58.39 2k7o n PHE 43 Cb 0.48 -0.40 -0.08 0.00 -0.01 0.00 0.00 39.48 39.48 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 -4.18 -0.60 0.00 4.37 2.96 -1.21 -5.14 118.68 114.88 2k7o s LEU 44 Ca -0.04 1.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.20 2k7o s LEU 44 Cb 0.14 2.18 0.00 0.00 0.50 0.00 0.00 46.19 49.02 2k7o s LEU 44 CO 0.90 -0.23 0.00 1.21 -1.32 0.00 0.00 176.35 176.91 2k7o n GLU 45 N 3.46 0.00 -2.43 1.98 2.13 -1.26 -3.69 120.64 120.83 2k7o n GLU 45 Ca -0.17 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.51 2k7o n GLU 45 Cb 0.57 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.27 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 -2.09 -3.33 5.31 -0.58 -1.26 -4.91 120.64 113.77 2k7o n GLU 46 Ca 0.00 0.70 -0.41 0.00 -0.42 0.00 0.00 57.16 57.03 2k7o n GLU 46 Cb 0.00 -5.32 -0.09 0.00 -0.57 0.00 0.00 31.44 25.46 2k7o n GLU 46 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2k7o s ILE 47 N -2.72 5.11 0.00 -3.67 1.01 -1.26 -4.98 121.20 114.68 2k7o s ILE 47 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.86 2k7o s ILE 47 Cb 0.00 -3.87 0.00 0.00 0.01 0.00 0.00 42.46 38.60 2k7o s ILE 47 CO 0.00 -0.12 0.00 0.29 0.00 0.00 0.00 174.94 175.11 2k7o n LYS 48 N 5.52 0.00 -3.47 2.79 5.02 -1.26 -5.02 118.16 121.73 2k7o n LYS 48 Ca -0.07 0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.04 2k7o n LYS 48 Cb 0.49 -0.27 -0.01 0.00 -0.02 0.00 0.00 35.03 35.22 2k7o n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2k7o s GLU 49 N -0.05 2.90 0.31 1.97 2.02 -1.26 -5.00 118.70 119.59 2k7o s GLU 49 Ca 0.00 -1.18 -0.01 0.00 0.02 0.00 0.00 54.97 53.80 2k7o s GLU 49 Cb 0.00 -2.68 0.48 0.00 0.10 0.00 0.00 34.13 32.03 2k7o s GLU 49 CO 0.00 -0.02 1.98 0.37 0.02 0.00 0.00 175.26 177.61 2k7o h GLN 50 N 0.95 1.04 -1.18 1.61 4.15 -2.00 -1.18 115.11 118.49 2k7o h GLN 50 Ca -0.44 -0.06 0.34 0.00 0.77 0.00 0.00 58.65 59.26 2k7o h GLN 50 Cb 1.26 -0.23 -0.05 0.00 0.21 0.00 0.00 27.48 28.66 2k7o h GLN 50 CO 0.53 0.69 0.84 0.93 -1.93 0.00 0.00 178.83 179.89 2k7o h GLU 51 N 1.07 0.04 -0.16 1.69 3.07 -2.00 1.57 114.58 119.86 2k7o h GLU 51 Ca 0.29 -0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 58.98 2k7o h GLU 51 Cb -0.12 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 2k7o h GLU 51 CO -0.06 0.03 -0.58 0.28 -1.40 0.00 0.00 179.01 177.27 2k7o h VAL 52 N 0.04 1.33 -0.56 3.13 2.07 -1.60 -2.86 116.25 117.80 2k7o h VAL 52 Ca 0.58 -1.86 -0.11 0.00 0.82 0.00 0.00 66.70 66.13 2k7o h VAL 52 Cb 2.21 1.83 -0.02 0.00 -1.52 0.00 0.00 31.29 33.79 2k7o h VAL 52 CO -0.04 0.57 -0.09 0.58 0.02 0.00 0.00 177.57 178.61 2k7o h VAL 53 N 0.40 1.27 -0.97 2.57 2.07 0.21 -2.75 116.25 119.05 2k7o h VAL 53 Ca 0.00 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.28 2k7o h VAL 53 Cb 1.13 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 2k7o h VAL 53 CO 0.11 0.45 0.64 0.44 0.02 0.00 0.00 177.57 179.23 2k7o h ASP 54 N 0.94 1.11 -0.16 0.57 3.32 -0.97 0.24 116.42 121.46 2k7o h ASP 54 Ca 0.15 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.17 2k7o h ASP 54 Cb 0.66 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2k7o h ASP 54 CO 0.05 0.80 0.11 0.50 -1.72 0.00 0.00 179.24 178.97 2k7o h LYS 55 N 1.31 0.21 -0.43 3.56 3.64 -1.27 0.20 116.57 123.80 2k7o h LYS 55 Ca 0.36 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.61 2k7o h LYS 55 Cb -0.14 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 2k7o h LYS 55 CO -0.08 0.14 -0.16 0.28 -2.27 0.00 0.00 179.45 177.36 2k7o h VAL 56 N 0.22 1.28 -0.60 2.00 2.07 -1.22 -3.02 116.25 116.97 2k7o h VAL 56 Ca 0.06 -1.30 -0.07 0.00 0.82 0.00 0.00 66.70 66.22 2k7o h VAL 56 Cb -0.02 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2k7o h VAL 56 CO -0.01 0.44 0.12 -0.03 0.02 0.00 0.00 177.57 178.10 2k7o h MET 57 N 0.69 0.98 -0.90 1.57 1.85 -0.25 -1.87 114.93 117.01 2k7o h MET 57 Ca 0.10 -0.25 0.01 0.00 -0.61 0.00 0.00 59.70 58.94 2k7o h MET 57 Cb 0.72 -0.12 -0.04 0.00 0.43 0.00 0.00 31.60 32.58 2k7o h MET 57 CO 0.05 0.92 0.58 1.49 -0.40 0.00 0.00 176.91 179.55 2k7o h GLU 58 N 0.89 1.20 -0.37 0.39 4.81 -0.56 0.18 114.58 121.12 2k7o h GLU 58 Ca 0.18 -0.08 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 2k7o h GLU 58 Cb 0.40 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 2k7o h GLU 58 CO 0.01 0.81 -0.35 1.15 -0.73 0.00 0.00 179.01 179.90 2k7o h THR 59 N 1.23 1.28 -0.37 0.32 2.02 -1.39 -3.13 112.91 112.86 2k7o h THR 59 Ca 0.33 -1.51 -0.17 0.00 0.77 0.00 0.00 66.41 65.83 2k7o h THR 59 Cb -0.12 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2k7o h THR 59 CO -0.07 0.50 -0.41 -0.07 0.37 0.00 0.00 175.52 175.84 2k7o h LEU 60 N 0.70 1.00 -8.59 2.58 3.38 -0.74 -3.40 115.31 110.24 2k7o h LEU 60 Ca 0.07 -0.47 -0.50 0.00 0.09 0.00 0.00 57.88 57.06 2k7o h LEU 60 Cb 0.91 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2k7o h LEU 60 CO 0.08 1.28 1.42 -1.81 0.09 0.00 0.00 178.44 179.50 2k7o s ASP 61 N -6.86 5.16 0.19 -0.43 1.01 0.56 -4.81 116.67 111.48 2k7o s ASP 61 Ca -0.11 0.71 -0.09 0.00 0.71 0.00 0.00 52.55 53.77 2k7o s ASP 61 Cb 0.11 -2.52 0.09 0.00 1.01 0.00 0.00 42.92 41.61 2k7o s ASP 61 CO 0.88 -2.40 1.67 -0.08 0.21 0.00 0.00 175.17 175.46 2k7o h GLU 62 N 15.82 1.11 0.00 8.23 4.81 -1.84 -2.87 114.58 139.84 2k7o h GLU 62 Ca -0.27 -0.32 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 2k7o h GLU 62 Cb 1.19 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2k7o h GLU 62 CO 1.17 1.04 -0.55 -0.40 -0.73 0.00 0.00 179.01 179.54 2k7o n ASP 63 N -4.19 0.54 -1.39 1.04 5.75 -1.26 -4.94 116.55 112.10 2k7o n ASP 63 Ca 0.04 -0.17 -0.13 0.00 -0.01 0.00 0.00 54.79 54.52 2k7o n ASP 63 Cb 0.32 0.26 -0.01 0.00 -1.03 0.00 0.00 41.12 40.66 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 1.46 -0.01 0.00 6.12 0.00 -1.08 -4.87 105.19 106.82 2k7o n GLY 64 Ca 0.05 -0.37 0.14 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 -0.36 0.00 0.00 1.61 5.75 -1.26 -4.86 116.55 117.43 2k7o n ASP 65 Ca -0.15 -0.80 0.00 0.00 -0.01 0.00 0.00 54.79 53.83 2k7o n ASP 65 Cb 0.59 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 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 0.79 1.57 3.30 6.12 0.00 -1.26 -4.99 105.19 110.71 2k7o n GLY 66 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.01 1.24 -0.45 1.61 2.02 -1.26 -4.63 118.70 117.22 2k7o s GLU 67 Ca 0.00 -1.60 -0.11 0.00 0.02 0.00 0.00 54.97 53.28 2k7o s GLU 67 Cb 0.00 -0.60 0.09 0.00 0.10 0.00 0.00 34.13 33.72 2k7o s GLU 67 CO 0.00 -0.05 0.33 0.00 0.02 0.00 0.00 175.26 175.56 2k7o s ASP 69 N 2.47 1.52 0.09 0.00 -1.08 -1.26 -3.19 116.67 115.22 2k7o s ASP 69 Ca 0.04 0.65 -0.23 0.00 -0.52 0.00 0.00 52.55 52.49 2k7o s ASP 69 Cb -0.25 -0.93 -0.15 0.00 -1.46 0.00 0.00 42.92 40.13 2k7o s ASP 69 CO 0.03 -3.76 1.74 0.15 0.52 0.00 0.00 175.17 173.85 2k7o h PHE 70 N -2.33 0.01 0.23 -5.34 3.04 -1.98 0.72 116.94 111.28 2k7o h PHE 70 Ca -0.46 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.48 2k7o h PHE 70 Cb 1.29 -0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.80 2k7o h PHE 70 CO -1.62 0.01 -0.13 1.96 -2.02 0.00 0.00 178.31 176.51 2k7o h GLN 71 N 0.00 -0.33 -0.59 1.11 4.20 -2.00 -1.40 115.11 116.10 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 0.00 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.83 2k7o h GLN 71 CO -0.00 -0.22 0.39 0.93 -0.67 0.00 0.00 178.83 179.26 2k7o h GLU 72 N -0.35 0.78 -0.87 1.46 5.08 -1.88 -0.20 114.58 118.60 2k7o h GLU 72 Ca -0.03 -0.05 0.21 0.00 -1.00 0.00 0.00 59.36 58.50 2k7o h GLU 72 Cb 0.28 -0.18 -0.12 0.00 0.50 0.00 0.00 28.75 29.23 2k7o h GLU 72 CO 0.03 0.52 0.35 0.35 -1.00 0.00 0.00 179.01 179.26 2k7o h PHE 73 N 0.80 0.58 -0.38 4.33 3.57 0.98 0.93 116.94 127.75 2k7o h PHE 73 Ca 0.22 0.04 -0.16 0.00 3.53 0.00 0.00 57.97 61.60 2k7o h PHE 73 Cb -0.09 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 2k7o h PHE 73 CO -0.03 -0.06 -0.38 1.98 -2.23 0.00 0.00 178.31 177.58 2k7o h MET 74 N 0.37 0.92 0.00 1.11 4.05 -0.20 -2.72 114.93 118.46 2k7o h MET 74 Ca 0.54 -0.48 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 2k7o h MET 74 Cb 1.02 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 2k7o h MET 74 CO -0.54 1.13 0.10 0.00 0.23 0.00 0.00 176.91 177.84 2k7o n ALA 75 N -2.54 0.90 0.00 0.39 0.00 0.31 0.64 120.51 120.22 2k7o n ALA 75 Ca -0.02 0.17 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 2k7o n ALA 75 Cb 0.54 -1.14 -0.11 0.00 0.00 0.00 0.00 19.45 18.75 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 -2.18 0.78 -0.16 0.00 -0.00 -0.59 -3.18 117.46 112.13 2k7o n PHE 76 Ca -0.01 0.26 -0.10 0.00 -0.00 0.00 0.00 57.45 57.60 2k7o n PHE 76 Cb 0.13 -1.04 -0.00 0.00 -0.00 0.00 0.00 39.48 38.56 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 0.27 -2.57 116.25 115.14 2k7o h VAL 77 Ca -0.22 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 2k7o h VAL 77 Cb 1.68 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2k7o h VAL 77 CO 0.04 0.40 -0.03 -1.28 0.02 0.00 0.00 177.57 176.72 2k7o h SER 78 N 0.72 0.05 -0.94 0.57 0.87 -1.51 -2.94 113.55 110.37 2k7o h SER 78 Ca 0.13 -0.57 0.20 0.00 -1.23 0.00 0.00 61.79 60.31 2k7o h SER 78 Cb 0.59 -0.02 -0.11 0.00 -0.44 0.00 0.00 62.40 62.42 2k7o h SER 78 CO 0.04 0.62 0.51 -0.03 -0.53 0.00 0.00 176.83 177.43 2k7o h MET 79 N -0.51 0.57 0.00 2.24 -1.53 -1.53 1.70 114.93 115.87 2k7o h MET 79 Ca 0.00 -0.03 -0.04 0.00 -3.44 0.00 0.00 59.70 56.19 2k7o h MET 79 Cb 0.61 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.52 2k7o h MET 79 CO 0.01 0.38 -0.20 0.28 0.14 0.00 0.00 176.91 177.52 2k7o h VAL 80 N 0.59 0.73 0.00 -5.77 2.07 -1.45 0.75 116.25 113.17 2k7o h VAL 80 Ca 0.56 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2k7o h VAL 80 Cb 0.96 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2k7o h VAL 80 CO -0.44 0.19 -0.03 0.74 0.02 0.00 0.00 177.57 178.05 2k7o h THR 81 N 0.00 1.73 0.00 2.57 2.02 0.24 -3.22 112.91 116.25 2k7o h THR 81 Ca -0.00 -2.20 0.00 0.00 0.77 0.00 0.00 66.41 64.98 2k7o h THR 81 Cb 0.48 3.23 0.00 0.00 -1.74 0.00 0.00 68.15 70.12 2k7o h THR 81 CO 0.03 0.57 0.00 0.71 0.37 0.00 0.00 175.52 177.20 2k7o h THR 82 N -0.90 0.00 -0.13 3.16 1.35 0.33 -3.07 112.91 113.65 2k7o h THR 82 Ca -0.01 -0.28 -0.12 0.00 -0.55 0.00 0.00 66.41 65.45 2k7o h THR 82 Cb 0.96 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2k7o h THR 82 CO 0.01 0.00 -0.39 0.00 -0.25 0.00 0.00 175.52 174.89 2k7o h ALA 83 N 2.27 0.22 -2.31 6.62 0.00 0.49 -3.45 119.26 123.10 2k7o h ALA 83 Ca 0.00 -0.46 -0.52 0.00 0.00 0.00 0.00 54.91 53.94 2k7o h ALA 83 Cb 0.42 -0.02 0.13 0.00 0.00 0.00 0.00 17.79 18.32 2k7o h ALA 83 CO 0.00 0.31 0.31 0.00 0.00 0.00 0.00 179.25 179.88 2k7o s HIS 85 N -2.89 2.67 0.25 0.00 3.76 -1.26 -4.93 115.29 112.89 2k7o s HIS 85 Ca 0.61 1.53 -0.06 0.00 -0.15 0.00 0.00 55.06 56.99 2k7o s HIS 85 Cb -0.17 -3.02 0.26 0.00 1.11 0.00 0.00 32.58 30.76 2k7o s HIS 85 CO 0.56 -1.70 1.93 0.93 -0.85 0.00 0.00 174.74 175.61 2k7o h GLU 86 N -1.06 1.33 -6.85 1.40 5.08 -1.94 -3.42 114.58 109.11 2k7o h GLU 86 Ca -0.44 -0.08 -0.52 0.00 -1.00 0.00 0.00 59.36 57.32 2k7o h GLU 86 Cb 1.23 -0.30 0.06 0.00 0.50 0.00 0.00 28.75 30.23 2k7o h GLU 86 CO 0.52 0.88 0.62 -0.06 -1.00 0.00 0.00 179.01 179.97 2k7o s PHE 87 N -6.11 3.14 0.40 4.33 0.08 -1.26 -4.99 117.98 113.57 2k7o s PHE 87 Ca -0.13 1.44 -0.23 0.00 0.12 0.00 0.00 56.93 58.13 2k7o s PHE 87 Cb 0.18 -3.62 -0.10 0.00 -0.57 0.00 0.00 43.02 38.92 2k7o s PHE 87 CO 0.82 -1.67 1.00 -0.59 -0.10 0.00 0.00 175.22 174.68 2k7o s PHE 88 N -1.04 3.35 -0.46 0.36 -0.12 -1.26 -5.02 117.98 113.78 2k7o s PHE 88 Ca 0.49 1.66 -0.10 0.00 -0.05 0.00 0.00 56.93 58.93 2k7o s PHE 88 Cb -0.38 -3.01 0.10 0.00 -0.63 0.00 0.00 43.02 39.10 2k7o s PHE 88 CO 0.50 -0.33 0.34 -1.21 -0.05 0.00 0.00 175.22 174.47 2k7o s GLU 89 N -2.63 2.60 0.12 1.99 2.02 -1.26 -4.93 118.70 116.61 2k7o s GLU 89 Ca 0.58 -1.64 -0.12 0.00 0.02 0.00 0.00 54.97 53.81 2k7o s GLU 89 Cb -0.18 -3.93 -0.08 0.00 0.10 0.00 0.00 34.13 30.04 2k7o s GLU 89 CO 0.22 -1.12 1.41 1.25 0.02 0.00 0.00 175.26 177.05 2k7o h HIS 90 N 8.50 1.09 0.00 1.61 -0.00 -2.06 -3.55 115.15 120.75 2k7o h HIS 90 Ca -0.23 -0.38 0.00 0.00 -0.00 0.00 0.00 60.37 59.76 2k7o h HIS 90 Cb 1.08 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 2k7o h HIS 90 CO 0.64 1.21 0.00 -1.91 -0.00 0.00 0.00 177.93 177.87