#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 0.06 -0.12 4.33 5.08 -2.07 -2.43 114.58 119.43 2k7o h GLU 2 Ca 0.00 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2k7o h GLU 2 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2k7o h GLU 2 CO 0.00 0.36 -0.44 -0.07 -1.00 0.00 0.00 179.01 177.86 2k7o h LEU 3 N 0.06 0.31 -0.93 1.33 3.38 -2.06 -2.92 115.31 114.49 2k7o h LEU 3 Ca 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 2k7o h LEU 3 Cb 0.57 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 2k7o h LEU 3 CO 0.04 0.72 0.56 -0.08 0.09 0.00 0.00 178.44 179.77 2k7o h GLU 4 N 0.24 1.26 -0.73 1.13 4.81 -1.88 -2.06 114.58 117.36 2k7o h GLU 4 Ca 0.02 -0.12 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 2k7o h GLU 4 Cb 0.88 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 2k7o h GLU 4 CO 0.07 0.88 0.23 -0.22 -0.73 0.00 0.00 179.01 179.24 2k7o h LYS 5 N 1.28 1.13 -0.02 1.92 3.64 -1.49 0.78 116.57 123.82 2k7o h LYS 5 Ca 0.33 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2k7o h LYS 5 Cb -0.05 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 2k7o h LYS 5 CO -0.06 0.96 0.01 0.00 -2.27 0.00 0.00 179.45 178.09 2k7o h ALA 6 N 1.11 0.02 0.08 5.00 0.00 -1.34 0.86 119.26 124.99 2k7o h ALA 6 Ca 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2k7o h ALA 6 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k7o h ALA 6 CO -0.01 -0.47 -0.04 1.98 0.00 0.00 0.00 179.25 180.72 2k7o h MET 7 N 0.00 -0.10 -1.00 0.00 1.85 -1.19 -1.67 114.93 112.83 2k7o h MET 7 Ca 0.01 0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.12 2k7o h MET 7 Cb 0.02 0.02 -0.05 0.00 0.43 0.00 0.00 31.60 32.02 2k7o h MET 7 CO -0.00 0.01 0.66 0.28 -0.40 0.00 0.00 176.91 177.45 2k7o h VAL 8 N -0.18 1.24 -0.74 -5.77 2.07 -0.63 -1.81 116.25 110.44 2k7o h VAL 8 Ca -0.01 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.06 2k7o h VAL 8 Cb 0.15 -0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 29.67 2k7o h VAL 8 CO 0.02 0.24 0.49 0.00 0.02 0.00 0.00 177.57 178.34 2k7o h ALA 9 N 1.37 0.94 -0.02 1.67 0.00 0.11 -1.37 119.26 121.96 2k7o h ALA 9 Ca 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2k7o h ALA 9 Cb -0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.37 2k7o h ALA 9 CO -0.09 0.35 0.02 -0.07 0.00 0.00 0.00 179.25 179.46 2k7o h LEU 10 N 1.00 0.03 -0.00 0.00 3.38 -0.47 0.17 115.31 119.41 2k7o h LEU 10 Ca 0.27 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 2k7o h LEU 10 Cb -0.11 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 2k7o h LEU 10 CO -0.06 0.03 0.00 0.40 0.09 0.00 0.00 178.44 178.90 2k7o h ILE 11 N 0.02 1.00 -0.98 1.22 2.04 -1.19 0.53 117.51 120.15 2k7o h ILE 11 Ca 0.01 -0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 2k7o h ILE 11 Cb 0.01 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 2k7o h ILE 11 CO -0.00 0.00 0.65 -0.78 0.00 0.00 0.00 178.15 178.02 2k7o h ASP 12 N 0.00 1.13 -0.28 1.72 1.82 -1.11 -1.19 116.42 118.50 2k7o h ASP 12 Ca 0.00 -0.03 -0.14 0.00 -0.39 0.00 0.00 57.03 56.47 2k7o h ASP 12 Cb 0.00 -0.28 -0.00 0.00 0.68 0.00 0.00 39.33 39.73 2k7o h ASP 12 CO -0.00 0.82 -0.35 0.58 -1.61 0.00 0.00 179.24 178.68 2k7o h VAL 13 N 1.33 1.30 0.53 2.25 2.07 -0.09 -2.83 116.25 120.82 2k7o h VAL 13 Ca 0.36 -1.54 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 2k7o h VAL 13 Cb -0.15 1.61 0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2k7o h VAL 13 CO -0.08 0.49 -0.26 0.15 0.02 0.00 0.00 177.57 177.90 2k7o h PHE 14 N 0.49 -0.66 -1.00 1.57 3.04 0.57 -2.07 116.94 118.87 2k7o h PHE 14 Ca 0.04 -0.02 0.02 0.00 3.98 0.00 0.00 57.97 61.99 2k7o h PHE 14 Cb 0.94 0.22 -0.05 0.00 2.56 0.00 0.00 35.95 39.61 2k7o h PHE 14 CO 0.07 -0.37 0.66 1.25 -2.02 0.00 0.00 178.31 177.91 2k7o h HIS 15 N -0.82 1.25 -0.30 0.41 2.76 -1.32 0.89 115.15 118.02 2k7o h HIS 15 Ca -0.07 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.00 2k7o h HIS 15 Cb 0.59 -0.42 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 2k7o h HIS 15 CO -0.02 0.76 -0.32 1.96 -1.30 0.00 0.00 177.93 179.01 2k7o h GLN 16 N 1.33 0.66 0.15 5.26 1.08 -1.49 -1.51 115.11 120.58 2k7o h GLN 16 Ca 0.38 -0.30 -0.28 0.00 -1.45 0.00 0.00 58.65 57.01 2k7o h GLN 16 Cb -0.09 -0.01 0.01 0.00 -0.05 0.00 0.00 27.48 27.33 2k7o h GLN 16 CO -0.10 0.89 -1.34 1.88 -0.95 0.00 0.00 178.83 179.21 2k7o h TYR 17 N 0.56 0.57 0.00 2.96 0.05 -0.77 -3.32 116.97 117.01 2k7o h TYR 17 Ca 0.06 -0.42 -0.02 0.00 0.05 0.00 0.00 58.73 58.41 2k7o h TYR 17 Cb 0.82 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.54 2k7o h TYR 17 CO 0.04 1.52 -0.09 1.03 -1.05 0.00 0.00 178.16 179.61 2k7o h SER 18 N -0.20 0.00 -0.16 3.88 0.87 0.74 -2.71 113.55 115.96 2k7o h SER 18 Ca -0.27 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.27 2k7o h SER 18 Cb 1.83 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.78 2k7o h SER 18 CO 0.12 0.09 0.02 0.61 -0.53 0.00 0.00 176.83 177.14 2k7o n GLY 19 N -0.00 1.97 0.08 5.77 0.00 -0.57 -4.02 105.19 108.42 2k7o n GLY 19 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 0.89 0.00 -3.79 1.61 2.43 -1.64 -3.49 114.38 110.38 2k7o h ARG 20 Ca 0.02 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 2k7o h ARG 20 Cb 0.95 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.36 2k7o h ARG 20 CO 0.14 0.63 -0.35 -1.21 -1.51 0.00 0.00 179.97 177.68 2k7o s GLU 21 N -2.22 0.89 2.01 0.20 2.02 -1.26 -5.11 118.70 115.23 2k7o s GLU 21 Ca -0.20 -0.97 0.00 0.00 0.02 0.00 0.00 54.97 53.82 2k7o s GLU 21 Cb 0.03 0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.61 2k7o s GLU 21 CO 0.45 -0.29 0.00 0.41 0.02 0.00 0.00 175.26 175.85 2k7o n GLY 22 N -0.09 -1.32 3.86 -1.39 0.00 -1.26 -4.83 105.19 100.15 2k7o n GLY 22 Ca -0.14 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.25 2k7o n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k7o s ASP 23 N -4.00 4.82 0.24 1.61 -1.08 -1.25 -4.95 116.67 112.06 2k7o s ASP 23 Ca 0.00 1.10 -0.06 0.00 -0.52 0.00 0.00 52.55 53.06 2k7o s ASP 23 Cb 0.00 -1.80 0.24 0.00 -1.46 0.00 0.00 42.92 39.90 2k7o s ASP 23 CO 0.00 -1.74 1.90 0.11 0.52 0.00 0.00 175.17 175.96 2k7o h LYS 24 N -0.93 1.29 -0.04 4.34 1.57 -1.89 -3.24 116.57 117.67 2k7o h LYS 24 Ca -0.46 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.20 2k7o h LYS 24 Cb 1.28 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2k7o h LYS 24 CO 0.63 0.90 0.00 0.72 -0.57 0.00 0.00 179.45 181.13 2k7o n HIS 25 N -4.36 0.04 -4.10 -1.35 8.25 -1.26 -4.22 115.22 108.23 2k7o n HIS 25 Ca 0.11 -0.05 -0.35 0.00 -0.26 0.00 0.00 57.72 57.17 2k7o n HIS 25 Cb 0.05 -0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.04 2k7o n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2k7o s LYS 26 N -0.84 3.76 -0.19 -0.41 1.02 -1.22 -4.05 119.74 117.81 2k7o s LYS 26 Ca 0.12 -0.45 -0.10 0.00 0.02 0.00 0.00 55.97 55.56 2k7o s LYS 26 Cb 0.08 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.23 2k7o s LYS 26 CO 0.13 0.13 0.14 -0.51 -0.92 0.00 0.00 175.35 174.32 2k7o s LEU 27 N 0.70 4.24 0.48 3.17 1.43 -1.19 -3.85 118.68 123.65 2k7o s LEU 27 Ca 0.01 0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.41 2k7o s LEU 27 Cb -0.14 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 43.98 2k7o s LEU 27 CO 0.02 0.21 0.69 -0.54 0.23 0.00 0.00 176.35 176.96 2k7o s LYS 28 N 0.17 2.88 0.11 1.70 3.01 -1.26 -2.37 119.74 123.97 2k7o s LYS 28 Ca 0.10 -0.65 -0.21 0.00 -1.01 0.00 0.00 55.97 54.19 2k7o s LYS 28 Cb -0.11 -2.56 -0.09 0.00 -1.01 0.00 0.00 37.83 34.06 2k7o s LYS 28 CO -0.01 -0.40 1.74 -0.22 0.51 0.00 0.00 175.35 176.97 2k7o h LYS 29 N 0.33 0.08 -0.98 1.68 3.64 -1.98 0.94 116.57 120.28 2k7o h LYS 29 Ca -0.44 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2k7o h LYS 29 Cb 1.27 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 2k7o h LYS 29 CO 0.55 0.06 0.63 0.77 -2.27 0.00 0.00 179.45 179.18 2k7o h SER 30 N 0.09 1.14 -0.15 4.20 0.02 -1.99 -0.09 113.55 116.77 2k7o h SER 30 Ca 0.05 -0.04 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 2k7o h SER 30 Cb 0.04 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 2k7o h SER 30 CO -0.06 0.84 -0.47 -0.08 -1.14 0.00 0.00 176.83 175.93 2k7o h GLU 31 N 1.33 0.72 -0.47 3.45 4.81 -1.81 -2.82 114.58 119.79 2k7o h GLU 31 Ca 0.36 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2k7o h GLU 31 Cb -0.12 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 2k7o h GLU 31 CO -0.07 1.03 0.27 1.25 -0.73 0.00 0.00 179.01 180.75 2k7o h LEU 32 N 0.57 0.57 -0.95 1.64 5.85 0.17 -2.34 115.31 120.83 2k7o h LEU 32 Ca 0.03 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2k7o h LEU 32 Cb 1.02 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 2k7o h LEU 32 CO 0.10 0.48 0.60 0.50 -0.34 0.00 0.00 178.44 179.77 2k7o h LYS 33 N 0.62 1.27 -0.30 1.25 3.64 -0.94 -2.18 116.57 119.92 2k7o h LYS 33 Ca 0.17 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2k7o h LYS 33 Cb 0.02 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.55 2k7o h LYS 33 CO -0.03 0.86 0.14 0.93 -2.27 0.00 0.00 179.45 179.09 2k7o h GLU 34 N 1.29 0.44 -0.00 1.90 4.39 -1.20 -0.12 114.58 121.28 2k7o h GLU 34 Ca 0.34 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2k7o h GLU 34 Cb -0.10 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.47 2k7o h GLU 34 CO -0.07 0.42 -0.01 1.25 -1.16 0.00 0.00 179.01 179.44 2k7o h LEU 35 N 0.35 -0.02 0.00 1.33 5.85 -1.13 0.32 115.31 122.01 2k7o h LEU 35 Ca 0.10 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 2k7o h LEU 35 Cb 0.13 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.17 2k7o h LEU 35 CO -0.01 -0.01 -0.00 0.40 -0.34 0.00 0.00 178.44 178.48 2k7o h ILE 36 N -0.01 1.03 -0.90 4.05 2.04 -1.30 0.37 117.51 122.80 2k7o h ILE 36 Ca 0.00 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 2k7o h ILE 36 Cb 0.02 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 2k7o h ILE 36 CO -0.01 0.02 0.49 -1.13 0.00 0.00 0.00 178.15 177.52 2k7o h ASN 37 N -0.04 1.13 0.10 1.72 -1.24 -0.83 -2.53 115.58 113.88 2k7o h ASN 37 Ca -0.00 -0.10 -0.01 0.00 0.71 0.00 0.00 56.30 56.90 2k7o h ASN 37 Cb 0.04 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 38.81 2k7o h ASN 37 CO 0.00 0.91 -0.05 0.78 -1.29 0.00 0.00 177.43 177.78 2k7o h ASN 38 N 1.26 -0.12 0.00 1.15 2.35 -0.07 -3.42 115.58 116.73 2k7o h ASN 38 Ca 0.31 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 2k7o h ASN 38 Cb 0.04 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2k7o h ASN 38 CO -0.05 0.49 0.00 -0.62 -1.65 0.00 0.00 177.43 175.60 2k7o n GLU 39 N -4.84 0.00 -2.64 0.81 1.02 0.13 -4.74 120.64 110.38 2k7o n GLU 39 Ca -0.06 0.15 -0.42 0.00 -0.02 0.00 0.00 57.16 56.82 2k7o n GLU 39 Cb 0.22 -0.56 -0.03 0.00 -0.02 0.00 0.00 31.44 31.05 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 -2.97 3.63 0.00 -4.62 2.96 -0.96 -4.39 118.68 112.33 2k7o s LEU 40 Ca 0.00 -0.98 0.00 0.00 -0.22 0.00 0.00 54.13 52.93 2k7o s LEU 40 Cb 0.00 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 44.16 2k7o s LEU 40 CO 0.00 -1.61 0.00 -1.20 -1.32 0.00 0.00 176.35 172.22 2k7o n SER 41 N 8.72 0.00 0.11 3.68 7.64 -1.20 -4.21 113.62 128.36 2k7o n SER 41 Ca 0.13 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.09 2k7o n SER 41 Cb 0.49 0.00 0.40 0.00 -1.01 0.00 0.00 64.21 64.09 2k7o n SER 41 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2k7o n HIS 42 N -0.86 0.50 0.31 1.43 -0.00 -1.26 -1.45 115.22 113.90 2k7o n HIS 42 Ca 0.00 0.25 0.05 0.00 -0.00 0.00 0.00 57.72 58.02 2k7o n HIS 42 Cb 0.00 -0.90 -0.06 0.00 -0.00 0.00 0.00 29.99 29.03 2k7o n HIS 42 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 2k7o n PHE 43 N -2.01 0.00 0.00 1.57 3.72 -1.26 -4.90 117.46 114.58 2k7o n PHE 43 Ca -0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2k7o n PHE 43 Cb 0.06 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 2k7o n PHE 43 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2k7o n LEU 44 N -1.41 0.00 0.00 4.37 4.32 -0.53 -4.92 117.00 118.83 2k7o n LEU 44 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 2k7o n LEU 44 Cb 0.18 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.98 2k7o n LEU 44 CO 0.20 0.00 0.00 1.21 -1.22 0.00 0.00 177.39 177.58 2k7o n GLU 45 N -0.02 -1.54 0.03 3.23 2.13 -0.98 -4.75 120.64 118.75 2k7o n GLU 45 Ca 0.00 0.38 0.11 0.00 0.66 0.00 0.00 57.16 58.32 2k7o n GLU 45 Cb 0.00 -4.70 0.06 0.00 0.27 0.00 0.00 31.44 27.07 2k7o n GLU 45 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2k7o n GLU 46 N 0.20 0.27 -2.90 5.31 2.13 -1.26 -4.82 120.64 119.57 2k7o n GLU 46 Ca 0.00 0.01 -0.42 0.00 0.66 0.00 0.00 57.16 57.41 2k7o n GLU 46 Cb 0.38 -1.61 -0.04 0.00 0.27 0.00 0.00 31.44 30.44 2k7o n GLU 46 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2k7o s ILE 47 N -3.18 4.77 0.00 6.31 1.01 -1.26 -4.83 121.20 124.03 2k7o s ILE 47 Ca 0.05 1.33 0.00 0.00 0.00 0.00 0.00 60.65 62.02 2k7o s ILE 47 Cb 0.14 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.45 2k7o s ILE 47 CO 0.78 -0.23 0.00 0.29 0.00 0.00 0.00 174.94 175.78 2k7o n LYS 48 N 6.23 2.49 -4.22 2.79 5.02 -1.26 -5.07 118.16 124.14 2k7o n LYS 48 Ca 0.05 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 2k7o n LYS 48 Cb 0.48 -0.84 -0.09 0.00 -0.02 0.00 0.00 35.03 34.56 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 -1.58 2.36 0.25 1.97 8.01 -1.26 -5.02 118.70 123.43 2k7o s GLU 49 Ca 0.00 -0.91 -0.06 0.00 0.01 0.00 0.00 54.97 54.02 2k7o s GLU 49 Cb 0.00 -2.43 0.27 0.00 -4.31 0.00 0.00 34.13 27.66 2k7o s GLU 49 CO 0.00 0.53 1.91 1.96 0.01 0.00 0.00 175.26 179.67 2k7o h GLN 50 N 3.67 1.28 -0.70 1.61 1.08 -2.01 -2.26 115.11 117.78 2k7o h GLN 50 Ca -0.48 -0.10 0.15 0.00 -1.45 0.00 0.00 58.65 56.76 2k7o h GLN 50 Cb 1.17 -0.27 -0.04 0.00 -0.05 0.00 0.00 27.48 28.28 2k7o h GLN 50 CO 0.55 0.87 0.48 0.93 -0.95 0.00 0.00 178.83 180.72 2k7o h GLU 51 N 1.30 0.33 -0.38 1.46 5.08 -2.00 0.20 114.58 120.57 2k7o h GLU 51 Ca 0.34 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.63 2k7o h GLU 51 Cb -0.09 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2k7o h GLU 51 CO -0.07 0.22 0.02 0.28 -1.00 0.00 0.00 179.01 178.46 2k7o h VAL 52 N 0.34 1.21 -0.35 3.13 2.07 -1.82 -2.31 116.25 118.51 2k7o h VAL 52 Ca 0.34 -0.81 -0.17 0.00 0.82 0.00 0.00 66.70 66.88 2k7o h VAL 52 Cb 0.86 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2k7o h VAL 52 CO -0.09 0.28 -0.46 0.58 0.02 0.00 0.00 177.57 177.90 2k7o h VAL 53 N 0.57 1.27 -0.55 2.57 2.07 -0.68 -2.80 116.25 118.69 2k7o h VAL 53 Ca 0.12 -1.63 0.01 0.00 0.82 0.00 0.00 66.70 66.02 2k7o h VAL 53 Cb 0.34 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 2k7o h VAL 53 CO 0.01 0.54 0.36 0.44 0.02 0.00 0.00 177.57 178.94 2k7o h ASP 54 N 0.73 0.61 -0.06 0.57 5.19 -0.84 1.00 116.42 123.62 2k7o h ASP 54 Ca 0.04 -0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2k7o h ASP 54 Cb 1.06 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 40.42 2k7o h ASP 54 CO 0.11 0.44 0.03 0.50 -3.12 0.00 0.00 179.24 177.19 2k7o h LYS 55 N 0.73 0.09 -0.61 3.56 3.64 -1.45 -1.88 116.57 120.65 2k7o h LYS 55 Ca 0.21 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 2k7o h LYS 55 Cb -0.06 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2k7o h LYS 55 CO -0.06 0.20 0.15 0.28 -2.27 0.00 0.00 179.45 177.75 2k7o h VAL 56 N -0.04 1.25 -0.20 2.00 2.07 -1.18 -2.64 116.25 117.50 2k7o h VAL 56 Ca 0.02 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.63 2k7o h VAL 56 Cb 0.14 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 2k7o h VAL 56 CO -0.00 0.34 0.13 -0.03 0.02 0.00 0.00 177.57 178.03 2k7o h MET 57 N 0.88 0.27 -0.34 1.57 1.85 0.12 -0.76 114.93 118.52 2k7o h MET 57 Ca 0.19 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.27 2k7o h MET 57 Cb 0.35 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.31 2k7o h MET 57 CO 0.00 0.19 0.22 1.49 -0.40 0.00 0.00 176.91 178.42 2k7o h GLU 58 N 0.27 0.44 -0.89 0.39 4.81 -1.27 -0.95 114.58 117.38 2k7o h GLU 58 Ca 0.07 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2k7o h GLU 58 Cb -0.02 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 2k7o h GLU 58 CO -0.02 0.29 0.55 1.15 -0.73 0.00 0.00 179.01 180.26 2k7o h THR 59 N 0.46 1.24 -0.38 0.32 2.02 -1.26 -2.77 112.91 112.53 2k7o h THR 59 Ca 0.13 -0.50 -0.16 0.00 0.77 0.00 0.00 66.41 66.65 2k7o h THR 59 Cb -0.05 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.32 2k7o h THR 59 CO -0.03 0.25 -0.38 -0.07 0.37 0.00 0.00 175.52 175.66 2k7o h LEU 60 N 1.22 0.99 -8.57 2.58 3.38 -0.60 -3.40 115.31 110.91 2k7o h LEU 60 Ca 0.32 -0.46 -0.50 0.00 0.09 0.00 0.00 57.88 57.33 2k7o h LEU 60 Cb -0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.37 2k7o h LEU 60 CO -0.06 1.25 1.42 -1.81 0.09 0.00 0.00 178.44 179.33 2k7o s ASP 61 N -6.82 5.12 0.24 -0.43 1.01 -0.41 -4.81 116.67 110.57 2k7o s ASP 61 Ca -0.11 0.67 -0.07 0.00 0.71 0.00 0.00 52.55 53.74 2k7o s ASP 61 Cb 0.11 -2.52 0.23 0.00 1.01 0.00 0.00 42.92 41.75 2k7o s ASP 61 CO 0.88 -2.43 1.91 -0.33 0.21 0.00 0.00 175.17 175.41 2k7o h GLU 62 N 15.96 1.24 -0.01 8.23 5.08 -1.83 -2.53 114.58 140.72 2k7o h GLU 62 Ca -0.27 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2k7o h GLU 62 Cb 1.19 -0.28 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2k7o h GLU 62 CO 1.18 0.83 -0.38 -0.40 -1.00 0.00 0.00 179.01 179.23 2k7o n ASP 63 N -4.42 1.73 -1.34 1.42 5.75 -1.26 -4.96 116.55 113.47 2k7o n ASP 63 Ca 0.11 -1.33 -0.12 0.00 -0.01 0.00 0.00 54.79 53.44 2k7o n ASP 63 Cb 0.02 0.34 -0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 1.39 -0.10 0.00 6.12 0.00 -0.95 -4.87 105.19 106.77 2k7o n GLY 64 Ca 0.11 -0.39 0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.23 0.00 0.00 1.61 5.75 -1.26 -4.85 116.55 117.57 2k7o n ASP 65 Ca -0.13 0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 2k7o n ASP 65 Cb 0.60 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.41 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 0.19 3.16 3.42 6.12 0.00 -1.26 -5.00 105.19 111.81 2k7o n GLY 66 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.54 1.59 -0.42 1.61 8.01 -1.26 -4.63 118.70 123.06 2k7o s GLU 67 Ca 0.00 -1.88 -0.10 0.00 0.01 0.00 0.00 54.97 53.00 2k7o s GLU 67 Cb 0.00 -0.71 0.08 0.00 -4.31 0.00 0.00 34.13 29.18 2k7o s GLU 67 CO 0.00 -0.22 0.28 0.00 0.01 0.00 0.00 175.26 175.33 2k7o s ASP 69 N 2.17 1.42 0.09 0.00 1.01 -1.26 -3.18 116.67 116.92 2k7o s ASP 69 Ca 0.03 0.79 -0.22 0.00 0.71 0.00 0.00 52.55 53.86 2k7o s ASP 69 Cb -0.23 -1.17 -0.14 0.00 1.01 0.00 0.00 42.92 42.40 2k7o s ASP 69 CO 0.03 -3.83 1.73 0.15 0.21 0.00 0.00 175.17 173.45 2k7o h PHE 70 N -2.38 0.05 0.20 4.23 3.57 -1.99 0.53 116.94 121.15 2k7o h PHE 70 Ca -0.48 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.03 2k7o h PHE 70 Cb 1.31 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 2k7o h PHE 70 CO -1.37 0.05 -0.24 1.96 -2.23 0.00 0.00 178.31 176.49 2k7o h GLN 71 N 0.03 -0.46 -0.72 1.11 7.50 -1.95 -1.76 115.11 118.85 2k7o h GLN 71 Ca 0.01 0.03 0.01 0.00 0.50 0.00 0.00 58.65 59.20 2k7o h GLN 71 Cb 0.02 0.11 -0.04 0.00 0.05 0.00 0.00 27.48 27.62 2k7o h GLN 71 CO -0.00 -0.31 0.48 0.93 -1.50 0.00 0.00 178.83 178.43 2k7o h GLU 72 N -0.48 0.95 -0.98 1.46 5.08 -1.88 -1.76 114.58 116.97 2k7o h GLU 72 Ca 0.01 -0.06 0.24 0.00 -1.00 0.00 0.00 59.36 58.55 2k7o h GLU 72 Cb 0.47 -0.21 -0.12 0.00 0.50 0.00 0.00 28.75 29.38 2k7o h GLU 72 CO -0.08 0.63 0.55 0.35 -1.00 0.00 0.00 179.01 179.46 2k7o h PHE 73 N 0.98 0.94 -0.05 4.33 3.04 0.78 1.08 116.94 128.04 2k7o h PHE 73 Ca 0.27 0.04 -0.08 0.00 3.98 0.00 0.00 57.97 62.17 2k7o h PHE 73 Cb -0.11 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.13 2k7o h PHE 73 CO -0.02 0.05 -0.35 1.98 -2.02 0.00 0.00 178.31 177.94 2k7o h MET 74 N 0.55 0.10 0.30 1.11 4.05 -0.49 -2.04 114.93 118.51 2k7o h MET 74 Ca 0.62 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.99 2k7o h MET 74 Cb 1.17 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 2k7o h MET 74 CO -0.48 0.44 -0.14 0.00 0.23 0.00 0.00 176.91 176.96 2k7o h ALA 75 N 1.56 -0.40 -1.01 0.39 0.00 0.14 0.31 119.26 120.25 2k7o h ALA 75 Ca 0.01 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 54.94 2k7o h ALA 75 Cb 0.67 0.16 -0.09 0.00 0.00 0.00 0.00 17.79 18.52 2k7o h ALA 75 CO 0.05 -0.68 0.63 0.35 0.00 0.00 0.00 179.25 179.60 2k7o h PHE 76 N -0.50 1.13 -0.56 0.00 3.57 -1.06 1.63 116.94 121.14 2k7o h PHE 76 Ca -0.04 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2k7o h PHE 76 Cb 0.37 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 2k7o h PHE 76 CO -0.03 0.40 0.24 0.28 -2.23 0.00 0.00 178.31 176.97 2k7o h VAL 77 N 0.94 1.22 -0.10 1.41 2.07 -0.69 -2.00 116.25 119.09 2k7o h VAL 77 Ca 0.52 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 2k7o h VAL 77 Cb 0.60 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 2k7o h VAL 77 CO -0.30 0.25 -0.09 -1.28 0.02 0.00 0.00 177.57 176.17 2k7o h SER 78 N 0.76 0.25 -0.71 0.57 0.87 0.38 -2.80 113.55 112.88 2k7o h SER 78 Ca 0.19 -0.48 0.12 0.00 -1.23 0.00 0.00 61.79 60.39 2k7o h SER 78 Cb 0.17 -0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 61.97 2k7o h SER 78 CO -0.02 0.68 0.27 -0.03 -0.53 0.00 0.00 176.83 177.21 2k7o h MET 79 N -0.17 0.42 0.00 2.24 -1.53 0.22 2.46 114.93 118.58 2k7o h MET 79 Ca 0.02 -0.03 -0.02 0.00 -3.44 0.00 0.00 59.70 56.23 2k7o h MET 79 Cb 0.61 -0.10 -0.00 0.00 -0.55 0.00 0.00 31.60 31.56 2k7o h MET 79 CO 0.02 0.28 -0.10 0.28 0.14 0.00 0.00 176.91 177.53 2k7o h VAL 80 N 0.44 1.03 0.01 -5.77 2.07 -1.35 2.01 116.25 114.69 2k7o h VAL 80 Ca 0.38 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.49 2k7o h VAL 80 Cb 0.53 1.19 -0.00 0.00 -1.52 0.00 0.00 31.29 31.49 2k7o h VAL 80 CO -0.37 0.10 -0.34 0.74 0.02 0.00 0.00 177.57 177.72 2k7o h THR 81 N 0.00 1.59 0.00 2.57 2.02 0.10 -3.29 112.91 115.90 2k7o h THR 81 Ca -0.00 -2.33 0.00 0.00 0.77 0.00 0.00 66.41 64.85 2k7o h THR 81 Cb 0.18 3.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.73 2k7o h THR 81 CO 0.01 0.57 0.00 0.74 0.37 0.00 0.00 175.52 177.21 2k7o h THR 82 N -0.93 0.00 -0.38 3.16 2.02 0.41 -3.03 112.91 114.16 2k7o h THR 82 Ca -0.09 -0.51 -0.16 0.00 0.77 0.00 0.00 66.41 66.42 2k7o h THR 82 Cb 1.13 1.45 -0.01 0.00 -1.74 0.00 0.00 68.15 68.98 2k7o h THR 82 CO -0.03 0.00 -0.39 0.00 0.37 0.00 0.00 175.52 175.47 2k7o h ALA 83 N 2.09 0.58 -2.74 6.16 0.00 0.31 -3.42 119.26 122.24 2k7o h ALA 83 Ca 0.00 -0.46 -0.56 0.00 0.00 0.00 0.00 54.91 53.89 2k7o h ALA 83 Cb 0.56 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2k7o h ALA 83 CO 0.00 0.68 0.04 0.00 0.00 0.00 0.00 179.25 179.96 2k7o s HIS 85 N 0.58 2.54 0.20 0.00 3.76 -1.26 -4.91 115.29 116.20 2k7o s HIS 85 Ca 0.35 1.55 -0.32 0.00 -0.15 0.00 0.00 55.06 56.49 2k7o s HIS 85 Cb -0.17 -3.26 -0.12 0.00 1.11 0.00 0.00 32.58 30.14 2k7o s HIS 85 CO 0.17 -1.82 1.70 -1.21 -0.85 0.00 0.00 174.74 172.73 2k7o s GLU 86 N -3.84 4.14 -0.32 1.40 2.02 -1.26 -4.94 118.70 115.90 2k7o s GLU 86 Ca 0.70 2.57 -0.05 0.00 0.02 0.00 0.00 54.97 58.21 2k7o s GLU 86 Cb -0.23 -3.09 0.19 0.00 0.10 0.00 0.00 34.13 31.09 2k7o s GLU 86 CO 0.38 -0.73 0.92 0.12 0.02 0.00 0.00 175.26 175.96 2k7o s PHE 87 N 1.20 -0.84 0.00 1.61 5.36 -1.26 -5.09 117.98 118.96 2k7o s PHE 87 Ca 0.74 0.33 0.00 0.00 -0.96 0.00 0.00 56.93 57.04 2k7o s PHE 87 Cb -0.49 0.15 0.00 0.00 -0.34 0.00 0.00 43.02 42.34 2k7o s PHE 87 CO 0.32 -0.52 0.00 0.34 -1.46 0.00 0.00 175.22 173.89 2k7o n PHE 88 N 4.61 0.00 -0.00 10.12 7.35 -1.26 -4.95 117.46 133.33 2k7o n PHE 88 Ca 0.08 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.77 2k7o n PHE 88 Cb 0.59 -0.08 0.00 0.00 0.35 0.00 0.00 39.48 40.34 2k7o n PHE 88 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2k7o n GLU 89 N -1.37 0.00 -3.88 -4.13 2.13 -1.26 -4.80 120.64 107.33 2k7o n GLU 89 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 2k7o n GLU 89 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 2k7o n GLU 89 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2k7o s HIS 90 N 0.00 -0.08 0.00 4.31 -3.43 -1.26 -5.36 115.29 109.47 2k7o s HIS 90 Ca 0.00 -0.37 0.00 0.00 -0.80 0.00 0.00 55.06 53.89 2k7o s HIS 90 Cb 0.00 0.64 0.00 0.00 -1.43 0.00 0.00 32.58 31.79 2k7o s HIS 90 CO 0.00 -1.22 0.39 0.39 -2.00 0.00 0.00 174.74 172.30