#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 0.65 -0.19 4.33 5.08 -2.07 -0.53 114.58 121.86 2k7o h GLU 2 Ca 0.00 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 2k7o h GLU 2 Cb 0.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2k7o h GLU 2 CO 0.00 0.43 -0.36 1.25 -1.00 0.00 0.00 179.01 179.33 2k7o h LEU 3 N 0.67 0.41 -0.66 1.33 7.12 -2.06 -2.89 115.31 119.23 2k7o h LEU 3 Ca 0.20 -0.17 -0.00 0.00 0.13 0.00 0.00 57.88 58.04 2k7o h LEU 3 Cb -0.03 -0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 39.96 2k7o h LEU 3 CO -0.05 0.75 0.41 -0.08 -0.13 0.00 0.00 178.44 179.34 2k7o h GLU 4 N 0.34 0.89 -0.99 1.25 4.81 -1.55 -2.37 114.58 116.96 2k7o h GLU 4 Ca 0.04 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2k7o h GLU 4 Cb 0.80 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 2k7o h GLU 4 CO 0.06 0.62 0.66 -0.22 -0.73 0.00 0.00 179.01 179.41 2k7o h LYS 5 N 0.90 1.31 -0.08 1.92 3.64 -1.27 0.92 116.57 123.91 2k7o h LYS 5 Ca 0.24 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 2k7o h LYS 5 Cb -0.05 -0.30 -0.00 0.00 -0.41 0.00 0.00 32.23 31.47 2k7o h LYS 5 CO -0.05 0.87 0.05 0.00 -2.27 0.00 0.00 179.45 178.05 2k7o h ALA 6 N 1.36 0.10 0.00 5.00 0.00 -1.35 0.51 119.26 124.89 2k7o h ALA 6 Ca 0.36 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2k7o h ALA 6 Cb -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2k7o h ALA 6 CO -0.08 -0.41 -0.00 0.52 0.00 0.00 0.00 179.25 179.28 2k7o h MET 7 N 0.09 -0.00 -1.01 0.00 2.86 -1.05 -2.45 114.93 113.37 2k7o h MET 7 Ca 0.03 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2k7o h MET 7 Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 2k7o h MET 7 CO -0.01 0.01 0.67 0.28 1.06 0.00 0.00 176.91 178.93 2k7o h VAL 8 N -0.01 1.26 -0.88 -2.22 2.07 -0.50 -2.27 116.25 113.69 2k7o h VAL 8 Ca -0.00 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.06 2k7o h VAL 8 Cb 0.01 -0.23 -0.04 0.00 -1.52 0.00 0.00 31.29 29.51 2k7o h VAL 8 CO 0.00 0.25 0.58 0.00 0.02 0.00 0.00 177.57 178.42 2k7o h ALA 9 N 1.37 1.12 -0.36 1.67 0.00 0.36 -2.22 119.26 121.19 2k7o h ALA 9 Ca 0.37 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2k7o h ALA 9 Cb -0.16 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.26 2k7o h ALA 9 CO -0.08 0.52 0.24 -0.07 0.00 0.00 0.00 179.25 179.86 2k7o h LEU 10 N 1.19 0.42 0.36 0.00 3.38 -0.96 0.25 115.31 119.95 2k7o h LEU 10 Ca 0.32 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2k7o h LEU 10 Cb -0.14 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.51 2k7o h LEU 10 CO -0.07 0.30 -0.17 0.40 0.09 0.00 0.00 178.44 178.99 2k7o h ILE 11 N 0.49 0.64 -0.84 1.22 2.04 -1.26 1.21 117.51 121.02 2k7o h ILE 11 Ca 0.13 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 2k7o h ILE 11 Cb -0.06 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.63 2k7o h ILE 11 CO -0.03 0.00 0.54 0.44 0.00 0.00 0.00 178.15 179.10 2k7o h ASP 12 N -0.49 0.98 -0.23 1.72 3.32 -1.27 -0.79 116.42 119.66 2k7o h ASP 12 Ca -0.05 -0.04 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 2k7o h ASP 12 Cb 0.37 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.67 2k7o h ASP 12 CO 0.08 0.73 -0.25 0.58 -1.72 0.00 0.00 179.24 178.66 2k7o h VAL 13 N 1.15 1.32 0.34 -1.35 2.07 -0.18 -2.66 116.25 116.94 2k7o h VAL 13 Ca 0.31 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 2k7o h VAL 13 Cb -0.10 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2k7o h VAL 13 CO -0.06 0.44 -0.16 0.15 0.02 0.00 0.00 177.57 177.95 2k7o h PHE 14 N 0.27 -0.43 -0.24 1.57 3.57 0.18 -2.06 116.94 119.81 2k7o h PHE 14 Ca 0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2k7o h PHE 14 Cb 0.81 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2k7o h PHE 14 CO 0.08 -0.21 0.15 1.25 -2.23 0.00 0.00 178.31 177.35 2k7o h HIS 15 N -0.55 0.29 -0.91 0.41 2.76 -1.22 0.67 115.15 116.60 2k7o h HIS 15 Ca -0.05 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 2k7o h HIS 15 Cb 0.41 -0.10 -0.04 0.00 1.55 0.00 0.00 27.41 29.23 2k7o h HIS 15 CO -0.03 0.18 0.54 1.96 -1.30 0.00 0.00 177.93 179.28 2k7o h GLN 16 N 0.31 1.25 -0.08 5.26 7.50 -1.48 1.77 115.11 129.64 2k7o h GLN 16 Ca 0.09 -0.12 -0.06 0.00 0.50 0.00 0.00 58.65 59.06 2k7o h GLN 16 Cb -0.03 -0.26 0.00 0.00 0.05 0.00 0.00 27.48 27.25 2k7o h GLN 16 CO -0.03 0.88 -0.18 1.88 -1.50 0.00 0.00 178.83 179.88 2k7o h TYR 17 N 1.26 0.33 0.00 2.96 0.05 -0.95 -3.08 116.97 117.54 2k7o h TYR 17 Ca 0.33 -0.12 0.00 0.00 0.05 0.00 0.00 58.73 58.98 2k7o h TYR 17 Cb -0.04 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.64 2k7o h TYR 17 CO 0.00 0.79 0.00 0.66 -1.05 0.00 0.00 178.16 178.56 2k7o h SER 18 N -0.22 0.00 -0.14 3.88 4.64 0.61 -2.91 113.55 119.41 2k7o h SER 18 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2k7o h SER 18 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2k7o h SER 18 CO 0.04 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 2k7o n GLY 19 N 0.40 1.38 0.08 -0.77 0.00 0.60 -3.91 105.19 102.97 2k7o n GLY 19 Ca 0.02 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 0.92 0.00 -7.12 1.61 3.08 -1.56 -3.47 114.38 107.83 2k7o h ARG 20 Ca 0.00 0.00 -0.50 0.00 0.07 0.00 0.00 59.98 59.55 2k7o h ARG 20 Cb 0.70 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.80 2k7o h ARG 20 CO 0.09 0.76 0.25 -2.00 -1.07 0.00 0.00 179.97 178.00 2k7o s GLU 21 N -2.21 3.57 0.42 0.04 2.56 -1.25 -4.93 118.70 116.90 2k7o s GLU 21 Ca -0.21 0.45 0.22 0.00 0.00 0.00 0.00 54.97 55.43 2k7o s GLU 21 Cb 0.02 -2.24 1.21 0.00 2.00 0.00 0.00 34.13 35.11 2k7o s GLU 21 CO 0.51 -0.37 1.75 0.78 -0.56 0.00 0.00 175.26 177.38 2k7o h GLY 22 N -0.01 1.07 -4.19 -1.50 0.00 -1.90 -3.40 103.07 93.13 2k7o h GLY 22 Ca -0.46 -0.16 -0.53 0.00 0.00 0.00 0.00 47.33 46.18 2k7o h GLY 22 CO 0.62 -0.16 0.86 0.51 0.00 0.00 0.00 176.54 178.37 2k7o s ASP 23 N -5.14 6.35 0.00 0.19 1.47 -1.26 -4.95 116.67 113.33 2k7o s ASP 23 Ca -0.08 2.99 0.00 0.00 1.18 0.00 0.00 52.55 56.64 2k7o s ASP 23 Cb 0.26 -2.65 0.00 0.00 -0.34 0.00 0.00 42.92 40.19 2k7o s ASP 23 CO 0.80 -0.91 0.00 0.29 0.68 0.00 0.00 175.17 176.03 2k7o n LYS 24 N 1.67 0.00 -0.19 2.11 4.01 -1.26 -4.52 118.16 119.97 2k7o n LYS 24 Ca 0.06 0.46 0.07 0.00 -0.51 0.00 0.00 58.31 58.39 2k7o n LYS 24 Cb 0.38 -0.96 0.18 0.00 -0.51 0.00 0.00 35.03 34.12 2k7o n LYS 24 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2k7o n HIS 25 N -2.01 0.50 -4.24 2.13 8.25 -1.26 -4.16 115.22 114.42 2k7o n HIS 25 Ca 0.00 -0.41 -0.34 0.00 -0.26 0.00 0.00 57.72 56.71 2k7o n HIS 25 Cb 0.00 -0.02 -0.12 0.00 1.12 0.00 0.00 29.99 30.98 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 -1.04 3.75 -0.20 -0.41 1.02 -1.26 -3.96 119.74 117.64 2k7o s LYS 26 Ca 0.28 -0.47 -0.10 0.00 0.02 0.00 0.00 55.97 55.70 2k7o s LYS 26 Cb 0.15 -3.02 -0.05 0.00 -0.52 0.00 0.00 37.83 34.39 2k7o s LYS 26 CO 0.20 0.22 0.14 -0.51 -0.92 0.00 0.00 175.35 174.48 2k7o s LEU 27 N 0.46 4.21 0.46 3.17 1.02 -1.16 -4.70 118.68 122.15 2k7o s LEU 27 Ca -0.01 0.25 -0.00 0.00 0.02 0.00 0.00 54.13 54.38 2k7o s LEU 27 Cb -0.14 -2.11 -0.00 0.00 0.02 0.00 0.00 46.19 43.97 2k7o s LEU 27 CO 0.02 0.18 0.69 -0.75 0.02 0.00 0.00 176.35 176.51 2k7o s LYS 28 N 0.36 3.03 0.17 1.70 2.20 -1.26 -2.38 119.74 123.56 2k7o s LYS 28 Ca 0.08 -0.47 -0.19 0.00 -0.36 0.00 0.00 55.97 55.03 2k7o s LYS 28 Cb -0.11 -2.54 0.09 0.00 -1.51 0.00 0.00 37.83 33.77 2k7o s LYS 28 CO -0.02 -0.32 1.64 0.87 -0.36 0.00 0.00 175.35 177.16 2k7o h LYS 29 N 0.34 -0.12 -0.92 4.03 1.57 -1.98 2.09 116.57 121.58 2k7o h LYS 29 Ca -0.46 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 2k7o h LYS 29 Cb 1.26 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.55 2k7o h LYS 29 CO 0.57 -0.08 0.51 0.77 -0.57 0.00 0.00 179.45 180.66 2k7o h SER 30 N -0.12 1.13 -0.41 0.86 0.02 -1.98 0.15 113.55 113.20 2k7o h SER 30 Ca 0.19 -0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 60.89 2k7o h SER 30 Cb 0.42 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2k7o h SER 30 CO -0.47 0.90 -0.36 -0.08 -1.14 0.00 0.00 176.83 175.68 2k7o h GLU 31 N 1.28 0.96 -0.17 3.45 4.81 -1.35 -2.44 114.58 121.12 2k7o h GLU 31 Ca 0.32 -0.49 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2k7o h GLU 31 Cb 0.01 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2k7o h GLU 31 CO -0.05 1.15 0.10 1.25 -0.73 0.00 0.00 179.01 180.72 2k7o h LEU 32 N 0.79 0.20 -1.00 1.64 5.85 0.39 -2.54 115.31 120.64 2k7o h LEU 32 Ca 0.07 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.74 2k7o h LEU 32 Cb 0.95 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.88 2k7o h LEU 32 CO 0.09 0.20 0.67 0.50 -0.34 0.00 0.00 178.44 179.56 2k7o h LYS 33 N 0.18 1.32 -0.91 1.25 3.64 -0.93 -2.05 116.57 119.07 2k7o h LYS 33 Ca 0.06 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2k7o h LYS 33 Cb 0.04 -0.30 -0.05 0.00 -0.41 0.00 0.00 32.23 31.52 2k7o h LYS 33 CO -0.01 0.87 0.60 1.49 -2.27 0.00 0.00 179.45 180.14 2k7o h GLU 34 N 1.36 1.20 -0.60 1.90 4.81 -1.12 -0.79 114.58 121.32 2k7o h GLU 34 Ca 0.37 -0.07 0.05 0.00 -0.13 0.00 0.00 59.36 59.57 2k7o h GLU 34 Cb -0.15 -0.27 -0.05 0.00 0.63 0.00 0.00 28.75 28.91 2k7o h GLU 34 CO -0.08 0.79 0.34 1.25 -0.73 0.00 0.00 179.01 180.58 2k7o h LEU 35 N 1.23 0.51 -0.37 1.64 7.12 -0.97 0.65 115.31 125.13 2k7o h LEU 35 Ca 0.34 0.02 -0.17 0.00 0.13 0.00 0.00 57.88 58.20 2k7o h LEU 35 Cb -0.14 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 39.91 2k7o h LEU 35 CO -0.07 0.35 -0.41 0.40 -0.13 0.00 0.00 178.44 178.57 2k7o h ILE 36 N 0.65 1.27 -0.74 4.05 2.04 -1.26 0.48 117.51 123.99 2k7o h ILE 36 Ca 0.26 -1.59 -0.04 0.00 1.00 0.00 0.00 64.86 64.50 2k7o h ILE 36 Cb 0.12 1.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.59 2k7o h ILE 36 CO -0.15 0.53 0.32 0.78 0.00 0.00 0.00 178.15 179.62 2k7o h ASN 37 N 0.76 1.00 0.00 1.72 2.35 -0.57 -2.51 115.58 118.32 2k7o h ASN 37 Ca 0.05 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2k7o h ASN 37 Cb 1.01 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.12 2k7o h ASN 37 CO 0.10 0.89 -0.00 0.78 -1.65 0.00 0.00 177.43 177.55 2k7o h ASN 38 N 1.06 -0.00 -2.20 5.81 2.35 -0.82 -3.41 115.58 118.36 2k7o h ASN 38 Ca 0.25 -0.99 -0.55 0.00 -0.55 0.00 0.00 56.30 54.46 2k7o h ASN 38 Cb 0.18 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 38.47 2k7o h ASN 38 CO -0.02 1.00 -0.62 -0.70 -1.65 0.00 0.00 177.43 175.43 2k7o s GLU 39 N -2.22 2.41 0.00 0.81 2.12 0.17 -4.54 118.70 117.45 2k7o s GLU 39 Ca -0.19 -1.35 0.00 0.00 0.36 0.00 0.00 54.97 53.79 2k7o s GLU 39 Cb -0.03 -2.24 0.00 0.00 0.26 0.00 0.00 34.13 32.12 2k7o s GLU 39 CO 0.69 0.37 0.00 -0.11 -0.54 0.00 0.00 175.26 175.67 2k7o n LEU 40 N -0.95 0.00 -0.38 2.70 7.94 -1.26 -3.82 117.00 121.23 2k7o n LEU 40 Ca -0.07 0.00 -0.02 0.00 -1.11 0.00 0.00 56.01 54.81 2k7o n LEU 40 Cb 0.59 -0.19 0.11 0.00 0.53 0.00 0.00 43.42 44.46 2k7o n LEU 40 CO 0.41 0.00 1.30 0.28 -1.11 0.00 0.00 177.39 178.27 2k7o h SER 41 N 0.00 1.15 0.47 1.96 0.02 -1.66 -0.71 113.55 114.78 2k7o h SER 41 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2k7o h SER 41 Cb 0.00 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.25 2k7o h SER 41 CO 0.00 0.83 0.00 1.41 -1.14 0.00 0.00 176.83 177.93 2k7o n HIS 42 N -4.39 0.00 -0.00 3.45 8.25 -1.26 -2.45 115.22 118.82 2k7o n HIS 42 Ca 0.12 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.68 2k7o n HIS 42 Cb 0.01 -0.50 -0.16 0.00 1.12 0.00 0.00 29.99 30.47 2k7o n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2k7o n PHE 43 N -1.50 0.00 -3.52 4.41 3.01 -0.31 -5.01 117.46 114.54 2k7o n PHE 43 Ca 0.03 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.35 2k7o n PHE 43 Cb 0.16 -0.47 -0.05 0.00 -0.01 0.00 0.00 39.48 39.11 2k7o n PHE 43 CO 0.00 0.00 0.00 -0.48 1.01 0.00 0.00 176.76 177.29 2k7o s LEU 44 N -4.42 -0.53 -0.18 4.37 0.05 -0.96 -5.05 118.68 111.95 2k7o s LEU 44 Ca -0.07 0.45 0.19 0.00 0.05 0.00 0.00 54.13 54.75 2k7o s LEU 44 Cb 0.13 2.29 0.46 0.00 -2.05 0.00 0.00 46.19 47.03 2k7o s LEU 44 CO 0.86 -0.58 1.16 -0.62 -0.55 0.00 0.00 176.35 176.62 2k7o n GLU 45 N 0.56 1.59 0.00 1.48 4.71 -1.26 -4.43 120.64 123.29 2k7o n GLU 45 Ca -0.15 -3.18 0.14 0.00 -0.01 0.00 0.00 57.16 53.96 2k7o n GLU 45 Cb 0.59 -1.28 0.63 0.00 -1.01 0.00 0.00 31.44 30.36 2k7o n GLU 45 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2k7o n GLU 46 N -0.39 0.03 -2.61 3.49 1.02 -1.26 -4.79 120.64 116.13 2k7o n GLU 46 Ca 0.16 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.88 2k7o n GLU 46 Cb 0.92 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.81 2k7o n GLU 46 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2k7o s ILE 47 N -2.97 4.59 0.00 -3.67 -1.09 -1.26 -4.77 121.20 112.03 2k7o s ILE 47 Ca 0.15 1.86 0.00 0.00 -2.23 0.00 0.00 60.65 60.43 2k7o s ILE 47 Cb 0.19 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.88 2k7o s ILE 47 CO 0.52 0.12 0.00 1.17 -1.23 0.00 0.00 174.94 175.53 2k7o n LYS 48 N 4.10 0.00 -4.66 2.79 4.81 -1.26 -5.12 118.16 118.83 2k7o n LYS 48 Ca 0.07 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.19 2k7o n LYS 48 Cb 0.49 -0.08 -0.12 0.00 0.02 0.00 0.00 35.03 35.35 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 -1.40 2.44 0.28 1.64 2.02 -1.26 -5.01 118.70 117.40 2k7o s GLU 49 Ca 0.00 -0.76 -0.04 0.00 0.02 0.00 0.00 54.97 54.19 2k7o s GLU 49 Cb 0.00 -2.39 0.36 0.00 0.10 0.00 0.00 34.13 32.20 2k7o s GLU 49 CO 0.00 0.60 1.95 1.96 0.02 0.00 0.00 175.26 179.79 2k7o h GLN 50 N 4.84 1.19 -0.53 1.61 4.20 -1.99 -1.69 115.11 122.74 2k7o h GLN 50 Ca -0.48 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.24 2k7o h GLN 50 Cb 1.16 -0.27 -0.03 0.00 0.30 0.00 0.00 27.48 28.64 2k7o h GLN 50 CO 0.51 0.79 0.36 0.93 -0.67 0.00 0.00 178.83 180.74 2k7o h GLU 51 N 1.23 0.37 -0.24 1.46 5.08 -1.99 0.24 114.58 120.72 2k7o h GLU 51 Ca 0.33 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.53 2k7o h GLU 51 Cb -0.14 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2k7o h GLU 51 CO -0.07 0.24 -0.45 0.28 -1.00 0.00 0.00 179.01 178.01 2k7o h VAL 52 N 0.38 1.30 -0.48 3.13 2.07 -1.73 -1.82 116.25 119.11 2k7o h VAL 52 Ca 0.24 -1.64 -0.10 0.00 0.82 0.00 0.00 66.70 66.02 2k7o h VAL 52 Cb 0.44 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 2k7o h VAL 52 CO -0.06 0.52 -0.08 0.58 0.02 0.00 0.00 177.57 178.55 2k7o h VAL 53 N 0.50 1.27 -0.66 2.57 2.07 -0.47 -2.25 116.25 119.27 2k7o h VAL 53 Ca 0.03 -1.20 -0.08 0.00 0.82 0.00 0.00 66.70 66.27 2k7o h VAL 53 Cb 0.97 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.78 2k7o h VAL 53 CO 0.09 0.42 0.09 0.44 0.02 0.00 0.00 177.57 178.62 2k7o h ASP 54 N 0.76 1.07 0.01 0.57 3.32 -0.66 0.63 116.42 122.12 2k7o h ASP 54 Ca 0.13 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 2k7o h ASP 54 Cb 0.63 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.89 2k7o h ASP 54 CO 0.04 1.07 -0.00 0.50 -1.72 0.00 0.00 179.24 179.13 2k7o h LYS 55 N 1.03 -0.01 -0.49 3.56 3.64 -1.20 0.67 116.57 123.76 2k7o h LYS 55 Ca 0.20 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.47 2k7o h LYS 55 Cb 0.47 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2k7o h LYS 55 CO 0.02 0.10 -0.11 0.28 -2.27 0.00 0.00 179.45 177.47 2k7o h VAL 56 N -0.11 1.27 -0.54 2.00 2.07 -1.26 -2.59 116.25 117.09 2k7o h VAL 56 Ca -0.00 -1.24 -0.12 0.00 0.82 0.00 0.00 66.70 66.16 2k7o h VAL 56 Cb 0.11 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2k7o h VAL 56 CO 0.00 0.43 -0.13 -0.03 0.02 0.00 0.00 177.57 177.87 2k7o h MET 57 N 0.80 1.03 -0.28 1.57 1.85 0.51 0.23 114.93 120.65 2k7o h MET 57 Ca 0.13 -0.39 0.00 0.00 -0.61 0.00 0.00 59.70 58.82 2k7o h MET 57 Cb 0.66 -0.06 -0.01 0.00 0.43 0.00 0.00 31.60 32.62 2k7o h MET 57 CO 0.05 1.09 0.18 1.49 -0.40 0.00 0.00 176.91 179.31 2k7o h GLU 58 N 0.91 0.36 -0.82 0.39 4.81 0.44 0.10 114.58 120.78 2k7o h GLU 58 Ca 0.14 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2k7o h GLU 58 Cb 0.70 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 2k7o h GLU 58 CO 0.05 0.24 0.34 1.15 -0.73 0.00 0.00 179.01 180.06 2k7o h THR 59 N 0.37 1.26 -0.16 0.32 2.02 -1.32 -2.80 112.91 112.61 2k7o h THR 59 Ca 0.10 -0.81 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2k7o h THR 59 Cb -0.04 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 2k7o h THR 59 CO -0.02 0.33 0.10 0.25 0.37 0.00 0.00 175.52 176.56 2k7o h LEU 60 N 1.18 0.19 -8.58 2.58 5.85 -0.12 -3.38 115.31 113.03 2k7o h LEU 60 Ca 0.27 -0.01 -0.49 0.00 0.84 0.00 0.00 57.88 58.49 2k7o h LEU 60 Cb 0.20 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2k7o h LEU 60 CO -0.03 0.15 1.48 -1.81 -0.34 0.00 0.00 178.44 177.89 2k7o s ASP 61 N -5.35 4.92 0.24 1.25 1.01 0.28 -4.81 116.67 114.21 2k7o s ASP 61 Ca -0.13 0.78 -0.07 0.00 0.71 0.00 0.00 52.55 53.84 2k7o s ASP 61 Cb 0.08 -2.52 0.23 0.00 1.01 0.00 0.00 42.92 41.72 2k7o s ASP 61 CO 0.69 -2.57 1.91 -0.08 0.21 0.00 0.00 175.17 175.33 2k7o h GLU 62 N 17.01 1.23 0.00 8.23 4.81 -1.82 -1.80 114.58 142.24 2k7o h GLU 62 Ca -0.26 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2k7o h GLU 62 Cb 1.21 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.32 2k7o h GLU 62 CO 1.17 0.82 -0.50 -0.40 -0.73 0.00 0.00 179.01 179.38 2k7o n ASP 63 N -4.43 0.53 -1.31 1.04 5.75 -1.26 -4.94 116.55 111.92 2k7o n ASP 63 Ca 0.11 -0.03 -0.11 0.00 -0.01 0.00 0.00 54.79 54.75 2k7o n ASP 63 Cb 0.01 0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.24 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 1.44 -0.03 0.00 6.12 0.00 -0.68 -4.88 105.19 107.16 2k7o n GLY 64 Ca 0.05 -0.41 0.09 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 -0.11 0.00 0.00 1.61 5.75 -1.26 -4.84 116.55 117.70 2k7o n ASP 65 Ca -0.11 -0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.55 2k7o n ASP 65 Cb 0.59 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.45 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 0.29 1.96 3.19 6.12 0.00 -1.26 -4.99 105.19 110.50 2k7o n GLY 66 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 2k7o n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k7o s GLU 67 N -0.17 0.94 -0.41 1.61 -1.05 -1.26 -4.55 118.70 113.81 2k7o s GLU 67 Ca 0.00 -1.42 -0.11 0.00 -0.15 0.00 0.00 54.97 53.28 2k7o s GLU 67 Cb 0.00 -0.10 0.05 0.00 -0.44 0.00 0.00 34.13 33.64 2k7o s GLU 67 CO 0.00 -0.12 0.27 0.00 0.95 0.00 0.00 175.26 176.36 2k7o s ASP 69 N 1.95 1.77 0.09 0.00 1.01 -1.26 -2.99 116.67 117.24 2k7o s ASP 69 Ca 0.03 0.62 -0.23 0.00 0.71 0.00 0.00 52.55 53.68 2k7o s ASP 69 Cb -0.21 -0.88 -0.15 0.00 1.01 0.00 0.00 42.92 42.69 2k7o s ASP 69 CO 0.05 -3.60 1.74 0.15 0.21 0.00 0.00 175.17 173.72 2k7o h PHE 70 N -2.22 0.01 0.47 4.23 3.04 -1.98 0.54 116.94 121.02 2k7o h PHE 70 Ca -0.46 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.47 2k7o h PHE 70 Cb 1.29 -0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.79 2k7o h PHE 70 CO -1.51 0.01 -0.25 0.37 -2.02 0.00 0.00 178.31 174.91 2k7o h GLN 71 N 0.01 -0.65 -0.58 1.11 4.15 -1.95 -0.62 115.11 116.58 2k7o h GLN 71 Ca 0.00 0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.47 2k7o h GLN 71 Cb 0.00 0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.81 2k7o h GLN 71 CO -0.00 -0.43 0.38 0.93 -1.93 0.00 0.00 178.83 177.78 2k7o h GLU 72 N -0.67 0.76 -1.00 1.69 5.08 -1.91 -1.07 114.58 117.46 2k7o h GLU 72 Ca -0.06 -0.05 0.24 0.00 -1.00 0.00 0.00 59.36 58.50 2k7o h GLU 72 Cb 0.53 -0.17 -0.12 0.00 0.50 0.00 0.00 28.75 29.49 2k7o h GLU 72 CO 0.08 0.51 0.60 0.35 -1.00 0.00 0.00 179.01 179.55 2k7o h PHE 73 N 0.79 1.02 -0.01 4.33 3.04 0.51 1.40 116.94 128.02 2k7o h PHE 73 Ca 0.21 0.04 -0.10 0.00 3.98 0.00 0.00 57.97 62.10 2k7o h PHE 73 Cb -0.09 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.11 2k7o h PHE 73 CO -0.03 0.08 -0.47 1.98 -2.02 0.00 0.00 178.31 177.85 2k7o h MET 74 N 0.60 0.03 0.65 1.11 4.05 0.15 -2.63 114.93 118.89 2k7o h MET 74 Ca 0.64 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 60.01 2k7o h MET 74 Cb 1.19 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.00 2k7o h MET 74 CO -0.47 0.50 -0.31 0.00 0.23 0.00 0.00 176.91 176.86 2k7o h ALA 75 N 1.50 -0.87 -1.00 0.39 0.00 0.25 0.26 119.26 119.78 2k7o h ALA 75 Ca -0.00 -0.21 0.22 0.00 0.00 0.00 0.00 54.91 54.92 2k7o h ALA 75 Cb 0.84 0.34 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 2k7o h ALA 75 CO 0.06 -0.93 0.61 0.35 0.00 0.00 0.00 179.25 179.35 2k7o h PHE 76 N -1.00 1.02 -0.66 0.00 3.04 -1.24 1.77 116.94 119.86 2k7o h PHE 76 Ca -0.09 0.03 -0.05 0.00 3.98 0.00 0.00 57.97 61.84 2k7o h PHE 76 Cb 0.70 -0.30 -0.03 0.00 2.56 0.00 0.00 35.95 38.89 2k7o h PHE 76 CO -0.01 0.15 0.21 0.28 -2.02 0.00 0.00 178.31 176.93 2k7o h VAL 77 N 0.66 1.25 -0.03 1.41 2.07 -1.05 -1.79 116.25 118.77 2k7o h VAL 77 Ca 0.61 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 2k7o h VAL 77 Cb 1.08 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2k7o h VAL 77 CO -0.41 0.33 -0.05 0.77 0.02 0.00 0.00 177.57 178.22 2k7o h SER 78 N 0.96 0.09 -0.95 0.57 4.64 0.49 -2.09 113.55 117.26 2k7o h SER 78 Ca 0.21 -0.58 0.16 0.00 -0.47 0.00 0.00 61.79 61.12 2k7o h SER 78 Cb 0.29 -0.03 -0.10 0.00 -0.31 0.00 0.00 62.40 62.25 2k7o h SER 78 CO -0.01 0.65 0.55 0.24 -0.87 0.00 0.00 176.83 177.40 2k7o h MET 79 N -0.47 0.73 0.00 4.77 2.07 0.22 0.73 114.93 122.99 2k7o h MET 79 Ca 0.00 -0.04 -0.11 0.00 -2.07 0.00 0.00 59.70 57.47 2k7o h MET 79 Cb 0.64 -0.16 -0.02 0.00 -1.87 0.00 0.00 31.60 30.19 2k7o h MET 79 CO 0.01 0.48 -0.54 0.28 1.07 0.00 0.00 176.91 178.21 2k7o h VAL 80 N 0.75 1.24 -0.26 -2.22 2.07 -1.33 0.08 116.25 116.58 2k7o h VAL 80 Ca 0.52 -1.95 -0.11 0.00 0.82 0.00 0.00 66.70 65.98 2k7o h VAL 80 Cb 0.74 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2k7o h VAL 80 CO -0.36 0.53 -0.27 0.74 0.02 0.00 0.00 177.57 178.23 2k7o h THR 81 N 0.00 1.31 0.46 2.57 2.02 0.97 -1.75 112.91 118.49 2k7o h THR 81 Ca -0.01 -1.44 -0.02 0.00 0.77 0.00 0.00 66.41 65.71 2k7o h THR 81 Cb 1.05 1.64 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2k7o h THR 81 CO 0.07 0.46 -0.22 0.74 0.37 0.00 0.00 175.52 176.94 2k7o h THR 82 N 0.37 0.14 -0.98 3.16 2.02 -0.18 -3.19 112.91 114.25 2k7o h THR 82 Ca 0.04 -0.57 0.30 0.00 0.77 0.00 0.00 66.41 66.95 2k7o h THR 82 Cb 0.84 0.22 -0.14 0.00 -1.74 0.00 0.00 68.15 67.32 2k7o h THR 82 CO 0.07 0.03 0.51 0.00 0.37 0.00 0.00 175.52 176.50 2k7o h ALA 83 N -1.02 1.81 -2.45 6.16 0.00 -1.05 -3.38 119.26 119.33 2k7o h ALA 83 Ca -0.06 0.19 -0.53 0.00 0.00 0.00 0.00 54.91 54.51 2k7o h ALA 83 Cb 0.52 0.17 0.03 0.00 0.00 0.00 0.00 17.79 18.51 2k7o h ALA 83 CO 0.10 -0.51 1.17 0.00 0.00 0.00 0.00 179.25 180.02 2k7o s HIS 85 N 3.49 3.62 0.00 0.00 3.76 -1.26 -4.96 115.29 119.94 2k7o s HIS 85 Ca 0.85 1.65 0.00 0.00 -0.15 0.00 0.00 55.06 57.40 2k7o s HIS 85 Cb -0.45 -2.83 0.00 0.00 1.11 0.00 0.00 32.58 30.41 2k7o s HIS 85 CO 0.39 0.20 0.00 0.39 -0.85 0.00 0.00 174.74 174.87 2k7o n GLU 86 N 0.41 0.00 -4.43 1.40 1.02 -1.26 -4.70 120.64 113.08 2k7o n GLU 86 Ca 0.02 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.77 2k7o n GLU 86 Cb 0.51 -0.37 -0.08 0.00 -0.02 0.00 0.00 31.44 31.49 2k7o n GLU 86 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2k7o n PHE 87 N 0.00 -1.27 -0.19 -0.32 3.01 -1.26 -4.79 117.46 112.64 2k7o n PHE 87 Ca 0.00 0.68 -0.06 0.00 1.01 0.00 0.00 57.45 59.08 2k7o n PHE 87 Cb 0.00 -2.31 0.03 0.00 -0.01 0.00 0.00 39.48 37.19 2k7o n PHE 87 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 2k7o h PHE 88 N -1.23 0.71 -2.22 1.38 3.57 -2.03 -3.36 116.94 113.75 2k7o h PHE 88 Ca -0.62 0.02 -0.55 0.00 3.53 0.00 0.00 57.97 60.36 2k7o h PHE 88 Cb 1.39 -0.24 -0.08 0.00 2.79 0.00 0.00 35.95 39.81 2k7o h PHE 88 CO 0.64 0.44 1.11 -1.21 -2.23 0.00 0.00 178.31 177.06 2k7o s GLU 89 N -6.15 3.22 0.21 1.11 0.41 -1.26 -4.93 118.70 111.31 2k7o s GLU 89 Ca -0.13 -0.32 -0.22 0.00 -0.41 0.00 0.00 54.97 53.89 2k7o s GLU 89 Cb 0.13 -4.30 0.05 0.00 -1.78 0.00 0.00 34.13 28.22 2k7o s GLU 89 CO 0.75 -2.17 0.65 -3.38 -0.49 0.00 0.00 175.26 170.62 2k7o s HIS 90 N 5.72 -0.39 -2.56 1.61 -3.43 -1.26 -5.24 115.29 109.75 2k7o s HIS 90 Ca 0.37 0.07 0.28 0.00 -0.80 0.00 0.00 55.06 54.98 2k7o s HIS 90 Cb -0.07 0.62 0.95 0.00 -1.43 0.00 0.00 32.58 32.65 2k7o s HIS 90 CO 0.13 -1.01 1.69 -1.91 -2.00 0.00 0.00 174.74 171.63