#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 0.43 -0.20 4.33 3.07 -2.07 -1.50 114.58 118.63 2k7o h GLU 2 Ca 0.00 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.73 2k7o h GLU 2 Cb 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.80 2k7o h GLU 2 CO 0.00 0.28 -0.34 1.25 -1.40 0.00 0.00 179.01 178.80 2k7o h LEU 3 N 0.44 0.44 -0.83 1.33 5.85 -2.06 -2.89 115.31 117.58 2k7o h LEU 3 Ca 0.12 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2k7o h LEU 3 Cb -0.04 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 2k7o h LEU 3 CO -0.03 0.75 0.48 -0.08 -0.34 0.00 0.00 178.44 179.22 2k7o h GLU 4 N 0.36 1.15 -0.96 1.25 4.57 -1.72 -2.23 114.58 117.00 2k7o h GLU 4 Ca 0.04 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2k7o h GLU 4 Cb 0.78 -0.23 -0.05 0.00 -0.16 0.00 0.00 28.75 29.09 2k7o h GLU 4 CO 0.06 0.83 0.63 0.87 -1.18 0.00 0.00 179.01 180.22 2k7o h LYS 5 N 1.15 1.27 -0.59 1.92 1.57 -1.42 -0.06 116.57 120.41 2k7o h LYS 5 Ca 0.30 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 2k7o h LYS 5 Cb -0.00 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 31.99 2k7o h LYS 5 CO -0.05 0.84 0.39 0.00 -0.57 0.00 0.00 179.45 180.07 2k7o h ALA 6 N 1.39 0.75 -0.10 3.86 0.00 -1.35 0.46 119.26 124.28 2k7o h ALA 6 Ca 0.35 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 2k7o h ALA 6 Cb -0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.40 2k7o h ALA 6 CO -0.08 0.18 -0.02 0.52 0.00 0.00 0.00 179.25 179.85 2k7o h MET 7 N 0.80 0.19 -0.91 0.00 2.86 -1.17 -2.93 114.93 113.76 2k7o h MET 7 Ca 0.22 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.78 2k7o h MET 7 Cb -0.09 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 2k7o h MET 7 CO -0.05 0.50 0.56 0.28 1.06 0.00 0.00 176.91 179.26 2k7o h VAL 8 N -0.13 1.25 -0.91 -2.22 2.07 -0.67 -2.56 116.25 113.07 2k7o h VAL 8 Ca 0.03 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.03 2k7o h VAL 8 Cb 0.43 -0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 2k7o h VAL 8 CO 0.01 0.26 0.60 0.00 0.02 0.00 0.00 177.57 178.46 2k7o h ALA 9 N 1.31 1.15 -0.89 1.67 0.00 -0.03 -2.57 119.26 119.89 2k7o h ALA 9 Ca 0.33 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2k7o h ALA 9 Cb -0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.31 2k7o h ALA 9 CO -0.06 0.56 0.59 -0.07 0.00 0.00 0.00 179.25 180.27 2k7o h LEU 10 N 1.23 1.03 0.03 0.00 3.38 -1.27 -0.87 115.31 118.83 2k7o h LEU 10 Ca 0.33 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.28 2k7o h LEU 10 Cb -0.14 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.35 2k7o h LEU 10 CO -0.07 0.74 -0.01 0.40 0.09 0.00 0.00 178.44 179.59 2k7o h ILE 11 N 1.21 0.97 -0.97 1.22 2.04 -1.38 0.29 117.51 120.89 2k7o h ILE 11 Ca 0.33 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.19 2k7o h ILE 11 Cb -0.14 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 2k7o h ILE 11 CO -0.07 0.00 0.61 0.44 0.00 0.00 0.00 178.15 179.13 2k7o h ASP 12 N -0.04 1.15 -0.05 1.72 3.32 -1.36 0.29 116.42 121.45 2k7o h ASP 12 Ca -0.00 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 2k7o h ASP 12 Cb 0.03 -0.29 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 2k7o h ASP 12 CO 0.01 0.86 0.00 0.58 -1.72 0.00 0.00 179.24 178.97 2k7o h VAL 13 N 1.33 1.23 0.33 -1.35 2.07 -0.67 -1.12 116.25 118.08 2k7o h VAL 13 Ca 0.35 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 2k7o h VAL 13 Cb -0.09 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2k7o h VAL 13 CO -0.07 0.19 -0.16 0.15 0.02 0.00 0.00 177.57 177.70 2k7o h PHE 14 N -0.18 -0.41 -0.95 1.57 3.04 -0.11 -1.44 116.94 118.45 2k7o h PHE 14 Ca 0.01 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.96 2k7o h PHE 14 Cb 0.30 0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.90 2k7o h PHE 14 CO 0.02 -0.26 0.63 1.25 -2.02 0.00 0.00 178.31 177.94 2k7o h HIS 15 N -0.45 1.20 -0.32 0.41 2.76 -0.94 0.68 115.15 118.49 2k7o h HIS 15 Ca -0.05 0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 57.98 2k7o h HIS 15 Cb 0.34 -0.40 -0.00 0.00 1.55 0.00 0.00 27.41 28.90 2k7o h HIS 15 CO -0.05 0.75 -0.49 0.37 -1.30 0.00 0.00 177.93 177.21 2k7o h GLN 16 N 1.29 0.89 0.02 5.26 5.75 -1.08 0.39 115.11 127.63 2k7o h GLN 16 Ca 0.35 -0.53 -0.05 0.00 -0.15 0.00 0.00 58.65 58.27 2k7o h GLN 16 Cb -0.15 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.45 2k7o h GLN 16 CO -0.08 1.18 -0.19 1.88 -2.65 0.00 0.00 178.83 178.97 2k7o h TYR 17 N 0.69 0.16 0.00 3.99 0.05 -0.99 -3.10 116.97 117.77 2k7o h TYR 17 Ca 0.03 -0.10 0.00 0.00 0.05 0.00 0.00 58.73 58.71 2k7o h TYR 17 Cb 1.09 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.82 2k7o h TYR 17 CO 0.07 0.97 0.00 1.03 -1.05 0.00 0.00 178.16 179.18 2k7o h SER 18 N -0.69 0.00 -0.38 3.88 0.87 0.27 -3.01 113.55 114.49 2k7o h SER 18 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2k7o h SER 18 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2k7o h SER 18 CO 0.04 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.95 2k7o n GLY 19 N 0.92 0.96 0.14 5.77 0.00 0.14 -3.95 105.19 109.17 2k7o n GLY 19 Ca 0.03 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.39 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 2.25 0.44 -3.23 1.61 2.43 -1.44 -3.48 114.38 112.95 2k7o h ARG 20 Ca 0.00 -0.75 -0.12 0.00 -0.81 0.00 0.00 59.98 58.30 2k7o h ARG 20 Cb 0.59 0.28 -0.20 0.00 -0.42 0.00 0.00 29.97 30.23 2k7o h ARG 20 CO 0.03 1.36 -0.34 -1.21 -1.51 0.00 0.00 179.97 178.30 2k7o s GLU 21 N -2.57 0.64 0.96 0.20 2.02 -1.25 -5.12 118.70 113.58 2k7o s GLU 21 Ca -0.14 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 54.53 2k7o s GLU 21 Cb 0.04 0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.55 2k7o s GLU 21 CO 0.88 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 176.40 2k7o n GLY 22 N 1.18 -2.02 3.86 -1.39 0.00 -1.26 -4.87 105.19 100.68 2k7o n GLY 22 Ca -0.21 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 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 6.66 0.34 1.61 -1.08 -1.26 -4.93 116.67 114.01 2k7o s ASP 23 Ca 0.00 0.79 -0.29 0.00 -0.52 0.00 0.00 52.55 52.53 2k7o s ASP 23 Cb 0.00 -2.18 -0.11 0.00 -1.46 0.00 0.00 42.92 39.17 2k7o s ASP 23 CO 0.00 0.32 1.47 -0.75 0.52 0.00 0.00 175.17 176.72 2k7o s LYS 24 N -1.25 4.17 -0.08 4.34 2.20 -1.26 -2.47 119.74 125.39 2k7o s LYS 24 Ca 0.23 2.48 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 2k7o s LYS 24 Cb -0.15 -3.01 0.00 0.00 -1.51 0.00 0.00 37.83 33.16 2k7o s LYS 24 CO 0.12 -0.47 0.00 1.58 -0.36 0.00 0.00 175.35 176.22 2k7o n HIS 25 N 0.97 -0.03 -3.28 4.03 -0.00 -1.26 -5.01 115.22 110.64 2k7o n HIS 25 Ca 0.02 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.14 2k7o n HIS 25 Cb 0.39 -1.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.21 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 -3.58 0.44 -0.24 1.57 2.20 -1.03 -4.55 119.74 114.54 2k7o s LYS 26 Ca 0.00 0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 55.72 2k7o s LYS 26 Cb 0.00 -0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 36.05 2k7o s LYS 26 CO 0.00 -1.02 0.17 -0.51 -0.36 0.00 0.00 175.35 173.64 2k7o s LEU 27 N 2.59 4.10 0.48 5.43 1.02 -1.20 -4.51 118.68 126.59 2k7o s LEU 27 Ca 0.10 0.11 0.00 0.00 0.02 0.00 0.00 54.13 54.36 2k7o s LEU 27 Cb -0.12 -2.12 0.01 0.00 0.02 0.00 0.00 46.19 43.97 2k7o s LEU 27 CO -0.29 0.05 0.70 -0.54 0.02 0.00 0.00 176.35 176.29 2k7o s LYS 28 N 1.15 2.93 0.26 1.70 1.02 -1.26 -2.08 119.74 123.47 2k7o s LYS 28 Ca 0.08 -0.55 -0.04 0.00 0.02 0.00 0.00 55.97 55.48 2k7o s LYS 28 Cb -0.14 -2.53 0.35 0.00 -0.52 0.00 0.00 37.83 34.99 2k7o s LYS 28 CO 0.05 -0.39 1.90 1.57 -0.92 0.00 0.00 175.35 177.56 2k7o h LYS 29 N 0.30 1.22 -0.80 1.68 2.10 -1.99 0.34 116.57 119.43 2k7o h LYS 29 Ca -0.45 -0.07 -0.04 0.00 -2.00 0.00 0.00 60.65 58.09 2k7o h LYS 29 Cb 1.26 -0.28 -0.04 0.00 -0.90 0.00 0.00 32.23 32.28 2k7o h LYS 29 CO 0.56 0.81 0.36 1.03 -2.00 0.00 0.00 179.45 180.21 2k7o h SER 30 N 1.26 1.07 0.25 7.07 0.87 -1.99 -0.16 113.55 121.93 2k7o h SER 30 Ca 0.41 -0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 60.69 2k7o h SER 30 Cb 0.03 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 2k7o h SER 30 CO -0.14 0.93 -0.48 -0.33 -0.53 0.00 0.00 176.83 176.28 2k7o h GLU 31 N 1.15 0.27 -0.43 2.24 5.08 -1.58 -2.55 114.58 118.76 2k7o h GLU 31 Ca 0.27 -0.15 -0.15 0.00 -1.00 0.00 0.00 59.36 58.34 2k7o h GLU 31 Cb 0.16 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 2k7o h GLU 31 CO -0.03 0.70 -0.30 1.25 -1.00 0.00 0.00 179.01 179.62 2k7o h LEU 32 N 0.22 1.01 -0.61 1.33 5.85 0.39 -3.02 115.31 120.48 2k7o h LEU 32 Ca 0.01 -0.43 -0.10 0.00 0.84 0.00 0.00 57.88 58.20 2k7o h LEU 32 Cb 0.93 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2k7o h LEU 32 CO 0.08 1.23 0.00 0.50 -0.34 0.00 0.00 178.44 179.91 2k7o h LYS 33 N 0.81 1.08 -0.64 1.25 3.64 -0.90 -2.90 116.57 118.92 2k7o h LYS 33 Ca 0.08 -0.35 0.01 0.00 -1.27 0.00 0.00 60.65 59.13 2k7o h LYS 33 Cb 0.89 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 2k7o h LYS 33 CO 0.08 1.05 0.42 0.93 -2.27 0.00 0.00 179.45 179.67 2k7o h GLU 34 N 0.99 0.84 -0.23 1.90 5.08 -1.40 -0.74 114.58 121.02 2k7o h GLU 34 Ca 0.17 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 2k7o h GLU 34 Cb 0.56 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2k7o h GLU 34 CO 0.03 0.56 0.15 1.25 -1.00 0.00 0.00 179.01 180.00 2k7o h LEU 35 N 0.87 0.26 -0.69 1.33 5.85 -1.41 -0.17 115.31 121.35 2k7o h LEU 35 Ca 0.23 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 2k7o h LEU 35 Cb -0.10 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 2k7o h LEU 35 CO -0.05 0.19 0.38 0.40 -0.34 0.00 0.00 178.44 179.02 2k7o h ILE 36 N 0.31 1.22 -0.83 4.05 2.04 -1.27 2.16 117.51 125.18 2k7o h ILE 36 Ca 0.08 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 2k7o h ILE 36 Cb -0.03 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 2k7o h ILE 36 CO -0.02 0.24 0.42 0.78 0.00 0.00 0.00 178.15 179.56 2k7o h ASN 37 N 0.95 1.08 0.00 1.72 2.35 -0.73 -3.19 115.58 117.77 2k7o h ASN 37 Ca 0.24 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 2k7o h ASN 37 Cb 0.04 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 2k7o h ASN 37 CO -0.04 0.90 -0.08 0.78 -1.65 0.00 0.00 177.43 177.34 2k7o h ASN 38 N 1.18 0.01 -1.54 5.81 4.21 -0.45 -3.44 115.58 121.35 2k7o h ASN 38 Ca 0.29 -0.97 -0.55 0.00 1.21 0.00 0.00 56.30 56.28 2k7o h ASN 38 Cb 0.10 -0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 37.22 2k7o h ASN 38 CO -0.04 1.03 -0.46 -1.61 -1.29 0.00 0.00 177.43 175.06 2k7o s GLU 39 N -2.23 2.30 -1.49 0.81 2.02 0.72 -4.62 118.70 116.22 2k7o s GLU 39 Ca -0.19 -1.78 0.00 0.00 0.02 0.00 0.00 54.97 53.02 2k7o s GLU 39 Cb -0.02 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.13 2k7o s GLU 39 CO 0.69 -0.15 0.00 1.28 0.02 0.00 0.00 175.26 177.10 2k7o n LEU 40 N -1.32 -1.28 -0.37 1.80 4.77 -1.26 -3.99 117.00 115.34 2k7o n LEU 40 Ca -0.00 0.25 -0.02 0.00 -0.03 0.00 0.00 56.01 56.21 2k7o n LEU 40 Cb 0.64 -2.34 0.11 0.00 -2.33 0.00 0.00 43.42 39.50 2k7o n LEU 40 CO 0.45 -0.49 1.29 0.28 -1.33 0.00 0.00 177.39 177.59 2k7o h SER 41 N 0.00 1.15 0.99 -1.43 0.02 -1.78 0.55 113.55 113.05 2k7o h SER 41 Ca -0.34 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2k7o h SER 41 Cb 1.14 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.39 2k7o h SER 41 CO 0.45 0.84 0.00 -0.74 -1.14 0.00 0.00 176.83 176.24 2k7o h HIS 42 N 1.36 0.00 0.00 3.45 -0.00 -1.92 -2.92 115.15 115.12 2k7o h HIS 42 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.74 2k7o h HIS 42 Cb -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.26 2k7o h HIS 42 CO 0.00 0.00 -1.63 1.19 -0.00 0.00 0.00 177.93 177.49 2k7o n PHE 43 N -3.03 0.10 -3.44 5.26 3.01 -0.43 -4.84 117.46 114.08 2k7o n PHE 43 Ca 0.01 0.03 -0.15 0.00 1.01 0.00 0.00 57.45 58.35 2k7o n PHE 43 Cb 0.30 -0.43 -0.11 0.00 -0.01 0.00 0.00 39.48 39.23 2k7o n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2k7o s LEU 44 N -4.21 -0.31 0.00 4.37 1.43 0.05 -5.00 118.68 115.02 2k7o s LEU 44 Ca -0.03 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2k7o s LEU 44 Cb 0.14 0.66 0.00 0.00 0.03 0.00 0.00 46.19 47.02 2k7o s LEU 44 CO 0.88 -0.32 0.00 1.21 0.23 0.00 0.00 176.35 178.35 2k7o n GLU 45 N 5.34 1.80 0.00 1.70 2.13 -1.24 -4.44 120.64 125.92 2k7o n GLU 45 Ca -0.05 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.77 2k7o n GLU 45 Cb 0.50 -0.93 0.00 0.00 0.27 0.00 0.00 31.44 31.28 2k7o n GLU 45 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2k7o n GLU 46 N -1.48 0.00 -3.52 5.31 0.28 -1.26 -4.86 120.64 115.11 2k7o n GLU 46 Ca 0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.16 56.84 2k7o n GLU 46 Cb 0.16 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.03 2k7o n GLU 46 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2k7o n ILE 47 N 0.00 -5.94 0.12 3.84 5.41 -1.26 -4.88 119.36 116.64 2k7o n ILE 47 Ca 0.00 -0.13 0.12 0.00 1.00 0.00 0.00 62.75 63.73 2k7o n ILE 47 Cb 0.00 -4.45 0.00 0.00 -0.71 0.00 0.00 39.64 34.48 2k7o n ILE 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2k7o n LYS 48 N -2.38 0.60 -5.24 0.38 4.81 -1.26 -4.87 118.16 110.20 2k7o n LYS 48 Ca -0.20 0.12 -0.31 0.00 -0.87 0.00 0.00 58.31 57.05 2k7o n LYS 48 Cb 0.62 -1.82 -0.16 0.00 0.02 0.00 0.00 35.03 33.69 2k7o n LYS 48 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2k7o s GLU 49 N -3.36 2.28 0.25 1.64 2.02 -1.26 -5.01 118.70 115.25 2k7o s GLU 49 Ca -0.00 -0.89 -0.04 0.00 0.02 0.00 0.00 54.97 54.05 2k7o s GLU 49 Cb 0.10 -2.12 0.30 0.00 0.10 0.00 0.00 34.13 32.50 2k7o s GLU 49 CO 0.79 0.52 1.84 1.96 0.02 0.00 0.00 175.26 180.40 2k7o h GLN 50 N 5.61 1.07 -1.13 1.61 7.50 -2.01 -1.73 115.11 126.03 2k7o h GLN 50 Ca -0.41 -0.16 0.32 0.00 0.50 0.00 0.00 58.65 58.89 2k7o h GLN 50 Cb 1.14 -0.19 -0.08 0.00 0.05 0.00 0.00 27.48 28.40 2k7o h GLN 50 CO 0.48 0.85 0.77 1.49 -1.50 0.00 0.00 178.83 180.91 2k7o h GLU 51 N 1.06 0.19 -0.16 1.46 4.81 -2.00 1.62 114.58 121.56 2k7o h GLU 51 Ca 0.25 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.34 2k7o h GLU 51 Cb 0.15 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 2k7o h GLU 51 CO -0.03 0.13 -0.46 0.28 -0.73 0.00 0.00 179.01 178.20 2k7o h VAL 52 N 0.20 1.32 -0.15 0.32 2.07 -1.73 -2.41 116.25 115.87 2k7o h VAL 52 Ca 0.61 -1.66 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 2k7o h VAL 52 Cb 1.94 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 33.41 2k7o h VAL 52 CO -0.18 0.51 -0.03 0.58 0.02 0.00 0.00 177.57 178.47 2k7o h VAL 53 N 0.33 1.28 -0.82 2.57 2.07 0.23 -1.83 116.25 120.08 2k7o h VAL 53 Ca 0.02 -0.96 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 2k7o h VAL 53 Cb 0.94 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 32.29 2k7o h VAL 53 CO 0.08 0.28 0.50 -0.78 0.02 0.00 0.00 177.57 177.67 2k7o h ASP 54 N -0.01 0.98 -0.23 0.57 1.82 -1.22 0.16 116.42 118.49 2k7o h ASP 54 Ca 0.04 -0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.61 2k7o h ASP 54 Cb 0.45 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 2k7o h ASP 54 CO 0.01 0.76 0.14 0.50 -1.61 0.00 0.00 179.24 179.04 2k7o h LYS 55 N 1.12 0.32 -0.71 0.28 3.64 -1.34 -1.29 116.57 118.59 2k7o h LYS 55 Ca 0.29 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 2k7o h LYS 55 Cb -0.05 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 2k7o h LYS 55 CO -0.06 0.27 0.17 0.28 -2.27 0.00 0.00 179.45 177.84 2k7o h VAL 56 N 0.29 1.26 -0.59 2.00 2.07 -0.90 -2.72 116.25 117.67 2k7o h VAL 56 Ca 0.08 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.62 2k7o h VAL 56 Cb 0.03 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2k7o h VAL 56 CO -0.02 0.38 0.39 -0.03 0.02 0.00 0.00 177.57 178.32 2k7o h MET 57 N 1.08 0.78 -0.77 1.57 1.85 -0.28 -0.62 114.93 118.55 2k7o h MET 57 Ca 0.22 -0.05 0.01 0.00 -0.61 0.00 0.00 59.70 59.27 2k7o h MET 57 Cb 0.38 -0.18 -0.04 0.00 0.43 0.00 0.00 31.60 32.20 2k7o h MET 57 CO 0.00 0.52 0.51 1.49 -0.40 0.00 0.00 176.91 179.03 2k7o h GLU 58 N 0.80 1.01 -0.68 0.39 4.81 -1.00 0.13 114.58 120.04 2k7o h GLU 58 Ca 0.22 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 2k7o h GLU 58 Cb -0.09 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.03 2k7o h GLU 58 CO -0.05 0.67 0.12 1.15 -0.73 0.00 0.00 179.01 180.17 2k7o h THR 59 N 1.04 1.26 -0.39 0.32 2.02 -1.13 -2.98 112.91 113.06 2k7o h THR 59 Ca 0.28 -1.04 -0.16 0.00 0.77 0.00 0.00 66.41 66.27 2k7o h THR 59 Cb -0.12 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 2k7o h THR 59 CO -0.06 0.39 -0.38 -0.07 0.37 0.00 0.00 175.52 175.78 2k7o h LEU 60 N 1.05 1.01 -9.09 2.58 3.38 -0.48 -3.42 115.31 110.34 2k7o h LEU 60 Ca 0.21 -0.46 -0.56 0.00 0.09 0.00 0.00 57.88 57.15 2k7o h LEU 60 Cb 0.43 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2k7o h LEU 60 CO 0.01 1.26 1.26 -1.81 0.09 0.00 0.00 178.44 179.25 2k7o s ASP 61 N -6.83 6.13 0.20 -0.43 1.01 0.39 -4.86 116.67 112.27 2k7o s ASP 61 Ca -0.11 1.92 -0.11 0.00 0.71 0.00 0.00 52.55 54.96 2k7o s ASP 61 Cb 0.11 -2.53 0.13 0.00 1.01 0.00 0.00 42.92 41.65 2k7o s ASP 61 CO 0.88 -1.42 1.87 -0.08 0.21 0.00 0.00 175.17 176.63 2k7o h GLU 62 N 11.95 0.91 -0.01 8.23 4.57 -1.84 -2.56 114.58 135.82 2k7o h GLU 62 Ca -0.39 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2k7o h GLU 62 Cb 1.20 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2k7o h GLU 62 CO 0.98 0.60 -0.37 -0.40 -1.18 0.00 0.00 179.01 178.63 2k7o n ASP 63 N -4.61 1.50 -1.42 1.04 5.75 -1.26 -4.95 116.55 112.60 2k7o n ASP 63 Ca 0.06 -1.19 -0.11 0.00 -0.01 0.00 0.00 54.79 53.55 2k7o n ASP 63 Cb 0.02 0.31 0.01 0.00 -1.03 0.00 0.00 41.12 40.43 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 1.38 0.04 0.00 6.12 0.00 -0.97 -4.88 105.19 106.89 2k7o n GLY 64 Ca 0.11 -0.39 0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.16 0.00 -0.10 1.61 5.75 -1.26 -4.83 116.55 117.55 2k7o n ASP 65 Ca -0.08 -1.05 -0.01 0.00 -0.01 0.00 0.00 54.79 53.64 2k7o n ASP 65 Cb 0.57 0.00 -0.01 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 0.66 0.40 3.10 6.12 0.00 -1.26 -4.97 105.19 109.23 2k7o n GLY 66 Ca 0.17 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.13 0.63 -0.39 1.61 2.02 -1.26 -4.58 118.70 115.60 2k7o s GLU 67 Ca 0.00 -1.20 -0.06 0.00 0.02 0.00 0.00 54.97 53.73 2k7o s GLU 67 Cb 0.00 0.22 0.08 0.00 0.10 0.00 0.00 34.13 34.53 2k7o s GLU 67 CO 0.00 -0.12 0.19 0.00 0.02 0.00 0.00 175.26 175.34 2k7o s ASP 69 N 1.83 1.53 0.09 0.00 1.01 -1.26 -3.23 116.67 116.64 2k7o s ASP 69 Ca 0.03 0.86 -0.23 0.00 0.71 0.00 0.00 52.55 53.92 2k7o s ASP 69 Cb -0.22 -1.29 -0.15 0.00 1.01 0.00 0.00 42.92 42.27 2k7o s ASP 69 CO -0.00 -3.77 1.74 0.15 0.21 0.00 0.00 175.17 173.50 2k7o h PHE 70 N -2.34 0.01 0.46 4.23 3.04 -1.98 0.79 116.94 121.15 2k7o h PHE 70 Ca -0.49 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.43 2k7o h PHE 70 Cb 1.31 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.82 2k7o h PHE 70 CO -1.12 0.01 -0.22 0.37 -2.02 0.00 0.00 178.31 175.33 2k7o h GLN 71 N 0.01 -0.59 -0.39 1.11 4.15 -1.98 -0.29 115.11 117.13 2k7o h GLN 71 Ca 0.00 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2k7o h GLN 71 Cb -0.00 0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 2k7o h GLN 71 CO -0.00 -0.39 0.26 0.93 -1.93 0.00 0.00 178.83 177.69 2k7o h GLU 72 N -0.62 0.51 -1.05 1.69 5.08 -1.89 -0.20 114.58 118.10 2k7o h GLU 72 Ca -0.06 -0.03 0.28 0.00 -1.00 0.00 0.00 59.36 58.54 2k7o h GLU 72 Cb 0.47 -0.12 -0.11 0.00 0.50 0.00 0.00 28.75 29.50 2k7o h GLU 72 CO 0.10 0.34 0.65 0.35 -1.00 0.00 0.00 179.01 179.45 2k7o h PHE 73 N 0.53 0.80 -0.01 4.33 3.57 0.95 2.32 116.94 129.43 2k7o h PHE 73 Ca 0.14 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.60 2k7o h PHE 73 Cb -0.06 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 2k7o h PHE 73 CO -0.05 0.02 -0.34 1.98 -2.23 0.00 0.00 178.31 177.68 2k7o h MET 74 N 0.43 0.01 0.30 1.11 4.05 0.76 -1.55 114.93 120.04 2k7o h MET 74 Ca 0.64 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 60.05 2k7o h MET 74 Cb 1.51 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.31 2k7o h MET 74 CO -0.40 0.36 -0.14 0.00 0.23 0.00 0.00 176.91 176.96 2k7o h ALA 75 N 1.64 -0.40 -1.00 0.39 0.00 0.44 0.11 119.26 120.45 2k7o h ALA 75 Ca -0.00 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 54.88 2k7o h ALA 75 Cb 0.62 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2k7o h ALA 75 CO 0.05 -0.63 0.63 0.35 0.00 0.00 0.00 179.25 179.64 2k7o h PHE 76 N -0.57 1.14 -0.40 0.00 3.57 -1.02 0.59 116.94 120.24 2k7o h PHE 76 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2k7o h PHE 76 Cb 0.42 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2k7o h PHE 76 CO -0.01 0.46 0.26 0.28 -2.23 0.00 0.00 178.31 177.07 2k7o h VAL 77 N 1.00 1.11 -0.53 1.41 2.07 -0.82 -2.05 116.25 118.44 2k7o h VAL 77 Ca 0.49 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.73 2k7o h VAL 77 Cb 0.46 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2k7o h VAL 77 CO -0.26 0.11 0.11 0.77 0.02 0.00 0.00 177.57 178.32 2k7o h SER 78 N 0.54 0.82 -1.00 0.57 4.64 0.21 -1.94 113.55 117.38 2k7o h SER 78 Ca 0.15 -0.24 0.11 0.00 -0.47 0.00 0.00 61.79 61.33 2k7o h SER 78 Cb -0.04 -0.22 -0.08 0.00 -0.31 0.00 0.00 62.40 61.75 2k7o h SER 78 CO -0.03 0.85 0.64 -0.03 -0.87 0.00 0.00 176.83 177.39 2k7o h MET 79 N 0.75 1.01 -0.12 4.77 -1.53 0.43 0.29 114.93 120.53 2k7o h MET 79 Ca 0.16 -0.06 -0.12 0.00 -3.44 0.00 0.00 59.70 56.24 2k7o h MET 79 Cb 0.36 -0.23 -0.01 0.00 -0.55 0.00 0.00 31.60 31.17 2k7o h MET 79 CO 0.00 0.67 -0.47 0.28 0.14 0.00 0.00 176.91 177.53 2k7o h VAL 80 N 1.04 1.33 -0.34 -5.77 2.07 -1.05 -1.00 116.25 112.52 2k7o h VAL 80 Ca 0.48 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 2k7o h VAL 80 Cb 0.41 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2k7o h VAL 80 CO -0.24 0.50 0.16 0.74 0.02 0.00 0.00 177.57 178.75 2k7o h THR 81 N 0.25 1.17 0.14 2.57 2.02 0.28 -1.04 112.91 118.30 2k7o h THR 81 Ca 0.01 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 2k7o h THR 81 Cb 0.93 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.20 2k7o h THR 81 CO 0.08 0.18 -0.07 0.71 0.37 0.00 0.00 175.52 176.79 2k7o h THR 82 N 0.42 1.02 -1.00 3.16 1.35 -0.93 -2.97 112.91 113.96 2k7o h THR 82 Ca 0.12 -0.80 0.26 0.00 -0.55 0.00 0.00 66.41 65.44 2k7o h THR 82 Cb 0.14 1.50 -0.13 0.00 -1.73 0.00 0.00 68.15 67.93 2k7o h THR 82 CO -0.01 0.18 0.58 0.00 -0.25 0.00 0.00 175.52 176.02 2k7o h ALA 83 N 0.20 1.81 -2.80 6.62 0.00 -1.09 -3.40 119.26 120.60 2k7o h ALA 83 Ca -0.02 0.14 -0.54 0.00 0.00 0.00 0.00 54.91 54.49 2k7o h ALA 83 Cb 0.45 0.05 0.10 0.00 0.00 0.00 0.00 17.79 18.39 2k7o h ALA 83 CO 0.03 -0.34 0.78 0.00 0.00 0.00 0.00 179.25 179.73 2k7o s HIS 85 N -0.63 2.78 0.24 0.00 3.76 -1.26 -4.88 115.29 115.30 2k7o s HIS 85 Ca 0.58 0.64 -0.07 0.00 -0.15 0.00 0.00 55.06 56.06 2k7o s HIS 85 Cb -0.50 -4.10 0.22 0.00 1.11 0.00 0.00 32.58 29.30 2k7o s HIS 85 CO 0.57 -3.86 1.87 0.93 -0.85 0.00 0.00 174.74 173.40 2k7o h GLU 86 N 5.43 1.27 -6.74 1.40 5.08 -1.90 -3.41 114.58 115.71 2k7o h GLU 86 Ca -0.46 -0.13 -0.49 0.00 -1.00 0.00 0.00 59.36 57.28 2k7o h GLU 86 Cb 1.21 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 2k7o h GLU 86 CO 0.84 0.91 0.24 -0.06 -1.00 0.00 0.00 179.01 179.94 2k7o s PHE 87 N -5.90 3.66 -0.64 4.33 0.08 -1.26 -4.94 117.98 113.30 2k7o s PHE 87 Ca -0.13 1.60 0.25 0.00 0.12 0.00 0.00 56.93 58.77 2k7o s PHE 87 Cb 0.17 -2.78 0.54 0.00 -0.57 0.00 0.00 43.02 40.38 2k7o s PHE 87 CO 0.83 0.26 1.54 0.35 -0.10 0.00 0.00 175.22 178.10 2k7o h PHE 88 N 3.24 0.00 0.00 0.36 3.04 -2.02 -3.48 116.94 118.09 2k7o h PHE 88 Ca -0.47 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.48 2k7o h PHE 88 Cb 1.19 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.70 2k7o h PHE 88 CO 0.62 0.00 0.00 -1.91 -2.02 0.00 0.00 178.31 175.00 2k7o n GLU 89 N -2.31 0.00 -3.91 1.11 4.07 -1.26 -4.75 120.64 113.59 2k7o n GLU 89 Ca 0.04 0.00 -0.09 0.00 -0.06 0.00 0.00 57.16 57.05 2k7o n GLU 89 Cb 0.45 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.77 2k7o n GLU 89 CO 0.00 0.00 0.00 -3.38 -0.06 0.00 0.00 177.13 173.69 2k7o s HIS 90 N 0.00 0.28 0.00 4.31 -3.43 -1.26 -5.29 115.29 109.90 2k7o s HIS 90 Ca 0.00 -0.65 0.00 0.00 -0.80 0.00 0.00 55.06 53.61 2k7o s HIS 90 Cb 0.00 0.02 0.00 0.00 -1.43 0.00 0.00 32.58 31.17 2k7o s HIS 90 CO 0.00 -0.73 0.00 -1.91 -2.00 0.00 0.00 174.74 170.10