#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 1.01 -0.09 1.43 4.57 -2.07 -1.53 114.58 117.90 2k7o h GLU 2 Ca 0.00 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.00 2k7o h GLU 2 Cb 0.00 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.35 2k7o h GLU 2 CO 0.00 0.67 -0.48 1.25 -1.18 0.00 0.00 179.01 179.27 2k7o h LEU 3 N 1.04 0.25 -0.76 1.64 6.46 -2.07 -2.95 115.31 118.92 2k7o h LEU 3 Ca 0.29 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 2k7o h LEU 3 Cb -0.10 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.72 2k7o h LEU 3 CO -0.06 0.69 0.44 -0.08 -0.62 0.00 0.00 178.44 178.81 2k7o h GLU 4 N 0.19 1.04 -0.90 1.25 4.81 -1.74 -2.29 114.58 116.93 2k7o h GLU 4 Ca 0.01 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2k7o h GLU 4 Cb 0.91 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 30.04 2k7o h GLU 4 CO 0.07 0.75 0.60 0.87 -0.73 0.00 0.00 179.01 180.57 2k7o h LYS 5 N 1.04 1.19 -0.73 1.92 1.57 -1.31 -1.94 116.57 118.31 2k7o h LYS 5 Ca 0.27 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2k7o h LYS 5 Cb -0.01 -0.27 -0.04 0.00 0.08 0.00 0.00 32.23 32.00 2k7o h LYS 5 CO -0.05 0.79 0.48 0.00 -0.57 0.00 0.00 179.45 180.10 2k7o h ALA 6 N 1.44 0.92 0.00 3.86 0.00 -1.37 0.12 119.26 124.24 2k7o h ALA 6 Ca 0.33 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2k7o h ALA 6 Cb -0.14 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.35 2k7o h ALA 6 CO -0.07 0.35 -0.00 1.98 0.00 0.00 0.00 179.25 181.50 2k7o h MET 7 N 0.99 -0.00 -1.00 0.00 1.85 -1.19 -2.57 114.93 113.01 2k7o h MET 7 Ca 0.27 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.37 2k7o h MET 7 Cb -0.11 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 31.87 2k7o h MET 7 CO -0.06 0.07 0.67 0.28 -0.40 0.00 0.00 176.91 177.47 2k7o h VAL 8 N -0.07 1.26 -0.87 -5.77 2.07 -0.95 -2.03 116.25 109.89 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 0.07 -0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 29.58 2k7o h VAL 8 CO 0.00 0.25 0.57 0.00 0.02 0.00 0.00 177.57 178.41 2k7o h ALA 9 N 1.37 1.10 -0.18 1.67 0.00 -0.76 -2.13 119.26 120.32 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 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.27 2k7o h ALA 9 CO -0.08 0.51 0.12 1.25 0.00 0.00 0.00 179.25 181.04 2k7o h LEU 10 N 1.17 0.20 0.22 0.00 5.85 -0.97 0.96 115.31 122.74 2k7o h LEU 10 Ca 0.32 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 2k7o h LEU 10 Cb -0.13 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.85 2k7o h LEU 10 CO -0.07 0.15 -0.11 0.40 -0.34 0.00 0.00 178.44 178.47 2k7o h ILE 11 N 0.24 0.77 -1.00 4.05 2.04 -1.17 0.68 117.51 123.13 2k7o h ILE 11 Ca 0.07 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.94 2k7o h ILE 11 Cb -0.02 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 36.78 2k7o h ILE 11 CO -0.02 0.00 0.66 -0.78 0.00 0.00 0.00 178.15 178.01 2k7o h ASP 12 N -0.31 1.15 -0.32 1.72 1.82 -1.28 -0.39 116.42 118.82 2k7o h ASP 12 Ca -0.03 -0.03 -0.14 0.00 -0.39 0.00 0.00 57.03 56.44 2k7o h ASP 12 Cb 0.24 -0.29 -0.00 0.00 0.68 0.00 0.00 39.33 39.95 2k7o h ASP 12 CO 0.05 0.83 -0.35 0.58 -1.61 0.00 0.00 179.24 178.74 2k7o h VAL 13 N 1.35 1.29 0.59 2.25 2.07 -0.40 -2.38 116.25 121.03 2k7o h VAL 13 Ca 0.36 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.33 2k7o h VAL 13 Cb -0.15 1.53 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2k7o h VAL 13 CO -0.08 0.50 -0.29 0.15 0.02 0.00 0.00 177.57 177.87 2k7o h PHE 14 N 0.56 -0.74 -0.71 1.57 3.57 0.94 -1.37 116.94 120.76 2k7o h PHE 14 Ca 0.05 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.54 2k7o h PHE 14 Cb 0.93 0.24 -0.04 0.00 2.79 0.00 0.00 35.95 39.88 2k7o h PHE 14 CO 0.07 -0.42 0.47 1.25 -2.23 0.00 0.00 178.31 177.46 2k7o h HIS 15 N -0.93 0.90 -0.33 0.41 2.76 -1.16 0.70 115.15 117.49 2k7o h HIS 15 Ca -0.08 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 57.96 2k7o h HIS 15 Cb 0.65 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 2k7o h HIS 15 CO -0.01 0.56 -0.37 1.96 -1.30 0.00 0.00 177.93 178.77 2k7o h GLN 16 N 0.97 0.83 -0.03 5.26 1.08 -1.45 0.20 115.11 121.97 2k7o h GLN 16 Ca 0.26 -0.46 -0.03 0.00 -1.45 0.00 0.00 58.65 56.98 2k7o h GLN 16 Cb -0.11 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.34 2k7o h GLN 16 CO -0.06 1.09 -0.08 -0.92 -0.95 0.00 0.00 178.83 177.92 2k7o h TYR 17 N 0.62 0.15 0.00 2.96 5.03 -1.02 -3.11 116.97 121.59 2k7o h TYR 17 Ca 0.05 -0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 2k7o h TYR 17 Cb 0.96 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 39.21 2k7o h TYR 17 CO 0.07 0.68 -0.01 0.66 -1.32 0.00 0.00 178.16 178.24 2k7o h SER 18 N -0.43 0.00 -0.24 -2.11 4.64 0.37 -2.71 113.55 113.06 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 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 2k7o h SER 18 CO 0.02 0.01 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 2k7o n GLY 19 N 0.03 2.10 0.09 -0.77 0.00 0.71 -4.10 105.19 103.25 2k7o n GLY 19 Ca 0.01 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 2k7o n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k7o h ARG 20 N 1.68 0.00 -3.86 1.61 3.08 -1.53 -3.48 114.38 111.88 2k7o h ARG 20 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 2k7o h ARG 20 Cb 1.11 0.00 -0.22 0.00 0.08 0.00 0.00 29.97 30.94 2k7o h ARG 20 CO 0.20 0.86 -0.67 -2.00 -1.07 0.00 0.00 179.97 177.30 2k7o s GLU 21 N -2.26 0.28 0.00 0.04 2.56 -1.26 -5.12 118.70 112.94 2k7o s GLU 21 Ca -0.23 -0.46 0.00 0.00 0.00 0.00 0.00 54.97 54.28 2k7o s GLU 21 Cb 0.02 0.11 0.00 0.00 2.00 0.00 0.00 34.13 36.26 2k7o s GLU 21 CO 0.56 -0.05 0.00 0.41 -0.56 0.00 0.00 175.26 175.62 2k7o n GLY 22 N 1.85 0.69 0.49 -1.50 0.00 -1.26 -4.81 105.19 100.64 2k7o n GLY 22 Ca -0.22 -2.22 -0.19 0.00 0.00 0.00 0.00 46.02 43.39 2k7o n GLY 22 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k7o h ASP 23 N 0.00 -1.03 0.00 1.61 1.82 -1.92 -3.48 116.42 113.42 2k7o h ASP 23 Ca 0.00 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 2k7o h ASP 23 Cb 0.00 0.27 0.00 0.00 0.68 0.00 0.00 39.33 40.28 2k7o h ASP 23 CO 0.00 -0.69 0.00 1.17 -1.61 0.00 0.00 179.24 178.11 2k7o n LYS 24 N -5.58 0.00 -0.37 0.28 4.81 -1.26 -4.97 118.16 111.06 2k7o n LYS 24 Ca -0.15 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.37 2k7o n LYS 24 Cb 0.48 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.76 2k7o n LYS 24 CO 0.00 0.00 0.00 -2.39 1.17 0.00 0.00 177.40 176.18 2k7o n HIS 25 N -2.57 0.81 -4.28 5.64 1.44 -1.26 -4.13 115.22 110.88 2k7o n HIS 25 Ca 0.00 -0.77 -0.34 0.00 -2.01 0.00 0.00 57.72 54.60 2k7o n HIS 25 Cb 0.00 -0.23 -0.12 0.00 0.12 0.00 0.00 29.99 29.76 2k7o n HIS 25 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 2k7o s LYS 26 N -2.29 3.73 -0.21 -1.40 -2.85 -1.26 -4.31 119.74 111.15 2k7o s LYS 26 Ca 0.37 -0.48 -0.09 0.00 -1.00 0.00 0.00 55.97 54.77 2k7o s LYS 26 Cb 0.28 -2.99 -0.04 0.00 -2.06 0.00 0.00 37.83 33.01 2k7o s LYS 26 CO 0.11 0.22 0.10 -0.51 0.10 0.00 0.00 175.35 175.37 2k7o s LEU 27 N 0.44 3.91 0.46 2.77 1.43 -1.20 -4.64 118.68 121.84 2k7o s LEU 27 Ca -0.02 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 2k7o s LEU 27 Cb -0.14 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.07 2k7o s LEU 27 CO 0.02 0.12 0.65 -0.54 0.23 0.00 0.00 176.35 176.84 2k7o s LYS 28 N 0.71 2.87 0.25 1.70 1.02 -1.26 -2.28 119.74 122.76 2k7o s LYS 28 Ca 0.05 -0.78 -0.04 0.00 0.02 0.00 0.00 55.97 55.23 2k7o s LYS 28 Cb -0.13 -2.61 0.39 0.00 -0.52 0.00 0.00 37.83 34.96 2k7o s LYS 28 CO 0.02 -0.35 1.86 -0.22 -0.92 0.00 0.00 175.35 175.73 2k7o h LYS 29 N 0.41 1.00 -0.38 1.68 3.64 -1.99 0.67 116.57 121.60 2k7o h LYS 29 Ca -0.44 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 58.83 2k7o h LYS 29 Cb 1.27 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 2k7o h LYS 29 CO 0.53 0.66 0.03 0.66 -2.27 0.00 0.00 179.45 179.06 2k7o h SER 30 N 1.03 0.56 0.34 4.20 4.64 -1.98 -1.58 113.55 120.75 2k7o h SER 30 Ca 0.41 -0.10 -0.12 0.00 -0.47 0.00 0.00 61.79 61.51 2k7o h SER 30 Cb 0.22 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 2k7o h SER 30 CO -0.19 0.61 -0.48 -0.33 -0.87 0.00 0.00 176.83 175.57 2k7o h GLU 31 N 0.57 0.17 -0.37 4.77 5.08 -1.34 -2.92 114.58 120.55 2k7o h GLU 31 Ca 0.12 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 2k7o h GLU 31 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2k7o h GLU 31 CO 0.01 0.62 -0.37 1.25 -1.00 0.00 0.00 179.01 179.51 2k7o h LEU 32 N 0.13 0.96 -0.90 1.33 5.85 -0.03 -2.85 115.31 119.81 2k7o h LEU 32 Ca 0.01 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 2k7o h LEU 32 Cb 0.90 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 2k7o h LEU 32 CO 0.07 1.23 0.49 0.50 -0.34 0.00 0.00 178.44 180.40 2k7o h LYS 33 N 0.71 1.25 -0.33 1.25 3.64 -1.25 -1.93 116.57 119.90 2k7o h LYS 33 Ca 0.06 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2k7o h LYS 33 Cb 0.97 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2k7o h LYS 33 CO 0.09 0.91 0.17 0.93 -2.27 0.00 0.00 179.45 179.29 2k7o h GLU 34 N 1.26 0.47 -0.37 1.90 5.08 -1.43 -1.37 114.58 120.13 2k7o h GLU 34 Ca 0.32 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 2k7o h GLU 34 Cb 0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2k7o h GLU 34 CO -0.05 0.42 0.24 1.25 -1.00 0.00 0.00 179.01 179.87 2k7o h LEU 35 N 0.41 0.42 -0.71 1.33 5.85 -1.25 0.15 115.31 121.51 2k7o h LEU 35 Ca 0.12 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 2k7o h LEU 35 Cb 0.09 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 2k7o h LEU 35 CO -0.02 0.32 0.41 0.40 -0.34 0.00 0.00 178.44 179.22 2k7o h ILE 36 N 0.49 1.21 -0.38 4.05 2.04 -1.15 -0.23 117.51 123.54 2k7o h ILE 36 Ca 0.13 -0.49 -0.16 0.00 1.00 0.00 0.00 64.86 65.34 2k7o h ILE 36 Cb -0.04 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.27 2k7o h ILE 36 CO -0.03 0.22 -0.40 0.78 0.00 0.00 0.00 178.15 178.73 2k7o h ASN 37 N 0.98 1.00 0.16 1.72 -0.26 -0.83 -3.35 115.58 115.00 2k7o h ASN 37 Ca 0.25 -0.47 -0.01 0.00 -0.56 0.00 0.00 56.30 55.52 2k7o h ASN 37 Cb -0.00 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 36.97 2k7o h ASN 37 CO -0.05 1.27 -0.08 -1.13 -1.06 0.00 0.00 177.43 176.39 2k7o h ASN 38 N 0.76 -0.18 0.00 5.81 -1.24 -0.44 -3.46 115.58 116.83 2k7o h ASN 38 Ca 0.06 -0.15 0.00 0.00 0.71 0.00 0.00 56.30 56.91 2k7o h ASN 38 Cb 1.00 0.05 0.00 0.00 0.73 0.00 0.00 38.32 40.09 2k7o h ASN 38 CO 0.10 0.35 0.00 -0.62 -1.29 0.00 0.00 177.43 175.97 2k7o n GLU 39 N -4.91 0.00 -1.79 6.67 1.02 -0.12 -4.89 120.64 116.63 2k7o n GLU 39 Ca -0.05 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.67 2k7o n GLU 39 Cb 0.16 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.55 2k7o n GLU 39 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k7o s LEU 40 N 0.00 4.37 0.00 -4.62 1.43 -1.26 -4.78 118.68 113.83 2k7o s LEU 40 Ca 0.00 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 2k7o s LEU 40 Cb 0.00 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2k7o s LEU 40 CO 0.00 -0.94 0.00 -1.20 0.23 0.00 0.00 176.35 174.44 2k7o n SER 41 N 4.20 0.00 0.27 2.29 7.64 -1.26 -4.37 113.62 122.40 2k7o n SER 41 Ca 0.16 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.21 2k7o n SER 41 Cb 0.36 0.19 0.65 0.00 -1.01 0.00 0.00 64.21 64.41 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 -0.11 1.43 3.86 -1.95 -2.71 115.15 115.67 2k7o h HIS 42 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2k7o h HIS 42 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2k7o h HIS 42 CO 0.00 0.00 0.00 1.19 0.86 0.00 0.00 177.93 179.98 2k7o n PHE 43 N -3.08 0.11 -4.14 2.45 3.72 -1.26 -4.93 117.46 110.33 2k7o n PHE 43 Ca 0.01 -0.05 -0.16 0.00 -0.05 0.00 0.00 57.45 57.20 2k7o n PHE 43 Cb 0.32 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.74 2k7o n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2k7o s LEU 44 N -1.89 2.30 0.36 4.37 1.43 -1.02 -5.11 118.68 119.12 2k7o s LEU 44 Ca 0.31 -0.65 -0.25 0.00 -1.03 0.00 0.00 54.13 52.51 2k7o s LEU 44 Cb 0.21 -0.35 -0.09 0.00 0.03 0.00 0.00 46.19 45.99 2k7o s LEU 44 CO 0.31 -0.17 1.01 -1.61 0.23 0.00 0.00 176.35 176.12 2k7o s GLU 45 N -1.97 4.39 0.34 1.70 0.41 -1.26 -4.78 118.70 117.53 2k7o s GLU 45 Ca -0.03 1.47 -0.29 0.00 -0.41 0.00 0.00 54.97 55.72 2k7o s GLU 45 Cb -0.08 -2.72 -0.11 0.00 -1.78 0.00 0.00 34.13 29.45 2k7o s GLU 45 CO 0.01 0.07 1.40 -1.83 -0.49 0.00 0.00 175.26 174.42 2k7o s GLU 46 N -2.21 4.24 -0.26 1.61 -1.05 -1.26 -4.97 118.70 114.80 2k7o s GLU 46 Ca 0.53 2.38 -0.13 0.00 -0.15 0.00 0.00 54.97 57.61 2k7o s GLU 46 Cb -0.22 -3.03 -0.04 0.00 -0.44 0.00 0.00 34.13 30.40 2k7o s GLU 46 CO 0.27 -0.36 0.27 0.42 0.95 0.00 0.00 175.26 176.81 2k7o s ILE 47 N -1.02 5.26 -0.14 1.83 1.01 -1.26 -4.94 121.20 121.93 2k7o s ILE 47 Ca 0.52 0.36 0.16 0.00 0.00 0.00 0.00 60.65 61.69 2k7o s ILE 47 Cb -0.43 -3.60 -0.22 0.00 0.01 0.00 0.00 42.46 38.21 2k7o s ILE 47 CO 0.56 0.23 0.12 1.17 0.00 0.00 0.00 174.94 177.02 2k7o n LYS 48 N 5.02 1.11 -5.15 2.79 4.81 -1.26 -4.96 118.16 120.52 2k7o n LYS 48 Ca -0.12 -0.04 -0.30 0.00 -0.87 0.00 0.00 58.31 56.98 2k7o n LYS 48 Cb 0.51 -1.44 -0.16 0.00 0.02 0.00 0.00 35.03 33.96 2k7o n LYS 48 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2k7o s GLU 49 N -2.56 2.47 0.26 1.64 2.12 -1.26 -5.02 118.70 116.35 2k7o s GLU 49 Ca -0.08 -0.83 -0.05 0.00 0.36 0.00 0.00 54.97 54.38 2k7o s GLU 49 Cb 0.06 -2.04 0.31 0.00 0.26 0.00 0.00 34.13 32.72 2k7o s GLU 49 CO 0.71 0.31 1.92 1.96 -0.54 0.00 0.00 175.26 179.61 2k7o h GLN 50 N 6.25 1.21 -1.32 4.30 7.50 -2.01 -2.03 115.11 129.01 2k7o h GLN 50 Ca -0.30 -0.10 0.38 0.00 0.50 0.00 0.00 58.65 59.14 2k7o h GLN 50 Cb 1.19 -0.26 -0.08 0.00 0.05 0.00 0.00 27.48 28.38 2k7o h GLN 50 CO 0.47 0.83 0.92 1.49 -1.50 0.00 0.00 178.83 181.04 2k7o h GLU 51 N 1.23 0.09 -0.16 1.46 4.81 -2.00 2.02 114.58 122.02 2k7o h GLU 51 Ca 0.33 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 2k7o h GLU 51 Cb -0.08 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 2k7o h GLU 51 CO -0.06 0.06 -0.28 0.28 -0.73 0.00 0.00 179.01 178.27 2k7o h VAL 52 N 0.09 1.26 -0.42 0.32 2.07 -1.80 -2.69 116.25 115.08 2k7o h VAL 52 Ca 0.68 -1.23 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 2k7o h VAL 52 Cb 2.43 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 2k7o h VAL 52 CO -0.13 0.38 -0.22 0.58 0.02 0.00 0.00 177.57 178.20 2k7o h VAL 53 N 0.27 1.28 -0.98 2.57 2.07 0.31 -2.80 116.25 118.97 2k7o h VAL 53 Ca 0.04 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.19 2k7o h VAL 53 Cb 0.64 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 2k7o h VAL 53 CO 0.05 0.46 0.64 0.44 0.02 0.00 0.00 177.57 179.18 2k7o h ASP 54 N 0.72 1.13 -0.70 0.57 3.32 -1.12 0.16 116.42 120.50 2k7o h ASP 54 Ca 0.09 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2k7o h ASP 54 Cb 0.79 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 2k7o h ASP 54 CO 0.07 0.83 0.37 0.50 -1.72 0.00 0.00 179.24 179.28 2k7o h LYS 55 N 1.33 0.98 -0.37 3.56 3.64 -1.37 -1.43 116.57 122.92 2k7o h LYS 55 Ca 0.36 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.49 2k7o h LYS 55 Cb -0.14 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.48 2k7o h LYS 55 CO -0.08 0.75 -0.24 0.28 -2.27 0.00 0.00 179.45 177.89 2k7o h VAL 56 N 0.96 1.28 -0.69 2.00 2.07 -1.06 -2.80 116.25 118.01 2k7o h VAL 56 Ca 0.24 -1.39 -0.03 0.00 0.82 0.00 0.00 66.70 66.34 2k7o h VAL 56 Cb 0.07 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2k7o h VAL 56 CO -0.04 0.46 0.31 0.24 0.02 0.00 0.00 177.57 178.57 2k7o h MET 57 N 0.60 1.00 -0.60 1.57 2.86 -0.44 0.24 114.93 120.16 2k7o h MET 57 Ca 0.07 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 2k7o h MET 57 Cb 0.81 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 2k7o h MET 57 CO 0.07 0.81 0.40 1.49 1.06 0.00 0.00 176.91 180.73 2k7o h GLU 58 N 0.96 0.80 -0.37 1.72 4.57 -1.22 0.19 114.58 121.23 2k7o h GLU 58 Ca 0.23 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.20 2k7o h GLU 58 Cb 0.15 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 2k7o h GLU 58 CO -0.03 0.54 -0.40 1.15 -1.18 0.00 0.00 179.01 179.09 2k7o h THR 59 N 0.82 1.27 -0.22 0.32 2.02 -1.18 -3.27 112.91 112.66 2k7o h THR 59 Ca 0.22 -1.58 -0.11 0.00 0.77 0.00 0.00 66.41 65.71 2k7o h THR 59 Cb -0.08 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.74 2k7o h THR 59 CO -0.05 0.53 -0.31 0.25 0.37 0.00 0.00 175.52 176.31 2k7o h LEU 60 N 0.75 0.65 -8.66 2.58 5.85 -0.12 -3.41 115.31 112.95 2k7o h LEU 60 Ca 0.06 -0.51 -0.53 0.00 0.84 0.00 0.00 57.88 57.74 2k7o h LEU 60 Cb 1.00 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 2k7o h LEU 60 CO 0.10 1.04 1.37 -1.81 -0.34 0.00 0.00 178.44 178.80 2k7o s ASP 61 N -6.50 5.38 0.21 1.25 1.01 0.65 -4.82 116.67 113.85 2k7o s ASP 61 Ca -0.13 0.85 -0.08 0.00 0.71 0.00 0.00 52.55 53.91 2k7o s ASP 61 Cb 0.07 -2.52 0.15 0.00 1.01 0.00 0.00 42.92 41.63 2k7o s ASP 61 CO 0.82 -2.19 1.76 -0.08 0.21 0.00 0.00 175.17 175.68 2k7o h GLU 62 N 14.86 1.18 0.00 8.23 4.81 -1.85 -2.54 114.58 139.27 2k7o h GLU 62 Ca -0.29 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2k7o h GLU 62 Cb 1.18 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.38 2k7o h GLU 62 CO 1.13 0.98 -0.60 -0.40 -0.73 0.00 0.00 179.01 179.39 2k7o n ASP 63 N -4.26 0.60 -0.87 1.04 5.75 -1.26 -4.95 116.55 112.59 2k7o n ASP 63 Ca 0.07 -0.03 -0.07 0.00 -0.01 0.00 0.00 54.79 54.76 2k7o n ASP 63 Cb 0.21 0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 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 1.40 0.18 0.00 6.12 0.00 -0.96 -4.91 105.19 107.02 2k7o n GLY 64 Ca 0.04 -0.58 0.15 0.00 0.00 0.00 0.00 46.02 45.64 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 0.65 0.00 0.00 1.61 5.75 -1.26 -4.88 116.55 118.42 2k7o n ASP 65 Ca -0.06 -0.55 0.00 0.00 -0.01 0.00 0.00 54.79 54.17 2k7o n ASP 65 Cb 0.55 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 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 1.14 0.62 3.10 6.12 0.00 -1.26 -4.99 105.19 109.92 2k7o n GLY 66 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 2k7o n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k7o s GLU 67 N -0.22 0.68 -0.37 1.61 2.02 -1.26 -4.52 118.70 116.63 2k7o s GLU 67 Ca 0.00 -1.27 -0.08 0.00 0.02 0.00 0.00 54.97 53.65 2k7o s GLU 67 Cb 0.00 0.20 0.05 0.00 0.10 0.00 0.00 34.13 34.48 2k7o s GLU 67 CO 0.00 -0.14 0.16 0.00 0.02 0.00 0.00 175.26 175.31 2k7o n ASP 69 N 4.86 -0.81 -0.01 0.00 5.75 -1.26 -3.22 116.55 121.86 2k7o n ASP 69 Ca -0.11 -1.27 -0.11 0.00 -0.01 0.00 0.00 54.79 53.29 2k7o n ASP 69 Cb 0.44 -0.88 -0.05 0.00 -1.03 0.00 0.00 41.12 39.60 2k7o n ASP 69 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2k7o h PHE 70 N -2.07 0.14 0.67 2.11 3.57 -1.99 0.30 116.94 119.68 2k7o h PHE 70 Ca -0.37 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.10 2k7o h PHE 70 Cb 1.06 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 39.76 2k7o h PHE 70 CO 0.00 0.12 -0.32 0.37 -2.23 0.00 0.00 178.31 176.25 2k7o h GLN 71 N 0.11 -0.86 -0.65 1.11 -0.00 -1.97 -2.15 115.11 110.71 2k7o h GLN 71 Ca 0.04 0.06 0.01 0.00 -0.00 0.00 0.00 58.65 58.75 2k7o h GLN 71 Cb 0.02 0.20 -0.03 0.00 0.00 0.00 0.00 27.48 27.67 2k7o h GLN 71 CO -0.01 -0.57 0.43 0.93 0.00 0.00 0.00 178.83 179.61 2k7o h GLU 72 N -0.90 0.85 -0.98 1.69 5.08 -1.91 -1.56 114.58 116.85 2k7o h GLU 72 Ca -0.09 -0.05 0.29 0.00 -1.00 0.00 0.00 59.36 58.50 2k7o h GLU 72 Cb 0.69 -0.19 -0.14 0.00 0.50 0.00 0.00 28.75 29.60 2k7o h GLU 72 CO 0.15 0.56 0.52 0.35 -1.00 0.00 0.00 179.01 179.59 2k7o h PHE 73 N 0.88 0.86 0.00 4.33 3.57 -0.12 1.90 116.94 128.35 2k7o h PHE 73 Ca 0.24 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.68 2k7o h PHE 73 Cb -0.10 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 2k7o h PHE 73 CO -0.03 -0.11 -0.46 0.52 -2.23 0.00 0.00 178.31 175.99 2k7o h MET 74 N 0.38 0.00 0.85 1.11 2.86 -0.63 -2.82 114.93 116.68 2k7o h MET 74 Ca 0.68 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 58.28 2k7o h MET 74 Cb 1.45 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.12 2k7o h MET 74 CO -0.58 0.46 -0.41 0.00 1.06 0.00 0.00 176.91 177.45 2k7o h ALA 75 N 1.54 -1.14 -1.01 6.32 0.00 0.32 0.29 119.26 125.58 2k7o h ALA 75 Ca -0.00 -0.25 0.22 0.00 0.00 0.00 0.00 54.91 54.88 2k7o h ALA 75 Cb 0.88 0.44 -0.12 0.00 0.00 0.00 0.00 17.79 18.99 2k7o h ALA 75 CO 0.06 -1.06 0.60 0.35 0.00 0.00 0.00 179.25 179.20 2k7o h PHE 76 N -1.30 1.03 -0.87 0.00 3.04 -1.43 2.16 116.94 119.57 2k7o h PHE 76 Ca -0.12 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.84 2k7o h PHE 76 Cb 0.88 -0.30 -0.04 0.00 2.56 0.00 0.00 35.95 39.04 2k7o h PHE 76 CO -0.00 0.13 0.43 0.28 -2.02 0.00 0.00 178.31 177.14 2k7o h VAL 77 N 0.65 1.26 0.01 1.41 2.07 -1.21 -1.83 116.25 118.61 2k7o h VAL 77 Ca 0.62 -0.71 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2k7o h VAL 77 Cb 1.10 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2k7o h VAL 77 CO -0.43 0.31 -0.00 -1.28 0.02 0.00 0.00 177.57 176.18 2k7o h SER 78 N 1.23 -0.01 -0.98 0.57 0.87 0.67 -2.45 113.55 113.46 2k7o h SER 78 Ca 0.30 -0.63 0.13 0.00 -1.23 0.00 0.00 61.79 60.37 2k7o h SER 78 Cb 0.09 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 61.97 2k7o h SER 78 CO -0.04 0.63 0.61 -0.03 -0.53 0.00 0.00 176.83 177.46 2k7o h MET 79 N -0.65 0.90 0.00 2.24 1.85 0.14 0.53 114.93 119.94 2k7o h MET 79 Ca -0.00 -0.05 -0.08 0.00 -0.61 0.00 0.00 59.70 58.95 2k7o h MET 79 Cb 0.63 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.45 2k7o h MET 79 CO 0.00 0.59 -0.39 0.28 -0.40 0.00 0.00 176.91 176.99 2k7o h VAL 80 N 0.92 1.07 -0.26 -5.77 2.07 -1.38 -1.62 116.25 111.28 2k7o h VAL 80 Ca 0.50 -1.46 -0.08 0.00 0.82 0.00 0.00 66.70 66.48 2k7o h VAL 80 Cb 0.55 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 2k7o h VAL 80 CO -0.29 0.39 -0.17 0.74 0.02 0.00 0.00 177.57 178.26 2k7o h THR 81 N 0.00 1.30 0.24 2.57 2.02 0.50 -2.25 112.91 117.30 2k7o h THR 81 Ca -0.00 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 2k7o h THR 81 Cb 0.81 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.79 2k7o h THR 81 CO 0.05 0.40 -0.12 0.74 0.37 0.00 0.00 175.52 176.97 2k7o h THR 82 N 0.30 0.78 -0.96 3.16 2.02 -0.92 -3.07 112.91 114.22 2k7o h THR 82 Ca 0.05 -0.75 0.28 0.00 0.77 0.00 0.00 66.41 66.76 2k7o h THR 82 Cb 0.69 1.18 -0.14 0.00 -1.74 0.00 0.00 68.15 68.14 2k7o h THR 82 CO 0.05 0.15 0.47 0.00 0.37 0.00 0.00 175.52 176.55 2k7o h ALA 83 N -0.16 1.69 -1.84 6.16 0.00 -1.34 -3.34 119.26 120.42 2k7o h ALA 83 Ca -0.03 0.19 -0.57 0.00 0.00 0.00 0.00 54.91 54.49 2k7o h ALA 83 Cb 0.50 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 2k7o h ALA 83 CO 0.06 -0.47 1.10 0.00 0.00 0.00 0.00 179.25 179.94 2k7o s HIS 85 N 5.57 3.05 0.24 0.00 -3.43 -1.26 -4.92 115.29 114.53 2k7o s HIS 85 Ca 0.65 0.75 -0.31 0.00 -0.80 0.00 0.00 55.06 55.35 2k7o s HIS 85 Cb -0.17 -3.30 -0.12 0.00 -1.43 0.00 0.00 32.58 27.56 2k7o s HIS 85 CO 0.32 -1.52 1.58 -1.91 -2.00 0.00 0.00 174.74 171.20 2k7o n GLU 86 N -3.13 2.48 0.00 -0.38 4.07 -1.26 -4.86 120.64 117.55 2k7o n GLU 86 Ca 0.08 0.89 0.11 0.00 -0.06 0.00 0.00 57.16 58.17 2k7o n GLU 86 Cb 0.60 -2.65 0.07 0.00 -0.06 0.00 0.00 31.44 29.39 2k7o n GLU 86 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 2k7o n PHE 87 N 2.67 0.00 -3.01 4.31 -1.74 -1.26 -4.35 117.46 114.08 2k7o n PHE 87 Ca 0.12 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.60 2k7o n PHE 87 Cb 0.34 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.29 2k7o n PHE 87 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 2k7o s PHE 88 N -2.05 3.29 0.00 2.97 0.08 -1.26 -3.83 117.98 117.18 2k7o s PHE 88 Ca 0.24 0.96 0.00 0.00 0.12 0.00 0.00 56.93 58.25 2k7o s PHE 88 Cb 0.19 -2.95 0.00 0.00 -0.57 0.00 0.00 43.02 39.69 2k7o s PHE 88 CO 0.36 -0.37 0.00 -1.91 -0.10 0.00 0.00 175.22 173.20 2k7o n GLU 89 N 5.86 0.00 -1.64 0.44 2.13 -1.26 -3.37 120.64 122.80 2k7o n GLU 89 Ca 0.02 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.75 2k7o n GLU 89 Cb 0.48 -4.00 -0.03 0.00 0.27 0.00 0.00 31.44 28.16 2k7o n GLU 89 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2k7o n HIS 90 N -2.00 -0.89 -0.12 4.31 8.25 -1.25 -5.20 115.22 118.32 2k7o n HIS 90 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2k7o n HIS 90 Cb 0.00 -2.13 0.00 0.00 1.12 0.00 0.00 29.99 28.98 2k7o n HIS 90 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37