#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a6r s LYS 2 N 0.00 3.91 -0.24 3.17 1.02 -0.51 -4.85 119.74 122.24 2a6r s LYS 2 Ca 0.00 1.52 -0.05 0.00 0.02 0.00 0.00 55.97 57.46 2a6r s LYS 2 Cb 0.00 -2.33 -0.00 0.00 -0.52 0.00 0.00 37.83 34.97 2a6r s LYS 2 CO 0.00 -0.36 -0.00 -1.17 -0.92 0.00 0.00 175.35 172.90 2a6r s LEU 3 N -3.07 3.22 -0.13 3.17 2.96 -1.26 -0.27 118.68 123.30 2a6r s LEU 3 Ca 0.63 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 54.05 2a6r s LEU 3 Cb -0.22 -1.79 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 2a6r s LEU 3 CO 0.26 -0.07 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.46 2a6r s ILE 4 N 1.49 3.08 -0.08 6.68 1.01 0.10 -4.97 121.20 128.51 2a6r s ILE 4 Ca 0.04 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.08 2a6r s ILE 4 Cb -0.15 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 2a6r s ILE 4 CO -0.01 0.52 -0.18 0.26 0.00 0.00 0.00 174.94 175.53 2a6r s TRP 5 N 0.34 2.63 0.75 3.97 0.52 -1.26 -0.07 118.94 125.82 2a6r s TRP 5 Ca -0.11 -0.54 -0.11 0.00 0.02 0.00 0.00 56.10 55.37 2a6r s TRP 5 Cb -0.16 -1.68 0.05 0.00 -1.15 0.00 0.00 33.47 30.53 2a6r s TRP 5 CO 0.06 -0.10 1.13 -1.54 0.02 0.00 0.00 176.95 176.52 2a6r s SER 6 N -0.18 4.94 0.23 2.95 1.04 -1.22 -4.82 113.70 116.64 2a6r s SER 6 Ca -0.02 0.90 -0.06 0.00 0.48 0.00 0.00 55.95 57.25 2a6r s SER 6 Cb -0.14 -1.54 0.30 0.00 0.10 0.00 0.00 66.02 64.75 2a6r s SER 6 CO 0.03 -1.63 1.85 -0.33 0.98 0.00 0.00 173.24 174.14 2a6r h GLU 7 N -0.84 0.92 -0.28 4.02 5.08 -1.97 -1.38 114.58 120.12 2a6r h GLU 7 Ca -0.45 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 57.80 2a6r h GLU 7 Cb 1.30 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2a6r h GLU 7 CO 0.65 0.61 -0.03 0.93 -1.00 0.00 0.00 179.01 180.17 2a6r h GLU 8 N 0.94 0.52 -0.10 2.33 3.07 -1.92 -2.06 114.58 117.36 2a6r h GLU 8 Ca 0.35 -0.18 -0.11 0.00 -0.50 0.00 0.00 59.36 58.93 2a6r h GLU 8 Cb 0.14 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.00 2a6r h GLU 8 CO -0.16 0.69 -0.43 0.66 -1.40 0.00 0.00 179.01 178.37 2a6r h SER 9 N 0.29 0.24 -0.53 1.42 4.64 -1.71 -1.02 113.55 116.88 2a6r h SER 9 Ca 0.08 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.18 2a6r h SER 9 Cb 0.48 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 2a6r h SER 9 CO 0.02 0.64 -0.11 -0.25 -0.87 0.00 0.00 176.83 176.26 2a6r h TRP 10 N 0.19 1.14 -0.50 4.77 2.91 -1.20 -0.72 115.95 122.54 2a6r h TRP 10 Ca 0.01 -0.23 -0.05 0.00 1.13 0.00 0.00 58.89 59.75 2a6r h TRP 10 Cb 0.84 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 29.18 2a6r h TRP 10 CO 0.01 1.05 0.09 -0.44 -1.03 0.00 0.00 178.44 178.13 2a6r h ASP 11 N 0.91 0.73 0.21 2.65 3.32 -1.00 0.28 116.42 123.53 2a6r h ASP 11 Ca 0.14 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2a6r h ASP 11 Cb 0.67 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 2a6r h ASP 11 CO 0.05 0.75 -0.11 0.44 -1.72 0.00 0.00 179.24 178.64 2a6r h ASP 12 N 0.75 -0.28 -0.67 6.45 3.32 -0.66 0.32 116.42 125.65 2a6r h ASP 12 Ca 0.16 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.28 2a6r h ASP 12 Cb 0.33 0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 2a6r h ASP 12 CO 0.00 -0.19 0.39 0.22 -1.72 0.00 0.00 179.24 177.94 2a6r h TYR 13 N -0.31 0.71 -0.77 4.55 3.20 -0.75 -1.59 116.97 122.02 2a6r h TYR 13 Ca -0.03 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2a6r h TYR 13 Cb 0.25 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 2a6r h TYR 13 CO -0.07 0.36 0.35 -0.07 -1.64 0.00 0.00 178.16 177.09 2a6r h LEU 14 N 0.72 1.01 -0.58 2.82 3.38 -0.66 -1.79 115.31 120.22 2a6r h LEU 14 Ca 0.29 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2a6r h LEU 14 Cb 0.14 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2a6r h LEU 14 CO -0.16 0.86 0.38 0.22 0.09 0.00 0.00 178.44 179.83 2a6r h TYR 15 N 1.10 0.72 -0.46 1.13 3.20 -0.08 -2.59 116.97 119.98 2a6r h TYR 15 Ca 0.26 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.07 2a6r h TYR 15 Cb 0.13 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 2a6r h TYR 15 CO 0.01 0.45 -0.05 -1.49 -1.64 0.00 0.00 178.16 175.45 2a6r h TRP 16 N 0.77 0.86 -0.10 -3.82 -0.00 -0.83 0.11 115.95 112.94 2a6r h TRP 16 Ca 0.21 -0.14 -0.01 0.00 -0.00 0.00 0.00 58.89 58.96 2a6r h TRP 16 Cb -0.08 -0.23 -0.01 0.00 -0.00 0.00 0.00 29.16 28.84 2a6r h TRP 16 CO -0.04 0.82 0.03 1.96 -0.00 0.00 0.00 178.44 181.21 2a6r h GLN 17 N 0.73 0.13 0.00 0.49 4.20 -0.99 0.21 115.11 119.89 2a6r h GLN 17 Ca 0.13 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 2a6r h GLN 17 Cb 0.52 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2a6r h GLN 17 CO 0.03 0.12 -1.22 0.93 -0.67 0.00 0.00 178.83 178.02 2a6r h GLU 18 N 0.13 0.00 0.00 1.46 4.39 -1.04 -3.43 114.58 116.10 2a6r h GLU 18 Ca 0.04 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.40 2a6r h GLU 18 Cb 0.04 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.64 2a6r h GLU 18 CO -0.00 0.21 -2.24 2.41 -1.16 0.00 0.00 179.01 178.23 2a6r n THR 19 N -2.85 1.24 -3.22 1.13 -1.04 0.31 -4.99 114.28 104.86 2a6r n THR 19 Ca -0.06 -0.44 -0.02 0.00 -2.04 0.00 0.00 64.05 61.49 2a6r n THR 19 Cb 0.74 -1.37 -0.03 0.00 -1.82 0.00 0.00 70.33 67.86 2a6r n THR 19 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2a6r s ASP 20 N -6.28 -0.72 0.58 8.00 -1.08 0.69 -5.02 116.67 112.85 2a6r s ASP 20 Ca -0.30 -0.12 0.28 0.00 -0.52 0.00 0.00 52.55 51.89 2a6r s ASP 20 Cb 0.08 1.61 1.59 0.00 -1.46 0.00 0.00 42.92 44.74 2a6r s ASP 20 CO 0.48 -0.32 2.07 0.11 0.52 0.00 0.00 175.17 178.03 2a6r h LYS 21 N 8.02 0.00 -0.09 4.34 1.57 -1.85 -0.82 116.57 127.74 2a6r h LYS 21 Ca -0.04 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 2a6r h LYS 21 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 2a6r h LYS 21 CO 0.20 0.00 -0.48 0.00 -0.57 0.00 0.00 179.45 178.60 2a6r h ARG 22 N 0.00 0.23 -0.15 3.15 3.08 -1.95 -1.35 114.38 117.39 2a6r h ARG 22 Ca 0.11 -0.12 -0.21 0.00 0.07 0.00 0.00 59.98 59.83 2a6r h ARG 22 Cb 0.59 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2a6r h ARG 22 CO -0.00 0.66 -0.74 0.82 -1.07 0.00 0.00 179.97 179.65 2a6r h ILE 23 N 0.18 1.31 -0.51 2.04 1.08 -1.50 -1.72 117.51 118.39 2a6r h ILE 23 Ca 0.01 -1.99 -0.01 0.00 -0.39 0.00 0.00 64.86 62.48 2a6r h ILE 23 Cb 0.92 1.98 -0.02 0.00 -3.07 0.00 0.00 36.82 36.62 2a6r h ILE 23 CO 0.07 0.62 0.29 0.58 -0.69 0.00 0.00 178.15 179.02 2a6r h VAL 24 N 0.47 1.17 -0.64 1.67 2.07 -1.33 0.56 116.25 120.23 2a6r h VAL 24 Ca -0.04 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 2a6r h VAL 24 Cb 1.34 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2a6r h VAL 24 CO 0.14 0.18 0.29 0.50 0.02 0.00 0.00 177.57 178.70 2a6r h LYS 25 N 0.68 0.93 -0.29 1.57 3.64 -1.13 0.08 116.57 122.06 2a6r h LYS 25 Ca 0.18 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2a6r h LYS 25 Cb 0.03 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 2a6r h LYS 25 CO -0.03 0.76 0.12 -0.22 -2.27 0.00 0.00 179.45 177.80 2a6r h LYS 26 N 0.89 0.43 -0.23 1.90 1.63 -0.90 -0.36 116.57 119.93 2a6r h LYS 26 Ca 0.22 -0.08 0.04 0.00 -0.85 0.00 0.00 60.65 59.98 2a6r h LYS 26 Cb 0.14 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 2a6r h LYS 26 CO -0.02 0.45 -0.02 0.82 -3.45 0.00 0.00 179.45 177.22 2a6r h ILE 27 N 0.31 0.81 -0.93 2.00 2.04 -0.55 -0.23 117.51 120.97 2a6r h ILE 27 Ca 0.10 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.99 2a6r h ILE 27 Cb 0.18 0.77 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 2a6r h ILE 27 CO -0.01 0.01 0.61 0.78 0.00 0.00 0.00 178.15 179.54 2a6r h ASN 28 N 0.05 0.97 -0.45 1.72 2.35 -0.67 -0.28 115.58 119.26 2a6r h ASN 28 Ca 0.11 -0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 2a6r h ASN 28 Cb 0.15 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 2a6r h ASN 28 CO -0.20 0.64 0.03 -0.08 -1.65 0.00 0.00 177.43 176.17 2a6r h GLU 29 N 1.11 0.77 -0.59 0.81 4.81 -0.27 -0.43 114.58 120.79 2a6r h GLU 29 Ca 0.39 -0.23 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 2a6r h GLU 29 Cb 0.11 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2a6r h GLU 29 CO -0.13 0.82 0.09 -0.07 -0.73 0.00 0.00 179.01 178.99 2a6r h LEU 30 N 0.63 0.95 -0.39 1.64 3.38 -0.51 -0.83 115.31 120.17 2a6r h LEU 30 Ca 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2a6r h LEU 30 Cb 0.44 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2a6r h LEU 30 CO 0.02 0.97 0.17 0.40 0.09 0.00 0.00 178.44 180.09 2a6r h ILE 31 N 0.89 1.18 -0.53 1.22 2.04 -0.90 0.12 117.51 121.53 2a6r h ILE 31 Ca 0.18 -0.54 0.01 0.00 1.00 0.00 0.00 64.86 65.51 2a6r h ILE 31 Cb 0.43 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 2a6r h ILE 31 CO 0.01 0.20 0.34 0.50 0.00 0.00 0.00 178.15 179.20 2a6r h LYS 32 N 0.49 0.67 -0.63 2.37 3.64 -0.86 -1.42 116.57 120.82 2a6r h LYS 32 Ca 0.13 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2a6r h LYS 32 Cb 0.15 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2a6r h LYS 32 CO -0.01 0.44 0.16 0.22 -2.27 0.00 0.00 179.45 177.99 2a6r h ASP 33 N 0.69 0.96 -0.36 4.20 3.58 -0.85 -2.72 116.42 121.92 2a6r h ASP 33 Ca 0.20 -0.23 -0.02 0.00 0.42 0.00 0.00 57.03 57.40 2a6r h ASP 33 Cb -0.05 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.73 2a6r h ASP 33 CO -0.06 0.94 0.16 0.74 -2.88 0.00 0.00 179.24 178.14 2a6r h THR 34 N 0.93 1.16 -0.38 2.25 2.02 -0.33 -0.60 112.91 117.95 2a6r h THR 34 Ca 0.20 -0.49 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 2a6r h THR 34 Cb 0.35 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2a6r h THR 34 CO 0.00 0.19 0.01 0.03 0.37 0.00 0.00 175.52 176.13 2a6r h ARG 35 N 0.58 0.60 0.36 6.66 3.08 -0.96 0.49 114.38 125.18 2a6r h ARG 35 Ca 0.14 -0.13 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2a6r h ARG 35 Cb 0.12 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2a6r h ARG 35 CO -0.01 0.61 -0.17 -0.09 -1.07 0.00 0.00 179.97 179.24 2a6r h ARG 36 N 0.57 -0.46 -2.89 0.04 2.43 -1.14 -3.42 114.38 109.51 2a6r h ARG 36 Ca 0.12 0.03 -0.59 0.00 -0.81 0.00 0.00 59.98 58.74 2a6r h ARG 36 Cb 0.34 0.10 -0.40 0.00 -0.42 0.00 0.00 29.97 29.60 2a6r h ARG 36 CO 0.01 -0.25 -0.79 0.95 -1.51 0.00 0.00 179.97 178.39 2a6r s THR 37 N -3.33 0.68 0.42 0.20 -4.23 -0.32 -5.03 115.64 104.04 2a6r s THR 37 Ca -0.09 -1.88 0.25 0.00 -1.18 0.00 0.00 61.69 58.79 2a6r s THR 37 Cb 0.01 -1.50 0.45 0.00 1.34 0.00 0.00 72.50 72.80 2a6r s THR 37 CO 0.28 -0.89 1.69 -0.65 -0.54 0.00 0.00 174.62 174.52 2a6r h PRO 38 N 7.20 0.21 -0.13 3.99 0.11 -1.11 -2.29 132.00 139.98 2a6r h PRO 38 Ca -0.02 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2a6r h PRO 38 Cb 0.96 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.03 2a6r h PRO 38 CO 0.39 0.14 0.00 1.19 -0.21 0.00 0.00 178.00 179.51 2a6r n PHE 39 N -4.65 0.25 -4.32 0.65 3.01 -1.26 -4.88 117.46 106.26 2a6r n PHE 39 Ca 0.32 -0.63 -0.17 0.00 1.01 0.00 0.00 57.45 57.98 2a6r n PHE 39 Cb 1.18 -0.09 -0.10 0.00 -0.01 0.00 0.00 39.48 40.46 2a6r n PHE 39 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2a6r s GLU 40 N -1.56 1.39 0.48 -1.08 2.02 -0.86 -4.72 118.70 114.37 2a6r s GLU 40 Ca 0.17 -1.74 0.00 0.00 0.02 0.00 0.00 54.97 53.43 2a6r s GLU 40 Cb 0.13 -0.35 0.00 0.00 0.10 0.00 0.00 34.13 34.01 2a6r s GLU 40 CO 0.06 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.50 2a6r n GLY 41 N -0.45 1.01 3.77 -1.39 0.00 -1.26 -4.74 105.19 102.12 2a6r n GLY 41 Ca -0.01 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 2a6r n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2a6r s LYS 42 N 0.00 3.92 0.00 1.61 1.02 -1.26 -3.48 119.74 121.56 2a6r s LYS 42 Ca 0.00 2.31 0.00 0.00 0.02 0.00 0.00 55.97 58.30 2a6r s LYS 42 Cb 0.00 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.53 2a6r s LYS 42 CO 0.00 -0.58 0.00 0.41 -0.92 0.00 0.00 175.35 174.26 2a6r n GLY 43 N 0.62 0.53 3.42 -3.33 0.00 -1.26 -4.32 105.19 100.85 2a6r n GLY 43 Ca 0.03 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2a6r n GLY 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2a6r n LYS 44 N -2.91 -1.41 -1.71 1.61 4.81 -1.23 -0.61 118.16 116.71 2a6r n LYS 44 Ca 0.00 1.05 -0.42 0.00 -0.87 0.00 0.00 58.31 58.07 2a6r n LYS 44 Cb 0.00 -4.28 -0.03 0.00 0.02 0.00 0.00 35.03 30.74 2a6r n LYS 44 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 2a6r n PRO 45 N -2.50 2.78 -3.89 1.64 -0.02 -1.26 -4.66 135.00 127.08 2a6r n PRO 45 Ca -0.13 1.00 -0.11 0.00 -2.02 0.00 0.00 63.50 62.24 2a6r n PRO 45 Cb 0.59 -2.86 -0.12 0.00 -0.02 0.00 0.00 33.50 31.09 2a6r n PRO 45 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2a6r s GLU 46 N 1.53 0.26 0.15 -0.52 -1.05 -0.60 -4.92 118.70 113.55 2a6r s GLU 46 Ca 0.77 -0.24 -0.30 0.00 -0.15 0.00 0.00 54.97 55.04 2a6r s GLU 46 Cb -0.50 0.10 -0.08 0.00 -0.44 0.00 0.00 34.13 33.21 2a6r s GLU 46 CO 0.33 -0.05 1.27 -2.14 0.95 0.00 0.00 175.26 175.63 2a6r s PRO 47 N -0.78 4.41 0.58 -4.83 0.02 -1.26 -1.12 135.00 132.02 2a6r s PRO 47 Ca -0.09 1.95 -0.05 0.00 0.02 0.00 0.00 61.00 62.84 2a6r s PRO 47 Cb -0.05 -3.25 0.01 0.00 0.02 0.00 0.00 34.50 31.23 2a6r s PRO 47 CO 0.00 -0.25 0.87 -0.51 -0.33 0.00 0.00 177.00 176.78 2a6r s LEU 48 N 0.38 3.26 0.38 -5.54 1.43 0.20 -4.93 118.68 113.86 2a6r s LEU 48 Ca 0.58 0.61 0.04 0.00 -1.03 0.00 0.00 54.13 54.32 2a6r s LEU 48 Cb -0.34 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 2a6r s LEU 48 CO 0.34 -1.06 0.08 -0.54 0.23 0.00 0.00 176.35 175.40 2a6r s LYS 49 N -4.94 1.82 4.36 1.70 1.02 -1.26 -4.21 119.74 118.22 2a6r s LYS 49 Ca 0.54 -2.07 0.00 0.00 0.02 0.00 0.00 55.97 54.46 2a6r s LYS 49 Cb -0.10 -0.84 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 2a6r s LYS 49 CO 0.44 -0.32 0.00 0.72 -0.92 0.00 0.00 175.35 175.27 2a6r n HIS 50 N -0.83 0.00 -0.02 3.18 8.25 -1.26 -1.23 115.22 123.31 2a6r n HIS 50 Ca -0.05 0.00 0.23 0.00 -0.26 0.00 0.00 57.72 57.64 2a6r n HIS 50 Cb 0.66 0.00 0.72 0.00 1.12 0.00 0.00 29.99 32.49 2a6r n HIS 50 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 2a6r h ASN 51 N 0.00 0.00 -0.42 0.41 4.21 -2.06 0.64 115.58 118.36 2a6r h ASN 51 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2a6r h ASN 51 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2a6r h ASN 51 CO 0.00 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.32 2a6r n LEU 52 N -4.08 4.41 -4.70 1.61 4.77 -0.36 -5.00 117.00 113.65 2a6r n LEU 52 Ca 0.12 -2.77 -0.44 0.00 -0.03 0.00 0.00 56.01 52.89 2a6r n LEU 52 Cb 0.73 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2a6r n LEU 52 CO 0.34 0.70 1.06 -0.24 -1.33 0.00 0.00 177.39 177.92 2a6r n SER 53 N 0.20 3.07 0.00 -1.43 2.88 0.22 -1.50 113.62 117.06 2a6r n SER 53 Ca 0.23 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.92 2a6r n SER 53 Cb 0.92 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 2a6r n SER 53 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2a6r n GLY 54 N 1.92 2.77 3.79 0.46 0.00 -1.26 -4.98 105.19 107.90 2a6r n GLY 54 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 2a6r n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a6r s PHE 55 N -2.65 3.01 0.24 1.61 0.40 -0.56 -4.65 117.98 115.38 2a6r s PHE 55 Ca 0.00 -0.15 0.10 0.00 -0.60 0.00 0.00 56.93 56.28 2a6r s PHE 55 Cb 0.00 -1.39 -0.05 0.00 0.51 0.00 0.00 43.02 42.10 2a6r s PHE 55 CO 0.00 0.52 -0.18 -1.58 0.70 0.00 0.00 175.22 174.68 2a6r s TRP 56 N -2.19 2.01 0.02 0.36 0.52 0.18 -0.62 118.94 119.21 2a6r s TRP 56 Ca 0.33 -0.44 0.02 0.00 0.02 0.00 0.00 56.10 56.03 2a6r s TRP 56 Cb -0.07 -0.91 -0.01 0.00 -1.15 0.00 0.00 33.47 31.33 2a6r s TRP 56 CO 0.24 0.53 -0.07 0.45 0.02 0.00 0.00 176.95 178.12 2a6r s SER 57 N -3.34 0.81 0.04 2.95 0.15 -0.27 -0.79 113.70 113.25 2a6r s SER 57 Ca 0.26 -0.30 0.04 0.00 0.70 0.00 0.00 55.95 56.64 2a6r s SER 57 Cb -0.03 -0.03 -0.02 0.00 -1.71 0.00 0.00 66.02 64.22 2a6r s SER 57 CO 0.11 -0.04 -0.12 -0.13 1.20 0.00 0.00 173.24 174.26 2a6r s ARG 58 N -0.77 0.77 -0.06 5.44 0.52 -0.70 -1.55 118.95 122.61 2a6r s ARG 58 Ca -0.03 -0.74 -0.30 0.00 -0.52 0.00 0.00 55.73 54.15 2a6r s ARG 58 Cb -0.06 -0.73 -0.02 0.00 0.52 0.00 0.00 34.95 34.66 2a6r s ARG 58 CO 0.00 0.17 1.01 1.03 0.02 0.00 0.00 175.30 177.53 2a6r s ARG 59 N -1.24 4.47 -0.22 3.54 0.52 0.22 -0.73 118.95 125.51 2a6r s ARG 59 Ca -0.02 1.43 -0.18 0.00 -0.52 0.00 0.00 55.73 56.44 2a6r s ARG 59 Cb -0.08 -3.50 -0.15 0.00 0.52 0.00 0.00 34.95 31.74 2a6r s ARG 59 CO 0.01 -0.21 -0.03 -0.89 0.02 0.00 0.00 175.30 174.20 2a6r n ILE 60 N 4.27 1.52 -3.89 1.52 5.41 -0.20 -4.59 119.36 123.41 2a6r n ILE 60 Ca 0.08 -0.11 -0.06 0.00 1.00 0.00 0.00 62.75 63.66 2a6r n ILE 60 Cb 0.49 -2.04 -0.02 0.00 -0.71 0.00 0.00 39.64 37.37 2a6r n ILE 60 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2a6r n THR 61 N -4.40 0.00 -0.05 1.39 -2.24 -0.91 -4.98 114.28 103.09 2a6r n THR 61 Ca -0.36 -0.73 -0.01 0.00 -2.27 0.00 0.00 64.05 60.68 2a6r n THR 61 Cb 0.70 0.41 0.26 0.00 -2.10 0.00 0.00 70.33 69.60 2a6r n THR 61 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2a6r h GLU 62 N 0.00 0.65 0.00 -0.78 3.07 -2.02 -3.23 114.58 112.27 2a6r h GLU 62 Ca -0.09 -0.13 -0.26 0.00 -0.50 0.00 0.00 59.36 58.38 2a6r h GLU 62 Cb 0.43 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.19 2a6r h GLU 62 CO 0.13 0.62 -1.79 0.39 -1.40 0.00 0.00 179.01 176.95 2a6r n GLU 63 N -4.29 0.64 -4.65 2.33 1.02 -1.26 -4.95 120.64 109.47 2a6r n GLU 63 Ca 0.03 0.18 -0.34 0.00 -0.02 0.00 0.00 57.16 57.01 2a6r n GLU 63 Cb 0.22 -1.72 -0.12 0.00 -0.02 0.00 0.00 31.44 29.80 2a6r n GLU 63 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2a6r s HIS 64 N -2.72 2.91 0.05 -0.32 3.76 -1.22 -3.50 115.29 114.25 2a6r s HIS 64 Ca -0.06 -0.02 0.07 0.00 -0.15 0.00 0.00 55.06 54.90 2a6r s HIS 64 Cb 0.08 -1.71 -0.03 0.00 1.11 0.00 0.00 32.58 32.03 2a6r s HIS 64 CO 0.83 0.30 -0.18 1.03 -0.85 0.00 0.00 174.74 175.86 2a6r s ARG 65 N -0.75 1.19 -0.44 1.40 1.81 0.03 -1.03 118.95 121.16 2a6r s ARG 65 Ca 0.11 -0.91 -0.19 0.00 -1.72 0.00 0.00 55.73 53.03 2a6r s ARG 65 Cb -0.11 -1.29 0.03 0.00 -0.45 0.00 0.00 34.95 33.13 2a6r s ARG 65 CO 0.01 0.32 0.57 -1.17 -0.68 0.00 0.00 175.30 174.35 2a6r s LEU 66 N -1.26 4.71 -0.21 2.53 2.96 0.09 -3.70 118.68 123.80 2a6r s LEU 66 Ca 0.05 -0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 53.32 2a6r s LEU 66 Cb -0.09 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.00 2a6r s LEU 66 CO 0.02 -0.73 0.12 -0.69 -1.32 0.00 0.00 176.35 173.75 2a6r s VAL 67 N 2.55 5.13 0.21 1.68 1.01 0.19 -1.72 120.40 129.46 2a6r s VAL 67 Ca 0.18 0.10 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 2a6r s VAL 67 Cb -0.16 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 2a6r s VAL 67 CO 0.16 0.41 0.36 -0.72 0.00 0.00 0.00 175.10 175.30 2a6r s TYR 68 N 0.69 0.51 0.04 5.22 -0.85 0.03 0.26 117.35 123.25 2a6r s TYR 68 Ca 0.06 -0.85 0.04 0.00 -0.52 0.00 0.00 57.07 55.80 2a6r s TYR 68 Cb -0.13 -0.02 -0.02 0.00 0.38 0.00 0.00 41.96 42.17 2a6r s TYR 68 CO 0.01 -0.85 -0.11 0.00 -1.52 0.00 0.00 175.55 173.09 2a6r s ALA 69 N -4.03 0.88 -0.08 9.51 0.00 -0.15 0.48 121.76 128.37 2a6r s ALA 69 Ca 0.24 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.46 2a6r s ALA 69 Cb 0.02 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 2a6r s ALA 69 CO 0.07 0.11 -0.24 0.08 0.00 0.00 0.00 175.76 175.78 2a6r s VAL 70 N -1.08 2.14 0.52 0.00 1.01 -1.26 -0.86 120.40 120.88 2a6r s VAL 70 Ca -0.04 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.95 2a6r s VAL 70 Cb -0.09 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.50 2a6r s VAL 70 CO 0.01 0.56 0.08 0.42 0.00 0.00 0.00 175.10 176.18 2a6r s THR 71 N 0.06 1.22 0.54 3.92 -4.23 0.03 -5.00 115.64 112.18 2a6r s THR 71 Ca -0.10 -1.90 0.38 0.00 -1.18 0.00 0.00 61.69 58.88 2a6r s THR 71 Cb -0.16 -2.12 0.40 0.00 1.34 0.00 0.00 72.50 71.96 2a6r s THR 71 CO 0.06 0.00 2.25 0.44 -0.54 0.00 0.00 174.62 176.83 2a6r h ASP 72 N 1.21 0.00 0.00 3.99 3.32 -2.04 -3.21 116.42 119.70 2a6r h ASP 72 Ca -0.43 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.62 2a6r h ASP 72 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 2a6r h ASP 72 CO 0.71 0.02 -0.04 -0.90 -1.72 0.00 0.00 179.24 177.31 2a6r n ASP 73 N -3.33 0.35 -3.72 6.45 5.75 -1.26 -5.04 116.55 115.75 2a6r n ASP 73 Ca -0.02 -1.27 -0.12 0.00 -0.01 0.00 0.00 54.79 53.37 2a6r n ASP 73 Cb 0.13 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.13 2a6r n ASP 73 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2a6r s SER 74 N -0.28 -0.16 -0.20 -1.12 1.04 -1.22 -1.43 113.70 110.33 2a6r s SER 74 Ca 0.01 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.27 2a6r s SER 74 Cb 0.00 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.54 2a6r s SER 74 CO 0.00 -0.66 -0.17 -0.22 0.98 0.00 0.00 173.24 173.16 2a6r s LEU 75 N -2.18 2.50 -0.24 2.42 2.96 0.63 -0.79 118.68 123.98 2a6r s LEU 75 Ca -0.04 -0.86 -0.08 0.00 -0.22 0.00 0.00 54.13 52.94 2a6r s LEU 75 Cb -0.00 -1.50 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 2a6r s LEU 75 CO -0.05 -0.05 0.10 -0.22 -1.32 0.00 0.00 176.35 174.81 2a6r s LEU 76 N 1.24 3.68 -0.36 -0.68 2.96 -0.04 0.03 118.68 125.51 2a6r s LEU 76 Ca 0.01 -0.08 -0.18 0.00 -0.22 0.00 0.00 54.13 53.65 2a6r s LEU 76 Cb -0.15 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.56 2a6r s LEU 76 CO -0.11 0.01 0.53 -0.63 -1.32 0.00 0.00 176.35 174.83 2a6r s ILE 77 N 1.34 5.00 -0.10 6.68 -1.09 0.90 -0.97 121.20 132.95 2a6r s ILE 77 Ca 0.06 0.28 0.16 0.00 -2.23 0.00 0.00 60.65 58.91 2a6r s ILE 77 Cb -0.15 -4.00 -0.16 0.00 -1.58 0.00 0.00 42.46 36.57 2a6r s ILE 77 CO 0.05 -0.28 0.79 0.00 -1.23 0.00 0.00 174.94 174.27 2a6r h ALA 78 N 8.52 0.69 -1.64 9.38 0.00 -0.50 -3.22 119.26 132.49 2a6r h ALA 78 Ca -0.27 -1.02 0.13 0.00 0.00 0.00 0.00 54.91 53.75 2a6r h ALA 78 Cb 1.12 0.33 -0.21 0.00 0.00 0.00 0.00 17.79 19.03 2a6r h ALA 78 CO 0.79 1.10 0.62 0.00 0.00 0.00 0.00 179.25 181.76 2a6r s ALA 79 N -2.83 -1.95 -0.02 0.00 0.00 -0.99 -4.34 121.76 111.63 2a6r s ALA 79 Ca -0.03 1.51 0.19 0.00 0.00 0.00 0.00 51.96 53.63 2a6r s ALA 79 Cb 0.08 -0.49 0.33 0.00 0.00 0.00 0.00 23.12 23.04 2a6r s ALA 79 CO 0.81 -0.42 1.13 0.00 0.00 0.00 0.00 175.76 177.29 2a6r s ARG 81 N -0.22 0.42 1.03 0.00 3.52 -1.24 -4.76 118.95 117.70 2a6r s ARG 81 Ca 0.25 0.58 0.00 0.00 -0.13 0.00 0.00 55.73 56.42 2a6r s ARG 81 Cb 0.29 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.83 2a6r s ARG 81 CO -0.12 -0.08 0.00 0.66 -0.81 0.00 0.00 175.30 174.95 2a6r n TYR 82 N 3.21 -2.18 0.46 5.12 0.53 -1.26 -3.96 117.16 119.08 2a6r n TYR 82 Ca -0.16 0.45 0.12 0.00 -1.02 0.00 0.00 57.90 57.29 2a6r n TYR 82 Cb 0.57 -0.73 0.47 0.00 -1.03 0.00 0.00 39.34 38.62 2a6r n TYR 82 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 2a6r n HIS 83 N -1.93 0.78 0.00 -0.72 8.25 -1.23 -0.79 115.22 119.58 2a6r n HIS 83 Ca 0.00 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 2a6r n HIS 83 Cb 0.16 -0.96 0.00 0.00 1.12 0.00 0.00 29.99 30.31 2a6r n HIS 83 CO 0.00 0.00 0.00 2.48 0.64 0.00 0.00 176.34 179.46