#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 4.37 -0.27 2.12 1.02 -0.17 -4.83 119.74 121.98 2a6r s LYS 2 Ca 0.00 1.81 -0.07 0.00 0.02 0.00 0.00 55.97 57.73 2a6r s LYS 2 Cb 0.00 -2.93 -0.01 0.00 -0.52 0.00 0.00 37.83 34.37 2a6r s LYS 2 CO 0.00 -0.03 0.08 -1.17 -0.92 0.00 0.00 175.35 173.30 2a6r s LEU 3 N -1.96 3.63 -0.14 3.17 2.96 -1.26 0.18 118.68 125.26 2a6r s LEU 3 Ca 0.50 -0.43 -0.00 0.00 -0.22 0.00 0.00 54.13 53.98 2a6r s LEU 3 Cb -0.31 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 2a6r s LEU 3 CO 0.40 -0.11 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.56 2a6r s ILE 4 N 1.57 3.03 -0.05 6.68 1.01 0.50 -4.97 121.20 128.96 2a6r s ILE 4 Ca 0.05 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 60.08 2a6r s ILE 4 Cb -0.16 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 2a6r s ILE 4 CO 0.03 0.52 -0.15 0.26 0.00 0.00 0.00 174.94 175.59 2a6r s TRP 5 N 0.50 2.66 0.71 3.97 0.52 -1.26 -0.40 118.94 125.66 2a6r s TRP 5 Ca -0.09 -0.18 -0.09 0.00 0.02 0.00 0.00 56.10 55.76 2a6r s TRP 5 Cb -0.16 -1.61 0.05 0.00 -1.15 0.00 0.00 33.47 30.60 2a6r s TRP 5 CO 0.04 0.17 1.05 -1.54 0.02 0.00 0.00 176.95 176.69 2a6r s SER 6 N -0.73 4.97 0.27 2.95 1.04 -1.21 -4.85 113.70 116.15 2a6r s SER 6 Ca 0.11 0.70 -0.02 0.00 0.48 0.00 0.00 55.95 57.22 2a6r s SER 6 Cb -0.11 -1.40 0.41 0.00 0.10 0.00 0.00 66.02 65.03 2a6r s SER 6 CO 0.00 -1.55 1.90 -0.33 0.98 0.00 0.00 173.24 174.25 2a6r h GLU 7 N -0.66 1.15 0.18 4.02 5.08 -1.97 -1.63 114.58 120.75 2a6r h GLU 7 Ca -0.45 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 2a6r h GLU 7 Cb 1.30 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2a6r h GLU 7 CO 0.63 0.76 -0.09 0.93 -1.00 0.00 0.00 179.01 180.24 2a6r h GLU 8 N 1.18 -0.23 -0.15 2.33 5.08 -1.92 -1.72 114.58 119.16 2a6r h GLU 8 Ca 0.41 0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.72 2a6r h GLU 8 Cb 0.10 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2a6r h GLU 8 CO -0.15 -0.02 -0.19 0.66 -1.00 0.00 0.00 179.01 178.32 2a6r h SER 9 N -0.41 0.23 -0.34 1.42 4.64 -1.67 -0.65 113.55 116.77 2a6r h SER 9 Ca -0.02 -0.06 -0.13 0.00 -0.47 0.00 0.00 61.79 61.11 2a6r h SER 9 Cb 0.32 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 2a6r h SER 9 CO 0.04 0.44 -0.25 -0.25 -0.87 0.00 0.00 176.83 175.94 2a6r h TRP 10 N 0.23 0.97 -0.04 4.77 2.91 -1.20 -0.84 115.95 122.75 2a6r h TRP 10 Ca 0.04 -0.24 -0.08 0.00 1.13 0.00 0.00 58.89 59.75 2a6r h TRP 10 Cb 0.47 -0.23 -0.01 0.00 -0.51 0.00 0.00 29.16 28.88 2a6r h TRP 10 CO 0.01 1.00 -0.36 -0.44 -1.03 0.00 0.00 178.44 177.62 2a6r h ASP 11 N 0.73 0.07 -0.16 2.65 3.32 -0.66 -0.90 116.42 121.47 2a6r h ASP 11 Ca 0.09 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 2a6r h ASP 11 Cb 0.79 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 2a6r h ASP 11 CO 0.07 0.43 0.03 0.44 -1.72 0.00 0.00 179.24 178.48 2a6r h ASP 12 N 0.06 0.26 -0.76 6.45 3.32 -0.49 -0.07 116.42 125.20 2a6r h ASP 12 Ca 0.01 -0.25 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 2a6r h ASP 12 Cb 0.66 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.11 2a6r h ASP 12 CO 0.05 0.44 0.45 0.22 -1.72 0.00 0.00 179.24 178.69 2a6r h TYR 13 N 0.06 1.00 -0.59 4.55 3.20 -0.88 -0.81 116.97 123.49 2a6r h TYR 13 Ca 0.05 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 2a6r h TYR 13 Cb 0.29 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 2a6r h TYR 13 CO 0.02 0.67 -0.03 -0.07 -1.64 0.00 0.00 178.16 177.11 2a6r h LEU 14 N 1.03 1.05 -0.50 2.82 3.38 -1.09 -1.64 115.31 120.36 2a6r h LEU 14 Ca 0.27 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.96 2a6r h LEU 14 Cb -0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.39 2a6r h LEU 14 CO -0.05 1.11 0.26 0.22 0.09 0.00 0.00 178.44 180.07 2a6r h TYR 15 N 0.95 0.47 -0.28 1.13 3.20 -0.45 -1.65 116.97 120.34 2a6r h TYR 15 Ca 0.16 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.99 2a6r h TYR 15 Cb 0.59 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 2a6r h TYR 15 CO 0.04 0.23 -0.09 -1.49 -1.64 0.00 0.00 178.16 175.21 2a6r h TRP 16 N 0.50 0.48 -0.50 -3.82 -0.00 -0.84 -0.86 115.95 110.91 2a6r h TRP 16 Ca 0.22 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.89 59.01 2a6r h TRP 16 Cb 0.12 -0.13 -0.02 0.00 -0.00 0.00 0.00 29.16 29.12 2a6r h TRP 16 CO -0.10 0.55 0.18 1.96 -0.00 0.00 0.00 178.44 181.03 2a6r h GLN 17 N 0.43 0.72 0.00 0.49 4.20 -0.40 0.35 115.11 120.90 2a6r h GLN 17 Ca 0.08 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2a6r h GLN 17 Cb 0.43 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.08 2a6r h GLN 17 CO 0.02 0.61 -0.26 0.39 -0.67 0.00 0.00 178.83 178.92 2a6r n GLU 18 N -4.34 0.16 -0.07 1.46 -0.58 -0.83 -4.51 120.64 111.94 2a6r n GLU 18 Ca 0.04 0.09 -0.13 0.00 -0.42 0.00 0.00 57.16 56.73 2a6r n GLU 18 Cb 0.17 -1.64 -0.05 0.00 -0.57 0.00 0.00 31.44 29.35 2a6r n GLU 18 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2a6r n THR 19 N -1.89 0.73 -3.22 2.62 -1.04 -0.39 -5.03 114.28 106.07 2a6r n THR 19 Ca 0.05 -0.21 -0.01 0.00 -2.04 0.00 0.00 64.05 61.85 2a6r n THR 19 Cb 0.39 -1.52 -0.03 0.00 -1.82 0.00 0.00 70.33 67.35 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 -5.99 -0.83 0.66 8.00 -1.08 0.04 -5.01 116.67 112.46 2a6r s ASP 20 Ca -0.18 0.35 0.41 0.00 -0.52 0.00 0.00 52.55 52.60 2a6r s ASP 20 Cb 0.07 1.75 2.24 0.00 -1.46 0.00 0.00 42.92 45.51 2a6r s ASP 20 CO 0.25 -0.29 2.30 0.07 0.52 0.00 0.00 175.17 178.01 2a6r h LYS 21 N 8.06 0.00 -0.17 4.34 -0.00 -1.83 -0.85 116.57 126.12 2a6r h LYS 21 Ca -0.14 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 60.34 2a6r h LYS 21 Cb 1.16 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.39 2a6r h LYS 21 CO 0.23 0.00 -0.58 0.00 -0.00 0.00 0.00 179.45 179.10 2a6r h ARG 22 N 0.00 0.55 -0.21 0.07 3.08 -1.95 -1.12 114.38 114.81 2a6r h ARG 22 Ca 0.00 -0.36 -0.18 0.00 0.07 0.00 0.00 59.98 59.51 2a6r h ARG 22 Cb 0.11 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 2a6r h ARG 22 CO -0.00 0.98 -0.59 0.82 -1.07 0.00 0.00 179.97 180.10 2a6r h ILE 23 N 0.42 1.30 -0.30 2.04 1.08 -1.51 -1.82 117.51 118.71 2a6r h ILE 23 Ca 0.00 -1.82 0.02 0.00 -0.39 0.00 0.00 64.86 62.66 2a6r h ILE 23 Cb 1.13 1.77 -0.02 0.00 -3.07 0.00 0.00 36.82 36.64 2a6r h ILE 23 CO 0.11 0.58 0.17 0.58 -0.69 0.00 0.00 178.15 178.89 2a6r h VAL 24 N 0.51 1.01 -0.73 1.67 2.07 -1.34 0.57 116.25 120.01 2a6r h VAL 24 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2a6r h VAL 24 Cb 1.17 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2a6r h VAL 24 CO 0.12 0.06 0.47 0.50 0.02 0.00 0.00 177.57 178.74 2a6r h LYS 25 N 0.34 0.98 -0.30 1.57 3.64 -1.10 0.81 116.57 122.51 2a6r h LYS 25 Ca 0.12 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2a6r h LYS 25 Cb 0.02 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 2a6r h LYS 25 CO -0.07 0.67 0.19 -0.22 -2.27 0.00 0.00 179.45 177.75 2a6r h LYS 26 N 1.00 0.41 -0.77 1.90 1.63 -0.77 -0.65 116.57 119.32 2a6r h LYS 26 Ca 0.27 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.00 2a6r h LYS 26 Cb -0.08 -0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 31.43 2a6r h LYS 26 CO -0.05 0.30 0.35 0.82 -3.45 0.00 0.00 179.45 177.42 2a6r h ILE 27 N 0.40 1.25 -0.36 2.00 2.04 -0.45 -1.40 117.51 120.99 2a6r h ILE 27 Ca 0.11 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 2a6r h ILE 27 Cb -0.01 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 2a6r h ILE 27 CO -0.02 0.30 0.18 0.78 0.00 0.00 0.00 178.15 179.39 2a6r h ASN 28 N 1.10 0.46 -0.02 1.72 2.35 -0.45 -1.43 115.58 119.30 2a6r h ASN 28 Ca 0.26 -0.11 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 2a6r h ASN 28 Cb 0.15 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.39 2a6r h ASN 28 CO -0.03 0.44 -0.23 -0.33 -1.65 0.00 0.00 177.43 175.63 2a6r h GLU 29 N 0.44 0.41 -0.46 0.81 4.39 -0.91 -0.15 114.58 119.11 2a6r h GLU 29 Ca 0.12 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 2a6r h GLU 29 Cb 0.09 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.70 2a6r h GLU 29 CO -0.02 0.62 0.02 -0.07 -1.16 0.00 0.00 179.01 178.40 2a6r h LEU 30 N 0.37 0.78 -0.59 1.33 3.38 -1.02 -0.76 115.31 118.79 2a6r h LEU 30 Ca 0.06 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 2a6r h LEU 30 Cb 0.61 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 2a6r h LEU 30 CO 0.04 0.88 0.28 0.40 0.09 0.00 0.00 178.44 180.14 2a6r h ILE 31 N 0.65 1.21 -0.61 1.22 2.04 -0.87 0.67 117.51 121.82 2a6r h ILE 31 Ca 0.13 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.34 2a6r h ILE 31 Cb 0.47 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2a6r h ILE 31 CO 0.02 0.24 0.18 0.50 0.00 0.00 0.00 178.15 179.10 2a6r h LYS 32 N 0.81 0.92 -0.32 2.37 3.64 -0.82 -1.69 116.57 121.48 2a6r h LYS 32 Ca 0.20 -0.18 -0.16 0.00 -1.27 0.00 0.00 60.65 59.24 2a6r h LYS 32 Cb 0.13 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2a6r h LYS 32 CO -0.02 0.80 -0.45 0.22 -2.27 0.00 0.00 179.45 177.73 2a6r h ASP 33 N 0.89 0.91 -0.32 4.20 3.58 -0.59 -2.96 116.42 122.13 2a6r h ASP 33 Ca 0.20 -0.44 -0.03 0.00 0.42 0.00 0.00 57.03 57.18 2a6r h ASP 33 Cb 0.27 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 2a6r h ASP 33 CO -0.01 1.21 0.10 0.74 -2.88 0.00 0.00 179.24 178.41 2a6r h THR 34 N 0.67 1.17 -0.66 2.25 2.02 -0.50 -0.37 112.91 117.50 2a6r h THR 34 Ca 0.04 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 2a6r h THR 34 Cb 1.03 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 2a6r h THR 34 CO 0.10 0.22 0.23 0.03 0.37 0.00 0.00 175.52 176.47 2a6r h ARG 35 N 0.56 1.00 0.15 6.66 3.08 -1.16 0.00 114.38 124.67 2a6r h ARG 35 Ca 0.13 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2a6r h ARG 35 Cb 0.20 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.09 2a6r h ARG 35 CO -0.01 0.84 -0.07 -0.09 -1.07 0.00 0.00 179.97 179.57 2a6r h ARG 36 N 0.97 -0.19 -2.76 0.04 2.43 -1.22 -3.42 114.38 110.23 2a6r h ARG 36 Ca 0.22 0.01 -0.58 0.00 -0.81 0.00 0.00 59.98 58.82 2a6r h ARG 36 Cb 0.24 0.04 -0.39 0.00 -0.42 0.00 0.00 29.97 29.44 2a6r h ARG 36 CO -0.01 0.25 -0.81 0.95 -1.51 0.00 0.00 179.97 178.84 2a6r s THR 37 N -3.43 0.46 0.33 0.20 -4.23 -0.23 -5.05 115.64 103.69 2a6r s THR 37 Ca -0.13 -1.79 0.10 0.00 -1.18 0.00 0.00 61.69 58.69 2a6r s THR 37 Cb 0.00 -1.34 0.35 0.00 1.34 0.00 0.00 72.50 72.86 2a6r s THR 37 CO 0.49 -0.92 1.61 -0.65 -0.54 0.00 0.00 174.62 174.61 2a6r h PRO 38 N 7.15 0.11 -0.21 3.99 0.11 -1.20 -2.23 132.00 139.73 2a6r h PRO 38 Ca 0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2a6r h PRO 38 Cb 0.97 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2a6r h PRO 38 CO 0.34 0.08 0.00 1.19 -0.21 0.00 0.00 178.00 179.40 2a6r n PHE 39 N -5.27 0.61 -4.19 0.65 3.01 -1.26 -4.86 117.46 106.16 2a6r n PHE 39 Ca 0.29 -0.80 -0.11 0.00 1.01 0.00 0.00 57.45 57.84 2a6r n PHE 39 Cb 0.94 -0.21 -0.10 0.00 -0.01 0.00 0.00 39.48 40.10 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 -2.35 0.94 0.00 -1.08 2.02 -0.84 -4.76 118.70 112.62 2a6r s GLU 40 Ca 0.34 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 53.91 2a6r s GLU 40 Cb 0.26 -0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.39 2a6r s GLU 40 CO 0.09 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.66 2a6r n GLY 41 N -0.12 -0.30 3.67 -1.39 0.00 -1.26 -4.70 105.19 101.09 2a6r n GLY 41 Ca -0.09 -1.93 -0.37 0.00 0.00 0.00 0.00 46.02 43.63 2a6r n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a6r n LYS 42 N 0.00 0.94 -1.00 1.61 5.02 -1.26 -3.29 118.16 120.18 2a6r n LYS 42 Ca 0.00 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 2a6r n LYS 42 Cb 0.00 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 32.65 2a6r n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2a6r n GLY 43 N 1.08 0.56 3.53 0.72 0.00 -1.26 -4.29 105.19 105.53 2a6r n GLY 43 Ca 0.15 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.99 2a6r n GLY 43 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a6r n LYS 44 N -2.79 -1.54 -1.85 1.61 5.02 -1.21 -0.91 118.16 116.50 2a6r n LYS 44 Ca 0.00 1.07 -0.41 0.00 -2.02 0.00 0.00 58.31 56.95 2a6r n LYS 44 Cb 0.01 -3.40 -0.01 0.00 -0.02 0.00 0.00 35.03 31.61 2a6r n LYS 44 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2a6r s PRO 45 N -4.11 4.15 -0.01 1.97 0.02 -1.26 -4.69 135.00 131.07 2a6r s PRO 45 Ca 0.04 2.51 -0.27 0.00 0.02 0.00 0.00 61.00 63.30 2a6r s PRO 45 Cb -0.01 -3.00 0.06 0.00 0.02 0.00 0.00 34.50 31.58 2a6r s PRO 45 CO 0.85 -0.50 0.61 -1.83 -0.33 0.00 0.00 177.00 175.79 2a6r s GLU 46 N -1.64 1.03 0.44 5.54 -1.05 -0.94 -4.92 118.70 117.15 2a6r s GLU 46 Ca 0.55 0.07 -0.24 0.00 -0.15 0.00 0.00 54.97 55.20 2a6r s GLU 46 Cb -0.46 0.48 -0.08 0.00 -0.44 0.00 0.00 34.13 33.64 2a6r s GLU 46 CO 0.58 -0.34 1.23 -2.14 0.95 0.00 0.00 175.26 175.54 2a6r s PRO 47 N -1.62 3.82 0.26 -4.83 0.02 -1.26 -1.43 135.00 129.96 2a6r s PRO 47 Ca -0.09 1.96 0.05 0.00 0.02 0.00 0.00 61.00 62.93 2a6r s PRO 47 Cb -0.01 -2.56 -0.03 0.00 0.02 0.00 0.00 34.50 31.92 2a6r s PRO 47 CO 0.06 -0.55 0.39 -0.51 -0.33 0.00 0.00 177.00 176.05 2a6r s LEU 48 N -2.77 4.26 0.00 -5.54 1.43 -0.25 -4.88 118.68 110.94 2a6r s LEU 48 Ca 0.61 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2a6r s LEU 48 Cb -0.33 -2.90 0.00 0.00 0.03 0.00 0.00 46.19 42.99 2a6r s LEU 48 CO 0.41 -0.12 0.00 2.29 0.23 0.00 0.00 176.35 179.17 2a6r n LYS 49 N -1.47 2.77 0.00 1.70 2.85 -1.26 -4.05 118.16 118.71 2a6r n LYS 49 Ca -0.08 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 2a6r n LYS 49 Cb 0.57 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.95 2a6r n LYS 49 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2a6r n HIS 50 N 0.00 0.00 0.78 5.58 8.25 -1.26 -1.60 115.22 126.97 2a6r n HIS 50 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 2a6r n HIS 50 Cb 0.00 0.00 0.24 0.00 1.12 0.00 0.00 29.99 31.35 2a6r n HIS 50 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 2a6r n ASN 51 N 9.96 2.83 -0.79 0.41 0.23 -1.26 -4.13 115.26 122.51 2a6r n ASN 51 Ca 0.00 -1.90 0.07 0.00 -0.53 0.00 0.00 54.58 52.21 2a6r n ASN 51 Cb 0.00 -0.13 0.23 0.00 -2.08 0.00 0.00 39.78 37.80 2a6r n ASN 51 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2a6r n LEU 52 N 1.13 3.64 -4.71 -4.53 4.77 -0.63 -5.02 117.00 111.65 2a6r n LEU 52 Ca 0.17 -3.18 -0.42 0.00 -0.03 0.00 0.00 56.01 52.55 2a6r n LEU 52 Cb 0.53 -0.54 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 2a6r n LEU 52 CO 0.15 0.79 1.38 -0.24 -1.33 0.00 0.00 177.39 178.15 2a6r n SER 53 N -0.80 3.96 0.00 -1.43 2.88 -1.24 -1.52 113.62 115.47 2a6r n SER 53 Ca 0.23 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 2a6r n SER 53 Cb 0.87 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 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 3.99 2.70 3.87 0.46 0.00 -1.26 -5.04 105.19 109.92 2a6r n GLY 54 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.47 3.24 0.39 1.61 0.40 -0.58 -4.68 117.98 115.90 2a6r s PHE 55 Ca 0.00 -0.06 0.08 0.00 -0.60 0.00 0.00 56.93 56.35 2a6r s PHE 55 Cb 0.00 -1.48 -0.07 0.00 0.51 0.00 0.00 43.02 41.97 2a6r s PHE 55 CO 0.00 0.50 0.01 -1.58 0.70 0.00 0.00 175.22 174.85 2a6r s TRP 56 N -2.01 2.51 -0.03 0.36 0.52 0.25 -1.09 118.94 119.45 2a6r s TRP 56 Ca 0.33 -0.61 -0.07 0.00 0.02 0.00 0.00 56.10 55.78 2a6r s TRP 56 Cb -0.09 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.55 2a6r s TRP 56 CO 0.26 0.45 0.15 0.45 0.02 0.00 0.00 176.95 178.28 2a6r s SER 57 N -3.71 -0.08 0.10 2.95 0.15 -0.51 -1.41 113.70 111.18 2a6r s SER 57 Ca 0.35 0.07 0.05 0.00 0.70 0.00 0.00 55.95 57.12 2a6r s SER 57 Cb 0.07 0.28 -0.03 0.00 -1.71 0.00 0.00 66.02 64.62 2a6r s SER 57 CO 0.18 -0.21 -0.12 -0.13 1.20 0.00 0.00 173.24 174.16 2a6r s ARG 58 N -0.63 0.88 -0.28 5.44 0.52 -0.83 -2.22 118.95 121.83 2a6r s ARG 58 Ca -0.07 -1.11 -0.24 0.00 -0.52 0.00 0.00 55.73 53.79 2a6r s ARG 58 Cb -0.04 -0.72 -0.00 0.00 0.52 0.00 0.00 34.95 34.70 2a6r s ARG 58 CO 0.01 0.14 0.81 0.50 0.02 0.00 0.00 175.30 176.78 2a6r s ARG 59 N -2.40 4.05 -0.17 3.54 3.52 -0.09 -1.24 118.95 126.16 2a6r s ARG 59 Ca 0.04 0.73 -0.21 0.00 -0.13 0.00 0.00 55.73 56.16 2a6r s ARG 59 Cb -0.06 -3.70 -0.23 0.00 -1.56 0.00 0.00 34.95 29.41 2a6r s ARG 59 CO 0.02 -0.63 0.41 0.82 -0.81 0.00 0.00 175.30 175.11 2a6r h ILE 60 N 5.54 1.10 -3.97 4.11 2.04 -1.60 -3.41 117.51 121.31 2a6r h ILE 60 Ca -0.24 -2.27 -0.24 0.00 1.00 0.00 0.00 64.86 63.10 2a6r h ILE 60 Cb 1.09 2.58 -0.07 0.00 -0.74 0.00 0.00 36.82 39.69 2a6r h ILE 60 CO 0.88 0.49 -0.12 0.42 0.00 0.00 0.00 178.15 179.82 2a6r s THR 61 N -2.37 0.00 0.26 -0.27 -4.23 -0.88 -4.97 115.64 103.18 2a6r s THR 61 Ca -0.24 -1.51 -0.04 0.00 -1.18 0.00 0.00 61.69 58.71 2a6r s THR 61 Cb 0.04 -2.68 0.20 0.00 1.34 0.00 0.00 72.50 71.39 2a6r s THR 61 CO 0.66 0.00 1.86 -0.08 -0.54 0.00 0.00 174.62 176.52 2a6r h GLU 62 N 2.08 1.09 0.17 3.99 4.57 -2.01 -3.16 114.58 121.32 2a6r h GLU 62 Ca -0.29 -0.15 -0.31 0.00 -1.18 0.00 0.00 59.36 57.43 2a6r h GLU 62 Cb 1.24 -0.20 0.03 0.00 -0.16 0.00 0.00 28.75 29.66 2a6r h GLU 62 CO 0.39 0.84 -1.33 1.05 -1.18 0.00 0.00 179.01 178.78 2a6r h GLU 63 N 1.09 0.54 -5.92 1.92 4.11 -1.96 -3.46 114.58 110.89 2a6r h GLU 63 Ca 0.26 -0.81 -0.67 0.00 0.07 0.00 0.00 59.36 58.21 2a6r h GLU 63 Cb 0.10 0.28 -0.17 0.00 0.50 0.00 0.00 28.75 29.46 2a6r h GLU 63 CO -0.03 1.37 -0.65 -1.01 0.07 0.00 0.00 179.01 178.76 2a6r s HIS 64 N -2.81 3.06 0.10 2.06 3.76 -1.19 -4.13 115.29 116.14 2a6r s HIS 64 Ca -0.08 0.06 0.10 0.00 -0.15 0.00 0.00 55.06 54.99 2a6r s HIS 64 Cb 0.05 -1.79 -0.04 0.00 1.11 0.00 0.00 32.58 31.92 2a6r s HIS 64 CO 0.93 0.34 -0.26 1.03 -0.85 0.00 0.00 174.74 175.93 2a6r s ARG 65 N -0.65 1.51 -0.38 1.40 1.81 0.65 -1.46 118.95 121.82 2a6r s ARG 65 Ca 0.10 -1.25 -0.14 0.00 -1.72 0.00 0.00 55.73 52.72 2a6r s ARG 65 Cb -0.12 -1.88 0.01 0.00 -0.45 0.00 0.00 34.95 32.51 2a6r s ARG 65 CO 0.02 0.46 0.28 -1.17 -0.68 0.00 0.00 175.30 174.21 2a6r s LEU 66 N -1.76 4.88 -0.18 2.53 2.96 -0.37 -3.32 118.68 123.41 2a6r s LEU 66 Ca 0.13 -0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 53.24 2a6r s LEU 66 Cb -0.10 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.40 2a6r s LEU 66 CO 0.04 -0.37 0.08 -0.69 -1.32 0.00 0.00 176.35 174.10 2a6r s VAL 67 N 1.70 4.98 0.21 1.68 1.01 0.56 -1.96 120.40 128.58 2a6r s VAL 67 Ca 0.05 0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.91 2a6r s VAL 67 Cb -0.18 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 32.97 2a6r s VAL 67 CO 0.10 0.46 0.50 -0.72 0.00 0.00 0.00 175.10 175.45 2a6r s TYR 68 N 0.29 0.04 0.06 5.22 -0.85 -0.50 0.11 117.35 121.72 2a6r s TYR 68 Ca 0.05 -0.40 0.04 0.00 -0.52 0.00 0.00 57.07 56.24 2a6r s TYR 68 Cb -0.12 0.32 -0.03 0.00 0.38 0.00 0.00 41.96 42.52 2a6r s TYR 68 CO -0.00 -0.94 -0.11 0.00 -1.52 0.00 0.00 175.55 172.98 2a6r s ALA 69 N -3.92 0.91 -0.03 9.51 0.00 -0.02 0.88 121.76 129.10 2a6r s ALA 69 Ca 0.13 -0.95 0.06 0.00 0.00 0.00 0.00 51.96 51.21 2a6r s ALA 69 Cb -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 2a6r s ALA 69 CO 0.01 0.04 -0.22 0.08 0.00 0.00 0.00 175.76 175.68 2a6r s VAL 70 N -1.58 1.73 0.32 0.00 1.01 -1.26 -0.58 120.40 120.03 2a6r s VAL 70 Ca -0.04 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.03 2a6r s VAL 70 Cb -0.08 -1.44 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 2a6r s VAL 70 CO 0.01 0.49 0.04 0.35 0.00 0.00 0.00 175.10 175.99 2a6r n THR 71 N 2.68 0.00 -0.24 3.92 -2.24 -0.27 -5.01 114.28 113.13 2a6r n THR 71 Ca -0.16 -1.64 0.01 0.00 -2.27 0.00 0.00 64.05 59.99 2a6r n THR 71 Cb 0.52 0.43 0.13 0.00 -2.10 0.00 0.00 70.33 69.31 2a6r n THR 71 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2a6r h ASP 72 N 0.95 0.43 0.00 3.42 3.45 -2.03 -3.26 116.42 119.38 2a6r h ASP 72 Ca -0.26 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.26 2a6r h ASP 72 Cb 0.86 -0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.62 2a6r h ASP 72 CO 0.43 0.25 -0.01 -0.90 -1.57 0.00 0.00 179.24 177.44 2a6r n ASP 73 N -4.88 1.84 -3.73 6.45 3.85 -1.26 -5.04 116.55 113.78 2a6r n ASP 73 Ca 0.10 -2.03 -0.12 0.00 -0.71 0.00 0.00 54.79 52.03 2a6r n ASP 73 Cb 0.27 -0.05 -0.07 0.00 -1.35 0.00 0.00 41.12 39.92 2a6r n ASP 73 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 2a6r s SER 74 N -1.12 -0.16 -0.24 -1.12 1.04 -1.23 -1.00 113.70 109.87 2a6r s SER 74 Ca 0.04 -0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.27 2a6r s SER 74 Cb 0.03 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.55 2a6r s SER 74 CO 0.00 -0.64 -0.05 -0.22 0.98 0.00 0.00 173.24 173.31 2a6r s LEU 75 N -2.12 3.13 -0.26 2.42 2.96 0.13 -1.11 118.68 123.83 2a6r s LEU 75 Ca -0.04 -0.75 -0.10 0.00 -0.22 0.00 0.00 54.13 53.01 2a6r s LEU 75 Cb -0.00 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.95 2a6r s LEU 75 CO -0.04 -0.10 0.17 -0.76 -1.32 0.00 0.00 176.35 174.29 2a6r s LEU 76 N 1.37 4.02 -0.35 -0.68 1.43 0.25 -0.37 118.68 124.34 2a6r s LEU 76 Ca 0.02 0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 53.01 2a6r s LEU 76 Cb -0.16 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 2a6r s LEU 76 CO -0.04 0.00 0.27 -0.63 0.23 0.00 0.00 176.35 176.19 2a6r s ILE 77 N 1.43 5.26 0.02 -0.59 -1.09 0.47 -0.84 121.20 125.85 2a6r s ILE 77 Ca 0.07 -0.26 0.10 0.00 -2.23 0.00 0.00 60.65 58.34 2a6r s ILE 77 Cb -0.15 -3.78 -0.21 0.00 -1.58 0.00 0.00 42.46 36.74 2a6r s ILE 77 CO 0.08 -0.09 0.94 0.00 -1.23 0.00 0.00 174.94 174.64 2a6r h ALA 78 N 8.52 0.60 -1.67 9.38 0.00 -0.64 -3.20 119.26 132.25 2a6r h ALA 78 Ca -0.30 -1.20 0.21 0.00 0.00 0.00 0.00 54.91 53.61 2a6r h ALA 78 Cb 1.15 0.21 -0.19 0.00 0.00 0.00 0.00 17.79 18.96 2a6r h ALA 78 CO 0.66 1.41 0.72 0.00 0.00 0.00 0.00 179.25 182.04 2a6r s ALA 79 N -2.66 -2.00 -0.17 0.00 0.00 -1.09 -4.13 121.76 111.71 2a6r s ALA 79 Ca -0.02 1.47 0.18 0.00 0.00 0.00 0.00 51.96 53.58 2a6r s ALA 79 Cb 0.09 -0.08 0.39 0.00 0.00 0.00 0.00 23.12 23.51 2a6r s ALA 79 CO 0.82 -0.58 1.20 0.00 0.00 0.00 0.00 175.76 177.20 2a6r s ARG 81 N -1.34 0.57 3.47 0.00 3.52 -1.21 -4.77 118.95 119.18 2a6r s ARG 81 Ca 0.21 0.85 0.00 0.00 -0.13 0.00 0.00 55.73 56.66 2a6r s ARG 81 Cb 0.32 0.17 0.00 0.00 -1.56 0.00 0.00 34.95 33.87 2a6r s ARG 81 CO -0.09 -0.12 0.00 0.66 -0.81 0.00 0.00 175.30 174.95 2a6r n TYR 82 N 3.56 0.00 -0.87 5.12 0.53 -1.26 -4.71 117.16 119.54 2a6r n TYR 82 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.70 2a6r n TYR 82 Cb 0.56 0.04 0.00 0.00 -1.03 0.00 0.00 39.34 38.92 2a6r n TYR 82 CO 0.00 0.00 0.00 -2.39 -1.02 0.00 0.00 176.86 173.45