#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3r n LYS 8 N 0.00 0.00 -1.39 -1.24 5.02 -1.26 -5.10 118.16 114.18 2h3r n LYS 8 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 2h3r n LYS 8 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.03 2h3r n LYS 8 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2h3r n THR 9 N -2.64 1.39 -0.23 -0.18 5.66 -1.26 -4.82 114.28 112.20 2h3r n THR 9 Ca 0.00 -0.50 -0.01 0.00 -3.05 0.00 0.00 64.05 60.49 2h3r n THR 9 Cb 0.00 -0.40 0.21 0.00 -1.55 0.00 0.00 70.33 68.59 2h3r n THR 9 CO 0.00 0.00 0.00 1.88 -3.05 0.00 0.00 175.07 173.90 2h3r h TYR 10 N 0.37 0.98 0.14 1.09 -1.99 -1.96 -3.09 116.97 112.51 2h3r h TYR 10 Ca -0.42 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.32 2h3r h TYR 10 Cb 1.42 -0.32 -0.02 0.00 2.00 0.00 0.00 36.73 39.80 2h3r h TYR 10 CO 0.31 0.65 -0.27 0.93 -0.00 0.00 0.00 178.16 179.78 2h3r h GLU 11 N 1.04 -0.42 0.00 4.88 5.08 -1.88 -1.61 114.58 121.67 2h3r h GLU 11 Ca 0.27 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2h3r h GLU 11 Cb -0.05 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2h3r h GLU 11 CO -0.05 -0.28 0.00 0.39 -1.00 0.00 0.00 179.01 178.07 2h3r n GLU 12 N -3.96 0.00 0.00 2.33 1.02 -1.17 -0.30 120.64 118.57 2h3r n GLU 12 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2h3r n GLU 12 Cb 0.22 -0.69 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 2h3r n GLU 12 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2h3r n VAL 14 N 0.10 0.00 -0.15 2.62 0.31 -0.61 -0.22 118.33 120.38 2h3r n VAL 14 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 2h3r n VAL 14 Cb 0.00 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.96 2h3r n VAL 14 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2h3r h LYS 15 N 0.00 0.51 0.25 5.55 3.64 -0.90 -0.50 116.57 125.12 2h3r h LYS 15 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2h3r h LYS 15 Cb 0.00 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2h3r h LYS 15 CO 0.00 0.34 -0.12 1.49 -2.27 0.00 0.00 179.45 178.89 2h3r h GLU 16 N 0.53 -0.32 -0.51 1.90 4.57 -0.83 -1.29 114.58 118.62 2h3r h GLU 16 Ca 0.19 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.44 2h3r h GLU 16 Cb 0.04 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 28.66 2h3r h GLU 16 CO -0.10 -0.15 0.24 0.28 -1.18 0.00 0.00 179.01 178.11 2h3r h VAL 17 N -0.43 0.92 -0.49 0.32 2.07 -1.76 -1.58 116.25 115.30 2h3r h VAL 17 Ca -0.03 -0.16 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2h3r h VAL 17 Cb 0.33 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 2h3r h VAL 17 CO 0.06 0.09 0.07 -0.08 0.02 0.00 0.00 177.57 177.73 2h3r h GLU 18 N 0.47 0.82 -0.93 1.57 4.57 -1.08 -1.60 114.58 118.39 2h3r h GLU 18 Ca 0.23 -0.22 0.11 0.00 -1.18 0.00 0.00 59.36 58.30 2h3r h GLU 18 Cb 0.17 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.59 2h3r h GLU 18 CO -0.18 0.82 0.60 -0.09 -1.18 0.00 0.00 179.01 178.98 2h3r h ARG 19 N 0.69 0.86 0.00 1.92 2.43 -0.77 -0.24 114.38 119.28 2h3r h ARG 19 Ca 0.15 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 2h3r h ARG 19 Cb 0.40 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 2h3r h ARG 19 CO 0.01 0.57 -0.55 -0.07 -1.51 0.00 0.00 179.97 178.42 2h3r h LEU 20 N 0.89 0.00 -0.30 3.80 3.38 -0.95 -2.26 115.31 119.87 2h3r h LEU 20 Ca 0.45 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.24 2h3r h LEU 20 Cb 0.49 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2h3r h LEU 20 CO -0.21 0.55 -0.84 0.11 0.09 0.00 0.00 178.44 178.14 2h3r h LYS 21 N 0.00 0.00 -0.00 1.13 1.57 -0.20 0.86 116.57 119.92 2h3r h LYS 21 Ca -0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2h3r h LYS 21 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 2h3r h LYS 21 CO 0.07 0.84 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.58 2h3r h LEU 22 N 0.00 0.13 -1.58 2.94 3.38 -1.12 -1.57 115.31 117.49 2h3r h LEU 22 Ca -0.01 -0.76 -0.05 0.00 0.09 0.00 0.00 57.88 57.15 2h3r h LEU 22 Cb 1.50 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.20 2h3r h LEU 22 CO 0.11 0.88 -0.22 -0.08 0.09 0.00 0.00 178.44 179.22 2h3r h GLU 23 N -0.60 0.00 -0.08 1.13 4.81 -1.44 -1.13 114.58 117.27 2h3r h GLU 23 Ca -0.02 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 2h3r h GLU 23 Cb 0.90 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 2h3r h GLU 23 CO 0.03 0.22 -0.48 -0.97 -0.73 0.00 0.00 179.01 177.08 2h3r h ASN 24 N 0.00 0.21 0.36 1.04 -0.73 -0.75 -2.31 115.58 113.41 2h3r h ASN 24 Ca -0.00 -0.10 -0.02 0.00 1.87 0.00 0.00 56.30 58.05 2h3r h ASN 24 Cb 0.40 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.94 2h3r h ASN 24 CO 0.03 0.66 -0.17 0.50 -0.37 0.00 0.00 177.43 178.08 2h3r h LYS 25 N 0.16 -0.47 -0.94 6.67 3.64 -0.20 -2.51 116.57 122.91 2h3r h LYS 25 Ca 0.01 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.60 2h3r h LYS 25 Cb 0.91 0.11 -0.17 0.00 -0.41 0.00 0.00 32.23 32.66 2h3r h LYS 25 CO 0.07 -0.25 -0.27 2.41 -2.27 0.00 0.00 179.45 179.14 2h3r n THR 26 N -5.10 -0.43 -0.27 1.00 -1.04 -0.57 0.14 114.28 108.01 2h3r n THR 26 Ca -0.07 2.17 0.02 0.00 -2.04 0.00 0.00 64.05 64.13 2h3r n THR 26 Cb 0.23 -2.96 0.23 0.00 -1.82 0.00 0.00 70.33 66.00 2h3r n THR 26 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2h3r h LEU 27 N 0.00 0.92 -0.69 -4.42 3.38 -1.43 0.47 115.31 113.54 2h3r h LEU 27 Ca 0.41 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.27 2h3r h LEU 27 Cb 0.65 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2h3r h LEU 27 CO -0.96 0.64 -0.49 0.11 0.09 0.00 0.00 178.44 177.83 2h3r h LYS 28 N 1.07 0.00 -0.14 1.13 1.57 0.17 -2.72 116.57 117.65 2h3r h LYS 28 Ca 0.33 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.91 2h3r h LYS 28 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2h3r h LYS 28 CO -0.09 0.49 -0.71 0.37 -0.57 0.00 0.00 179.45 178.93 2h3r h GLN 29 N 0.00 0.63 -0.45 3.15 4.15 0.19 -3.17 115.11 119.61 2h3r h GLN 29 Ca -0.00 -0.48 0.03 0.00 0.77 0.00 0.00 58.65 58.96 2h3r h GLN 29 Cb 1.08 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.82 2h3r h GLN 29 CO 0.06 1.10 0.25 0.87 -1.93 0.00 0.00 178.83 179.18 2h3r h LYS 30 N 0.44 0.48 0.00 1.69 1.57 0.16 -3.48 116.57 117.43 2h3r h LYS 30 Ca -0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2h3r h LYS 30 Cb 1.30 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.51 2h3r h LYS 30 CO 0.14 0.32 0.00 1.33 -0.57 0.00 0.00 179.45 180.66 2h3r n VAL 31 N -4.87 0.00 -1.13 0.50 0.24 -1.11 -5.11 118.33 106.86 2h3r n VAL 31 Ca 0.03 0.88 0.00 0.00 -2.04 0.00 0.00 64.34 63.20 2h3r n VAL 31 Cb 0.09 -1.77 0.00 0.00 -1.47 0.00 0.00 33.84 30.69 2h3r n VAL 31 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2h3r n SER 39 N -0.48 -1.51 -2.92 -1.34 2.88 -1.26 -5.05 113.62 103.95 2h3r n SER 39 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 2h3r n SER 39 Cb 0.00 -0.75 0.04 0.00 -0.75 0.00 0.00 64.21 62.74 2h3r n SER 39 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2h3r n ASP 40 N -0.54 -0.81 -4.03 -3.46 -0.08 -1.26 -5.06 116.55 101.31 2h3r n ASP 40 Ca 0.00 -3.29 -0.32 0.00 -1.51 0.00 0.00 54.79 49.66 2h3r n ASP 40 Cb 0.17 0.69 -0.14 0.00 2.34 0.00 0.00 41.12 44.18 2h3r n ASP 40 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2h3r s ASP 41 N -1.84 4.80 0.73 1.67 2.15 -1.26 -5.07 116.67 117.84 2h3r s ASP 41 Ca 0.30 -2.36 -0.11 0.00 0.43 0.00 0.00 52.55 50.81 2h3r s ASP 41 Cb 0.33 -1.69 0.03 0.00 -0.30 0.00 0.00 42.92 41.29 2h3r s ASP 41 CO -0.06 -0.38 1.07 -0.44 -0.17 0.00 0.00 175.17 175.19 2h3r s SER 42 N 0.82 5.06 0.24 -0.34 0.01 -1.26 -5.03 113.70 113.19 2h3r s SER 42 Ca 0.12 1.65 -0.26 0.00 1.31 0.00 0.00 55.95 58.77 2h3r s SER 42 Cb -0.21 -2.47 -0.09 0.00 0.21 0.00 0.00 66.02 63.46 2h3r s SER 42 CO -0.05 -1.66 0.87 -0.63 0.41 0.00 0.00 173.24 172.18 2h3r s ILE 43 N -3.01 4.25 0.50 1.44 1.09 -1.26 -5.03 121.20 119.19 2h3r s ILE 43 Ca 0.59 1.81 -0.22 0.00 -1.10 0.00 0.00 60.65 61.73 2h3r s ILE 43 Cb -0.15 -4.13 -0.06 0.00 -1.06 0.00 0.00 42.46 37.06 2h3r s ILE 43 CO 0.55 0.38 1.23 -0.22 -0.10 0.00 0.00 174.94 176.78 2h3r s LEU 44 N -1.50 3.92 0.06 2.97 2.96 -1.26 -5.04 118.68 120.79 2h3r s LEU 44 Ca 0.42 2.45 0.01 0.00 -0.22 0.00 0.00 54.13 56.79 2h3r s LEU 44 Cb -0.22 -4.30 -0.04 0.00 0.50 0.00 0.00 46.19 42.13 2h3r s LEU 44 CO 0.27 -1.19 0.17 -0.89 -1.32 0.00 0.00 176.35 173.38 2h3r s THR 45 N -1.48 5.14 0.28 3.68 2.01 -1.26 -4.92 115.64 119.08 2h3r s THR 45 Ca 0.68 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.21 2h3r s THR 45 Cb -0.32 -3.49 0.30 0.00 0.01 0.00 0.00 72.50 69.00 2h3r s THR 45 CO 0.38 0.16 1.65 0.00 -0.69 0.00 0.00 174.62 176.13 2h3r h ALA 46 N 3.23 1.23 -0.07 7.40 0.00 -1.99 0.18 119.26 129.23 2h3r h ALA 46 Ca -0.46 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2h3r h ALA 46 Cb 1.16 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 2h3r h ALA 46 CO 0.72 -0.44 -0.10 0.00 0.00 0.00 0.00 179.25 179.43 2h3r h ALA 47 N 1.75 0.11 -0.16 0.00 0.00 -1.99 -2.60 119.26 116.37 2h3r h ALA 47 Ca 0.53 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 55.17 2h3r h ALA 47 Cb 1.04 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 2h3r h ALA 47 CO -0.63 -0.04 -0.20 -0.22 0.00 0.00 0.00 179.25 178.17 2h3r h LYS 48 N -0.26 -0.22 -0.01 0.00 1.63 -1.55 0.44 116.57 116.60 2h3r h LYS 48 Ca 0.01 0.02 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 2h3r h LYS 48 Cb 0.65 0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.31 2h3r h LYS 48 CO 0.02 -0.15 -0.12 -0.09 -3.45 0.00 0.00 179.45 175.67 2h3r h ARG 49 N -0.23 -0.19 -0.98 1.90 2.43 -0.77 -0.22 114.38 116.32 2h3r h ARG 49 Ca 0.11 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.35 2h3r h ARG 49 Cb 0.40 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.93 2h3r h ARG 49 CO -0.30 -0.13 0.63 1.49 -1.51 0.00 0.00 179.97 180.16 2h3r h GLU 50 N -0.20 1.15 -0.53 0.20 4.57 -1.03 0.55 114.58 119.30 2h3r h GLU 50 Ca 0.05 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 2h3r h GLU 50 Cb 0.26 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 2h3r h GLU 50 CO -0.12 0.76 0.25 1.03 -1.18 0.00 0.00 179.01 179.75 2h3r h SER 51 N 1.19 0.70 -0.27 1.04 0.87 0.41 0.03 113.55 117.51 2h3r h SER 51 Ca 0.41 -0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.76 2h3r h SER 51 Cb 0.09 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 2h3r h SER 51 CO -0.15 0.64 -0.06 0.40 -0.53 0.00 0.00 176.83 177.12 2h3r h ILE 52 N 0.71 1.23 -0.20 2.23 1.08 -0.02 -2.32 117.51 120.21 2h3r h ILE 52 Ca 0.18 -1.00 -0.12 0.00 -0.39 0.00 0.00 64.86 63.53 2h3r h ILE 52 Cb 0.13 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.89 2h3r h ILE 52 CO -0.02 0.34 -0.33 0.40 -0.69 0.00 0.00 178.15 177.84 2h3r h ILE 53 N 0.60 1.33 -0.57 -0.67 1.08 -0.47 -2.03 117.51 116.78 2h3r h ILE 53 Ca 0.11 -1.55 -0.04 0.00 -0.39 0.00 0.00 64.86 62.99 2h3r h ILE 53 Cb 0.47 1.83 -0.03 0.00 -3.07 0.00 0.00 36.82 36.03 2h3r h ILE 53 CO 0.02 0.48 0.20 0.58 -0.69 0.00 0.00 178.15 178.74 2h3r h VAL 54 N 0.26 1.22 0.52 1.67 2.07 -0.88 -1.76 116.25 119.35 2h3r h VAL 54 Ca 0.02 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 2h3r h VAL 54 Cb 0.92 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2h3r h VAL 54 CO 0.08 0.28 -0.25 0.28 0.02 0.00 0.00 177.57 177.97 2h3r h SER 55 N 0.83 -0.59 -0.74 0.57 0.02 -1.41 -2.38 113.55 109.86 2h3r h SER 55 Ca 0.19 -0.03 0.14 0.00 -0.84 0.00 0.00 61.79 61.26 2h3r h SER 55 Cb 0.21 0.15 -0.10 0.00 0.14 0.00 0.00 62.40 62.81 2h3r h SER 55 CO -0.01 -0.18 0.27 0.28 -1.14 0.00 0.00 176.83 176.05 2h3r h SER 56 N -1.12 0.22 0.00 3.07 0.02 -1.37 0.13 113.55 114.51 2h3r h SER 56 Ca -0.07 0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2h3r h SER 56 Cb 0.58 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 2h3r h SER 56 CO 0.12 0.08 -0.05 0.28 -1.14 0.00 0.00 176.83 176.11 2h3r h SER 57 N 0.40 -0.15 -0.74 3.07 0.02 -1.37 0.57 113.55 115.35 2h3r h SER 57 Ca 0.41 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.39 2h3r h SER 57 Cb 0.63 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.20 2h3r h SER 57 CO -0.42 -0.08 0.49 0.03 -1.14 0.00 0.00 176.83 175.71 2h3r h ARG 58 N -0.10 0.98 0.34 3.45 3.08 -0.63 0.67 114.38 122.17 2h3r h ARG 58 Ca 0.02 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 2h3r h ARG 58 Cb 0.12 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2h3r h ARG 58 CO -0.05 0.65 -0.16 0.00 -1.07 0.00 0.00 179.97 179.34 2h3r h ALA 59 N 1.27 -0.46 0.00 0.04 0.00 -0.46 -0.28 119.26 119.37 2h3r h ALA 59 Ca 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2h3r h ALA 59 Cb -0.11 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2h3r h ALA 59 CO -0.06 -0.74 -0.05 -0.07 0.00 0.00 0.00 179.25 178.33 2h3r h LEU 60 N -0.50 0.00 -0.53 0.00 3.38 -0.56 -1.26 115.31 115.83 2h3r h LEU 60 Ca -0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 2h3r h LEU 60 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2h3r h LEU 60 CO 0.08 0.05 -0.07 1.23 0.09 0.00 0.00 178.44 179.81 2h3r h GLY 61 N 0.27 1.07 0.98 0.83 0.00 0.14 -0.79 103.07 105.57 2h3r h GLY 61 Ca -0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 47.33 46.48 2h3r h GLY 61 CO 0.01 0.78 0.26 0.00 0.00 0.00 0.00 176.54 177.58 2h3r h ALA 62 N 0.93 0.57 -0.51 3.60 0.00 0.11 -2.25 119.26 121.71 2h3r h ALA 62 Ca 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2h3r h ALA 62 Cb 0.63 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2h3r h ALA 62 CO 0.04 0.07 0.30 0.28 0.00 0.00 0.00 179.25 179.94 2h3r h VAL 63 N 0.59 1.16 0.00 0.00 2.07 -1.30 -1.60 116.25 117.17 2h3r h VAL 63 Ca 0.16 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2h3r h VAL 63 Cb 0.02 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2h3r h VAL 63 CO -0.03 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.73 2h3r n ALA 64 N -2.27 1.28 0.00 1.67 0.00 -0.32 -1.57 120.51 119.30 2h3r n ALA 64 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2h3r n ALA 64 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2h3r n ALA 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2h3r n ARG 66 N 0.76 0.00 -0.09 0.00 1.85 -0.60 -0.97 116.66 117.61 2h3r n ARG 66 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.74 2h3r n ARG 66 Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.38 2h3r n ARG 66 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 2h3r h LYS 67 N 0.00 0.48 -0.34 2.89 1.57 -1.54 -1.88 116.57 117.75 2h3r h LYS 67 Ca 0.00 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2h3r h LYS 67 Cb 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 2h3r h LYS 67 CO 0.00 0.63 0.14 0.82 -0.57 0.00 0.00 179.45 180.48 2h3r h ILE 68 N 0.26 0.95 -0.49 1.86 2.04 -1.30 -0.73 117.51 120.10 2h3r h ILE 68 Ca 0.08 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2h3r h ILE 68 Cb 0.42 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 2h3r h ILE 68 CO 0.01 0.06 0.32 -0.08 0.00 0.00 0.00 178.15 178.46 2h3r h GLU 69 N 0.31 0.65 0.42 2.37 4.81 -1.79 -0.31 114.58 121.03 2h3r h GLU 69 Ca 0.15 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2h3r h GLU 69 Cb 0.09 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 2h3r h GLU 69 CO -0.13 0.44 -0.37 0.00 -0.73 0.00 0.00 179.01 178.22 2h3r h ALA 70 N 1.17 -0.82 -0.26 2.92 0.00 -0.87 0.20 119.26 121.61 2h3r h ALA 70 Ca 0.18 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2h3r h ALA 70 Cb -0.07 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2h3r h ALA 70 CO -0.04 -0.99 0.06 0.87 0.00 0.00 0.00 179.25 179.14 2h3r h LYS 71 N -0.79 0.15 0.57 0.00 1.57 -1.00 0.26 116.57 117.33 2h3r h LYS 71 Ca -0.04 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 2h3r h LYS 71 Cb 0.69 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2h3r h LYS 71 CO -0.03 0.10 -0.43 0.28 -0.57 0.00 0.00 179.45 178.79 2h3r h VAL 72 N 0.16 0.13 -0.99 0.50 2.07 -0.93 0.43 116.25 117.62 2h3r h VAL 72 Ca 0.12 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.83 2h3r h VAL 72 Cb 0.12 0.13 -0.10 0.00 -1.52 0.00 0.00 31.29 29.92 2h3r h VAL 72 CO -0.16 0.00 0.61 -0.09 0.02 0.00 0.00 177.57 177.96 2h3r h ARG 73 N -0.98 0.69 -0.13 1.57 2.43 -0.35 0.10 114.38 117.71 2h3r h ARG 73 Ca -0.07 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2h3r h ARG 73 Cb 0.82 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2h3r h ARG 73 CO 0.01 0.45 0.02 1.03 -1.51 0.00 0.00 179.97 179.98 2h3r h SER 74 N 0.71 0.21 1.45 -3.80 0.87 0.44 -2.97 113.55 110.45 2h3r h SER 74 Ca 0.55 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.85 2h3r h SER 74 Cb 0.93 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2h3r h SER 74 CO -0.32 0.42 0.00 0.03 -0.53 0.00 0.00 176.83 176.43 2h3r h ARG 75 N -0.01 0.00 0.00 2.24 3.08 0.11 -3.20 114.38 116.60 2h3r h ARG 75 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2h3r h ARG 75 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2h3r h ARG 75 CO 0.00 0.00 -0.74 0.00 -1.07 0.00 0.00 179.97 178.16 2h3r n ALA 76 N -1.84 3.92 -0.32 0.04 0.00 0.23 -4.37 120.51 118.17 2h3r n ALA 76 Ca 0.05 -0.44 0.19 0.00 0.00 0.00 0.00 53.44 53.24 2h3r n ALA 76 Cb 0.42 -0.98 0.45 0.00 0.00 0.00 0.00 19.45 19.33 2h3r n ALA 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3r h ALA 77 N 2.93 2.04 0.00 0.00 0.00 -1.52 -0.82 119.26 121.89 2h3r h ALA 77 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2h3r h ALA 77 Cb 0.54 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2h3r h ALA 77 CO 0.00 -0.43 -0.18 1.57 0.00 0.00 0.00 179.25 180.21 2h3r h LYS 78 N 0.51 0.00 -7.01 0.00 2.10 -1.83 -3.44 116.57 106.90 2h3r h LYS 78 Ca 0.58 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.70 2h3r h LYS 78 Cb 1.28 0.00 0.10 0.00 -0.90 0.00 0.00 32.23 32.71 2h3r h LYS 78 CO -0.32 0.18 0.58 0.00 -2.00 0.00 0.00 179.45 177.89 2h3r s ALA 79 N -3.85 2.97 0.00 0.07 0.00 -0.32 -4.93 121.76 115.71 2h3r s ALA 79 Ca -0.01 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.15 2h3r s ALA 79 Cb 0.11 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2h3r s ALA 79 CO 0.61 -1.04 0.04 0.28 0.00 0.00 0.00 175.76 175.65 2h3r n VAL 80 N -0.60 0.00 -4.34 0.00 0.31 -1.26 -4.92 118.33 107.51 2h3r n VAL 80 Ca 0.08 -0.18 -0.18 0.00 -0.01 0.00 0.00 64.34 64.04 2h3r n VAL 80 Cb 0.45 1.13 -0.10 0.00 -0.91 0.00 0.00 33.84 34.42 2h3r n VAL 80 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2h3r s THR 81 N -0.29 1.65 0.24 2.52 -4.23 -1.26 -5.02 115.64 109.25 2h3r s THR 81 Ca 0.00 -2.18 -0.06 0.00 -1.18 0.00 0.00 61.69 58.27 2h3r s THR 81 Cb 0.00 -2.08 0.21 0.00 1.34 0.00 0.00 72.50 71.97 2h3r s THR 81 CO 0.00 -0.57 1.86 -0.33 -0.54 0.00 0.00 174.62 175.03 2h3r h GLU 82 N 2.55 1.22 0.30 3.99 5.08 -1.98 0.14 114.58 125.88 2h3r h GLU 82 Ca -0.38 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 2h3r h GLU 82 Cb 1.22 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2h3r h GLU 82 CO 0.63 0.90 -0.15 1.96 -1.00 0.00 0.00 179.01 181.35 2h3r h GLN 83 N 1.22 -0.39 -0.18 2.33 1.08 -1.98 -0.93 115.11 116.25 2h3r h GLN 83 Ca 0.30 0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.57 2h3r h GLN 83 Cb 0.05 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.53 2h3r h GLN 83 CO -0.05 -0.11 -0.07 0.93 -0.95 0.00 0.00 178.83 178.59 2h3r h GLU 84 N -0.66 -0.04 -0.42 1.46 5.08 -1.91 0.26 114.58 118.35 2h3r h GLU 84 Ca -0.04 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 2h3r h GLU 84 Cb 0.46 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2h3r h GLU 84 CO 0.07 -0.02 0.17 1.25 -1.00 0.00 0.00 179.01 179.47 2h3r h LEU 85 N -0.04 0.20 -0.79 1.33 5.85 -0.70 0.13 115.31 121.29 2h3r h LEU 85 Ca 0.10 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.75 2h3r h LEU 85 Cb 0.18 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2h3r h LEU 85 CO -0.21 0.15 -0.21 0.74 -0.34 0.00 0.00 178.44 178.57 2h3r h THR 86 N 0.34 1.27 -0.20 1.05 2.02 -0.80 -1.74 112.91 114.84 2h3r h THR 86 Ca 0.19 -1.29 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 2h3r h THR 86 Cb 0.16 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2h3r h THR 86 CO -0.18 0.43 0.00 -1.28 0.37 0.00 0.00 175.52 174.86 2h3r h SER 87 N 0.60 0.35 -0.26 4.18 0.87 0.09 -2.58 113.55 116.80 2h3r h SER 87 Ca 0.09 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.33 2h3r h SER 87 Cb 0.69 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2h3r h SER 87 CO 0.05 0.57 0.10 0.25 -0.53 0.00 0.00 176.83 177.27 2h3r h LEU 88 N 0.12 0.36 -0.07 2.23 6.46 -0.68 -2.90 115.31 120.84 2h3r h LEU 88 Ca 0.06 -0.18 0.02 0.00 -0.12 0.00 0.00 57.88 57.66 2h3r h LEU 88 Cb 0.39 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 2h3r h LEU 88 CO 0.01 0.44 -0.06 -0.07 -0.62 0.00 0.00 178.44 178.14 2h3r h LEU 89 N 0.26 -0.19 -0.73 2.25 3.38 -1.33 -2.66 115.31 116.29 2h3r h LEU 89 Ca 0.09 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.20 2h3r h LEU 89 Cb 0.20 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 2h3r h LEU 89 CO -0.01 -0.09 0.36 1.56 0.09 0.00 0.00 178.44 180.35 2h3r h GLN 90 N -0.08 0.57 0.00 1.13 4.20 -1.43 -0.37 115.11 119.13 2h3r h GLN 90 Ca 0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2h3r h GLN 90 Cb 0.15 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2h3r h GLN 90 CO -0.11 0.38 0.00 -1.13 -0.67 0.00 0.00 178.83 177.29 2h3r n SER 91 N -4.88 0.00 -4.73 1.46 3.41 -1.06 -4.86 113.62 102.97 2h3r n SER 91 Ca 0.12 -0.50 -0.42 0.00 -0.26 0.00 0.00 58.87 57.81 2h3r n SER 91 Cb 0.31 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 2h3r n SER 91 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2h3r s LEU 92 N -2.23 4.41 -0.06 1.04 1.43 -0.15 -5.03 118.68 118.09 2h3r s LEU 92 Ca 0.32 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.62 2h3r s LEU 92 Cb 0.17 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.82 2h3r s LEU 92 CO 0.32 -0.46 -0.04 -0.89 0.23 0.00 0.00 176.35 175.51 2h3r s THR 93 N 0.49 0.54 -0.07 5.49 2.01 -1.26 -5.07 115.64 117.77 2h3r s THR 93 Ca 0.57 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.53 2h3r s THR 93 Cb -0.33 -0.60 0.00 0.00 0.01 0.00 0.00 72.50 71.58 2h3r s THR 93 CO 0.33 0.25 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.57 2h3r s LEU 94 N 1.28 1.91 -0.24 4.42 1.43 -1.26 -5.10 118.68 121.12 2h3r s LEU 94 Ca -0.05 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.48 2h3r s LEU 94 Cb -0.14 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.91 2h3r s LEU 94 CO -0.02 0.12 0.29 -0.60 0.23 0.00 0.00 176.35 176.37 2h3r s ARG 95 N 0.35 4.08 -0.07 1.70 3.52 -1.26 -5.07 118.95 122.20 2h3r s ARG 95 Ca -0.13 -0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.45 2h3r s ARG 95 Cb -0.16 -3.57 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 2h3r s ARG 95 CO 0.06 -0.06 -0.17 0.08 -0.81 0.00 0.00 175.30 174.39 2h3r s VAL 96 N 1.42 1.49 -0.13 7.11 1.01 -1.26 -5.11 120.40 124.93 2h3r s VAL 96 Ca 0.13 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.28 2h3r s VAL 96 Cb -0.15 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 2h3r s VAL 96 CO 0.07 0.43 0.26 -1.81 0.00 0.00 0.00 175.10 174.05 2h3r s ASP 97 N 0.39 6.46 -0.01 3.32 -0.00 -1.26 -5.09 116.67 120.48 2h3r s ASP 97 Ca -0.13 0.54 0.02 0.00 -0.00 0.00 0.00 52.55 52.99 2h3r s ASP 97 Cb -0.15 -2.16 -0.00 0.00 -0.00 0.00 0.00 42.92 40.61 2h3r s ASP 97 CO 0.05 0.22 -0.07 0.68 -0.00 0.00 0.00 175.17 176.05 2h3r s VAL 98 N -0.17 0.57 0.00 -1.27 -7.23 -1.26 -4.94 120.40 106.10 2h3r s VAL 98 Ca 0.16 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.03 2h3r s VAL 98 Cb -0.13 -0.48 0.00 0.00 0.56 0.00 0.00 36.38 36.32 2h3r s VAL 98 CO 0.05 0.16 0.00 -0.24 -0.31 0.00 0.00 175.10 174.76 2h3r n SER 99 N 2.94 0.00 0.00 4.85 2.88 -1.26 -5.05 113.62 117.98 2h3r n SER 99 Ca -0.14 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2h3r n SER 99 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2h3r n SER 99 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2h3r n GLU 101 N 0.00 0.00 -0.10 -1.46 0.28 -1.26 -3.98 120.64 114.11 2h3r n GLU 101 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 2h3r n GLU 101 Cb 0.00 0.00 0.15 0.00 1.43 0.00 0.00 31.44 33.02 2h3r n GLU 101 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2h3r n GLU 102 N 0.00 2.19 0.00 3.44 1.02 -1.26 -5.23 120.64 120.80 2h3r n GLU 102 Ca 0.00 -2.01 0.03 0.00 -0.02 0.00 0.00 57.16 55.17 2h3r n GLU 102 Cb 0.00 -1.44 0.20 0.00 -0.02 0.00 0.00 31.44 30.18 2h3r n GLU 102 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59