#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ido s MET 1 N 0.00 4.52 -0.19 -1.46 1.00 0.18 -4.88 119.30 118.47 3ido s MET 1 Ca 0.00 1.67 -0.03 0.00 0.00 0.00 0.00 55.69 57.33 3ido s MET 1 Cb 0.00 -2.99 -0.01 0.00 0.00 0.00 0.00 34.83 31.82 3ido s MET 1 CO 0.00 0.14 -0.06 0.15 0.00 0.00 0.00 175.02 175.25 3ido s LYS 2 N -1.75 3.44 -0.16 2.03 1.02 -1.26 -1.40 119.74 121.66 3ido s LYS 2 Ca 0.48 -0.61 -0.03 0.00 0.02 0.00 0.00 55.97 55.83 3ido s LYS 2 Cb -0.28 -2.92 -0.02 0.00 -0.52 0.00 0.00 37.83 34.09 3ido s LYS 2 CO 0.36 -0.03 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.18 3ido s LEU 3 N 1.04 3.03 -0.19 3.17 1.43 0.42 -1.16 118.68 126.42 3ido s LEU 3 Ca 0.00 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3ido s LEU 3 Cb -0.15 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.36 3ido s LEU 3 CO -0.00 0.14 -0.15 -0.22 0.23 0.00 0.00 176.35 176.35 3ido s LEU 4 N 0.55 2.40 -0.17 1.79 2.96 -0.10 -0.98 118.68 125.13 3ido s LEU 4 Ca -0.05 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.21 3ido s LEU 4 Cb -0.15 -1.57 -0.05 0.00 0.50 0.00 0.00 46.19 44.92 3ido s LEU 4 CO 0.03 -0.00 0.17 -0.36 -1.32 0.00 0.00 176.35 174.87 3ido s PHE 5 N 1.32 3.46 -0.07 5.38 0.08 -0.39 -0.53 117.98 127.22 3ido s PHE 5 Ca 0.05 0.43 0.02 0.00 0.12 0.00 0.00 56.93 57.54 3ido s PHE 5 Cb -0.14 -2.16 0.01 0.00 -0.57 0.00 0.00 43.02 40.17 3ido s PHE 5 CO -0.09 0.37 -0.12 0.08 -0.10 0.00 0.00 175.22 175.36 3ido s VAL 6 N 0.10 1.15 0.00 -0.44 1.01 0.13 -1.85 120.40 120.51 3ido s VAL 6 Ca 0.11 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.62 3ido s VAL 6 Cb -0.12 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.20 3ido s VAL 6 CO 0.00 0.36 0.00 0.00 0.00 0.00 0.00 175.10 175.47 3ido h LEU 8 N 0.00 -0.16 0.00 0.00 5.85 -1.94 -1.80 115.31 117.26 3ido h LEU 8 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3ido h LEU 8 Cb 0.00 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3ido h LEU 8 CO 0.00 0.30 -1.02 0.61 -0.34 0.00 0.00 178.44 177.99 3ido n GLY 9 N 1.29 -1.06 3.69 3.75 0.00 -1.26 -1.11 105.19 110.49 3ido n GLY 9 Ca -0.02 -0.54 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 3ido n GLY 9 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ido n ASN 10 N -1.62 -4.73 0.00 1.61 4.05 -1.26 -4.63 115.26 108.68 3ido n ASN 10 Ca 0.03 -0.66 0.00 0.00 0.45 0.00 0.00 54.58 54.40 3ido n ASN 10 Cb 0.36 -4.57 0.00 0.00 1.23 0.00 0.00 39.78 36.81 3ido n ASN 10 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3ido n ILE 11 N -4.71 0.00 0.00 -1.44 -5.35 -1.26 -4.08 119.36 102.51 3ido n ILE 11 Ca -0.05 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 3ido n ILE 11 Cb 0.58 -0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 3ido n ILE 11 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3ido h ARG 13 N 0.00 -0.25 -0.04 0.00 3.08 -1.95 -2.97 114.38 112.25 3ido h ARG 13 Ca 0.00 0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 3ido h ARG 13 Cb 0.00 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3ido h ARG 13 CO 0.00 0.12 -0.40 0.66 -1.07 0.00 0.00 179.97 179.28 3ido h SER 14 N -0.92 0.10 -0.71 7.04 4.64 -1.88 0.19 113.55 121.99 3ido h SER 14 Ca -0.03 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 3ido h SER 14 Cb 0.49 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.52 3ido h SER 14 CO 0.04 0.49 0.31 -0.65 -0.87 0.00 0.00 176.83 176.15 3ido h PRO 15 N 0.08 1.07 -0.32 4.77 0.11 -1.87 -0.06 132.00 135.79 3ido h PRO 15 Ca 0.01 -0.17 -0.03 0.00 0.11 0.00 0.00 66.00 65.91 3ido h PRO 15 Cb 0.74 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 3ido h PRO 15 CO 0.06 0.86 0.06 0.00 -0.21 0.00 0.00 178.00 178.77 3ido h ALA 16 N 1.28 0.42 -0.45 -0.75 0.00 -1.25 -2.18 119.26 116.34 3ido h ALA 16 Ca 0.25 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.04 3ido h ALA 16 Cb 0.17 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.78 3ido h ALA 16 CO -0.02 0.10 0.09 0.00 0.00 0.00 0.00 179.25 179.42 3ido h ALA 17 N 0.90 0.49 -0.57 0.00 0.00 -0.75 0.10 119.26 119.43 3ido h ALA 17 Ca 0.10 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3ido h ALA 17 Cb 0.32 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3ido h ALA 17 CO 0.00 -0.31 0.34 1.49 0.00 0.00 0.00 179.25 180.78 3ido h GLU 18 N 0.23 0.65 -0.15 0.00 4.81 -0.94 -0.39 114.58 118.79 3ido h GLU 18 Ca 0.22 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3ido h GLU 18 Cb 0.27 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3ido h GLU 18 CO -0.28 0.43 0.02 0.00 -0.73 0.00 0.00 179.01 178.45 3ido h ALA 19 N 1.26 0.20 -0.41 2.92 0.00 -0.72 -2.03 119.26 120.49 3ido h ALA 19 Ca 0.24 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3ido h ALA 19 Cb 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3ido h ALA 19 CO -0.11 -0.12 0.25 0.28 0.00 0.00 0.00 179.25 179.54 3ido h VAL 20 N 0.03 1.13 -0.53 0.00 2.07 -0.85 -1.91 116.25 116.20 3ido h VAL 20 Ca 0.05 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 3ido h VAL 20 Cb 0.32 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 3ido h VAL 20 CO 0.00 0.13 0.23 -0.03 0.02 0.00 0.00 177.57 177.93 3ido h MET 21 N 0.54 0.78 -0.89 1.57 -1.53 -1.07 0.25 114.93 114.57 3ido h MET 21 Ca 0.15 -0.13 0.09 0.00 -3.44 0.00 0.00 59.70 56.37 3ido h MET 21 Cb 0.00 -0.13 -0.07 0.00 -0.55 0.00 0.00 31.60 30.85 3ido h MET 21 CO -0.03 0.67 0.54 0.87 0.14 0.00 0.00 176.91 179.10 3ido h LYS 22 N 0.71 0.89 -0.04 0.39 1.57 -1.16 0.81 116.57 119.73 3ido h LYS 22 Ca 0.18 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3ido h LYS 22 Cb 0.17 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3ido h LYS 22 CO -0.02 0.59 0.01 -0.22 -0.57 0.00 0.00 179.45 179.24 3ido h LYS 23 N 0.91 0.06 -0.45 3.15 1.63 -0.89 -2.00 116.57 118.99 3ido h LYS 23 Ca 0.42 -0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.23 3ido h LYS 23 Cb 0.34 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 3ido h LYS 23 CO -0.23 0.25 0.26 0.28 -3.45 0.00 0.00 179.45 176.56 3ido h VAL 24 N -0.13 1.04 -0.66 2.00 2.07 -0.46 -1.39 116.25 118.72 3ido h VAL 24 Ca 0.01 -0.18 0.01 0.00 0.82 0.00 0.00 66.70 67.36 3ido h VAL 24 Cb 0.21 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 3ido h VAL 24 CO -0.00 0.10 0.44 0.40 0.02 0.00 0.00 177.57 178.52 3ido h ILE 25 N 0.53 1.17 -0.50 4.57 2.04 -0.86 -1.81 117.51 122.64 3ido h ILE 25 Ca 0.18 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.64 3ido h ILE 25 Cb 0.02 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.28 3ido h ILE 25 CO -0.08 0.17 -0.00 -0.61 0.00 0.00 0.00 178.15 177.62 3ido h GLN 26 N 0.90 0.89 -0.29 2.37 4.15 -1.09 -0.40 115.11 121.64 3ido h GLN 26 Ca 0.24 -0.29 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 3ido h GLN 26 Cb -0.10 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 3ido h GLN 26 CO -0.05 0.92 0.17 -0.91 -1.93 0.00 0.00 178.83 177.03 3ido h ASN 27 N 0.76 0.34 -0.33 -0.69 2.35 -1.09 -2.11 115.58 114.81 3ido h ASN 27 Ca 0.14 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3ido h ASN 27 Cb 0.52 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3ido h ASN 27 CO 0.03 0.27 0.00 1.41 -1.65 0.00 0.00 177.43 177.49 3ido n HIS 28 N -4.47 0.49 -3.82 1.19 8.25 -0.70 -4.92 115.22 111.24 3ido n HIS 28 Ca 0.01 -0.23 -0.27 0.00 -0.26 0.00 0.00 57.72 56.97 3ido n HIS 28 Cb 0.09 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 31.21 3ido n HIS 28 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3ido n HIS 29 N 0.47 -2.30 -1.18 4.41 8.25 -0.79 -4.91 115.22 119.17 3ido n HIS 29 Ca 0.11 0.91 0.09 0.00 -0.26 0.00 0.00 57.72 58.57 3ido n HIS 29 Cb 0.32 -4.23 0.16 0.00 1.12 0.00 0.00 29.99 27.35 3ido n HIS 29 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3ido n LEU 30 N -4.63 2.46 0.30 2.41 4.77 -0.20 -4.79 117.00 117.31 3ido n LEU 30 Ca -0.04 -3.25 0.18 0.00 -0.03 0.00 0.00 56.01 52.87 3ido n LEU 30 Cb 0.56 -0.45 0.89 0.00 -2.33 0.00 0.00 43.42 42.09 3ido n LEU 30 CO 0.72 0.85 1.06 0.71 -1.33 0.00 0.00 177.39 179.40 3ido h THR 31 N 0.24 0.11 0.00 -5.08 1.35 -1.84 -0.68 112.91 107.01 3ido h THR 31 Ca 0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3ido h THR 31 Cb 1.01 1.30 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3ido h THR 31 CO 0.01 0.03 -0.10 -0.62 -0.25 0.00 0.00 175.52 174.58 3ido n GLU 32 N -3.19 0.28 -0.06 4.72 -0.58 -1.26 -4.25 120.64 116.29 3ido n GLU 32 Ca -0.01 0.20 -0.05 0.00 -0.42 0.00 0.00 57.16 56.88 3ido n GLU 32 Cb 0.21 -1.80 -0.11 0.00 -0.57 0.00 0.00 31.44 29.17 3ido n GLU 32 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3ido n LYS 33 N -2.27 1.57 -4.21 3.49 4.81 -0.30 -4.56 118.16 116.69 3ido n LYS 33 Ca 0.05 -0.02 -0.23 0.00 -0.87 0.00 0.00 58.31 57.24 3ido n LYS 33 Cb 0.44 -1.35 -0.17 0.00 0.02 0.00 0.00 35.03 33.96 3ido n LYS 33 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3ido s TYR 34 N -2.43 1.06 0.12 5.64 2.02 -0.95 0.52 117.35 123.32 3ido s TYR 34 Ca -0.07 -0.38 0.10 0.00 -0.37 0.00 0.00 57.07 56.36 3ido s TYR 34 Cb 0.05 -0.88 -0.04 0.00 -0.40 0.00 0.00 41.96 40.69 3ido s TYR 34 CO 0.57 -0.28 -0.25 0.96 -1.57 0.00 0.00 175.55 174.99 3ido s ILE 35 N 1.06 2.37 0.16 2.71 -4.36 -0.49 -4.69 121.20 117.97 3ido s ILE 35 Ca -0.08 -1.65 0.09 0.00 -0.26 0.00 0.00 60.65 58.75 3ido s ILE 35 Cb -0.14 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 3ido s ILE 35 CO -0.01 0.13 -0.16 0.00 0.24 0.00 0.00 174.94 175.14 3ido s ASP 37 N -2.55 -0.09 0.05 0.00 2.15 -0.15 -4.93 116.67 111.15 3ido s ASP 37 Ca 0.21 -0.93 -0.05 0.00 0.43 0.00 0.00 52.55 52.22 3ido s ASP 37 Cb -0.09 0.58 -0.02 0.00 -0.30 0.00 0.00 42.92 43.09 3ido s ASP 37 CO 0.12 -1.12 0.08 -0.94 -0.17 0.00 0.00 175.17 173.14 3ido s SER 38 N -3.02 0.26 0.24 -0.34 1.04 -1.26 -1.26 113.70 109.36 3ido s SER 38 Ca 0.22 -0.70 -0.22 0.00 0.48 0.00 0.00 55.95 55.74 3ido s SER 38 Cb -0.00 0.24 0.04 0.00 0.10 0.00 0.00 66.02 66.40 3ido s SER 38 CO 0.09 -0.58 0.84 0.00 0.98 0.00 0.00 173.24 174.56 3ido s ALA 39 N -3.28 -1.35 0.10 5.32 0.00 -0.77 -4.77 121.76 117.01 3ido s ALA 39 Ca 0.01 -0.20 0.06 0.00 0.00 0.00 0.00 51.96 51.83 3ido s ALA 39 Cb 0.03 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 3ido s ALA 39 CO -0.08 -1.04 -0.16 0.20 0.00 0.00 0.00 175.76 174.68 3ido s GLY 40 N -2.98 1.08 0.43 0.00 0.00 0.75 -3.05 107.32 103.54 3ido s GLY 40 Ca 0.13 -1.19 0.17 0.00 0.00 0.00 0.00 44.72 43.83 3ido s GLY 40 CO 0.06 -1.23 1.92 -0.91 0.00 0.00 0.00 173.10 172.94 3ido h THR 41 N 3.92 1.02 -3.25 0.90 1.35 -0.87 0.36 112.91 116.34 3ido h THR 41 Ca -0.42 -0.97 -0.68 0.00 -0.55 0.00 0.00 66.41 63.80 3ido h THR 41 Cb 1.19 1.55 -0.14 0.00 -1.73 0.00 0.00 68.15 69.02 3ido h THR 41 CO 0.44 0.26 -0.61 0.00 -0.25 0.00 0.00 175.52 175.36 3ido n SER 43 N 2.03 2.65 -0.15 0.00 3.41 -1.26 -4.60 113.62 115.70 3ido n SER 43 Ca -0.18 -1.87 -0.06 0.00 -0.26 0.00 0.00 58.87 56.50 3ido n SER 43 Cb 0.54 -0.16 0.01 0.00 -0.26 0.00 0.00 64.21 64.33 3ido n SER 43 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 3ido h TYR 44 N 3.54 -0.75 -0.12 7.33 3.20 -1.93 -1.70 116.97 126.54 3ido h TYR 44 Ca 0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3ido h TYR 44 Cb 0.78 0.40 0.00 0.00 1.54 0.00 0.00 36.73 39.45 3ido h TYR 44 CO 0.16 -0.35 0.00 0.72 -1.64 0.00 0.00 178.16 177.05 3ido n HIS 45 N -5.42 0.15 -1.47 -3.82 8.25 -1.26 -4.97 115.22 106.68 3ido n HIS 45 Ca 0.03 -0.08 -0.53 0.00 -0.26 0.00 0.00 57.72 56.89 3ido n HIS 45 Cb 0.33 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.39 3ido n HIS 45 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 3ido n GLU 46 N 0.01 0.19 0.00 -0.41 2.13 -0.64 -1.30 120.64 120.62 3ido n GLU 46 Ca 0.15 0.07 0.00 0.00 0.66 0.00 0.00 57.16 58.04 3ido n GLU 46 Cb 0.26 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.61 3ido n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3ido n GLY 47 N 1.78 2.83 3.82 8.31 0.00 -0.11 -4.95 105.19 116.88 3ido n GLY 47 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3ido n GLY 47 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ido s GLN 48 N -0.50 4.19 0.85 1.61 -0.21 -0.42 -4.65 119.66 120.53 3ido s GLN 48 Ca 0.00 1.08 -0.12 0.00 0.02 0.00 0.00 55.36 56.35 3ido s GLN 48 Cb 0.00 -2.19 0.10 0.00 1.00 0.00 0.00 33.01 31.92 3ido s GLN 48 CO 0.00 -0.04 1.10 -0.65 -2.12 0.00 0.00 175.29 173.57 3ido s GLN 49 N -3.25 1.63 0.54 2.91 -0.21 -1.26 0.25 119.66 120.27 3ido s GLN 49 Ca 0.61 0.69 -0.22 0.00 0.02 0.00 0.00 55.36 56.47 3ido s GLN 49 Cb -0.09 -1.86 -0.05 0.00 1.00 0.00 0.00 33.01 32.01 3ido s GLN 49 CO 0.15 -1.95 1.33 0.00 -2.12 0.00 0.00 175.29 172.71 3ido s ALA 50 N -3.07 2.82 0.00 6.09 0.00 -1.16 -4.79 121.76 121.65 3ido s ALA 50 Ca 0.62 1.28 -0.37 0.00 0.00 0.00 0.00 51.96 53.49 3ido s ALA 50 Cb -0.16 -3.55 -0.16 0.00 0.00 0.00 0.00 23.12 19.25 3ido s ALA 50 CO 0.55 -1.30 1.45 -3.47 0.00 0.00 0.00 175.76 172.99 3ido n ASP 51 N -1.00 1.89 -0.18 0.00 2.03 0.11 -4.73 116.55 114.66 3ido n ASP 51 Ca 0.10 1.11 0.16 0.00 0.52 0.00 0.00 54.79 56.68 3ido n ASP 51 Cb 0.45 -1.19 0.50 0.00 -0.72 0.00 0.00 41.12 40.17 3ido n ASP 51 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3ido h SER 52 N 5.28 0.39 -0.53 1.67 4.64 -1.91 0.23 113.55 123.33 3ido h SER 52 Ca -0.47 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.81 3ido h SER 52 Cb 1.33 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.34 3ido h SER 52 CO 0.82 0.20 0.08 0.03 -0.87 0.00 0.00 176.83 177.10 3ido h ARG 53 N 0.42 0.88 -0.07 4.77 3.08 -1.98 -1.94 114.38 119.53 3ido h ARG 53 Ca 0.38 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 60.06 3ido h ARG 53 Cb 0.89 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 3ido h ARG 53 CO -0.13 0.86 -0.54 1.98 -1.07 0.00 0.00 179.97 181.08 3ido h MET 54 N 0.77 0.21 -0.45 0.04 4.05 -0.95 -0.81 114.93 117.79 3ido h MET 54 Ca 0.16 -0.13 -0.11 0.00 -0.28 0.00 0.00 59.70 59.35 3ido h MET 54 Cb 0.41 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.21 3ido h MET 54 CO 0.01 0.70 -0.14 0.00 0.23 0.00 0.00 176.91 177.71 3ido h ARG 55 N 0.16 0.89 0.89 0.39 3.08 -1.16 0.33 114.38 118.96 3ido h ARG 55 Ca 0.00 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.65 3ido h ARG 55 Cb 1.00 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 31.02 3ido h ARG 55 CO 0.08 1.00 -0.43 -0.22 -1.07 0.00 0.00 179.97 179.34 3ido h LYS 56 N 0.72 -1.15 -0.75 0.04 3.64 -1.04 -0.30 116.57 117.73 3ido h LYS 56 Ca 0.11 0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3ido h LYS 56 Cb 0.69 0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 32.74 3ido h LYS 56 CO 0.05 -0.76 0.42 0.28 -2.27 0.00 0.00 179.45 177.17 3ido h VAL 57 N -1.25 1.22 0.46 2.00 2.07 -1.19 -1.30 116.25 118.25 3ido h VAL 57 Ca -0.12 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 3ido h VAL 57 Cb 0.92 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3ido h VAL 57 CO 0.20 0.24 -0.36 1.23 0.02 0.00 0.00 177.57 178.90 3ido h GLY 58 N 1.08 -0.90 0.59 2.17 0.00 -0.26 -0.98 103.07 104.76 3ido h GLY 58 Ca 0.27 0.41 0.07 0.00 0.00 0.00 0.00 47.33 48.07 3ido h GLY 58 CO -0.04 -0.32 0.27 1.70 0.00 0.00 0.00 176.54 178.14 3ido h LYS 59 N -0.81 0.49 -0.01 4.80 3.64 -0.22 -0.24 116.57 124.22 3ido h LYS 59 Ca -0.04 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3ido h LYS 59 Cb 0.70 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3ido h LYS 59 CO -0.01 0.32 0.00 1.03 -2.27 0.00 0.00 179.45 178.53 3ido h SER 60 N 0.50 0.00 -0.09 4.20 0.87 -1.04 -0.84 113.55 117.15 3ido h SER 60 Ca 0.27 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3ido h SER 60 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 3ido h SER 60 CO -0.22 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 176.62 3ido n ARG 61 N -4.53 1.75 0.00 2.24 5.12 -0.31 -4.92 116.66 116.01 3ido n ARG 61 Ca -0.03 -1.11 0.00 0.00 -1.93 0.00 0.00 57.85 54.78 3ido n ARG 61 Cb 0.10 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 29.95 3ido n ARG 61 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3ido n GLY 62 N 1.18 1.15 3.12 -0.13 0.00 -0.32 -5.07 105.19 105.12 3ido n GLY 62 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 3ido n GLY 62 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ido s TYR 63 N -2.00 1.37 -0.48 1.61 2.02 -0.25 -4.98 117.35 114.64 3ido s TYR 63 Ca 0.00 -0.28 -0.19 0.00 -0.37 0.00 0.00 57.07 56.23 3ido s TYR 63 Cb 0.00 -0.90 0.05 0.00 -0.40 0.00 0.00 41.96 40.71 3ido s TYR 63 CO 0.00 -0.05 0.59 1.14 -1.57 0.00 0.00 175.55 175.67 3ido s GLN 64 N -0.27 3.14 -0.83 -0.62 -2.07 -1.26 -1.78 119.66 115.97 3ido s GLN 64 Ca 0.04 -0.81 -0.16 0.00 -1.82 0.00 0.00 55.36 52.62 3ido s GLN 64 Cb -0.07 -4.06 0.19 0.00 -1.09 0.00 0.00 33.01 27.98 3ido s GLN 64 CO -0.00 -1.13 0.85 0.08 -1.32 0.00 0.00 175.29 173.77 3ido s VAL 65 N 2.56 5.32 -0.13 3.63 1.01 -1.26 -4.79 120.40 126.74 3ido s VAL 65 Ca 0.15 -2.12 0.19 0.00 0.00 0.00 0.00 61.98 60.20 3ido s VAL 65 Cb -0.18 -4.55 0.30 0.00 0.00 0.00 0.00 36.38 31.95 3ido s VAL 65 CO 0.13 -1.16 1.16 -0.90 0.00 0.00 0.00 175.10 174.34 3ido n ASP 66 N 4.82 2.38 -4.83 3.32 5.75 -1.26 -4.71 116.55 122.03 3ido n ASP 66 Ca 0.14 -3.12 -0.32 0.00 -0.01 0.00 0.00 54.79 51.48 3ido n ASP 66 Cb 0.47 -0.44 -0.01 0.00 -1.03 0.00 0.00 41.12 40.11 3ido n ASP 66 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3ido s SER 67 N -2.86 6.20 -0.21 -1.12 1.04 -1.26 -4.95 113.70 110.54 3ido s SER 67 Ca 0.33 1.67 -0.06 0.00 0.48 0.00 0.00 55.95 58.37 3ido s SER 67 Cb 0.29 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 3ido s SER 67 CO 0.03 -0.88 0.02 -0.63 0.98 0.00 0.00 173.24 172.76 3ido s ILE 68 N -2.59 4.04 0.27 -1.02 -1.09 -1.26 -3.01 121.20 116.55 3ido s ILE 68 Ca 0.61 -0.28 -0.30 0.00 -2.23 0.00 0.00 60.65 58.45 3ido s ILE 68 Cb -0.13 -2.85 -0.13 0.00 -1.58 0.00 0.00 42.46 37.78 3ido s ILE 68 CO 0.35 0.41 1.35 -0.24 -1.23 0.00 0.00 174.94 175.58 3ido n SER 69 N 4.43 2.66 -3.77 3.58 2.88 0.14 -4.79 113.62 118.75 3ido n SER 69 Ca -0.17 1.16 -0.13 0.00 -1.33 0.00 0.00 58.87 58.40 3ido n SER 69 Cb 0.52 -1.43 -0.09 0.00 -0.75 0.00 0.00 64.21 62.45 3ido n SER 69 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ido s ARG 70 N -0.87 0.61 0.21 -1.46 1.70 -1.26 -0.94 118.95 116.94 3ido s ARG 70 Ca 0.64 -0.13 -0.14 0.00 -0.47 0.00 0.00 55.73 55.63 3ido s ARG 70 Cb -0.63 0.27 -0.08 0.00 -0.57 0.00 0.00 34.95 33.94 3ido s ARG 70 CO 0.54 -0.16 0.62 -1.25 -1.08 0.00 0.00 175.30 173.97 3ido s PRO 71 N -1.14 4.00 0.20 3.89 0.04 -1.26 -0.18 135.00 140.55 3ido s PRO 71 Ca -0.12 0.55 -0.33 0.00 0.04 0.00 0.00 61.00 61.14 3ido s PRO 71 Cb -0.05 -2.76 -0.14 0.00 0.04 0.00 0.00 34.50 31.58 3ido s PRO 71 CO 0.03 0.37 1.43 0.28 0.04 0.00 0.00 177.00 179.15 3ido n VAL 72 N 0.36 0.59 -4.43 -0.36 0.31 0.13 -4.68 118.33 110.24 3ido n VAL 72 Ca -0.02 -0.15 -0.26 0.00 -0.01 0.00 0.00 64.34 63.90 3ido n VAL 72 Cb 0.52 -1.38 -0.10 0.00 -0.91 0.00 0.00 33.84 31.97 3ido n VAL 72 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3ido s VAL 73 N 0.26 2.25 0.32 2.52 -7.23 -1.26 -4.96 120.40 112.29 3ido s VAL 73 Ca 0.73 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.98 3ido s VAL 73 Cb -0.70 -2.90 0.29 0.00 0.56 0.00 0.00 36.38 33.63 3ido s VAL 73 CO 0.46 -0.08 1.90 0.28 -0.31 0.00 0.00 175.10 177.35 3ido h SER 74 N 1.74 0.83 0.26 4.85 0.02 -1.97 -1.98 113.55 117.29 3ido h SER 74 Ca -0.43 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 60.51 3ido h SER 74 Cb 1.25 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.63 3ido h SER 74 CO 0.74 0.50 -0.16 0.77 -1.14 0.00 0.00 176.83 177.54 3ido h SER 75 N 0.92 0.00 -0.86 3.07 4.64 -2.01 -2.97 113.55 116.34 3ido h SER 75 Ca 0.41 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.81 3ido h SER 75 Cb 0.36 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.38 3ido h SER 75 CO -0.17 0.16 0.52 0.44 -0.87 0.00 0.00 176.83 176.91 3ido h ASP 76 N 0.00 0.79 -0.11 4.97 3.32 -1.77 0.37 116.42 123.99 3ido h ASP 76 Ca -0.00 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 3ido h ASP 76 Cb 0.33 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3ido h ASP 76 CO 0.02 0.48 0.02 -0.26 -1.72 0.00 0.00 179.24 177.78 3ido h PHE 77 N 0.91 0.26 0.09 4.55 0.04 -1.65 -1.58 116.94 119.55 3ido h PHE 77 Ca 0.40 -0.01 -0.22 0.00 2.80 0.00 0.00 57.97 60.94 3ido h PHE 77 Cb 0.28 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 3ido h PHE 77 CO -0.04 0.26 -1.10 -0.22 -0.60 0.00 0.00 178.31 176.61 3ido h LYS 78 N 0.26 0.18 0.01 1.51 3.64 -1.45 -3.41 116.57 117.32 3ido h LYS 78 Ca 0.06 -0.31 -0.22 0.00 -1.27 0.00 0.00 60.65 58.92 3ido h LYS 78 Cb 0.15 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 3ido h LYS 78 CO 0.00 1.15 -1.03 -0.91 -2.27 0.00 0.00 179.45 176.39 3ido h ASN 79 N -0.52 0.05 -3.46 4.20 2.35 -0.18 -3.44 115.58 114.58 3ido h ASN 79 Ca -0.24 -0.05 -0.51 0.00 -0.55 0.00 0.00 56.30 54.95 3ido h ASN 79 Cb 1.57 -0.02 -0.00 0.00 0.05 0.00 0.00 38.32 39.92 3ido h ASN 79 CO 0.02 1.04 -0.01 -0.36 -1.65 0.00 0.00 177.43 176.47 3ido s PHE 80 N -2.70 3.47 -0.15 1.19 0.40 -0.61 -4.86 117.98 114.71 3ido s PHE 80 Ca 0.00 0.86 -0.04 0.00 -0.60 0.00 0.00 56.93 57.16 3ido s PHE 80 Cb 0.10 -2.28 -0.24 0.00 0.51 0.00 0.00 43.02 41.11 3ido s PHE 80 CO 0.83 0.05 0.22 -0.25 0.70 0.00 0.00 175.22 176.77 3ido n ASP 81 N -1.03 2.03 -3.96 1.36 8.00 -0.31 -4.87 116.55 117.77 3ido n ASP 81 Ca 0.00 0.12 -0.12 0.00 0.71 0.00 0.00 54.79 55.51 3ido n ASP 81 Cb 0.54 -0.70 -0.13 0.00 -0.02 0.00 0.00 41.12 40.81 3ido n ASP 81 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3ido s TYR 82 N -2.55 0.32 -0.06 1.24 2.02 -1.04 -4.71 117.35 112.57 3ido s TYR 82 Ca -0.25 -0.27 -0.01 0.00 -0.37 0.00 0.00 57.07 56.18 3ido s TYR 82 Cb 0.07 -0.21 0.03 0.00 -0.40 0.00 0.00 41.96 41.45 3ido s TYR 82 CO 0.73 -0.07 -0.01 0.42 -1.57 0.00 0.00 175.55 175.05 3ido s ILE 83 N -0.71 0.42 -0.23 2.71 1.01 -0.30 -0.92 121.20 123.18 3ido s ILE 83 Ca -0.06 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.63 3ido s ILE 83 Cb -0.05 -0.54 0.02 0.00 0.01 0.00 0.00 42.46 41.90 3ido s ILE 83 CO -0.00 0.25 -0.08 -0.36 0.00 0.00 0.00 174.94 174.75 3ido s PHE 84 N 1.66 3.01 0.10 3.97 0.08 0.31 -0.72 117.98 126.39 3ido s PHE 84 Ca 0.00 -1.47 -0.25 0.00 0.12 0.00 0.00 56.93 55.33 3ido s PHE 84 Cb -0.13 -2.05 -0.07 0.00 -0.57 0.00 0.00 43.02 40.21 3ido s PHE 84 CO -0.04 -0.71 0.76 0.00 -0.10 0.00 0.00 175.22 175.13 3ido s ALA 85 N 1.34 3.42 0.11 5.36 0.00 -0.47 0.22 121.76 131.74 3ido s ALA 85 Ca 0.02 0.30 -0.11 0.00 0.00 0.00 0.00 51.96 52.16 3ido s ALA 85 Cb -0.16 -2.96 -0.13 0.00 0.00 0.00 0.00 23.12 19.88 3ido s ALA 85 CO -0.05 0.18 1.32 0.52 0.00 0.00 0.00 175.76 177.73 3ido h MET 86 N 5.02 0.76 0.00 0.00 2.86 -1.07 -0.82 114.93 121.68 3ido h MET 86 Ca -0.46 -0.62 -0.50 0.00 -2.06 0.00 0.00 59.70 56.06 3ido h MET 86 Cb 1.21 0.13 -0.13 0.00 0.06 0.00 0.00 31.60 32.87 3ido h MET 86 CO 0.68 1.23 -0.47 -0.40 1.06 0.00 0.00 176.91 179.01 3ido n ASP 87 N -3.93 -0.19 -0.32 1.22 5.68 -1.26 -0.53 116.55 117.22 3ido n ASP 87 Ca -0.07 -3.21 -0.04 0.00 -0.50 0.00 0.00 54.79 50.97 3ido n ASP 87 Cb 0.74 1.52 0.08 0.00 -1.14 0.00 0.00 41.12 42.32 3ido n ASP 87 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3ido h ASN 88 N 1.95 1.08 -0.78 -1.12 2.35 -1.92 -1.33 115.58 115.82 3ido h ASN 88 Ca -0.26 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.41 3ido h ASN 88 Cb 1.22 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 39.27 3ido h ASN 88 CO 0.39 0.86 0.51 0.44 -1.65 0.00 0.00 177.43 177.98 3ido h ASP 89 N 1.21 0.88 -0.66 5.81 3.32 -1.99 0.15 116.42 125.14 3ido h ASP 89 Ca 0.31 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 3ido h ASP 89 Cb 0.01 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3ido h ASP 89 CO -0.05 0.64 0.08 0.78 -1.72 0.00 0.00 179.24 178.96 3ido h ASN 90 N 1.04 1.08 0.36 6.45 -0.26 -1.82 -1.12 115.58 121.30 3ido h ASN 90 Ca 0.29 -0.27 -0.02 0.00 -0.56 0.00 0.00 56.30 55.74 3ido h ASN 90 Cb -0.11 -0.29 0.00 0.00 -1.06 0.00 0.00 38.32 36.87 3ido h ASN 90 CO -0.07 1.08 -0.19 0.22 -1.06 0.00 0.00 177.43 177.41 3ido h TYR 91 N 1.04 -0.49 0.00 1.19 3.20 -0.57 -0.26 116.97 121.08 3ido h TYR 91 Ca 0.20 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 3ido h TYR 91 Cb 0.48 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 3ido h TYR 91 CO 0.04 -0.30 -0.54 1.88 -1.64 0.00 0.00 178.16 177.59 3ido h TYR 92 N -0.51 0.00 -0.45 -3.82 0.05 -0.96 -2.12 116.97 109.15 3ido h TYR 92 Ca -0.04 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.64 3ido h TYR 92 Cb 0.40 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 3ido h TYR 92 CO -0.07 0.54 -0.09 1.49 -1.05 0.00 0.00 178.16 178.98 3ido h GLU 93 N 0.00 0.86 -0.38 4.88 4.57 -1.14 0.00 114.58 123.38 3ido h GLU 93 Ca -0.01 -0.32 -0.05 0.00 -1.18 0.00 0.00 59.36 57.80 3ido h GLU 93 Cb 1.05 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.58 3ido h GLU 93 CO 0.07 0.95 0.04 -0.07 -1.18 0.00 0.00 179.01 178.82 3ido h LEU 94 N 0.70 0.62 -0.95 1.64 3.38 -0.88 -2.90 115.31 116.91 3ido h LEU 94 Ca 0.12 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 3ido h LEU 94 Cb 0.63 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3ido h LEU 94 CO 0.04 0.74 0.57 -0.07 0.09 0.00 0.00 178.44 179.82 3ido h LEU 95 N 0.47 1.14 -1.31 1.67 3.38 -1.32 -0.83 115.31 118.52 3ido h LEU 95 Ca 0.11 -0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.10 3ido h LEU 95 Cb 0.40 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3ido h LEU 95 CO 0.01 0.87 0.53 -0.78 0.09 0.00 0.00 178.44 179.16 3ido h ASP 96 N 1.31 0.70 0.33 -0.43 3.58 -0.80 -2.99 116.42 118.12 3ido h ASP 96 Ca 0.34 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.81 3ido h ASP 96 Cb -0.06 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.86 3ido h ASP 96 CO -0.06 0.42 -1.35 0.54 -2.88 0.00 0.00 179.24 175.91 3ido n ARG 97 N -4.50 0.43 -2.54 0.28 1.74 -0.92 -4.95 116.66 106.20 3ido n ARG 97 Ca 0.13 -0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.74 3ido n ARG 97 Cb 0.30 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 3ido n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ido n PRO 99 N 3.69 1.96 -0.21 0.00 -0.02 -1.26 -4.80 135.00 134.36 3ido n PRO 99 Ca 0.07 0.71 0.02 0.00 -2.02 0.00 0.00 63.50 62.27 3ido n PRO 99 Cb 0.48 -2.56 0.11 0.00 -0.02 0.00 0.00 33.50 31.51 3ido n PRO 99 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3ido h GLU 100 N 1.89 0.12 0.00 -0.52 4.57 -1.96 0.19 114.58 118.88 3ido h GLU 100 Ca -0.50 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3ido h GLU 100 Cb 1.29 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.85 3ido h GLU 100 CO 0.59 0.08 0.19 -0.56 -1.18 0.00 0.00 179.01 178.13 3ido h GLN 101 N 0.13 0.00 -0.00 1.92 3.07 -2.03 -2.86 115.11 115.34 3ido h GLN 101 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.08 3ido h GLN 101 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.11 3ido h GLN 101 CO -0.54 0.00 -0.03 0.66 0.09 0.00 0.00 178.83 179.01 3ido n TYR 102 N -2.17 0.00 0.10 0.06 4.01 0.04 -4.74 117.16 114.45 3ido n TYR 102 Ca -0.01 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.87 3ido n TYR 102 Cb 0.22 0.00 0.64 0.00 -0.31 0.00 0.00 39.34 39.89 3ido n TYR 102 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3ido h LYS 103 N 0.11 0.06 0.00 -0.72 1.57 -1.35 -1.86 116.57 114.38 3ido h LYS 103 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ido h LYS 103 Cb 0.04 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3ido h LYS 103 CO 0.00 0.04 0.00 0.00 -0.57 0.00 0.00 179.45 178.92 3ido n GLN 104 N -4.46 0.07 0.05 3.15 0.00 -1.26 -2.00 117.38 112.93 3ido n GLN 104 Ca 0.04 0.41 0.13 0.00 0.00 0.00 0.00 57.00 57.58 3ido n GLN 104 Cb 0.36 -1.66 0.49 0.00 0.00 0.00 0.00 30.24 29.43 3ido n GLN 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3ido n LYS 105 N -1.79 0.12 -3.37 2.61 5.02 -0.70 -4.87 118.16 115.18 3ido n LYS 105 Ca 0.02 0.16 -0.38 0.00 -2.02 0.00 0.00 58.31 56.09 3ido n LYS 105 Cb 0.12 -1.65 -0.07 0.00 -0.02 0.00 0.00 35.03 33.42 3ido n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ido s ILE 106 N -3.07 5.21 0.13 -0.18 1.01 -0.85 -1.15 121.20 122.30 3ido s ILE 106 Ca 0.11 0.82 0.04 0.00 0.00 0.00 0.00 60.65 61.61 3ido s ILE 106 Cb 0.14 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 3ido s ILE 106 CO 0.51 0.32 -0.09 -0.36 0.00 0.00 0.00 174.94 175.31 3ido s PHE 107 N 0.78 1.13 -0.12 3.97 0.08 0.10 -4.97 117.98 118.95 3ido s PHE 107 Ca 0.22 -0.79 -0.21 0.00 0.12 0.00 0.00 56.93 56.27 3ido s PHE 107 Cb -0.15 -0.60 -0.03 0.00 -0.57 0.00 0.00 43.02 41.67 3ido s PHE 107 CO 0.08 0.00 0.61 0.15 -0.10 0.00 0.00 175.22 175.97 3ido s LYS 108 N -3.64 4.35 0.29 0.44 1.02 -1.26 -1.37 119.74 119.56 3ido s LYS 108 Ca 0.14 0.68 0.03 0.00 0.02 0.00 0.00 55.97 56.84 3ido s LYS 108 Cb 0.03 -3.48 0.72 0.00 -0.52 0.00 0.00 37.83 34.58 3ido s LYS 108 CO -0.01 0.01 1.69 1.98 -0.92 0.00 0.00 175.35 178.10 3ido h MET 109 N 6.94 0.36 0.00 1.68 1.85 -1.45 -1.64 114.93 122.67 3ido h MET 109 Ca -0.38 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.69 3ido h MET 109 Cb 1.18 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 33.13 3ido h MET 109 CO 0.76 0.24 0.00 1.33 -0.40 0.00 0.00 176.91 178.84 3ido n VAL 110 N -5.07 0.68 1.61 -5.77 0.24 -1.26 -2.12 118.33 106.63 3ido n VAL 110 Ca 0.22 0.09 0.11 0.00 -2.04 0.00 0.00 64.34 62.72 3ido n VAL 110 Cb 0.66 -0.88 0.68 0.00 -1.47 0.00 0.00 33.84 32.83 3ido n VAL 110 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3ido n ASP 111 N -1.89 0.00 -0.58 -1.34 8.00 -0.62 -1.87 116.55 118.24 3ido n ASP 111 Ca 0.04 -0.89 0.07 0.00 0.71 0.00 0.00 54.79 54.72 3ido n ASP 111 Cb 0.27 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.44 3ido n ASP 111 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ido n PHE 112 N -0.95 0.02 -2.18 1.24 3.72 -0.90 -4.99 117.46 113.42 3ido n PHE 112 Ca 0.17 -0.02 -0.42 0.00 -0.05 0.00 0.00 57.45 57.13 3ido n PHE 112 Cb 0.08 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 3ido n PHE 112 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ido n THR 114 N 3.91 0.00 0.00 0.00 -2.24 -1.26 -4.85 114.28 109.83 3ido n THR 114 Ca 0.11 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3ido n THR 114 Cb 0.42 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 3ido n THR 114 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3ido n THR 115 N -1.38 0.00 -2.87 4.28 -2.24 -1.26 -5.03 114.28 105.78 3ido n THR 115 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 3ido n THR 115 Cb 0.13 -0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 67.79 3ido n THR 115 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3ido s ILE 116 N -1.79 4.90 -0.56 2.28 1.01 -1.26 -5.01 121.20 120.77 3ido s ILE 116 Ca 0.00 1.70 -0.22 0.00 0.00 0.00 0.00 60.65 62.13 3ido s ILE 116 Cb 0.00 -4.16 0.06 0.00 0.01 0.00 0.00 42.46 38.37 3ido s ILE 116 CO 0.00 0.09 0.82 -0.54 0.00 0.00 0.00 174.94 175.31 3ido s LYS 117 N 1.70 3.19 -0.05 2.79 1.02 -1.26 -4.90 119.74 122.23 3ido s LYS 117 Ca 0.41 -0.68 -0.14 0.00 0.02 0.00 0.00 55.97 55.57 3ido s LYS 117 Cb -0.18 -4.12 0.03 0.00 -0.52 0.00 0.00 37.83 33.04 3ido s LYS 117 CO 0.16 -1.47 0.33 -0.08 -0.92 0.00 0.00 175.35 173.37 3ido s THR 118 N 3.42 0.04 -0.82 2.17 -1.32 -1.26 -5.04 115.64 112.83 3ido s THR 118 Ca 0.22 -0.34 0.25 0.00 -1.21 0.00 0.00 61.69 60.62 3ido s THR 118 Cb -0.17 -0.59 0.09 0.00 -1.51 0.00 0.00 72.50 70.33 3ido s THR 118 CO 0.14 -0.18 1.49 0.35 -2.21 0.00 0.00 174.62 174.21 3ido n THR 119 N 1.71 0.22 -3.67 5.08 -2.24 -1.26 -4.96 114.28 109.16 3ido n THR 119 Ca -0.19 -0.15 -0.08 0.00 -2.27 0.00 0.00 64.05 61.36 3ido n THR 119 Cb 0.56 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 3ido n THR 119 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 3ido s GLU 120 N -3.08 1.44 -0.51 -0.78 -1.05 -1.26 -4.73 118.70 108.72 3ido s GLU 120 Ca 0.09 -0.70 -0.22 0.00 -0.15 0.00 0.00 54.97 53.99 3ido s GLU 120 Cb 0.15 0.55 0.04 0.00 -0.44 0.00 0.00 34.13 34.43 3ido s GLU 120 CO 0.67 -0.65 0.80 0.08 0.95 0.00 0.00 175.26 177.11 3ido s VAL 121 N -3.69 4.62 0.39 1.83 1.01 0.31 -4.99 120.40 119.88 3ido s VAL 121 Ca 0.07 0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.89 3ido s VAL 121 Cb -0.03 -4.40 -0.09 0.00 0.00 0.00 0.00 36.38 31.86 3ido s VAL 121 CO -0.02 -0.90 1.15 -2.16 0.00 0.00 0.00 175.10 173.18 3ido s PRO 122 N 3.35 4.13 -0.10 2.72 0.05 -1.26 -4.53 135.00 139.36 3ido s PRO 122 Ca 0.25 1.80 -0.29 0.00 0.05 0.00 0.00 61.00 62.81 3ido s PRO 122 Cb -0.14 -2.72 -0.05 0.00 0.05 0.00 0.00 34.50 31.64 3ido s PRO 122 CO 0.18 -0.24 1.64 0.34 0.05 0.00 0.00 177.00 178.97 3ido s ASP 123 N -1.15 6.58 0.00 6.66 -1.08 -1.26 -4.87 116.67 121.55 3ido s ASP 123 Ca 0.56 2.07 0.24 0.00 -0.52 0.00 0.00 52.55 54.90 3ido s ASP 123 Cb -0.30 -2.53 0.38 0.00 -1.46 0.00 0.00 42.92 39.01 3ido s ASP 123 CO 0.38 -1.02 1.32 -0.81 0.52 0.00 0.00 175.17 175.56 3ido n PRO 124 N 7.27 0.13 -0.26 4.34 -0.04 -1.26 -4.64 135.00 140.54 3ido n PRO 124 Ca 0.18 -0.09 0.06 0.00 -0.04 0.00 0.00 63.50 63.62 3ido n PRO 124 Cb 0.43 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.60 3ido n PRO 124 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3ido h TYR 125 N 0.21 0.46 -0.54 0.54 3.20 -1.95 -1.90 116.97 116.99 3ido h TYR 125 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3ido h TYR 125 Cb 0.51 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.69 3ido h TYR 125 CO 0.00 0.00 0.00 0.66 -1.64 0.00 0.00 178.16 177.18 3ido n TYR 126 N -5.05 0.96 -4.33 -3.82 4.01 -1.26 -4.93 117.16 102.74 3ido n TYR 126 Ca 0.15 -0.42 -0.15 0.00 -0.16 0.00 0.00 57.90 57.33 3ido n TYR 126 Cb 0.46 -0.10 -0.03 0.00 -0.31 0.00 0.00 39.34 39.36 3ido n TYR 126 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ido n GLY 127 N 1.18 3.85 2.21 2.72 0.00 -0.71 -5.16 105.19 109.27 3ido n GLY 127 Ca 0.20 -2.22 -0.16 0.00 0.00 0.00 0.00 46.02 43.84 3ido n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ido n GLY 128 N 1.80 -0.77 0.22 -0.02 0.00 -1.26 -4.94 105.19 100.22 3ido n GLY 128 Ca -0.08 -1.78 0.06 0.00 0.00 0.00 0.00 46.02 44.22 3ido n GLY 128 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ido h GLU 129 N 0.00 0.00 -0.44 1.61 5.08 -1.99 -2.54 114.58 116.30 3ido h GLU 129 Ca -0.23 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.21 3ido h GLU 129 Cb 0.68 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3ido h GLU 129 CO 0.18 0.21 0.30 0.87 -1.00 0.00 0.00 179.01 179.57 3ido h LYS 130 N 0.00 0.26 -0.13 2.33 1.79 -1.99 -0.66 116.57 118.17 3ido h LYS 130 Ca -0.00 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.36 3ido h LYS 130 Cb 0.41 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 3ido h LYS 130 CO 0.03 0.17 -0.32 0.78 -1.08 0.00 0.00 179.45 179.03 3ido h GLY 131 N 0.27 0.27 1.37 3.86 0.00 -1.81 -1.68 103.07 105.34 3ido h GLY 131 Ca 0.20 -0.23 -0.21 0.00 0.00 0.00 0.00 47.33 47.08 3ido h GLY 131 CO -0.04 0.21 -0.80 0.74 0.00 0.00 0.00 176.54 176.65 3ido h PHE 132 N 0.22 0.84 -0.38 5.60 0.04 -1.24 -2.25 116.94 119.78 3ido h PHE 132 Ca 0.03 -0.39 -0.03 0.00 2.80 0.00 0.00 57.97 60.39 3ido h PHE 132 Cb 0.69 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.70 3ido h PHE 132 CO 0.01 1.19 0.13 0.45 -0.60 0.00 0.00 178.31 179.50 3ido h HIS 133 N 0.40 0.59 -0.68 -0.55 3.86 -1.28 -2.38 115.15 115.11 3ido h HIS 133 Ca -0.05 -0.05 0.14 0.00 -1.16 0.00 0.00 60.37 59.24 3ido h HIS 133 Cb 1.42 -0.17 -0.10 0.00 1.06 0.00 0.00 27.41 29.61 3ido h HIS 133 CO 0.07 0.55 0.18 -0.09 0.86 0.00 0.00 177.93 179.50 3ido h ARG 134 N 0.46 0.29 -0.34 2.45 9.65 -1.25 0.21 114.38 125.86 3ido h ARG 134 Ca 0.12 -0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.04 3ido h ARG 134 Cb 0.23 -0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.69 3ido h ARG 134 CO -0.01 0.19 0.05 0.28 2.80 0.00 0.00 179.97 183.28 3ido h VAL 135 N 0.30 0.80 -0.45 0.20 2.07 -1.03 -1.75 116.25 116.40 3ido h VAL 135 Ca 0.37 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.81 3ido h VAL 135 Cb 0.58 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3ido h VAL 135 CO -0.44 0.03 0.16 0.40 0.02 0.00 0.00 177.57 177.74 3ido h ILE 136 N 0.16 1.21 -0.70 4.57 1.08 -0.66 -1.62 117.51 121.54 3ido h ILE 136 Ca 0.16 -0.68 0.14 0.00 -0.39 0.00 0.00 64.86 64.10 3ido h ILE 136 Cb 0.20 0.82 -0.10 0.00 -3.07 0.00 0.00 36.82 34.67 3ido h ILE 136 CO -0.23 0.25 0.19 0.44 -0.69 0.00 0.00 178.15 178.10 3ido h ASP 137 N 0.58 0.06 0.24 1.72 3.32 -0.32 0.11 116.42 122.13 3ido h ASP 137 Ca 0.15 0.13 -0.15 0.00 0.02 0.00 0.00 57.03 57.17 3ido h ASP 137 Cb 0.22 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 3ido h ASP 137 CO -0.01 0.00 -0.59 0.40 -1.72 0.00 0.00 179.24 177.32 3ido h ILE 138 N 0.30 1.36 0.02 0.35 2.04 -0.85 -2.78 117.51 117.94 3ido h ILE 138 Ca 0.39 -1.92 -0.20 0.00 1.00 0.00 0.00 64.86 64.12 3ido h ILE 138 Cb 0.62 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 3ido h ILE 138 CO -0.46 0.58 -0.95 -0.07 0.00 0.00 0.00 178.15 177.24 3ido h LEU 139 N 0.27 0.10 -0.69 1.44 3.38 -0.33 -1.17 115.31 118.31 3ido h LEU 139 Ca -0.00 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3ido h LEU 139 Cb 1.11 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 3ido h LEU 139 CO 0.10 0.99 -0.08 -0.33 0.09 0.00 0.00 178.44 179.22 3ido h GLU 140 N 0.03 0.93 0.80 1.13 5.08 -0.77 -1.20 114.58 120.58 3ido h GLU 140 Ca -0.03 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 57.97 3ido h GLU 140 Cb 1.65 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.83 3ido h GLU 140 CO 0.13 0.97 -0.39 0.22 -1.00 0.00 0.00 179.01 178.95 3ido h ASP 141 N 0.84 -0.91 -0.42 1.42 3.58 -1.42 -3.15 116.42 116.35 3ido h ASP 141 Ca 0.14 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.63 3ido h ASP 141 Cb 0.60 0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 3ido h ASP 141 CO 0.04 -0.56 0.26 0.00 -2.88 0.00 0.00 179.24 176.11 3ido h ALA 142 N -1.25 0.54 -0.64 -0.78 0.00 -1.24 -3.04 119.26 112.85 3ido h ALA 142 Ca -0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3ido h ALA 142 Cb 0.83 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3ido h ALA 142 CO 0.18 -0.05 0.26 0.00 0.00 0.00 0.00 179.25 179.65 3ido h GLU 144 N 0.90 0.15 -0.58 0.00 4.39 -1.50 -2.36 114.58 115.58 3ido h GLU 144 Ca 0.22 -0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.84 3ido h GLU 144 Cb 0.19 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3ido h GLU 144 CO -0.02 0.15 0.12 -0.97 -1.16 0.00 0.00 179.01 177.13 3ido h ASN 145 N 0.11 0.86 -0.54 1.42 -1.24 -1.45 -3.16 115.58 111.59 3ido h ASN 145 Ca 0.04 -0.17 0.01 0.00 0.71 0.00 0.00 56.30 56.88 3ido h ASN 145 Cb 0.04 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 38.83 3ido h ASN 145 CO -0.01 0.86 0.35 0.25 -1.29 0.00 0.00 177.43 177.59 3ido h LEU 146 N 0.88 0.60 -0.89 0.34 5.85 -0.75 -1.06 115.31 120.27 3ido h LEU 146 Ca 0.19 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3ido h LEU 146 Cb 0.35 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3ido h LEU 146 CO 0.00 0.43 0.48 -0.29 -0.34 0.00 0.00 178.44 178.73 3ido h ILE 147 N 0.71 1.26 0.18 4.05 6.09 -1.41 0.85 117.51 129.25 3ido h ILE 147 Ca 0.20 -0.66 0.01 0.00 -1.37 0.00 0.00 64.86 63.03 3ido h ILE 147 Cb -0.07 0.06 -0.02 0.00 0.47 0.00 0.00 36.82 37.27 3ido h ILE 147 CO -0.05 0.30 -0.21 0.40 -3.07 0.00 0.00 178.15 175.51 3ido h ILE 148 N 1.25 0.53 -0.34 2.19 2.04 -1.43 -1.51 117.51 120.24 3ido h ILE 148 Ca 0.31 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.15 3ido h ILE 148 Cb 0.04 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 3ido h ILE 148 CO -0.05 0.00 0.13 0.11 0.00 0.00 0.00 178.15 178.34 3ido h LYS 149 N -0.44 0.48 -0.34 2.37 1.79 -0.72 0.43 116.57 120.15 3ido h LYS 149 Ca 0.01 -0.06 -0.08 0.00 -2.18 0.00 0.00 60.65 58.34 3ido h LYS 149 Cb 0.43 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 3ido h LYS 149 CO -0.07 0.41 -0.10 -0.07 -1.08 0.00 0.00 179.45 178.54 3ido h LEU 150 N 0.48 0.68 -0.75 2.94 3.38 -0.63 -1.85 115.31 119.56 3ido h LEU 150 Ca 0.12 -0.37 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 3ido h LEU 150 Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3ido h LEU 150 CO -0.01 0.90 -0.45 -0.08 0.09 0.00 0.00 178.44 178.89 3ido h GLU 151 N 0.46 0.00 0.00 1.13 4.57 -0.69 -1.06 114.58 118.99 3ido h GLU 151 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3ido h GLU 151 Cb 0.61 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3ido h GLU 151 CO 0.04 0.45 0.00 0.39 -1.18 0.00 0.00 179.01 178.70 3ido n GLU 152 N -3.51 0.39 -1.39 1.92 1.02 0.09 -4.91 120.64 114.25 3ido n GLU 152 Ca -0.00 0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 3ido n GLU 152 Cb 0.57 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.44 3ido n GLU 152 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ido n GLY 153 N 0.86 1.22 0.21 0.62 0.00 -0.40 -4.92 105.19 102.77 3ido n GLY 153 Ca 0.12 -0.47 0.15 0.00 0.00 0.00 0.00 46.02 45.82 3ido n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ido h LYS 154 N 0.00 0.00 0.00 1.61 1.79 -1.56 -3.14 116.57 115.27 3ido h LYS 154 Ca -0.24 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 3ido h LYS 154 Cb 0.80 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 3ido h LYS 154 CO 0.35 0.00 -0.17 1.28 -1.08 0.00 0.00 179.45 179.83 3ido n LEU 155 N -2.73 0.19 -4.70 2.94 4.77 -1.26 -4.86 117.00 111.36 3ido n LEU 155 Ca 0.02 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.92 3ido n LEU 155 Cb 0.32 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3ido n LEU 155 CO 0.26 0.03 1.43 -0.63 -1.33 0.00 0.00 177.39 177.16 3ido s ILE 156 N -3.01 2.39 -2.07 -0.08 1.01 -1.19 -5.04 121.20 113.22 3ido s ILE 156 Ca 0.13 0.06 0.31 0.00 0.00 0.00 0.00 60.65 61.15 3ido s ILE 156 Cb 0.18 -3.04 0.86 0.00 0.01 0.00 0.00 42.46 40.47 3ido s ILE 156 CO 0.59 0.00 2.16 -3.20 0.00 0.00 0.00 174.94 174.49