#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3acb n MET 4 N 0.00 0.00 -1.86 1.61 2.81 -1.26 -5.11 117.12 113.31 3acb n MET 4 Ca 0.00 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.47 3acb n MET 4 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.48 3acb n MET 4 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3acb s PHE 5 N 0.00 1.66 -0.09 2.03 0.08 -1.26 -4.98 117.98 115.42 3acb s PHE 5 Ca 0.00 0.08 0.03 0.00 0.12 0.00 0.00 56.93 57.15 3acb s PHE 5 Cb 0.00 -4.04 0.01 0.00 -0.57 0.00 0.00 43.02 38.42 3acb s PHE 5 CO 0.00 -4.30 -0.18 0.99 -0.10 0.00 0.00 175.22 171.63 3acb s THR 6 N 4.92 1.62 0.61 0.64 2.01 -1.26 -5.13 115.64 119.04 3acb s THR 6 Ca 0.81 -0.75 -0.15 0.00 0.31 0.00 0.00 61.69 61.91 3acb s THR 6 Cb -0.35 -1.44 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 3acb s THR 6 CO 0.34 0.46 1.06 -2.16 -0.69 0.00 0.00 174.62 173.64 3acb s PRO 7 N 0.63 3.24 1.01 4.92 0.04 -1.26 -5.05 135.00 138.52 3acb s PRO 7 Ca -0.14 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 61.94 3acb s PRO 7 Cb -0.16 -2.02 0.23 0.00 0.04 0.00 0.00 34.50 32.59 3acb s PRO 7 CO 0.04 -0.88 1.31 0.41 0.04 0.00 0.00 177.00 177.92 3acb n GLY 8 N -1.00 -1.65 0.87 0.56 0.00 -1.24 -4.97 105.19 97.75 3acb n GLY 8 Ca 0.09 -1.69 0.10 0.00 0.00 0.00 0.00 46.02 44.53 3acb n GLY 8 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3acb n ASN 9 N -3.98 2.59 -4.57 1.61 3.02 -1.06 -4.68 115.26 108.20 3acb n ASN 9 Ca 0.17 -1.89 -0.28 0.00 -0.03 0.00 0.00 54.58 52.54 3acb n ASN 9 Cb 0.58 -0.22 0.21 0.00 -0.61 0.00 0.00 39.78 39.74 3acb n ASN 9 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3acb s GLY 10 N -1.39 1.55 0.27 7.41 0.00 0.60 -4.59 107.32 111.16 3acb s GLY 10 Ca 0.35 -0.33 0.26 0.00 0.00 0.00 0.00 44.72 44.99 3acb s GLY 10 CO 0.27 0.35 1.76 -0.56 0.00 0.00 0.00 173.10 174.92 3acb h PRO 11 N -2.26 0.00 -5.12 2.90 0.13 -1.85 -3.44 132.00 122.36 3acb h PRO 11 Ca -0.58 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 63.93 3acb h PRO 11 Cb 1.34 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.30 3acb h PRO 11 CO 0.54 0.00 -0.54 0.08 -0.23 0.00 0.00 178.00 177.85 3acb s VAL 12 N -3.23 5.03 -0.13 1.56 1.01 -1.26 -5.06 120.40 118.32 3acb s VAL 12 Ca 0.07 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 3acb s VAL 12 Cb 0.10 -3.33 0.07 0.00 0.00 0.00 0.00 36.38 33.22 3acb s VAL 12 CO 0.53 0.38 0.26 -1.10 0.00 0.00 0.00 175.10 175.16 3acb s GLN 13 N 0.96 0.14 -0.14 2.72 -1.52 -1.26 -2.76 119.66 117.80 3acb s GLN 13 Ca 0.06 0.70 -0.01 0.00 -1.95 0.00 0.00 55.36 54.16 3acb s GLN 13 Cb -0.13 -0.13 0.04 0.00 -0.22 0.00 0.00 33.01 32.57 3acb s GLN 13 CO 0.03 -0.31 -0.02 0.42 -0.25 0.00 0.00 175.29 175.16 3acb s ILE 14 N 2.41 0.76 0.82 1.08 1.01 0.22 -5.01 121.20 122.49 3acb s ILE 14 Ca 0.02 -0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 3acb s ILE 14 Cb -0.12 -0.98 0.09 0.00 0.01 0.00 0.00 42.46 41.45 3acb s ILE 14 CO -0.09 0.13 1.11 -0.94 0.00 0.00 0.00 174.94 175.15 3acb s SER 15 N 1.79 3.97 0.43 3.58 1.04 -1.26 -1.03 113.70 122.22 3acb s SER 15 Ca 0.02 1.95 0.11 0.00 0.48 0.00 0.00 55.95 58.51 3acb s SER 15 Cb -0.14 -2.54 0.92 0.00 0.10 0.00 0.00 66.02 64.36 3acb s SER 15 CO -0.07 -2.40 2.01 0.00 0.98 0.00 0.00 173.24 173.76 3acb h ALA 16 N -1.37 1.68 -0.21 5.32 0.00 -1.95 -0.87 119.26 121.87 3acb h ALA 16 Ca -0.43 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 3acb h ALA 16 Cb 1.24 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3acb h ALA 16 CO 0.48 0.24 -0.33 0.93 0.00 0.00 0.00 179.25 180.57 3acb h GLU 17 N 0.25 0.60 -0.67 0.00 4.39 -1.91 -0.40 114.58 116.84 3acb h GLU 17 Ca 0.06 -0.36 -0.05 0.00 0.34 0.00 0.00 59.36 59.35 3acb h GLU 17 Cb 0.17 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 3acb h GLU 17 CO 0.00 0.97 0.22 0.00 -1.16 0.00 0.00 179.01 179.05 3acb h ALA 18 N 0.62 0.87 -0.23 3.43 0.00 -1.79 -1.47 119.26 120.69 3acb h ALA 18 Ca 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 3acb h ALA 18 Cb 0.92 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3acb h ALA 18 CO 0.08 0.54 0.05 0.82 0.00 0.00 0.00 179.25 180.73 3acb h ILE 19 N 0.97 1.21 -0.34 0.00 2.04 -1.13 -1.32 117.51 118.94 3acb h ILE 19 Ca 0.22 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 65.43 3acb h ILE 19 Cb 0.27 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 3acb h ILE 19 CO -0.01 0.22 0.05 0.50 0.00 0.00 0.00 178.15 178.91 3acb h LYS 20 N 0.20 0.15 -0.33 2.37 3.64 -0.83 0.21 116.57 121.98 3acb h LYS 20 Ca 0.07 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3acb h LYS 20 Cb 0.29 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3acb h LYS 20 CO 0.00 0.10 0.14 -0.22 -2.27 0.00 0.00 179.45 177.20 3acb h LYS 21 N 0.16 0.49 -0.69 1.90 3.64 -1.20 -1.90 116.57 118.97 3acb h LYS 21 Ca 0.16 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 3acb h LYS 21 Cb 0.19 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3acb h LYS 21 CO -0.23 0.48 0.23 -0.09 -2.27 0.00 0.00 179.45 177.58 3acb h ARG 22 N 0.40 1.07 -0.46 1.90 9.65 -0.78 -1.93 114.38 124.23 3acb h ARG 22 Ca 0.11 -0.22 -0.07 0.00 -1.10 0.00 0.00 59.98 58.70 3acb h ARG 22 Cb 0.17 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.57 3acb h ARG 22 CO -0.01 0.91 0.01 0.28 2.80 0.00 0.00 179.97 183.96 3acb h VAL 23 N 1.01 1.24 -0.13 0.20 2.07 -0.46 -1.21 116.25 118.96 3acb h VAL 23 Ca 0.23 -0.96 -0.12 0.00 0.82 0.00 0.00 66.70 66.67 3acb h VAL 23 Cb 0.28 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3acb h VAL 23 CO -0.01 0.34 -0.43 -0.33 0.02 0.00 0.00 177.57 177.15 3acb h GLU 24 N 0.71 0.30 -0.29 1.57 5.08 -1.07 0.15 114.58 121.03 3acb h GLU 24 Ca 0.14 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 3acb h GLU 24 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3acb h GLU 24 CO 0.02 0.68 -0.13 0.93 -1.00 0.00 0.00 179.01 179.50 3acb h GLU 25 N 0.25 0.59 -0.41 2.33 5.08 -0.86 -0.97 114.58 120.59 3acb h GLU 25 Ca 0.02 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3acb h GLU 25 Cb 0.87 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 3acb h GLU 25 CO 0.07 0.83 0.17 -0.07 -1.00 0.00 0.00 179.01 179.01 3acb h LEU 26 N 0.34 0.56 -0.98 1.33 3.38 -1.03 -1.00 115.31 117.92 3acb h LEU 26 Ca 0.06 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.93 3acb h LEU 26 Cb 0.65 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3acb h LEU 26 CO 0.04 0.57 0.63 1.23 0.09 0.00 0.00 178.44 181.00 3acb h GLY 27 N 0.52 1.47 0.97 0.83 0.00 -0.86 -0.89 103.07 105.11 3acb h GLY 27 Ca 0.14 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3acb h GLY 27 CO -0.01 0.35 0.22 -1.33 0.00 0.00 0.00 176.54 175.77 3acb h GLY 28 N 1.17 0.75 0.97 4.60 0.00 -0.62 -0.68 103.07 109.27 3acb h GLY 28 Ca 0.41 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3acb h GLY 28 CO -0.16 0.36 0.25 0.83 0.00 0.00 0.00 176.54 177.82 3acb h GLU 29 N 0.63 0.66 -0.12 4.80 5.08 -0.41 -1.04 114.58 124.19 3acb h GLU 29 Ca 0.16 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3acb h GLU 29 Cb 0.14 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3acb h GLU 29 CO -0.02 0.53 0.08 0.82 -1.00 0.00 0.00 179.01 179.42 3acb h ILE 30 N 0.62 1.06 -0.89 3.13 2.04 -1.01 0.14 117.51 122.61 3acb h ILE 30 Ca 0.16 -0.16 0.11 0.00 1.00 0.00 0.00 64.86 65.97 3acb h ILE 30 Cb 0.07 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 37.01 3acb h ILE 30 CO -0.03 0.06 0.53 0.00 0.00 0.00 0.00 178.15 178.71 3acb h ALA 31 N 1.01 1.30 0.37 1.87 0.00 -0.87 0.54 119.26 123.48 3acb h ALA 31 Ca 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3acb h ALA 31 Cb 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3acb h ALA 31 CO -0.01 0.13 -0.18 -0.09 0.00 0.00 0.00 179.25 179.11 3acb h ARG 32 N 0.86 -0.48 0.00 0.00 2.43 -0.66 -2.71 114.38 113.82 3acb h ARG 32 Ca 0.44 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.63 3acb h ARG 32 Cb 0.43 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3acb h ARG 32 CO -0.26 -0.17 -0.05 -0.44 -1.51 0.00 0.00 179.97 177.54 3acb h ASP 33 N -0.81 0.00 -0.37 -3.80 3.32 -0.35 -2.76 116.42 111.64 3acb h ASP 33 Ca -0.05 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.98 3acb h ASP 33 Cb 0.53 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 3acb h ASP 33 CO 0.08 0.05 0.01 -1.22 -1.72 0.00 0.00 179.24 176.44 3acb n TYR 34 N -3.93 1.31 -1.71 4.55 4.01 0.15 -5.00 117.16 116.54 3acb n TYR 34 Ca -0.03 -0.88 -0.43 0.00 -0.16 0.00 0.00 57.90 56.40 3acb n TYR 34 Cb 0.13 -0.39 -0.02 0.00 -0.31 0.00 0.00 39.34 38.76 3acb n TYR 34 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3acb n GLN 35 N -0.23 2.34 -0.63 -0.72 10.64 -1.03 -0.72 117.38 127.03 3acb n GLN 35 Ca 0.24 0.83 0.00 0.00 -1.83 0.00 0.00 57.00 56.24 3acb n GLN 35 Cb 1.00 -2.52 0.00 0.00 -0.86 0.00 0.00 30.24 27.86 3acb n GLN 35 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3acb n GLY 36 N 1.79 1.35 3.67 2.61 0.00 -1.26 -5.01 105.19 108.34 3acb n GLY 36 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3acb n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3acb s LYS 37 N -0.15 2.05 -0.44 1.61 1.02 0.10 -5.11 119.74 118.82 3acb s LYS 37 Ca 0.00 -2.23 0.02 0.00 0.02 0.00 0.00 55.97 53.78 3acb s LYS 37 Cb 0.00 -1.53 0.13 0.00 -0.52 0.00 0.00 37.83 35.91 3acb s LYS 37 CO 0.00 -0.20 0.24 0.99 -0.92 0.00 0.00 175.35 175.45 3acb s THR 38 N -2.82 1.47 0.83 2.17 2.01 -1.26 -4.66 115.64 113.37 3acb s THR 38 Ca 0.22 -2.58 -0.11 0.00 0.31 0.00 0.00 61.69 59.54 3acb s THR 38 Cb 0.06 -2.03 0.09 0.00 0.01 0.00 0.00 72.50 70.63 3acb s THR 38 CO 0.11 -0.88 1.10 -2.16 -0.69 0.00 0.00 174.62 172.10 3acb s PRO 39 N 0.34 1.79 -0.26 4.92 0.04 -1.26 -4.50 135.00 136.07 3acb s PRO 39 Ca 0.17 1.18 0.02 0.00 0.04 0.00 0.00 61.00 62.41 3acb s PRO 39 Cb -0.25 -1.84 0.07 0.00 0.04 0.00 0.00 34.50 32.52 3acb s PRO 39 CO 0.00 -1.97 -0.04 -1.58 0.04 0.00 0.00 177.00 173.45 3acb s HIS 40 N -2.85 2.82 -0.18 0.56 2.46 -0.10 -2.11 115.29 115.90 3acb s HIS 40 Ca 0.63 -2.13 -0.17 0.00 0.47 0.00 0.00 55.06 53.86 3acb s HIS 40 Cb -0.18 -1.91 -0.04 0.00 -0.13 0.00 0.00 32.58 30.32 3acb s HIS 40 CO 0.57 -0.84 0.45 -0.51 -2.47 0.00 0.00 174.74 171.94 3acb s LEU 41 N 1.24 4.19 -0.31 8.88 1.02 -0.38 -1.05 118.68 132.26 3acb s LEU 41 Ca -0.03 0.65 -0.05 0.00 0.02 0.00 0.00 54.13 54.72 3acb s LEU 41 Cb -0.19 -2.62 0.03 0.00 0.02 0.00 0.00 46.19 43.43 3acb s LEU 41 CO -0.07 -0.08 0.06 -0.63 0.02 0.00 0.00 176.35 175.65 3acb s ILE 42 N 1.20 3.58 -0.12 -0.59 1.01 -0.15 -1.15 121.20 124.97 3acb s ILE 42 Ca 0.22 -1.09 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 3acb s ILE 42 Cb -0.15 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 3acb s ILE 42 CO 0.09 -0.08 0.87 0.00 0.00 0.00 0.00 174.94 175.82 3acb s VAL 44 N 1.83 4.34 0.55 0.00 1.01 -0.64 -1.60 120.40 125.89 3acb s VAL 44 Ca 0.42 0.22 -0.17 0.00 0.00 0.00 0.00 61.98 62.45 3acb s VAL 44 Cb -0.18 -4.58 -0.06 0.00 0.00 0.00 0.00 36.38 31.57 3acb s VAL 44 CO 0.16 -1.19 1.03 -0.76 0.00 0.00 0.00 175.10 174.34 3acb s LEU 45 N 4.06 3.60 -0.10 3.92 1.43 0.54 -2.49 118.68 129.65 3acb s LEU 45 Ca 0.30 1.77 0.14 0.00 -1.03 0.00 0.00 54.13 55.31 3acb s LEU 45 Cb -0.13 -4.53 -0.24 0.00 0.03 0.00 0.00 46.19 41.32 3acb s LEU 45 CO 0.18 -0.93 0.45 0.59 0.23 0.00 0.00 176.35 176.87 3acb n ASN 46 N -1.69 0.58 -0.38 2.29 5.03 -1.26 -4.21 115.26 115.61 3acb n ASN 46 Ca 0.08 0.26 0.34 0.00 0.87 0.00 0.00 54.58 56.14 3acb n ASN 46 Cb 0.53 0.31 0.68 0.00 -1.02 0.00 0.00 39.78 40.28 3acb n ASN 46 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 3acb h GLY 47 N 3.66 0.50 -1.04 7.41 0.00 -1.73 -2.61 103.07 109.26 3acb h GLY 47 Ca -0.38 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3acb h GLY 47 CO 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 176.54 176.51 3acb n ALA 48 N -2.68 2.52 -0.07 3.60 0.00 -1.04 -3.96 120.51 118.89 3acb n ALA 48 Ca 0.29 -0.57 0.07 0.00 0.00 0.00 0.00 53.44 53.24 3acb n ALA 48 Cb 1.26 -1.04 0.44 0.00 0.00 0.00 0.00 19.45 20.11 3acb n ALA 48 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3acb h PHE 49 N 3.06 0.54 0.10 0.00 -5.15 -1.69 0.23 116.94 114.03 3acb h PHE 49 Ca 0.00 0.01 -0.25 0.00 -0.20 0.00 0.00 57.97 57.54 3acb h PHE 49 Cb 0.66 -0.18 0.02 0.00 0.22 0.00 0.00 35.95 36.67 3acb h PHE 49 CO 0.04 0.30 -1.02 0.82 -2.00 0.00 0.00 178.31 176.45 3acb h ILE 50 N 0.54 1.36 -0.66 0.88 2.04 -1.84 -1.85 117.51 117.98 3acb h ILE 50 Ca 0.23 -2.39 0.04 0.00 1.00 0.00 0.00 64.86 63.74 3acb h ILE 50 Cb 0.23 2.78 -0.05 0.00 -0.74 0.00 0.00 36.82 39.04 3acb h ILE 50 CO -0.06 0.71 0.40 0.15 0.00 0.00 0.00 178.15 179.34 3acb h PHE 51 N 0.06 0.74 -0.27 1.37 3.57 -1.69 -1.48 116.94 119.23 3acb h PHE 51 Ca -0.16 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.37 3acb h PHE 51 Cb 1.74 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 40.22 3acb h PHE 51 CO 0.14 0.40 0.17 1.98 -2.23 0.00 0.00 178.31 178.77 3acb h MET 52 N 0.76 0.34 -0.61 1.11 4.05 -0.54 0.49 114.93 120.54 3acb h MET 52 Ca 0.28 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.69 3acb h MET 52 Cb 0.07 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.76 3acb h MET 52 CO -0.13 0.23 0.40 0.00 0.23 0.00 0.00 176.91 177.63 3acb h ALA 53 N 1.11 0.79 -0.06 0.39 0.00 -0.74 -1.13 119.26 119.61 3acb h ALA 53 Ca 0.10 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.75 3acb h ALA 53 Cb -0.03 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.55 3acb h ALA 53 CO -0.03 0.17 -0.88 -0.44 0.00 0.00 0.00 179.25 178.07 3acb h ASP 54 N 0.80 0.75 -0.22 0.00 3.32 -1.13 -3.23 116.42 116.70 3acb h ASP 54 Ca 0.23 -0.55 -0.02 0.00 0.02 0.00 0.00 57.03 56.71 3acb h ASP 54 Cb -0.05 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.27 3acb h ASP 54 CO -0.07 1.34 0.04 0.25 -1.72 0.00 0.00 179.24 179.08 3acb h LEU 55 N 0.38 0.35 -1.35 1.55 5.85 -0.70 -3.07 115.31 118.31 3acb h LEU 55 Ca -0.08 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 3acb h LEU 55 Cb 1.51 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 3acb h LEU 55 CO 0.17 0.51 0.26 -0.37 -0.34 0.00 0.00 178.44 178.67 3acb h VAL 56 N 0.17 1.16 0.00 1.05 -1.51 -1.32 0.36 116.25 116.17 3acb h VAL 56 Ca 0.07 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 3acb h VAL 56 Cb 0.30 0.49 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 3acb h VAL 56 CO 0.00 0.18 0.00 0.54 -1.23 0.00 0.00 177.57 177.07 3acb n ARG 57 N -4.40 0.25 -0.26 5.19 1.74 -1.17 -1.96 116.66 116.06 3acb n ARG 57 Ca 0.04 0.12 0.07 0.00 -0.77 0.00 0.00 57.85 57.31 3acb n ARG 57 Cb 0.11 -1.50 0.20 0.00 -1.02 0.00 0.00 32.46 30.25 3acb n ARG 57 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3acb n ALA 58 N -1.28 2.35 -3.97 7.54 0.00 0.11 -4.83 120.51 120.43 3acb n ALA 58 Ca 0.08 -1.32 -0.30 0.00 0.00 0.00 0.00 53.44 51.90 3acb n ALA 58 Cb 0.14 -0.57 -0.14 0.00 0.00 0.00 0.00 19.45 18.88 3acb n ALA 58 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3acb s ILE 59 N -1.26 2.35 -0.90 0.00 1.01 -0.83 -3.62 121.20 117.95 3acb s ILE 59 Ca 0.30 -2.78 -0.06 0.00 0.00 0.00 0.00 60.65 58.12 3acb s ILE 59 Cb 0.18 -2.69 -0.06 0.00 0.01 0.00 0.00 42.46 39.89 3acb s ILE 59 CO 0.18 -0.70 2.21 -2.65 0.00 0.00 0.00 174.94 173.97 3acb n PRO 60 N 3.72 2.15 -4.06 2.79 -0.02 -1.26 -4.83 135.00 133.50 3acb n PRO 60 Ca 0.04 -1.45 -0.09 0.00 -2.02 0.00 0.00 63.50 59.99 3acb n PRO 60 Cb 0.37 -2.43 -0.11 0.00 -0.02 0.00 0.00 33.50 31.32 3acb n PRO 60 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3acb s LEU 61 N 0.09 2.37 0.06 2.45 1.43 -1.26 -5.06 118.68 118.77 3acb s LEU 61 Ca 0.42 -0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 52.45 3acb s LEU 61 Cb 0.12 0.09 -0.06 0.00 0.03 0.00 0.00 46.19 46.37 3acb s LEU 61 CO -0.03 -0.43 1.21 -2.16 0.23 0.00 0.00 176.35 175.17 3acb s PRO 62 N -2.74 4.42 0.15 1.29 0.04 -1.26 -4.98 135.00 131.92 3acb s PRO 62 Ca -0.03 1.79 -0.18 0.00 0.04 0.00 0.00 61.00 62.63 3acb s PRO 62 Cb -0.01 -3.34 0.04 0.00 0.04 0.00 0.00 34.50 31.23 3acb s PRO 62 CO -0.05 -0.27 0.47 -0.48 0.04 0.00 0.00 177.00 176.71 3acb s LEU 63 N 1.06 0.14 0.40 -3.56 0.05 -1.26 -4.04 118.68 111.48 3acb s LEU 63 Ca 0.59 -0.29 0.07 0.00 0.05 0.00 0.00 54.13 54.55 3acb s LEU 63 Cb -0.30 2.05 -0.07 0.00 -2.05 0.00 0.00 46.19 45.82 3acb s LEU 63 CO 0.29 -0.92 0.05 0.42 -0.55 0.00 0.00 176.35 175.64 3acb s THR 64 N -3.81 2.13 0.17 5.48 -4.23 -0.90 -5.03 115.64 109.46 3acb s THR 64 Ca 0.04 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.51 3acb s THR 64 Cb 0.01 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.88 3acb s THR 64 CO -0.10 -0.02 0.37 0.00 -0.54 0.00 0.00 174.62 174.32 3acb s MET 65 N -3.76 1.23 0.22 3.99 0.23 -1.26 -1.25 119.30 118.70 3acb s MET 65 Ca 0.37 -1.06 -0.14 0.00 -1.03 0.00 0.00 55.69 53.83 3acb s MET 65 Cb 0.07 0.43 0.00 0.00 -1.53 0.00 0.00 34.83 33.80 3acb s MET 65 CO 0.19 -0.48 0.47 0.34 -2.03 0.00 0.00 175.02 173.51 3acb s ASP 66 N -2.93 -0.12 -0.02 -1.18 -1.08 -0.30 -4.93 116.67 106.11 3acb s ASP 66 Ca 0.14 -0.79 0.04 0.00 -0.52 0.00 0.00 52.55 51.43 3acb s ASP 66 Cb 0.02 0.56 -0.01 0.00 -1.46 0.00 0.00 42.92 42.04 3acb s ASP 66 CO -0.01 -1.08 -0.15 -0.36 0.52 0.00 0.00 175.17 174.09 3acb s PHE 67 N -3.97 1.40 0.01 -5.34 0.08 -1.26 -1.14 117.98 107.76 3acb s PHE 67 Ca 0.17 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.92 3acb s PHE 67 Cb -0.00 -0.93 -0.01 0.00 -0.57 0.00 0.00 43.02 41.51 3acb s PHE 67 CO 0.04 -0.08 -0.05 -1.50 -0.10 0.00 0.00 175.22 173.53 3acb s ILE 68 N -0.16 0.37 -0.14 0.64 2.07 -0.63 -4.49 121.20 118.87 3acb s ILE 68 Ca 0.02 -0.53 0.02 0.00 -1.41 0.00 0.00 60.65 58.74 3acb s ILE 68 Cb -0.08 -0.38 0.01 0.00 0.13 0.00 0.00 42.46 42.14 3acb s ILE 68 CO 0.00 -0.12 -0.20 0.00 -1.91 0.00 0.00 174.94 172.72 3acb s ALA 69 N -0.63 2.12 0.03 1.50 0.00 -1.04 -0.34 121.76 123.41 3acb s ALA 69 Ca -0.04 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.92 3acb s ALA 69 Cb -0.05 -0.97 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 3acb s ALA 69 CO -0.00 -0.07 -0.06 0.96 0.00 0.00 0.00 175.76 176.59 3acb s ILE 70 N 0.91 0.39 0.00 0.00 -4.36 -1.26 0.35 121.20 117.23 3acb s ILE 70 Ca -0.06 -0.90 0.00 0.00 -0.26 0.00 0.00 60.65 59.44 3acb s ILE 70 Cb -0.15 -0.47 0.00 0.00 1.25 0.00 0.00 42.46 43.09 3acb s ILE 70 CO -0.03 -0.34 0.00 -0.24 0.24 0.00 0.00 174.94 174.57 3acb n SER 71 N 1.73 0.00 -1.63 4.36 2.88 -1.26 -4.90 113.62 114.81 3acb n SER 71 Ca -0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 3acb n SER 71 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 3acb n SER 71 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3acb n GLU 84 N 0.00 -2.66 -2.62 -1.46 2.13 -1.26 -4.99 120.64 109.77 3acb n GLU 84 Ca 0.00 2.17 -0.42 0.00 0.66 0.00 0.00 57.16 59.57 3acb n GLU 84 Cb 0.00 -2.57 -0.03 0.00 0.27 0.00 0.00 31.44 29.11 3acb n GLU 84 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3acb s LEU 85 N -0.30 3.55 -0.06 4.31 2.96 -1.26 -4.91 118.68 122.97 3acb s LEU 85 Ca 0.00 0.01 -0.26 0.00 -0.22 0.00 0.00 54.13 53.66 3acb s LEU 85 Cb 0.00 -3.09 -0.23 0.00 0.50 0.00 0.00 46.19 43.37 3acb s LEU 85 CO 0.00 -1.45 1.02 -0.07 -1.32 0.00 0.00 176.35 174.53 3acb h LEU 86 N 11.81 0.14 -8.24 -0.68 3.38 -0.46 -3.45 115.31 117.81 3acb h LEU 86 Ca -0.25 -0.77 -0.56 0.00 0.09 0.00 0.00 57.88 56.39 3acb h LEU 86 Cb 1.06 -0.04 -0.31 0.00 0.09 0.00 0.00 40.66 41.46 3acb h LEU 86 CO 1.17 0.89 -0.84 -0.75 0.09 0.00 0.00 178.44 179.01 3acb s LYS 87 N -3.15 1.70 0.33 1.13 2.20 0.10 -4.89 119.74 117.16 3acb s LYS 87 Ca -0.17 -0.60 0.04 0.00 -0.36 0.00 0.00 55.97 54.89 3acb s LYS 87 Cb 0.00 -1.50 -0.02 0.00 -1.51 0.00 0.00 37.83 34.81 3acb s LYS 87 CO 0.72 0.26 0.49 0.34 -0.36 0.00 0.00 175.35 176.80 3acb s ASP 88 N -0.03 6.08 0.76 1.43 2.15 -1.26 -2.48 116.67 123.32 3acb s ASP 88 Ca -0.02 0.04 -0.11 0.00 0.43 0.00 0.00 52.55 52.90 3acb s ASP 88 Cb -0.11 -1.55 0.05 0.00 -0.30 0.00 0.00 42.92 41.02 3acb s ASP 88 CO 0.02 -0.37 1.08 -0.76 -0.17 0.00 0.00 175.17 174.97 3acb s LEU 89 N -4.21 2.88 0.00 -1.34 1.43 -1.26 -4.79 118.68 111.38 3acb s LEU 89 Ca 0.42 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 3acb s LEU 89 Cb -0.09 -4.31 0.00 0.00 0.03 0.00 0.00 46.19 41.82 3acb s LEU 89 CO 0.32 -1.88 0.00 0.54 0.23 0.00 0.00 176.35 175.56 3acb n ARG 90 N -3.41 2.82 -3.79 1.70 1.74 -1.26 -5.05 116.66 109.41 3acb n ARG 90 Ca 0.08 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.82 3acb n ARG 90 Cb 0.54 -0.87 -0.05 0.00 -1.02 0.00 0.00 32.46 31.06 3acb n ARG 90 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3acb s LEU 91 N -3.12 4.35 0.54 0.55 1.02 -1.26 -5.08 118.68 115.69 3acb s LEU 91 Ca 0.00 0.49 -0.21 0.00 0.02 0.00 0.00 54.13 54.44 3acb s LEU 91 Cb 0.00 -2.80 -0.05 0.00 0.02 0.00 0.00 46.19 43.36 3acb s LEU 91 CO 0.00 0.21 1.23 -2.84 0.02 0.00 0.00 176.35 174.97 3acb s PRO 92 N -2.02 3.24 0.00 1.29 0.02 -1.26 -4.95 135.00 131.31 3acb s PRO 92 Ca 0.31 1.91 0.00 0.00 0.02 0.00 0.00 61.00 63.23 3acb s PRO 92 Cb -0.13 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.25 3acb s PRO 92 CO 0.19 -1.01 0.00 0.44 -0.33 0.00 0.00 177.00 176.29 3acb n ILE 93 N -1.14 0.00 -1.67 2.83 -5.35 -1.26 -4.90 119.36 107.86 3acb n ILE 93 Ca 0.11 -0.36 -0.47 0.00 -0.27 0.00 0.00 62.75 61.76 3acb n ILE 93 Cb 0.48 0.87 -0.04 0.00 -1.74 0.00 0.00 39.64 39.21 3acb n ILE 93 CO 0.00 0.00 0.00 1.57 -1.76 0.00 0.00 176.55 176.36 3acb n HIS 94 N -1.03 2.27 -0.93 4.28 -0.00 -1.25 -0.51 115.22 118.05 3acb n HIS 94 Ca 0.00 0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.36 3acb n HIS 94 Cb 0.00 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.29 3acb n HIS 94 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3acb n GLY 95 N 3.78 0.61 3.92 1.57 0.00 -0.69 -4.84 105.19 109.55 3acb n GLY 95 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 3acb n GLY 95 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3acb s ARG 96 N -0.34 3.52 -0.66 1.61 1.81 0.33 -4.12 118.95 121.11 3acb s ARG 96 Ca 0.00 -0.33 -0.21 0.00 -1.72 0.00 0.00 55.73 53.47 3acb s ARG 96 Cb 0.00 -2.86 0.09 0.00 -0.45 0.00 0.00 34.95 31.72 3acb s ARG 96 CO 0.00 0.43 0.89 -0.51 -0.68 0.00 0.00 175.30 175.43 3acb s ASP 97 N -3.02 6.22 0.11 0.23 1.01 -1.26 -0.46 116.67 119.50 3acb s ASP 97 Ca 0.38 -1.25 -0.18 0.00 0.71 0.00 0.00 52.55 52.21 3acb s ASP 97 Cb -0.11 -2.37 -0.07 0.00 1.01 0.00 0.00 42.92 41.37 3acb s ASP 97 CO 0.28 -1.29 0.59 -0.69 0.21 0.00 0.00 175.17 174.27 3acb s VAL 98 N 3.44 4.74 -0.19 -1.27 1.01 -0.06 -0.92 120.40 127.15 3acb s VAL 98 Ca 0.19 1.14 -0.01 0.00 0.00 0.00 0.00 61.98 63.31 3acb s VAL 98 Cb -0.18 -3.86 0.05 0.00 0.00 0.00 0.00 36.38 32.39 3acb s VAL 98 CO 0.07 0.43 -0.04 -0.63 0.00 0.00 0.00 175.10 174.93 3acb s ILE 99 N -1.26 1.14 0.09 2.22 1.01 -0.22 -1.46 121.20 122.72 3acb s ILE 99 Ca 0.33 -0.79 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 3acb s ILE 99 Cb -0.18 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 3acb s ILE 99 CO 0.20 0.01 0.98 -0.69 0.00 0.00 0.00 174.94 175.43 3acb s VAL 100 N 1.60 4.54 -0.33 2.92 1.01 -0.26 -0.98 120.40 128.89 3acb s VAL 100 Ca -0.01 2.04 -0.02 0.00 0.00 0.00 0.00 61.98 63.98 3acb s VAL 100 Cb -0.17 -4.30 0.07 0.00 0.00 0.00 0.00 36.38 31.98 3acb s VAL 100 CO -0.07 0.28 0.06 -0.69 0.00 0.00 0.00 175.10 174.68 3acb s VAL 101 N 0.21 3.06 0.10 2.92 1.01 0.52 0.09 120.40 128.31 3acb s VAL 101 Ca 0.48 -1.63 0.03 0.00 0.00 0.00 0.00 61.98 60.87 3acb s VAL 101 Cb -0.23 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 3acb s VAL 101 CO 0.30 -0.31 0.12 -1.61 0.00 0.00 0.00 175.10 173.60 3acb s GLU 102 N 1.20 2.99 -0.16 2.72 0.41 0.69 -1.63 118.70 124.93 3acb s GLU 102 Ca -0.00 -0.69 -0.24 0.00 -0.41 0.00 0.00 54.97 53.63 3acb s GLU 102 Cb -0.21 -2.76 -0.21 0.00 -1.78 0.00 0.00 34.13 29.17 3acb s GLU 102 CO -0.02 0.55 0.52 0.38 -0.49 0.00 0.00 175.26 176.20 3acb h ASP 103 N 2.99 0.00 -3.79 -0.19 2.03 -1.86 -2.24 116.42 113.37 3acb h ASP 103 Ca -0.47 -0.75 -0.13 0.00 -0.73 0.00 0.00 57.03 54.96 3acb h ASP 103 Cb 1.17 0.00 -0.25 0.00 -0.83 0.00 0.00 39.33 39.43 3acb h ASP 103 CO 0.67 1.09 -0.27 -0.51 -1.03 0.00 0.00 179.24 179.19 3acb s ILE 104 N -2.21 -0.00 -0.27 4.15 2.07 -1.26 -1.63 121.20 122.04 3acb s ILE 104 Ca -0.20 0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.05 3acb s ILE 104 Cb -0.00 -0.55 0.05 0.00 0.13 0.00 0.00 42.46 42.09 3acb s ILE 104 CO 0.59 0.01 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.88 3acb s VAL 105 N 0.37 2.65 0.00 4.00 1.01 -0.42 -4.99 120.40 123.02 3acb s VAL 105 Ca -0.01 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.56 3acb s VAL 105 Cb -0.04 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.85 3acb s VAL 105 CO -0.01 -0.01 0.00 -0.90 0.00 0.00 0.00 175.10 174.18 3acb n ASP 106 N 4.56 0.00 0.10 3.32 5.68 -1.26 -1.03 116.55 127.91 3acb n ASP 106 Ca -0.14 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.10 3acb n ASP 106 Cb 0.44 -0.07 0.10 0.00 -1.14 0.00 0.00 41.12 40.44 3acb n ASP 106 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3acb h THR 107 N 0.00 1.43 0.00 2.12 1.35 -1.84 -2.25 112.91 113.73 3acb h THR 107 Ca 0.00 -2.20 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 3acb h THR 107 Cb 0.00 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3acb h THR 107 CO 0.00 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 3acb n GLY 108 N 0.43 1.19 0.14 5.82 0.00 -1.26 -0.63 105.19 110.88 3acb n GLY 108 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3acb n GLY 108 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3acb h LEU 109 N 0.00 0.36 -0.33 0.99 3.38 -1.91 -0.87 115.31 116.93 3acb h LEU 109 Ca 0.00 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 3acb h LEU 109 Cb 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3acb h LEU 109 CO 0.00 0.43 0.03 0.74 0.09 0.00 0.00 178.44 179.73 3acb h THR 110 N 0.27 1.25 -0.60 0.22 2.02 -1.94 -2.37 112.91 111.76 3acb h THR 110 Ca 0.09 -0.88 -0.07 0.00 0.77 0.00 0.00 66.41 66.31 3acb h THR 110 Cb 0.18 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3acb h THR 110 CO -0.01 0.29 0.09 0.25 0.37 0.00 0.00 175.52 176.52 3acb h LEU 111 N 0.39 0.92 -0.66 2.58 5.85 -1.96 -1.74 115.31 120.70 3acb h LEU 111 Ca 0.10 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 3acb h LEU 111 Cb 0.39 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3acb h LEU 111 CO 0.01 0.93 0.38 -1.28 -0.34 0.00 0.00 178.44 178.13 3acb h SER 112 N 0.91 0.81 0.27 1.25 0.87 -1.04 0.10 113.55 116.73 3acb h SER 112 Ca 0.18 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3acb h SER 112 Cb 0.41 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3acb h SER 112 CO 0.01 0.65 -0.13 0.22 -0.53 0.00 0.00 176.83 177.05 3acb h TYR 113 N 0.90 -0.34 -0.74 2.24 5.03 -1.19 -2.10 116.97 120.77 3acb h TYR 113 Ca 0.23 -0.01 0.12 0.00 2.58 0.00 0.00 58.73 61.65 3acb h TYR 113 Cb 0.01 0.11 -0.08 0.00 1.55 0.00 0.00 36.73 38.32 3acb h TYR 113 CO -0.01 -0.14 0.35 1.25 -1.32 0.00 0.00 178.16 178.29 3acb h LEU 114 N -0.48 0.41 -0.65 2.82 5.85 -0.97 0.61 115.31 122.90 3acb h LEU 114 Ca -0.04 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3acb h LEU 114 Cb 0.36 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3acb h LEU 114 CO 0.06 0.21 0.29 -0.07 -0.34 0.00 0.00 178.44 178.58 3acb h LEU 115 N 0.55 0.87 -0.77 2.25 3.38 -0.68 0.03 115.31 120.95 3acb h LEU 115 Ca 0.38 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 3acb h LEU 115 Cb 0.49 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3acb h LEU 115 CO -0.32 0.78 0.13 0.44 0.09 0.00 0.00 178.44 179.55 3acb h ASP 116 N 0.90 1.01 -0.67 -0.43 3.32 -0.57 0.13 116.42 120.11 3acb h ASP 116 Ca 0.22 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3acb h ASP 116 Cb 0.16 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 3acb h ASP 116 CO -0.02 0.99 0.29 0.22 -1.72 0.00 0.00 179.24 179.00 3acb h TYR 117 N 1.00 1.00 -0.08 4.55 3.20 -0.41 -1.97 116.97 124.26 3acb h TYR 117 Ca 0.20 -0.06 -0.13 0.00 3.14 0.00 0.00 58.73 61.88 3acb h TYR 117 Cb 0.40 -0.30 0.01 0.00 1.54 0.00 0.00 36.73 38.37 3acb h TYR 117 CO 0.03 0.77 -0.46 -0.07 -1.64 0.00 0.00 178.16 176.78 3acb h LEU 118 N 0.94 0.54 -1.88 2.82 3.38 -0.72 -3.18 115.31 117.20 3acb h LEU 118 Ca 0.23 -0.66 0.06 0.00 0.09 0.00 0.00 57.88 57.59 3acb h LEU 118 Cb 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3acb h LEU 118 CO -0.02 1.12 0.21 -0.33 0.09 0.00 0.00 178.44 179.51 3acb h GLU 119 N -0.00 0.14 -0.19 1.13 4.39 -0.67 -0.23 114.58 119.15 3acb h GLU 119 Ca -0.04 -0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.71 3acb h GLU 119 Cb 1.12 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 3acb h GLU 119 CO 0.09 0.09 0.14 0.00 -1.16 0.00 0.00 179.01 178.18 3acb h ALA 120 N 1.84 2.15 -0.19 3.43 0.00 -1.33 -0.12 119.26 125.03 3acb h ALA 120 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3acb h ALA 120 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3acb h ALA 120 CO -0.02 -0.20 0.00 0.54 0.00 0.00 0.00 179.25 179.57 3acb n ARG 121 N -4.49 1.64 -3.36 0.00 1.74 -0.10 -4.97 116.66 107.13 3acb n ARG 121 Ca 0.02 -0.98 -0.15 0.00 -0.77 0.00 0.00 57.85 55.96 3acb n ARG 121 Cb 0.26 -1.33 0.03 0.00 -1.02 0.00 0.00 32.46 30.39 3acb n ARG 121 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3acb n LYS 122 N 0.23 -1.56 -1.65 5.56 5.02 -0.06 -3.86 118.16 121.84 3acb n LYS 122 Ca 0.14 0.98 -0.30 0.00 -2.02 0.00 0.00 58.31 57.11 3acb n LYS 122 Cb 0.28 -4.94 0.08 0.00 -0.02 0.00 0.00 35.03 30.43 3acb n LYS 122 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3acb s PRO 123 N -4.36 2.22 0.29 1.97 0.04 -1.26 -1.70 135.00 132.21 3acb s PRO 123 Ca 0.24 0.56 0.04 0.00 0.04 0.00 0.00 61.00 61.88 3acb s PRO 123 Cb -0.06 -1.94 0.45 0.00 0.04 0.00 0.00 34.50 32.99 3acb s PRO 123 CO 0.79 -1.51 1.73 0.00 0.04 0.00 0.00 177.00 178.05 3acb h ALA 124 N -1.00 1.13 -2.06 8.56 0.00 -0.92 -3.41 119.26 121.55 3acb h ALA 124 Ca -0.47 -0.36 0.18 0.00 0.00 0.00 0.00 54.91 54.27 3acb h ALA 124 Cb 1.27 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 3acb h ALA 124 CO 0.61 0.55 0.59 -1.54 0.00 0.00 0.00 179.25 179.46 3acb s SER 125 N -6.84 -0.23 -0.11 0.00 1.04 -1.12 -4.96 113.70 101.47 3acb s SER 125 Ca -0.06 -0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.16 3acb s SER 125 Cb 0.14 0.35 0.05 0.00 0.10 0.00 0.00 66.02 66.66 3acb s SER 125 CO 0.78 -0.61 0.26 -0.69 0.98 0.00 0.00 173.24 173.96 3acb s VAL 126 N -2.97 -0.09 0.18 5.02 1.01 -1.26 -0.88 120.40 121.42 3acb s VAL 126 Ca 0.09 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.29 3acb s VAL 126 Cb -0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.92 3acb s VAL 126 CO -0.04 0.07 -0.10 -0.13 0.00 0.00 0.00 175.10 174.90 3acb s ARG 127 N 1.42 1.20 -0.07 2.72 0.52 -0.54 -5.01 118.95 119.20 3acb s ARG 127 Ca -0.08 -1.54 0.05 0.00 -0.52 0.00 0.00 55.73 53.64 3acb s ARG 127 Cb -0.10 -0.79 -0.01 0.00 0.52 0.00 0.00 34.95 34.57 3acb s ARG 127 CO -0.09 0.08 -0.24 0.08 0.02 0.00 0.00 175.30 175.15 3acb s VAL 128 N -3.23 2.13 -0.14 3.52 1.01 -1.26 -1.11 120.40 121.32 3acb s VAL 128 Ca 0.21 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.17 3acb s VAL 128 Cb 0.02 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 3acb s VAL 128 CO 0.04 0.57 -0.17 0.00 0.00 0.00 0.00 175.10 175.54 3acb s ALA 129 N -0.04 2.45 -0.01 5.51 0.00 0.11 -1.06 121.76 128.72 3acb s ALA 129 Ca -0.07 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 50.88 3acb s ALA 129 Cb -0.15 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.82 3acb s ALA 129 CO 0.05 0.03 -0.05 0.00 0.00 0.00 0.00 175.76 175.80 3acb s ALA 130 N 0.71 0.46 0.00 0.00 0.00 0.33 -0.23 121.76 123.04 3acb s ALA 130 Ca -0.07 -0.15 -0.24 0.00 0.00 0.00 0.00 51.96 51.50 3acb s ALA 130 Cb -0.16 -0.19 -0.18 0.00 0.00 0.00 0.00 23.12 22.60 3acb s ALA 130 CO 0.01 0.07 1.30 1.25 0.00 0.00 0.00 175.76 178.39 3acb h LEU 131 N 6.35 0.15 -8.68 0.00 5.85 -1.39 0.13 115.31 117.72 3acb h LEU 131 Ca -0.32 -0.48 -0.49 0.00 0.84 0.00 0.00 57.88 57.43 3acb h LEU 131 Cb 1.18 -0.04 -0.19 0.00 0.37 0.00 0.00 40.66 41.97 3acb h LEU 131 CO 0.49 0.60 -0.78 -0.76 -0.34 0.00 0.00 178.44 177.65 3acb s LEU 132 N -9.18 2.38 -0.05 2.25 1.43 -0.65 -0.10 118.68 114.77 3acb s LEU 132 Ca -0.15 -0.78 -0.02 0.00 -1.03 0.00 0.00 54.13 52.15 3acb s LEU 132 Cb 0.03 -0.72 0.04 0.00 0.03 0.00 0.00 46.19 45.56 3acb s LEU 132 CO 0.71 -0.05 0.10 -0.55 0.23 0.00 0.00 176.35 176.78 3acb s SER 133 N -2.34 0.00 -0.80 2.29 0.15 -0.61 -1.30 113.70 111.09 3acb s SER 133 Ca 0.10 0.19 0.02 0.00 0.70 0.00 0.00 55.95 56.96 3acb s SER 133 Cb -0.07 0.08 0.20 0.00 -1.71 0.00 0.00 66.02 64.52 3acb s SER 133 CO 0.04 -0.15 0.67 0.29 1.20 0.00 0.00 173.24 175.30 3acb n LYS 134 N 4.25 2.31 0.14 5.44 5.02 -0.20 -0.76 118.16 134.36 3acb n LYS 134 Ca -0.26 -4.50 0.18 0.00 -2.02 0.00 0.00 58.31 51.71 3acb n LYS 134 Cb 0.51 -2.35 0.77 0.00 -0.02 0.00 0.00 35.03 33.94 3acb n LYS 134 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3acb h PRO 135 N 5.59 0.00 0.00 1.97 0.13 -1.80 -1.51 132.00 136.38 3acb h PRO 135 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3acb h PRO 135 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 3acb h PRO 135 CO 0.80 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.44 3acb n SER 136 N -3.90 0.39 -0.52 1.44 3.41 -1.26 -2.32 113.62 110.86 3acb n SER 136 Ca 0.04 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3acb n SER 136 Cb 0.45 -0.68 0.10 0.00 -0.26 0.00 0.00 64.21 63.82 3acb n SER 136 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3acb n ARG 137 N -1.93 1.33 -1.65 4.33 5.12 -0.57 -4.99 116.66 118.30 3acb n ARG 137 Ca 0.03 -1.05 -0.49 0.00 -1.93 0.00 0.00 57.85 54.41 3acb n ARG 137 Cb 0.20 -1.48 -0.05 0.00 -1.16 0.00 0.00 32.46 29.97 3acb n ARG 137 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3acb n ARG 138 N 0.08 1.83 -0.00 5.56 5.12 -0.84 -3.69 116.66 124.70 3acb n ARG 138 Ca 0.11 0.66 0.02 0.00 -1.93 0.00 0.00 57.85 56.71 3acb n ARG 138 Cb 0.46 -2.40 -0.03 0.00 -1.16 0.00 0.00 32.46 29.33 3acb n ARG 138 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3acb n GLN 139 N 3.78 2.89 -3.76 5.56 6.02 0.19 -4.98 117.38 127.09 3acb n GLN 139 Ca 0.19 -0.02 -0.13 0.00 -0.01 0.00 0.00 57.00 57.02 3acb n GLN 139 Cb 0.25 -0.91 -0.09 0.00 1.02 0.00 0.00 30.24 30.51 3acb n GLN 139 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3acb s VAL 140 N -1.88 0.05 -0.16 5.09 -7.23 -1.14 -5.04 120.40 110.09 3acb s VAL 140 Ca 0.00 -0.43 -0.29 0.00 -1.81 0.00 0.00 61.98 59.45 3acb s VAL 140 Cb 0.03 -0.59 -0.00 0.00 0.56 0.00 0.00 36.38 36.37 3acb s VAL 140 CO 0.20 -0.23 1.07 -1.61 -0.31 0.00 0.00 175.10 174.22 3acb s GLU 141 N -1.16 4.32 0.03 4.82 2.02 -1.26 -4.69 118.70 122.77 3acb s GLU 141 Ca -0.12 1.44 0.02 0.00 0.02 0.00 0.00 54.97 56.33 3acb s GLU 141 Cb -0.05 -3.61 -0.02 0.00 0.10 0.00 0.00 34.13 30.55 3acb s GLU 141 CO 0.04 -0.51 -0.07 0.14 0.02 0.00 0.00 175.26 174.88 3acb s VAL 142 N 2.72 0.50 0.24 2.63 -7.23 -1.26 -5.01 120.40 112.99 3acb s VAL 142 Ca 0.48 -0.83 -0.10 0.00 -1.81 0.00 0.00 61.98 59.72 3acb s VAL 142 Cb -0.18 -0.53 -0.07 0.00 0.56 0.00 0.00 36.38 36.15 3acb s VAL 142 CO 0.13 -0.24 0.56 -2.16 -0.31 0.00 0.00 175.10 173.09 3acb s PRO 143 N -1.16 3.82 -0.24 4.82 0.04 -1.26 -5.06 135.00 135.96 3acb s PRO 143 Ca -0.06 0.31 -0.03 0.00 0.04 0.00 0.00 61.00 61.25 3acb s PRO 143 Cb -0.08 -2.63 0.08 0.00 0.04 0.00 0.00 34.50 31.92 3acb s PRO 143 CO 0.00 0.30 0.09 0.42 0.04 0.00 0.00 177.00 177.85 3acb s ILE 144 N -1.83 0.34 0.06 0.56 1.01 -1.26 -4.62 121.20 115.45 3acb s ILE 144 Ca 0.48 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 60.47 3acb s ILE 144 Cb -0.11 -1.09 -0.20 0.00 0.01 0.00 0.00 42.46 41.07 3acb s ILE 144 CO 0.21 -0.48 1.13 0.45 0.00 0.00 0.00 174.94 176.25 3acb h HIS 145 N 8.28 0.00 -3.19 3.97 3.86 -1.48 -3.42 115.15 123.17 3acb h HIS 145 Ca -0.16 0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.46 3acb h HIS 145 Cb 1.07 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 29.14 3acb h HIS 145 CO 0.28 0.96 -0.75 0.71 0.86 0.00 0.00 177.93 179.98 3acb s TYR 146 N -2.70 1.80 -0.14 2.45 2.02 -0.51 -5.02 117.35 115.25 3acb s TYR 146 Ca -0.00 -1.77 -0.03 0.00 -0.37 0.00 0.00 57.07 54.89 3acb s TYR 146 Cb 0.09 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.87 3acb s TYR 146 CO 0.82 -0.87 -0.03 -1.17 -1.57 0.00 0.00 175.55 172.72 3acb s LEU 147 N 1.59 3.30 -0.01 -1.29 2.96 -1.26 -0.51 118.68 123.45 3acb s LEU 147 Ca 0.09 -0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 3acb s LEU 147 Cb -0.17 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.72 3acb s LEU 147 CO -0.24 0.22 0.44 1.23 -1.32 0.00 0.00 176.35 176.67 3acb h GLY 148 N 6.35 -0.13 -5.10 7.98 0.00 -0.54 -3.48 103.07 108.15 3acb h GLY 148 Ca -0.36 0.05 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 3acb h GLY 148 CO 0.61 -0.05 -0.53 -1.36 0.00 0.00 0.00 176.54 175.21 3acb s PHE 149 N -2.11 -0.04 -0.19 5.60 0.08 0.85 -5.01 117.98 117.16 3acb s PHE 149 Ca -0.02 0.10 -0.09 0.00 0.12 0.00 0.00 56.93 57.04 3acb s PHE 149 Cb 0.00 -0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.40 3acb s PHE 149 CO 0.05 -0.18 0.11 -2.00 -0.10 0.00 0.00 175.22 173.10 3acb s GLU 150 N -0.68 4.06 0.22 0.44 2.12 -1.26 -1.58 118.70 122.02 3acb s GLU 150 Ca -0.08 -0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.02 3acb s GLU 150 Cb -0.05 -3.33 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 3acb s GLU 150 CO 0.01 0.33 0.05 0.96 -0.54 0.00 0.00 175.26 176.07 3acb s ILE 151 N 0.24 0.61 0.85 -3.70 -4.36 0.07 -4.93 121.20 109.98 3acb s ILE 151 Ca 0.07 -1.99 -0.12 0.00 -0.26 0.00 0.00 60.65 58.35 3acb s ILE 151 Cb -0.11 -2.39 0.10 0.00 1.25 0.00 0.00 42.46 41.30 3acb s ILE 151 CO -0.01 -0.22 1.14 -1.83 0.24 0.00 0.00 174.94 174.25 3acb s GLU 152 N -3.98 1.65 -1.37 0.37 -1.05 -1.26 -4.32 118.70 108.74 3acb s GLU 152 Ca 0.31 0.33 -0.15 0.00 -0.15 0.00 0.00 54.97 55.31 3acb s GLU 152 Cb 0.07 -1.90 0.00 0.00 -0.44 0.00 0.00 34.13 31.86 3acb s GLU 152 CO 0.09 -1.85 2.25 -3.47 0.95 0.00 0.00 175.26 173.23 3acb n ASP 153 N -3.54 4.15 -4.75 0.83 2.03 -1.26 -4.91 116.55 109.09 3acb n ASP 153 Ca 0.07 -2.79 -0.25 0.00 0.52 0.00 0.00 54.79 52.35 3acb n ASP 153 Cb 0.59 -1.57 -0.06 0.00 -0.72 0.00 0.00 41.12 39.36 3acb n ASP 153 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3acb s ALA 154 N 3.35 3.44 -0.61 -1.67 0.00 -1.26 -5.04 121.76 119.97 3acb s ALA 154 Ca 0.50 -1.35 -0.27 0.00 0.00 0.00 0.00 51.96 50.84 3acb s ALA 154 Cb 0.14 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 22.07 3acb s ALA 154 CO -0.06 0.41 1.59 -0.47 0.00 0.00 0.00 175.76 177.24 3acb s TYR 155 N -1.90 1.99 0.20 0.00 5.04 -1.26 -4.98 117.35 116.45 3acb s TYR 155 Ca 0.31 0.50 0.06 0.00 -2.44 0.00 0.00 57.07 55.49 3acb s TYR 155 Cb -0.09 -4.30 -0.04 0.00 0.35 0.00 0.00 41.96 37.88 3acb s TYR 155 CO 0.22 -2.20 0.16 0.14 -1.34 0.00 0.00 175.55 172.53 3acb s VAL 156 N 7.30 4.44 0.25 3.14 -7.23 -1.26 -2.30 120.40 124.74 3acb s VAL 156 Ca 0.56 -1.23 -0.22 0.00 -1.81 0.00 0.00 61.98 59.29 3acb s VAL 156 Cb -0.12 -3.32 0.04 0.00 0.56 0.00 0.00 36.38 33.54 3acb s VAL 156 CO 0.21 -0.21 0.81 -0.72 -0.31 0.00 0.00 175.10 174.89 3acb s TYR 157 N -1.91 -0.13 0.00 2.82 -0.85 -0.53 -4.81 117.35 111.95 3acb s TYR 157 Ca 0.32 -0.31 0.00 0.00 -0.52 0.00 0.00 57.07 56.55 3acb s TYR 157 Cb -0.09 0.70 0.00 0.00 0.38 0.00 0.00 41.96 42.95 3acb s TYR 157 CO 0.24 -1.15 0.00 0.41 -1.52 0.00 0.00 175.55 173.53 3acb n GLY 158 N -0.48 1.57 3.95 5.49 0.00 0.66 -1.13 105.19 115.26 3acb n GLY 158 Ca -0.05 -2.00 -0.27 0.00 0.00 0.00 0.00 46.02 43.70 3acb n GLY 158 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3acb n TYR 159 N 1.67 -1.75 0.00 1.61 9.36 0.95 -1.33 117.16 127.67 3acb n TYR 159 Ca 0.00 0.78 0.00 0.00 3.32 0.00 0.00 57.90 62.00 3acb n TYR 159 Cb 0.00 -3.74 0.00 0.00 -0.63 0.00 0.00 39.34 34.97 3acb n TYR 159 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3acb n GLY 160 N -1.82 2.89 3.75 2.98 0.00 0.15 -4.57 105.19 108.57 3acb n GLY 160 Ca -0.22 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 3acb n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3acb s LEU 161 N 0.00 4.58 0.34 0.99 1.02 -0.44 -4.21 118.68 120.96 3acb s LEU 161 Ca 0.00 1.76 0.07 0.00 0.02 0.00 0.00 54.13 55.97 3acb s LEU 161 Cb 0.00 -3.45 -0.01 0.00 0.02 0.00 0.00 46.19 42.75 3acb s LEU 161 CO 0.00 0.12 0.45 1.51 0.02 0.00 0.00 176.35 178.45 3acb s ASP 162 N -0.81 5.82 -0.41 2.29 -4.77 -1.26 -0.24 116.67 117.29 3acb s ASP 162 Ca 0.40 -0.27 0.02 0.00 -3.30 0.00 0.00 52.55 49.40 3acb s ASP 162 Cb -0.24 -1.12 0.13 0.00 -1.09 0.00 0.00 42.92 40.60 3acb s ASP 162 CO 0.29 -0.46 0.21 -0.60 0.70 0.00 0.00 175.17 175.31 3acb s ARG 163 N -4.16 1.18 -1.31 2.11 3.52 0.43 -4.75 118.95 115.96 3acb s ARG 163 Ca 0.45 -1.84 -0.06 0.00 -0.13 0.00 0.00 55.73 54.16 3acb s ARG 163 Cb -0.09 -2.27 0.01 0.00 -1.56 0.00 0.00 34.95 31.04 3acb s ARG 163 CO 0.31 -1.13 1.08 0.00 -0.81 0.00 0.00 175.30 174.74 3acb n ALA 164 N 3.78 -1.60 0.00 6.12 0.00 -1.26 -1.80 120.51 125.75 3acb n ALA 164 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3acb n ALA 164 Cb 0.36 -4.16 0.00 0.00 0.00 0.00 0.00 19.45 15.65 3acb n ALA 164 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3acb n GLN 165 N -4.64 0.00 -2.79 0.00 1.13 -1.26 -5.00 117.38 104.82 3acb n GLN 165 Ca -0.11 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.74 3acb n GLN 165 Cb 0.60 -1.35 0.03 0.00 0.11 0.00 0.00 30.24 29.63 3acb n GLN 165 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 3acb s PHE 166 N -1.92 2.93 -0.34 1.08 0.08 -0.75 -4.60 117.98 114.47 3acb s PHE 166 Ca 0.00 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.02 3acb s PHE 166 Cb 0.00 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.86 3acb s PHE 166 CO 0.00 -0.68 0.00 -0.25 -0.10 0.00 0.00 175.22 174.19 3acb n ASP 167 N -2.19 -5.00 0.29 1.36 8.00 -1.26 -0.43 116.55 117.31 3acb n ASP 167 Ca 0.06 0.08 0.18 0.00 0.71 0.00 0.00 54.79 55.83 3acb n ASP 167 Cb 0.59 -2.78 0.81 0.00 -0.02 0.00 0.00 41.12 39.72 3acb n ASP 167 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3acb h ARG 168 N 0.24 0.00 -0.00 -1.24 3.08 -1.81 -2.77 114.38 111.88 3acb h ARG 168 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3acb h ARG 168 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3acb h ARG 168 CO 0.10 0.02 -0.03 0.27 -1.07 0.00 0.00 179.97 179.25 3acb n ASN 169 N -3.13 0.21 -4.73 7.04 6.94 -1.26 -0.67 115.26 119.66 3acb n ASN 169 Ca -0.00 -0.61 -0.42 0.00 -0.02 0.00 0.00 54.58 53.52 3acb n ASN 169 Cb 0.25 -0.12 -0.03 0.00 -2.36 0.00 0.00 39.78 37.52 3acb n ASN 169 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3acb s LEU 170 N -2.33 4.37 0.00 -4.53 1.02 -1.05 -4.83 118.68 111.34 3acb s LEU 170 Ca 0.36 2.71 0.24 0.00 0.02 0.00 0.00 54.13 57.46 3acb s LEU 170 Cb 0.21 -3.61 1.30 0.00 0.02 0.00 0.00 46.19 44.11 3acb s LEU 170 CO 0.43 -0.84 1.82 -0.81 0.02 0.00 0.00 176.35 176.97 3acb n PRO 171 N 3.44 0.47 -4.44 1.29 -0.04 -1.26 -0.04 135.00 134.42 3acb n PRO 171 Ca 0.12 0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.41 3acb n PRO 171 Cb 0.38 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 3acb n PRO 171 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3acb s PHE 172 N -2.41 1.93 -0.19 0.54 -0.12 -1.26 -4.05 117.98 112.42 3acb s PHE 172 Ca 0.27 -0.93 -0.10 0.00 -0.05 0.00 0.00 56.93 56.12 3acb s PHE 172 Cb 0.16 -1.24 -0.05 0.00 -0.63 0.00 0.00 43.02 41.27 3acb s PHE 172 CO 0.35 0.03 0.13 0.42 -0.05 0.00 0.00 175.22 176.09 3acb s ILE 173 N -3.29 5.42 0.10 -4.49 -1.09 -0.19 -3.06 121.20 114.59 3acb s ILE 173 Ca 0.35 0.19 0.02 0.00 -2.23 0.00 0.00 60.65 58.99 3acb s ILE 173 Cb 0.08 -3.47 -0.01 0.00 -1.58 0.00 0.00 42.46 37.49 3acb s ILE 173 CO 0.15 0.45 0.07 1.07 -1.23 0.00 0.00 174.94 175.45 3acb n THR 174 N 3.41 0.00 -3.85 2.92 5.66 -0.28 -0.61 114.28 121.53 3acb n THR 174 Ca -0.16 -0.68 -0.07 0.00 -3.05 0.00 0.00 64.05 60.08 3acb n THR 174 Cb 0.52 0.32 -0.01 0.00 -1.55 0.00 0.00 70.33 69.61 3acb n THR 174 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3acb s SER 175 N -1.67 -0.20 0.35 1.09 1.04 -1.11 -1.45 113.70 111.76 3acb s SER 175 Ca 0.10 -0.73 0.08 0.00 0.48 0.00 0.00 55.95 55.87 3acb s SER 175 Cb 0.00 0.75 -0.07 0.00 0.10 0.00 0.00 66.02 66.81 3acb s SER 175 CO 0.07 -1.42 -0.05 0.27 0.98 0.00 0.00 173.24 173.09 3acb s ILE 176 N -3.57 1.99 0.39 -1.02 -4.36 -0.97 -0.29 121.20 113.36 3acb s ILE 176 Ca 0.12 -2.12 -0.17 0.00 -0.26 0.00 0.00 60.65 58.22 3acb s ILE 176 Cb -0.06 -2.71 -0.09 0.00 1.25 0.00 0.00 42.46 40.85 3acb s ILE 176 CO 0.08 -0.15 0.84 -0.13 0.24 0.00 0.00 174.94 175.82 3acb s ARG 177 N -3.68 4.05 0.27 0.37 0.52 -1.26 -4.24 118.95 114.98 3acb s ARG 177 Ca 0.33 0.84 -0.00 0.00 -0.52 0.00 0.00 55.73 56.38 3acb s ARG 177 Cb 0.05 -2.30 0.57 0.00 0.52 0.00 0.00 34.95 33.79 3acb s ARG 177 CO 0.16 0.02 1.74 -1.35 0.02 0.00 0.00 175.30 175.89 3acb h PRO 178 N 1.87 0.52 -0.57 3.54 0.11 -1.98 -1.86 132.00 133.62 3acb h PRO 178 Ca -0.48 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.68 3acb h PRO 178 Cb 1.18 -0.12 -0.07 0.00 0.11 0.00 0.00 31.00 32.11 3acb h PRO 178 CO 0.63 0.34 0.21 0.93 -0.21 0.00 0.00 178.00 179.91 3acb h GLU 179 N 0.54 0.38 -0.01 1.05 3.07 -2.05 -3.53 114.58 114.03 3acb h GLU 179 Ca 0.48 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 3acb h GLU 179 Cb 0.76 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.58 3acb h GLU 179 CO -0.41 0.25 0.00 -0.85 -1.40 0.00 0.00 179.01 176.60