#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nso s VAL 2 N 0.00 4.82 -0.41 5.87 1.01 -1.26 -4.91 120.40 125.52 1nso s VAL 2 Ca 0.00 -2.74 0.04 0.00 0.00 0.00 0.00 61.98 59.28 1nso s VAL 2 Cb 0.00 -4.03 0.17 0.00 0.00 0.00 0.00 36.38 32.52 1nso s VAL 2 CO 0.00 -0.97 0.34 0.00 0.00 0.00 0.00 175.10 174.46 1nso s GLN 3 N -0.01 0.88 -0.86 2.72 0.00 -1.03 -4.17 119.66 117.18 1nso s GLN 3 Ca 0.18 -2.04 -0.20 0.00 -0.00 0.00 0.00 55.36 53.30 1nso s GLN 3 Cb -0.14 -1.38 -0.21 0.00 0.00 0.00 0.00 33.01 31.28 1nso s GLN 3 CO -0.07 -1.38 2.33 -2.30 0.00 0.00 0.00 175.29 173.87 1nso n PRO 4 N 2.93 0.37 -4.01 9.60 -0.02 -1.26 -3.98 135.00 138.62 1nso n PRO 4 Ca 0.29 -0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 60.89 1nso n PRO 4 Cb 0.47 -2.75 -0.15 0.00 -0.02 0.00 0.00 33.50 31.06 1nso n PRO 4 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1nso s ILE 5 N 9.67 2.43 -0.44 4.25 2.07 -1.26 -4.61 121.20 133.30 1nso s ILE 5 Ca 1.07 -1.74 -0.28 0.00 -1.41 0.00 0.00 60.65 58.29 1nso s ILE 5 Cb -0.39 -2.51 -0.00 0.00 0.13 0.00 0.00 42.46 39.69 1nso s ILE 5 CO 0.25 -0.19 1.62 0.42 -1.91 0.00 0.00 174.94 175.13 1nso s THR 6 N 1.10 3.65 0.48 4.00 -4.23 -1.26 -4.77 115.64 114.60 1nso s THR 6 Ca -0.03 0.61 0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1nso s THR 6 Cb -0.20 -4.01 0.00 0.00 1.34 0.00 0.00 72.50 69.63 1nso s THR 6 CO -0.05 -0.73 0.00 0.00 -0.54 0.00 0.00 174.62 173.30 1nso n ALA 7 N 10.07 -3.62 -1.62 3.99 0.00 -1.26 -4.30 120.51 123.77 1nso n ALA 7 Ca 0.19 0.69 -0.15 0.00 0.00 0.00 0.00 53.44 54.17 1nso n ALA 7 Cb 0.48 -1.40 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 1nso n ALA 7 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1nso s GLN 8 N -3.30 1.70 0.27 0.00 1.11 -1.26 -4.87 119.66 113.31 1nso s GLN 8 Ca 0.00 0.43 0.03 0.00 0.01 0.00 0.00 55.36 55.84 1nso s GLN 8 Cb 0.00 -4.81 -0.06 0.00 -1.01 0.00 0.00 33.01 27.14 1nso s GLN 8 CO 0.00 -4.33 0.04 0.15 0.01 0.00 0.00 175.29 171.16 1nso s LYS 9 N 8.70 1.45 -0.19 2.91 -0.14 -1.26 -5.05 119.74 126.16 1nso s LYS 9 Ca 0.90 -1.77 -0.04 0.00 -1.36 0.00 0.00 55.97 53.70 1nso s LYS 9 Cb -0.12 -0.62 -0.09 0.00 -1.68 0.00 0.00 37.83 35.31 1nso s LYS 9 CO 0.08 -0.16 3.06 -0.35 -0.76 0.00 0.00 175.35 177.21 1nso n PRO 10 N -0.51 2.06 -3.33 -1.68 -0.05 -1.26 -4.53 135.00 125.69 1nso n PRO 10 Ca -0.03 -1.47 -0.05 0.00 -0.05 0.00 0.00 63.50 61.90 1nso n PRO 10 Cb 0.65 -1.94 -0.06 0.00 -0.05 0.00 0.00 33.50 32.10 1nso n PRO 10 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 175.50 173.91 1nso s SER 11 N 1.24 -0.28 -0.05 3.54 1.04 -1.24 -3.89 113.70 114.07 1nso s SER 11 Ca 0.56 0.50 -0.04 0.00 0.48 0.00 0.00 55.95 57.45 1nso s SER 11 Cb 0.31 1.45 0.02 0.00 0.10 0.00 0.00 66.02 67.90 1nso s SER 11 CO -0.08 -0.28 0.12 -1.48 0.98 0.00 0.00 173.24 172.50 1nso s LEU 12 N 2.65 1.40 -0.38 2.42 2.34 -0.98 -4.13 118.68 122.00 1nso s LEU 12 Ca 0.13 0.25 -0.26 0.00 0.06 0.00 0.00 54.13 54.31 1nso s LEU 12 Cb -0.15 0.40 0.02 0.00 -0.56 0.00 0.00 46.19 45.90 1nso s LEU 12 CO -0.17 -0.06 0.94 -0.89 -1.06 0.00 0.00 176.35 175.11 1nso s THR 13 N 0.25 4.56 0.11 5.48 2.01 -1.26 -2.38 115.64 124.42 1nso s THR 13 Ca -0.02 1.19 -0.05 0.00 0.31 0.00 0.00 61.69 63.13 1nso s THR 13 Cb -0.03 -4.35 -0.02 0.00 0.01 0.00 0.00 72.50 68.11 1nso s THR 13 CO -0.01 -0.57 0.12 -0.76 -0.69 0.00 0.00 174.62 172.72 1nso s LEU 14 N 3.53 1.64 -0.00 4.42 1.43 0.50 -2.47 118.68 127.74 1nso s LEU 14 Ca 0.39 -0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1nso s LEU 14 Cb -0.12 0.66 -0.04 0.00 0.03 0.00 0.00 46.19 46.72 1nso s LEU 14 CO 0.19 -0.74 0.17 -1.66 0.23 0.00 0.00 176.35 174.54 1nso s TRP 15 N -3.96 3.52 0.03 0.29 1.48 0.12 -0.30 118.94 120.11 1nso s TRP 15 Ca 0.15 0.33 0.04 0.00 -1.06 0.00 0.00 56.10 55.56 1nso s TRP 15 Cb 0.06 -1.81 -0.02 0.00 -1.16 0.00 0.00 33.47 30.54 1nso s TRP 15 CO -0.04 0.63 -0.12 -0.48 -4.06 0.00 0.00 176.95 172.89 1nso s LEU 16 N -1.98 2.17 0.00 -4.66 0.05 0.45 -0.32 118.68 114.39 1nso s LEU 16 Ca 0.28 -0.43 0.00 0.00 0.05 0.00 0.00 54.13 54.02 1nso s LEU 16 Cb -0.13 -0.47 0.00 0.00 -2.05 0.00 0.00 46.19 43.54 1nso s LEU 16 CO 0.19 -0.01 0.00 0.47 -0.55 0.00 0.00 176.35 176.45 1nso n ASP 17 N 1.94 0.00 -1.91 1.48 8.00 -0.80 -1.68 116.55 123.58 1nso n ASP 17 Ca -0.18 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.30 1nso n ASP 17 Cb 0.55 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.70 1nso n ASP 17 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1nso n ASP 18 N 1.24 -0.82 -3.60 -2.24 5.75 -1.26 -5.07 116.55 110.54 1nso n ASP 18 Ca 0.00 -1.62 -0.11 0.00 -0.01 0.00 0.00 54.79 53.06 1nso n ASP 18 Cb 0.00 0.36 -0.06 0.00 -1.03 0.00 0.00 41.12 40.39 1nso n ASP 18 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1nso s LYS 19 N 0.06 0.60 0.51 0.11 0.00 -0.67 -5.16 119.74 115.18 1nso s LYS 19 Ca 0.04 0.40 -0.20 0.00 0.00 0.00 0.00 55.97 56.21 1nso s LYS 19 Cb 0.21 0.29 -0.07 0.00 0.00 0.00 0.00 37.83 38.26 1nso s LYS 19 CO -0.06 -0.13 1.08 1.41 0.00 0.00 0.00 175.35 177.64 1nso s MET 20 N -0.43 3.60 0.13 1.78 1.75 -1.26 -0.41 119.30 124.46 1nso s MET 20 Ca -0.00 1.47 -0.18 0.00 -1.25 0.00 0.00 55.69 55.72 1nso s MET 20 Cb -0.03 -2.06 0.06 0.00 2.84 0.00 0.00 34.83 35.65 1nso s MET 20 CO -0.01 -0.62 0.87 1.19 -0.65 0.00 0.00 175.02 175.80 1nso n PHE 21 N -1.12 -1.10 -5.09 4.11 3.72 0.59 -4.85 117.46 113.72 1nso n PHE 21 Ca 0.10 -0.98 -0.32 0.00 -0.05 0.00 0.00 57.45 56.21 1nso n PHE 21 Cb 0.52 0.47 -0.16 0.00 -0.94 0.00 0.00 39.48 39.37 1nso n PHE 21 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1nso s THR 22 N -2.14 2.38 0.18 4.37 2.01 -1.26 -0.37 115.64 120.81 1nso s THR 22 Ca 0.19 -0.92 0.01 0.00 0.31 0.00 0.00 61.69 61.29 1nso s THR 22 Cb -0.02 -1.93 -0.00 0.00 0.01 0.00 0.00 72.50 70.56 1nso s THR 22 CO 0.04 0.55 0.03 0.61 -0.69 0.00 0.00 174.62 175.16 1nso n GLY 23 N 3.35 3.86 3.53 4.40 0.00 -1.00 -4.93 105.19 114.40 1nso n GLY 23 Ca -0.18 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.38 1nso n GLY 23 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1nso s LEU 24 N 0.00 2.95 -0.25 0.99 -0.00 -1.25 -2.33 118.68 118.79 1nso s LEU 24 Ca 0.04 -0.14 -0.04 0.00 -0.00 0.00 0.00 54.13 53.99 1nso s LEU 24 Cb 0.00 -1.64 0.01 0.00 -0.00 0.00 0.00 46.19 44.56 1nso s LEU 24 CO 0.03 0.34 -0.02 -0.63 -0.00 0.00 0.00 176.35 176.06 1nso s ILE 25 N -0.82 3.33 -0.22 1.48 -1.09 -1.26 -4.63 121.20 118.00 1nso s ILE 25 Ca 0.13 -0.73 0.02 0.00 -2.23 0.00 0.00 60.65 57.84 1nso s ILE 25 Cb -0.11 -2.63 0.04 0.00 -1.58 0.00 0.00 42.46 38.19 1nso s ILE 25 CO 0.02 0.26 -0.15 0.54 -1.23 0.00 0.00 174.94 174.39 1nso s ASN 26 N 1.43 3.77 0.00 3.58 2.20 -1.26 -4.46 114.94 120.20 1nso s ASN 26 Ca 0.03 -1.02 0.07 0.00 -0.94 0.00 0.00 52.86 51.00 1nso s ASN 26 Cb -0.16 -1.49 0.40 0.00 -2.00 0.00 0.00 41.25 38.01 1nso s ASN 26 CO -0.02 -0.10 1.00 1.07 -2.94 0.00 0.00 177.10 176.10 1nso n THR 27 N 4.54 0.00 -1.61 0.54 5.66 -1.26 -2.83 114.28 119.32 1nso n THR 27 Ca -0.17 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 60.89 1nso n THR 27 Cb 0.46 -0.31 0.14 0.00 -1.55 0.00 0.00 70.33 69.07 1nso n THR 27 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1nso n GLY 28 N 0.25 3.92 3.75 1.09 0.00 -1.26 -5.07 105.19 107.86 1nso n GLY 28 Ca 0.05 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.71 1nso n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nso s ALA 29 N -2.27 2.24 0.00 4.61 0.00 -1.13 -4.97 121.76 120.24 1nso s ALA 29 Ca 0.31 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.83 1nso s ALA 29 Cb 0.30 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 20.07 1nso s ALA 29 CO -0.05 -1.67 0.00 -0.40 0.00 0.00 0.00 175.76 173.65 1nso n ASP 30 N -2.92 0.70 -3.39 0.00 5.75 -1.26 -4.13 116.55 111.30 1nso n ASP 30 Ca 0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.75 1nso n ASP 30 Cb 0.52 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.52 1nso n ASP 30 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1nso s VAL 31 N -1.67 -0.48 0.03 2.12 0.11 -1.26 -4.60 120.40 114.65 1nso s VAL 31 Ca 0.00 -0.27 -0.37 0.00 -2.93 0.00 0.00 61.98 58.41 1nso s VAL 31 Cb 0.00 -0.88 -0.16 0.00 -1.53 0.00 0.00 36.38 33.81 1nso s VAL 31 CO 0.00 -0.29 1.43 1.07 -3.33 0.00 0.00 175.10 173.98 1nso n THR 32 N 5.33 0.06 -3.67 5.04 5.66 -1.25 -4.83 114.28 120.62 1nso n THR 32 Ca -0.03 -0.01 -0.26 0.00 -3.05 0.00 0.00 64.05 60.70 1nso n THR 32 Cb 0.48 -0.94 -0.17 0.00 -1.55 0.00 0.00 70.33 68.16 1nso n THR 32 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1nso s ILE 33 N 1.05 0.17 -0.13 1.09 -1.09 0.14 -2.36 121.20 120.08 1nso s ILE 33 Ca 0.87 -0.24 0.00 0.00 -2.23 0.00 0.00 60.65 59.05 1nso s ILE 33 Cb -0.95 -0.70 -0.01 0.00 -1.58 0.00 0.00 42.46 39.21 1nso s ILE 33 CO 0.49 -0.17 -0.13 -0.51 -1.23 0.00 0.00 174.94 173.39 1nso s ILE 34 N 2.02 3.00 1.05 2.92 1.10 -0.48 -1.73 121.20 129.07 1nso s ILE 34 Ca 0.01 -0.68 -0.12 0.00 -0.51 0.00 0.00 60.65 59.35 1nso s ILE 34 Cb -0.16 -2.26 0.19 0.00 0.15 0.00 0.00 42.46 40.39 1nso s ILE 34 CO -0.08 0.52 0.94 2.29 -2.11 0.00 0.00 174.94 176.50 1nso n LYS 35 N 3.55 -1.38 0.25 3.50 -0.00 -1.26 -3.06 118.16 119.76 1nso n LYS 35 Ca -0.18 -0.36 0.10 0.00 -0.00 0.00 0.00 58.31 57.88 1nso n LYS 35 Cb 0.53 -2.19 0.63 0.00 -0.00 0.00 0.00 35.03 34.00 1nso n LYS 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1nso h LEU 36 N -2.22 0.00 -2.54 -5.58 6.46 -0.97 -2.59 115.31 107.88 1nso h LEU 36 Ca -0.52 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.24 1nso h LEU 36 Cb 1.30 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.23 1nso h LEU 36 CO 0.43 0.17 0.09 -0.33 -0.62 0.00 0.00 178.44 178.19 1nso h GLU 37 N 0.00 0.00 -0.30 1.25 5.08 -1.90 -0.45 114.58 118.26 1nso h GLU 37 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1nso h GLU 37 Cb 0.42 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 1nso h GLU 37 CO 0.02 0.00 -0.02 -0.25 -1.00 0.00 0.00 179.01 177.77 1nso n ASP 38 N -2.92 3.24 -4.90 1.42 9.92 -0.97 -5.01 116.55 117.33 1nso n ASP 38 Ca -0.03 -3.33 -0.34 0.00 -0.53 0.00 0.00 54.79 50.57 1nso n ASP 38 Cb 0.15 -0.58 -0.05 0.00 -0.64 0.00 0.00 41.12 40.00 1nso n ASP 38 CO 0.00 0.00 0.00 0.86 0.13 0.00 0.00 177.20 178.19 1nso s TRP 39 N -3.01 3.56 0.05 1.24 -0.00 -0.18 -5.02 118.94 115.59 1nso s TRP 39 Ca 0.43 0.43 -0.31 0.00 -0.00 0.00 0.00 56.10 56.65 1nso s TRP 39 Cb 0.37 -1.88 -0.06 0.00 -0.00 0.00 0.00 33.47 31.89 1nso s TRP 39 CO 0.05 0.64 1.29 -1.25 -0.00 0.00 0.00 176.95 177.68 1nso s PRO 40 N -1.87 4.37 0.00 5.86 0.04 -1.26 -4.92 135.00 137.22 1nso s PRO 40 Ca 0.27 1.88 0.17 0.00 0.04 0.00 0.00 61.00 63.37 1nso s PRO 40 Cb -0.13 -3.38 0.74 0.00 0.04 0.00 0.00 34.50 31.77 1nso s PRO 40 CO 0.17 -0.38 1.56 -2.30 0.04 0.00 0.00 177.00 176.09 1nso n PRO 41 N 4.31 0.00 -0.19 0.56 -0.02 -1.26 -3.57 135.00 134.84 1nso n PRO 41 Ca 0.11 0.21 -0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1nso n PRO 41 Cb 0.45 -1.51 0.09 0.00 -0.02 0.00 0.00 33.50 32.51 1nso n PRO 41 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1nso h ASN 42 N 0.00 -0.17 -4.43 2.55 -0.73 -2.06 -3.41 115.58 107.34 1nso h ASN 42 Ca 0.00 0.13 -0.62 0.00 1.87 0.00 0.00 56.30 57.68 1nso h ASN 42 Cb 0.30 0.21 -0.29 0.00 0.27 0.00 0.00 38.32 38.82 1nso h ASN 42 CO 0.00 -0.06 -0.86 -1.66 -0.37 0.00 0.00 177.43 174.48 1nso s TRP 43 N -6.14 1.95 0.64 0.67 -2.14 -1.23 -5.13 118.94 107.56 1nso s TRP 43 Ca -0.13 -0.37 -0.16 0.00 2.66 0.00 0.00 56.10 58.09 1nso s TRP 43 Cb 0.18 -1.24 -0.01 0.00 -3.10 0.00 0.00 33.47 29.30 1nso s TRP 43 CO 0.73 -0.00 1.13 -2.14 -2.66 0.00 0.00 176.95 174.01 1nso s PRO 44 N -0.66 2.85 0.38 3.25 0.02 -1.26 -4.88 135.00 134.70 1nso s PRO 44 Ca 0.08 1.52 0.04 0.00 0.02 0.00 0.00 61.00 62.66 1nso s PRO 44 Cb -0.09 -1.95 -0.03 0.00 0.02 0.00 0.00 34.50 32.46 1nso s PRO 44 CO -0.00 -1.23 0.14 0.96 -0.33 0.00 0.00 177.00 176.53 1nso s ILE 45 N -2.12 0.56 1.21 2.83 -5.25 -1.26 -5.08 121.20 112.08 1nso s ILE 45 Ca 0.70 -2.00 -0.20 0.00 -0.99 0.00 0.00 60.65 58.16 1nso s ILE 45 Cb -0.23 -2.43 0.30 0.00 2.95 0.00 0.00 42.46 43.05 1nso s ILE 45 CO 0.38 0.00 1.10 0.35 -1.79 0.00 0.00 174.94 174.98 1nso n THR 46 N -0.81 0.00 0.00 8.37 -2.24 -1.26 -4.97 114.28 113.37 1nso n THR 46 Ca -0.03 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1nso n THR 46 Cb 0.65 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 1nso n THR 46 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1nso n ASP 47 N -4.81 0.00 -3.88 3.42 -0.08 0.30 -4.48 116.55 107.02 1nso n ASP 47 Ca 0.15 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 53.14 1nso n ASP 47 Cb 0.58 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.88 1nso n ASP 47 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1nso s THR 48 N 0.00 1.15 0.47 5.18 -1.32 -1.25 -1.58 115.64 118.30 1nso s THR 48 Ca 0.00 -0.79 0.02 0.00 -1.21 0.00 0.00 61.69 59.71 1nso s THR 48 Cb 0.00 -1.40 -0.02 0.00 -1.51 0.00 0.00 72.50 69.57 1nso s THR 48 CO 0.00 0.02 0.06 -1.48 -2.21 0.00 0.00 174.62 171.01 1nso s LEU 49 N 1.59 2.15 -0.10 9.08 -0.00 0.84 -3.93 118.68 128.30 1nso s LEU 49 Ca -0.01 -1.68 0.01 0.00 -0.00 0.00 0.00 54.13 52.44 1nso s LEU 49 Cb -0.17 -0.44 -0.02 0.00 -0.00 0.00 0.00 46.19 45.56 1nso s LEU 49 CO -0.07 -0.91 -0.12 0.28 -0.00 0.00 0.00 176.35 175.53 1nso s THR 50 N -3.02 3.22 -0.38 5.48 -1.32 -1.26 -0.08 115.64 118.27 1nso s THR 50 Ca 0.13 -0.63 0.01 0.00 -1.21 0.00 0.00 61.69 59.99 1nso s THR 50 Cb 0.02 -2.33 0.12 0.00 -1.51 0.00 0.00 72.50 68.80 1nso s THR 50 CO 0.08 0.55 0.17 0.21 -2.21 0.00 0.00 174.62 173.42 1nso s ASN 51 N -0.08 3.80 -0.07 8.08 3.84 -0.80 -4.75 114.94 124.96 1nso s ASN 51 Ca -0.02 -2.20 -0.15 0.00 0.21 0.00 0.00 52.86 50.71 1nso s ASN 51 Cb -0.14 -0.95 -0.05 0.00 -0.55 0.00 0.00 41.25 39.56 1nso s ASN 51 CO 0.03 -0.33 0.37 -0.76 -2.79 0.00 0.00 177.10 173.63 1nso s LEU 52 N 0.91 4.38 -0.03 3.21 2.01 -1.23 -2.15 118.68 125.78 1nso s LEU 52 Ca 0.14 0.79 0.10 0.00 0.01 0.00 0.00 54.13 55.17 1nso s LEU 52 Cb -0.21 -2.51 0.34 0.00 0.01 0.00 0.00 46.19 43.81 1nso s LEU 52 CO -0.10 0.22 1.23 0.54 1.01 0.00 0.00 176.35 179.25 1nso n ARG 53 N 2.60 2.10 0.00 1.70 5.12 -0.94 -4.81 116.66 122.44 1nso n ARG 53 Ca -0.13 -1.36 0.00 0.00 -1.93 0.00 0.00 57.85 54.43 1nso n ARG 53 Cb 0.52 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.40 1nso n ARG 53 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1nso n GLY 54 N 0.89 0.82 0.23 -0.13 0.00 -1.26 -2.82 105.19 102.92 1nso n GLY 54 Ca 0.12 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.27 1nso n GLY 54 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1nso h ILE 55 N 0.00 0.05 -1.90 -0.61 3.07 -2.03 -3.35 117.51 112.74 1nso h ILE 55 Ca 0.00 -0.90 -0.49 0.00 1.55 0.00 0.00 64.86 65.02 1nso h ILE 55 Cb 0.00 1.86 -0.38 0.00 -0.27 0.00 0.00 36.82 38.03 1nso h ILE 55 CO 0.00 0.02 -1.14 0.61 -1.05 0.00 0.00 178.15 176.60 1nso n GLY 56 N 0.75 3.24 3.54 0.16 0.00 -1.13 -5.09 105.19 106.67 1nso n GLY 56 Ca 0.03 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.07 1nso n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nso n GLN 57 N 0.61 1.17 -4.25 1.61 10.64 -1.26 -2.20 117.38 123.71 1nso n GLN 57 Ca 0.23 0.19 -0.25 0.00 -1.83 0.00 0.00 57.00 55.34 1nso n GLN 57 Cb 0.63 -3.01 -0.08 0.00 -0.86 0.00 0.00 30.24 26.91 1nso n GLN 57 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.06 173.69 1nso s SER 58 N 10.01 4.31 0.30 2.61 1.04 -0.91 -4.82 113.70 126.24 1nso s SER 58 Ca 1.05 -1.06 -0.04 0.00 0.48 0.00 0.00 55.95 56.38 1nso s SER 58 Cb -0.46 -0.51 -0.05 0.00 0.10 0.00 0.00 66.02 65.11 1nso s SER 58 CO 0.35 -0.42 0.56 0.20 0.98 0.00 0.00 173.24 174.91 1nso s ASN 59 N -3.82 6.42 0.32 7.02 -0.87 -1.26 -1.91 114.94 120.84 1nso s ASN 59 Ca 0.38 0.69 0.06 0.00 -1.57 0.00 0.00 52.86 52.42 1nso s ASN 59 Cb 0.03 -2.13 -0.02 0.00 -0.02 0.00 0.00 41.25 39.10 1nso s ASN 59 CO 0.21 -0.22 0.29 0.59 -2.57 0.00 0.00 177.10 175.40 1nso n ASN 60 N -1.07 -0.74 -4.65 -1.22 4.13 0.88 -4.58 115.26 108.01 1nso n ASN 60 Ca -0.02 -3.06 -0.35 0.00 1.68 0.00 0.00 54.58 52.83 1nso n ASN 60 Cb 0.54 1.69 -0.09 0.00 -1.54 0.00 0.00 39.78 40.37 1nso n ASN 60 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1nso s PRO 61 N -3.24 3.86 -0.09 3.52 0.04 -1.24 -0.12 135.00 137.73 1nso s PRO 61 Ca 0.37 -0.34 -0.30 0.00 0.04 0.00 0.00 61.00 60.77 1nso s PRO 61 Cb 0.02 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.36 1nso s PRO 61 CO 0.26 0.34 1.15 0.15 0.04 0.00 0.00 177.00 178.94 1nso s LYS 62 N 0.18 4.35 -0.23 4.56 1.02 -0.61 -4.09 119.74 124.91 1nso s LYS 62 Ca 0.04 1.58 -0.17 0.00 0.02 0.00 0.00 55.97 57.45 1nso s LYS 62 Cb -0.12 -3.59 -0.03 0.00 -0.52 0.00 0.00 37.83 33.57 1nso s LYS 62 CO 0.01 -0.46 0.45 -0.65 -0.92 0.00 0.00 175.35 173.77 1nso s GLN 63 N 2.40 4.12 1.03 1.68 1.11 -1.26 0.11 119.66 128.84 1nso s GLN 63 Ca 0.53 0.24 -0.14 0.00 0.01 0.00 0.00 55.36 56.00 1nso s GLN 63 Cb -0.22 -3.60 0.11 0.00 -1.01 0.00 0.00 33.01 28.29 1nso s GLN 63 CO 0.19 -0.19 0.46 0.45 0.01 0.00 0.00 175.29 176.21 1nso n SER 64 N 5.00 -1.80 -0.00 5.90 2.88 -0.81 -4.75 113.62 120.05 1nso n SER 64 Ca -0.06 0.14 0.02 0.00 -1.33 0.00 0.00 58.87 57.63 1nso n SER 64 Cb 0.50 -1.17 -0.03 0.00 -0.75 0.00 0.00 64.21 62.76 1nso n SER 64 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1nso n SER 65 N -2.31 3.78 0.00 -3.46 3.41 -1.26 -2.41 113.62 111.37 1nso n SER 65 Ca 0.05 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1nso n SER 65 Cb 0.56 1.15 0.00 0.00 -0.26 0.00 0.00 64.21 65.66 1nso n SER 65 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1nso n LYS 66 N -1.57 0.00 -1.75 4.33 4.81 -1.26 -3.40 118.16 119.31 1nso n LYS 66 Ca -0.01 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.02 1nso n LYS 66 Cb 0.09 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.14 1nso n LYS 66 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1nso n TYR 67 N 0.00 2.83 -3.26 5.64 4.02 -1.26 -4.09 117.16 121.03 1nso n TYR 67 Ca 0.00 0.43 -0.42 0.00 -0.01 0.00 0.00 57.90 57.90 1nso n TYR 67 Cb 0.00 -2.52 -0.08 0.00 -0.02 0.00 0.00 39.34 36.72 1nso n TYR 67 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1nso s LEU 68 N -1.56 4.61 -0.32 7.72 2.96 0.17 -4.92 118.68 127.33 1nso s LEU 68 Ca 0.56 -0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 53.97 1nso s LEU 68 Cb -0.50 -2.50 -0.01 0.00 0.50 0.00 0.00 46.19 43.67 1nso s LEU 68 CO 0.61 -0.57 0.19 0.42 -1.32 0.00 0.00 176.35 175.67 1nso s THR 69 N 2.33 4.89 -0.01 3.68 -4.23 -1.26 -2.26 115.64 118.78 1nso s THR 69 Ca 0.16 -0.32 0.01 0.00 -1.18 0.00 0.00 61.69 60.36 1nso s THR 69 Cb -0.16 -3.50 -0.00 0.00 1.34 0.00 0.00 72.50 70.18 1nso s THR 69 CO 0.14 0.04 -0.05 0.86 -0.54 0.00 0.00 174.62 175.08 1nso s TRP 70 N 1.66 0.46 -0.12 3.99 -0.00 -0.76 -1.91 118.94 122.26 1nso s TRP 70 Ca 0.05 -0.09 -0.23 0.00 -0.00 0.00 0.00 56.10 55.84 1nso s TRP 70 Cb -0.17 -0.32 0.05 0.00 -0.00 0.00 0.00 33.47 33.04 1nso s TRP 70 CO 0.08 -0.02 0.56 1.03 -0.00 0.00 0.00 176.95 178.60 1nso s ARG 71 N -0.01 0.80 0.61 5.86 1.81 0.56 -1.28 118.95 127.31 1nso s ARG 71 Ca 0.01 0.43 -0.12 0.00 -1.72 0.00 0.00 55.73 54.33 1nso s ARG 71 Cb -0.03 0.38 -0.04 0.00 -0.45 0.00 0.00 34.95 34.81 1nso s ARG 71 CO -0.00 -0.18 1.03 -0.51 -0.68 0.00 0.00 175.30 174.95 1nso s ASP 72 N -0.50 6.14 0.64 0.23 1.01 0.58 -0.71 116.67 124.06 1nso s ASP 72 Ca -0.06 1.50 0.12 0.00 0.71 0.00 0.00 52.55 54.82 1nso s ASP 72 Cb -0.03 -2.48 0.52 0.00 1.01 0.00 0.00 42.92 41.93 1nso s ASP 72 CO 0.05 -0.93 1.23 0.07 0.21 0.00 0.00 175.17 175.80 1nso h LYS 73 N -0.11 0.00 -0.90 8.23 5.09 -1.84 2.61 116.57 129.64 1nso h LYS 73 Ca -0.45 0.00 -0.19 0.00 0.09 0.00 0.00 60.65 60.10 1nso h LYS 73 Cb 1.19 0.00 -0.11 0.00 0.10 0.00 0.00 32.23 33.41 1nso h LYS 73 CO 0.61 0.00 0.24 -1.91 -2.09 0.00 0.00 179.45 176.30 1nso n GLU 74 N -2.82 2.38 -3.92 0.07 0.00 -1.26 -4.88 120.64 110.22 1nso n GLU 74 Ca 0.07 -1.85 -0.28 0.00 0.00 0.00 0.00 57.16 55.10 1nso n GLU 74 Cb 1.06 -1.81 -0.01 0.00 0.00 0.00 0.00 31.44 30.68 1nso n GLU 74 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1nso n ASN 75 N -0.16 -1.45 -3.66 4.31 6.94 0.87 -4.98 115.26 117.13 1nso n ASN 75 Ca 0.29 -1.03 -0.08 0.00 -0.02 0.00 0.00 54.58 53.73 1nso n ASN 75 Cb 1.06 -3.00 -0.08 0.00 -2.36 0.00 0.00 39.78 35.40 1nso n ASN 75 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1nso s ASN 76 N -4.15 -0.73 0.00 0.53 0.01 -1.09 -4.82 114.94 104.69 1nso s ASN 76 Ca 0.12 1.23 0.00 0.00 -0.71 0.00 0.00 52.86 53.50 1nso s ASN 76 Cb -0.05 1.22 0.00 0.00 0.41 0.00 0.00 41.25 42.83 1nso s ASN 76 CO 0.89 -0.22 0.00 -0.24 -1.51 0.00 0.00 177.10 176.02 1nso n SER 77 N 4.49 0.00 0.00 -1.22 2.88 -1.26 -0.31 113.62 118.21 1nso n SER 77 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1nso n SER 77 Cb 0.56 0.02 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 1nso n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nso n GLY 78 N -1.00 3.04 3.49 0.46 0.00 -0.41 -3.69 105.19 107.08 1nso n GLY 78 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.46 1nso n GLY 78 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1nso s LEU 79 N 0.00 -0.51 0.00 0.99 2.34 -1.26 -1.83 118.68 118.42 1nso s LEU 79 Ca 0.00 1.24 -0.07 0.00 0.06 0.00 0.00 54.13 55.36 1nso s LEU 79 Cb 0.00 1.98 0.03 0.00 -0.56 0.00 0.00 46.19 47.64 1nso s LEU 79 CO 0.00 -0.22 0.39 2.30 -1.06 0.00 0.00 176.35 177.76 1nso n ILE 80 N 3.87 0.00 -3.20 1.48 -0.00 -0.96 -4.96 119.36 115.59 1nso n ILE 80 Ca -0.19 -0.54 -0.44 0.00 -0.00 0.00 0.00 62.75 61.58 1nso n ILE 80 Cb 0.57 0.50 -0.07 0.00 -0.00 0.00 0.00 39.64 40.65 1nso n ILE 80 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1nso s LYS 81 N -2.08 3.11 0.00 6.28 2.20 -1.26 0.42 119.74 128.41 1nso s LYS 81 Ca 0.09 -0.89 0.00 0.00 -0.36 0.00 0.00 55.97 54.81 1nso s LYS 81 Cb -0.02 -4.08 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 1nso s LYS 81 CO 0.06 -1.14 0.00 -0.35 -0.36 0.00 0.00 175.35 173.57 1nso n PRO 82 N 6.00 1.68 -4.05 4.03 -0.04 -1.22 -4.97 135.00 136.42 1nso n PRO 82 Ca -0.07 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.05 1nso n PRO 82 Cb 0.46 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.76 1nso n PRO 82 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nso s PHE 83 N 1.16 2.85 -0.35 0.54 0.08 -0.99 -4.20 117.98 117.06 1nso s PHE 83 Ca 0.00 -1.36 -0.11 0.00 0.12 0.00 0.00 56.93 55.58 1nso s PHE 83 Cb 0.00 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.47 1nso s PHE 83 CO 0.00 -0.70 0.20 0.08 -0.10 0.00 0.00 175.22 174.70 1nso s VAL 84 N 1.35 4.78 -0.04 -0.44 1.01 -1.01 -1.39 120.40 124.66 1nso s VAL 84 Ca 0.05 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1nso s VAL 84 Cb -0.14 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1nso s VAL 84 CO -0.09 -0.08 -0.20 -0.63 0.00 0.00 0.00 175.10 174.10 1nso s ILE 85 N 1.62 2.56 -0.05 2.22 -1.09 -1.17 -1.92 121.20 123.38 1nso s ILE 85 Ca 0.04 -0.91 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 1nso s ILE 85 Cb -0.18 -1.95 0.04 0.00 -1.58 0.00 0.00 42.46 38.79 1nso s ILE 85 CO 0.07 0.59 1.68 -0.81 -1.23 0.00 0.00 174.94 175.24 1nso n PRO 86 N 2.38 1.12 0.00 2.79 -0.04 -1.26 -0.38 135.00 139.61 1nso n PRO 86 Ca -0.17 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 1nso n PRO 86 Cb 0.52 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.88 1nso n PRO 86 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1nso n ASN 87 N 0.98 0.33 -1.66 3.54 5.15 -1.26 -4.92 115.26 117.42 1nso n ASN 87 Ca 0.05 -0.73 -0.01 0.00 -0.60 0.00 0.00 54.58 53.29 1nso n ASN 87 Cb 0.54 0.19 0.00 0.00 -0.53 0.00 0.00 39.78 39.98 1nso n ASN 87 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1nso n LEU 88 N -0.19 -2.74 -0.40 1.20 7.94 -1.22 -4.89 117.00 116.70 1nso n LEU 88 Ca 0.00 0.08 0.00 0.00 -1.11 0.00 0.00 56.01 54.98 1nso n LEU 88 Cb 0.08 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 42.73 1nso n LEU 88 CO 0.00 -0.31 0.20 -2.65 -1.11 0.00 0.00 177.39 173.52 1nso n PRO 89 N -0.38 0.66 -0.59 1.96 -0.02 -1.26 -4.73 135.00 130.63 1nso n PRO 89 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1nso n PRO 89 Cb 0.05 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.26 1nso n PRO 89 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1nso n VAL 90 N 0.04 0.00 -2.96 -1.45 0.31 -1.26 -4.38 118.33 108.63 1nso n VAL 90 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 1nso n VAL 90 Cb 0.13 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.07 1nso n VAL 90 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1nso n ASN 91 N 0.00 -7.72 -4.39 4.52 4.13 -1.24 -5.02 115.26 105.54 1nso n ASN 91 Ca 0.00 0.33 -0.33 0.00 1.68 0.00 0.00 54.58 56.26 1nso n ASN 91 Cb 0.00 -5.09 -0.14 0.00 -1.54 0.00 0.00 39.78 33.01 1nso n ASN 91 CO 0.00 0.00 0.00 -1.48 0.28 0.00 0.00 177.26 176.06 1nso s LEU 92 N -2.97 2.61 0.72 3.41 2.34 -0.71 -4.84 118.68 119.25 1nso s LEU 92 Ca 0.19 -0.31 -0.06 0.00 0.06 0.00 0.00 54.13 54.01 1nso s LEU 92 Cb -0.05 -1.55 0.08 0.00 -0.56 0.00 0.00 46.19 44.11 1nso s LEU 92 CO 0.77 0.24 1.02 0.86 -1.06 0.00 0.00 176.35 178.19 1nso s TRP 93 N -0.11 2.62 -0.02 3.48 -0.11 -1.26 0.26 118.94 123.80 1nso s TRP 93 Ca -0.02 0.31 -0.16 0.00 1.22 0.00 0.00 56.10 57.44 1nso s TRP 93 Cb -0.14 -3.23 -0.05 0.00 -1.50 0.00 0.00 33.47 28.55 1nso s TRP 93 CO 0.04 -1.53 0.44 0.20 -4.62 0.00 0.00 176.95 171.48 1nso s GLY 94 N -4.57 2.48 0.44 5.86 0.00 -1.26 -3.86 107.32 106.41 1nso s GLY 94 Ca 0.62 -0.18 0.23 0.00 0.00 0.00 0.00 44.72 45.39 1nso s GLY 94 CO 0.45 0.34 1.79 -0.09 0.00 0.00 0.00 173.10 175.58 1nso h ARG 95 N 5.16 0.27 -0.16 2.90 9.65 -1.81 -0.18 114.38 130.20 1nso h ARG 95 Ca -0.49 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.40 1nso h ARG 95 Cb 1.21 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 1nso h ARG 95 CO 0.65 0.18 0.03 -0.44 2.80 0.00 0.00 179.97 183.19 1nso h ASP 96 N 0.28 0.01 1.70 -3.80 5.19 -1.92 0.17 116.42 118.04 1nso h ASP 96 Ca 0.57 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 57.00 1nso h ASP 96 Cb 1.67 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 41.21 1nso h ASP 96 CO -0.21 0.03 -0.05 -0.07 -3.12 0.00 0.00 179.24 175.82 1nso h LEU 97 N 0.10 0.00 -0.00 1.55 3.38 -1.38 -2.76 115.31 116.19 1nso h LEU 97 Ca 0.07 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 1nso h LEU 97 Cb 0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1nso h LEU 97 CO -0.10 0.05 -0.43 -0.07 0.09 0.00 0.00 178.44 177.98 1nso h LEU 98 N 0.00 0.38 -0.50 1.67 -0.00 -0.60 0.28 115.31 116.54 1nso h LEU 98 Ca -0.00 -0.76 0.04 0.00 -0.00 0.00 0.00 57.88 57.16 1nso h LEU 98 Cb 0.91 -0.12 -0.04 0.00 -0.00 0.00 0.00 40.66 41.41 1nso h LEU 98 CO 0.01 1.10 0.26 -1.28 -0.00 0.00 0.00 178.44 178.52 1nso h SER 99 N -0.29 0.38 -0.28 -0.43 0.87 -0.69 -2.06 113.55 111.05 1nso h SER 99 Ca -0.05 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 1nso h SER 99 Cb 1.16 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1nso h SER 99 CO 0.08 0.26 -0.11 1.56 -0.53 0.00 0.00 176.83 178.10 1nso h GLN 100 N 0.51 0.57 -0.44 2.24 4.20 -1.52 0.27 115.11 120.94 1nso h GLN 100 Ca 0.22 -0.24 0.04 0.00 0.06 0.00 0.00 58.65 58.73 1nso h GLN 100 Cb 0.11 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.82 1nso h GLN 100 CO -0.15 0.80 -0.26 -0.12 -0.67 0.00 0.00 178.83 178.43 1nso n MET 101 N -4.46 -0.19 -2.70 1.46 1.56 0.98 -4.30 117.12 109.47 1nso n MET 101 Ca -0.03 1.10 -0.07 0.00 -0.27 0.00 0.00 57.70 58.43 1nso n MET 101 Cb 0.34 -1.64 0.10 0.00 2.15 0.00 0.00 33.22 34.18 1nso n MET 101 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1nso n LYS 102 N -3.98 1.07 0.00 2.12 4.01 -1.06 -4.93 118.16 115.38 1nso n LYS 102 Ca 0.01 -1.73 0.00 0.00 -0.51 0.00 0.00 58.31 56.08 1nso n LYS 102 Cb 0.11 -0.20 0.00 0.00 -0.51 0.00 0.00 35.03 34.44 1nso n LYS 102 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1nso n ILE 103 N -0.42 0.00 -4.06 -0.18 5.41 0.16 -5.01 119.36 115.25 1nso n ILE 103 Ca -0.04 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.37 1nso n ILE 103 Cb 0.81 -0.29 -0.07 0.00 -0.71 0.00 0.00 39.64 39.38 1nso n ILE 103 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 176.55 176.23 1nso s MET 104 N -0.68 3.19 -0.57 0.38 0.00 0.72 -5.02 119.30 117.32 1nso s MET 104 Ca 0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 55.69 55.05 1nso s MET 104 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 34.83 31.86 1nso s MET 104 CO 0.00 0.69 1.80 1.41 0.00 0.00 0.00 175.02 178.91 1nso s MET 105 N -1.51 2.80 -0.38 4.11 1.75 -1.26 -4.36 119.30 120.45 1nso s MET 105 Ca 0.21 0.68 -0.29 0.00 -1.25 0.00 0.00 55.69 55.04 1nso s MET 105 Cb -0.12 -4.33 0.00 0.00 2.84 0.00 0.00 34.83 33.22 1nso s MET 105 CO 0.11 -2.53 1.44 0.00 -0.65 0.00 0.00 175.02 173.39 1nso s ALA 106 N 8.43 3.09 0.00 4.11 0.00 -1.26 -5.12 121.76 131.01 1nso s ALA 106 Ca 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.58 1nso s ALA 106 Cb -0.14 -3.92 0.00 0.00 0.00 0.00 0.00 23.12 19.07 1nso s ALA 106 CO 0.23 -2.29 0.00 0.43 0.00 0.00 0.00 175.76 174.12