#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 4.04 0.05 -0.99 1.01 -1.26 -4.88 120.40 118.37 1nso s VAL 2 Ca 0.00 -1.47 -0.13 0.00 0.00 0.00 0.00 61.98 60.38 1nso s VAL 2 Cb 0.00 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.28 1nso s VAL 2 CO 0.00 -0.25 0.30 0.00 0.00 0.00 0.00 175.10 175.15 1nso s GLN 3 N -3.45 0.83 0.05 2.72 1.03 -1.26 -4.98 119.66 114.60 1nso s GLN 3 Ca 0.31 -0.55 -0.31 0.00 0.04 0.00 0.00 55.36 54.85 1nso s GLN 3 Cb -0.08 0.36 -0.07 0.00 0.03 0.00 0.00 33.01 33.24 1nso s GLN 3 CO 0.22 -0.27 1.43 -1.25 -2.54 0.00 0.00 175.29 172.88 1nso s PRO 4 N -2.72 4.28 -0.00 9.60 0.04 -1.26 -4.54 135.00 140.40 1nso s PRO 4 Ca -0.04 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 1nso s PRO 4 Cb -0.00 -3.45 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 1nso s PRO 4 CO -0.04 -0.54 1.40 -1.50 0.04 0.00 0.00 177.00 176.35 1nso s ILE 5 N 1.93 3.71 -0.03 0.56 1.10 -1.26 -4.99 121.20 122.22 1nso s ILE 5 Ca 0.66 1.09 -0.26 0.00 -0.51 0.00 0.00 60.65 61.63 1nso s ILE 5 Cb -0.35 -3.70 -0.04 0.00 0.15 0.00 0.00 42.46 38.53 1nso s ILE 5 CO 0.29 -0.00 0.81 0.28 -2.11 0.00 0.00 174.94 174.20 1nso s THR 6 N 2.41 4.96 0.28 4.00 -1.32 -1.26 -4.77 115.64 119.94 1nso s THR 6 Ca 0.64 1.68 0.00 0.00 -1.21 0.00 0.00 61.69 62.80 1nso s THR 6 Cb -0.31 -4.15 0.00 0.00 -1.51 0.00 0.00 72.50 66.53 1nso s THR 6 CO 0.26 0.23 0.00 0.00 -2.21 0.00 0.00 174.62 172.90 1nso n ALA 7 N 3.75 -2.21 -1.53 11.08 0.00 -1.26 -4.61 120.51 125.72 1nso n ALA 7 Ca 0.01 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.48 1nso n ALA 7 Cb 0.51 -1.29 -0.07 0.00 0.00 0.00 0.00 19.45 18.60 1nso n ALA 7 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1nso n GLN 8 N 0.60 0.67 -3.85 0.00 3.00 -1.26 -4.88 117.38 111.66 1nso n GLN 8 Ca 0.00 -0.03 -0.12 0.00 -0.01 0.00 0.00 57.00 56.84 1nso n GLN 8 Cb 0.00 -2.79 -0.11 0.00 0.00 0.00 0.00 30.24 27.34 1nso n GLN 8 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1nso s LYS 9 N 8.53 0.33 -0.52 -1.09 3.01 -1.26 -5.05 119.74 123.69 1nso s LYS 9 Ca 1.11 -0.10 -0.04 0.00 -1.01 0.00 0.00 55.97 55.92 1nso s LYS 9 Cb -0.53 0.14 -0.06 0.00 -1.01 0.00 0.00 37.83 36.37 1nso s LYS 9 CO 0.33 -0.07 1.87 -0.35 0.51 0.00 0.00 175.35 177.65 1nso n PRO 10 N 2.21 1.43 -3.28 -1.68 -0.04 -1.24 -4.55 135.00 127.85 1nso n PRO 10 Ca -0.18 -1.03 -0.05 0.00 -0.04 0.00 0.00 63.50 62.20 1nso n PRO 10 Cb 0.57 -2.18 -0.06 0.00 -0.04 0.00 0.00 33.50 31.79 1nso n PRO 10 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1nso s SER 11 N 3.43 -0.24 0.04 3.54 0.01 -1.26 -3.59 113.70 115.63 1nso s SER 11 Ca 0.31 0.32 -0.06 0.00 1.31 0.00 0.00 55.95 57.83 1nso s SER 11 Cb 0.10 1.43 -0.01 0.00 0.21 0.00 0.00 66.02 67.74 1nso s SER 11 CO -0.02 -0.30 0.10 -1.48 0.41 0.00 0.00 173.24 171.96 1nso s LEU 12 N 2.64 1.76 -0.32 2.44 2.34 -1.04 -4.81 118.68 121.69 1nso s LEU 12 Ca 0.14 -0.50 -0.08 0.00 0.06 0.00 0.00 54.13 53.75 1nso s LEU 12 Cb -0.15 0.63 0.01 0.00 -0.56 0.00 0.00 46.19 46.12 1nso s LEU 12 CO -0.19 -0.50 0.13 -0.89 -1.06 0.00 0.00 176.35 173.83 1nso s THR 13 N -2.50 4.27 0.25 5.48 2.01 -1.26 -1.15 115.64 122.73 1nso s THR 13 Ca -0.06 -0.66 -0.00 0.00 0.31 0.00 0.00 61.69 61.28 1nso s THR 13 Cb -0.02 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1nso s THR 13 CO -0.04 0.01 0.23 -0.76 -0.69 0.00 0.00 174.62 173.36 1nso s LEU 14 N 1.54 1.21 0.06 4.42 1.43 -0.98 -4.18 118.68 122.17 1nso s LEU 14 Ca 0.03 -1.44 0.03 0.00 -1.03 0.00 0.00 54.13 51.71 1nso s LEU 14 Cb -0.18 0.64 -0.04 0.00 0.03 0.00 0.00 46.19 46.64 1nso s LEU 14 CO 0.04 -0.96 0.07 -1.66 0.23 0.00 0.00 176.35 174.08 1nso s TRP 15 N -3.89 3.19 -0.03 0.29 1.48 0.59 0.03 118.94 120.60 1nso s TRP 15 Ca 0.37 0.09 -0.06 0.00 -1.06 0.00 0.00 56.10 55.45 1nso s TRP 15 Cb 0.05 -1.64 0.01 0.00 -1.16 0.00 0.00 33.47 30.73 1nso s TRP 15 CO 0.16 0.52 0.13 -0.48 -4.06 0.00 0.00 176.95 173.22 1nso s LEU 16 N -2.25 1.55 -1.38 -4.66 0.05 0.61 -0.35 118.68 112.25 1nso s LEU 16 Ca 0.28 0.03 -0.12 0.00 0.05 0.00 0.00 54.13 54.36 1nso s LEU 16 Cb -0.12 0.54 0.10 0.00 -2.05 0.00 0.00 46.19 44.66 1nso s LEU 16 CO 0.20 -0.20 0.58 0.47 -0.55 0.00 0.00 176.35 176.85 1nso n ASP 17 N 2.26 -3.53 -2.79 1.48 9.92 -0.76 -0.52 116.55 122.60 1nso n ASP 17 Ca -0.18 -0.56 -0.14 0.00 -0.53 0.00 0.00 54.79 53.39 1nso n ASP 17 Cb 0.57 -2.92 0.06 0.00 -0.64 0.00 0.00 41.12 38.20 1nso n ASP 17 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1nso n ASP 18 N -2.38 -2.77 -3.51 -2.24 8.00 -1.26 -5.02 116.55 107.36 1nso n ASP 18 Ca 0.02 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.08 1nso n ASP 18 Cb 0.52 -3.90 -0.04 0.00 -0.02 0.00 0.00 41.12 37.68 1nso n ASP 18 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1nso s LYS 19 N -5.23 0.42 0.50 -1.24 1.02 0.32 -5.16 119.74 110.37 1nso s LYS 19 Ca 0.10 1.04 -0.22 0.00 0.02 0.00 0.00 55.97 56.90 1nso s LYS 19 Cb -0.04 0.61 -0.06 0.00 -0.52 0.00 0.00 37.83 37.82 1nso s LYS 19 CO 0.54 -0.14 1.25 -1.64 -0.92 0.00 0.00 175.35 174.44 1nso s MET 20 N 2.61 3.49 -0.30 1.68 -1.94 -1.26 -0.28 119.30 123.31 1nso s MET 20 Ca -0.04 1.99 -0.26 0.00 -1.71 0.00 0.00 55.69 55.66 1nso s MET 20 Cb -0.08 -2.35 0.19 0.00 2.01 0.00 0.00 34.83 34.60 1nso s MET 20 CO -0.18 -0.83 1.43 0.12 -0.01 0.00 0.00 175.02 175.55 1nso s PHE 21 N -1.43 -0.04 -0.04 -0.03 5.36 0.10 -4.87 117.98 117.04 1nso s PHE 21 Ca 0.67 0.08 -0.21 0.00 -0.96 0.00 0.00 56.93 56.51 1nso s PHE 21 Cb -0.34 0.49 -0.05 0.00 -0.34 0.00 0.00 43.02 42.78 1nso s PHE 21 CO 0.41 -0.02 0.61 -0.08 -1.46 0.00 0.00 175.22 174.67 1nso s THR 22 N -0.31 4.99 0.00 0.12 -1.32 -1.26 -2.33 115.64 115.53 1nso s THR 22 Ca 0.08 1.26 0.00 0.00 -1.21 0.00 0.00 61.69 61.82 1nso s THR 22 Cb -0.04 -3.95 0.00 0.00 -1.51 0.00 0.00 72.50 67.01 1nso s THR 22 CO -0.14 0.35 0.00 0.61 -2.21 0.00 0.00 174.62 173.24 1nso n GLY 23 N 2.78 5.97 3.14 6.08 0.00 -0.30 -4.92 105.19 117.94 1nso n GLY 23 Ca -0.05 -2.09 -0.32 0.00 0.00 0.00 0.00 46.02 43.56 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 2.05 -0.39 0.99 -0.00 -1.26 -2.50 118.68 117.57 1nso s LEU 24 Ca 0.00 -0.59 -0.20 0.00 -0.00 0.00 0.00 54.13 53.35 1nso s LEU 24 Cb 0.00 -1.40 0.01 0.00 -0.00 0.00 0.00 46.19 44.80 1nso s LEU 24 CO 0.00 0.05 0.59 -0.63 -0.00 0.00 0.00 176.35 176.37 1nso s ILE 25 N 0.94 4.91 -0.21 1.48 -1.09 -1.24 -4.73 121.20 121.26 1nso s ILE 25 Ca -0.05 0.31 -0.03 0.00 -2.23 0.00 0.00 60.65 58.65 1nso s ILE 25 Cb -0.15 -4.09 -0.01 0.00 -1.58 0.00 0.00 42.46 36.63 1nso s ILE 25 CO -0.04 -0.39 -0.05 0.54 -1.23 0.00 0.00 174.94 173.77 1nso s ASN 26 N 1.86 4.26 0.00 3.58 2.20 -1.26 -3.65 114.94 121.93 1nso s ASN 26 Ca 0.22 -0.38 0.07 0.00 -0.94 0.00 0.00 52.86 51.82 1nso s ASN 26 Cb -0.15 -1.72 0.42 0.00 -2.00 0.00 0.00 41.25 37.80 1nso s ASN 26 CO 0.16 0.00 1.06 1.07 -2.94 0.00 0.00 177.10 176.45 1nso n THR 27 N 4.64 0.00 -2.48 0.54 5.66 -1.26 -3.11 114.28 118.28 1nso n THR 27 Ca -0.18 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.74 1nso n THR 27 Cb 0.51 -0.27 0.04 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 0.33 3.48 3.74 1.09 0.00 -1.26 -5.08 105.19 107.49 1nso n GLY 28 Ca 0.05 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.44 3.57 0.00 4.61 0.00 -1.18 -4.87 121.76 120.45 1nso s ALA 29 Ca 0.36 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1nso s ALA 29 Cb 0.36 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1nso s ALA 29 CO -0.02 -0.64 0.21 -0.40 0.00 0.00 0.00 175.76 174.90 1nso n ASP 30 N 2.28 0.00 -3.33 0.00 5.68 -1.26 -3.74 116.55 116.19 1nso n ASP 30 Ca 0.06 -1.04 -0.11 0.00 -0.50 0.00 0.00 54.79 53.20 1nso n ASP 30 Cb 0.41 -0.01 -0.07 0.00 -1.14 0.00 0.00 41.12 40.32 1nso n ASP 30 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1nso s VAL 31 N 0.00 -0.59 -0.67 2.12 0.11 -1.26 -5.01 120.40 115.10 1nso s VAL 31 Ca 0.00 -0.32 -0.27 0.00 -2.93 0.00 0.00 61.98 58.46 1nso s VAL 31 Cb 0.00 -0.98 0.03 0.00 -1.53 0.00 0.00 36.38 33.91 1nso s VAL 31 CO 0.00 -0.31 1.22 0.42 -3.33 0.00 0.00 175.10 173.10 1nso s THR 32 N 2.51 3.88 -0.02 5.04 -4.23 -1.26 -4.42 115.64 117.13 1nso s THR 32 Ca 0.10 0.55 0.00 0.00 -1.18 0.00 0.00 61.69 61.16 1nso s THR 32 Cb -0.13 -4.83 0.02 0.00 1.34 0.00 0.00 72.50 68.91 1nso s THR 32 CO -0.30 -1.63 0.01 -0.63 -0.54 0.00 0.00 174.62 171.54 1nso s ILE 33 N 5.32 0.03 -0.19 2.99 -1.09 -0.94 -2.07 121.20 125.26 1nso s ILE 33 Ca 0.37 0.14 -0.01 0.00 -2.23 0.00 0.00 60.65 58.92 1nso s ILE 33 Cb -0.08 -0.14 0.05 0.00 -1.58 0.00 0.00 42.46 40.71 1nso s ILE 33 CO 0.19 0.10 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.34 1nso s ILE 34 N 0.90 1.06 1.00 2.92 1.09 -0.85 -1.94 121.20 125.39 1nso s ILE 34 Ca -0.08 -0.78 -0.17 0.00 -1.10 0.00 0.00 60.65 58.52 1nso s ILE 34 Cb -0.11 -1.36 -0.04 0.00 -1.06 0.00 0.00 42.46 39.88 1nso s ILE 34 CO -0.02 -0.04 -0.33 2.29 -0.10 0.00 0.00 174.94 176.74 1nso n LYS 35 N 4.87 -0.39 0.19 2.79 0.00 -1.26 -3.46 118.16 120.89 1nso n LYS 35 Ca -0.11 -0.09 0.06 0.00 -0.00 0.00 0.00 58.31 58.17 1nso n LYS 35 Cb 0.46 -1.43 0.30 0.00 -0.00 0.00 0.00 35.03 34.36 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 -1.39 0.00 -0.68 -5.58 6.46 -1.15 -3.07 115.31 109.89 1nso h LEU 36 Ca -0.45 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.31 1nso h LEU 36 Cb 1.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 1nso h LEU 36 CO 0.29 0.35 0.00 -0.62 -0.62 0.00 0.00 178.44 177.84 1nso n GLU 37 N -3.40 0.08 -0.36 1.25 1.02 -1.26 -1.71 120.64 116.27 1nso n GLU 37 Ca 0.01 0.51 0.07 0.00 -0.02 0.00 0.00 57.16 57.73 1nso n GLU 37 Cb 0.54 -1.74 0.18 0.00 -0.02 0.00 0.00 31.44 30.40 1nso n GLU 37 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1nso n ASP 38 N -1.91 2.39 -4.92 1.62 2.03 -1.16 -5.04 116.55 109.57 1nso n ASP 38 Ca 0.00 -3.39 -0.30 0.00 0.52 0.00 0.00 54.79 51.62 1nso n ASP 38 Cb 0.07 -0.50 -0.04 0.00 -0.72 0.00 0.00 41.12 39.93 1nso n ASP 38 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1nso s TRP 39 N -3.02 3.49 -0.10 -0.67 -0.00 -0.69 -5.02 118.94 112.94 1nso s TRP 39 Ca 0.37 0.36 -0.30 0.00 -0.00 0.00 0.00 56.10 56.52 1nso s TRP 39 Cb 0.33 -1.85 -0.08 0.00 -0.00 0.00 0.00 33.47 31.86 1nso s TRP 39 CO 0.01 0.47 2.06 -2.30 -0.00 0.00 0.00 176.95 177.19 1nso n PRO 40 N -0.13 2.33 0.00 5.86 -0.02 -1.26 -4.85 135.00 136.93 1nso n PRO 40 Ca -0.04 0.79 0.09 0.00 -2.02 0.00 0.00 63.50 62.31 1nso n PRO 40 Cb 0.52 -2.99 0.39 0.00 -0.02 0.00 0.00 33.50 31.41 1nso n PRO 40 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1nso n PRO 41 N 7.83 0.05 -0.30 0.52 -0.04 -1.26 -3.26 135.00 138.54 1nso n PRO 41 Ca 0.25 0.18 -0.02 0.00 -0.04 0.00 0.00 63.50 63.87 1nso n PRO 41 Cb 0.39 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.45 1nso n PRO 41 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1nso h ASN 42 N 0.00 0.88 -4.31 3.54 -1.24 -2.05 -3.42 115.58 108.97 1nso h ASN 42 Ca 0.00 -0.01 -0.54 0.00 0.71 0.00 0.00 56.30 56.46 1nso h ASN 42 Cb 0.28 -0.20 -0.28 0.00 0.73 0.00 0.00 38.32 38.85 1nso h ASN 42 CO 0.00 0.61 -0.83 -1.66 -1.29 0.00 0.00 177.43 174.26 1nso s TRP 43 N -6.10 1.58 0.46 0.67 -2.14 -1.20 -5.13 118.94 107.07 1nso s TRP 43 Ca -0.13 -0.32 -0.23 0.00 2.66 0.00 0.00 56.10 58.08 1nso s TRP 43 Cb 0.17 -0.99 -0.07 0.00 -3.10 0.00 0.00 33.47 29.47 1nso s TRP 43 CO 0.79 0.01 1.22 -1.25 -2.66 0.00 0.00 176.95 175.05 1nso s PRO 44 N -0.67 3.73 0.44 3.25 0.04 -1.26 -4.85 135.00 135.68 1nso s PRO 44 Ca 0.06 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.05 1nso s PRO 44 Cb -0.07 -2.47 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 1nso s PRO 44 CO 0.00 -0.62 0.09 0.96 0.04 0.00 0.00 177.00 177.47 1nso s ILE 45 N -1.44 0.80 1.14 0.56 -5.25 -1.26 -5.16 121.20 110.58 1nso s ILE 45 Ca 0.63 -2.00 -0.19 0.00 -0.99 0.00 0.00 60.65 58.10 1nso s ILE 45 Cb -0.32 -2.29 0.28 0.00 2.95 0.00 0.00 42.46 43.07 1nso s ILE 45 CO 0.39 0.00 1.20 0.35 -1.79 0.00 0.00 174.94 175.10 1nso n THR 46 N -1.03 0.00 0.00 8.37 -2.24 -1.26 -4.91 114.28 113.21 1nso n THR 46 Ca -0.10 -0.69 0.00 0.00 -2.27 0.00 0.00 64.05 60.99 1nso n THR 46 Cb 0.66 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 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 -4.47 0.00 -3.66 3.42 2.03 0.86 -3.99 116.55 110.74 1nso n ASP 47 Ca 0.16 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.40 1nso n ASP 47 Cb 0.59 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.91 1nso n ASP 47 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1nso s THR 48 N 0.00 -0.72 0.51 5.18 -4.23 -1.21 -2.52 115.64 112.66 1nso s THR 48 Ca 0.00 0.13 0.05 0.00 -1.18 0.00 0.00 61.69 60.68 1nso s THR 48 Cb 0.00 -0.75 0.01 0.00 1.34 0.00 0.00 72.50 73.11 1nso s THR 48 CO 0.00 0.05 0.29 -0.22 -0.54 0.00 0.00 174.62 174.20 1nso s LEU 49 N 2.66 2.70 -0.23 4.79 2.96 -0.75 -4.82 118.68 125.98 1nso s LEU 49 Ca -0.03 -1.29 -0.03 0.00 -0.22 0.00 0.00 54.13 52.56 1nso s LEU 49 Cb -0.12 -1.16 0.01 0.00 0.50 0.00 0.00 46.19 45.42 1nso s LEU 49 CO -0.14 -0.96 -0.06 0.42 -1.32 0.00 0.00 176.35 174.29 1nso s THR 50 N -2.76 3.10 -0.28 3.68 -4.23 -1.26 0.12 115.64 114.00 1nso s THR 50 Ca 0.29 -0.71 -0.01 0.00 -1.18 0.00 0.00 61.69 60.08 1nso s THR 50 Cb -0.01 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 71.46 1nso s THR 50 CO 0.18 0.35 0.07 0.21 -0.54 0.00 0.00 174.62 174.89 1nso s ASN 51 N 1.41 3.86 -0.75 3.99 3.04 -0.92 -4.68 114.94 120.89 1nso s ASN 51 Ca 0.04 -1.48 -0.26 0.00 0.04 0.00 0.00 52.86 51.20 1nso s ASN 51 Cb -0.15 -0.89 0.00 0.00 -1.54 0.00 0.00 41.25 38.68 1nso s ASN 51 CO -0.04 -0.38 1.60 -0.76 -3.04 0.00 0.00 177.10 174.48 1nso s LEU 52 N 1.60 3.25 -0.00 3.21 2.01 -1.25 -2.12 118.68 125.38 1nso s LEU 52 Ca 0.06 -0.34 -0.00 0.00 0.01 0.00 0.00 54.13 53.87 1nso s LEU 52 Cb -0.17 -2.55 -0.00 0.00 0.01 0.00 0.00 46.19 43.47 1nso s LEU 52 CO -0.20 -2.11 -0.00 0.54 1.01 0.00 0.00 176.35 175.59 1nso n ARG 53 N 9.17 0.00 -0.34 1.70 1.74 0.17 -4.64 116.66 124.46 1nso n ARG 53 Ca 0.18 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.25 1nso n ARG 53 Cb 0.50 -0.59 -0.00 0.00 -1.02 0.00 0.00 32.46 31.35 1nso n ARG 53 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nso n GLY 54 N 3.07 0.62 2.21 -0.13 0.00 -1.26 -2.79 105.19 106.91 1nso n GLY 54 Ca -0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 1nso n GLY 54 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1nso n ILE 55 N 3.61 -0.27 0.00 -0.61 -5.35 -1.26 -3.65 119.36 111.83 1nso n ILE 55 Ca 0.02 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.50 1nso n ILE 55 Cb 0.03 -1.02 0.00 0.00 -1.74 0.00 0.00 39.64 36.90 1nso n ILE 55 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nso n GLY 56 N -0.54 -0.43 3.46 3.28 0.00 -1.12 -5.09 105.19 104.75 1nso n GLY 56 Ca -0.09 0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1nso n GLY 56 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nso s GLN 57 N 0.00 3.13 -0.23 1.61 1.11 -1.24 0.45 119.66 124.49 1nso s GLN 57 Ca 0.00 -0.89 -0.02 0.00 0.01 0.00 0.00 55.36 54.46 1nso s GLN 57 Cb 0.00 -3.82 0.02 0.00 -1.01 0.00 0.00 33.01 28.20 1nso s GLN 57 CO 0.00 -0.61 -0.08 -1.54 0.01 0.00 0.00 175.29 173.07 1nso s SER 58 N 1.65 4.14 0.01 5.90 1.04 -0.90 -4.61 113.70 120.93 1nso s SER 58 Ca 0.05 -0.73 -0.31 0.00 0.48 0.00 0.00 55.95 55.43 1nso s SER 58 Cb -0.18 -1.65 -0.10 0.00 0.10 0.00 0.00 66.02 64.19 1nso s SER 58 CO 0.09 -0.09 1.96 0.59 0.98 0.00 0.00 173.24 176.77 1nso n ASN 59 N 4.69 4.02 -4.74 7.02 4.13 -1.26 -2.17 115.26 126.95 1nso n ASN 59 Ca -0.17 0.91 -0.30 0.00 1.68 0.00 0.00 54.58 56.69 1nso n ASN 59 Cb 0.48 -1.49 0.12 0.00 -1.54 0.00 0.00 39.78 37.35 1nso n ASN 59 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 1nso s ASN 60 N 4.42 3.89 -0.14 6.41 3.04 0.31 -4.77 114.94 128.10 1nso s ASN 60 Ca 0.90 1.62 -0.01 0.00 0.04 0.00 0.00 52.86 55.41 1nso s ASN 60 Cb -0.49 -2.31 -0.02 0.00 -1.54 0.00 0.00 41.25 36.90 1nso s ASN 60 CO 0.44 -2.40 -0.11 -2.16 -3.04 0.00 0.00 177.10 169.84 1nso s PRO 61 N -4.92 3.42 0.01 0.43 0.04 -1.26 -1.81 135.00 130.91 1nso s PRO 61 Ca 0.62 -0.66 -0.05 0.00 0.04 0.00 0.00 61.00 60.95 1nso s PRO 61 Cb -0.18 -2.70 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 1nso s PRO 61 CO 0.57 0.18 0.10 0.15 0.04 0.00 0.00 177.00 178.03 1nso s LYS 62 N 0.46 0.46 -0.17 4.56 1.02 -1.05 -4.68 119.74 120.35 1nso s LYS 62 Ca -0.08 -0.49 -0.09 0.00 0.02 0.00 0.00 55.97 55.32 1nso s LYS 62 Cb -0.15 0.19 0.06 0.00 -0.52 0.00 0.00 37.83 37.40 1nso s LYS 62 CO 0.04 -0.11 0.41 -0.65 -0.92 0.00 0.00 175.35 174.13 1nso s GLN 63 N -1.57 0.39 0.76 1.68 1.11 -1.26 -0.10 119.66 120.67 1nso s GLN 63 Ca -0.14 0.83 -0.15 0.00 0.01 0.00 0.00 55.36 55.91 1nso s GLN 63 Cb -0.07 0.02 0.05 0.00 -1.01 0.00 0.00 33.01 32.00 1nso s GLN 63 CO 0.00 -0.17 1.23 0.45 0.01 0.00 0.00 175.29 176.81 1nso n SER 64 N 4.41 1.36 -0.00 5.90 2.88 -0.84 -4.70 113.62 122.63 1nso n SER 64 Ca -0.21 0.66 0.02 0.00 -1.33 0.00 0.00 58.87 58.01 1nso n SER 64 Cb 0.54 -1.52 -0.03 0.00 -0.75 0.00 0.00 64.21 62.46 1nso n SER 64 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1nso n SER 65 N -2.83 3.86 -2.21 -3.46 2.88 -1.26 -1.41 113.62 109.19 1nso n SER 65 Ca 0.14 -0.05 -0.25 0.00 -1.33 0.00 0.00 58.87 57.38 1nso n SER 65 Cb 0.50 1.14 -0.02 0.00 -0.75 0.00 0.00 64.21 65.08 1nso n SER 65 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1nso n LYS 66 N -1.57 0.00 -3.98 -1.46 2.85 -1.26 -3.73 118.16 109.01 1nso n LYS 66 Ca -0.01 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.03 1nso n LYS 66 Cb 0.08 -0.56 -0.03 0.00 -0.65 0.00 0.00 35.03 33.88 1nso n LYS 66 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 1nso s TYR 67 N -0.39 3.41 -0.09 5.58 -0.85 -1.26 -3.80 117.35 119.95 1nso s TYR 67 Ca 0.35 0.00 -0.01 0.00 -0.52 0.00 0.00 57.07 56.90 1nso s TYR 67 Cb -0.50 -1.57 -0.03 0.00 0.38 0.00 0.00 41.96 40.23 1nso s TYR 67 CO 0.28 0.47 -0.05 -1.17 -1.52 0.00 0.00 175.55 173.56 1nso s LEU 68 N -3.75 3.24 -0.49 -3.49 2.96 -0.49 -4.92 118.68 111.74 1nso s LEU 68 Ca 0.34 -0.03 -0.10 0.00 -0.22 0.00 0.00 54.13 54.12 1nso s LEU 68 Cb -0.09 -1.73 0.12 0.00 0.50 0.00 0.00 46.19 44.99 1nso s LEU 68 CO 0.28 0.32 0.38 0.42 -1.32 0.00 0.00 176.35 176.43 1nso s THR 69 N -0.53 4.39 -0.02 3.68 -4.23 -1.26 -2.67 115.64 115.00 1nso s THR 69 Ca 0.08 -1.76 -0.02 0.00 -1.18 0.00 0.00 61.69 58.81 1nso s THR 69 Cb -0.12 -3.88 -0.04 0.00 1.34 0.00 0.00 72.50 69.81 1nso s THR 69 CO 0.02 -0.80 0.14 0.86 -0.54 0.00 0.00 174.62 174.31 1nso s TRP 70 N 1.38 3.47 -0.20 3.99 -0.00 -0.78 -1.84 118.94 124.97 1nso s TRP 70 Ca 0.05 0.33 -0.28 0.00 -0.00 0.00 0.00 56.10 56.20 1nso s TRP 70 Cb -0.27 -1.81 0.12 0.00 -0.00 0.00 0.00 33.47 31.51 1nso s TRP 70 CO -0.00 0.63 1.00 1.03 -0.00 0.00 0.00 176.95 179.60 1nso s ARG 71 N -1.75 0.58 0.70 5.86 0.52 0.53 -1.59 118.95 123.79 1nso s ARG 71 Ca 0.24 0.31 -0.11 0.00 -0.52 0.00 0.00 55.73 55.65 1nso s ARG 71 Cb -0.12 0.28 0.01 0.00 0.52 0.00 0.00 34.95 35.63 1nso s ARG 71 CO 0.15 -0.15 1.08 -0.51 0.02 0.00 0.00 175.30 175.90 1nso s ASP 72 N -0.64 5.46 0.52 0.23 1.01 0.89 -0.30 116.67 123.85 1nso s ASP 72 Ca -0.00 1.25 0.35 0.00 0.71 0.00 0.00 52.55 54.85 1nso s ASP 72 Cb -0.02 -2.09 1.18 0.00 1.01 0.00 0.00 42.92 43.00 1nso s ASP 72 CO -0.01 -1.35 1.27 2.29 0.21 0.00 0.00 175.17 177.59 1nso n LYS 73 N -3.03 0.01 -0.65 8.23 0.00 -1.26 0.40 118.16 121.86 1nso n LYS 73 Ca 0.07 0.94 -0.07 0.00 -0.00 0.00 0.00 58.31 59.25 1nso n LYS 73 Cb 0.56 -2.25 0.16 0.00 -0.00 0.00 0.00 35.03 33.51 1nso n LYS 73 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1nso n GLU 74 N -3.37 2.38 -3.93 -1.58 0.00 -1.26 -4.88 120.64 107.99 1nso n GLU 74 Ca 0.30 -1.83 -0.27 0.00 0.00 0.00 0.00 57.16 55.37 1nso n GLU 74 Cb 1.59 -1.80 -0.01 0.00 0.00 0.00 0.00 31.44 31.21 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 -0.14 -0.94 -3.85 4.31 0.23 1.33 -4.98 115.26 111.21 1nso n ASN 75 Ca 0.28 -1.02 -0.20 0.00 -0.53 0.00 0.00 54.58 53.11 1nso n ASN 75 Cb 1.05 -3.02 -0.16 0.00 -2.08 0.00 0.00 39.78 35.56 1nso n ASN 75 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1nso s ASN 76 N -4.25 0.91 0.00 0.53 0.02 -1.07 -4.78 114.94 106.30 1nso s ASN 76 Ca 0.07 -0.09 0.00 0.00 -1.02 0.00 0.00 52.86 51.82 1nso s ASN 76 Cb -0.03 -0.39 0.00 0.00 0.02 0.00 0.00 41.25 40.86 1nso s ASN 76 CO 0.89 -0.09 0.00 -0.24 0.02 0.00 0.00 177.10 177.68 1nso n SER 77 N 4.25 0.00 0.00 -1.22 2.88 -1.26 -0.08 113.62 118.20 1nso n SER 77 Ca -0.22 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.32 1nso n SER 77 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 0.00 -0.67 3.49 0.46 0.00 -0.62 -3.67 105.19 104.18 1nso n GLY 78 Ca 0.00 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 1nso n GLY 78 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nso s LEU 79 N 0.00 -0.59 -0.04 0.99 2.96 -1.26 -1.86 118.68 118.87 1nso s LEU 79 Ca 0.00 1.26 -0.29 0.00 -0.22 0.00 0.00 54.13 54.87 1nso s LEU 79 Cb 0.00 1.96 0.07 0.00 0.50 0.00 0.00 46.19 48.72 1nso s LEU 79 CO 0.00 -0.22 0.65 0.27 -1.32 0.00 0.00 176.35 175.73 1nso s ILE 80 N 1.52 0.01 -0.67 6.68 -5.25 -1.09 -4.95 121.20 117.45 1nso s ILE 80 Ca -0.10 -0.04 -0.18 0.00 -0.99 0.00 0.00 60.65 59.34 1nso s ILE 80 Cb -0.06 -0.97 0.13 0.00 2.95 0.00 0.00 42.46 44.51 1nso s ILE 80 CO -0.17 -0.02 0.75 -1.59 -1.79 0.00 0.00 174.94 172.12 1nso s LYS 81 N -1.25 3.21 0.00 0.37 0.00 -1.26 -1.40 119.74 119.41 1nso s LYS 81 Ca -0.11 -1.62 0.00 0.00 0.00 0.00 0.00 55.97 54.24 1nso s LYS 81 Cb -0.00 -4.38 0.00 0.00 0.00 0.00 0.00 37.83 33.44 1nso s LYS 81 CO 0.09 -1.51 0.00 -0.35 0.00 0.00 0.00 175.35 173.58 1nso n PRO 82 N 5.84 0.88 -3.76 1.78 -0.04 -1.24 -4.90 135.00 133.56 1nso n PRO 82 Ca -0.02 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.08 1nso n PRO 82 Cb 0.44 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.77 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 0.10 3.09 -0.36 0.54 0.08 -0.88 -4.26 117.98 116.29 1nso s PHE 83 Ca 0.00 -0.39 -0.13 0.00 0.12 0.00 0.00 56.93 56.53 1nso s PHE 83 Cb 0.00 -2.24 -0.00 0.00 -0.57 0.00 0.00 43.02 40.21 1nso s PHE 83 CO 0.00 -0.34 0.25 0.08 -0.10 0.00 0.00 175.22 175.11 1nso s VAL 84 N 1.59 5.13 0.05 -0.44 1.01 -0.50 -2.01 120.40 125.23 1nso s VAL 84 Ca 0.06 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.66 1nso s VAL 84 Cb -0.15 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1nso s VAL 84 CO 0.04 -0.12 -0.17 -0.63 0.00 0.00 0.00 175.10 174.22 1nso s ILE 85 N 1.68 1.36 -0.11 2.22 1.09 -1.25 -1.98 121.20 124.20 1nso s ILE 85 Ca 0.05 -1.14 -0.05 0.00 -1.10 0.00 0.00 60.65 58.42 1nso s ILE 85 Cb -0.18 -1.21 -0.15 0.00 -1.06 0.00 0.00 42.46 39.86 1nso s ILE 85 CO 0.10 0.05 3.19 -0.81 -0.10 0.00 0.00 174.94 177.37 1nso n PRO 86 N 1.76 1.96 0.00 2.79 -0.05 -1.26 -0.65 135.00 139.55 1nso n PRO 86 Ca -0.18 -1.20 0.00 0.00 -0.05 0.00 0.00 63.50 62.07 1nso n PRO 86 Cb 0.54 -1.90 0.00 0.00 -0.05 0.00 0.00 33.50 32.09 1nso n PRO 86 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1nso n ASN 87 N 1.94 0.58 -2.75 3.54 4.13 -1.26 -4.95 115.26 116.49 1nso n ASN 87 Ca 0.39 -1.20 -0.05 0.00 1.68 0.00 0.00 54.58 55.39 1nso n ASN 87 Cb 0.78 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 39.03 1nso n ASN 87 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1nso n LEU 88 N -0.10 -7.11 -0.64 3.41 7.94 -1.24 -4.83 117.00 114.42 1nso n LEU 88 Ca 0.00 0.36 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 1nso n LEU 88 Cb 0.29 -3.14 0.00 0.00 0.53 0.00 0.00 43.42 41.09 1nso n LEU 88 CO 0.00 -1.87 0.23 -2.65 -1.11 0.00 0.00 177.39 172.00 1nso n PRO 89 N -0.64 0.72 -0.91 1.96 -0.02 -1.26 -4.73 135.00 130.11 1nso n PRO 89 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 1nso n PRO 89 Cb 0.43 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 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 0.28 0.00 -3.17 -1.45 0.31 -1.26 -4.35 118.33 108.69 1nso n VAL 90 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 1nso n VAL 90 Cb 0.23 -0.10 0.02 0.00 -0.91 0.00 0.00 33.84 33.08 1nso n VAL 90 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1nso n ASN 91 N -0.01 -6.68 -4.48 4.52 5.15 -1.26 -4.97 115.26 107.53 1nso n ASN 91 Ca 0.00 0.37 -0.33 0.00 -0.60 0.00 0.00 54.58 54.02 1nso n ASN 91 Cb 0.01 -2.99 -0.13 0.00 -0.53 0.00 0.00 39.78 36.14 1nso n ASN 91 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1nso s LEU 92 N -1.99 3.05 0.61 1.20 2.01 -0.82 -4.91 118.68 117.83 1nso s LEU 92 Ca 0.20 -0.16 -0.09 0.00 0.01 0.00 0.00 54.13 54.09 1nso s LEU 92 Cb -0.03 -1.70 -0.01 0.00 0.01 0.00 0.00 46.19 44.46 1nso s LEU 92 CO 0.62 0.22 0.97 0.86 1.01 0.00 0.00 176.35 180.03 1nso s TRP 93 N 0.02 3.43 0.15 0.29 -0.11 -1.26 -2.20 118.94 119.25 1nso s TRP 93 Ca -0.02 0.95 -0.11 0.00 1.22 0.00 0.00 56.10 58.15 1nso s TRP 93 Cb -0.14 -2.75 -0.07 0.00 -1.50 0.00 0.00 33.47 29.02 1nso s TRP 93 CO 0.03 -0.80 0.49 0.20 -4.62 0.00 0.00 176.95 172.25 1nso s GLY 94 N -4.25 2.35 0.35 5.86 0.00 -1.26 -4.33 107.32 106.03 1nso s GLY 94 Ca 0.54 -0.29 0.12 0.00 0.00 0.00 0.00 44.72 45.09 1nso s GLY 94 CO 0.49 -0.09 1.75 -0.09 0.00 0.00 0.00 173.10 175.16 1nso h ARG 95 N 3.24 0.52 -0.11 2.90 2.43 -1.93 -0.83 114.38 120.60 1nso h ARG 95 Ca -0.48 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 58.68 1nso h ARG 95 Cb 1.18 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 1nso h ARG 95 CO 0.68 0.34 -0.03 -0.44 -1.51 0.00 0.00 179.97 179.01 1nso h ASP 96 N 0.53 -0.11 0.05 -3.80 5.19 -1.93 0.14 116.42 116.49 1nso h ASP 96 Ca 0.62 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 57.07 1nso h ASP 96 Cb 1.30 0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1nso h ASP 96 CO -0.40 -0.04 -0.03 -0.07 -3.12 0.00 0.00 179.24 175.58 1nso h LEU 97 N -0.01 -0.06 0.24 1.55 3.38 -1.46 -2.83 115.31 116.12 1nso h LEU 97 Ca 0.06 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1nso h LEU 97 Cb 0.09 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1nso h LEU 97 CO -0.12 0.06 -0.16 -0.07 0.09 0.00 0.00 178.44 178.24 1nso h LEU 98 N -0.18 -0.41 -0.77 1.67 -0.00 -1.26 0.18 115.31 114.54 1nso h LEU 98 Ca -0.01 0.03 0.12 0.00 -0.00 0.00 0.00 57.88 58.02 1nso h LEU 98 Cb 0.16 0.13 -0.13 0.00 -0.00 0.00 0.00 40.66 40.81 1nso h LEU 98 CO 0.01 -0.26 -0.39 -1.28 -0.00 0.00 0.00 178.44 176.53 1nso h SER 99 N -0.39 -1.39 -0.06 -0.43 0.87 -0.70 0.30 113.55 111.74 1nso h SER 99 Ca -0.02 0.27 -0.17 0.00 -1.23 0.00 0.00 61.79 60.64 1nso h SER 99 Cb 0.34 0.69 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1nso h SER 99 CO 0.01 -0.30 -0.56 1.56 -0.53 0.00 0.00 176.83 177.01 1nso h GLN 100 N -0.11 0.65 -0.15 2.24 4.20 -1.39 0.10 115.11 120.65 1nso h GLN 100 Ca 0.26 -0.42 0.02 0.00 0.06 0.00 0.00 58.65 58.57 1nso h GLN 100 Cb 0.56 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1nso h GLN 100 CO -0.81 1.03 -0.13 1.98 -0.67 0.00 0.00 178.83 180.23 1nso h MET 101 N 0.50 -0.05 0.00 1.46 4.05 0.15 -3.41 114.93 117.64 1nso h MET 101 Ca 0.01 0.00 -0.13 0.00 -0.28 0.00 0.00 59.70 59.30 1nso h MET 101 Cb 1.12 0.01 -0.14 0.00 -0.80 0.00 0.00 31.60 31.79 1nso h MET 101 CO 0.11 -0.03 -0.32 1.17 0.23 0.00 0.00 176.91 178.06 1nso n LYS 102 N -3.41 0.00 -0.01 0.39 3.00 -1.03 -4.86 118.16 112.24 1nso n LYS 102 Ca -0.00 -1.03 -0.01 0.00 -0.00 0.00 0.00 58.31 57.26 1nso n LYS 102 Cb 0.07 0.46 -0.00 0.00 0.00 0.00 0.00 35.03 35.55 1nso n LYS 102 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1nso n ILE 103 N 0.03 0.25 -2.09 3.15 5.41 -0.82 -4.96 119.36 120.33 1nso n ILE 103 Ca -0.25 0.42 -0.42 0.00 1.00 0.00 0.00 62.75 63.50 1nso n ILE 103 Cb 0.72 -1.61 -0.03 0.00 -0.71 0.00 0.00 39.64 38.01 1nso n ILE 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1nso s MET 104 N -1.31 4.30 -0.86 0.38 0.23 0.29 -4.85 119.30 117.48 1nso s MET 104 Ca -0.05 2.19 -0.25 0.00 -1.03 0.00 0.00 55.69 56.56 1nso s MET 104 Cb 0.01 -3.18 -0.17 0.00 -1.53 0.00 0.00 34.83 29.95 1nso s MET 104 CO 0.07 -0.43 2.31 0.00 -2.03 0.00 0.00 175.02 174.93 1nso n MET 105 N 3.28 0.41 -3.41 3.16 0.00 -1.26 -4.87 117.12 114.43 1nso n MET 105 Ca 0.10 -1.01 -0.44 0.00 0.00 0.00 0.00 57.70 56.35 1nso n MET 105 Cb 0.41 -3.59 -0.08 0.00 0.00 0.00 0.00 33.22 29.97 1nso n MET 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1nso s ALA 106 N 14.56 3.54 0.00 3.17 0.00 -1.26 -5.23 121.76 136.54 1nso s ALA 106 Ca 0.91 -2.13 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1nso s ALA 106 Cb -0.14 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 19.94 1nso s ALA 106 CO 0.13 -1.73 0.00 -1.13 0.00 0.00 0.00 175.76 173.03