#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 3.31 -0.33 -1.67 -7.23 -1.26 -4.71 120.40 108.50 1nso s VAL 2 Ca 0.00 1.32 -0.00 0.00 -1.81 0.00 0.00 61.98 61.49 1nso s VAL 2 Cb 0.00 -3.84 0.14 0.00 0.56 0.00 0.00 36.38 33.24 1nso s VAL 2 CO 0.00 0.32 0.26 -1.58 -0.31 0.00 0.00 175.10 173.79 1nso s GLN 3 N -1.53 0.45 -0.97 4.82 2.00 -1.24 -5.05 119.66 118.15 1nso s GLN 3 Ca 0.45 -0.75 -0.24 0.00 -2.00 0.00 0.00 55.36 52.82 1nso s GLN 3 Cb -0.34 -0.95 0.01 0.00 0.80 0.00 0.00 33.01 32.53 1nso s GLN 3 CO 0.44 -1.13 1.65 -1.25 -0.50 0.00 0.00 175.29 174.50 1nso s PRO 4 N 1.69 3.18 0.36 1.67 0.04 -1.26 -4.01 135.00 136.66 1nso s PRO 4 Ca 0.14 -0.79 -0.25 0.00 0.04 0.00 0.00 61.00 60.14 1nso s PRO 4 Cb -0.17 -5.24 -0.09 0.00 0.04 0.00 0.00 34.50 29.04 1nso s PRO 4 CO -0.16 -2.67 1.03 -1.50 0.04 0.00 0.00 177.00 173.74 1nso s ILE 5 N 7.00 3.81 0.25 0.56 -1.16 -1.26 -5.06 121.20 125.34 1nso s ILE 5 Ca 0.55 1.47 0.09 0.00 -0.51 0.00 0.00 60.65 62.26 1nso s ILE 5 Cb -0.03 -3.80 -0.04 0.00 0.61 0.00 0.00 42.46 39.20 1nso s ILE 5 CO -0.06 0.09 0.02 0.42 -2.81 0.00 0.00 174.94 172.60 1nso s THR 6 N -1.58 3.60 0.35 4.00 -4.23 -1.26 -5.04 115.64 111.48 1nso s THR 6 Ca 0.54 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.28 1nso s THR 6 Cb -0.23 -2.91 0.00 0.00 1.34 0.00 0.00 72.50 70.71 1nso s THR 6 CO 0.29 -0.32 0.00 0.00 -0.54 0.00 0.00 174.62 174.04 1nso n ALA 7 N -0.78 -2.97 -2.86 3.99 0.00 -1.26 -4.63 120.51 112.00 1nso n ALA 7 Ca -0.07 0.49 -0.44 0.00 0.00 0.00 0.00 53.44 53.42 1nso n ALA 7 Cb 0.58 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.87 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 -2.67 3.12 0.02 0.00 1.11 -1.26 -5.01 119.66 114.97 1nso s GLN 8 Ca 0.00 -0.95 -0.08 0.00 0.01 0.00 0.00 55.36 54.34 1nso s GLN 8 Cb 0.00 -4.15 0.00 0.00 -1.01 0.00 0.00 33.01 27.85 1nso s GLN 8 CO 0.00 -1.40 0.16 0.15 0.01 0.00 0.00 175.29 174.21 1nso s LYS 9 N 2.91 0.57 -0.33 2.91 1.02 -1.26 -5.05 119.74 120.51 1nso s LYS 9 Ca 0.16 -0.51 -0.05 0.00 0.02 0.00 0.00 55.97 55.59 1nso s LYS 9 Cb -0.20 0.24 -0.16 0.00 -0.52 0.00 0.00 37.83 37.18 1nso s LYS 9 CO 0.11 -0.15 2.72 -0.35 -0.92 0.00 0.00 175.35 176.76 1nso n PRO 10 N 1.12 1.83 -3.62 -1.68 -0.04 -1.21 -4.01 135.00 127.39 1nso n PRO 10 Ca -0.21 -1.02 -0.06 0.00 -0.04 0.00 0.00 63.50 62.16 1nso n PRO 10 Cb 0.57 -2.07 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 1nso n PRO 10 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1nso s SER 11 N 2.44 -0.45 -0.29 3.54 0.15 -1.25 -3.93 113.70 113.91 1nso s SER 11 Ca 0.50 1.07 -0.14 0.00 0.70 0.00 0.00 55.95 58.08 1nso s SER 11 Cb 0.21 1.57 0.12 0.00 -1.71 0.00 0.00 66.02 66.21 1nso s SER 11 CO -0.01 -0.23 0.78 -0.22 1.20 0.00 0.00 173.24 174.75 1nso s LEU 12 N 2.68 -0.87 -0.37 3.45 0.20 -0.93 -4.82 118.68 118.03 1nso s LEU 12 Ca -0.01 1.29 -0.19 0.00 0.69 0.00 0.00 54.13 55.90 1nso s LEU 12 Cb -0.12 2.13 0.00 0.00 -0.43 0.00 0.00 46.19 47.77 1nso s LEU 12 CO -0.15 -0.19 0.58 -0.89 -0.29 0.00 0.00 176.35 175.42 1nso s THR 13 N 2.09 4.94 0.26 3.68 2.01 -1.26 -1.74 115.64 125.62 1nso s THR 13 Ca -0.07 0.41 0.02 0.00 0.31 0.00 0.00 61.69 62.35 1nso s THR 13 Cb -0.07 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1nso s THR 13 CO -0.18 -0.32 0.16 -0.76 -0.69 0.00 0.00 174.62 172.83 1nso s LEU 14 N 2.59 1.49 0.04 4.42 1.43 0.23 -3.62 118.68 125.27 1nso s LEU 14 Ca 0.22 -1.50 0.01 0.00 -1.03 0.00 0.00 54.13 51.83 1nso s LEU 14 Cb -0.15 0.28 -0.04 0.00 0.03 0.00 0.00 46.19 46.32 1nso s LEU 14 CO 0.15 -0.87 0.10 -1.66 0.23 0.00 0.00 176.35 174.30 1nso s TRP 15 N -3.80 3.28 0.01 0.29 1.48 0.19 0.01 118.94 120.40 1nso s TRP 15 Ca 0.38 0.16 -0.06 0.00 -1.06 0.00 0.00 56.10 55.52 1nso s TRP 15 Cb 0.06 -1.69 -0.00 0.00 -1.16 0.00 0.00 33.47 30.67 1nso s TRP 15 CO 0.16 0.55 0.11 -0.48 -4.06 0.00 0.00 176.95 173.23 1nso s LEU 16 N -2.15 1.69 -0.65 -4.66 2.34 0.56 -1.18 118.68 114.64 1nso s LEU 16 Ca 0.28 -0.31 0.00 0.00 0.06 0.00 0.00 54.13 54.15 1nso s LEU 16 Cb -0.12 0.59 0.00 0.00 -0.56 0.00 0.00 46.19 46.10 1nso s LEU 16 CO 0.20 -0.39 0.00 0.47 -1.06 0.00 0.00 176.35 175.56 1nso n ASP 17 N 1.32 -2.62 -1.61 1.48 9.92 -1.10 -0.59 116.55 123.34 1nso n ASP 17 Ca -0.22 0.30 -0.05 0.00 -0.53 0.00 0.00 54.79 54.29 1nso n ASP 17 Cb 0.56 -2.33 0.02 0.00 -0.64 0.00 0.00 41.12 38.73 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 -1.43 -2.26 -3.58 -2.24 8.00 -1.26 -5.06 116.55 108.72 1nso n ASP 18 Ca -0.09 -0.17 -0.01 0.00 0.71 0.00 0.00 54.79 55.23 1nso n ASP 18 Cb 0.52 -1.78 -0.06 0.00 -0.02 0.00 0.00 41.12 39.78 1nso n ASP 18 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1nso s LYS 19 N -4.58 0.38 -0.05 -1.24 -2.85 0.24 -5.14 119.74 106.51 1nso s LYS 19 Ca 0.03 0.74 -0.30 0.00 -1.00 0.00 0.00 55.97 55.44 1nso s LYS 19 Cb -0.01 0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 35.92 1nso s LYS 19 CO 0.20 -0.09 1.38 -1.64 0.10 0.00 0.00 175.35 175.30 1nso s MET 20 N 1.72 4.27 0.35 1.78 -1.94 -1.26 -0.32 119.30 123.89 1nso s MET 20 Ca -0.07 1.90 0.05 0.00 -1.71 0.00 0.00 55.69 55.85 1nso s MET 20 Cb -0.05 -3.67 -0.02 0.00 2.01 0.00 0.00 34.83 33.11 1nso s MET 20 CO -0.16 -0.62 0.36 0.12 -0.01 0.00 0.00 175.02 174.71 1nso s PHE 21 N 2.82 1.56 0.20 -0.03 5.36 0.10 -4.62 117.98 123.37 1nso s PHE 21 Ca 0.62 -1.56 0.08 0.00 -0.96 0.00 0.00 56.93 55.11 1nso s PHE 21 Cb -0.29 -0.50 -0.04 0.00 -0.34 0.00 0.00 43.02 41.85 1nso s PHE 21 CO 0.24 -0.99 0.00 0.99 -1.46 0.00 0.00 175.22 174.00 1nso s THR 22 N -3.21 3.67 0.29 0.12 2.01 -1.26 -0.60 115.64 116.66 1nso s THR 22 Ca 0.37 -1.54 -0.04 0.00 0.31 0.00 0.00 61.69 60.80 1nso s THR 22 Cb 0.01 -2.88 -0.01 0.00 0.01 0.00 0.00 72.50 69.63 1nso s THR 22 CO 0.26 -0.18 0.39 -0.83 -0.69 0.00 0.00 174.62 173.58 1nso s GLY 23 N -3.14 1.34 -0.31 4.40 0.00 -0.71 -4.94 107.32 103.96 1nso s GLY 23 Ca 0.28 -1.46 -0.05 0.00 0.00 0.00 0.00 44.72 43.50 1nso s GLY 23 CO 0.19 -1.03 0.05 0.48 0.00 0.00 0.00 173.10 172.79 1nso s LEU 24 N -3.19 3.99 -0.05 0.66 -0.00 -1.26 -2.19 118.68 116.65 1nso s LEU 24 Ca 0.31 -1.06 -0.30 0.00 -0.00 0.00 0.00 54.13 53.08 1nso s LEU 24 Cb 0.01 -1.81 -0.04 0.00 -0.00 0.00 0.00 46.19 44.36 1nso s LEU 24 CO 0.17 -0.26 1.22 -0.63 -0.00 0.00 0.00 176.35 176.85 1nso s ILE 25 N 1.37 4.19 -0.30 1.48 -1.09 -1.25 -4.75 121.20 120.85 1nso s ILE 25 Ca -0.02 1.52 0.01 0.00 -2.23 0.00 0.00 60.65 59.94 1nso s ILE 25 Cb -0.19 -3.98 0.09 0.00 -1.58 0.00 0.00 42.46 36.80 1nso s ILE 25 CO 0.01 0.00 0.04 0.54 -1.23 0.00 0.00 174.94 174.30 1nso s ASN 26 N 1.52 4.20 0.65 3.58 2.20 -1.26 -3.28 114.94 122.54 1nso s ASN 26 Ca 0.57 -1.67 0.33 0.00 -0.94 0.00 0.00 52.86 51.15 1nso s ASN 26 Cb -0.26 -1.19 1.81 0.00 -2.00 0.00 0.00 41.25 39.61 1nso s ASN 26 CO 0.23 -0.35 2.05 0.00 -2.94 0.00 0.00 177.10 176.08 1nso h THR 27 N 6.58 0.10 -1.44 0.54 1.03 -1.96 -1.36 112.91 116.39 1nso h THR 27 Ca -0.12 0.00 -0.63 0.00 -0.01 0.00 0.00 66.41 65.65 1nso h THR 27 Cb 1.03 0.77 -0.38 0.00 -1.07 0.00 0.00 68.15 68.50 1nso h THR 27 CO 0.47 0.00 -0.22 0.61 -0.01 0.00 0.00 175.52 176.37 1nso n GLY 28 N -1.24 5.96 3.63 2.99 0.00 -1.26 -4.95 105.19 110.32 1nso n GLY 28 Ca -0.01 -2.65 -0.40 0.00 0.00 0.00 0.00 46.02 42.96 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 -3.69 3.60 0.00 4.61 0.00 -0.52 -4.88 121.76 120.88 1nso s ALA 29 Ca 0.51 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.04 1nso s ALA 29 Cb 0.42 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.54 1nso s ALA 29 CO -0.18 -0.76 0.31 -3.47 0.00 0.00 0.00 175.76 171.65 1nso n ASP 30 N 5.59 0.55 -3.80 0.00 2.03 -1.26 0.16 116.55 119.81 1nso n ASP 30 Ca -0.01 -1.06 -0.30 0.00 0.52 0.00 0.00 54.79 53.94 1nso n ASP 30 Cb 0.49 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.74 1nso n ASP 30 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1nso s VAL 31 N -0.06 1.16 -0.63 5.18 0.11 -1.26 -4.90 120.40 119.99 1nso s VAL 31 Ca 0.00 -1.53 -0.27 0.00 -2.93 0.00 0.00 61.98 57.25 1nso s VAL 31 Cb 0.00 -1.84 0.01 0.00 -1.53 0.00 0.00 36.38 33.03 1nso s VAL 31 CO 0.00 -0.61 1.45 0.42 -3.33 0.00 0.00 175.10 173.03 1nso s THR 32 N 1.48 3.68 -0.03 5.04 -4.23 -1.26 -4.20 115.64 116.13 1nso s THR 32 Ca 0.09 0.49 0.02 0.00 -1.18 0.00 0.00 61.69 61.11 1nso s THR 32 Cb -0.18 -4.51 0.01 0.00 1.34 0.00 0.00 72.50 69.15 1nso s THR 32 CO -0.20 -1.36 -0.09 -0.63 -0.54 0.00 0.00 174.62 171.79 1nso s ILE 33 N 6.52 0.83 -0.16 2.99 -1.09 0.11 -0.90 121.20 129.50 1nso s ILE 33 Ca 0.49 -0.37 -0.03 0.00 -2.23 0.00 0.00 60.65 58.51 1nso s ILE 33 Cb -0.10 -0.75 0.05 0.00 -1.58 0.00 0.00 42.46 40.08 1nso s ILE 33 CO 0.21 0.26 0.04 -0.51 -1.23 0.00 0.00 174.94 173.71 1nso s ILE 34 N 0.30 0.38 0.99 2.92 1.10 -0.23 -0.94 121.20 125.73 1nso s ILE 34 Ca -0.05 -0.33 -0.17 0.00 -0.51 0.00 0.00 60.65 59.59 1nso s ILE 34 Cb -0.10 -0.83 -0.06 0.00 0.15 0.00 0.00 42.46 41.61 1nso s ILE 34 CO 0.01 -0.11 -0.39 2.29 -2.11 0.00 0.00 174.94 174.63 1nso n LYS 35 N 5.11 -0.26 0.14 3.50 0.00 -1.26 -3.42 118.16 121.96 1nso n LYS 35 Ca -0.08 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.31 58.16 1nso n LYS 35 Cb 0.48 -1.37 0.16 0.00 -0.00 0.00 0.00 35.03 34.30 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 -1.31 0.00 -2.54 -5.58 6.46 -1.71 -3.04 115.31 107.60 1nso h LEU 36 Ca -0.44 0.00 0.01 0.00 -0.12 0.00 0.00 57.88 57.33 1nso h LEU 36 Cb 1.31 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.24 1nso h LEU 36 CO 0.28 0.62 0.13 1.05 -0.62 0.00 0.00 178.44 179.90 1nso h GLU 37 N 0.00 0.00 0.00 1.25 4.11 -1.90 0.16 114.58 118.20 1nso h GLU 37 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1nso h GLU 37 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1nso h GLU 37 CO 0.08 0.00 -1.17 -3.47 0.07 0.00 0.00 179.01 174.52 1nso n ASP 38 N -3.26 0.60 -4.77 3.06 2.03 -1.15 -4.95 116.55 108.12 1nso n ASP 38 Ca -0.02 -0.38 -0.38 0.00 0.52 0.00 0.00 54.79 54.53 1nso n ASP 38 Cb 0.20 1.03 -0.02 0.00 -0.72 0.00 0.00 41.12 41.62 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 -3.20 3.00 0.01 -0.67 -0.00 0.55 -4.98 118.94 113.64 1nso s TRP 39 Ca 0.03 1.53 -0.30 0.00 -0.00 0.00 0.00 56.10 57.36 1nso s TRP 39 Cb 0.15 -3.43 -0.05 0.00 -0.00 0.00 0.00 33.47 30.14 1nso s TRP 39 CO 0.83 -1.47 1.26 -2.14 -0.00 0.00 0.00 176.95 175.44 1nso s PRO 40 N -2.36 4.36 0.00 5.86 0.02 -1.26 -4.91 135.00 136.71 1nso s PRO 40 Ca 0.58 1.81 0.24 0.00 0.02 0.00 0.00 61.00 63.65 1nso s PRO 40 Cb -0.31 -3.47 1.40 0.00 0.02 0.00 0.00 34.50 32.13 1nso s PRO 40 CO 0.39 -0.42 1.82 -0.35 -0.33 0.00 0.00 177.00 178.12 1nso n PRO 41 N 4.75 0.65 -0.25 5.54 -0.04 -1.26 -3.47 135.00 140.92 1nso n PRO 41 Ca 0.11 0.02 -0.04 0.00 -0.04 0.00 0.00 63.50 63.55 1nso n PRO 41 Cb 0.45 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.53 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 1.00 -3.80 3.54 -1.24 -2.04 -3.44 115.58 109.61 1nso h ASN 42 Ca 0.00 -0.13 -0.46 0.00 0.71 0.00 0.00 56.30 56.41 1nso h ASN 42 Cb 0.06 -0.26 -0.18 0.00 0.73 0.00 0.00 38.32 38.67 1nso h ASN 42 CO 0.00 0.87 -0.77 -1.66 -1.29 0.00 0.00 177.43 174.59 1nso s TRP 43 N -5.55 1.60 0.84 0.67 -2.14 -1.23 -5.15 118.94 107.97 1nso s TRP 43 Ca -0.12 -0.52 -0.12 0.00 2.66 0.00 0.00 56.10 58.01 1nso s TRP 43 Cb 0.16 -0.81 0.09 0.00 -3.10 0.00 0.00 33.47 29.81 1nso s TRP 43 CO 0.82 0.23 1.10 -2.14 -2.66 0.00 0.00 176.95 174.31 1nso s PRO 44 N -2.78 1.76 0.36 3.25 0.02 -1.26 -4.88 135.00 131.45 1nso s PRO 44 Ca 0.13 0.62 0.05 0.00 0.02 0.00 0.00 61.00 61.82 1nso s PRO 44 Cb -0.05 -1.88 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 1nso s PRO 44 CO 0.05 -1.84 0.20 0.96 -0.33 0.00 0.00 177.00 176.04 1nso s ILE 45 N -3.13 0.26 1.31 2.83 -5.25 -1.26 -5.06 121.20 110.89 1nso s ILE 45 Ca 0.62 -2.00 -0.22 0.00 -0.99 0.00 0.00 60.65 58.06 1nso s ILE 45 Cb -0.15 -2.43 0.33 0.00 2.95 0.00 0.00 42.46 43.16 1nso s ILE 45 CO 0.55 0.00 0.99 0.35 -1.79 0.00 0.00 174.94 175.04 1nso n THR 46 N -0.72 0.00 0.00 8.37 -2.24 -1.26 -4.93 114.28 113.49 1nso n THR 46 Ca 0.01 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1nso n THR 46 Cb 0.64 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 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 -5.22 0.00 -3.93 3.42 -0.08 0.48 -4.43 116.55 106.79 1nso n ASP 47 Ca 0.14 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.12 1nso n ASP 47 Cb 0.58 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.90 1nso n ASP 47 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1nso s THR 48 N 0.00 2.15 0.70 5.18 2.01 -1.25 -1.90 115.64 122.53 1nso s THR 48 Ca 0.00 -2.66 0.01 0.00 0.31 0.00 0.00 61.69 59.35 1nso s THR 48 Cb 0.00 -2.54 0.13 0.00 0.01 0.00 0.00 72.50 70.09 1nso s THR 48 CO 0.00 -0.72 0.97 -0.22 -0.69 0.00 0.00 174.62 173.95 1nso s LEU 49 N 0.43 2.98 -0.11 4.42 0.20 0.23 -4.19 118.68 122.64 1nso s LEU 49 Ca 0.14 -0.51 0.00 0.00 0.69 0.00 0.00 54.13 54.45 1nso s LEU 49 Cb -0.22 -1.82 -0.02 0.00 -0.43 0.00 0.00 46.19 43.70 1nso s LEU 49 CO -0.05 -1.81 -0.12 0.42 -0.29 0.00 0.00 176.35 174.50 1nso s THR 50 N -3.06 3.21 -0.53 3.68 -4.23 -1.26 -1.25 115.64 112.19 1nso s THR 50 Ca 0.66 -0.62 0.04 0.00 -1.18 0.00 0.00 61.69 60.59 1nso s THR 50 Cb -0.05 -2.34 0.17 0.00 1.34 0.00 0.00 72.50 71.62 1nso s THR 50 CO 0.44 0.54 0.39 0.21 -0.54 0.00 0.00 174.62 175.66 1nso s ASN 51 N 0.06 3.05 -0.19 3.99 3.84 -0.64 -4.53 114.94 120.52 1nso s ASN 51 Ca -0.04 -3.34 -0.17 0.00 0.21 0.00 0.00 52.86 49.51 1nso s ASN 51 Cb -0.14 -0.98 -0.04 0.00 -0.55 0.00 0.00 41.25 39.54 1nso s ASN 51 CO 0.04 -0.14 0.47 -0.76 -2.79 0.00 0.00 177.10 173.91 1nso s LEU 52 N -0.53 4.17 -0.02 3.21 1.02 -1.21 -0.32 118.68 125.00 1nso s LEU 52 Ca 0.28 0.64 0.08 0.00 0.02 0.00 0.00 54.13 55.15 1nso s LEU 52 Cb -0.02 -2.64 0.27 0.00 0.02 0.00 0.00 46.19 43.82 1nso s LEU 52 CO -0.16 -0.11 1.16 0.54 0.02 0.00 0.00 176.35 177.79 1nso n ARG 53 N 4.49 1.88 0.00 1.70 5.12 -0.96 -4.84 116.66 124.05 1nso n ARG 53 Ca -0.06 -1.09 0.00 0.00 -1.93 0.00 0.00 57.85 54.77 1nso n ARG 53 Cb 0.51 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 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 0.79 1.21 0.00 -0.13 0.00 -1.26 -2.87 105.19 102.93 1nso n GLY 54 Ca 0.10 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 0.00 -2.94 -0.61 -5.35 -1.26 -4.54 119.36 104.66 1nso n ILE 55 Ca 0.00 -0.24 -0.26 0.00 -0.27 0.00 0.00 62.75 61.98 1nso n ILE 55 Cb 0.00 0.56 -0.04 0.00 -1.74 0.00 0.00 39.64 38.43 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 1.44 5.37 3.50 3.28 0.00 -1.14 -5.05 105.19 112.59 1nso n GLY 56 Ca 0.00 -2.64 -0.41 0.00 0.00 0.00 0.00 46.02 42.97 1nso n GLY 56 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nso n GLN 57 N -0.20 0.38 -4.31 1.61 6.02 -1.26 -2.26 117.38 117.36 1nso n GLN 57 Ca 0.31 0.01 -0.29 0.00 -0.01 0.00 0.00 57.00 57.02 1nso n GLN 57 Cb 0.44 -2.16 -0.05 0.00 1.02 0.00 0.00 30.24 29.49 1nso n GLN 57 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1nso s SER 58 N 9.81 4.37 0.15 1.08 0.01 0.57 -4.86 113.70 124.83 1nso s SER 58 Ca 1.22 -1.40 0.09 0.00 1.31 0.00 0.00 55.95 57.18 1nso s SER 58 Cb -0.91 0.32 -0.04 0.00 0.21 0.00 0.00 66.02 65.60 1nso s SER 58 CO 0.43 -0.90 -0.22 0.20 0.41 0.00 0.00 173.24 173.15 1nso s ASN 59 N -4.04 2.90 0.44 2.44 -0.87 -1.22 -1.63 114.94 112.96 1nso s ASN 59 Ca 0.23 -0.80 0.03 0.00 -1.57 0.00 0.00 52.86 50.75 1nso s ASN 59 Cb 0.01 -0.18 -0.01 0.00 -0.02 0.00 0.00 41.25 41.04 1nso s ASN 59 CO 0.14 0.06 0.11 0.59 -2.57 0.00 0.00 177.10 175.42 1nso n ASN 60 N 0.61 1.87 -4.52 -1.22 4.13 -0.38 -4.52 115.26 111.22 1nso n ASN 60 Ca -0.16 -3.21 -0.38 0.00 1.68 0.00 0.00 54.58 52.52 1nso n ASN 60 Cb 0.55 0.85 -0.12 0.00 -1.54 0.00 0.00 39.78 39.52 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 -3.65 3.78 -0.08 3.52 0.04 -1.26 0.77 135.00 138.11 1nso s PRO 61 Ca 0.15 -0.42 -0.30 0.00 0.04 0.00 0.00 61.00 60.47 1nso s PRO 61 Cb 0.01 -3.53 -0.02 0.00 0.04 0.00 0.00 34.50 30.99 1nso s PRO 61 CO 0.11 -0.21 1.14 0.15 0.04 0.00 0.00 177.00 178.23 1nso s LYS 62 N 1.69 4.36 -0.05 4.56 1.02 -0.80 -4.23 119.74 126.30 1nso s LYS 62 Ca 0.07 1.58 -0.19 0.00 0.02 0.00 0.00 55.97 57.44 1nso s LYS 62 Cb -0.16 -3.57 -0.05 0.00 -0.52 0.00 0.00 37.83 33.54 1nso s LYS 62 CO 0.08 -0.43 0.54 -0.65 -0.92 0.00 0.00 175.35 173.97 1nso s GLN 63 N 2.25 4.28 0.61 1.68 -1.52 -1.26 0.18 119.66 125.88 1nso s GLN 63 Ca 0.53 0.61 -0.14 0.00 -1.95 0.00 0.00 55.36 54.41 1nso s GLN 63 Cb -0.22 -3.37 -0.12 0.00 -0.22 0.00 0.00 33.01 29.08 1nso s GLN 63 CO 0.20 0.32 -0.38 0.45 -0.25 0.00 0.00 175.29 175.62 1nso n SER 64 N 3.00 -3.91 -0.00 5.90 2.88 -0.47 -4.19 113.62 116.82 1nso n SER 64 Ca -0.07 0.33 0.05 0.00 -1.33 0.00 0.00 58.87 57.84 1nso n SER 64 Cb 0.51 -0.64 -0.07 0.00 -0.75 0.00 0.00 64.21 63.26 1nso n SER 64 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1nso n SER 65 N 2.41 2.61 -2.58 -3.46 7.64 -1.26 -1.82 113.62 117.15 1nso n SER 65 Ca 0.02 -0.07 -0.33 0.00 1.01 0.00 0.00 58.87 59.50 1nso n SER 65 Cb 0.41 1.39 -0.04 0.00 -1.01 0.00 0.00 64.21 64.96 1nso n SER 65 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1nso n LYS 66 N -1.77 0.00 -3.75 1.43 -0.00 -1.26 -3.67 118.16 109.14 1nso n LYS 66 Ca -0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 57.95 1nso n LYS 66 Cb 0.24 -0.84 -0.05 0.00 -0.00 0.00 0.00 35.03 34.37 1nso n LYS 66 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 1nso s TYR 67 N -0.04 3.57 -0.01 5.58 -0.85 -1.26 -3.86 117.35 120.48 1nso s TYR 67 Ca 0.51 0.57 -0.02 0.00 -0.52 0.00 0.00 57.07 57.61 1nso s TYR 67 Cb -0.72 -1.99 -0.04 0.00 0.38 0.00 0.00 41.96 39.59 1nso s TYR 67 CO 0.33 0.59 0.15 -1.17 -1.52 0.00 0.00 175.55 173.93 1nso s LEU 68 N -1.88 4.23 -0.46 -3.49 2.96 -0.85 -4.89 118.68 114.31 1nso s LEU 68 Ca 0.29 0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 54.43 1nso s LEU 68 Cb -0.13 -2.50 0.12 0.00 0.50 0.00 0.00 46.19 44.18 1nso s LEU 68 CO 0.17 0.27 0.30 0.42 -1.32 0.00 0.00 176.35 176.19 1nso s THR 69 N -1.28 3.86 -0.09 3.68 -4.23 -1.26 -2.62 115.64 113.70 1nso s THR 69 Ca 0.26 -1.93 -0.01 0.00 -1.18 0.00 0.00 61.69 58.82 1nso s THR 69 Cb -0.12 -3.58 -0.03 0.00 1.34 0.00 0.00 72.50 70.11 1nso s THR 69 CO 0.17 -0.75 -0.02 0.86 -0.54 0.00 0.00 174.62 174.34 1nso s TRP 70 N 1.22 3.10 -0.15 3.99 -0.00 -0.64 -2.71 118.94 123.75 1nso s TRP 70 Ca 0.07 0.12 -0.32 0.00 -0.00 0.00 0.00 56.10 55.97 1nso s TRP 70 Cb -0.25 -1.79 0.13 0.00 -0.00 0.00 0.00 33.47 31.57 1nso s TRP 70 CO -0.02 0.40 1.10 -0.98 -0.00 0.00 0.00 176.95 177.45 1nso s ARG 71 N -0.75 0.46 0.59 5.86 3.03 -0.32 -1.01 118.95 126.81 1nso s ARG 71 Ca 0.12 -0.07 -0.14 0.00 2.03 0.00 0.00 55.73 57.67 1nso s ARG 71 Cb -0.11 0.21 -0.05 0.00 -1.03 0.00 0.00 34.95 33.97 1nso s ARG 71 CO 0.02 -0.18 1.02 0.16 -1.13 0.00 0.00 175.30 175.19 1nso s ASP 72 N -1.81 6.23 0.27 -2.89 1.47 -0.31 -0.64 116.67 118.99 1nso s ASP 72 Ca 0.05 1.54 0.22 0.00 1.18 0.00 0.00 52.55 55.54 1nso s ASP 72 Cb -0.01 -2.49 0.89 0.00 -0.34 0.00 0.00 42.92 40.97 1nso s ASP 72 CO -0.04 -0.86 0.88 2.29 0.68 0.00 0.00 175.17 178.11 1nso n LYS 73 N -2.29 -0.01 0.00 2.11 0.00 -1.26 0.33 118.16 117.03 1nso n LYS 73 Ca 0.07 0.67 0.00 0.00 -0.00 0.00 0.00 58.31 59.05 1nso n LYS 73 Cb 0.54 -1.40 0.00 0.00 -0.00 0.00 0.00 35.03 34.17 1nso n LYS 73 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1nso n GLU 74 N -3.55 0.83 -3.57 -1.58 1.02 -1.26 -4.84 120.64 107.69 1nso n GLU 74 Ca 0.24 0.00 -0.19 0.00 -0.02 0.00 0.00 57.16 57.18 1nso n GLU 74 Cb 0.97 -1.15 0.06 0.00 -0.02 0.00 0.00 31.44 31.31 1nso n GLU 74 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1nso n ASN 75 N -0.29 -1.83 -3.70 1.62 5.15 0.98 -5.01 115.26 112.18 1nso n ASN 75 Ca 0.00 -0.71 -0.12 0.00 -0.60 0.00 0.00 54.58 53.15 1nso n ASN 75 Cb 0.07 -4.61 -0.10 0.00 -0.53 0.00 0.00 39.78 34.61 1nso n ASN 75 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1nso s ASN 76 N -4.31 -0.53 0.00 1.20 0.01 -1.09 -4.89 114.94 105.34 1nso s ASN 76 Ca 0.03 0.96 0.00 0.00 -0.71 0.00 0.00 52.86 53.14 1nso s ASN 76 Cb -0.02 0.90 0.00 0.00 0.41 0.00 0.00 41.25 42.55 1nso s ASN 76 CO 0.77 -0.18 0.00 -0.24 -1.51 0.00 0.00 177.10 175.94 1nso n SER 77 N 3.54 0.00 -3.54 -1.22 2.88 -1.26 -1.16 113.62 112.86 1nso n SER 77 Ca -0.18 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.29 1nso n SER 77 Cb 0.56 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.00 1nso n SER 77 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1nso s GLY 78 N 0.00 -0.40 -0.27 0.46 0.00 -0.18 -3.90 107.32 103.04 1nso s GLY 78 Ca 0.00 1.20 -0.05 0.00 0.00 0.00 0.00 44.72 45.87 1nso s GLY 78 CO 0.00 0.40 0.53 -2.27 0.00 0.00 0.00 173.10 171.76 1nso s LEU 79 N -2.39 -1.01 0.09 0.66 2.96 -1.26 -1.62 118.68 116.12 1nso s LEU 79 Ca 0.07 0.98 -0.24 0.00 -0.22 0.00 0.00 54.13 54.72 1nso s LEU 79 Cb -0.01 1.82 0.06 0.00 0.50 0.00 0.00 46.19 48.57 1nso s LEU 79 CO -0.07 -0.25 0.59 0.27 -1.32 0.00 0.00 176.35 175.57 1nso s ILE 80 N 2.76 0.01 -0.56 6.68 -0.00 -1.08 -5.00 121.20 124.01 1nso s ILE 80 Ca 0.07 -0.08 -0.23 0.00 -0.00 0.00 0.00 60.65 60.41 1nso s ILE 80 Cb -0.14 -1.01 0.05 0.00 -0.00 0.00 0.00 42.46 41.37 1nso s ILE 80 CO -0.18 -0.04 0.89 -1.59 -0.00 0.00 0.00 174.94 174.02 1nso s LYS 81 N -2.95 3.26 0.00 0.37 -2.85 -1.26 -2.00 119.74 114.31 1nso s LYS 81 Ca -0.03 -0.47 0.00 0.00 -1.00 0.00 0.00 55.97 54.48 1nso s LYS 81 Cb -0.01 -4.09 0.00 0.00 -2.06 0.00 0.00 37.83 31.68 1nso s LYS 81 CO -0.06 -1.49 0.00 -0.35 0.10 0.00 0.00 175.35 173.56 1nso n PRO 82 N 7.26 1.65 -3.95 1.78 -0.05 -1.24 -4.91 135.00 135.54 1nso n PRO 82 Ca -0.01 0.00 -0.35 0.00 -0.05 0.00 0.00 63.50 63.10 1nso n PRO 82 Cb 0.47 0.00 -0.14 0.00 -0.05 0.00 0.00 33.50 33.78 1nso n PRO 82 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 1nso s PHE 83 N 0.78 2.94 -0.33 0.54 0.08 -0.08 -4.09 117.98 117.82 1nso s PHE 83 Ca 0.00 -0.98 -0.09 0.00 0.12 0.00 0.00 56.93 55.98 1nso s PHE 83 Cb 0.00 -2.08 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 1nso s PHE 83 CO 0.00 -0.56 0.16 0.08 -0.10 0.00 0.00 175.22 174.80 1nso s VAL 84 N 1.43 4.44 0.00 -0.44 1.01 -0.76 -1.07 120.40 125.02 1nso s VAL 84 Ca 0.05 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1nso s VAL 84 Cb -0.14 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 1nso s VAL 84 CO -0.04 -0.05 -0.22 -0.63 0.00 0.00 0.00 175.10 174.16 1nso s ILE 85 N 1.56 2.42 -0.62 2.22 1.01 -1.26 -1.37 121.20 125.17 1nso s ILE 85 Ca 0.03 -1.11 -0.07 0.00 0.00 0.00 0.00 60.65 59.50 1nso s ILE 85 Cb -0.18 -1.92 -0.18 0.00 0.01 0.00 0.00 42.46 40.19 1nso s ILE 85 CO 0.06 0.49 3.13 -0.81 0.00 0.00 0.00 174.94 177.81 1nso n PRO 86 N 2.09 2.48 -0.10 2.79 -0.04 -1.26 -2.13 135.00 138.84 1nso n PRO 86 Ca -0.16 -1.39 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 1nso n PRO 86 Cb 0.52 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 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 3.02 0.00 -2.74 3.54 5.15 -1.26 -4.99 115.26 117.98 1nso n ASN 87 Ca 0.53 -1.08 -0.07 0.00 -0.60 0.00 0.00 54.58 53.37 1nso n ASN 87 Cb 0.58 -0.02 0.01 0.00 -0.53 0.00 0.00 39.78 39.82 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 0.00 -7.55 -0.56 1.20 7.94 -1.23 -4.84 117.00 111.97 1nso n LEU 88 Ca 0.00 0.57 0.00 0.00 -1.11 0.00 0.00 56.01 55.47 1nso n LEU 88 Cb 0.52 -3.23 0.00 0.00 0.53 0.00 0.00 43.42 41.23 1nso n LEU 88 CO 0.00 -2.27 0.23 -2.65 -1.11 0.00 0.00 177.39 171.59 1nso n PRO 89 N -0.23 0.82 -0.76 1.96 -0.02 -1.26 -4.77 135.00 130.74 1nso n PRO 89 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1nso n PRO 89 Cb 0.39 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 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 0.15 0.00 -3.01 -1.45 0.31 -1.26 -4.36 118.33 108.71 1nso n VAL 90 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1nso n VAL 90 Cb 0.23 -0.08 0.01 0.00 -0.91 0.00 0.00 33.84 33.09 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 0.00 -7.25 -4.65 4.52 5.15 -1.26 -4.98 115.26 106.79 1nso n ASN 91 Ca 0.00 0.63 -0.35 0.00 -0.60 0.00 0.00 54.58 54.26 1nso n ASN 91 Cb 0.00 -3.98 -0.10 0.00 -0.53 0.00 0.00 39.78 35.17 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 -2.04 3.68 0.65 1.20 2.01 -0.12 -4.86 118.68 119.21 1nso s LEU 92 Ca 0.17 0.10 -0.02 0.00 0.01 0.00 0.00 54.13 54.39 1nso s LEU 92 Cb -0.03 -1.89 0.07 0.00 0.01 0.00 0.00 46.19 44.35 1nso s LEU 92 CO 0.67 0.27 0.92 0.86 1.01 0.00 0.00 176.35 180.08 1nso s TRP 93 N -0.23 2.50 -0.06 0.29 -0.00 -1.26 0.08 118.94 120.26 1nso s TRP 93 Ca 0.07 0.06 -0.02 0.00 -0.00 0.00 0.00 56.10 56.20 1nso s TRP 93 Cb -0.12 -2.99 -0.04 0.00 -0.00 0.00 0.00 33.47 30.32 1nso s TRP 93 CO 0.02 -1.31 0.05 0.20 -0.00 0.00 0.00 176.95 175.91 1nso s GLY 94 N -4.55 1.96 0.56 5.86 0.00 -1.26 -4.11 107.32 105.78 1nso s GLY 94 Ca 0.61 -0.81 0.34 0.00 0.00 0.00 0.00 44.72 44.86 1nso s GLY 94 CO 0.42 -0.62 1.81 0.07 0.00 0.00 0.00 173.10 174.78 1nso h ARG 95 N 4.69 0.00 -0.53 2.90 0.11 0.12 0.18 114.38 121.85 1nso h ARG 95 Ca -0.51 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.56 1nso h ARG 95 Cb 1.19 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.25 1nso h ARG 95 CO 0.58 0.00 0.29 -0.44 0.10 0.00 0.00 179.97 180.50 1nso h ASP 96 N 0.00 0.66 0.35 0.08 3.32 -1.94 0.20 116.42 119.08 1nso h ASP 96 Ca 0.47 -0.09 -0.27 0.00 0.02 0.00 0.00 57.03 57.16 1nso h ASP 96 Cb 2.01 -0.17 0.01 0.00 0.22 0.00 0.00 39.33 41.40 1nso h ASP 96 CO -0.00 0.57 -1.16 -0.07 -1.72 0.00 0.00 179.24 176.85 1nso h LEU 97 N 0.71 0.64 -0.04 1.55 4.07 -0.99 -2.83 115.31 118.43 1nso h LEU 97 Ca 0.19 -0.59 -0.01 0.00 0.08 0.00 0.00 57.88 57.55 1nso h LEU 97 Cb 0.05 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.59 1nso h LEU 97 CO -0.03 1.42 0.00 -0.07 -1.08 0.00 0.00 178.44 178.68 1nso h LEU 98 N 0.20 0.06 -0.48 1.67 -0.00 -1.15 0.26 115.31 115.87 1nso h LEU 98 Ca -0.14 -0.30 0.09 0.00 -0.00 0.00 0.00 57.88 57.53 1nso h LEU 98 Cb 1.84 -0.02 -0.07 0.00 -0.00 0.00 0.00 40.66 42.41 1nso h LEU 98 CO 0.21 0.34 0.07 0.28 -0.00 0.00 0.00 178.44 179.34 1nso h SER 99 N -0.22 -0.06 0.16 -0.43 0.02 -0.70 -0.84 113.55 111.46 1nso h SER 99 Ca 0.01 0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1nso h SER 99 Cb 0.31 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1nso h SER 99 CO 0.00 -0.00 -0.08 1.56 -1.14 0.00 0.00 176.83 177.17 1nso h GLN 100 N 0.19 -0.20 -0.61 3.45 4.20 -1.41 -0.02 115.11 120.71 1nso h GLN 100 Ca 0.24 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.03 1nso h GLN 100 Cb 0.34 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 28.07 1nso h GLN 100 CO -0.34 0.16 -0.51 1.98 -0.67 0.00 0.00 178.83 179.45 1nso h MET 101 N -0.61 -0.18 0.00 1.46 4.05 -0.15 -3.42 114.93 116.08 1nso h MET 101 Ca -0.02 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1nso h MET 101 Cb 0.46 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1nso h MET 101 CO 0.04 -0.12 0.00 1.17 0.23 0.00 0.00 176.91 178.23 1nso n LYS 102 N -5.04 0.00 -0.01 0.39 3.00 -0.62 -4.99 118.16 110.88 1nso n LYS 102 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.28 1nso n LYS 102 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.29 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 0.00 0.16 -1.76 3.15 -0.00 -0.42 -4.97 119.36 115.52 1nso n ILE 103 Ca 0.00 -0.06 -0.41 0.00 -0.00 0.00 0.00 62.75 62.28 1nso n ILE 103 Cb 0.00 -0.86 -0.00 0.00 -0.00 0.00 0.00 39.64 38.78 1nso n ILE 103 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.55 177.70 1nso n MET 104 N -2.73 2.62 -1.44 0.38 0.00 -0.05 -4.80 117.12 111.09 1nso n MET 104 Ca -0.05 0.92 -0.32 0.00 0.00 0.00 0.00 57.70 58.25 1nso n MET 104 Cb 0.55 -2.64 -0.08 0.00 0.00 0.00 0.00 33.22 31.05 1nso n MET 104 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 1nso n MET 105 N 0.62 0.94 -2.84 3.17 1.56 -1.26 -4.87 117.12 114.44 1nso n MET 105 Ca 0.02 -1.87 -0.43 0.00 -0.27 0.00 0.00 57.70 55.15 1nso n MET 105 Cb 0.38 -3.36 -0.04 0.00 2.15 0.00 0.00 33.22 32.35 1nso n MET 105 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1nso s ALA 106 N 10.31 3.15 0.00 -5.12 0.00 -1.26 -5.26 121.76 123.58 1nso s ALA 106 Ca 0.69 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1nso s ALA 106 Cb 0.05 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.42 1nso s ALA 106 CO 0.18 -2.43 0.42 0.45 0.00 0.00 0.00 175.76 174.39