#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e85 h SER -1 N 0.00 0.00 -0.70 0.00 4.64 -2.02 -3.47 113.55 112.00 2e85 h SER -1 Ca 0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 2e85 h SER -1 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 2e85 h SER -1 CO 0.00 0.75 -0.27 0.00 -0.87 0.00 0.00 176.83 176.45 2e85 n ALA 0 N -2.36 -0.22 -1.76 5.18 0.00 -1.26 -4.98 120.51 115.10 2e85 n ALA 0 Ca -0.00 0.23 -0.40 0.00 0.00 0.00 0.00 53.44 53.27 2e85 n ALA 0 Cb 0.76 -1.58 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 2e85 n ALA 0 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2e85 s VAL 1 N -2.54 3.20 0.08 0.00 1.01 -1.26 -4.93 120.40 115.96 2e85 s VAL 1 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 61.98 63.16 2e85 s VAL 1 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2e85 s VAL 1 CO 0.00 0.26 0.00 0.35 0.00 0.00 0.00 175.10 175.71 2e85 n THR 2 N 0.92 0.27 -3.62 3.92 -2.24 -1.26 -4.71 114.28 107.56 2e85 n THR 2 Ca -0.00 0.09 -0.38 0.00 -2.27 0.00 0.00 64.05 61.49 2e85 n THR 2 Cb 0.44 -0.75 -0.06 0.00 -2.10 0.00 0.00 70.33 67.86 2e85 n THR 2 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2e85 s ASP 3 N -4.94 6.65 -0.01 3.42 1.01 -1.26 -0.32 116.67 121.22 2e85 s ASP 3 Ca 0.00 0.77 0.04 0.00 0.71 0.00 0.00 52.55 54.08 2e85 s ASP 3 Cb 0.00 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.73 2e85 s ASP 3 CO 0.00 0.33 -0.14 -0.69 0.21 0.00 0.00 175.17 174.88 2e85 s VAL 4 N -0.92 1.15 -0.20 -1.27 1.01 -0.25 -1.43 120.40 118.49 2e85 s VAL 4 Ca 0.20 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2e85 s VAL 4 Cb -0.15 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.30 2e85 s VAL 4 CO 0.10 0.33 -0.17 -0.22 0.00 0.00 0.00 175.10 175.14 2e85 s LEU 5 N -0.30 2.53 -0.29 3.92 2.96 0.49 -1.15 118.68 126.84 2e85 s LEU 5 Ca 0.05 -0.83 -0.10 0.00 -0.22 0.00 0.00 54.13 53.02 2e85 s LEU 5 Cb -0.06 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 2e85 s LEU 5 CO -0.00 -0.05 0.15 -0.22 -1.32 0.00 0.00 176.35 174.91 2e85 s LEU 6 N 1.25 3.94 -0.25 -0.68 2.96 0.55 0.02 118.68 126.48 2e85 s LEU 6 Ca 0.01 -0.23 -0.09 0.00 -0.22 0.00 0.00 54.13 53.60 2e85 s LEU 6 Cb -0.15 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 2e85 s LEU 6 CO -0.10 -0.10 0.12 0.00 -1.32 0.00 0.00 176.35 174.94 2e85 s VAL 8 N 1.42 3.62 -5.00 0.00 1.01 -0.24 -0.51 120.40 120.70 2e85 s VAL 8 Ca 0.06 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2e85 s VAL 8 Cb -0.15 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.75 2e85 s VAL 8 CO 0.06 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.35 2e85 n GLY 9 N 2.39 -1.10 2.65 4.51 0.00 0.12 -3.59 105.19 110.18 2e85 n GLY 9 Ca -0.18 -1.54 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 2e85 n GLY 9 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2e85 s ASN 10 N -1.38 1.80 0.42 1.61 3.84 -0.72 -2.68 114.94 117.84 2e85 s ASN 10 Ca 0.00 -0.29 0.30 0.00 0.21 0.00 0.00 52.86 53.08 2e85 s ASN 10 Cb 0.00 -0.23 1.27 0.00 -0.55 0.00 0.00 41.25 41.75 2e85 s ASN 10 CO 0.00 -0.29 1.88 0.28 -2.79 0.00 0.00 177.10 176.18 2e85 h SER 11 N 8.41 0.00 -0.27 -4.21 0.02 -1.86 -1.52 113.55 114.11 2e85 h SER 11 Ca -0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2e85 h SER 11 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2e85 h SER 11 CO 0.23 0.00 0.00 0.23 -1.14 0.00 0.00 176.83 176.15 2e85 n MET 12 N -2.68 1.96 -2.38 3.45 2.81 -1.26 -4.19 117.12 114.82 2e85 n MET 12 Ca 0.01 -1.12 -0.15 0.00 -1.81 0.00 0.00 57.70 54.63 2e85 n MET 12 Cb 0.24 -1.41 0.03 0.00 -0.71 0.00 0.00 33.22 31.37 2e85 n MET 12 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 2e85 n MET 13 N 0.32 2.80 0.00 0.03 2.81 -0.59 -1.01 117.12 121.47 2e85 n MET 13 Ca 0.10 -3.91 0.00 0.00 -1.81 0.00 0.00 57.70 52.08 2e85 n MET 13 Cb 0.37 -1.98 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 2e85 n MET 13 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2e85 n GLY 14 N -0.61 3.66 0.24 3.03 0.00 -1.17 -1.87 105.19 108.47 2e85 n GLY 14 Ca 0.29 -0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.41 2e85 n GLY 14 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2e85 h ASP 15 N 0.00 0.00 0.06 1.61 3.32 -1.07 -0.41 116.42 119.94 2e85 h ASP 15 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2e85 h ASP 15 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2e85 h ASP 15 CO 0.00 0.00 0.00 -0.67 -1.72 0.00 0.00 179.24 176.85 2e85 n ASP 16 N -2.70 0.02 0.00 6.45 2.03 -0.78 -2.33 116.55 119.24 2e85 n ASP 16 Ca -0.01 0.51 0.08 0.00 0.52 0.00 0.00 54.79 55.89 2e85 n ASP 16 Cb 0.14 -0.51 0.48 0.00 -0.72 0.00 0.00 41.12 40.51 2e85 n ASP 16 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2e85 n GLY 17 N -1.31 -0.79 0.26 0.27 0.00 -0.16 -1.76 105.19 101.70 2e85 n GLY 17 Ca 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 2e85 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e85 h ALA 18 N 3.22 0.85 0.57 4.61 0.00 -1.70 -0.03 119.26 126.77 2e85 h ALA 18 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2e85 h ALA 18 Cb 0.00 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2e85 h ALA 18 CO 0.00 0.18 -0.28 0.78 0.00 0.00 0.00 179.25 179.93 2e85 h GLY 19 N 0.81 -0.80 0.25 0.00 0.00 -1.73 -1.39 103.07 100.20 2e85 h GLY 19 Ca 0.26 0.30 0.20 0.00 0.00 0.00 0.00 47.33 48.09 2e85 h GLY 19 CO -0.10 -0.29 0.61 -2.55 0.00 0.00 0.00 176.54 174.21 2e85 h PRO 20 N -0.94 0.47 -0.35 4.80 0.11 -1.73 -1.79 132.00 132.57 2e85 h PRO 20 Ca -0.08 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 2e85 h PRO 20 Cb 0.64 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.63 2e85 h PRO 20 CO 0.13 0.31 0.13 1.25 -0.21 0.00 0.00 178.00 179.61 2e85 h LEU 21 N 0.49 0.49 -0.58 2.35 5.85 -0.68 -0.35 115.31 122.87 2e85 h LEU 21 Ca 0.50 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 59.10 2e85 h LEU 21 Cb 1.13 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 2e85 h LEU 21 CO -0.22 0.54 0.28 0.25 -0.34 0.00 0.00 178.44 178.95 2e85 h LEU 22 N 0.42 0.39 -0.92 2.25 5.85 -0.48 -1.02 115.31 121.80 2e85 h LEU 22 Ca 0.12 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.89 2e85 h LEU 22 Cb 0.20 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 2e85 h LEU 22 CO -0.01 0.25 0.61 0.00 -0.34 0.00 0.00 178.44 178.95 2e85 h ALA 23 N 1.34 1.17 -0.53 1.25 0.00 -0.98 -1.11 119.26 120.39 2e85 h ALA 23 Ca 0.27 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2e85 h ALA 23 Cb 0.22 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2e85 h ALA 23 CO -0.20 0.55 0.30 1.49 0.00 0.00 0.00 179.25 181.38 2e85 h GLU 24 N 1.23 0.73 -0.44 0.00 4.81 -0.39 -1.40 114.58 119.12 2e85 h GLU 24 Ca 0.34 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.48 2e85 h GLU 24 Cb -0.13 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.09 2e85 h GLU 24 CO -0.08 0.56 0.23 0.87 -0.73 0.00 0.00 179.01 179.86 2e85 h LYS 25 N 0.70 0.63 -0.38 1.92 1.57 -0.82 -2.07 116.57 118.11 2e85 h LYS 25 Ca 0.19 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2e85 h LYS 25 Cb 0.03 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2e85 h LYS 25 CO -0.03 0.51 -0.01 0.00 -0.57 0.00 0.00 179.45 179.35 2e85 h ALA 27 N 1.41 0.88 0.01 0.00 0.00 -0.95 -2.02 119.26 118.59 2e85 h ALA 27 Ca 0.12 -0.37 -0.20 0.00 0.00 0.00 0.00 54.91 54.46 2e85 h ALA 27 Cb 0.39 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2e85 h ALA 27 CO 0.02 0.63 -0.92 0.00 0.00 0.00 0.00 179.25 178.98 2e85 h ALA 28 N 1.08 0.49 -1.41 0.00 0.00 -1.08 -3.41 119.26 114.92 2e85 h ALA 28 Ca 0.10 -0.78 -0.24 0.00 0.00 0.00 0.00 54.91 53.99 2e85 h ALA 28 Cb 0.72 -0.10 -0.23 0.00 0.00 0.00 0.00 17.79 18.17 2e85 h ALA 28 CO 0.06 1.02 -0.59 0.00 0.00 0.00 0.00 179.25 179.73 2e85 s ALA 29 N -3.04 -1.32 0.39 0.00 0.00 -0.36 -5.11 121.76 112.33 2e85 s ALA 29 Ca -0.01 -0.65 -0.26 0.00 0.00 0.00 0.00 51.96 51.04 2e85 s ALA 29 Cb 0.10 -2.42 -0.11 0.00 0.00 0.00 0.00 23.12 20.70 2e85 s ALA 29 CO 0.82 -2.18 1.18 -2.30 0.00 0.00 0.00 175.76 173.28 2e85 n PRO 30 N 3.66 1.76 -4.87 0.00 -0.02 -0.77 -4.42 135.00 130.34 2e85 n PRO 30 Ca 0.16 0.62 -0.27 0.00 -2.02 0.00 0.00 63.50 61.99 2e85 n PRO 30 Cb 0.53 -2.23 -0.16 0.00 -0.02 0.00 0.00 33.50 31.61 2e85 n PRO 30 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2e85 s LYS 31 N -2.03 2.04 2.94 -0.52 -0.14 -1.26 -5.07 119.74 115.69 2e85 s LYS 31 Ca 0.60 -0.63 0.00 0.00 -1.36 0.00 0.00 55.97 54.58 2e85 s LYS 31 Cb -0.55 -1.69 0.00 0.00 -1.68 0.00 0.00 37.83 33.91 2e85 s LYS 31 CO 0.59 0.19 0.00 0.41 -0.76 0.00 0.00 175.35 175.78 2e85 n GLY 32 N 3.35 0.09 1.16 -3.33 0.00 -1.26 -3.96 105.19 101.24 2e85 n GLY 32 Ca -0.19 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 44.95 2e85 n GLY 32 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2e85 n ASN 33 N -1.57 4.00 -4.73 1.61 5.03 -1.26 -5.02 115.26 113.32 2e85 n ASN 33 Ca 0.00 -2.39 -0.42 0.00 0.87 0.00 0.00 54.58 52.64 2e85 n ASN 33 Cb 0.00 -0.46 -0.03 0.00 -1.02 0.00 0.00 39.78 38.27 2e85 n ASN 33 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2e85 s TRP 34 N -1.72 3.23 -0.21 3.10 0.52 -1.25 -4.41 118.94 118.20 2e85 s TRP 34 Ca 0.41 1.08 -0.24 0.00 0.02 0.00 0.00 56.10 57.36 2e85 s TRP 34 Cb 0.27 -3.66 -0.01 0.00 -1.15 0.00 0.00 33.47 28.92 2e85 s TRP 34 CO 0.20 -2.18 0.80 0.08 0.02 0.00 0.00 176.95 175.87 2e85 s VAL 35 N 0.59 4.87 -0.26 4.03 1.01 -0.51 -4.91 120.40 125.22 2e85 s VAL 35 Ca 0.61 1.54 -0.08 0.00 0.00 0.00 0.00 61.98 64.05 2e85 s VAL 35 Cb -0.37 -4.10 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 2e85 s VAL 35 CO 0.35 -0.02 0.09 -0.69 0.00 0.00 0.00 175.10 174.82 2e85 s VAL 36 N 2.51 4.35 -0.27 2.92 1.01 -1.26 -0.38 120.40 129.27 2e85 s VAL 36 Ca 0.35 -0.26 -0.12 0.00 0.00 0.00 0.00 61.98 61.95 2e85 s VAL 36 Cb -0.16 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 2e85 s VAL 36 CO 0.09 0.27 0.24 -0.63 0.00 0.00 0.00 175.10 175.07 2e85 s ILE 37 N 1.61 5.27 -1.13 2.22 1.09 0.10 -4.97 121.20 125.39 2e85 s ILE 37 Ca 0.06 0.30 -0.19 0.00 -1.10 0.00 0.00 60.65 59.71 2e85 s ILE 37 Cb -0.16 -3.58 0.09 0.00 -1.06 0.00 0.00 42.46 37.75 2e85 s ILE 37 CO 0.04 0.23 1.49 -0.62 -0.10 0.00 0.00 174.94 175.98 2e85 s ASP 38 N 1.65 6.73 0.42 3.58 -1.08 -1.26 -1.03 116.67 125.68 2e85 s ASP 38 Ca 0.10 -2.15 0.28 0.00 -0.52 0.00 0.00 52.55 50.26 2e85 s ASP 38 Cb -0.16 -2.52 0.94 0.00 -1.46 0.00 0.00 42.92 39.73 2e85 s ASP 38 CO 0.10 -1.19 1.80 1.23 0.52 0.00 0.00 175.17 177.63 2e85 h GLY 39 N 11.80 0.00 0.00 2.66 0.00 -1.18 -3.49 103.07 112.87 2e85 h GLY 39 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 2e85 h GLY 39 CO 1.36 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.51 2e85 n GLY 40 N 0.49 0.56 0.27 4.60 0.00 -1.23 -4.10 105.19 105.77 2e85 n GLY 40 Ca 0.02 -0.79 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 2e85 n GLY 40 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2e85 h SER 41 N 7.28 0.67 -3.38 1.61 0.02 -1.89 0.38 113.55 118.25 2e85 h SER 41 Ca 0.00 -0.18 -0.56 0.00 -0.84 0.00 0.00 61.79 60.22 2e85 h SER 41 Cb 0.00 -0.18 -0.34 0.00 0.14 0.00 0.00 62.40 62.02 2e85 h SER 41 CO 0.00 0.79 -0.83 0.00 -1.14 0.00 0.00 176.83 175.65 2e85 s ALA 42 N -4.84 1.49 -0.23 3.77 0.00 -1.26 -4.56 121.76 116.13 2e85 s ALA 42 Ca -0.09 -0.56 0.28 0.00 0.00 0.00 0.00 51.96 51.59 2e85 s ALA 42 Cb 0.14 -0.65 0.80 0.00 0.00 0.00 0.00 23.12 23.41 2e85 s ALA 42 CO 0.80 0.12 1.77 -1.00 0.00 0.00 0.00 175.76 177.46 2e85 h PRO 43 N 6.98 0.00 -0.75 0.00 0.13 -1.84 -3.38 132.00 133.15 2e85 h PRO 43 Ca -0.28 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.01 2e85 h PRO 43 Cb 1.20 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.22 2e85 h PRO 43 CO 0.47 0.00 0.24 0.93 -0.23 0.00 0.00 178.00 179.41 2e85 h GLU 44 N 0.00 0.33 -0.20 0.86 3.07 -1.95 -0.49 114.58 116.21 2e85 h GLU 44 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2e85 h GLU 44 Cb 0.77 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.61 2e85 h GLU 44 CO 0.00 0.22 0.00 0.27 -1.40 0.00 0.00 179.01 178.10 2e85 n ASN 45 N -5.09 1.13 -0.00 1.42 6.94 -1.26 -3.16 115.26 115.23 2e85 n ASN 45 Ca 0.15 -1.93 0.08 0.00 -0.02 0.00 0.00 54.58 52.85 2e85 n ASN 45 Cb 0.46 -0.13 -0.09 0.00 -2.36 0.00 0.00 39.78 37.66 2e85 n ASN 45 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2e85 n ASP 46 N 0.09 0.77 -0.09 0.53 8.00 -0.19 -4.63 116.55 121.02 2e85 n ASP 46 Ca 0.09 -0.84 -0.10 0.00 0.71 0.00 0.00 54.79 54.64 2e85 n ASP 46 Cb 0.19 1.03 -0.03 0.00 -0.02 0.00 0.00 41.12 42.29 2e85 n ASP 46 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2e85 h ILE 47 N 0.00 1.19 -0.56 0.53 1.08 -1.52 -2.48 117.51 115.75 2e85 h ILE 47 Ca 0.00 -0.58 0.05 0.00 -0.39 0.00 0.00 64.86 63.94 2e85 h ILE 47 Cb 0.39 1.04 -0.05 0.00 -3.07 0.00 0.00 36.82 35.13 2e85 h ILE 47 CO 0.00 0.20 0.29 0.58 -0.69 0.00 0.00 178.15 178.53 2e85 h VAL 48 N 0.30 0.96 -0.44 1.67 2.07 -1.82 -0.43 116.25 118.57 2e85 h VAL 48 Ca 0.09 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 2e85 h VAL 48 Cb 0.21 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 2e85 h VAL 48 CO -0.01 0.10 0.16 0.00 0.02 0.00 0.00 177.57 177.85 2e85 h ALA 49 N 1.30 0.57 -0.45 1.67 0.00 -1.85 -1.84 119.26 118.66 2e85 h ALA 49 Ca 0.25 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.02 2e85 h ALA 49 Cb 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2e85 h ALA 49 CO -0.17 0.19 0.28 0.82 0.00 0.00 0.00 179.25 180.38 2e85 h ILE 50 N 0.57 1.08 -0.71 0.00 1.08 -0.94 -1.31 117.51 117.28 2e85 h ILE 50 Ca 0.14 -0.20 -0.05 0.00 -0.39 0.00 0.00 64.86 64.37 2e85 h ILE 50 Cb 0.21 0.46 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 2e85 h ILE 50 CO -0.01 0.10 0.25 0.03 -0.69 0.00 0.00 178.15 177.83 2e85 h ARG 51 N 0.57 1.07 0.00 2.37 3.08 -0.89 -2.56 114.38 118.02 2e85 h ARG 51 Ca 0.17 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 2e85 h ARG 51 Cb -0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2e85 h ARG 51 CO -0.06 0.89 -0.33 0.93 -1.07 0.00 0.00 179.97 180.33 2e85 h GLU 52 N 1.04 0.00 0.00 0.04 4.39 -1.01 -1.84 114.58 117.20 2e85 h GLU 52 Ca 0.23 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.93 2e85 h GLU 52 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 2e85 h GLU 52 CO -0.01 0.33 0.00 -0.07 -1.16 0.00 0.00 179.01 178.10 2e85 h LEU 53 N 0.00 0.00 -2.32 1.33 3.38 -0.82 -3.47 115.31 113.41 2e85 h LEU 53 Ca -0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 2e85 h LEU 53 Cb 0.60 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.36 2e85 h LEU 53 CO 0.04 0.00 -0.90 0.54 0.09 0.00 0.00 178.44 178.22 2e85 n ARG 54 N -2.90 -2.84 -1.47 1.13 1.74 -0.69 -4.77 116.66 106.87 2e85 n ARG 54 Ca -0.00 0.45 -0.31 0.00 -0.77 0.00 0.00 57.85 57.21 2e85 n ARG 54 Cb 0.23 -4.46 0.07 0.00 -1.02 0.00 0.00 32.46 27.27 2e85 n ARG 54 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2e85 s PRO 55 N -6.31 2.59 0.04 5.56 0.04 -1.26 -4.82 135.00 130.85 2e85 s PRO 55 Ca 0.15 1.14 0.19 0.00 0.04 0.00 0.00 61.00 62.52 2e85 s PRO 55 Cb -0.06 -1.94 -0.16 0.00 0.04 0.00 0.00 34.50 32.39 2e85 s PRO 55 CO 0.87 -1.38 0.72 0.25 0.04 0.00 0.00 177.00 177.50 2e85 n THR 56 N -3.16 0.91 -3.75 1.26 -2.24 0.57 -4.72 114.28 103.16 2e85 n THR 56 Ca 0.09 -0.65 -0.12 0.00 -2.27 0.00 0.00 64.05 61.09 2e85 n THR 56 Cb 0.53 -0.51 -0.12 0.00 -2.10 0.00 0.00 70.33 68.12 2e85 n THR 56 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2e85 s ARG 57 N -3.05 0.25 -0.12 -0.78 3.52 -1.07 -3.20 118.95 114.49 2e85 s ARG 57 Ca -0.04 0.48 0.02 0.00 -0.13 0.00 0.00 55.73 56.06 2e85 s ARG 57 Cb 0.09 -0.03 0.01 0.00 -1.56 0.00 0.00 34.95 33.47 2e85 s ARG 57 CO 0.83 -0.12 -0.16 -1.17 -0.81 0.00 0.00 175.30 173.86 2e85 s LEU 58 N 0.88 1.78 -0.14 -0.88 2.96 0.64 -1.09 118.68 122.82 2e85 s LEU 58 Ca -0.06 -0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 53.36 2e85 s LEU 58 Cb -0.07 -1.15 -0.02 0.00 0.50 0.00 0.00 46.19 45.44 2e85 s LEU 58 CO -0.06 0.02 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.71 2e85 s LEU 59 N 0.99 3.12 -0.13 -0.68 2.96 -0.30 -0.47 118.68 124.18 2e85 s LEU 59 Ca -0.06 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 2e85 s LEU 59 Cb -0.15 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 2e85 s LEU 59 CO -0.02 0.18 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.38 2e85 s ILE 60 N 0.28 2.57 -0.11 6.68 1.01 0.09 -0.33 121.20 131.40 2e85 s ILE 60 Ca -0.05 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.80 2e85 s ILE 60 Cb -0.14 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.29 2e85 s ILE 60 CO 0.04 0.54 -0.21 -0.69 0.00 0.00 0.00 174.94 174.61 2e85 s VAL 61 N 0.47 1.87 -0.16 2.92 1.01 -0.51 -0.06 120.40 125.94 2e85 s VAL 61 Ca -0.12 -0.89 -0.13 0.00 0.00 0.00 0.00 61.98 60.83 2e85 s VAL 61 Cb -0.17 -1.65 0.04 0.00 0.00 0.00 0.00 36.38 34.61 2e85 s VAL 61 CO 0.05 0.52 0.41 -0.62 0.00 0.00 0.00 175.10 175.46 2e85 s ASP 62 N 0.64 -0.45 0.13 3.32 2.15 -0.69 -1.07 116.67 120.70 2e85 s ASP 62 Ca -0.12 0.85 -0.31 0.00 0.43 0.00 0.00 52.55 53.39 2e85 s ASP 62 Cb -0.16 0.83 -0.09 0.00 -0.30 0.00 0.00 42.92 43.20 2e85 s ASP 62 CO 0.03 -0.15 1.45 0.00 -0.17 0.00 0.00 175.17 176.32 2e85 s ALA 63 N 0.47 3.65 -0.13 3.66 0.00 -1.26 -1.85 121.76 126.31 2e85 s ALA 63 Ca -0.02 1.20 -0.06 0.00 0.00 0.00 0.00 51.96 53.07 2e85 s ALA 63 Cb -0.04 -3.56 0.05 0.00 0.00 0.00 0.00 23.12 19.57 2e85 s ALA 63 CO -0.02 -0.67 0.30 0.99 0.00 0.00 0.00 175.76 176.36 2e85 s THR 64 N 1.13 -0.08 -0.11 0.00 2.01 -0.06 -4.86 115.64 113.66 2e85 s THR 64 Ca 0.66 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 62.51 2e85 s THR 64 Cb -0.39 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.63 2e85 s THR 64 CO 0.30 0.06 1.27 -0.62 -0.69 0.00 0.00 174.62 174.94 2e85 s ASP 65 N 1.42 6.96 0.00 3.53 2.15 -1.26 -4.08 116.67 125.39 2e85 s ASP 65 Ca -0.08 1.78 0.00 0.00 0.43 0.00 0.00 52.55 54.68 2e85 s ASP 65 Cb -0.10 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.97 2e85 s ASP 65 CO -0.10 -0.71 0.57 0.23 -0.17 0.00 0.00 175.17 174.99 2e85 n MET 66 N 6.08 0.29 -1.39 4.34 2.81 -1.26 -5.00 117.12 122.99 2e85 n MET 66 Ca 0.13 -0.70 -0.06 0.00 -1.81 0.00 0.00 57.70 55.26 2e85 n MET 66 Cb 0.45 -0.90 -0.02 0.00 -0.71 0.00 0.00 33.22 32.05 2e85 n MET 66 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2e85 n GLY 67 N -0.14 0.64 3.98 3.03 0.00 -1.26 -5.05 105.19 106.40 2e85 n GLY 67 Ca 0.00 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 2e85 n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2e85 s LEU 68 N -1.34 3.09 0.53 0.99 1.43 -1.26 -5.10 118.68 117.02 2e85 s LEU 68 Ca 0.00 -0.90 -0.21 0.00 -1.03 0.00 0.00 54.13 51.99 2e85 s LEU 68 Cb 0.00 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.50 2e85 s LEU 68 CO 0.00 -1.14 1.23 0.20 0.23 0.00 0.00 176.35 176.88 2e85 s ASN 69 N -4.47 5.58 0.14 2.29 0.01 -1.26 -4.93 114.94 112.30 2e85 s ASN 69 Ca 0.52 2.46 -0.34 0.00 -0.71 0.00 0.00 52.86 54.79 2e85 s ASN 69 Cb -0.05 -2.61 -0.16 0.00 0.41 0.00 0.00 41.25 38.85 2e85 s ASN 69 CO 0.32 -1.33 1.34 -2.65 -1.51 0.00 0.00 177.10 173.27 2e85 n PRO 70 N -1.02 1.44 -0.03 -0.60 -0.02 -1.26 -2.11 135.00 131.40 2e85 n PRO 70 Ca 0.10 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2e85 n PRO 70 Cb 0.48 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2e85 n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2e85 n GLY 71 N 2.49 1.20 3.77 -1.23 0.00 0.11 -4.81 105.19 106.73 2e85 n GLY 71 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2e85 n GLY 71 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e85 s GLU 72 N -0.59 3.82 -0.10 1.61 0.41 -0.89 -4.64 118.70 118.32 2e85 s GLU 72 Ca 0.00 2.37 0.03 0.00 -0.41 0.00 0.00 54.97 56.96 2e85 s GLU 72 Cb 0.00 -2.73 -0.00 0.00 -1.78 0.00 0.00 34.13 29.62 2e85 s GLU 72 CO 0.00 -0.69 -0.22 0.42 -0.49 0.00 0.00 175.26 174.28 2e85 s ILE 73 N -1.21 2.26 0.01 -1.63 1.01 -1.26 -0.60 121.20 119.79 2e85 s ILE 73 Ca 0.59 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 2e85 s ILE 73 Cb -0.43 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 2e85 s ILE 73 CO 0.55 0.55 0.06 -0.13 0.00 0.00 0.00 174.94 175.97 2e85 s ARG 74 N 0.31 0.42 -0.07 2.79 1.81 -0.45 -4.51 118.95 119.25 2e85 s ARG 74 Ca -0.16 -0.54 -0.22 0.00 -1.72 0.00 0.00 55.73 53.08 2e85 s ARG 74 Cb -0.17 0.17 -0.04 0.00 -0.45 0.00 0.00 34.95 34.45 2e85 s ARG 74 CO 0.08 -0.09 0.66 0.42 -0.68 0.00 0.00 175.30 175.69 2e85 s ILE 75 N -1.58 5.06 -0.29 1.52 1.09 -0.12 -0.69 121.20 126.18 2e85 s ILE 75 Ca -0.14 1.36 -0.10 0.00 -1.10 0.00 0.00 60.65 60.67 2e85 s ILE 75 Cb -0.08 -4.00 -0.02 0.00 -1.06 0.00 0.00 42.46 37.30 2e85 s ILE 75 CO -0.00 0.27 0.15 -0.63 -0.10 0.00 0.00 174.94 174.63 2e85 s ILE 76 N 0.70 4.76 0.32 2.92 -1.09 -0.35 -0.49 121.20 127.97 2e85 s ILE 76 Ca 0.35 -0.19 -0.29 0.00 -2.23 0.00 0.00 60.65 58.29 2e85 s ILE 76 Cb -0.17 -3.34 -0.11 0.00 -1.58 0.00 0.00 42.46 37.26 2e85 s ILE 76 CO 0.17 0.18 1.52 -0.62 -1.23 0.00 0.00 174.94 174.95 2e85 s ASP 77 N 1.66 6.42 0.54 3.58 -1.08 -1.26 -4.46 116.67 122.07 2e85 s ASP 77 Ca 0.06 2.94 0.23 0.00 -0.52 0.00 0.00 52.55 55.25 2e85 s ASP 77 Cb -0.16 -2.65 1.41 0.00 -1.46 0.00 0.00 42.92 40.06 2e85 s ASP 77 CO 0.07 -0.85 2.07 -0.65 0.52 0.00 0.00 175.17 176.33 2e85 h PRO 78 N 4.08 0.00 -0.51 4.34 0.11 -1.97 0.19 132.00 138.24 2e85 h PRO 78 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2e85 h PRO 78 Cb 1.23 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2e85 h PRO 78 CO 0.72 0.00 0.10 0.22 -0.21 0.00 0.00 178.00 178.83 2e85 h ASP 79 N 0.00 0.74 0.25 -2.05 1.82 -2.00 -2.36 116.42 112.82 2e85 h ASP 79 Ca 0.14 -0.14 -0.27 0.00 -0.39 0.00 0.00 57.03 56.37 2e85 h ASP 79 Cb 0.58 -0.19 0.02 0.00 0.68 0.00 0.00 39.33 40.41 2e85 h ASP 79 CO -0.00 0.75 -1.11 0.44 -1.61 0.00 0.00 179.24 177.71 2e85 h ASP 80 N 0.76 0.70 -0.66 2.28 3.32 -1.07 -1.73 116.42 120.03 2e85 h ASP 80 Ca 0.16 -0.62 0.14 0.00 0.02 0.00 0.00 57.03 56.74 2e85 h ASP 80 Cb 0.32 -0.22 -0.11 0.00 0.22 0.00 0.00 39.33 39.54 2e85 h ASP 80 CO 0.00 1.43 0.05 0.40 -1.72 0.00 0.00 179.24 179.40 2e85 h ILE 81 N 0.25 0.48 -0.15 0.35 1.08 -0.94 -0.09 117.51 118.50 2e85 h ILE 81 Ca -0.14 -0.05 -0.02 0.00 -0.39 0.00 0.00 64.86 64.26 2e85 h ILE 81 Cb 1.78 0.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.83 2e85 h ILE 81 CO 0.20 0.03 0.02 0.00 -0.69 0.00 0.00 178.15 177.71 2e85 h ALA 82 N 1.59 0.20 -0.08 1.87 0.00 -1.28 -3.07 119.26 118.49 2e85 h ALA 82 Ca 0.36 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.04 2e85 h ALA 82 Cb 0.59 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2e85 h ALA 82 CO -0.54 -0.14 -0.22 0.93 0.00 0.00 0.00 179.25 179.28 2e85 h GLU 83 N 0.02 0.13 0.00 0.00 5.08 -1.03 -2.47 114.58 116.30 2e85 h GLU 83 Ca 0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2e85 h GLU 83 Cb 0.30 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2e85 h GLU 83 CO 0.00 0.35 -0.01 -1.33 -1.00 0.00 0.00 179.01 177.02 2e85 n MET 84 N -4.22 0.06 -3.88 2.33 2.81 -0.07 -4.94 117.12 109.20 2e85 n MET 84 Ca -0.01 0.05 -0.28 0.00 -1.81 0.00 0.00 57.70 55.64 2e85 n MET 84 Cb 0.31 -1.57 0.02 0.00 -0.71 0.00 0.00 33.22 31.28 2e85 n MET 84 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 2e85 n PHE 85 N -1.67 -2.12 -1.84 2.03 3.72 -0.93 -4.94 117.46 111.71 2e85 n PHE 85 Ca 0.07 0.87 -0.42 0.00 -0.05 0.00 0.00 57.45 57.92 2e85 n PHE 85 Cb 0.36 -4.02 -0.03 0.00 -0.94 0.00 0.00 39.48 34.85 2e85 n PHE 85 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 176.76 175.07 2e85 s MET 86 N -6.46 4.17 0.12 -1.08 -1.94 -1.16 -4.93 119.30 108.02 2e85 s MET 86 Ca 0.44 2.47 0.10 0.00 -1.71 0.00 0.00 55.69 56.99 2e85 s MET 86 Cb -0.22 -3.11 -0.04 0.00 2.01 0.00 0.00 34.83 33.47 2e85 s MET 86 CO 0.84 -0.65 -0.21 -1.64 -0.01 0.00 0.00 175.02 173.34 2e85 s MET 87 N 0.87 1.66 0.97 2.03 1.00 -1.26 -0.44 119.30 124.12 2e85 s MET 87 Ca 0.70 -1.23 -0.15 0.00 0.00 0.00 0.00 55.69 55.01 2e85 s MET 87 Cb -0.46 -2.05 0.18 0.00 0.00 0.00 0.00 34.83 32.50 2e85 s MET 87 CO 0.34 0.47 1.22 0.95 0.00 0.00 0.00 175.02 178.00 2e85 s THR 88 N -1.12 1.93 0.10 2.05 -4.23 0.11 -4.83 115.64 109.65 2e85 s THR 88 Ca 0.17 0.00 0.30 0.00 -1.18 0.00 0.00 61.69 60.98 2e85 s THR 88 Cb -0.10 -2.85 0.31 0.00 1.34 0.00 0.00 72.50 71.20 2e85 s THR 88 CO 0.09 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.10 2e85 h THR 89 N -1.69 0.00 -0.72 3.99 1.03 -1.90 -0.95 112.91 112.67 2e85 h THR 89 Ca -0.46 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 65.90 2e85 h THR 89 Cb 1.28 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 69.11 2e85 h THR 89 CO 0.47 0.00 0.00 1.41 -0.01 0.00 0.00 175.52 177.39 2e85 n HIS 90 N -2.58 1.04 -2.49 0.00 8.25 -1.26 -4.94 115.22 113.24 2e85 n HIS 90 Ca -0.02 -0.52 -0.21 0.00 -0.26 0.00 0.00 57.72 56.72 2e85 n HIS 90 Cb 0.07 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.15 2e85 n HIS 90 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2e85 n ASN 91 N 1.55 -5.98 -4.73 0.41 5.03 -0.36 -5.01 115.26 106.17 2e85 n ASN 91 Ca 0.24 -0.06 -0.40 0.00 0.87 0.00 0.00 54.58 55.23 2e85 n ASN 91 Cb 0.66 -4.95 -0.05 0.00 -1.02 0.00 0.00 39.78 34.42 2e85 n ASN 91 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 2e85 s MET 92 N -5.15 4.51 0.11 3.52 -2.45 -1.26 -4.83 119.30 113.74 2e85 s MET 92 Ca 0.04 1.10 -0.31 0.00 -1.25 0.00 0.00 55.69 55.27 2e85 s MET 92 Cb -0.02 -3.39 -0.09 0.00 1.25 0.00 0.00 34.83 32.58 2e85 s MET 92 CO 0.06 0.19 1.63 -1.25 1.05 0.00 0.00 175.02 176.70 2e85 s PRO 93 N 0.25 4.20 0.47 4.11 0.04 -1.26 -0.71 135.00 142.10 2e85 s PRO 93 Ca 0.40 2.35 0.14 0.00 0.04 0.00 0.00 61.00 63.93 2e85 s PRO 93 Cb -0.20 -3.44 1.09 0.00 0.04 0.00 0.00 34.50 31.99 2e85 s PRO 93 CO 0.23 -0.69 2.07 1.25 0.04 0.00 0.00 177.00 179.90 2e85 h LEU 94 N 7.92 0.10 -1.99 -3.56 5.85 -1.08 -2.07 115.31 120.48 2e85 h LEU 94 Ca -0.43 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 2e85 h LEU 94 Cb 1.20 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 2e85 h LEU 94 CO 0.92 0.14 -0.03 -0.55 -0.34 0.00 0.00 178.44 178.58 2e85 h ASN 95 N 0.11 0.00 -0.09 1.25 -1.07 -1.82 -1.76 115.58 112.20 2e85 h ASN 95 Ca 0.03 0.00 0.02 0.00 0.07 0.00 0.00 56.30 56.41 2e85 h ASN 95 Cb 0.11 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.34 2e85 h ASN 95 CO 0.00 0.03 -0.01 1.88 0.07 0.00 0.00 177.43 179.40 2e85 h TYR 96 N 0.00 -0.02 -0.25 4.14 -1.99 -1.76 0.13 116.97 117.22 2e85 h TYR 96 Ca -0.00 0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.70 2e85 h TYR 96 Cb 0.05 0.02 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 2e85 h TYR 96 CO 0.00 -0.02 0.00 -0.07 -0.00 0.00 0.00 178.16 178.07 2e85 h LEU 97 N 0.02 0.42 -0.19 3.88 4.07 -1.51 -2.59 115.31 119.41 2e85 h LEU 97 Ca 0.04 -0.30 -0.02 0.00 0.08 0.00 0.00 57.88 57.68 2e85 h LEU 97 Cb 0.05 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 2e85 h LEU 97 CO -0.08 0.62 0.05 0.40 -1.08 0.00 0.00 178.44 178.35 2e85 h ILE 98 N 0.21 1.20 -0.86 1.22 1.08 -1.18 -0.48 117.51 118.71 2e85 h ILE 98 Ca 0.07 -0.64 -0.02 0.00 -0.39 0.00 0.00 64.86 63.88 2e85 h ILE 98 Cb 0.40 1.27 -0.04 0.00 -3.07 0.00 0.00 36.82 35.38 2e85 h ILE 98 CO 0.01 0.20 0.45 0.44 -0.69 0.00 0.00 178.15 178.56 2e85 h ASP 99 N 0.12 1.08 -0.22 1.72 3.32 -0.78 -0.03 116.42 121.64 2e85 h ASP 99 Ca 0.06 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.81 2e85 h ASP 99 Cb 0.26 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2e85 h ASP 99 CO -0.00 0.89 -0.57 1.56 -1.72 0.00 0.00 179.24 179.40 2e85 h GLN 100 N 1.20 0.82 -0.94 3.56 1.08 -1.37 -2.79 115.11 116.67 2e85 h GLN 100 Ca 0.30 -0.53 0.01 0.00 -1.45 0.00 0.00 58.65 56.97 2e85 h GLN 100 Cb 0.06 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.51 2e85 h GLN 100 CO -0.04 1.16 0.61 -0.07 -0.95 0.00 0.00 178.83 179.54 2e85 h LEU 101 N 0.62 1.09 -1.89 1.46 3.38 -0.78 -2.53 115.31 116.67 2e85 h LEU 101 Ca 0.01 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2e85 h LEU 101 Cb 1.17 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 2e85 h LEU 101 CO 0.12 0.80 -0.10 0.11 0.09 0.00 0.00 178.44 179.47 2e85 h LYS 102 N 1.28 0.00 0.00 1.13 1.57 -0.83 0.72 116.57 120.45 2e85 h LYS 102 Ca 0.34 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 59.02 2e85 h LYS 102 Cb -0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2e85 h LYS 102 CO -0.07 0.10 -0.49 0.93 -0.57 0.00 0.00 179.45 179.34 2e85 h GLU 103 N 0.00 0.00 0.00 3.15 5.08 -1.19 -2.61 114.58 119.01 2e85 h GLU 103 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2e85 h GLU 103 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2e85 h GLU 103 CO 0.01 0.49 -1.63 -0.25 -1.00 0.00 0.00 179.01 176.64 2e85 n ASP 104 N -3.71 0.32 -0.01 1.42 8.00 -0.31 -4.73 116.55 117.53 2e85 n ASP 104 Ca -0.01 -0.19 -0.02 0.00 0.71 0.00 0.00 54.79 55.29 2e85 n ASP 104 Cb 0.55 1.56 -0.01 0.00 -0.02 0.00 0.00 41.12 43.21 2e85 n ASP 104 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2e85 n ILE 105 N -2.11 0.08 0.00 0.53 -0.00 0.09 -4.93 119.36 113.03 2e85 n ILE 105 Ca -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.71 2e85 n ILE 105 Cb 0.51 -1.33 0.00 0.00 -0.00 0.00 0.00 39.64 38.81 2e85 n ILE 105 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2e85 n GLY 106 N 3.00 3.21 2.79 7.39 0.00 -0.98 -4.61 105.19 115.99 2e85 n GLY 106 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 2e85 n GLY 106 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e85 s GLU 107 N -0.71 0.86 -0.11 1.61 2.12 -1.20 -5.05 118.70 116.23 2e85 s GLU 107 Ca 0.00 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.12 2e85 s GLU 107 Cb 0.00 -1.62 0.01 0.00 0.26 0.00 0.00 34.13 32.78 2e85 s GLU 107 CO 0.00 -0.44 -0.17 0.08 -0.54 0.00 0.00 175.26 174.18 2e85 s VAL 108 N 1.84 1.65 -0.11 3.70 1.01 -1.26 -0.26 120.40 126.98 2e85 s VAL 108 Ca 0.02 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2e85 s VAL 108 Cb -0.15 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.76 2e85 s VAL 108 CO -0.07 0.47 -0.19 -0.63 0.00 0.00 0.00 175.10 174.68 2e85 s ILE 109 N 0.83 1.75 -0.26 2.22 1.01 0.38 -4.99 121.20 122.15 2e85 s ILE 109 Ca -0.09 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 2e85 s ILE 109 Cb -0.16 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.75 2e85 s ILE 109 CO 0.00 0.49 0.04 0.12 0.00 0.00 0.00 174.94 175.60 2e85 s PHE 110 N 0.73 3.08 -0.21 3.97 5.36 -1.26 -0.73 117.98 128.93 2e85 s PHE 110 Ca -0.11 -0.82 -0.04 0.00 -0.96 0.00 0.00 56.93 55.00 2e85 s PHE 110 Cb -0.16 -2.21 -0.01 0.00 -0.34 0.00 0.00 43.02 40.30 2e85 s PHE 110 CO 0.02 -0.51 -0.03 -1.17 -1.46 0.00 0.00 175.22 172.06 2e85 s LEU 111 N 1.52 2.99 -0.01 6.12 0.20 0.92 -1.21 118.68 129.21 2e85 s LEU 111 Ca 0.04 -0.33 -0.01 0.00 0.69 0.00 0.00 54.13 54.52 2e85 s LEU 111 Cb -0.16 -1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.81 2e85 s LEU 111 CO 0.01 0.02 0.08 -0.83 -0.29 0.00 0.00 176.35 175.34 2e85 s GLY 112 N 1.27 2.02 -0.09 7.98 0.00 0.14 -1.70 107.32 116.94 2e85 s GLY 112 Ca 0.03 -0.85 0.03 0.00 0.00 0.00 0.00 44.72 43.93 2e85 s GLY 112 CO -0.01 -0.72 -0.20 -0.42 0.00 0.00 0.00 173.10 171.76 2e85 s ILE 113 N -1.17 1.74 -0.19 0.90 1.01 -0.77 -1.34 121.20 121.39 2e85 s ILE 113 Ca 0.22 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 59.75 2e85 s ILE 113 Cb -0.12 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.80 2e85 s ILE 113 CO 0.13 0.49 1.44 -1.58 0.00 0.00 0.00 174.94 175.42 2e85 s GLN 114 N 0.51 4.04 0.67 2.79 2.00 0.23 -0.88 119.66 129.01 2e85 s GLN 114 Ca -0.16 1.68 -0.11 0.00 -2.00 0.00 0.00 55.36 54.77 2e85 s GLN 114 Cb -0.17 -3.90 -0.00 0.00 0.80 0.00 0.00 33.01 29.74 2e85 s GLN 114 CO 0.06 -0.97 1.06 -1.25 -0.50 0.00 0.00 175.29 173.68 2e85 s PRO 115 N 4.05 3.08 -0.08 1.67 0.04 -1.26 -0.71 135.00 141.79 2e85 s PRO 115 Ca 0.63 0.49 -0.10 0.00 0.04 0.00 0.00 61.00 62.07 2e85 s PRO 115 Cb -0.24 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 2e85 s PRO 115 CO 0.23 -0.86 -0.19 -3.47 0.04 0.00 0.00 177.00 172.75 2e85 n ASP 116 N -2.89 1.22 -4.40 6.66 2.03 -1.26 -4.64 116.55 113.27 2e85 n ASP 116 Ca 0.06 0.20 -0.33 0.00 0.52 0.00 0.00 54.79 55.24 2e85 n ASP 116 Cb 0.56 -0.57 -0.14 0.00 -0.72 0.00 0.00 41.12 40.26 2e85 n ASP 116 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 2e85 s ILE 117 N -2.18 3.04 -0.10 5.18 -5.25 -1.26 -5.05 121.20 115.57 2e85 s ILE 117 Ca -0.15 -0.69 -0.02 0.00 -0.99 0.00 0.00 60.65 58.80 2e85 s ILE 117 Cb 0.02 -2.25 0.04 0.00 2.95 0.00 0.00 42.46 43.22 2e85 s ILE 117 CO 0.23 0.55 0.02 -0.69 -1.79 0.00 0.00 174.94 173.25 2e85 s VAL 118 N 0.01 0.34 -0.27 8.37 1.01 -1.26 -0.73 120.40 127.87 2e85 s VAL 118 Ca -0.04 -0.02 -0.36 0.00 0.00 0.00 0.00 61.98 61.56 2e85 s VAL 118 Cb -0.14 -0.62 0.16 0.00 0.00 0.00 0.00 36.38 35.79 2e85 s VAL 118 CO 0.04 0.12 1.35 -0.83 0.00 0.00 0.00 175.10 175.78 2e85 s GLY 119 N 1.97 -0.14 0.06 4.51 0.00 -1.21 -4.98 107.32 107.53 2e85 s GLY 119 Ca 0.04 2.09 -0.30 0.00 0.00 0.00 0.00 44.72 46.54 2e85 s GLY 119 CO -0.06 0.74 1.87 -0.12 0.00 0.00 0.00 173.10 175.53 2e85 s PHE 120 N -1.84 1.70 -0.68 1.90 5.36 -1.26 -1.88 117.98 121.27 2e85 s PHE 120 Ca 0.11 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.87 2e85 s PHE 120 Cb -0.01 -4.18 0.00 0.00 -0.34 0.00 0.00 43.02 38.49 2e85 s PHE 120 CO -0.04 -5.09 0.00 0.66 -1.46 0.00 0.00 175.22 169.29 2e85 n TYR 121 N 6.76 0.00 -2.06 10.12 4.02 -0.18 -4.97 117.16 130.84 2e85 n TYR 121 Ca 0.19 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.73 2e85 n TYR 121 Cb 0.40 -1.81 0.02 0.00 -0.02 0.00 0.00 39.34 37.94 2e85 n TYR 121 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2e85 s TYR 122 N -1.92 2.65 0.79 -0.72 1.51 -0.79 -4.92 117.35 113.96 2e85 s TYR 122 Ca 0.00 1.55 -0.11 0.00 -1.01 0.00 0.00 57.07 57.49 2e85 s TYR 122 Cb 0.00 -3.24 0.06 0.00 -0.11 0.00 0.00 41.96 38.67 2e85 s TYR 122 CO 0.00 -1.62 1.10 -1.25 -1.11 0.00 0.00 175.55 172.67 2e85 s PRO 123 N -3.61 2.15 0.23 -1.71 0.04 -1.26 -3.14 135.00 127.70 2e85 s PRO 123 Ca 0.70 0.64 -0.25 0.00 0.04 0.00 0.00 61.00 62.14 2e85 s PRO 123 Cb -0.22 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 2e85 s PRO 123 CO 0.33 -1.57 0.82 1.41 0.04 0.00 0.00 177.00 178.03 2e85 s MET 124 N -5.16 4.52 0.37 4.56 1.75 -1.26 -4.04 119.30 120.04 2e85 s MET 124 Ca 0.61 1.16 -0.06 0.00 -1.25 0.00 0.00 55.69 56.15 2e85 s MET 124 Cb -0.14 -3.06 -0.05 0.00 2.84 0.00 0.00 34.83 34.42 2e85 s MET 124 CO 0.54 0.45 0.67 0.95 -0.65 0.00 0.00 175.02 176.98 2e85 s THR 125 N -1.36 4.94 0.19 10.11 -4.23 -1.26 -4.95 115.64 119.09 2e85 s THR 125 Ca 0.42 0.19 -0.11 0.00 -1.18 0.00 0.00 61.69 61.00 2e85 s THR 125 Cb -0.21 -3.78 0.11 0.00 1.34 0.00 0.00 72.50 69.97 2e85 s THR 125 CO 0.25 -0.52 1.77 -0.61 -0.54 0.00 0.00 174.62 174.97 2e85 h GLN 126 N 1.13 0.48 -0.31 3.99 5.75 -1.99 -1.93 115.11 122.23 2e85 h GLN 126 Ca -0.48 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.08 2e85 h GLN 126 Cb 1.20 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.62 2e85 h GLN 126 CO 0.64 0.31 0.22 -1.35 -2.65 0.00 0.00 178.83 176.00 2e85 h PRO 127 N 0.49 0.05 0.09 -2.39 0.11 -1.95 -0.12 132.00 128.28 2e85 h PRO 127 Ca 0.26 -0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.10 2e85 h PRO 127 Cb 0.23 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.35 2e85 h PRO 127 CO -0.22 0.03 -1.16 0.82 -0.21 0.00 0.00 178.00 177.27 2e85 h ILE 128 N 0.05 1.38 -0.32 4.15 5.03 -1.68 -1.36 117.51 124.76 2e85 h ILE 128 Ca 0.14 -2.63 -0.00 0.00 -0.12 0.00 0.00 64.86 62.26 2e85 h ILE 128 Cb 0.52 2.69 -0.02 0.00 -3.03 0.00 0.00 36.82 36.98 2e85 h ILE 128 CO -0.01 0.78 0.19 0.11 -0.68 0.00 0.00 178.15 178.55 2e85 h LYS 129 N 0.20 0.43 -0.84 2.37 1.57 -0.84 -0.46 116.57 119.01 2e85 h LYS 129 Ca -0.14 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2e85 h LYS 129 Cb 1.84 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 34.00 2e85 h LYS 129 CO 0.21 0.33 0.53 -0.44 -0.57 0.00 0.00 179.45 179.50 2e85 h ASP 130 N 0.41 0.86 -0.61 0.86 3.32 -1.05 -1.80 116.42 118.41 2e85 h ASP 130 Ca 0.11 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 2e85 h ASP 130 Cb 0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2e85 h ASP 130 CO -0.02 0.57 0.05 0.00 -1.72 0.00 0.00 179.24 178.12 2e85 h ALA 131 N 1.37 0.81 -0.50 3.45 0.00 -0.69 -0.02 119.26 123.69 2e85 h ALA 131 Ca 0.35 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2e85 h ALA 131 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2e85 h ALA 131 CO -0.14 0.61 0.17 0.28 0.00 0.00 0.00 179.25 180.18 2e85 h VAL 132 N 0.94 1.22 -0.78 0.00 2.07 -0.82 -1.28 116.25 117.60 2e85 h VAL 132 Ca 0.18 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 67.03 2e85 h VAL 132 Cb 0.50 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 2e85 h VAL 132 CO 0.02 0.27 0.47 -0.08 0.02 0.00 0.00 177.57 178.27 2e85 h GLU 133 N 0.67 0.85 -0.36 1.57 4.57 -1.12 -0.92 114.58 119.83 2e85 h GLU 133 Ca 0.16 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2e85 h GLU 133 Cb 0.25 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 2e85 h GLU 133 CO -0.01 0.56 0.23 1.15 -1.18 0.00 0.00 179.01 179.76 2e85 h THR 134 N 0.87 1.08 -0.49 0.32 2.02 -0.32 -1.02 112.91 115.37 2e85 h THR 134 Ca 0.34 -0.16 -0.08 0.00 0.77 0.00 0.00 66.41 67.28 2e85 h THR 134 Cb 0.16 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 2e85 h THR 134 CO -0.17 0.09 -0.01 0.58 0.37 0.00 0.00 175.52 176.38 2e85 h VAL 135 N 0.48 1.26 -0.92 3.16 2.07 -1.07 -2.85 116.25 118.38 2e85 h VAL 135 Ca 0.13 -1.09 0.02 0.00 0.82 0.00 0.00 66.70 66.59 2e85 h VAL 135 Cb -0.04 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 2e85 h VAL 135 CO -0.04 0.38 0.60 0.22 0.02 0.00 0.00 177.57 178.76 2e85 h TYR 136 N 0.74 1.14 0.00 1.57 3.20 -0.82 -0.86 116.97 121.93 2e85 h TYR 136 Ca 0.14 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.04 2e85 h TYR 136 Cb 0.52 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2e85 h TYR 136 CO 0.04 0.69 0.00 1.04 -1.64 0.00 0.00 178.16 178.29 2e85 n GLN 137 N -4.47 0.01 0.00 1.82 1.13 -0.42 -2.30 117.38 113.15 2e85 n GLN 137 Ca 0.11 0.15 0.11 0.00 -1.94 0.00 0.00 57.00 55.43 2e85 n GLN 137 Cb 0.05 -1.52 -0.01 0.00 0.11 0.00 0.00 30.24 28.87 2e85 n GLN 137 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2e85 n ARG 138 N -1.55 0.76 -0.18 -1.09 1.74 -0.35 -4.46 116.66 111.53 2e85 n ARG 138 Ca 0.05 -0.61 -0.03 0.00 -0.77 0.00 0.00 57.85 56.49 2e85 n ARG 138 Cb 0.25 -1.49 0.17 0.00 -1.02 0.00 0.00 32.46 30.38 2e85 n ARG 138 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2e85 h LEU 139 N 1.49 0.87 -9.30 0.55 3.38 -1.20 -3.19 115.31 107.91 2e85 h LEU 139 Ca 0.00 -0.13 -0.55 0.00 0.09 0.00 0.00 57.88 57.29 2e85 h LEU 139 Cb 0.65 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2e85 h LEU 139 CO 0.00 0.79 0.75 -0.70 0.09 0.00 0.00 178.44 179.37 2e85 s GLU 140 N -5.40 4.32 -0.23 1.13 2.12 -1.26 -2.82 118.70 116.56 2e85 s GLU 140 Ca -0.11 1.72 0.00 0.00 0.36 0.00 0.00 54.97 56.95 2e85 s GLU 140 Cb 0.16 -3.59 0.00 0.00 0.26 0.00 0.00 34.13 30.96 2e85 s GLU 140 CO 0.81 -0.51 0.00 0.41 -0.54 0.00 0.00 175.26 175.43 2e85 n GLY 141 N 3.45 0.47 3.56 -1.50 0.00 -1.26 -4.95 105.19 104.96 2e85 n GLY 141 Ca 0.12 -0.14 -0.57 0.00 0.00 0.00 0.00 46.02 45.42 2e85 n GLY 141 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2e85 n TRP 142 N -2.60 1.06 -3.99 1.61 -0.00 -1.13 -4.99 117.44 107.41 2e85 n TRP 142 Ca -0.02 0.91 -0.13 0.00 -0.00 0.00 0.00 57.50 58.26 2e85 n TRP 142 Cb 0.24 -2.19 -0.13 0.00 -0.00 0.00 0.00 31.31 29.23 2e85 n TRP 142 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 2e85 s GLU 143 N 0.54 0.23 7.99 5.87 0.41 -1.26 -4.98 118.70 127.49 2e85 s GLU 143 Ca 0.90 -0.23 0.00 0.00 -0.41 0.00 0.00 54.97 55.23 2e85 s GLU 143 Cb -1.18 -0.13 0.00 0.00 -1.78 0.00 0.00 34.13 31.04 2e85 s GLU 143 CO 0.56 0.03 0.00 0.41 -0.49 0.00 0.00 175.26 175.77 2e85 n GLY 144 N 2.63 4.17 1.91 -1.39 0.00 -1.26 -1.15 105.19 110.10 2e85 n GLY 144 Ca -0.15 0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.96 2e85 n GLY 144 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2e85 n ASN 145 N 7.96 5.26 -0.91 1.61 3.02 -1.26 -4.93 115.26 126.01 2e85 n ASN 145 Ca 0.00 -3.02 -0.12 0.00 -0.03 0.00 0.00 54.58 51.41 2e85 n ASN 145 Cb 0.00 -0.71 -0.05 0.00 -0.61 0.00 0.00 39.78 38.41 2e85 n ASN 145 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2e85 n GLY 146 N 0.30 1.21 1.95 7.41 0.00 -0.30 -1.79 105.19 113.98 2e85 n GLY 146 Ca 0.32 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2e85 n GLY 146 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e85 n GLY 147 N -0.59 0.66 3.86 -0.02 0.00 -1.26 -4.95 105.19 102.89 2e85 n GLY 147 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2e85 n GLY 147 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e85 s PHE 148 N -2.44 3.40 0.45 1.61 0.08 -0.74 -5.07 117.98 115.28 2e85 s PHE 148 Ca 0.00 1.12 -0.21 0.00 0.12 0.00 0.00 56.93 57.96 2e85 s PHE 148 Cb 0.00 -2.47 -0.10 0.00 -0.57 0.00 0.00 43.02 39.88 2e85 s PHE 148 CO 0.00 0.07 0.99 0.00 -0.10 0.00 0.00 175.22 176.18 2e85 s ALA 149 N -2.05 2.97 0.22 5.36 0.00 -1.26 -4.75 121.76 122.25 2e85 s ALA 149 Ca 0.52 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.67 2e85 s ALA 149 Cb -0.10 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 2e85 s ALA 149 CO 0.21 -0.05 1.19 -1.14 0.00 0.00 0.00 175.76 175.98 2e85 s GLN 150 N -3.19 4.51 0.21 0.00 2.00 -1.26 -0.95 119.66 120.98 2e85 s GLN 150 Ca 0.64 1.89 -0.32 0.00 -2.00 0.00 0.00 55.36 55.57 2e85 s GLN 150 Cb -0.12 -3.21 -0.12 0.00 0.80 0.00 0.00 33.01 30.36 2e85 s GLN 150 CO 0.16 -0.04 1.73 -0.11 -0.50 0.00 0.00 175.29 176.53 2e85 n LEU 151 N 2.11 4.02 -4.51 3.68 0.00 0.36 -4.82 117.00 117.83 2e85 n LEU 151 Ca 0.03 1.06 -0.43 0.00 0.00 0.00 0.00 56.01 56.67 2e85 n LEU 151 Cb 0.44 -1.58 -0.05 0.00 0.00 0.00 0.00 43.42 42.24 2e85 n LEU 151 CO 0.56 0.19 0.66 0.00 0.00 0.00 0.00 177.39 178.80 2e85 s ALA 152 N 1.22 3.22 -0.11 1.96 0.00 -1.26 -4.82 121.76 121.97 2e85 s ALA 152 Ca 0.75 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 51.47 2e85 s ALA 152 Cb -0.50 -3.64 0.01 0.00 0.00 0.00 0.00 23.12 19.00 2e85 s ALA 152 CO 0.32 -2.25 -0.17 0.08 0.00 0.00 0.00 175.76 173.75 2e85 s VAL 153 N 3.64 1.61 -1.33 0.00 1.01 -1.26 -5.17 120.40 118.90 2e85 s VAL 153 Ca 0.28 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.65 2e85 s VAL 153 Cb -0.13 -1.46 0.08 0.00 0.00 0.00 0.00 36.38 34.87 2e85 s VAL 153 CO 0.19 0.46 0.84 -1.84 0.00 0.00 0.00 175.10 174.75