#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 -0.84 0.00 4.64 -2.01 -3.47 113.55 111.87 2e85 h SER -1 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 2e85 h SER -1 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 2e85 h SER -1 CO 0.00 0.41 -0.20 0.00 -0.87 0.00 0.00 176.83 176.17 2e85 n ALA 0 N -2.30 -0.20 -2.34 5.18 0.00 -1.26 -4.99 120.51 114.59 2e85 n ALA 0 Ca -0.00 0.11 -0.41 0.00 0.00 0.00 0.00 53.44 53.14 2e85 n ALA 0 Cb 0.54 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.39 4.59 0.00 0.00 1.01 -1.26 -4.94 120.40 117.41 2e85 s VAL 1 Ca 0.00 1.96 0.00 0.00 0.00 0.00 0.00 61.98 63.94 2e85 s VAL 1 Cb 0.00 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 32.11 2e85 s VAL 1 CO 0.00 0.31 0.00 0.35 0.00 0.00 0.00 175.10 175.76 2e85 n THR 2 N 2.90 0.00 -4.84 3.92 -2.24 -1.26 -4.59 114.28 108.18 2e85 n THR 2 Ca 0.01 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.47 2e85 n THR 2 Cb 0.50 -1.33 -0.13 0.00 -2.10 0.00 0.00 70.33 67.26 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 -4.95 4.05 -0.02 3.42 1.01 -1.26 -0.18 116.67 118.74 2e85 s ASP 3 Ca 0.00 -0.24 0.04 0.00 0.71 0.00 0.00 52.55 53.06 2e85 s ASP 3 Cb 0.00 -1.15 -0.00 0.00 1.01 0.00 0.00 42.92 42.77 2e85 s ASP 3 CO 0.00 0.28 -0.12 -0.69 0.21 0.00 0.00 175.17 174.84 2e85 s VAL 4 N -0.32 1.02 -0.24 -1.27 1.01 -0.55 -1.37 120.40 118.68 2e85 s VAL 4 Ca 0.03 -0.52 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 2e85 s VAL 4 Cb -0.13 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.42 2e85 s VAL 4 CO 0.03 0.30 -0.10 -0.22 0.00 0.00 0.00 175.10 175.10 2e85 s LEU 5 N -0.10 3.06 -0.31 3.92 2.96 0.04 -1.01 118.68 127.24 2e85 s LEU 5 Ca 0.01 -0.95 -0.14 0.00 -0.22 0.00 0.00 54.13 52.83 2e85 s LEU 5 Cb -0.07 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 2e85 s LEU 5 CO 0.00 -0.12 0.31 -0.22 -1.32 0.00 0.00 176.35 175.00 2e85 s LEU 6 N 1.27 4.26 -0.25 -0.68 2.96 0.39 -0.44 118.68 126.20 2e85 s LEU 6 Ca -0.01 -0.09 -0.13 0.00 -0.22 0.00 0.00 54.13 53.68 2e85 s LEU 6 Cb -0.17 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.20 2e85 s LEU 6 CO -0.06 -0.22 0.28 0.00 -1.32 0.00 0.00 176.35 175.03 2e85 s VAL 8 N 1.54 3.18 0.00 0.00 1.01 0.08 -0.73 120.40 125.48 2e85 s VAL 8 Ca 0.12 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.44 2e85 s VAL 8 Cb -0.15 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.95 2e85 s VAL 8 CO 0.08 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.36 2e85 n GLY 9 N 2.69 -0.27 2.73 4.51 0.00 0.25 -3.55 105.19 111.55 2e85 n GLY 9 Ca -0.18 -1.45 -0.25 0.00 0.00 0.00 0.00 46.02 44.14 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 0.00 2.30 0.59 1.61 3.84 -0.89 -2.82 114.94 119.57 2e85 s ASN 10 Ca 0.00 -0.50 0.36 0.00 0.21 0.00 0.00 52.86 52.93 2e85 s ASN 10 Cb 0.00 -0.47 1.79 0.00 -0.55 0.00 0.00 41.25 42.01 2e85 s ASN 10 CO 0.00 -0.27 2.15 0.28 -2.79 0.00 0.00 177.10 176.47 2e85 h SER 11 N 8.31 0.00 -0.29 -4.21 0.02 -1.86 -0.58 113.55 114.94 2e85 h SER 11 Ca -0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 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 0.30 0.03 0.00 0.23 -1.14 0.00 0.00 176.83 176.25 2e85 n MET 12 N -3.22 1.94 -2.19 3.45 2.81 -1.26 -4.05 117.12 114.61 2e85 n MET 12 Ca -0.01 -1.15 -0.15 0.00 -1.81 0.00 0.00 57.70 54.58 2e85 n MET 12 Cb 0.20 -1.39 0.04 0.00 -0.71 0.00 0.00 33.22 31.36 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 0.36 2.91 0.00 0.03 2.81 -0.24 -1.04 117.12 121.95 2e85 n MET 13 Ca 0.11 -3.90 0.00 0.00 -1.81 0.00 0.00 57.70 52.09 2e85 n MET 13 Cb 0.36 -2.01 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 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 -0.67 2.24 0.20 3.03 0.00 -1.20 -1.79 105.19 106.98 2e85 n GLY 14 Ca 0.31 -0.35 0.14 0.00 0.00 0.00 0.00 46.02 46.12 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 0.09 1.61 3.32 -0.95 0.24 116.42 120.74 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 -2.46 0.23 0.00 6.45 2.03 -0.74 -2.44 116.55 119.62 2e85 n ASP 16 Ca -0.01 0.60 0.08 0.00 0.52 0.00 0.00 54.79 55.98 2e85 n ASP 16 Cb 0.10 -0.63 0.48 0.00 -0.72 0.00 0.00 41.12 40.35 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 -1.20 -0.86 0.15 0.27 0.00 0.07 -2.10 105.19 101.53 2e85 n GLY 17 Ca -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 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 3.32 0.33 0.69 4.61 0.00 -1.72 0.35 119.26 126.84 2e85 h ALA 18 Ca 0.00 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2e85 h ALA 18 Cb 0.00 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2e85 h ALA 18 CO 0.00 -0.39 -0.44 0.78 0.00 0.00 0.00 179.25 179.21 2e85 h GLY 19 N 0.11 -1.23 -0.08 0.00 0.00 -1.73 -1.62 103.07 98.53 2e85 h GLY 19 Ca 0.17 0.50 0.25 0.00 0.00 0.00 0.00 47.33 48.26 2e85 h GLY 19 CO -0.28 -0.41 0.65 -2.55 0.00 0.00 0.00 176.54 173.95 2e85 h PRO 20 N -1.06 0.44 -0.44 4.80 0.11 -1.73 -0.86 132.00 133.25 2e85 h PRO 20 Ca -0.09 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.94 2e85 h PRO 20 Cb 0.85 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.84 2e85 h PRO 20 CO 0.09 0.29 0.09 1.25 -0.21 0.00 0.00 178.00 179.50 2e85 h LEU 21 N 0.45 0.69 -0.75 2.35 5.85 -0.61 -1.03 115.31 122.26 2e85 h LEU 21 Ca 0.59 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 59.11 2e85 h LEU 21 Cb 1.40 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 2e85 h LEU 21 CO -0.32 0.76 0.46 0.25 -0.34 0.00 0.00 178.44 179.25 2e85 h LEU 22 N 0.59 0.72 -0.66 2.25 5.85 -0.20 -0.76 115.31 123.11 2e85 h LEU 22 Ca 0.14 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2e85 h LEU 22 Cb 0.35 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2e85 h LEU 22 CO 0.01 0.48 0.41 0.00 -0.34 0.00 0.00 178.44 179.00 2e85 h ALA 23 N 1.34 0.86 -0.66 1.25 0.00 -1.07 -0.72 119.26 120.26 2e85 h ALA 23 Ca 0.31 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2e85 h ALA 23 Cb 0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2e85 h ALA 23 CO -0.14 0.17 0.31 0.93 0.00 0.00 0.00 179.25 180.51 2e85 h GLU 24 N 0.80 0.94 -0.28 0.00 3.07 -0.51 -0.34 114.58 118.26 2e85 h GLU 24 Ca 0.26 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2e85 h GLU 24 Cb 0.02 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.75 2e85 h GLU 24 CO -0.11 0.75 0.16 0.87 -1.40 0.00 0.00 179.01 179.29 2e85 h LYS 25 N 0.91 0.39 -0.81 2.33 1.57 -0.78 -2.07 116.57 118.12 2e85 h LYS 25 Ca 0.22 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 2e85 h LYS 25 Cb 0.12 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2e85 h LYS 25 CO -0.03 0.33 0.44 0.00 -0.57 0.00 0.00 179.45 179.62 2e85 h ALA 27 N 1.37 1.05 -0.01 0.00 0.00 -0.85 -1.71 119.26 119.10 2e85 h ALA 27 Ca 0.28 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 2e85 h ALA 27 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2e85 h ALA 27 CO -0.05 0.59 -0.80 0.00 0.00 0.00 0.00 179.25 179.00 2e85 h ALA 28 N 1.20 0.63 -1.29 0.00 0.00 -1.10 -3.42 119.26 115.29 2e85 h ALA 28 Ca 0.15 -0.69 -0.20 0.00 0.00 0.00 0.00 54.91 54.18 2e85 h ALA 28 Cb 0.48 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 17.96 2e85 h ALA 28 CO 0.02 0.90 -0.56 0.00 0.00 0.00 0.00 179.25 179.61 2e85 s ALA 29 N -3.31 -1.59 0.46 0.00 0.00 -0.35 -5.11 121.76 111.86 2e85 s ALA 29 Ca -0.02 -0.47 -0.23 0.00 0.00 0.00 0.00 51.96 51.23 2e85 s ALA 29 Cb 0.11 -2.51 -0.09 0.00 0.00 0.00 0.00 23.12 20.63 2e85 s ALA 29 CO 0.81 -2.19 1.07 -2.30 0.00 0.00 0.00 175.76 173.15 2e85 n PRO 30 N 3.70 1.40 -4.56 0.00 -0.02 -0.66 -4.42 135.00 130.44 2e85 n PRO 30 Ca 0.15 0.51 -0.23 0.00 -2.02 0.00 0.00 63.50 61.91 2e85 n PRO 30 Cb 0.54 -2.16 -0.16 0.00 -0.02 0.00 0.00 33.50 31.70 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 -2.23 1.32 1.93 -0.52 -0.14 -1.26 -5.07 119.74 113.77 2e85 s LYS 31 Ca 0.65 -0.41 0.00 0.00 -1.36 0.00 0.00 55.97 54.85 2e85 s LYS 31 Cb -0.51 -1.18 0.00 0.00 -1.68 0.00 0.00 37.83 34.46 2e85 s LYS 31 CO 0.55 0.14 0.00 0.41 -0.76 0.00 0.00 175.35 175.69 2e85 n GLY 32 N 3.32 -1.00 1.51 -3.33 0.00 -1.26 -4.06 105.19 100.38 2e85 n GLY 32 Ca -0.19 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.15 4.45 -4.72 1.61 3.02 -1.26 -5.01 115.26 112.20 2e85 n ASN 33 Ca 0.00 -2.25 -0.42 0.00 -0.03 0.00 0.00 54.58 51.88 2e85 n ASN 33 Cb 0.00 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.59 2e85 n ASN 33 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2e85 s TRP 34 N -1.48 3.17 -0.23 3.10 0.52 -1.26 -4.47 118.94 118.29 2e85 s TRP 34 Ca 0.51 0.86 -0.26 0.00 0.02 0.00 0.00 56.10 57.23 2e85 s TRP 34 Cb 0.30 -3.77 -0.00 0.00 -1.15 0.00 0.00 33.47 28.85 2e85 s TRP 34 CO 0.29 -2.72 0.88 0.08 0.02 0.00 0.00 176.95 175.49 2e85 s VAL 35 N 1.01 4.81 -0.26 4.03 1.01 -0.47 -4.90 120.40 125.63 2e85 s VAL 35 Ca 0.66 1.69 -0.08 0.00 0.00 0.00 0.00 61.98 64.24 2e85 s VAL 35 Cb -0.39 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 31.78 2e85 s VAL 35 CO 0.32 -0.08 0.11 -0.69 0.00 0.00 0.00 175.10 174.75 2e85 s VAL 36 N 2.81 4.62 -0.26 2.92 1.01 -1.26 -0.78 120.40 129.45 2e85 s VAL 36 Ca 0.38 -0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.19 2e85 s VAL 36 Cb -0.15 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 2e85 s VAL 36 CO 0.08 0.31 0.16 -0.63 0.00 0.00 0.00 175.10 175.03 2e85 s ILE 37 N 1.64 5.21 -1.30 2.22 -1.09 0.42 -4.98 121.20 123.32 2e85 s ILE 37 Ca 0.07 0.13 -0.16 0.00 -2.23 0.00 0.00 60.65 58.45 2e85 s ILE 37 Cb -0.15 -3.46 0.09 0.00 -1.58 0.00 0.00 42.46 37.36 2e85 s ILE 37 CO 0.06 0.30 1.75 -0.67 -1.23 0.00 0.00 174.94 175.14 2e85 n ASP 38 N 4.74 4.87 0.00 3.58 -0.08 -1.26 -0.46 116.55 127.94 2e85 n ASP 38 Ca -0.15 -2.93 0.11 0.00 -1.51 0.00 0.00 54.79 50.32 2e85 n ASP 38 Cb 0.52 -1.69 0.50 0.00 2.34 0.00 0.00 41.12 42.78 2e85 n ASP 38 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2e85 n GLY 39 N 4.89 -1.27 7.00 0.27 0.00 0.09 -4.98 105.19 111.19 2e85 n GLY 39 Ca 0.47 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2e85 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e85 n GLY 40 N 0.86 0.68 0.21 -0.02 0.00 -1.23 -3.89 105.19 101.79 2e85 n GLY 40 Ca 0.06 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.31 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 7.18 0.29 -3.43 1.61 0.02 -1.90 0.73 113.55 118.05 2e85 h SER 41 Ca 0.00 -0.11 -0.46 0.00 -0.84 0.00 0.00 61.79 60.37 2e85 h SER 41 Cb 0.00 -0.08 -0.34 0.00 0.14 0.00 0.00 62.40 62.12 2e85 h SER 41 CO 0.00 0.63 -0.79 0.00 -1.14 0.00 0.00 176.83 175.53 2e85 s ALA 42 N -4.25 0.98 -0.49 3.77 0.00 -1.25 -4.58 121.76 115.95 2e85 s ALA 42 Ca -0.05 -0.25 0.26 0.00 0.00 0.00 0.00 51.96 51.92 2e85 s ALA 42 Cb 0.14 -0.51 0.79 0.00 0.00 0.00 0.00 23.12 23.54 2e85 s ALA 42 CO 0.77 0.04 1.75 -1.00 0.00 0.00 0.00 175.76 177.32 2e85 h PRO 43 N 7.11 0.00 -0.75 0.00 0.13 -1.84 -3.37 132.00 133.28 2e85 h PRO 43 Ca -0.34 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.93 2e85 h PRO 43 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.20 2e85 h PRO 43 CO 0.47 0.00 0.30 0.93 -0.23 0.00 0.00 178.00 179.47 2e85 h GLU 44 N 0.00 0.43 -0.28 0.86 3.07 -1.95 -0.48 114.58 116.22 2e85 h GLU 44 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 2e85 h GLU 44 Cb 0.71 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 2e85 h GLU 44 CO 0.00 0.28 0.00 0.27 -1.40 0.00 0.00 179.01 178.16 2e85 n ASN 45 N -5.00 1.59 -0.00 1.42 6.94 -1.26 -3.23 115.26 115.72 2e85 n ASN 45 Ca 0.14 -1.95 0.08 0.00 -0.02 0.00 0.00 54.58 52.83 2e85 n ASN 45 Cb 0.41 -0.19 -0.10 0.00 -2.36 0.00 0.00 39.78 37.55 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 0.36 0.80 -0.13 0.53 8.00 -0.19 -4.62 116.55 121.29 2e85 n ASP 46 Ca 0.11 -0.81 -0.09 0.00 0.71 0.00 0.00 54.79 54.71 2e85 n ASP 46 Cb 0.26 1.07 -0.01 0.00 -0.02 0.00 0.00 41.12 42.42 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 1.18 -0.77 0.53 2.04 -1.52 -2.47 117.51 116.49 2e85 h ILE 47 Ca 0.00 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.36 2e85 h ILE 47 Cb 0.42 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2e85 h ILE 47 CO 0.00 0.19 0.51 0.58 0.00 0.00 0.00 178.15 179.43 2e85 h VAL 48 N 0.47 1.17 -0.38 1.67 2.07 -1.82 -0.61 116.25 118.83 2e85 h VAL 48 Ca 0.13 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 2e85 h VAL 48 Cb 0.14 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 2e85 h VAL 48 CO -0.01 0.19 -0.08 0.00 0.02 0.00 0.00 177.57 177.68 2e85 h ALA 49 N 1.30 0.52 -0.68 1.67 0.00 -1.85 -1.67 119.26 118.55 2e85 h ALA 49 Ca 0.29 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2e85 h ALA 49 Cb -0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2e85 h ALA 49 CO -0.08 0.37 0.42 0.82 0.00 0.00 0.00 179.25 180.78 2e85 h ILE 50 N 0.52 1.08 -0.57 0.00 1.08 -0.97 -0.66 117.51 117.99 2e85 h ILE 50 Ca 0.10 -0.28 -0.10 0.00 -0.39 0.00 0.00 64.86 64.19 2e85 h ILE 50 Cb 0.59 0.19 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 2e85 h ILE 50 CO 0.04 0.15 -0.03 -0.09 -0.69 0.00 0.00 178.15 177.53 2e85 h ARG 51 N 0.82 1.02 -0.12 2.37 2.43 -0.94 -2.67 114.38 117.29 2e85 h ARG 51 Ca 0.27 -0.33 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 2e85 h ARG 51 Cb 0.03 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 2e85 h ARG 51 CO -0.11 1.01 -0.35 0.93 -1.51 0.00 0.00 179.97 179.94 2e85 h GLU 52 N 0.92 0.24 0.00 0.20 4.39 -0.98 -2.33 114.58 117.02 2e85 h GLU 52 Ca 0.16 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 2e85 h GLU 52 Cb 0.57 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2e85 h GLU 52 CO 0.03 0.56 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.37 2e85 h LEU 53 N 0.21 0.00 -1.61 1.33 3.38 -0.77 -3.47 115.31 114.38 2e85 h LEU 53 Ca 0.03 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.55 2e85 h LEU 53 Cb 0.72 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.47 2e85 h LEU 53 CO 0.05 0.01 -0.83 0.54 0.09 0.00 0.00 178.44 178.31 2e85 n ARG 54 N -3.12 -4.69 -1.28 1.13 1.74 -0.88 -4.73 116.66 104.83 2e85 n ARG 54 Ca -0.01 0.57 -0.30 0.00 -0.77 0.00 0.00 57.85 57.33 2e85 n ARG 54 Cb 0.20 -5.12 0.12 0.00 -1.02 0.00 0.00 32.46 26.63 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 -6.25 1.69 0.02 5.56 0.04 -1.26 -4.82 135.00 129.98 2e85 s PRO 55 Ca 0.17 0.88 0.22 0.00 0.04 0.00 0.00 61.00 62.31 2e85 s PRO 55 Cb -0.09 -1.85 -0.21 0.00 0.04 0.00 0.00 34.50 32.39 2e85 s PRO 55 CO 0.83 -1.96 0.71 0.25 0.04 0.00 0.00 177.00 176.88 2e85 n THR 56 N -3.70 0.11 -3.73 1.26 -2.24 0.74 -4.68 114.28 102.04 2e85 n THR 56 Ca 0.07 -0.39 -0.12 0.00 -2.27 0.00 0.00 64.05 61.35 2e85 n THR 56 Cb 0.55 0.14 -0.12 0.00 -2.10 0.00 0.00 70.33 68.80 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 -3.37 0.29 -0.11 -0.78 3.52 -0.95 -3.24 118.95 114.32 2e85 s ARG 57 Ca -0.03 0.56 0.02 0.00 -0.13 0.00 0.00 55.73 56.15 2e85 s ARG 57 Cb 0.14 -0.02 0.01 0.00 -1.56 0.00 0.00 34.95 33.52 2e85 s ARG 57 CO 0.87 -0.13 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.91 2e85 s LEU 58 N 0.98 1.71 -0.18 -0.88 2.96 -0.07 -1.48 118.68 121.73 2e85 s LEU 58 Ca -0.07 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.38 2e85 s LEU 58 Cb -0.08 -1.08 -0.02 0.00 0.50 0.00 0.00 46.19 45.51 2e85 s LEU 58 CO -0.07 0.01 -0.03 -0.22 -1.32 0.00 0.00 176.35 174.72 2e85 s LEU 59 N 0.99 3.17 -0.16 -0.68 2.96 -0.18 -0.33 118.68 124.45 2e85 s LEU 59 Ca -0.07 -0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.62 2e85 s LEU 59 Cb -0.15 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 2e85 s LEU 59 CO -0.02 0.11 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.41 2e85 s ILE 60 N 0.72 3.36 -0.13 6.68 1.01 0.23 -0.46 121.20 132.62 2e85 s ILE 60 Ca -0.02 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.12 2e85 s ILE 60 Cb -0.14 -2.45 0.01 0.00 0.01 0.00 0.00 42.46 39.88 2e85 s ILE 60 CO 0.02 0.50 -0.22 -0.69 0.00 0.00 0.00 174.94 174.55 2e85 s VAL 61 N 0.57 2.03 -0.18 2.92 1.01 -0.40 -0.13 120.40 126.22 2e85 s VAL 61 Ca -0.06 -0.97 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 2e85 s VAL 61 Cb -0.15 -1.78 0.05 0.00 0.00 0.00 0.00 36.38 34.50 2e85 s VAL 61 CO 0.03 0.55 0.46 -0.62 0.00 0.00 0.00 175.10 175.51 2e85 s ASP 62 N 0.69 -0.54 0.09 3.32 2.15 -0.74 -0.74 116.67 120.91 2e85 s ASP 62 Ca -0.10 0.96 -0.31 0.00 0.43 0.00 0.00 52.55 53.53 2e85 s ASP 62 Cb -0.16 0.91 -0.08 0.00 -0.30 0.00 0.00 42.92 43.28 2e85 s ASP 62 CO 0.01 -0.18 1.56 0.00 -0.17 0.00 0.00 175.17 176.38 2e85 s ALA 63 N 0.86 3.68 -0.12 3.66 0.00 -1.26 -1.69 121.76 126.89 2e85 s ALA 63 Ca -0.05 1.19 -0.08 0.00 0.00 0.00 0.00 51.96 53.01 2e85 s ALA 63 Cb -0.06 -3.64 0.04 0.00 0.00 0.00 0.00 23.12 19.46 2e85 s ALA 63 CO -0.07 -0.92 0.29 0.95 0.00 0.00 0.00 175.76 176.01 2e85 s THR 64 N 2.00 -0.02 -0.15 0.00 -4.23 0.02 -4.86 115.64 108.40 2e85 s THR 64 Ca 0.70 0.07 -0.29 0.00 -1.18 0.00 0.00 61.69 60.98 2e85 s THR 64 Cb -0.39 -0.43 -0.01 0.00 1.34 0.00 0.00 72.50 73.01 2e85 s THR 64 CO 0.31 0.03 1.20 -0.62 -0.54 0.00 0.00 174.62 174.99 2e85 s ASP 65 N 0.74 7.01 0.00 3.99 2.15 -1.26 -4.10 116.67 125.20 2e85 s ASP 65 Ca -0.05 1.65 0.00 0.00 0.43 0.00 0.00 52.55 54.58 2e85 s ASP 65 Cb -0.06 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2e85 s ASP 65 CO -0.05 -0.70 0.69 0.23 -0.17 0.00 0.00 175.17 175.17 2e85 n MET 66 N 6.22 0.85 -1.56 4.34 2.81 -1.26 -4.99 117.12 123.53 2e85 n MET 66 Ca 0.13 -0.90 -0.07 0.00 -1.81 0.00 0.00 57.70 55.04 2e85 n MET 66 Cb 0.45 -0.94 -0.02 0.00 -0.71 0.00 0.00 33.22 32.00 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 -0.22 0.62 3.96 3.03 0.00 -1.26 -5.04 105.19 106.28 2e85 n GLY 67 Ca 0.00 -0.66 -0.22 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.87 3.00 0.48 0.99 1.43 -1.26 -5.10 118.68 116.36 2e85 s LEU 68 Ca 0.00 -0.98 -0.22 0.00 -1.03 0.00 0.00 54.13 51.89 2e85 s LEU 68 Cb 0.00 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 44.61 2e85 s LEU 68 CO 0.00 -1.13 1.21 0.20 0.23 0.00 0.00 176.35 176.86 2e85 s ASN 69 N -4.42 5.95 0.25 2.29 0.01 -1.26 -4.94 114.94 112.82 2e85 s ASN 69 Ca 0.48 2.40 -0.31 0.00 -0.71 0.00 0.00 52.86 54.72 2e85 s ASN 69 Cb -0.04 -2.61 -0.14 0.00 0.41 0.00 0.00 41.25 38.87 2e85 s ASN 69 CO 0.30 -1.08 1.31 -2.65 -1.51 0.00 0.00 177.10 173.47 2e85 n PRO 70 N -0.65 1.82 0.00 -0.60 -0.02 -1.26 -2.08 135.00 132.21 2e85 n PRO 70 Ca 0.08 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 2e85 n PRO 70 Cb 0.47 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.85 1.54 3.77 -1.23 0.00 -0.13 -4.80 105.19 106.19 2e85 n GLY 71 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.51 3.99 -0.10 1.61 0.41 -0.89 -4.62 118.70 118.58 2e85 s GLU 72 Ca 0.00 2.39 0.03 0.00 -0.41 0.00 0.00 54.97 56.98 2e85 s GLU 72 Cb 0.00 -2.85 -0.01 0.00 -1.78 0.00 0.00 34.13 29.49 2e85 s GLU 72 CO 0.00 -0.56 -0.19 0.42 -0.49 0.00 0.00 175.26 174.44 2e85 s ILE 73 N -1.18 2.51 0.02 -1.63 -1.09 -1.26 -0.97 121.20 117.61 2e85 s ILE 73 Ca 0.55 -0.87 -0.04 0.00 -2.23 0.00 0.00 60.65 58.07 2e85 s ILE 73 Cb -0.43 -2.00 -0.01 0.00 -1.58 0.00 0.00 42.46 38.44 2e85 s ILE 73 CO 0.57 0.55 0.05 -0.13 -1.23 0.00 0.00 174.94 174.75 2e85 s ARG 74 N 0.21 0.47 -0.11 2.79 1.81 -0.49 -4.53 118.95 119.11 2e85 s ARG 74 Ca -0.12 -0.66 -0.19 0.00 -1.72 0.00 0.00 55.73 53.04 2e85 s ARG 74 Cb -0.16 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.48 2e85 s ARG 74 CO 0.07 -0.10 0.53 0.42 -0.68 0.00 0.00 175.30 175.53 2e85 s ILE 75 N -2.03 5.16 -0.30 1.52 -1.09 0.01 -0.76 121.20 123.69 2e85 s ILE 75 Ca -0.10 1.07 -0.10 0.00 -2.23 0.00 0.00 60.65 59.28 2e85 s ILE 75 Cb -0.05 -3.87 -0.02 0.00 -1.58 0.00 0.00 42.46 36.94 2e85 s ILE 75 CO -0.02 0.31 0.17 -0.63 -1.23 0.00 0.00 174.94 173.53 2e85 s ILE 76 N 0.67 4.86 0.40 2.92 1.09 -0.32 -0.32 121.20 130.51 2e85 s ILE 76 Ca 0.29 -0.22 -0.26 0.00 -1.10 0.00 0.00 60.65 59.36 2e85 s ILE 76 Cb -0.16 -3.42 -0.08 0.00 -1.06 0.00 0.00 42.46 37.74 2e85 s ILE 76 CO 0.12 0.12 1.23 -1.81 -0.10 0.00 0.00 174.94 174.51 2e85 s ASP 77 N 1.67 6.40 0.38 3.58 -0.00 -1.26 -4.45 116.67 122.98 2e85 s ASP 77 Ca 0.06 2.50 0.16 0.00 -0.00 0.00 0.00 52.55 55.26 2e85 s ASP 77 Cb -0.17 -2.63 1.05 0.00 -0.00 0.00 0.00 42.92 41.17 2e85 s ASP 77 CO 0.08 -0.77 1.77 -0.65 -0.00 0.00 0.00 175.17 175.59 2e85 h PRO 78 N 2.64 0.43 -0.83 8.23 0.11 -1.97 0.16 132.00 140.77 2e85 h PRO 78 Ca -0.49 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.64 2e85 h PRO 78 Cb 1.24 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 2e85 h PRO 78 CO 0.62 0.29 0.52 0.22 -0.21 0.00 0.00 178.00 179.44 2e85 h ASP 79 N 0.45 0.85 0.36 -2.05 -0.00 -2.00 -1.54 116.42 112.49 2e85 h ASP 79 Ca 0.60 0.01 -0.21 0.00 -0.00 0.00 0.00 57.03 57.42 2e85 h ASP 79 Cb 1.42 -0.17 -0.00 0.00 -0.00 0.00 0.00 39.33 40.57 2e85 h ASP 79 CO -0.33 0.56 -0.90 0.44 -0.00 0.00 0.00 179.24 179.01 2e85 h ASP 80 N 0.99 0.48 -0.71 2.28 3.32 -1.10 -1.24 116.42 120.44 2e85 h ASP 80 Ca 0.35 -0.38 0.07 0.00 0.02 0.00 0.00 57.03 57.09 2e85 h ASP 80 Cb 0.09 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.43 2e85 h ASP 80 CO -0.14 1.17 0.39 0.40 -1.72 0.00 0.00 179.24 179.34 2e85 h ILE 81 N 0.22 0.95 -0.05 0.35 1.08 -0.77 0.14 117.51 119.43 2e85 h ILE 81 Ca -0.07 -0.24 -0.01 0.00 -0.39 0.00 0.00 64.86 64.15 2e85 h ILE 81 Cb 1.52 0.18 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 2e85 h ILE 81 CO 0.15 0.13 0.00 0.00 -0.69 0.00 0.00 178.15 177.74 2e85 h ALA 82 N 1.37 0.07 -0.42 1.87 0.00 -1.10 -2.96 119.26 118.09 2e85 h ALA 82 Ca 0.32 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 2e85 h ALA 82 Cb 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2e85 h ALA 82 CO -0.20 -0.26 0.03 0.93 0.00 0.00 0.00 179.25 179.75 2e85 h GLU 83 N -0.20 0.67 0.00 0.00 5.08 -0.96 -2.48 114.58 116.69 2e85 h GLU 83 Ca 0.01 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2e85 h GLU 83 Cb 0.33 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2e85 h GLU 83 CO 0.00 0.66 0.00 -1.33 -1.00 0.00 0.00 179.01 177.35 2e85 n MET 84 N -4.26 0.06 -3.91 2.33 2.81 0.01 -4.93 117.12 109.24 2e85 n MET 84 Ca 0.02 0.18 -0.27 0.00 -1.81 0.00 0.00 57.70 55.82 2e85 n MET 84 Cb 0.25 -1.58 0.01 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.68 -1.90 -1.91 2.03 3.72 -0.93 -4.92 117.46 111.86 2e85 n PHE 85 Ca 0.05 0.82 -0.42 0.00 -0.05 0.00 0.00 57.45 57.85 2e85 n PHE 85 Cb 0.27 -3.89 -0.03 0.00 -0.94 0.00 0.00 39.48 34.90 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 -6.45 4.20 0.10 -1.08 -1.94 -1.13 -4.94 119.30 108.06 2e85 s MET 86 Ca 0.27 2.41 0.10 0.00 -1.71 0.00 0.00 55.69 56.76 2e85 s MET 86 Cb -0.14 -3.11 -0.04 0.00 2.01 0.00 0.00 34.83 33.55 2e85 s MET 86 CO 0.86 -0.58 -0.25 -1.64 -0.01 0.00 0.00 175.02 173.40 2e85 s MET 87 N 0.49 1.60 1.00 2.03 1.00 -1.26 -0.60 119.30 123.56 2e85 s MET 87 Ca 0.67 -1.24 -0.15 0.00 0.00 0.00 0.00 55.69 54.97 2e85 s MET 87 Cb -0.45 -1.96 0.19 0.00 0.00 0.00 0.00 34.83 32.61 2e85 s MET 87 CO 0.37 0.48 1.16 0.95 0.00 0.00 0.00 175.02 177.98 2e85 s THR 88 N -0.98 1.90 0.29 2.05 -4.23 0.21 -4.85 115.64 110.01 2e85 s THR 88 Ca 0.14 0.00 0.34 0.00 -1.18 0.00 0.00 61.69 60.98 2e85 s THR 88 Cb -0.10 -2.70 0.34 0.00 1.34 0.00 0.00 72.50 71.38 2e85 s THR 88 CO 0.05 0.00 2.03 0.00 -0.54 0.00 0.00 174.62 176.16 2e85 h THR 89 N -1.85 0.00 -0.62 3.99 1.03 -1.90 -0.49 112.91 113.07 2e85 h THR 89 Ca -0.49 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.91 2e85 h THR 89 Cb 1.31 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 69.13 2e85 h THR 89 CO 0.50 0.00 0.00 1.41 -0.01 0.00 0.00 175.52 177.42 2e85 n HIS 90 N -2.70 1.09 -2.64 0.00 8.25 -1.26 -4.95 115.22 113.01 2e85 n HIS 90 Ca -0.02 -0.56 -0.21 0.00 -0.26 0.00 0.00 57.72 56.66 2e85 n HIS 90 Cb 0.07 -0.11 0.01 0.00 1.12 0.00 0.00 29.99 31.08 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 1.16 -5.99 -4.71 0.41 5.03 -0.19 -5.01 115.26 105.95 2e85 n ASN 91 Ca 0.23 -0.12 -0.40 0.00 0.87 0.00 0.00 54.58 55.16 2e85 n ASN 91 Cb 0.71 -4.93 -0.05 0.00 -1.02 0.00 0.00 39.78 34.49 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 -5.30 4.43 0.17 3.52 -2.45 -1.26 -4.84 119.30 113.56 2e85 s MET 92 Ca 0.12 0.86 -0.32 0.00 -1.25 0.00 0.00 55.69 55.10 2e85 s MET 92 Cb -0.05 -3.45 -0.11 0.00 1.25 0.00 0.00 34.83 32.47 2e85 s MET 92 CO 0.14 0.05 1.71 -2.14 1.05 0.00 0.00 175.02 175.84 2e85 s PRO 93 N 0.85 4.15 0.40 4.11 0.02 -1.26 -0.62 135.00 142.65 2e85 s PRO 93 Ca 0.37 2.53 0.08 0.00 0.02 0.00 0.00 61.00 64.00 2e85 s PRO 93 Cb -0.18 -3.27 0.83 0.00 0.02 0.00 0.00 34.50 31.91 2e85 s PRO 93 CO 0.18 -0.74 1.99 1.25 -0.33 0.00 0.00 177.00 179.34 2e85 h LEU 94 N 7.42 0.34 -1.36 -5.54 5.85 -1.18 -2.93 115.31 117.92 2e85 h LEU 94 Ca -0.44 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 2e85 h LEU 94 Cb 1.21 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2e85 h LEU 94 CO 0.94 0.36 0.15 -0.55 -0.34 0.00 0.00 178.44 179.00 2e85 h ASN 95 N 0.38 0.53 -0.47 1.25 -1.07 -1.82 -1.27 115.58 113.10 2e85 h ASN 95 Ca 0.09 -0.06 -0.02 0.00 0.07 0.00 0.00 56.30 56.39 2e85 h ASN 95 Cb 0.16 -0.14 -0.02 0.00 -2.07 0.00 0.00 38.32 36.25 2e85 h ASN 95 CO -0.00 0.49 0.23 1.88 0.07 0.00 0.00 177.43 180.10 2e85 h TYR 96 N 0.58 0.67 -0.22 4.14 -1.99 -1.92 0.13 116.97 118.37 2e85 h TYR 96 Ca 0.14 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.82 2e85 h TYR 96 Cb 0.14 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 38.65 2e85 h TYR 96 CO 0.01 0.54 0.07 -0.07 -0.00 0.00 0.00 178.16 178.70 2e85 h LEU 97 N 0.62 0.32 -0.41 3.88 3.38 -1.42 -2.02 115.31 119.66 2e85 h LEU 97 Ca 0.16 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2e85 h LEU 97 Cb 0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2e85 h LEU 97 CO -0.02 0.44 0.05 0.40 0.09 0.00 0.00 178.44 179.40 2e85 h ILE 98 N 0.19 1.25 -0.67 1.22 1.08 -1.20 -0.82 117.51 118.55 2e85 h ILE 98 Ca 0.07 -0.90 -0.04 0.00 -0.39 0.00 0.00 64.86 63.59 2e85 h ILE 98 Cb 0.24 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.99 2e85 h ILE 98 CO -0.00 0.31 0.24 -0.78 -0.69 0.00 0.00 178.15 177.23 2e85 h ASP 99 N 0.54 0.92 -0.09 1.72 -0.00 -0.70 -0.41 116.42 118.40 2e85 h ASP 99 Ca 0.12 -0.14 -0.22 0.00 -0.00 0.00 0.00 57.03 56.79 2e85 h ASP 99 Cb 0.39 -0.24 0.01 0.00 -0.00 0.00 0.00 39.33 39.49 2e85 h ASP 99 CO 0.01 0.84 -0.77 -0.61 -0.00 0.00 0.00 179.24 178.72 2e85 h GLN 100 N 0.97 0.74 -0.53 0.28 5.75 -1.25 -2.78 115.11 118.30 2e85 h GLN 100 Ca 0.22 -0.60 0.05 0.00 -0.15 0.00 0.00 58.65 58.18 2e85 h GLN 100 Cb 0.23 0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 2e85 h GLN 100 CO -0.01 1.21 0.26 -0.07 -2.65 0.00 0.00 178.83 177.57 2e85 h LEU 101 N 0.51 0.36 -1.48 -2.39 3.38 -0.95 -2.09 115.31 112.65 2e85 h LEU 101 Ca -0.05 0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.13 2e85 h LEU 101 Cb 1.39 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 42.05 2e85 h LEU 101 CO 0.15 0.24 0.56 0.11 0.09 0.00 0.00 178.44 179.60 2e85 h LYS 102 N 0.50 0.46 -0.32 1.13 1.57 -0.93 0.12 116.57 119.10 2e85 h LYS 102 Ca 0.24 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.85 2e85 h LYS 102 Cb 0.18 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 2e85 h LYS 102 CO -0.18 0.31 -0.39 1.49 -0.57 0.00 0.00 179.45 180.11 2e85 h GLU 103 N 0.48 0.77 0.00 3.15 4.81 -1.12 -1.42 114.58 121.26 2e85 h GLU 103 Ca 0.43 -0.40 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 2e85 h GLU 103 Cb 0.96 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 2e85 h GLU 103 CO -0.17 1.02 -0.70 -0.44 -0.73 0.00 0.00 179.01 178.00 2e85 h ASP 104 N 0.63 0.00 0.00 1.04 3.32 -0.79 -3.41 116.42 117.22 2e85 h ASP 104 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2e85 h ASP 104 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.49 2e85 h ASP 104 CO 0.09 0.36 -0.97 -0.38 -1.72 0.00 0.00 179.24 176.62 2e85 n ILE 105 N -3.05 0.00 0.00 0.35 -0.00 0.33 -4.92 119.36 112.07 2e85 n ILE 105 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.74 2e85 n ILE 105 Cb 0.70 -0.90 0.00 0.00 -0.00 0.00 0.00 39.64 39.43 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 3.23 1.85 3.60 7.39 0.00 -0.53 -4.48 105.19 116.25 2e85 n GLY 106 Ca 0.00 -0.72 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 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 0.00 3.96 -0.06 1.61 2.12 -1.20 -4.65 118.70 120.48 2e85 s GLU 107 Ca 0.00 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.40 2e85 s GLU 107 Cb 0.00 -3.68 0.02 0.00 0.26 0.00 0.00 34.13 30.73 2e85 s GLU 107 CO 0.00 -0.34 -0.06 0.08 -0.54 0.00 0.00 175.26 174.40 2e85 s VAL 108 N 2.15 0.70 -0.12 3.70 1.01 -1.26 -0.90 120.40 125.69 2e85 s VAL 108 Ca 0.17 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.98 2e85 s VAL 108 Cb -0.16 -0.72 0.01 0.00 0.00 0.00 0.00 36.38 35.52 2e85 s VAL 108 CO 0.10 0.27 -0.18 -0.63 0.00 0.00 0.00 175.10 174.66 2e85 s ILE 109 N 1.07 1.77 -0.28 2.22 1.09 0.55 -4.98 121.20 122.64 2e85 s ILE 109 Ca -0.08 -0.80 -0.06 0.00 -1.10 0.00 0.00 60.65 58.61 2e85 s ILE 109 Cb -0.14 -1.59 0.01 0.00 -1.06 0.00 0.00 42.46 39.68 2e85 s ILE 109 CO -0.01 0.49 0.05 0.12 -0.10 0.00 0.00 174.94 175.49 2e85 s PHE 110 N 0.91 3.12 -0.22 3.97 5.36 -1.26 -0.60 117.98 129.26 2e85 s PHE 110 Ca -0.07 -1.05 -0.05 0.00 -0.96 0.00 0.00 56.93 54.80 2e85 s PHE 110 Cb -0.15 -2.21 -0.02 0.00 -0.34 0.00 0.00 43.02 40.30 2e85 s PHE 110 CO -0.02 -0.59 -0.00 -1.17 -1.46 0.00 0.00 175.22 171.98 2e85 s LEU 111 N 1.47 3.15 -0.09 6.12 0.20 0.81 -1.18 118.68 129.17 2e85 s LEU 111 Ca 0.02 -0.27 -0.02 0.00 0.69 0.00 0.00 54.13 54.55 2e85 s LEU 111 Cb -0.17 -1.81 -0.03 0.00 -0.43 0.00 0.00 46.19 43.75 2e85 s LEU 111 CO 0.01 0.02 0.02 -0.83 -0.29 0.00 0.00 176.35 175.27 2e85 s GLY 112 N 1.29 1.89 -0.13 7.98 0.00 0.06 -1.80 107.32 116.61 2e85 s GLY 112 Ca 0.04 -0.78 0.02 0.00 0.00 0.00 0.00 44.72 43.99 2e85 s GLY 112 CO 0.00 -0.55 -0.20 -0.42 0.00 0.00 0.00 173.10 171.94 2e85 s ILE 113 N -0.90 2.38 -0.23 0.90 1.09 -0.69 -1.40 121.20 122.35 2e85 s ILE 113 Ca 0.14 -0.89 -0.29 0.00 -1.10 0.00 0.00 60.65 58.51 2e85 s ILE 113 Cb -0.11 -1.96 -0.02 0.00 -1.06 0.00 0.00 42.46 39.31 2e85 s ILE 113 CO 0.03 0.54 1.42 -1.58 -0.10 0.00 0.00 174.94 175.25 2e85 s GLN 114 N 0.55 3.97 0.64 2.79 2.00 -0.14 -0.80 119.66 128.66 2e85 s GLN 114 Ca -0.12 1.54 -0.10 0.00 -2.00 0.00 0.00 55.36 54.68 2e85 s GLN 114 Cb -0.16 -3.91 -0.02 0.00 0.80 0.00 0.00 33.01 29.72 2e85 s GLN 114 CO 0.04 -1.06 1.02 -1.25 -0.50 0.00 0.00 175.29 173.54 2e85 s PRO 115 N 4.17 3.26 -0.18 1.67 0.04 -1.26 -0.96 135.00 141.73 2e85 s PRO 115 Ca 0.62 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 62.02 2e85 s PRO 115 Cb -0.22 -2.10 -0.07 0.00 0.04 0.00 0.00 34.50 32.15 2e85 s PRO 115 CO 0.24 -0.72 -0.33 -3.47 0.04 0.00 0.00 177.00 172.75 2e85 n ASP 116 N -2.78 1.89 -4.23 6.66 2.03 -1.26 -4.66 116.55 114.20 2e85 n ASP 116 Ca 0.06 0.32 -0.31 0.00 0.52 0.00 0.00 54.79 55.38 2e85 n ASP 116 Cb 0.56 -0.73 -0.17 0.00 -0.72 0.00 0.00 41.12 40.06 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 -2.79 1.97 -0.11 5.18 -4.36 -1.26 -5.05 121.20 114.78 2e85 s ILE 117 Ca -0.29 -1.00 -0.03 0.00 -0.26 0.00 0.00 60.65 59.07 2e85 s ILE 117 Cb 0.06 -1.69 0.04 0.00 1.25 0.00 0.00 42.46 42.12 2e85 s ILE 117 CO 0.42 0.55 0.04 -0.69 0.24 0.00 0.00 174.94 175.50 2e85 s VAL 118 N 0.09 0.18 -0.24 8.37 1.01 -1.26 -0.57 120.40 127.98 2e85 s VAL 118 Ca -0.10 -0.00 -0.33 0.00 0.00 0.00 0.00 61.98 61.54 2e85 s VAL 118 Cb -0.15 -0.55 0.16 0.00 0.00 0.00 0.00 36.38 35.84 2e85 s VAL 118 CO 0.06 0.02 1.28 -0.83 0.00 0.00 0.00 175.10 175.63 2e85 s GLY 119 N 2.04 -0.12 0.00 4.51 0.00 -1.22 -4.99 107.32 107.54 2e85 s GLY 119 Ca 0.03 2.18 -0.30 0.00 0.00 0.00 0.00 44.72 46.64 2e85 s GLY 119 CO -0.06 0.83 1.91 -0.12 0.00 0.00 0.00 173.10 175.66 2e85 s PHE 120 N -1.67 1.43 -1.21 1.90 5.36 -1.26 -2.09 117.98 120.44 2e85 s PHE 120 Ca 0.08 -0.27 0.00 0.00 -0.96 0.00 0.00 56.93 55.79 2e85 s PHE 120 Cb -0.01 -4.16 0.00 0.00 -0.34 0.00 0.00 43.02 38.51 2e85 s PHE 120 CO -0.05 -5.12 0.00 0.66 -1.46 0.00 0.00 175.22 169.25 2e85 n TYR 121 N 7.67 0.00 -1.86 10.12 4.02 -0.21 -5.00 117.16 131.91 2e85 n TYR 121 Ca 0.20 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.75 2e85 n TYR 121 Cb 0.42 -2.19 0.04 0.00 -0.02 0.00 0.00 39.34 37.58 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 -2.37 2.64 0.86 -0.72 1.51 -0.89 -4.93 117.35 113.45 2e85 s TYR 122 Ca 0.00 1.55 -0.12 0.00 -1.01 0.00 0.00 57.07 57.49 2e85 s TYR 122 Cb 0.00 -3.19 0.11 0.00 -0.11 0.00 0.00 41.96 38.77 2e85 s TYR 122 CO 0.00 -1.66 1.13 -1.25 -1.11 0.00 0.00 175.55 172.66 2e85 s PRO 123 N -3.94 1.55 0.20 -1.71 0.04 -1.26 -3.47 135.00 126.42 2e85 s PRO 123 Ca 0.68 0.36 -0.24 0.00 0.04 0.00 0.00 61.00 61.84 2e85 s PRO 123 Cb -0.21 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 2e85 s PRO 123 CO 0.39 -1.93 0.80 1.41 0.04 0.00 0.00 177.00 177.70 2e85 s MET 124 N -5.29 4.52 0.32 4.56 1.75 -1.26 -3.91 119.30 119.99 2e85 s MET 124 Ca 0.63 1.14 -0.07 0.00 -1.25 0.00 0.00 55.69 56.13 2e85 s MET 124 Cb -0.14 -3.12 -0.06 0.00 2.84 0.00 0.00 34.83 34.35 2e85 s MET 124 CO 0.53 0.49 0.63 0.95 -0.65 0.00 0.00 175.02 176.97 2e85 s THR 125 N -1.30 4.93 0.22 10.11 -4.23 -1.26 -4.93 115.64 119.19 2e85 s THR 125 Ca 0.40 0.30 -0.08 0.00 -1.18 0.00 0.00 61.69 61.13 2e85 s THR 125 Cb -0.21 -3.72 0.16 0.00 1.34 0.00 0.00 72.50 70.07 2e85 s THR 125 CO 0.25 -0.35 1.79 -0.61 -0.54 0.00 0.00 174.62 175.16 2e85 h GLN 126 N 1.65 0.61 -0.00 3.99 5.75 -2.00 -1.60 115.11 123.51 2e85 h GLN 126 Ca -0.47 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 57.98 2e85 h GLN 126 Cb 1.19 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.60 2e85 h GLN 126 CO 0.66 0.40 -0.04 -1.35 -2.65 0.00 0.00 178.83 175.85 2e85 h PRO 127 N 0.63 0.01 0.01 -2.39 0.11 -1.95 -0.28 132.00 128.14 2e85 h PRO 127 Ca 0.33 -0.00 -0.23 0.00 0.11 0.00 0.00 66.00 66.21 2e85 h PRO 127 Cb 0.30 -0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.43 2e85 h PRO 127 CO -0.24 0.04 -0.91 0.82 -0.21 0.00 0.00 178.00 177.51 2e85 h ILE 128 N 0.01 1.33 -0.50 4.15 1.08 -1.63 -0.95 117.51 121.00 2e85 h ILE 128 Ca 0.00 -2.21 0.09 0.00 -0.39 0.00 0.00 64.86 62.35 2e85 h ILE 128 Cb 0.07 2.49 -0.08 0.00 -3.07 0.00 0.00 36.82 36.24 2e85 h ILE 128 CO 0.00 0.67 0.06 0.11 -0.69 0.00 0.00 178.15 178.31 2e85 h LYS 129 N 0.20 0.18 -0.87 2.37 1.57 -0.90 -0.33 116.57 118.80 2e85 h LYS 129 Ca -0.12 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2e85 h LYS 129 Cb 1.59 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 33.80 2e85 h LYS 129 CO 0.18 0.12 0.57 -0.44 -0.57 0.00 0.00 179.45 179.31 2e85 h ASP 130 N 0.19 0.95 -0.54 0.86 3.32 -1.00 -1.56 116.42 118.64 2e85 h ASP 130 Ca 0.26 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 2e85 h ASP 130 Cb 0.36 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2e85 h ASP 130 CO -0.37 0.66 0.03 0.00 -1.72 0.00 0.00 179.24 177.84 2e85 h ALA 131 N 1.35 0.73 -0.59 3.45 0.00 -0.45 0.03 119.26 123.77 2e85 h ALA 131 Ca 0.34 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2e85 h ALA 131 Cb -0.02 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2e85 h ALA 131 CO -0.11 0.53 0.25 0.28 0.00 0.00 0.00 179.25 180.20 2e85 h VAL 132 N 0.82 1.22 -0.73 0.00 2.07 -0.78 -1.14 116.25 117.72 2e85 h VAL 132 Ca 0.16 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2e85 h VAL 132 Cb 0.50 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 2e85 h VAL 132 CO 0.02 0.26 0.47 -0.08 0.02 0.00 0.00 177.57 178.27 2e85 h GLU 133 N 0.81 0.96 -0.23 1.57 4.57 -0.95 -0.60 114.58 120.71 2e85 h GLU 133 Ca 0.20 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.34 2e85 h GLU 133 Cb 0.18 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 2e85 h GLU 133 CO -0.02 0.65 0.07 1.15 -1.18 0.00 0.00 179.01 179.68 2e85 h THR 134 N 0.99 0.93 -0.45 0.32 2.02 -0.46 -1.00 112.91 115.26 2e85 h THR 134 Ca 0.27 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.35 2e85 h THR 134 Cb -0.10 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 2e85 h THR 134 CO -0.06 0.03 0.15 0.58 0.37 0.00 0.00 175.52 176.59 2e85 h VAL 135 N 0.17 1.22 -0.79 3.16 2.07 -0.97 -2.82 116.25 118.30 2e85 h VAL 135 Ca 0.10 -0.73 0.11 0.00 0.82 0.00 0.00 66.70 67.00 2e85 h VAL 135 Cb 0.07 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 30.61 2e85 h VAL 135 CO -0.11 0.26 0.41 0.22 0.02 0.00 0.00 177.57 178.37 2e85 h TYR 136 N 0.59 0.74 0.00 1.57 3.20 -0.80 -0.36 116.97 121.90 2e85 h TYR 136 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 2e85 h TYR 136 Cb 0.26 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2e85 h TYR 136 CO 0.01 0.25 0.00 1.04 -1.64 0.00 0.00 178.16 177.82 2e85 n GLN 137 N -4.83 0.08 -0.00 1.82 1.13 -0.41 -2.43 117.38 112.74 2e85 n GLN 137 Ca 0.13 0.14 0.10 0.00 -1.94 0.00 0.00 57.00 55.43 2e85 n GLN 137 Cb 0.32 -1.50 -0.12 0.00 0.11 0.00 0.00 30.24 29.05 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 -1.44 0.10 -0.11 -1.09 1.74 -0.17 -4.46 116.66 111.23 2e85 n ARG 138 Ca 0.06 -0.02 0.01 0.00 -0.77 0.00 0.00 57.85 57.13 2e85 n ARG 138 Cb 0.22 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.46 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 0.00 0.69 -9.22 0.55 3.38 -1.24 -3.18 115.31 106.29 2e85 h LEU 139 Ca 0.00 -0.05 -0.56 0.00 0.09 0.00 0.00 57.88 57.36 2e85 h LEU 139 Cb 0.54 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2e85 h LEU 139 CO 0.00 0.56 0.83 -0.70 0.09 0.00 0.00 178.44 179.22 2e85 s GLU 140 N -5.52 4.28 -0.70 1.13 2.12 -1.26 -2.86 118.70 115.89 2e85 s GLU 140 Ca -0.10 1.69 0.00 0.00 0.36 0.00 0.00 54.97 56.93 2e85 s GLU 140 Cb 0.17 -3.68 0.00 0.00 0.26 0.00 0.00 34.13 30.88 2e85 s GLU 140 CO 0.77 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 175.29 2e85 n GLY 141 N 3.53 0.85 3.59 -1.50 0.00 -1.26 -4.93 105.19 105.46 2e85 n GLY 141 Ca 0.13 -0.37 -0.52 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.64 1.46 -4.10 1.61 -0.00 -1.13 -5.00 117.44 107.64 2e85 n TRP 142 Ca -0.07 0.66 -0.14 0.00 -0.00 0.00 0.00 57.50 57.95 2e85 n TRP 142 Cb 0.30 -2.32 -0.13 0.00 -0.00 0.00 0.00 31.31 29.16 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 0.39 0.42 8.00 5.87 0.41 -1.26 -4.97 118.70 127.54 2e85 s GLU 143 Ca 0.84 -0.37 0.00 0.00 -0.41 0.00 0.00 54.97 55.03 2e85 s GLU 143 Cb -0.95 -0.32 0.00 0.00 -1.78 0.00 0.00 34.13 31.08 2e85 s GLU 143 CO 0.48 0.08 0.00 0.41 -0.49 0.00 0.00 175.26 175.73 2e85 n GLY 144 N 2.44 4.26 1.77 -1.39 0.00 -1.26 -1.12 105.19 109.89 2e85 n GLY 144 Ca -0.16 0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 8.38 4.49 -1.80 1.61 3.02 -1.26 -4.94 115.26 124.76 2e85 n ASN 145 Ca 0.00 -3.25 -0.20 0.00 -0.03 0.00 0.00 54.58 51.10 2e85 n ASN 145 Cb 0.00 -0.71 -0.06 0.00 -0.61 0.00 0.00 39.78 38.40 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 2.41 7.41 0.00 -0.28 -2.11 105.19 113.54 2e85 n GLY 146 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.54 0.77 3.82 -0.02 0.00 -1.26 -4.97 105.19 103.00 2e85 n GLY 147 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.04 3.57 0.51 1.61 0.08 -0.90 -5.06 117.98 114.75 2e85 s PHE 148 Ca 0.00 1.38 -0.19 0.00 0.12 0.00 0.00 56.93 58.24 2e85 s PHE 148 Cb 0.00 -2.63 -0.07 0.00 -0.57 0.00 0.00 43.02 39.75 2e85 s PHE 148 CO 0.00 0.25 1.04 0.00 -0.10 0.00 0.00 175.22 176.41 2e85 s ALA 149 N -1.67 2.86 0.32 5.36 0.00 -1.26 -4.71 121.76 122.66 2e85 s ALA 149 Ca 0.47 0.52 -0.28 0.00 0.00 0.00 0.00 51.96 52.67 2e85 s ALA 149 Cb -0.15 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 2e85 s ALA 149 CO 0.20 -0.41 1.18 -1.14 0.00 0.00 0.00 175.76 175.60 2e85 s GLN 150 N -3.48 4.45 0.09 0.00 0.74 -1.26 -0.81 119.66 119.39 2e85 s GLN 150 Ca 0.66 1.95 -0.31 0.00 0.05 0.00 0.00 55.36 57.71 2e85 s GLN 150 Cb -0.16 -3.06 -0.08 0.00 1.10 0.00 0.00 33.01 30.81 2e85 s GLN 150 CO 0.24 -0.01 1.48 -1.17 -0.55 0.00 0.00 175.29 175.28 2e85 s LEU 151 N -1.74 4.36 -0.52 3.68 2.96 0.57 -4.80 118.68 123.19 2e85 s LEU 151 Ca 0.48 2.37 -0.20 0.00 -0.22 0.00 0.00 54.13 56.56 2e85 s LEU 151 Cb -0.34 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 42.82 2e85 s LEU 151 CO 0.45 -0.74 0.71 0.00 -1.32 0.00 0.00 176.35 175.45 2e85 s ALA 152 N 1.65 3.33 0.00 5.97 0.00 -1.26 -4.85 121.76 126.60 2e85 s ALA 152 Ca 0.67 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2e85 s ALA 152 Cb -0.38 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2e85 s ALA 152 CO 0.30 -2.12 0.00 1.55 0.00 0.00 0.00 175.76 175.49