#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ls8 n GLN 2 N 0.00 0.00 0.01 1.43 6.02 -1.26 -3.73 117.38 119.85 1ls8 n GLN 2 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1ls8 n GLN 2 Cb 0.00 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.17 1ls8 n GLN 2 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1ls8 h GLU 3 N 0.00 -0.10 -1.26 -1.09 4.57 -1.99 -3.16 114.58 111.55 1ls8 h GLU 3 Ca 0.00 0.01 0.39 0.00 -1.18 0.00 0.00 59.36 58.58 1ls8 h GLU 3 Cb 0.00 0.02 -0.12 0.00 -0.16 0.00 0.00 28.75 28.50 1ls8 h GLU 3 CO 0.00 0.42 0.82 0.28 -1.18 0.00 0.00 179.01 179.34 1ls8 h VAL 4 N -0.72 0.23 0.57 0.32 2.07 -1.93 0.39 116.25 117.18 1ls8 h VAL 4 Ca -0.01 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1ls8 h VAL 4 Cb 0.57 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1ls8 h VAL 4 CO 0.02 0.03 -0.27 0.24 0.02 0.00 0.00 177.57 177.60 1ls8 h MET 5 N 0.16 -0.74 -0.17 1.57 2.86 -1.85 0.18 114.93 116.94 1ls8 h MET 5 Ca 0.76 0.05 0.05 0.00 -2.06 0.00 0.00 59.70 58.50 1ls8 h MET 5 Cb 2.32 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 34.14 1ls8 h MET 5 CO -0.37 -0.43 0.15 -0.22 1.06 0.00 0.00 176.91 177.10 1ls8 h LYS 6 N -1.05 0.00 0.00 1.72 3.64 -0.90 -1.92 116.57 118.06 1ls8 h LYS 6 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1ls8 h LYS 6 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1ls8 h LYS 6 CO 0.13 0.00 -0.14 -0.97 -2.27 0.00 0.00 179.45 176.20 1ls8 h ASN 7 N 0.00 0.00 0.00 4.20 -1.24 -0.11 -3.37 115.58 115.06 1ls8 h ASN 7 Ca 0.08 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.06 1ls8 h ASN 7 Cb 0.38 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1ls8 h ASN 7 CO -0.00 0.02 0.00 0.18 -1.29 0.00 0.00 177.43 176.34 1ls8 n LEU 8 N -2.43 0.00 0.00 0.34 4.77 0.62 -4.82 117.00 115.48 1ls8 n LEU 8 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1ls8 n LEU 8 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 1ls8 n LEU 8 CO 0.32 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.18 1ls8 n SER 9 N 0.00 0.00 0.00 -1.43 7.64 -1.22 -4.85 113.62 113.77 1ls8 n SER 9 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1ls8 n SER 9 Cb 0.00 -1.26 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 1ls8 n SER 9 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1ls8 n LEU 10 N 0.00 0.00 -0.17 -3.43 4.32 -1.26 -1.41 117.00 115.05 1ls8 n LEU 10 Ca 0.00 0.57 0.14 0.00 -0.02 0.00 0.00 56.01 56.70 1ls8 n LEU 10 Cb 0.00 -0.07 0.54 0.00 -1.62 0.00 0.00 43.42 42.27 1ls8 n LEU 10 CO 0.00 -0.07 0.81 0.59 -1.22 0.00 0.00 177.39 177.50 1ls8 n ASN 11 N -1.02 0.68 -0.30 -1.43 3.02 -1.26 -3.58 115.26 111.37 1ls8 n ASN 11 Ca 0.00 -0.71 0.11 0.00 -0.03 0.00 0.00 54.58 53.95 1ls8 n ASN 11 Cb 0.00 -0.01 0.34 0.00 -0.61 0.00 0.00 39.78 39.51 1ls8 n ASN 11 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1ls8 h PHE 12 N 0.83 0.92 0.00 3.10 3.57 -1.61 -2.15 116.94 121.59 1ls8 h PHE 12 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ls8 h PHE 12 Cb 0.41 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1ls8 h PHE 12 CO 0.00 0.33 -0.54 0.41 -2.23 0.00 0.00 178.31 176.28 1ls8 n GLY 13 N -1.40 0.00 0.25 2.40 0.00 -1.16 -4.55 105.19 100.74 1ls8 n GLY 13 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 1ls8 n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ls8 h LYS 14 N 0.00 0.68 0.00 1.61 3.64 -1.63 0.01 116.57 120.87 1ls8 h LYS 14 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1ls8 h LYS 14 Cb 0.16 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1ls8 h LYS 14 CO 0.00 0.45 0.00 0.00 -2.27 0.00 0.00 179.45 177.63 1ls8 n ALA 15 N -2.34 2.55 -0.22 5.00 0.00 -0.81 -2.57 120.51 122.12 1ls8 n ALA 15 Ca 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 1ls8 n ALA 15 Cb 0.15 -1.48 0.05 0.00 0.00 0.00 0.00 19.45 18.16 1ls8 n ALA 15 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ls8 h LEU 16 N 0.00 0.72 -2.32 0.00 5.85 -1.14 -2.45 115.31 115.96 1ls8 h LEU 16 Ca 0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1ls8 h LEU 16 Cb 0.10 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1ls8 h LEU 16 CO 0.00 0.52 -0.03 0.44 -0.34 0.00 0.00 178.44 179.03 1ls8 h ASP 17 N 0.85 0.00 0.05 1.25 3.32 -1.56 0.53 116.42 120.86 1ls8 h ASP 17 Ca 0.24 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1ls8 h ASP 17 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1ls8 h ASP 17 CO -0.06 0.03 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.14 1ls8 h GLU 18 N 0.00 -0.06 0.00 3.56 5.08 -1.61 -0.91 114.58 120.64 1ls8 h GLU 18 Ca -0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1ls8 h GLU 18 Cb 0.08 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1ls8 h GLU 18 CO 0.00 0.50 -0.38 0.00 -1.00 0.00 0.00 179.01 178.13 1ls8 h LYS 20 N 0.00 0.74 -0.45 0.00 1.57 -0.01 0.05 116.57 118.47 1ls8 h LYS 20 Ca -0.00 -0.45 0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1ls8 h LYS 20 Cb 0.75 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 1ls8 h LYS 20 CO 0.05 1.08 0.28 -0.22 -0.57 0.00 0.00 179.45 180.06 1ls8 h LYS 21 N 0.48 0.55 0.47 3.15 3.11 -0.89 -1.20 116.57 122.24 1ls8 h LYS 21 Ca 0.02 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1ls8 h LYS 21 Cb 1.01 -0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 1ls8 h LYS 21 CO 0.10 0.36 -0.23 0.93 -2.81 0.00 0.00 179.45 177.80 1ls8 h GLU 22 N 0.56 -0.61 -0.56 1.90 5.08 -0.46 -3.30 114.58 117.20 1ls8 h GLU 22 Ca 0.17 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1ls8 h GLU 22 Cb -0.02 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1ls8 h GLU 22 CO -0.06 -0.33 0.00 -1.33 -1.00 0.00 0.00 179.01 176.28 1ls8 n MET 23 N -5.30 3.33 -4.05 2.33 2.81 -0.03 -4.96 117.12 111.26 1ls8 n MET 23 Ca -0.11 -2.69 -0.28 0.00 -1.81 0.00 0.00 57.70 52.81 1ls8 n MET 23 Cb 0.29 -1.72 -0.04 0.00 -0.71 0.00 0.00 33.22 31.05 1ls8 n MET 23 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1ls8 n THR 24 N 0.89 -2.58 -1.84 2.03 5.66 -0.51 -4.97 114.28 112.96 1ls8 n THR 24 Ca 0.22 -0.52 -0.29 0.00 -3.05 0.00 0.00 64.05 60.41 1ls8 n THR 24 Cb 0.76 -2.25 0.09 0.00 -1.55 0.00 0.00 70.33 67.39 1ls8 n THR 24 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1ls8 s LEU 25 N -7.08 2.47 0.00 1.09 1.43 -0.84 -5.04 118.68 110.71 1ls8 s LEU 25 Ca 0.03 0.86 0.02 0.00 -1.03 0.00 0.00 54.13 54.01 1ls8 s LEU 25 Cb -0.01 -3.36 0.02 0.00 0.03 0.00 0.00 46.19 42.87 1ls8 s LEU 25 CO 0.92 -1.95 0.17 0.35 0.23 0.00 0.00 176.35 176.07 1ls8 n THR 26 N -3.35 0.00 0.02 5.49 -2.24 -1.26 -4.84 114.28 108.10 1ls8 n THR 26 Ca 0.08 -0.39 0.01 0.00 -2.27 0.00 0.00 64.05 61.47 1ls8 n THR 26 Cb 0.60 -0.92 0.02 0.00 -2.10 0.00 0.00 70.33 67.93 1ls8 n THR 26 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1ls8 n ASP 27 N -2.87 1.63 0.23 3.42 2.03 -1.26 -4.37 116.55 115.36 1ls8 n ASP 27 Ca 0.03 -1.52 0.08 0.00 0.52 0.00 0.00 54.79 53.91 1ls8 n ASP 27 Cb 0.12 -0.02 0.54 0.00 -0.72 0.00 0.00 41.12 41.05 1ls8 n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ls8 h ALA 28 N 0.32 1.29 0.00 -1.67 0.00 -2.01 -1.92 119.26 115.28 1ls8 h ALA 28 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ls8 h ALA 28 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ls8 h ALA 28 CO 0.00 0.28 0.00 -0.84 0.00 0.00 0.00 179.25 178.69 1ls8 h ILE 29 N 0.00 0.00 0.00 0.00 3.07 -1.96 0.87 117.51 119.49 1ls8 h ILE 29 Ca -0.00 -0.29 0.00 0.00 1.55 0.00 0.00 64.86 66.11 1ls8 h ILE 29 Cb 0.51 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.35 1ls8 h ILE 29 CO 0.03 0.00 0.00 0.59 -1.05 0.00 0.00 178.15 177.72 1ls8 n ASN 30 N -3.07 0.00 -0.03 2.16 4.13 -0.72 -3.59 115.26 114.14 1ls8 n ASN 30 Ca -0.01 -0.18 -0.03 0.00 1.68 0.00 0.00 54.58 56.04 1ls8 n ASN 30 Cb 0.21 -0.23 -0.03 0.00 -1.54 0.00 0.00 39.78 38.18 1ls8 n ASN 30 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1ls8 n GLU 31 N -1.23 1.92 0.08 3.52 1.02 0.11 -3.77 120.64 122.29 1ls8 n GLU 31 Ca 0.12 0.01 0.19 0.00 -0.02 0.00 0.00 57.16 57.47 1ls8 n GLU 31 Cb 0.16 -1.12 0.73 0.00 -0.02 0.00 0.00 31.44 31.19 1ls8 n GLU 31 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1ls8 h ASP 32 N 0.00 0.00 0.68 1.62 3.32 -1.11 0.21 116.42 121.14 1ls8 h ASP 32 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1ls8 h ASP 32 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1ls8 h ASP 32 CO -0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 1ls8 n PHE 33 N -4.12 0.08 -0.03 4.55 3.01 -1.24 -4.00 117.46 115.70 1ls8 n PHE 33 Ca 0.07 0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.56 1ls8 n PHE 33 Cb 0.52 -0.54 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 1ls8 n PHE 33 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 1ls8 n TYR 34 N -1.57 0.00 -3.13 1.38 9.36 0.03 -4.82 117.16 118.42 1ls8 n TYR 34 Ca 0.04 0.00 -0.45 0.00 3.32 0.00 0.00 57.90 60.81 1ls8 n TYR 34 Cb 0.23 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.92 1ls8 n TYR 34 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1ls8 s ASN 35 N 0.00 6.72 0.07 2.98 3.84 0.53 -4.74 114.94 124.35 1ls8 s ASN 35 Ca 0.00 -2.42 0.00 0.00 0.21 0.00 0.00 52.86 50.65 1ls8 s ASN 35 Cb 0.00 -2.30 0.00 0.00 -0.55 0.00 0.00 41.25 38.40 1ls8 s ASN 35 CO 0.00 -0.80 0.00 0.49 -2.79 0.00 0.00 177.10 174.00 1ls8 n PHE 36 N 5.19 -0.09 0.00 0.43 3.72 -1.26 -4.79 117.46 120.65 1ls8 n PHE 36 Ca 0.19 0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 1ls8 n PHE 36 Cb 0.48 0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 1ls8 n PHE 36 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1ls8 n TRP 37 N -3.15 0.00 -1.88 1.38 8.01 -1.26 -4.76 117.44 115.78 1ls8 n TRP 37 Ca 0.00 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.79 1ls8 n TRP 37 Cb 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 1ls8 n TRP 37 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 1ls8 s LYS 38 N 0.00 3.98 0.46 -0.99 3.01 -1.26 -4.89 119.74 120.05 1ls8 s LYS 38 Ca 0.00 2.41 0.11 0.00 -1.01 0.00 0.00 55.97 57.49 1ls8 s LYS 38 Cb 0.00 -2.85 1.03 0.00 -1.01 0.00 0.00 37.83 35.00 1ls8 s LYS 38 CO 0.00 -0.57 2.08 1.05 0.51 0.00 0.00 175.35 178.42 1ls8 h GLU 39 N 2.78 0.25 0.00 1.68 4.11 -2.01 -2.21 114.58 119.19 1ls8 h GLU 39 Ca -0.50 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 58.90 1ls8 h GLU 39 Cb 1.25 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1ls8 h GLU 39 CO 0.63 0.20 -0.76 0.78 0.07 0.00 0.00 179.01 179.93 1ls8 h GLY 40 N 0.34 0.00 -4.05 1.06 0.00 -1.96 -3.47 103.07 94.98 1ls8 h GLY 40 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 47.03 1ls8 h GLY 40 CO -0.01 0.00 0.90 2.98 0.00 0.00 0.00 176.54 180.41 1ls8 n TYR 41 N -2.80 0.49 -3.73 5.60 4.19 -0.83 -4.87 117.16 115.21 1ls8 n TYR 41 Ca 0.01 0.33 -0.37 0.00 3.31 0.00 0.00 57.90 61.17 1ls8 n TYR 41 Cb 0.56 -1.35 -0.12 0.00 0.49 0.00 0.00 39.34 38.91 1ls8 n TYR 41 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 1ls8 s GLU 42 N 4.38 3.53 -0.11 2.98 2.12 -1.26 -4.98 118.70 125.36 1ls8 s GLU 42 Ca 0.74 -0.57 -0.30 0.00 0.36 0.00 0.00 54.97 55.21 1ls8 s GLU 42 Cb -0.80 -3.38 -0.02 0.00 0.26 0.00 0.00 34.13 30.19 1ls8 s GLU 42 CO 0.33 -0.26 1.20 0.42 -0.54 0.00 0.00 175.26 176.40 1ls8 s ILE 43 N 1.60 4.33 0.24 -3.70 1.01 -1.26 -4.93 121.20 118.50 1ls8 s ILE 43 Ca 0.06 1.63 0.12 0.00 0.00 0.00 0.00 60.65 62.45 1ls8 s ILE 43 Cb -0.16 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 1ls8 s ILE 43 CO 0.04 -0.06 1.61 0.07 0.00 0.00 0.00 174.94 176.60 1ls8 h LYS 44 N 7.69 0.00 -7.20 2.79 -0.00 -2.03 -3.47 116.57 114.35 1ls8 h LYS 44 Ca -0.30 0.00 -0.54 0.00 -0.00 0.00 0.00 60.65 59.81 1ls8 h LYS 44 Cb 1.13 0.00 0.17 0.00 -0.00 0.00 0.00 32.23 33.54 1ls8 h LYS 44 CO 0.92 0.60 0.36 -0.80 -0.00 0.00 0.00 179.45 180.53 1ls8 s ASN 45 N -6.77 3.81 -0.02 7.07 0.01 -1.26 -4.97 114.94 112.81 1ls8 s ASN 45 Ca -0.01 2.36 0.02 0.00 -0.71 0.00 0.00 52.86 54.53 1ls8 s ASN 45 Cb 0.12 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 1ls8 s ASN 45 CO 0.75 -2.52 0.01 -2.11 -1.51 0.00 0.00 177.10 171.72 1ls8 n ARG 46 N -3.10 3.25 -0.15 -0.60 1.85 -1.26 -4.67 116.66 111.98 1ls8 n ARG 46 Ca 0.13 -0.00 0.13 0.00 -1.00 0.00 0.00 57.85 57.11 1ls8 n ARG 46 Cb 0.50 -1.07 0.47 0.00 -1.05 0.00 0.00 32.46 31.32 1ls8 n ARG 46 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1ls8 h GLU 47 N 0.00 0.47 0.20 2.89 3.07 -1.96 0.76 114.58 120.00 1ls8 h GLU 47 Ca -0.06 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.76 1ls8 h GLU 47 Cb 1.06 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 1ls8 h GLU 47 CO 0.00 0.31 -0.17 1.15 -1.40 0.00 0.00 179.01 178.91 1ls8 h THR 48 N 0.48 0.00 0.00 1.13 2.02 -1.94 0.05 112.91 114.65 1ls8 h THR 48 Ca 0.34 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.50 1ls8 h THR 48 Cb 0.67 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1ls8 h THR 48 CO -0.11 0.00 -0.09 1.23 0.37 0.00 0.00 175.52 176.91 1ls8 h GLY 49 N -0.36 0.00 0.86 2.16 0.00 -1.49 0.29 103.07 104.54 1ls8 h GLY 49 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1ls8 h GLY 49 CO -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.40 1ls8 h ALA 51 N 0.15 0.68 0.19 0.00 0.00 0.06 -0.45 119.26 119.88 1ls8 h ALA 51 Ca -0.04 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ls8 h ALA 51 Cb 0.39 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1ls8 h ALA 51 CO 0.06 -0.05 -0.32 0.82 0.00 0.00 0.00 179.25 179.77 1ls8 h ILE 52 N 0.55 0.32 -0.40 0.00 2.04 -0.87 0.42 117.51 119.58 1ls8 h ILE 52 Ca 0.23 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 66.01 1ls8 h ILE 52 Cb 0.11 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.49 1ls8 h ILE 52 CO -0.14 0.00 -0.07 -0.03 0.00 0.00 0.00 178.15 177.91 1ls8 h MET 53 N -0.59 0.67 0.36 2.37 4.05 -1.11 -1.94 114.93 118.75 1ls8 h MET 53 Ca 0.01 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1ls8 h MET 53 Cb 0.59 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 1ls8 h MET 53 CO -0.14 0.74 -0.36 0.00 0.23 0.00 0.00 176.91 177.37 1ls8 h LEU 55 N -0.75 -1.11 -1.75 0.00 3.38 -0.71 -1.12 115.31 113.25 1ls8 h LEU 55 Ca -0.03 0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1ls8 h LEU 55 Cb 0.68 0.45 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1ls8 h LEU 55 CO -0.06 -0.41 -0.14 0.28 0.09 0.00 0.00 178.44 178.19 1ls8 h SER 56 N -0.50 0.00 0.36 -0.43 0.02 -1.22 0.13 113.55 111.92 1ls8 h SER 56 Ca 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1ls8 h SER 56 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1ls8 h SER 56 CO -0.31 0.14 -0.17 0.74 -1.14 0.00 0.00 176.83 176.09 1ls8 h THR 57 N 0.00 0.64 0.00 -2.27 2.02 -0.67 0.49 112.91 113.12 1ls8 h THR 57 Ca -0.00 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.72 1ls8 h THR 57 Cb 0.26 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1ls8 h THR 57 CO 0.02 0.08 -0.23 0.11 0.37 0.00 0.00 175.52 175.87 1ls8 h LYS 58 N -0.72 0.00 0.00 6.66 1.79 0.11 -1.45 116.57 122.96 1ls8 h LYS 58 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1ls8 h LYS 58 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1ls8 h LYS 58 CO 0.08 0.23 -0.15 1.28 -1.08 0.00 0.00 179.45 179.81 1ls8 n LEU 59 N -3.72 0.40 -3.99 2.94 4.77 0.31 -4.95 117.00 112.76 1ls8 n LEU 59 Ca -0.01 0.42 -0.38 0.00 -0.03 0.00 0.00 56.01 56.00 1ls8 n LEU 59 Cb 0.34 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1ls8 n LEU 59 CO 0.34 -0.04 -0.19 0.59 -1.33 0.00 0.00 177.39 176.75 1ls8 n ASN 60 N -1.80 -3.24 -0.06 -1.43 3.02 -0.55 -4.96 115.26 106.26 1ls8 n ASN 60 Ca 0.06 -1.19 -0.02 0.00 -0.03 0.00 0.00 54.58 53.41 1ls8 n ASN 60 Cb 0.38 -2.29 -0.01 0.00 -0.61 0.00 0.00 39.78 37.25 1ls8 n ASN 60 CO 0.00 0.00 0.00 -0.03 -2.62 0.00 0.00 177.26 174.61 1ls8 h MET 61 N -2.23 0.00 -7.10 3.52 1.85 -1.16 -3.46 114.93 106.36 1ls8 h MET 61 Ca -0.68 0.00 -0.46 0.00 -0.61 0.00 0.00 59.70 57.95 1ls8 h MET 61 Cb 1.39 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.42 1ls8 h MET 61 CO 0.55 0.00 0.36 -0.51 -0.40 0.00 0.00 176.91 176.91 1ls8 s LEU 62 N -8.34 3.83 1.05 3.39 1.43 -1.13 -4.41 118.68 114.50 1ls8 s LEU 62 Ca -0.05 1.73 -0.15 0.00 -1.03 0.00 0.00 54.13 54.63 1ls8 s LEU 62 Cb 0.01 -4.54 0.21 0.00 0.03 0.00 0.00 46.19 41.90 1ls8 s LEU 62 CO 0.07 -0.55 1.12 -1.81 0.23 0.00 0.00 176.35 175.41 1ls8 s ASP 63 N -2.36 2.22 0.46 2.29 1.11 -1.26 -4.85 116.67 114.28 1ls8 s ASP 63 Ca 0.63 0.90 0.24 0.00 0.18 0.00 0.00 52.55 54.50 1ls8 s ASP 63 Cb -0.11 -1.38 1.07 0.00 1.07 0.00 0.00 42.92 43.58 1ls8 s ASP 63 CO 0.20 -3.35 1.90 1.55 1.18 0.00 0.00 175.17 176.65 1ls8 h PRO 64 N -2.05 0.00 0.00 8.23 0.13 -2.02 -2.55 132.00 133.74 1ls8 h PRO 64 Ca -0.50 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ls8 h PRO 64 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ls8 h PRO 64 CO 0.50 0.21 -0.00 0.93 -0.23 0.00 0.00 178.00 179.41 1ls8 h GLU 65 N 0.00 -0.00 -4.42 0.86 3.07 -2.01 -3.48 114.58 108.59 1ls8 h GLU 65 Ca -0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.74 1ls8 h GLU 65 Cb 0.62 0.00 0.09 0.00 -0.84 0.00 0.00 28.75 28.62 1ls8 h GLU 65 CO 0.03 0.30 -0.39 0.41 -1.40 0.00 0.00 179.01 177.95 1ls8 n GLY 66 N -0.29 -0.43 0.76 -3.84 0.00 -0.96 -4.99 105.19 95.44 1ls8 n GLY 66 Ca -0.08 0.22 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1ls8 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ls8 n ASN 67 N -2.27 3.43 -1.18 1.61 3.02 -1.26 -4.92 115.26 113.69 1ls8 n ASN 67 Ca -0.03 -2.57 0.00 0.00 -0.03 0.00 0.00 54.58 51.95 1ls8 n ASN 67 Cb 0.55 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.32 1ls8 n ASN 67 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1ls8 n LEU 68 N -0.09 -1.43 -4.08 3.41 -0.00 -1.26 -4.73 117.00 108.82 1ls8 n LEU 68 Ca 0.17 2.18 -0.28 0.00 -0.00 0.00 0.00 56.01 58.08 1ls8 n LEU 68 Cb 0.68 -2.08 -0.17 0.00 -0.00 0.00 0.00 43.42 41.86 1ls8 n LEU 68 CO 0.12 -0.36 -0.50 -2.28 -0.00 0.00 0.00 177.39 174.37 1ls8 s HIS 69 N -4.55 1.96 0.03 1.96 5.65 -1.26 -4.87 115.29 114.20 1ls8 s HIS 69 Ca 0.00 -0.85 -0.13 0.00 0.25 0.00 0.00 55.06 54.33 1ls8 s HIS 69 Cb 0.00 -1.39 -0.07 0.00 -1.18 0.00 0.00 32.58 29.95 1ls8 s HIS 69 CO 0.00 -0.41 1.21 0.45 -0.65 0.00 0.00 174.74 175.34 1ls8 h HIS 70 N 7.15 -0.52 -0.55 3.88 -0.00 -1.96 -2.24 115.15 120.91 1ls8 h HIS 70 Ca -0.29 0.00 -0.11 0.00 -0.00 0.00 0.00 60.37 59.97 1ls8 h HIS 70 Cb 1.19 0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 28.78 1ls8 h HIS 70 CO 0.48 -0.26 -0.10 0.78 -0.00 0.00 0.00 177.93 178.83 1ls8 h GLY 71 N -0.39 1.12 0.94 2.45 0.00 -1.97 -0.56 103.07 104.65 1ls8 h GLY 71 Ca -0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 47.33 46.39 1ls8 h GLY 71 CO -0.01 0.82 0.15 3.43 0.00 0.00 0.00 176.54 180.93 1ls8 h ASN 72 N 0.92 0.51 1.40 0.19 4.21 -1.85 0.07 115.58 121.03 1ls8 h ASN 72 Ca 0.14 -0.16 -0.08 0.00 1.21 0.00 0.00 56.30 57.41 1ls8 h ASN 72 Cb 0.67 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.72 1ls8 h ASN 72 CO 0.05 0.54 -0.38 0.00 -1.29 0.00 0.00 177.43 176.34 1ls8 h ALA 73 N 1.00 0.80 -0.26 -0.83 0.00 -1.33 -2.86 119.26 115.78 1ls8 h ALA 73 Ca 0.12 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1ls8 h ALA 73 Cb 0.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ls8 h ALA 73 CO -0.01 0.48 0.08 1.98 0.00 0.00 0.00 179.25 181.77 1ls8 h MET 74 N 0.00 0.18 0.00 0.00 1.85 -0.71 -2.52 114.93 113.73 1ls8 h MET 74 Ca -0.00 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.04 1ls8 h MET 74 Cb 1.18 -0.04 -0.00 0.00 0.43 0.00 0.00 31.60 33.17 1ls8 h MET 74 CO 0.05 0.12 -0.15 0.93 -0.40 0.00 0.00 176.91 177.46 1ls8 h GLU 75 N 0.19 0.00 0.39 0.39 4.39 -0.76 0.31 114.58 119.49 1ls8 h GLU 75 Ca 0.12 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1ls8 h GLU 75 Cb 0.09 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 1ls8 h GLU 75 CO -0.13 0.15 -0.19 0.35 -1.16 0.00 0.00 179.01 178.03 1ls8 h PHE 76 N 0.00 -0.49 0.00 4.33 3.04 -1.43 -3.30 116.94 119.09 1ls8 h PHE 76 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1ls8 h PHE 76 Cb 0.30 0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.97 1ls8 h PHE 76 CO 0.00 -0.16 0.00 0.00 -2.02 0.00 0.00 178.31 176.13 1ls8 h ALA 77 N -0.45 1.00 0.00 2.41 0.00 -0.83 -2.35 119.26 119.04 1ls8 h ALA 77 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ls8 h ALA 77 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ls8 h ALA 77 CO 0.09 0.00 -0.04 1.57 0.00 0.00 0.00 179.25 180.87 1ls8 h LYS 78 N 0.00 0.00 -0.03 0.00 5.09 -0.53 -0.68 116.57 120.42 1ls8 h LYS 78 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.70 1ls8 h LYS 78 Cb 0.61 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.93 1ls8 h LYS 78 CO 0.00 0.04 -0.19 -0.22 -2.09 0.00 0.00 179.45 176.99 1ls8 h LYS 79 N 0.00 0.05 0.00 0.07 3.64 -1.50 -0.62 116.57 118.21 1ls8 h LYS 79 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ls8 h LYS 79 Cb 0.65 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1ls8 h LYS 79 CO 0.01 0.24 -1.54 1.58 -2.27 0.00 0.00 179.45 177.46 1ls8 n HIS 80 N -4.29 0.00 0.00 1.91 -0.00 -1.26 -5.06 115.22 106.52 1ls8 n HIS 80 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1ls8 n HIS 80 Cb 0.27 -0.30 0.00 0.00 -0.12 0.00 0.00 29.99 29.84 1ls8 n HIS 80 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ls8 n GLY 81 N 1.57 0.59 3.86 1.57 0.00 -0.24 -5.12 105.19 107.42 1ls8 n GLY 81 Ca -0.02 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1ls8 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ls8 s ALA 82 N 0.00 1.98 0.46 4.61 0.00 -0.26 -4.96 121.76 123.59 1ls8 s ALA 82 Ca 0.00 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.71 1ls8 s ALA 82 Cb 0.00 -2.83 -0.10 0.00 0.00 0.00 0.00 23.12 20.19 1ls8 s ALA 82 CO 0.00 -2.54 0.97 -0.51 0.00 0.00 0.00 175.76 173.68 1ls8 s ASP 83 N -4.64 6.78 0.13 0.00 1.01 -1.26 -4.94 116.67 113.75 1ls8 s ASP 83 Ca 0.72 1.67 -0.14 0.00 0.71 0.00 0.00 52.55 55.50 1ls8 s ASP 83 Cb -0.06 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 1ls8 s ASP 83 CO 0.53 -0.47 1.59 1.05 0.21 0.00 0.00 175.17 178.08 1ls8 h GLU 84 N 1.54 0.72 -0.00 8.23 4.11 -1.98 -0.66 114.58 126.53 1ls8 h GLU 84 Ca -0.48 -0.22 0.03 0.00 0.07 0.00 0.00 59.36 58.76 1ls8 h GLU 84 Cb 1.18 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.31 1ls8 h GLU 84 CO 0.61 0.78 -0.31 1.15 0.07 0.00 0.00 179.01 181.31 1ls8 h THR 85 N 0.56 0.32 -0.30 -1.06 2.02 -1.98 0.33 112.91 112.80 1ls8 h THR 85 Ca 0.12 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.14 1ls8 h THR 85 Cb 0.44 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1ls8 h THR 85 CO 0.02 0.00 -0.43 -0.03 0.37 0.00 0.00 175.52 175.44 1ls8 h MET 86 N -0.46 0.83 -0.72 6.66 1.85 -1.93 0.22 114.93 121.38 1ls8 h MET 86 Ca 0.06 -0.49 -0.06 0.00 -0.61 0.00 0.00 59.70 58.60 1ls8 h MET 86 Cb 0.55 0.04 -0.03 0.00 0.43 0.00 0.00 31.60 32.59 1ls8 h MET 86 CO -0.26 1.12 0.21 0.00 -0.40 0.00 0.00 176.91 177.58 1ls8 h ALA 87 N 0.70 0.95 -0.12 0.39 0.00 -0.87 -1.49 119.26 118.81 1ls8 h ALA 87 Ca 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1ls8 h ALA 87 Cb 1.03 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ls8 h ALA 87 CO 0.10 0.65 -0.01 0.37 0.00 0.00 0.00 179.25 180.36 1ls8 h GLN 88 N 1.08 0.22 -0.25 0.00 -0.00 -0.86 -3.25 115.11 112.05 1ls8 h GLN 88 Ca 0.23 -0.08 0.04 0.00 -0.00 0.00 0.00 58.65 58.84 1ls8 h GLN 88 Cb 0.33 -0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.76 1ls8 h GLN 88 CO -0.00 0.49 0.02 1.96 0.00 0.00 0.00 178.83 181.29 1ls8 h GLN 89 N -0.07 0.10 0.00 1.69 1.08 -0.20 -1.05 115.11 116.67 1ls8 h GLN 89 Ca 0.03 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1ls8 h GLN 89 Cb 0.39 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1ls8 h GLN 89 CO 0.01 0.07 0.00 -0.07 -0.95 0.00 0.00 178.83 177.89 1ls8 h LEU 90 N 0.11 0.00 0.00 1.46 4.07 -1.37 0.29 115.31 119.87 1ls8 h LEU 90 Ca 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.08 1ls8 h LEU 90 Cb 0.14 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1ls8 h LEU 90 CO -0.18 0.00 -0.00 0.40 -1.08 0.00 0.00 178.44 177.58 1ls8 h ILE 91 N 0.00 1.66 -0.01 1.22 2.04 -1.30 -3.36 117.51 117.75 1ls8 h ILE 91 Ca 0.00 -2.15 -0.12 0.00 1.00 0.00 0.00 64.86 63.59 1ls8 h ILE 91 Cb 0.27 3.09 -0.02 0.00 -0.74 0.00 0.00 36.82 39.43 1ls8 h ILE 91 CO 0.00 0.55 -0.54 -0.78 0.00 0.00 0.00 178.15 177.38 1ls8 h ASP 92 N -0.95 0.04 -0.89 1.72 1.82 0.03 -2.47 116.42 115.73 1ls8 h ASP 92 Ca -0.00 -0.02 0.08 0.00 -0.39 0.00 0.00 57.03 56.70 1ls8 h ASP 92 Cb 0.90 -0.01 -0.07 0.00 0.68 0.00 0.00 39.33 40.83 1ls8 h ASP 92 CO 0.00 0.57 0.54 0.40 -1.61 0.00 0.00 179.24 179.14 1ls8 h ILE 93 N 0.03 0.98 -0.83 2.25 2.04 -0.69 0.05 117.51 121.35 1ls8 h ILE 93 Ca -0.00 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1ls8 h ILE 93 Cb 0.96 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 1ls8 h ILE 93 CO 0.07 0.17 0.47 0.58 0.00 0.00 0.00 178.15 179.45 1ls8 h VAL 94 N 0.94 1.24 -0.33 1.67 2.07 -1.59 -0.36 116.25 119.89 1ls8 h VAL 94 Ca 0.41 -0.56 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1ls8 h VAL 94 Cb 0.28 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 1ls8 h VAL 94 CO -0.21 0.26 -0.08 -0.74 0.02 0.00 0.00 177.57 176.82 1ls8 h HIS 95 N 1.14 -0.16 -0.35 1.57 6.17 -1.01 0.23 115.15 122.74 1ls8 h HIS 95 Ca 0.29 0.03 -0.05 0.00 0.71 0.00 0.00 60.37 61.35 1ls8 h HIS 95 Cb -0.00 0.12 -0.02 0.00 2.52 0.00 0.00 27.41 30.04 1ls8 h HIS 95 CO 0.00 -0.14 0.00 0.78 0.71 0.00 0.00 177.93 179.29 1ls8 h GLY 96 N 0.01 0.59 0.28 5.26 0.00 -0.49 -0.94 103.07 107.77 1ls8 h GLY 96 Ca 0.16 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1ls8 h GLY 96 CO -0.34 0.33 -0.01 0.00 0.00 0.00 0.00 176.54 176.52 1ls8 h GLU 98 N -0.74 0.40 0.00 0.00 4.39 -0.42 0.29 114.58 118.51 1ls8 h GLU 98 Ca -0.00 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1ls8 h GLU 98 Cb 0.70 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1ls8 h GLU 98 CO 0.00 0.27 -0.03 0.87 -1.16 0.00 0.00 179.01 178.96 1ls8 h LYS 99 N 0.42 -0.05 0.08 2.33 6.56 -1.23 -3.13 116.57 121.54 1ls8 h LYS 99 Ca 0.49 0.00 -0.25 0.00 -1.06 0.00 0.00 60.65 59.84 1ls8 h LYS 99 Cb 1.22 0.01 0.02 0.00 -0.57 0.00 0.00 32.23 32.92 1ls8 h LYS 99 CO -0.20 -0.04 -1.02 1.03 -2.06 0.00 0.00 179.45 177.16 1ls8 h SER 100 N -0.05 0.76 -2.14 0.86 0.87 -1.25 -3.44 113.55 109.15 1ls8 h SER 100 Ca 0.01 -0.82 -0.56 0.00 -1.23 0.00 0.00 61.79 59.19 1ls8 h SER 100 Cb 0.07 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1ls8 h SER 100 CO -0.03 1.49 1.38 0.41 -0.53 0.00 0.00 176.83 179.55 1ls8 n THR 101 N -3.94 0.54 0.00 2.23 -1.04 0.90 -4.93 114.28 108.03 1ls8 n THR 101 Ca -0.13 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.57 1ls8 n THR 101 Cb 0.88 -2.45 0.00 0.00 -1.82 0.00 0.00 70.33 66.95 1ls8 n THR 101 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ls8 n PRO 102 N 8.20 0.00 -3.66 -2.82 -0.04 -1.26 -4.81 135.00 130.60 1ls8 n PRO 102 Ca 0.26 0.27 -0.02 0.00 -0.04 0.00 0.00 63.50 63.96 1ls8 n PRO 102 Cb 0.43 -0.92 -0.01 0.00 -0.04 0.00 0.00 33.50 32.95 1ls8 n PRO 102 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ls8 s ALA 103 N -3.17 -1.92 -0.07 0.55 0.00 -1.26 -5.13 121.76 110.76 1ls8 s ALA 103 Ca 0.00 0.55 -0.07 0.00 0.00 0.00 0.00 51.96 52.45 1ls8 s ALA 103 Cb 0.00 0.45 0.02 0.00 0.00 0.00 0.00 23.12 23.59 1ls8 s ALA 103 CO 0.00 -0.97 0.19 1.21 0.00 0.00 0.00 175.76 176.19 1ls8 s ASN 104 N -2.84 -0.20 0.57 0.00 3.84 -1.26 -4.93 114.94 110.13 1ls8 s ASN 104 Ca 0.12 0.39 0.26 0.00 0.21 0.00 0.00 52.86 53.84 1ls8 s ASN 104 Cb 0.01 0.39 1.63 0.00 -0.55 0.00 0.00 41.25 42.72 1ls8 s ASN 104 CO -0.02 -0.07 2.17 0.44 -2.79 0.00 0.00 177.10 176.83 1ls8 h ASP 105 N 5.90 0.00 -3.25 -4.21 5.19 -2.02 -3.26 116.42 114.77 1ls8 h ASP 105 Ca -0.26 0.00 -0.68 0.00 -0.62 0.00 0.00 57.03 55.47 1ls8 h ASP 105 Cb 1.20 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.52 1ls8 h ASP 105 CO 0.39 0.00 0.05 -0.62 -3.12 0.00 0.00 179.24 175.93 1ls8 s ASP 106 N -6.24 6.22 0.31 6.45 -1.08 -1.26 -4.95 116.67 116.12 1ls8 s ASP 106 Ca -0.05 -0.92 0.23 0.00 -0.52 0.00 0.00 52.55 51.30 1ls8 s ASP 106 Cb 0.16 -2.29 1.13 0.00 -1.46 0.00 0.00 42.92 40.46 1ls8 s ASP 106 CO 0.58 -0.89 1.71 1.17 0.52 0.00 0.00 175.17 178.26 1ls8 n LYS 107 N 6.17 0.17 -0.03 4.34 0.00 -1.23 -1.58 118.16 126.00 1ls8 n LYS 107 Ca -0.07 0.55 -0.15 0.00 0.00 0.00 0.00 58.31 58.65 1ls8 n LYS 107 Cb 0.45 -1.95 -0.10 0.00 0.00 0.00 0.00 35.03 33.43 1ls8 n LYS 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ls8 h ILE 109 N -0.35 1.23 -0.18 0.00 5.03 -1.65 0.24 117.51 121.83 1ls8 h ILE 109 Ca -0.02 -0.46 0.05 0.00 -0.12 0.00 0.00 64.86 64.31 1ls8 h ILE 109 Cb 0.93 -0.22 -0.07 0.00 -3.03 0.00 0.00 36.82 34.43 1ls8 h ILE 109 CO 0.05 0.24 -0.34 -0.25 -0.68 0.00 0.00 178.15 177.17 1ls8 h TRP 110 N 1.34 -0.96 -0.22 1.37 7.01 -1.33 -1.37 115.95 121.80 1ls8 h TRP 110 Ca 0.38 0.04 0.05 0.00 2.11 0.00 0.00 58.89 61.48 1ls8 h TRP 110 Cb -0.10 0.45 -0.05 0.00 -2.10 0.00 0.00 29.16 27.35 1ls8 h TRP 110 CO -0.00 -0.41 -0.12 1.15 -2.79 0.00 0.00 178.44 176.27 1ls8 h THR 111 N -0.39 0.64 -0.93 2.65 2.02 -0.79 -2.70 112.91 113.41 1ls8 h THR 111 Ca 0.10 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.41 1ls8 h THR 111 Cb 0.56 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 67.54 1ls8 h THR 111 CO -0.40 0.00 0.60 -0.07 0.37 0.00 0.00 175.52 176.02 1ls8 h LEU 112 N -0.10 0.80 0.37 2.58 3.38 -0.40 0.30 115.31 122.24 1ls8 h LEU 112 Ca 0.12 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ls8 h LEU 112 Cb 0.28 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1ls8 h LEU 112 CO -0.28 0.43 -0.51 1.23 0.09 0.00 0.00 178.44 179.40 1ls8 h GLY 113 N 0.86 -1.20 0.79 0.83 0.00 -0.93 -0.90 103.07 102.52 1ls8 h GLY 113 Ca 0.46 0.60 0.08 0.00 0.00 0.00 0.00 47.33 48.47 1ls8 h GLY 113 CO -0.22 -0.34 0.57 -2.08 0.00 0.00 0.00 176.54 174.48 1ls8 h VAL 114 N -0.92 1.01 0.00 4.60 2.07 -1.40 -0.48 116.25 121.13 1ls8 h VAL 114 Ca -0.04 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.12 1ls8 h VAL 114 Cb 0.83 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1ls8 h VAL 114 CO -0.14 0.17 -0.18 0.00 0.02 0.00 0.00 177.57 177.44 1ls8 h ALA 115 N 1.54 1.49 0.05 1.67 0.00 0.25 0.37 119.26 124.64 1ls8 h ALA 115 Ca 0.40 -0.16 -0.38 0.00 0.00 0.00 0.00 54.91 54.77 1ls8 h ALA 115 Cb 0.32 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1ls8 h ALA 115 CO -0.16 0.22 -2.22 2.41 0.00 0.00 0.00 179.25 179.50 1ls8 n THR 116 N -4.02 1.61 -0.24 0.00 -1.04 -0.41 -3.69 114.28 106.50 1ls8 n THR 116 Ca -0.02 -0.56 -0.01 0.00 -2.04 0.00 0.00 64.05 61.42 1ls8 n THR 116 Cb 0.26 -1.62 0.11 0.00 -1.82 0.00 0.00 70.33 67.26 1ls8 n THR 116 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ls8 h PHE 118 N 0.71 -0.14 -0.67 0.00 3.04 -1.09 -0.95 116.94 117.83 1ls8 h PHE 118 Ca 0.31 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 62.25 1ls8 h PHE 118 Cb 0.20 0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.82 1ls8 h PHE 118 CO -0.07 -0.15 0.24 -0.22 -2.02 0.00 0.00 178.31 176.08 1ls8 h LYS 119 N 0.05 1.01 -0.43 1.11 1.63 -1.43 -1.93 116.57 116.59 1ls8 h LYS 119 Ca 0.22 -0.19 -0.13 0.00 -0.85 0.00 0.00 60.65 59.71 1ls8 h LYS 119 Cb 0.33 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1ls8 h LYS 119 CO -0.42 0.85 -0.22 0.00 -3.45 0.00 0.00 179.45 176.20 1ls8 h ALA 120 N 1.27 0.60 0.16 5.00 0.00 -0.34 -0.37 119.26 125.59 1ls8 h ALA 120 Ca 0.22 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ls8 h ALA 120 Cb 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ls8 h ALA 120 CO -0.01 0.59 -0.14 0.93 0.00 0.00 0.00 179.25 180.61 1ls8 h GLU 121 N 0.73 -0.31 -0.30 0.00 4.39 -1.10 -0.92 114.58 117.07 1ls8 h GLU 121 Ca 0.09 0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.90 1ls8 h GLU 121 Cb 0.80 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 1ls8 h GLU 121 CO 0.07 -0.21 0.32 0.82 -1.16 0.00 0.00 179.01 178.85 1ls8 h ILE 122 N -0.32 0.44 0.13 3.13 1.08 -1.10 0.58 117.51 121.45 1ls8 h ILE 122 Ca -0.00 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.46 1ls8 h ILE 122 Cb 0.29 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 34.79 1ls8 h ILE 122 CO -0.02 0.00 -0.06 -0.74 -0.69 0.00 0.00 178.15 176.64 1ls8 h HIS 123 N 0.00 -0.16 0.00 1.37 2.76 -0.20 -1.59 115.15 117.34 1ls8 h HIS 123 Ca 0.14 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.26 1ls8 h HIS 123 Cb 0.78 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.78 1ls8 h HIS 123 CO 0.00 0.21 -0.23 1.57 -1.30 0.00 0.00 177.93 178.18 1ls8 h LYS 124 N -0.97 0.00 0.00 5.26 2.10 -0.59 -1.82 116.57 120.56 1ls8 h LYS 124 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 1ls8 h LYS 124 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 1ls8 h LYS 124 CO 0.03 0.23 0.00 1.28 -2.00 0.00 0.00 179.45 178.99 1ls8 n LEU 125 N -3.97 0.00 -0.56 7.07 4.77 0.14 -4.86 117.00 119.59 1ls8 n LEU 125 Ca -0.02 0.34 -0.07 0.00 -0.03 0.00 0.00 56.01 56.23 1ls8 n LEU 125 Cb 0.31 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 1ls8 n LEU 125 CO 0.35 -0.21 -0.07 -3.20 -1.33 0.00 0.00 177.39 172.93 1ls8 n ASN 126 N -1.34 -5.20 -1.88 -1.43 5.15 -0.68 -4.91 115.26 104.97 1ls8 n ASN 126 Ca 0.05 0.18 -0.17 0.00 -0.60 0.00 0.00 54.58 54.04 1ls8 n ASN 126 Cb 0.10 -3.35 0.05 0.00 -0.53 0.00 0.00 39.78 36.05 1ls8 n ASN 126 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1ls8 n TRP 127 N -2.35 1.65 -3.70 1.20 8.01 -0.60 -4.67 117.44 116.98 1ls8 n TRP 127 Ca -0.07 -1.91 -0.37 0.00 -1.31 0.00 0.00 57.50 53.84 1ls8 n TRP 127 Cb 0.46 -0.93 -0.09 0.00 -2.01 0.00 0.00 31.31 28.74 1ls8 n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ls8 s ALA 128 N -1.92 3.64 0.62 6.99 0.00 -1.25 -4.88 121.76 124.96 1ls8 s ALA 128 Ca 0.33 -3.33 -0.04 0.00 0.00 0.00 0.00 51.96 48.92 1ls8 s ALA 128 Cb 0.26 -2.70 0.04 0.00 0.00 0.00 0.00 23.12 20.72 1ls8 s ALA 128 CO 0.00 -2.12 0.90 -1.25 0.00 0.00 0.00 175.76 173.29 1ls8 s PRO 129 N -0.18 2.53 0.58 0.00 0.04 -1.26 -4.96 135.00 131.75 1ls8 s PRO 129 Ca 0.18 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.87 1ls8 s PRO 129 Cb -0.19 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1ls8 s PRO 129 CO -0.04 -0.89 0.00 0.43 0.04 0.00 0.00 177.00 176.54 1ls8 n SER 130 N -2.62 -7.85 -0.00 6.66 7.64 -1.26 -4.91 113.62 111.28 1ls8 n SER 130 Ca 0.07 1.64 0.06 0.00 1.01 0.00 0.00 58.87 61.64 1ls8 n SER 130 Cb 0.59 -4.95 -0.08 0.00 -1.01 0.00 0.00 64.21 58.76 1ls8 n SER 130 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1ls8 n MET 131 N -3.33 1.42 -0.00 1.43 2.81 -1.26 -4.93 117.12 113.26 1ls8 n MET 131 Ca -0.04 -0.07 -0.01 0.00 -1.81 0.00 0.00 57.70 55.77 1ls8 n MET 131 Cb 0.55 -1.19 -0.00 0.00 -0.71 0.00 0.00 33.22 31.86 1ls8 n MET 131 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1ls8 n ASP 132 N -1.67 0.34 -3.75 7.83 9.92 -1.26 -5.04 116.55 122.92 1ls8 n ASP 132 Ca -0.01 0.05 -0.13 0.00 -0.53 0.00 0.00 54.79 54.17 1ls8 n ASP 132 Cb 0.26 -0.27 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 1ls8 n ASP 132 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ls8 s VAL 133 N -1.32 0.05 0.00 2.53 0.11 -1.26 -5.06 120.40 115.44 1ls8 s VAL 133 Ca -0.03 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.63 1ls8 s VAL 133 Cb 0.00 -0.62 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1ls8 s VAL 133 CO 0.04 -0.22 0.00 0.00 -3.33 0.00 0.00 175.10 171.59 1ls8 n ALA 134 N 1.45 0.72 -2.90 1.54 0.00 -1.26 -4.96 120.51 115.10 1ls8 n ALA 134 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 1ls8 n ALA 134 Cb 0.56 0.02 -0.13 0.00 0.00 0.00 0.00 19.45 19.90 1ls8 n ALA 134 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ls8 s VAL 135 N -0.72 0.05 0.00 0.00 1.01 -1.26 -5.00 120.40 114.48 1ls8 s VAL 135 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1ls8 s VAL 135 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.28 1ls8 s VAL 135 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.56 1ls8 n GLY 136 N 2.61 -0.19 0.00 4.51 0.00 -1.25 -4.54 105.19 106.34 1ls8 n GLY 136 Ca -0.16 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.61 1ls8 n GLY 136 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ls8 n GLU 137 N 0.00 0.00 -3.17 1.61 0.28 -1.26 -5.08 120.64 113.02 1ls8 n GLU 137 Ca 0.00 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.77 1ls8 n GLU 137 Cb 0.00 0.00 0.02 0.00 1.43 0.00 0.00 31.44 32.89 1ls8 n GLU 137 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1ls8 n ILE 138 N 0.00 -7.46 -1.71 3.84 5.41 -1.26 -4.86 119.36 113.32 1ls8 n ILE 138 Ca 0.00 0.53 -0.42 0.00 1.00 0.00 0.00 62.75 63.86 1ls8 n ILE 138 Cb 0.00 -5.38 -0.03 0.00 -0.71 0.00 0.00 39.64 33.52 1ls8 n ILE 138 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 1ls8 s LEU 139 N -2.46 3.44 0.86 1.39 1.98 -1.26 -4.95 118.68 117.68 1ls8 s LEU 139 Ca 0.30 1.54 -0.11 0.00 -2.89 0.00 0.00 54.13 52.97 1ls8 s LEU 139 Cb -0.05 -3.30 0.15 0.00 0.66 0.00 0.00 46.19 43.65 1ls8 s LEU 139 CO 0.80 -2.08 1.19 0.00 -1.89 0.00 0.00 176.35 174.37 1ls8 s ALA 140 N 8.69 2.72 0.00 5.97 0.00 -1.26 -4.27 121.76 133.60 1ls8 s ALA 140 Ca 0.94 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.70 1ls8 s ALA 140 Cb -0.27 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1ls8 s ALA 140 CO 0.32 -1.98 0.00 -0.85 0.00 0.00 0.00 175.76 173.26 1ls8 n GLU 141 N -3.40 0.00 0.00 0.00 -0.00 -1.26 -5.27 120.64 110.71 1ls8 n GLU 141 Ca 0.13 0.00 0.14 0.00 -0.00 0.00 0.00 57.16 57.43 1ls8 n GLU 141 Cb 0.60 -0.07 0.52 0.00 -0.00 0.00 0.00 31.44 32.48 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68