#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ls8 h GLN 2 N 0.00 0.00 0.00 -1.46 4.20 -2.00 -0.78 115.11 115.06 1ls8 h GLN 2 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1ls8 h GLN 2 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1ls8 h GLN 2 CO 0.00 0.00 -1.59 -1.91 -0.67 0.00 0.00 178.83 174.66 1ls8 n GLU 3 N -2.44 0.22 -0.35 1.46 4.07 -1.26 -4.60 120.64 117.75 1ls8 n GLU 3 Ca -0.02 0.10 0.11 0.00 -0.06 0.00 0.00 57.16 57.29 1ls8 n GLU 3 Cb 0.13 -0.89 0.23 0.00 -0.06 0.00 0.00 31.44 30.85 1ls8 n GLU 3 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1ls8 n VAL 4 N -3.43 -0.42 -0.16 6.31 0.31 -1.06 -0.24 118.33 119.65 1ls8 n VAL 4 Ca -0.21 2.22 -0.08 0.00 -0.01 0.00 0.00 64.34 66.27 1ls8 n VAL 4 Cb 0.65 -3.18 0.01 0.00 -0.91 0.00 0.00 33.84 30.41 1ls8 n VAL 4 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1ls8 h MET 5 N 0.00 0.64 -0.42 5.55 2.86 -1.43 0.42 114.93 122.55 1ls8 h MET 5 Ca 0.55 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 58.03 1ls8 h MET 5 Cb 1.03 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.55 1ls8 h MET 5 CO -0.97 0.48 -0.16 -0.22 1.06 0.00 0.00 176.91 177.10 1ls8 h LYS 6 N 0.62 0.79 -0.61 1.72 3.64 -1.18 -3.26 116.57 118.29 1ls8 h LYS 6 Ca 0.17 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 1ls8 h LYS 6 Cb 0.01 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1ls8 h LYS 6 CO -0.03 0.89 0.17 -0.97 -2.27 0.00 0.00 179.45 177.25 1ls8 h ASN 7 N 0.70 0.90 0.00 4.20 -1.24 -0.01 -1.41 115.58 118.72 1ls8 h ASN 7 Ca 0.11 -0.22 0.00 0.00 0.71 0.00 0.00 56.30 56.90 1ls8 h ASN 7 Cb 0.65 -0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.47 1ls8 h ASN 7 CO 0.05 0.88 0.07 0.18 -1.29 0.00 0.00 177.43 177.31 1ls8 n LEU 8 N -4.38 0.25 -3.55 0.34 4.77 0.08 -3.27 117.00 111.26 1ls8 n LEU 8 Ca 0.03 0.58 -0.39 0.00 -0.03 0.00 0.00 56.01 56.20 1ls8 n LEU 8 Cb 0.22 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 1ls8 n LEU 8 CO 0.40 -0.66 2.36 -1.20 -1.33 0.00 0.00 177.39 176.96 1ls8 n SER 9 N -1.83 3.60 0.00 -1.43 7.64 -0.53 -4.22 113.62 116.86 1ls8 n SER 9 Ca -0.01 -2.64 0.00 0.00 1.01 0.00 0.00 58.87 57.23 1ls8 n SER 9 Cb 0.08 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.03 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 6.35 0.00 0.25 -3.43 4.32 -1.20 -4.76 117.00 118.53 1ls8 n LEU 10 Ca 0.51 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.59 1ls8 n LEU 10 Cb 0.34 0.00 0.63 0.00 -1.62 0.00 0.00 43.42 42.77 1ls8 n LEU 10 CO 0.94 0.00 0.96 -0.55 -1.22 0.00 0.00 177.39 177.52 1ls8 h ASN 11 N 0.00 0.00 0.00 -1.43 7.08 -1.93 -3.36 115.58 115.94 1ls8 h ASN 11 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1ls8 h ASN 11 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1ls8 h ASN 11 CO 0.00 0.13 0.00 0.33 -2.08 0.00 0.00 177.43 175.81 1ls8 n PHE 12 N -4.08 0.00 0.12 4.14 -0.00 -1.26 -0.73 117.46 115.65 1ls8 n PHE 12 Ca -0.02 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.49 1ls8 n PHE 12 Cb 0.21 -0.39 0.02 0.00 -0.00 0.00 0.00 39.48 39.33 1ls8 n PHE 12 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1ls8 h GLY 13 N 0.00 0.00 1.13 7.13 0.00 -1.90 -3.17 103.07 106.26 1ls8 h GLY 13 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.35 1ls8 h GLY 13 CO 0.00 0.00 0.56 1.70 0.00 0.00 0.00 176.54 178.80 1ls8 h LYS 14 N 0.00 1.07 0.00 4.80 3.64 -1.66 -0.58 116.57 123.85 1ls8 h LYS 14 Ca -0.04 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1ls8 h LYS 14 Cb 1.23 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1ls8 h LYS 14 CO 0.03 0.71 0.00 0.00 -2.27 0.00 0.00 179.45 177.92 1ls8 h ALA 15 N 1.49 1.00 -0.82 5.00 0.00 -0.90 -3.24 119.26 121.79 1ls8 h ALA 15 Ca 0.32 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.31 1ls8 h ALA 15 Cb -0.07 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 1ls8 h ALA 15 CO -0.08 0.00 0.48 1.25 0.00 0.00 0.00 179.25 180.90 1ls8 h LEU 16 N 0.00 0.70 -1.00 0.00 5.85 -1.12 -1.48 115.31 118.26 1ls8 h LEU 16 Ca 0.00 0.04 0.24 0.00 0.84 0.00 0.00 57.88 59.00 1ls8 h LEU 16 Cb 0.52 -0.10 -0.12 0.00 0.37 0.00 0.00 40.66 41.33 1ls8 h LEU 16 CO 0.00 0.42 0.59 -0.78 -0.34 0.00 0.00 178.44 178.32 1ls8 h ASP 17 N 0.82 0.67 -0.04 1.25 1.82 -1.66 0.40 116.42 119.68 1ls8 h ASP 17 Ca 0.38 0.14 -0.05 0.00 -0.39 0.00 0.00 57.03 57.11 1ls8 h ASP 17 Cb 0.30 0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.35 1ls8 h ASP 17 CO -0.22 0.11 -0.16 -0.33 -1.61 0.00 0.00 179.24 177.02 1ls8 h GLU 18 N 0.59 0.18 -0.02 0.28 5.08 -1.49 -1.49 114.58 117.70 1ls8 h GLU 18 Ca 0.64 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.75 1ls8 h GLU 18 Cb 1.20 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1ls8 h GLU 18 CO -0.47 0.79 -0.51 0.00 -1.00 0.00 0.00 179.01 177.81 1ls8 h LYS 20 N 0.04 0.71 0.30 0.00 1.57 -0.16 0.14 116.57 119.18 1ls8 h LYS 20 Ca -0.00 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1ls8 h LYS 20 Cb 0.92 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 1ls8 h LYS 20 CO 0.07 0.73 -0.35 -0.22 -0.57 0.00 0.00 179.45 179.11 1ls8 h LYS 21 N 0.58 -0.64 0.00 3.15 1.63 -1.12 -0.60 116.57 119.58 1ls8 h LYS 21 Ca 0.13 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.96 1ls8 h LYS 21 Cb 0.35 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1ls8 h LYS 21 CO 0.01 -0.43 -0.07 0.93 -3.45 0.00 0.00 179.45 176.44 1ls8 h GLU 22 N -0.66 0.00 -0.01 1.90 4.39 -0.25 -2.00 114.58 117.94 1ls8 h GLU 22 Ca -0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1ls8 h GLU 22 Cb 0.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1ls8 h GLU 22 CO -0.07 0.07 -0.03 -1.33 -1.16 0.00 0.00 179.01 176.49 1ls8 n MET 23 N -3.59 0.53 -3.83 2.33 2.81 0.42 -5.02 117.12 110.77 1ls8 n MET 23 Ca -0.02 -0.85 -0.27 0.00 -1.81 0.00 0.00 57.70 54.75 1ls8 n MET 23 Cb 0.19 -1.11 0.01 0.00 -0.71 0.00 0.00 33.22 31.60 1ls8 n MET 23 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1ls8 n THR 24 N 0.26 -4.19 -1.77 2.03 -1.04 -0.29 -4.99 114.28 104.30 1ls8 n THR 24 Ca 0.04 -0.65 -0.31 0.00 -2.04 0.00 0.00 64.05 61.09 1ls8 n THR 24 Cb 0.18 -3.38 0.03 0.00 -1.82 0.00 0.00 70.33 65.34 1ls8 n THR 24 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1ls8 s LEU 25 N -6.77 3.14 0.66 -4.42 1.43 -0.87 -5.05 118.68 106.81 1ls8 s LEU 25 Ca 0.16 1.44 -0.04 0.00 -1.03 0.00 0.00 54.13 54.66 1ls8 s LEU 25 Cb -0.06 -4.40 0.06 0.00 0.03 0.00 0.00 46.19 41.82 1ls8 s LEU 25 CO 0.87 -1.13 0.94 0.42 0.23 0.00 0.00 176.35 177.69 1ls8 s THR 26 N -3.16 2.38 -1.07 5.49 -4.23 -1.26 -4.85 115.64 108.94 1ls8 s THR 26 Ca 0.56 -0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.65 1ls8 s THR 26 Cb -0.12 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 71.01 1ls8 s THR 26 CO 0.54 0.00 1.96 0.47 -0.54 0.00 0.00 174.62 177.05 1ls8 n ASP 27 N -2.75 7.50 0.00 3.99 8.00 -1.26 -3.80 116.55 128.23 1ls8 n ASP 27 Ca 0.08 -3.58 0.00 0.00 0.71 0.00 0.00 54.79 52.00 1ls8 n ASP 27 Cb 0.60 -1.20 0.00 0.00 -0.02 0.00 0.00 41.12 40.50 1ls8 n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ls8 n ALA 28 N 0.29 1.81 0.07 2.24 0.00 -1.26 -4.87 120.51 118.79 1ls8 n ALA 28 Ca 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.80 1ls8 n ALA 28 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 1ls8 n ALA 28 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 1ls8 h ILE 29 N 0.00 1.41 0.00 0.00 3.07 -1.96 -3.24 117.51 116.79 1ls8 h ILE 29 Ca 0.00 -2.52 -0.01 0.00 1.55 0.00 0.00 64.86 63.88 1ls8 h ILE 29 Cb 0.00 2.49 -0.00 0.00 -0.27 0.00 0.00 36.82 39.04 1ls8 h ILE 29 CO 0.00 0.75 -0.06 0.78 -1.05 0.00 0.00 178.15 178.57 1ls8 h ASN 30 N 0.21 0.00 0.00 2.16 2.35 -1.89 0.24 115.58 118.66 1ls8 h ASN 30 Ca -0.09 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 1ls8 h ASN 30 Cb 1.64 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.01 1ls8 h ASN 30 CO 0.17 0.06 -0.00 -0.33 -1.65 0.00 0.00 177.43 175.68 1ls8 h GLU 31 N 0.00 0.00 0.00 0.81 4.39 -1.92 0.16 114.58 118.02 1ls8 h GLU 31 Ca -0.00 0.00 -0.37 0.00 0.34 0.00 0.00 59.36 59.33 1ls8 h GLU 31 Cb 0.14 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.72 1ls8 h GLU 31 CO 0.01 0.00 -2.38 -0.25 -1.16 0.00 0.00 179.01 175.23 1ls8 n ASP 32 N -3.63 0.67 0.23 1.42 8.00 0.03 -4.09 116.55 119.18 1ls8 n ASP 32 Ca -0.03 -0.02 0.07 0.00 0.71 0.00 0.00 54.79 55.52 1ls8 n ASP 32 Cb 0.08 0.50 0.54 0.00 -0.02 0.00 0.00 41.12 42.21 1ls8 n ASP 32 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1ls8 h PHE 33 N 0.00 0.00 0.00 1.24 0.04 -1.13 -3.37 116.94 113.72 1ls8 h PHE 33 Ca -0.54 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.00 1ls8 h PHE 33 Cb 2.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.28 1ls8 h PHE 33 CO 0.01 0.19 1.63 0.98 -0.60 0.00 0.00 178.31 180.53 1ls8 n TYR 34 N -4.14 0.74 -1.62 -0.55 9.36 0.02 -4.68 117.16 116.28 1ls8 n TYR 34 Ca -0.02 -1.33 0.00 0.00 3.32 0.00 0.00 57.90 59.87 1ls8 n TYR 34 Cb 0.26 -1.27 0.00 0.00 -0.63 0.00 0.00 39.34 37.71 1ls8 n TYR 34 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 1ls8 n ASN 35 N 3.95 -7.99 -0.16 2.98 5.15 -1.26 -4.86 115.26 113.08 1ls8 n ASN 35 Ca 0.29 1.11 -0.02 0.00 -0.60 0.00 0.00 54.58 55.37 1ls8 n ASN 35 Cb 0.18 -4.10 0.07 0.00 -0.53 0.00 0.00 39.78 35.39 1ls8 n ASN 35 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1ls8 h PHE 36 N 2.87 0.12 0.00 1.20 3.57 -1.84 -3.47 116.94 119.39 1ls8 h PHE 36 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ls8 h PHE 36 Cb 0.00 0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.76 1ls8 h PHE 36 CO 0.00 -0.03 0.00 1.87 -2.23 0.00 0.00 178.31 177.92 1ls8 n TRP 37 N -5.14 0.00 -3.16 0.41 -0.00 -1.26 -4.94 117.44 103.34 1ls8 n TRP 37 Ca 0.06 0.00 -0.20 0.00 -0.00 0.00 0.00 57.50 57.36 1ls8 n TRP 37 Cb 0.26 0.04 0.02 0.00 -0.00 0.00 0.00 31.31 31.62 1ls8 n TRP 37 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1ls8 n LYS 38 N 12.86 -2.10 0.00 5.87 4.01 -1.26 -4.88 118.16 132.66 1ls8 n LYS 38 Ca 0.00 1.75 0.10 0.00 -0.51 0.00 0.00 58.31 59.65 1ls8 n LYS 38 Cb 0.00 -4.15 0.52 0.00 -0.51 0.00 0.00 35.03 30.90 1ls8 n LYS 38 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1ls8 n GLU 39 N -0.48 0.33 -0.45 1.97 0.28 -1.26 -3.96 120.64 117.06 1ls8 n GLU 39 Ca 0.01 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 1ls8 n GLU 39 Cb 0.56 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.93 1ls8 n GLU 39 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ls8 n GLY 40 N 0.42 0.94 3.12 -1.84 0.00 -1.26 -5.08 105.19 101.48 1ls8 n GLY 40 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 1ls8 n GLY 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ls8 s TYR 41 N 0.00 3.45 -0.09 1.61 6.14 -1.25 -5.08 117.35 122.13 1ls8 s TYR 41 Ca 0.00 -2.29 -0.30 0.00 0.64 0.00 0.00 57.07 55.12 1ls8 s TYR 41 Cb 0.00 -2.55 -0.02 0.00 0.42 0.00 0.00 41.96 39.81 1ls8 s TYR 41 CO 0.00 -0.89 1.12 -2.00 0.64 0.00 0.00 175.55 174.42 1ls8 s GLU 42 N 1.14 4.37 -0.28 4.97 2.56 -1.26 -4.89 118.70 125.31 1ls8 s GLU 42 Ca 0.01 1.55 -0.28 0.00 0.00 0.00 0.00 54.97 56.25 1ls8 s GLU 42 Cb -0.20 -3.56 -0.03 0.00 2.00 0.00 0.00 34.13 32.33 1ls8 s GLU 42 CO -0.04 -0.41 1.97 0.42 -0.56 0.00 0.00 175.26 176.64 1ls8 s ILE 43 N 2.23 3.29 0.23 -3.70 1.01 -1.26 -4.88 121.20 118.11 1ls8 s ILE 43 Ca 0.52 0.29 -0.01 0.00 0.00 0.00 0.00 60.65 61.45 1ls8 s ILE 43 Cb -0.22 -3.39 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1ls8 s ILE 43 CO 0.19 -0.24 1.60 0.11 0.00 0.00 0.00 174.94 176.60 1ls8 h LYS 44 N 13.72 0.56 -6.24 2.79 1.57 -2.05 -3.42 116.57 123.50 1ls8 h LYS 44 Ca -0.37 -0.28 -0.56 0.00 -1.87 0.00 0.00 60.65 57.58 1ls8 h LYS 44 Cb 1.20 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 1ls8 h LYS 44 CO 1.00 0.86 1.06 -0.80 -0.57 0.00 0.00 179.45 181.00 1ls8 s ASN 45 N -6.85 6.64 0.48 0.86 -0.87 -1.26 -4.88 114.94 109.06 1ls8 s ASN 45 Ca -0.07 1.92 0.30 0.00 -1.57 0.00 0.00 52.86 53.43 1ls8 s ASN 45 Cb 0.12 -2.53 1.05 0.00 -0.02 0.00 0.00 41.25 39.87 1ls8 s ASN 45 CO 0.82 -0.99 1.86 0.08 -2.57 0.00 0.00 177.10 176.30 1ls8 h ARG 46 N 9.60 0.00 -0.61 -0.60 -0.00 -1.96 -3.33 114.38 117.48 1ls8 h ARG 46 Ca -0.35 0.00 0.08 0.00 -0.00 0.00 0.00 59.98 59.72 1ls8 h ARG 46 Cb 1.15 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 31.09 1ls8 h ARG 46 CO 0.97 0.00 0.41 0.93 -0.00 0.00 0.00 179.97 182.28 1ls8 h GLU 47 N 0.00 0.48 0.54 0.08 5.08 -1.96 0.01 114.58 118.81 1ls8 h GLU 47 Ca 0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1ls8 h GLU 47 Cb 0.62 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ls8 h GLU 47 CO 0.00 0.32 -0.35 1.15 -1.00 0.00 0.00 179.01 179.13 1ls8 h THR 48 N 0.49 0.00 0.00 1.13 2.02 -1.91 -0.44 112.91 114.20 1ls8 h THR 48 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 1ls8 h THR 48 Cb 0.43 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1ls8 h THR 48 CO -0.08 0.00 0.00 1.23 0.37 0.00 0.00 175.52 177.04 1ls8 h GLY 49 N -0.83 0.00 0.80 2.16 0.00 -1.76 -2.24 103.07 101.19 1ls8 h GLY 49 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.30 1ls8 h GLY 49 CO 0.06 0.00 0.41 0.00 0.00 0.00 0.00 176.54 177.01 1ls8 h ALA 51 N 1.32 0.69 -0.36 0.00 0.00 -0.51 -2.63 119.26 117.77 1ls8 h ALA 51 Ca 0.29 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ls8 h ALA 51 Cb 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1ls8 h ALA 51 CO -0.14 0.33 0.21 0.82 0.00 0.00 0.00 179.25 180.48 1ls8 h ILE 52 N 0.72 1.12 -0.23 0.00 2.04 -0.86 0.51 117.51 120.82 1ls8 h ILE 52 Ca 0.17 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.80 1ls8 h ILE 52 Cb 0.25 0.67 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 1ls8 h ILE 52 CO -0.01 0.13 -0.21 -0.03 0.00 0.00 0.00 178.15 178.03 1ls8 h MET 53 N 0.47 -0.21 -0.35 2.37 4.05 -1.21 0.01 114.93 120.06 1ls8 h MET 53 Ca 0.13 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.63 1ls8 h MET 53 Cb 0.02 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 30.81 1ls8 h MET 53 CO -0.02 -0.14 -0.01 0.00 0.23 0.00 0.00 176.91 176.97 1ls8 h LEU 55 N 0.09 -0.79 -0.69 0.00 3.38 -0.05 -1.00 115.31 116.24 1ls8 h LEU 55 Ca 0.17 0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.09 1ls8 h LEU 55 Cb 0.24 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1ls8 h LEU 55 CO -0.29 -0.41 -0.35 0.28 0.09 0.00 0.00 178.44 177.76 1ls8 h SER 56 N -0.59 0.64 0.33 -0.43 0.02 -0.72 0.11 113.55 112.91 1ls8 h SER 56 Ca -0.00 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1ls8 h SER 56 Cb 0.56 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1ls8 h SER 56 CO -0.08 0.94 -0.44 0.74 -1.14 0.00 0.00 176.83 176.84 1ls8 h THR 57 N 0.52 0.12 0.00 -2.27 2.02 -1.12 0.23 112.91 112.41 1ls8 h THR 57 Ca 0.05 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.19 1ls8 h THR 57 Cb 0.85 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1ls8 h THR 57 CO 0.07 0.00 -0.21 0.50 0.37 0.00 0.00 175.52 176.25 1ls8 h LYS 58 N -0.82 0.00 -0.08 6.66 1.63 -0.26 -1.34 116.57 122.36 1ls8 h LYS 58 Ca -0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1ls8 h LYS 58 Cb 0.76 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 1ls8 h LYS 58 CO -0.13 0.21 0.00 1.28 -3.45 0.00 0.00 179.45 177.36 1ls8 n LEU 59 N -4.16 1.05 -3.42 5.20 4.77 0.29 -4.94 117.00 115.80 1ls8 n LEU 59 Ca -0.02 -0.42 -0.15 0.00 -0.03 0.00 0.00 56.01 55.39 1ls8 n LEU 59 Cb 0.27 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 1ls8 n LEU 59 CO 0.36 0.21 0.06 0.59 -1.33 0.00 0.00 177.39 177.28 1ls8 n ASN 60 N -0.11 -6.34 0.00 -1.43 3.02 -0.50 -4.89 115.26 105.00 1ls8 n ASN 60 Ca 0.17 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 1ls8 n ASN 60 Cb 0.25 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.55 1ls8 n ASN 60 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1ls8 n MET 61 N -2.70 0.57 -4.25 3.52 1.56 0.77 -4.63 117.12 111.96 1ls8 n MET 61 Ca -0.11 0.00 -0.28 0.00 -0.27 0.00 0.00 57.70 57.04 1ls8 n MET 61 Cb 0.58 -0.95 -0.09 0.00 2.15 0.00 0.00 33.22 34.91 1ls8 n MET 61 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 1ls8 s LEU 62 N -2.73 3.05 0.69 -0.89 1.43 -1.21 -3.60 118.68 115.42 1ls8 s LEU 62 Ca 0.00 -0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1ls8 s LEU 62 Cb 0.00 -1.78 0.05 0.00 0.03 0.00 0.00 46.19 44.49 1ls8 s LEU 62 CO 0.00 0.13 1.01 1.51 0.23 0.00 0.00 176.35 179.23 1ls8 s ASP 63 N -2.61 5.00 -0.29 2.29 -4.77 0.10 -4.79 116.67 111.61 1ls8 s ASP 63 Ca 0.24 0.59 -0.02 0.00 -3.30 0.00 0.00 52.55 50.06 1ls8 s ASP 63 Cb -0.10 -1.31 0.14 0.00 -1.09 0.00 0.00 42.92 40.57 1ls8 s ASP 63 CO 0.15 -1.49 2.20 -0.81 0.70 0.00 0.00 175.17 175.92 1ls8 n PRO 64 N -2.89 1.81 0.01 2.11 -0.04 -1.26 -3.40 135.00 131.34 1ls8 n PRO 64 Ca 0.07 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1ls8 n PRO 64 Cb 0.60 -1.64 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 1ls8 n PRO 64 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ls8 n GLU 65 N 0.66 0.00 0.00 0.54 2.13 -1.26 -5.06 120.64 117.65 1ls8 n GLU 65 Ca 0.30 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.12 1ls8 n GLU 65 Cb 0.58 -0.28 0.00 0.00 0.27 0.00 0.00 31.44 32.01 1ls8 n GLU 65 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ls8 n GLY 66 N 2.36 0.09 3.20 8.31 0.00 -1.22 -5.15 105.19 112.78 1ls8 n GLY 66 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1ls8 n GLY 66 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ls8 s ASN 67 N -0.16 3.01 0.55 1.61 0.01 -1.26 -5.00 114.94 113.70 1ls8 s ASN 67 Ca 0.00 -0.55 -0.20 0.00 -0.71 0.00 0.00 52.86 51.41 1ls8 s ASN 67 Cb 0.00 -1.38 -0.05 0.00 0.41 0.00 0.00 41.25 40.23 1ls8 s ASN 67 CO 0.00 0.15 1.17 -0.22 -1.51 0.00 0.00 177.10 176.69 1ls8 s LEU 68 N 0.40 3.75 -0.02 0.60 0.20 -1.26 -0.72 118.68 121.63 1ls8 s LEU 68 Ca -0.18 2.30 0.07 0.00 0.69 0.00 0.00 54.13 57.01 1ls8 s LEU 68 Cb -0.18 -4.54 -0.02 0.00 -0.43 0.00 0.00 46.19 41.03 1ls8 s LEU 68 CO 0.08 -1.34 -0.22 -2.28 -0.29 0.00 0.00 176.35 172.30 1ls8 s HIS 69 N -1.66 1.97 0.08 5.38 5.65 -1.24 -4.90 115.29 120.57 1ls8 s HIS 69 Ca 0.73 -0.37 -0.22 0.00 0.25 0.00 0.00 55.06 55.45 1ls8 s HIS 69 Cb -0.28 -1.27 -0.08 0.00 -1.18 0.00 0.00 32.58 29.77 1ls8 s HIS 69 CO 0.31 -0.03 1.36 0.45 -0.65 0.00 0.00 174.74 176.17 1ls8 h HIS 70 N 5.60 -1.05 -0.22 3.88 -0.00 -1.96 0.44 115.15 121.83 1ls8 h HIS 70 Ca -0.40 0.04 -0.20 0.00 -0.00 0.00 0.00 60.37 59.81 1ls8 h HIS 70 Cb 1.13 0.47 0.00 0.00 -0.00 0.00 0.00 27.41 29.01 1ls8 h HIS 70 CO 0.39 -0.36 -0.63 0.78 -0.00 0.00 0.00 177.93 178.11 1ls8 h GLY 71 N -0.38 0.87 0.95 2.45 0.00 -1.97 -0.89 103.07 104.08 1ls8 h GLY 71 Ca 0.02 -1.09 -0.04 0.00 0.00 0.00 0.00 47.33 46.23 1ls8 h GLY 71 CO -0.28 0.97 0.12 -0.57 0.00 0.00 0.00 176.54 176.78 1ls8 h ASN 72 N 0.58 0.63 -0.31 0.19 -0.00 -1.85 0.01 115.58 114.83 1ls8 h ASN 72 Ca -0.01 -0.22 -0.02 0.00 -0.00 0.00 0.00 56.30 56.05 1ls8 h ASN 72 Cb 1.24 -0.17 -0.01 0.00 -0.00 0.00 0.00 38.32 39.38 1ls8 h ASN 72 CO 0.13 0.68 0.12 0.00 -0.00 0.00 0.00 177.43 178.36 1ls8 h ALA 73 N 0.97 0.40 -0.58 1.57 0.00 -0.94 -2.97 119.26 117.72 1ls8 h ALA 73 Ca 0.14 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.05 1ls8 h ALA 73 Cb 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1ls8 h ALA 73 CO -0.00 0.00 0.40 1.98 0.00 0.00 0.00 179.25 181.63 1ls8 h MET 74 N 0.34 0.20 0.00 0.00 1.85 -0.55 -0.53 114.93 116.24 1ls8 h MET 74 Ca 0.10 -0.01 -0.08 0.00 -0.61 0.00 0.00 59.70 59.10 1ls8 h MET 74 Cb 0.19 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.17 1ls8 h MET 74 CO -0.01 0.13 -0.39 0.93 -0.40 0.00 0.00 176.91 177.18 1ls8 h GLU 75 N 0.20 0.00 -0.05 0.39 5.08 -0.84 0.22 114.58 119.59 1ls8 h GLU 75 Ca 0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1ls8 h GLU 75 Cb 0.80 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 1ls8 h GLU 75 CO -0.05 0.39 -0.02 0.35 -1.00 0.00 0.00 179.01 178.68 1ls8 h PHE 76 N 0.00 0.11 -0.67 4.33 3.57 -1.16 -3.17 116.94 119.95 1ls8 h PHE 76 Ca -0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1ls8 h PHE 76 Cb 0.77 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1ls8 h PHE 76 CO 0.00 0.48 0.42 0.00 -2.23 0.00 0.00 178.31 176.98 1ls8 h ALA 77 N 0.62 1.48 0.00 2.41 0.00 -1.06 -1.90 119.26 120.81 1ls8 h ALA 77 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ls8 h ALA 77 Cb 0.45 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ls8 h ALA 77 CO 0.01 0.46 0.00 0.36 0.00 0.00 0.00 179.25 180.08 1ls8 n LYS 78 N -4.42 0.03 0.07 0.00 2.85 0.75 -1.89 118.16 115.55 1ls8 n LYS 78 Ca 0.07 0.20 0.14 0.00 -1.05 0.00 0.00 58.31 57.67 1ls8 n LYS 78 Cb 0.05 -1.55 0.62 0.00 -0.65 0.00 0.00 35.03 33.51 1ls8 n LYS 78 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 1ls8 h LYS 79 N 0.00 0.10 -0.00 -1.58 1.63 -1.31 -0.88 116.57 114.53 1ls8 h LYS 79 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1ls8 h LYS 79 Cb 0.35 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1ls8 h LYS 79 CO 0.00 0.07 -0.44 1.58 -3.45 0.00 0.00 179.45 177.20 1ls8 n HIS 80 N -4.45 0.00 -0.64 1.91 -0.00 -1.21 -5.05 115.22 105.78 1ls8 n HIS 80 Ca 0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.23 1ls8 n HIS 80 Cb 0.37 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.24 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 1.22 0.57 3.42 1.57 0.00 -0.34 -5.08 105.19 106.55 1ls8 n GLY 81 Ca 0.02 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 1ls8 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ls8 n ALA 82 N -0.38 -3.04 -1.81 4.61 0.00 -0.79 -4.95 120.51 114.15 1ls8 n ALA 82 Ca 0.00 -1.03 -0.33 0.00 0.00 0.00 0.00 53.44 52.08 1ls8 n ALA 82 Cb 0.17 -1.81 -0.06 0.00 0.00 0.00 0.00 19.45 17.75 1ls8 n ALA 82 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ls8 s ASP 83 N -2.16 6.76 0.02 0.00 1.11 -1.26 -4.90 116.67 116.25 1ls8 s ASP 83 Ca 0.62 1.74 -0.25 0.00 0.18 0.00 0.00 52.55 54.83 1ls8 s ASP 83 Cb -0.19 -2.54 -0.18 0.00 1.07 0.00 0.00 42.92 41.07 1ls8 s ASP 83 CO 0.65 -0.49 1.42 -0.08 1.18 0.00 0.00 175.17 177.85 1ls8 h GLU 84 N 1.73 -0.05 0.70 8.23 4.81 -1.98 -0.72 114.58 127.30 1ls8 h GLU 84 Ca -0.49 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 1ls8 h GLU 84 Cb 1.19 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.59 1ls8 h GLU 84 CO 0.61 0.26 -0.33 1.15 -0.73 0.00 0.00 179.01 179.96 1ls8 h THR 85 N -0.36 0.30 -0.35 0.32 2.02 -1.98 -0.61 112.91 112.26 1ls8 h THR 85 Ca -0.01 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1ls8 h THR 85 Cb 0.33 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1ls8 h THR 85 CO 0.01 0.01 0.21 -0.03 0.37 0.00 0.00 175.52 176.08 1ls8 h MET 86 N -0.96 0.41 -0.76 6.66 4.05 -1.95 0.94 114.93 123.32 1ls8 h MET 86 Ca -0.10 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.27 1ls8 h MET 86 Cb 0.73 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.40 1ls8 h MET 86 CO 0.16 0.27 0.36 0.00 0.23 0.00 0.00 176.91 177.93 1ls8 h ALA 87 N 1.15 1.20 -0.30 0.39 0.00 -1.10 -2.32 119.26 118.28 1ls8 h ALA 87 Ca 0.14 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 1ls8 h ALA 87 Cb -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1ls8 h ALA 87 CO -0.06 0.60 -0.44 0.37 0.00 0.00 0.00 179.25 179.73 1ls8 h GLN 88 N 1.07 0.83 -0.48 0.00 5.75 0.07 -2.26 115.11 120.10 1ls8 h GLN 88 Ca 0.26 -0.49 0.04 0.00 -0.15 0.00 0.00 58.65 58.31 1ls8 h GLN 88 Cb 0.12 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.67 1ls8 h GLN 88 CO -0.03 1.13 0.25 1.96 -2.65 0.00 0.00 178.83 179.48 1ls8 h GLN 89 N 0.60 0.47 0.00 1.69 1.08 -0.68 0.25 115.11 118.54 1ls8 h GLN 89 Ca 0.03 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ls8 h GLN 89 Cb 1.04 -0.11 -0.00 0.00 -0.05 0.00 0.00 27.48 28.36 1ls8 h GLN 89 CO 0.10 0.31 -0.00 -0.07 -0.95 0.00 0.00 178.83 178.22 1ls8 h LEU 90 N 0.49 0.00 0.01 1.46 4.07 -1.20 0.25 115.31 120.38 1ls8 h LEU 90 Ca 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.14 1ls8 h LEU 90 Cb 0.11 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1ls8 h LEU 90 CO -0.14 0.00 -0.10 0.40 -1.08 0.00 0.00 178.44 177.52 1ls8 h ILE 91 N 0.00 1.67 -0.63 1.22 2.04 -0.75 -3.21 117.51 117.85 1ls8 h ILE 91 Ca -0.00 -2.10 -0.09 0.00 1.00 0.00 0.00 64.86 63.67 1ls8 h ILE 91 Cb 0.36 3.07 -0.02 0.00 -0.74 0.00 0.00 36.82 39.49 1ls8 h ILE 91 CO 0.00 0.55 0.03 -0.78 0.00 0.00 0.00 178.15 177.96 1ls8 h ASP 92 N -0.79 1.06 0.07 1.72 3.58 -0.12 -0.53 116.42 121.42 1ls8 h ASP 92 Ca -0.01 -0.29 0.01 0.00 0.42 0.00 0.00 57.03 57.16 1ls8 h ASP 92 Cb 0.96 -0.29 -0.04 0.00 1.72 0.00 0.00 39.33 41.68 1ls8 h ASP 92 CO 0.02 1.10 -0.46 0.40 -2.88 0.00 0.00 179.24 177.41 1ls8 h ILE 93 N 1.00 0.00 -0.35 2.25 2.04 -0.71 -0.65 117.51 121.09 1ls8 h ILE 93 Ca 0.18 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.10 1ls8 h ILE 93 Cb 0.53 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.56 1ls8 h ILE 93 CO 0.03 0.00 0.04 0.58 0.00 0.00 0.00 178.15 178.80 1ls8 h VAL 94 N -0.63 0.79 -0.23 1.67 2.07 -1.47 -0.81 116.25 117.66 1ls8 h VAL 94 Ca 0.00 -0.05 0.03 0.00 0.82 0.00 0.00 66.70 67.50 1ls8 h VAL 94 Cb 0.64 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1ls8 h VAL 94 CO -0.27 0.03 0.03 -0.74 0.02 0.00 0.00 177.57 176.63 1ls8 h HIS 95 N 0.15 0.04 0.00 1.57 -0.00 -0.76 0.25 115.15 116.40 1ls8 h HIS 95 Ca 0.17 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.49 1ls8 h HIS 95 Cb 0.21 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 1ls8 h HIS 95 CO -0.21 -0.00 -0.27 0.78 -0.00 0.00 0.00 177.93 178.23 1ls8 h GLY 96 N 0.11 0.00 0.96 5.26 0.00 -0.88 -0.80 103.07 107.72 1ls8 h GLY 96 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.28 1ls8 h GLY 96 CO -0.16 0.00 -0.51 0.00 0.00 0.00 0.00 176.54 175.87 1ls8 h GLU 98 N 0.28 0.73 0.03 0.00 5.08 -0.28 0.10 114.58 120.52 1ls8 h GLU 98 Ca -0.02 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1ls8 h GLU 98 Cb 1.14 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1ls8 h GLU 98 CO 0.11 0.49 -0.01 0.87 -1.00 0.00 0.00 179.01 179.46 1ls8 h LYS 99 N 0.76 -0.04 0.00 2.33 1.57 -1.10 -3.20 116.57 116.89 1ls8 h LYS 99 Ca 0.33 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.93 1ls8 h LYS 99 Cb 0.30 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1ls8 h LYS 99 CO -0.11 0.15 -0.84 1.03 -0.57 0.00 0.00 179.45 179.11 1ls8 h SER 100 N -0.22 0.09 -3.43 0.86 0.87 -1.18 -3.44 113.55 107.09 1ls8 h SER 100 Ca -0.00 -0.07 -0.52 0.00 -1.23 0.00 0.00 61.79 59.96 1ls8 h SER 100 Cb 0.20 -0.03 0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1ls8 h SER 100 CO 0.01 0.88 0.62 -0.89 -0.53 0.00 0.00 176.83 176.92 1ls8 s THR 101 N -3.16 3.30 0.70 2.23 2.01 0.33 -5.04 115.64 116.01 1ls8 s THR 101 Ca -0.01 1.09 -0.12 0.00 0.31 0.00 0.00 61.69 62.96 1ls8 s THR 101 Cb 0.11 -3.70 0.17 0.00 0.01 0.00 0.00 72.50 69.09 1ls8 s THR 101 CO 0.80 0.17 0.77 -0.81 -0.69 0.00 0.00 174.62 174.87 1ls8 n PRO 102 N 2.52 -1.57 -0.96 4.92 -0.04 -1.26 -4.88 135.00 133.73 1ls8 n PRO 102 Ca 0.05 -1.21 -0.29 0.00 -0.04 0.00 0.00 63.50 62.01 1ls8 n PRO 102 Cb 0.43 -0.95 0.23 0.00 -0.04 0.00 0.00 33.50 33.17 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 -3.51 0.38 0.11 0.55 0.00 -1.26 -4.92 121.76 113.11 1ls8 s ALA 103 Ca 0.46 -0.66 -0.14 0.00 0.00 0.00 0.00 51.96 51.63 1ls8 s ALA 103 Cb -0.03 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 20.11 1ls8 s ALA 103 CO 0.34 -3.54 0.33 1.21 0.00 0.00 0.00 175.76 174.10 1ls8 s ASN 104 N -3.50 -0.11 0.00 0.00 2.47 -1.26 -4.92 114.94 107.62 1ls8 s ASN 104 Ca 0.69 -0.42 0.02 0.00 0.42 0.00 0.00 52.86 53.57 1ls8 s ASN 104 Cb -0.15 0.42 0.14 0.00 -1.45 0.00 0.00 41.25 40.21 1ls8 s ASN 104 CO 0.58 -0.80 0.43 0.47 -3.72 0.00 0.00 177.10 174.06 1ls8 n ASP 105 N -0.13 0.00 -3.54 -4.21 9.92 -1.26 -4.53 116.55 112.80 1ls8 n ASP 105 Ca -0.16 -0.27 -0.05 0.00 -0.53 0.00 0.00 54.79 53.78 1ls8 n ASP 105 Cb 0.63 0.00 -0.07 0.00 -0.64 0.00 0.00 41.12 41.04 1ls8 n ASP 105 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1ls8 s ASP 106 N -1.90 -0.57 0.61 -2.24 -1.08 -1.26 -5.03 116.67 105.21 1ls8 s ASP 106 Ca 0.03 1.02 0.40 0.00 -0.52 0.00 0.00 52.55 53.49 1ls8 s ASP 106 Cb 0.02 1.68 2.06 0.00 -1.46 0.00 0.00 42.92 45.22 1ls8 s ASP 106 CO 0.03 -0.24 2.22 0.11 0.52 0.00 0.00 175.17 177.80 1ls8 h LYS 107 N 8.10 0.00 0.04 4.34 6.56 -2.00 -2.05 116.57 131.56 1ls8 h LYS 107 Ca -0.18 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.31 1ls8 h LYS 107 Cb 1.12 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.79 1ls8 h LYS 107 CO 0.16 0.00 -0.40 0.00 -2.06 0.00 0.00 179.45 177.14 1ls8 h ILE 109 N -0.51 1.26 -0.48 0.00 5.03 -1.80 0.96 117.51 121.97 1ls8 h ILE 109 Ca -0.06 -0.60 0.01 0.00 -0.12 0.00 0.00 64.86 64.09 1ls8 h ILE 109 Cb 1.22 -0.02 -0.03 0.00 -3.03 0.00 0.00 36.82 34.96 1ls8 h ILE 109 CO 0.08 0.28 0.31 -0.25 -0.68 0.00 0.00 178.15 177.89 1ls8 h TRP 110 N 1.28 0.59 0.42 1.37 7.01 -1.38 -2.30 115.95 122.94 1ls8 h TRP 110 Ca 0.33 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.33 1ls8 h TRP 110 Cb -0.02 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 26.83 1ls8 h TRP 110 CO 0.01 0.37 -0.30 1.15 -2.79 0.00 0.00 178.44 176.87 1ls8 h THR 111 N 0.64 0.38 -0.89 2.65 2.02 -0.43 -3.14 112.91 114.13 1ls8 h THR 111 Ca 0.18 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.59 1ls8 h THR 111 Cb -0.06 0.38 -0.13 0.00 -1.74 0.00 0.00 68.15 66.60 1ls8 h THR 111 CO -0.05 0.00 0.36 -0.07 0.37 0.00 0.00 175.52 176.13 1ls8 h LEU 112 N -0.71 0.25 0.67 2.58 -0.00 -0.41 0.48 115.31 118.17 1ls8 h LEU 112 Ca -0.04 0.17 -0.03 0.00 -0.00 0.00 0.00 57.88 57.98 1ls8 h LEU 112 Cb 0.60 0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 41.43 1ls8 h LEU 112 CO 0.01 -0.05 -0.39 1.23 -0.00 0.00 0.00 178.44 179.24 1ls8 h GLY 113 N 0.34 -1.13 0.90 0.83 0.00 -1.40 -1.66 103.07 100.95 1ls8 h GLY 113 Ca 0.57 0.45 0.05 0.00 0.00 0.00 0.00 47.33 48.41 1ls8 h GLY 113 CO -0.56 -0.39 0.59 -2.08 0.00 0.00 0.00 176.54 174.09 1ls8 h VAL 114 N -0.99 1.09 -0.65 4.60 2.07 -1.19 -2.04 116.25 119.15 1ls8 h VAL 114 Ca -0.09 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 1ls8 h VAL 114 Cb 0.78 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 1ls8 h VAL 114 CO 0.10 0.19 0.09 0.00 0.02 0.00 0.00 177.57 177.98 1ls8 h ALA 115 N 1.50 0.87 -0.08 1.67 0.00 -0.03 0.12 119.26 123.32 1ls8 h ALA 115 Ca 0.38 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1ls8 h ALA 115 Cb 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1ls8 h ALA 115 CO -0.13 0.65 -0.17 1.15 0.00 0.00 0.00 179.25 180.74 1ls8 h THR 116 N 1.01 1.41 -0.35 0.00 2.02 -0.98 -2.46 112.91 113.56 1ls8 h THR 116 Ca 0.20 -1.49 0.07 0.00 0.77 0.00 0.00 66.41 65.96 1ls8 h THR 116 Cb 0.46 2.20 -0.07 0.00 -1.74 0.00 0.00 68.15 69.00 1ls8 h THR 116 CO 0.02 0.42 -0.12 0.00 0.37 0.00 0.00 175.52 176.21 1ls8 h PHE 118 N -0.04 -0.52 -0.56 0.00 3.57 -0.74 -1.12 116.94 117.52 1ls8 h PHE 118 Ca 0.17 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 1ls8 h PHE 118 Cb 0.31 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1ls8 h PHE 118 CO -0.35 -0.28 -0.05 -0.22 -2.23 0.00 0.00 178.31 175.18 1ls8 h LYS 119 N -0.25 1.01 -0.14 1.11 1.63 -1.00 -2.61 116.57 116.33 1ls8 h LYS 119 Ca 0.10 -0.34 0.01 0.00 -0.85 0.00 0.00 60.65 59.57 1ls8 h LYS 119 Cb 0.40 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 1ls8 h LYS 119 CO -0.29 1.02 0.07 0.00 -3.45 0.00 0.00 179.45 176.80 1ls8 h ALA 120 N 1.02 0.16 -0.74 5.00 0.00 -0.70 -2.51 119.26 121.48 1ls8 h ALA 120 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1ls8 h ALA 120 Cb 0.60 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1ls8 h ALA 120 CO 0.04 -0.37 0.42 0.93 0.00 0.00 0.00 179.25 180.26 1ls8 h GLU 121 N 0.15 0.73 -0.55 0.00 4.39 -1.09 -0.07 114.58 118.14 1ls8 h GLU 121 Ca 0.05 -0.04 0.13 0.00 0.34 0.00 0.00 59.36 59.84 1ls8 h GLU 121 Cb 0.01 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.47 1ls8 h GLU 121 CO -0.04 0.48 0.38 0.82 -1.16 0.00 0.00 179.01 179.50 1ls8 h ILE 122 N 0.75 0.80 0.11 3.13 1.08 -1.06 0.22 117.51 122.54 1ls8 h ILE 122 Ca 0.34 -0.06 -0.15 0.00 -0.39 0.00 0.00 64.86 64.60 1ls8 h ILE 122 Cb 0.25 0.62 0.02 0.00 -3.07 0.00 0.00 36.82 34.63 1ls8 h ILE 122 CO -0.21 0.03 -0.66 -0.74 -0.69 0.00 0.00 178.15 175.89 1ls8 h HIS 123 N 0.17 0.44 0.00 1.37 2.76 -0.82 0.19 115.15 119.26 1ls8 h HIS 123 Ca 0.26 -0.32 -0.04 0.00 -2.20 0.00 0.00 60.37 58.08 1ls8 h HIS 123 Cb 0.81 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.75 1ls8 h HIS 123 CO -0.00 1.25 -0.17 0.87 -1.30 0.00 0.00 177.93 178.58 1ls8 h LYS 124 N -0.50 0.00 0.00 5.26 1.57 -0.55 0.80 116.57 123.15 1ls8 h LYS 124 Ca -0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1ls8 h LYS 124 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.83 1ls8 h LYS 124 CO 0.12 0.17 0.00 1.28 -0.57 0.00 0.00 179.45 180.46 1ls8 n LEU 125 N -4.19 0.00 -3.85 2.94 4.77 0.70 -4.91 117.00 112.46 1ls8 n LEU 125 Ca -0.02 0.21 -0.26 0.00 -0.03 0.00 0.00 56.01 55.91 1ls8 n LEU 125 Cb 0.25 -0.21 0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1ls8 n LEU 125 CO 0.35 -0.07 -0.05 -3.20 -1.33 0.00 0.00 177.39 173.08 1ls8 n ASN 126 N -1.21 -2.11 -1.57 -1.43 5.15 0.27 -4.92 115.26 109.45 1ls8 n ASN 126 Ca 0.11 -0.86 -0.14 0.00 -0.60 0.00 0.00 54.58 53.08 1ls8 n ASN 126 Cb 0.13 -3.71 0.09 0.00 -0.53 0.00 0.00 39.78 35.76 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 -4.42 1.86 -2.93 1.20 8.01 0.05 -4.87 117.44 116.34 1ls8 n TRP 127 Ca -0.18 -2.01 -0.01 0.00 -1.31 0.00 0.00 57.50 53.99 1ls8 n TRP 127 Cb 0.63 -0.38 0.00 0.00 -2.01 0.00 0.00 31.31 29.55 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 -3.48 -2.92 -0.15 6.99 0.00 -1.24 -4.83 121.76 116.13 1ls8 s ALA 128 Ca 0.48 0.25 -0.16 0.00 0.00 0.00 0.00 51.96 52.53 1ls8 s ALA 128 Cb 0.40 -2.81 -0.13 0.00 0.00 0.00 0.00 23.12 20.58 1ls8 s ALA 128 CO 0.00 -2.31 0.23 -1.00 0.00 0.00 0.00 175.76 172.67 1ls8 h PRO 129 N 5.75 0.00 0.00 0.00 0.13 -1.95 -3.46 132.00 132.48 1ls8 h PRO 129 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1ls8 h PRO 129 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ls8 h PRO 129 CO 0.02 0.53 0.00 0.45 -0.23 0.00 0.00 178.00 178.77 1ls8 n SER 130 N -4.61 0.00 0.10 1.44 2.88 -1.26 -4.99 113.62 107.18 1ls8 n SER 130 Ca -0.13 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.61 1ls8 n SER 130 Cb 0.37 0.00 0.76 0.00 -0.75 0.00 0.00 64.21 64.59 1ls8 n SER 130 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1ls8 h MET 131 N 0.00 0.00 -5.28 -1.46 -1.53 -2.04 -3.40 114.93 101.22 1ls8 h MET 131 Ca 0.00 0.00 -0.02 0.00 -3.44 0.00 0.00 59.70 56.24 1ls8 h MET 131 Cb 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.04 1ls8 h MET 131 CO 0.00 0.00 0.14 -3.47 0.14 0.00 0.00 176.91 173.72 1ls8 n ASP 132 N -3.84 1.51 -3.70 1.39 2.03 -1.26 -4.89 116.55 107.79 1ls8 n ASP 132 Ca 0.06 -1.55 -0.16 0.00 0.52 0.00 0.00 54.79 53.66 1ls8 n ASP 132 Cb 0.54 -1.59 -0.15 0.00 -0.72 0.00 0.00 41.12 39.20 1ls8 n ASP 132 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ls8 s VAL 133 N 14.14 -0.15 0.19 5.18 0.11 -1.26 -4.84 120.40 133.76 1ls8 s VAL 133 Ca 0.93 0.29 0.00 0.00 -2.93 0.00 0.00 61.98 60.28 1ls8 s VAL 133 Cb -0.17 -0.24 0.00 0.00 -1.53 0.00 0.00 36.38 34.44 1ls8 s VAL 133 CO 0.12 0.12 0.00 0.00 -3.33 0.00 0.00 175.10 172.02 1ls8 n ALA 134 N 4.84 1.80 -2.34 1.54 0.00 -1.26 -5.00 120.51 120.10 1ls8 n ALA 134 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 52.94 1ls8 n ALA 134 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.92 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 -1.49 3.82 -4.28 0.00 1.01 -1.26 -4.73 120.40 113.47 1ls8 s VAL 135 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1ls8 s VAL 135 Cb 0.00 -4.84 0.00 0.00 0.00 0.00 0.00 36.38 31.54 1ls8 s VAL 135 CO 0.00 -1.53 0.00 0.61 0.00 0.00 0.00 175.10 174.18 1ls8 n GLY 136 N 5.84 -2.68 0.00 4.51 0.00 -1.26 -3.37 105.19 108.23 1ls8 n GLY 136 Ca 0.45 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.85 0.00 -3.92 1.61 0.28 -1.26 -5.12 120.64 111.38 1ls8 n GLU 137 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1ls8 n GLU 137 Cb 0.00 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 32.71 1ls8 n GLU 137 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1ls8 s ILE 138 N -2.37 1.37 -0.26 3.84 -1.09 -1.26 -4.99 121.20 116.45 1ls8 s ILE 138 Ca 0.00 -1.05 0.13 0.00 -2.23 0.00 0.00 60.65 57.51 1ls8 s ILE 138 Cb 0.00 -1.63 0.37 0.00 -1.58 0.00 0.00 42.46 39.61 1ls8 s ILE 138 CO 0.00 -0.05 1.37 0.00 -1.23 0.00 0.00 174.94 175.03 1ls8 n LEU 139 N 4.74 -0.74 -2.72 2.97 -0.00 -1.26 -4.92 117.00 115.07 1ls8 n LEU 139 Ca -0.12 -2.95 -0.09 0.00 -0.00 0.00 0.00 56.01 52.85 1ls8 n LEU 139 Cb 0.45 0.14 0.06 0.00 -0.00 0.00 0.00 43.42 44.08 1ls8 n LEU 139 CO 0.17 1.51 0.14 0.00 -0.00 0.00 0.00 177.39 179.21 1ls8 n ALA 140 N -1.06 2.21 0.86 1.47 0.00 -1.26 -4.94 120.51 117.79 1ls8 n ALA 140 Ca -0.14 -2.34 0.13 0.00 0.00 0.00 0.00 53.44 51.08 1ls8 n ALA 140 Cb 0.85 -0.98 0.38 0.00 0.00 0.00 0.00 19.45 19.70 1ls8 n ALA 140 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1ls8 n GLU 141 N -0.21 0.09 -0.05 0.00 0.00 -1.26 -5.32 120.64 113.89 1ls8 n GLU 141 Ca 0.05 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.26 1ls8 n GLU 141 Cb 0.81 -1.58 0.00 0.00 0.00 0.00 0.00 31.44 30.67 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68