#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 4.33 7.50 -2.01 -3.07 115.11 121.86 1ls8 h GLN 2 Ca 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 1ls8 h GLN 2 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 27.53 1ls8 h GLN 2 CO 0.00 0.25 -0.20 1.49 -1.50 0.00 0.00 178.83 178.87 1ls8 h GLU 3 N 0.00 0.00 -0.69 1.46 4.57 -2.00 -3.31 114.58 114.61 1ls8 h GLU 3 Ca -0.00 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.32 1ls8 h GLU 3 Cb 0.48 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.03 1ls8 h GLU 3 CO 0.03 0.03 0.47 0.28 -1.18 0.00 0.00 179.01 178.64 1ls8 h VAL 4 N -1.00 0.80 -0.29 0.32 2.07 -1.94 0.20 116.25 116.42 1ls8 h VAL 4 Ca -0.00 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1ls8 h VAL 4 Cb 0.22 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1ls8 h VAL 4 CO -0.00 0.06 0.12 0.24 0.02 0.00 0.00 177.57 178.01 1ls8 h MET 5 N 0.34 0.42 -0.78 1.57 2.86 -1.70 0.44 114.93 118.09 1ls8 h MET 5 Ca 0.34 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1ls8 h MET 5 Cb 0.83 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.38 1ls8 h MET 5 CO -0.09 0.43 0.49 -0.22 1.06 0.00 0.00 176.91 178.58 1ls8 h LYS 6 N 0.32 1.05 0.00 1.72 3.64 -1.16 -3.27 116.57 118.87 1ls8 h LYS 6 Ca 0.10 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1ls8 h LYS 6 Cb 0.16 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1ls8 h LYS 6 CO -0.01 0.73 -0.08 -0.97 -2.27 0.00 0.00 179.45 176.85 1ls8 h ASN 7 N 1.07 0.00 0.00 4.20 -1.24 0.31 -3.26 115.58 116.66 1ls8 h ASN 7 Ca 0.28 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.29 1ls8 h ASN 7 Cb -0.06 0.00 0.00 0.00 0.73 0.00 0.00 38.32 38.99 1ls8 h ASN 7 CO -0.06 0.08 0.00 0.18 -1.29 0.00 0.00 177.43 176.35 1ls8 n LEU 8 N -3.21 0.00 -4.30 0.34 4.77 0.05 -4.90 117.00 109.75 1ls8 n LEU 8 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 1ls8 n LEU 8 Cb 0.36 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1ls8 n LEU 8 CO 0.30 0.00 -0.11 -1.20 -1.33 0.00 0.00 177.39 175.05 1ls8 n SER 9 N 0.00 -2.28 0.00 -1.43 7.64 -1.23 -4.93 113.62 111.38 1ls8 n SER 9 Ca 0.00 -1.05 0.00 0.00 1.01 0.00 0.00 58.87 58.83 1ls8 n SER 9 Cb 0.00 -1.94 0.00 0.00 -1.01 0.00 0.00 64.21 61.26 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 -4.05 0.00 0.27 -3.43 4.32 -1.26 -4.46 117.00 108.39 1ls8 n LEU 10 Ca 0.10 0.00 0.18 0.00 -0.02 0.00 0.00 56.01 56.27 1ls8 n LEU 10 Cb 0.47 0.00 0.93 0.00 -1.62 0.00 0.00 43.42 43.20 1ls8 n LEU 10 CO 0.87 0.00 1.04 0.78 -1.22 0.00 0.00 177.39 178.86 1ls8 h ASN 11 N 0.00 0.00 -0.54 -1.43 2.35 -1.96 -0.73 115.58 113.27 1ls8 h ASN 11 Ca 0.00 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 55.91 1ls8 h ASN 11 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1ls8 h ASN 11 CO 0.00 0.00 0.39 0.15 -1.65 0.00 0.00 177.43 176.32 1ls8 h PHE 12 N 0.00 0.00 0.00 1.19 3.57 -1.97 -2.00 116.94 117.73 1ls8 h PHE 12 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1ls8 h PHE 12 Cb 0.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1ls8 h PHE 12 CO 0.00 0.00 -0.95 0.41 -2.23 0.00 0.00 178.31 175.54 1ls8 n GLY 13 N -1.64 0.00 0.36 2.40 0.00 -0.37 -4.42 105.19 101.52 1ls8 n GLY 13 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 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 0.84 0.00 1.61 3.64 -1.33 0.13 116.57 121.46 1ls8 h LYS 14 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ls8 h LYS 14 Cb 0.45 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1ls8 h LYS 14 CO 0.00 0.55 0.00 0.00 -2.27 0.00 0.00 179.45 177.73 1ls8 n ALA 15 N -2.42 2.17 -0.20 5.00 0.00 -0.75 -3.14 120.51 121.18 1ls8 n ALA 15 Ca 0.14 -0.04 -0.08 0.00 0.00 0.00 0.00 53.44 53.47 1ls8 n ALA 15 Cb 0.29 -1.44 0.02 0.00 0.00 0.00 0.00 19.45 18.32 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 0.79 -1.83 0.00 5.85 -0.95 -2.00 115.31 117.18 1ls8 h LEU 16 Ca 0.00 -0.19 0.21 0.00 0.84 0.00 0.00 57.88 58.74 1ls8 h LEU 16 Cb 0.58 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1ls8 h LEU 16 CO 0.00 0.77 0.56 0.44 -0.34 0.00 0.00 178.44 179.88 1ls8 h ASP 17 N 0.77 0.15 0.10 1.25 3.32 -1.52 0.43 116.42 120.91 1ls8 h ASP 17 Ca 0.18 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.24 1ls8 h ASP 17 Cb 0.25 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1ls8 h ASP 17 CO -0.01 0.06 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.19 1ls8 h GLU 18 N 0.15 -0.13 0.00 3.56 5.08 -1.61 -2.35 114.58 119.28 1ls8 h GLU 18 Ca 0.40 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.75 1ls8 h GLU 18 Cb 1.34 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 1ls8 h GLU 18 CO -0.06 0.25 -0.09 0.00 -1.00 0.00 0.00 179.01 178.11 1ls8 h LYS 20 N 0.00 0.91 0.00 0.00 1.57 -0.27 0.17 116.57 118.95 1ls8 h LYS 20 Ca -0.00 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 1ls8 h LYS 20 Cb 0.18 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ls8 h LYS 20 CO 0.01 0.89 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.44 1ls8 h LYS 21 N 0.79 0.00 0.07 3.15 3.11 -0.35 0.25 116.57 123.59 1ls8 h LYS 21 Ca 0.16 0.00 -0.33 0.00 -2.81 0.00 0.00 60.65 57.67 1ls8 h LYS 21 Cb 0.44 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.64 1ls8 h LYS 21 CO 0.01 0.12 -1.86 0.93 -2.81 0.00 0.00 179.45 175.85 1ls8 h GLU 22 N 0.00 0.16 -0.43 1.90 5.08 -0.37 -3.37 114.58 117.55 1ls8 h GLU 22 Ca -0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1ls8 h GLU 22 Cb 0.78 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1ls8 h GLU 22 CO 0.02 0.91 0.00 -1.33 -1.00 0.00 0.00 179.01 177.61 1ls8 n MET 23 N -3.30 2.85 -3.75 2.33 2.81 0.56 -4.99 117.12 113.62 1ls8 n MET 23 Ca -0.25 -2.18 -0.26 0.00 -1.81 0.00 0.00 57.70 53.20 1ls8 n MET 23 Cb 1.05 -1.33 0.05 0.00 -0.71 0.00 0.00 33.22 32.28 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 0.75 -2.83 -2.00 2.03 -1.04 -0.04 -4.96 114.28 106.19 1ls8 n THR 24 Ca 0.14 -0.08 -0.28 0.00 -2.04 0.00 0.00 64.05 61.79 1ls8 n THR 24 Cb 0.47 -3.47 0.07 0.00 -1.82 0.00 0.00 70.33 65.58 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 -7.19 2.71 0.00 -4.42 1.43 -0.53 -5.02 118.68 105.65 1ls8 s LEU 25 Ca 0.54 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 1ls8 s LEU 25 Cb -0.26 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.57 1ls8 s LEU 25 CO 0.79 -1.66 0.00 0.35 0.23 0.00 0.00 176.35 176.06 1ls8 n THR 26 N -3.11 0.00 0.56 5.49 -2.24 -1.26 -4.82 114.28 108.90 1ls8 n THR 26 Ca 0.07 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.95 1ls8 n THR 26 Cb 0.60 -0.89 -0.13 0.00 -2.10 0.00 0.00 70.33 67.80 1ls8 n THR 26 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ls8 n ASP 27 N -0.31 0.68 -0.23 3.42 9.92 -1.26 -4.53 116.55 124.24 1ls8 n ASP 27 Ca 0.00 -0.58 0.04 0.00 -0.53 0.00 0.00 54.79 53.72 1ls8 n ASP 27 Cb 0.00 1.38 0.15 0.00 -0.64 0.00 0.00 41.12 42.01 1ls8 n ASP 27 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ls8 h ALA 28 N 2.44 0.86 -0.84 2.24 0.00 -2.00 0.16 119.26 122.11 1ls8 h ALA 28 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.11 1ls8 h ALA 28 Cb 0.66 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1ls8 h ALA 28 CO 0.00 -0.31 0.55 -0.84 0.00 0.00 0.00 179.25 178.65 1ls8 h ILE 29 N 0.28 1.09 0.00 0.00 3.07 -1.96 0.52 117.51 120.51 1ls8 h ILE 29 Ca 0.38 -0.34 -0.02 0.00 1.55 0.00 0.00 64.86 66.42 1ls8 h ILE 29 Cb 0.60 0.02 -0.00 0.00 -0.27 0.00 0.00 36.82 37.17 1ls8 h ILE 29 CO -0.46 0.18 -0.12 -1.13 -1.05 0.00 0.00 178.15 175.57 1ls8 h ASN 30 N 0.99 0.00 0.12 2.16 -1.24 -0.95 -1.21 115.58 115.45 1ls8 h ASN 30 Ca 0.35 0.00 -0.34 0.00 0.71 0.00 0.00 56.30 57.02 1ls8 h ASN 30 Cb 0.13 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 1ls8 h ASN 30 CO -0.12 0.12 -1.81 -0.33 -1.29 0.00 0.00 177.43 174.00 1ls8 h GLU 31 N 0.00 0.26 -0.97 6.67 5.08 -1.32 -3.31 114.58 120.98 1ls8 h GLU 31 Ca -0.00 -0.44 0.20 0.00 -1.00 0.00 0.00 59.36 58.12 1ls8 h GLU 31 Cb 0.43 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 1ls8 h GLU 31 CO 0.02 1.21 0.61 0.22 -1.00 0.00 0.00 179.01 180.07 1ls8 h ASP 32 N -0.08 0.63 -0.63 1.42 3.58 0.29 -0.36 116.42 121.26 1ls8 h ASP 32 Ca -0.39 0.07 0.18 0.00 0.42 0.00 0.00 57.03 57.31 1ls8 h ASP 32 Cb 1.93 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.92 1ls8 h ASP 32 CO 0.07 0.23 0.63 -0.26 -2.88 0.00 0.00 179.24 177.03 1ls8 h PHE 33 N 0.62 0.00 0.00 0.28 -1.00 -1.65 -2.44 116.94 112.74 1ls8 h PHE 33 Ca 0.53 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.31 1ls8 h PHE 33 Cb 1.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.58 1ls8 h PHE 33 CO -0.00 0.00 -0.26 0.98 -1.61 0.00 0.00 178.31 177.41 1ls8 n TYR 34 N -3.72 0.00 0.38 -0.55 9.36 -0.24 -4.84 117.16 117.55 1ls8 n TYR 34 Ca 0.13 -0.07 0.14 0.00 3.32 0.00 0.00 57.90 61.42 1ls8 n TYR 34 Cb 0.86 -0.04 0.49 0.00 -0.63 0.00 0.00 39.34 40.03 1ls8 n TYR 34 CO 0.00 0.00 0.00 -2.95 0.22 0.00 0.00 176.86 174.13 1ls8 h ASN 35 N 0.00 0.00 0.00 2.98 7.08 -0.80 -3.43 115.58 121.41 1ls8 h ASN 35 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 1ls8 h ASN 35 Cb 1.19 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.43 1ls8 h ASN 35 CO 0.00 0.00 0.00 0.49 -2.08 0.00 0.00 177.43 175.84 1ls8 n PHE 36 N -2.61 0.00 0.00 4.14 3.01 -1.26 -4.75 117.46 115.99 1ls8 n PHE 36 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1ls8 n PHE 36 Cb 0.33 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 1ls8 n PHE 36 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1ls8 n TRP 37 N -0.83 0.00 -1.90 1.38 7.02 -1.26 -4.88 117.44 116.97 1ls8 n TRP 37 Ca 0.00 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.16 1ls8 n TRP 37 Cb 0.00 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 28.91 1ls8 n TRP 37 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1ls8 s LYS 38 N 0.00 3.17 -0.20 -0.99 3.01 -1.26 -5.01 119.74 118.46 1ls8 s LYS 38 Ca 0.00 1.16 0.11 0.00 -1.01 0.00 0.00 55.97 56.23 1ls8 s LYS 38 Cb 0.00 -2.01 -0.20 0.00 -1.01 0.00 0.00 37.83 34.61 1ls8 s LYS 38 CO 0.00 -0.93 -0.04 -0.85 0.51 0.00 0.00 175.35 174.04 1ls8 n GLU 39 N -2.34 0.84 0.02 1.68 0.28 -1.26 -4.58 120.64 115.28 1ls8 n GLU 39 Ca 0.09 0.05 -0.06 0.00 -0.16 0.00 0.00 57.16 57.08 1ls8 n GLU 39 Cb 0.53 -1.47 -0.11 0.00 1.43 0.00 0.00 31.44 31.82 1ls8 n GLU 39 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1ls8 h GLY 40 N 2.91 0.00 -7.20 -1.84 0.00 -2.00 -3.42 103.07 91.52 1ls8 h GLY 40 Ca -0.51 0.00 -0.66 0.00 0.00 0.00 0.00 47.33 46.16 1ls8 h GLY 40 CO -0.02 0.00 0.33 -0.47 0.00 0.00 0.00 176.54 176.38 1ls8 s TYR 41 N -2.72 2.84 0.20 5.60 6.14 -1.26 -5.02 117.35 123.14 1ls8 s TYR 41 Ca -0.02 -0.67 -0.30 0.00 0.64 0.00 0.00 57.07 56.72 1ls8 s TYR 41 Cb 0.09 -4.09 -0.08 0.00 0.42 0.00 0.00 41.96 38.29 1ls8 s TYR 41 CO 0.82 -1.43 0.97 -2.00 0.64 0.00 0.00 175.55 174.54 1ls8 s GLU 42 N 3.38 4.78 0.89 4.97 2.12 -1.26 -4.64 118.70 128.94 1ls8 s GLU 42 Ca 0.18 1.52 -0.10 0.00 0.36 0.00 0.00 54.97 56.93 1ls8 s GLU 42 Cb -0.20 -3.30 0.13 0.00 0.26 0.00 0.00 34.13 31.02 1ls8 s GLU 42 CO 0.09 0.37 1.14 0.42 -0.54 0.00 0.00 175.26 176.75 1ls8 s ILE 43 N -0.76 2.28 -0.08 -3.70 1.01 -1.26 -5.01 121.20 113.68 1ls8 s ILE 43 Ca 0.44 0.09 0.03 0.00 0.00 0.00 0.00 60.65 61.21 1ls8 s ILE 43 Cb -0.26 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1ls8 s ILE 43 CO 0.32 -0.12 0.10 1.17 0.00 0.00 0.00 174.94 176.41 1ls8 n LYS 44 N -4.09 3.84 -1.58 2.79 4.81 -1.26 -5.01 118.16 117.65 1ls8 n LYS 44 Ca 0.11 -0.01 -0.21 0.00 -0.87 0.00 0.00 58.31 57.33 1ls8 n LYS 44 Cb 0.52 -0.79 -0.06 0.00 0.02 0.00 0.00 35.03 34.72 1ls8 n LYS 44 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 1ls8 s ASN 45 N -1.66 4.10 0.51 3.14 -0.87 -1.26 -4.83 114.94 114.07 1ls8 s ASN 45 Ca 0.00 0.36 0.30 0.00 -1.57 0.00 0.00 52.86 51.95 1ls8 s ASN 45 Cb 0.02 -2.53 1.20 0.00 -0.02 0.00 0.00 41.25 39.92 1ls8 s ASN 45 CO 0.12 -3.52 1.93 0.03 -2.57 0.00 0.00 177.10 173.08 1ls8 h ARG 46 N 14.91 0.00 0.00 -0.60 2.47 -1.96 -3.01 114.38 126.19 1ls8 h ARG 46 Ca -0.08 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1ls8 h ARG 46 Cb 1.09 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.41 1ls8 h ARG 46 CO 1.06 0.09 -0.03 0.93 0.56 0.00 0.00 179.97 182.58 1ls8 h GLU 47 N 0.00 0.00 0.48 0.04 5.08 -1.98 0.39 114.58 118.60 1ls8 h GLU 47 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ls8 h GLU 47 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1ls8 h GLU 47 CO 0.01 0.03 -0.23 1.15 -1.00 0.00 0.00 179.01 178.97 1ls8 h THR 48 N 0.00 0.00 0.00 1.13 2.02 -1.91 -2.72 112.91 111.43 1ls8 h THR 48 Ca -0.00 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1ls8 h THR 48 Cb 0.07 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1ls8 h THR 48 CO 0.00 0.00 -0.06 1.23 0.37 0.00 0.00 175.52 177.06 1ls8 h GLY 49 N -0.75 0.00 0.76 2.16 0.00 -1.51 0.85 103.07 104.57 1ls8 h GLY 49 Ca -0.07 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.29 1ls8 h GLY 49 CO 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 176.54 176.63 1ls8 h ALA 51 N 1.13 0.57 -0.31 0.00 0.00 -0.82 -1.12 119.26 118.71 1ls8 h ALA 51 Ca 0.07 -0.70 0.04 0.00 0.00 0.00 0.00 54.91 54.31 1ls8 h ALA 51 Cb 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1ls8 h ALA 51 CO -0.13 0.89 0.10 0.82 0.00 0.00 0.00 179.25 180.93 1ls8 h ILE 52 N 0.11 0.90 -0.43 0.00 2.04 -0.69 0.32 117.51 119.76 1ls8 h ILE 52 Ca -0.04 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1ls8 h ILE 52 Cb 1.44 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.15 1ls8 h ILE 52 CO 0.13 0.04 0.26 -0.03 0.00 0.00 0.00 178.15 178.54 1ls8 h MET 53 N 0.23 0.59 -0.29 2.37 4.05 -1.04 -1.38 114.93 119.45 1ls8 h MET 53 Ca 0.14 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.53 1ls8 h MET 53 Cb 0.12 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.77 1ls8 h MET 53 CO -0.15 0.44 0.10 0.00 0.23 0.00 0.00 176.91 177.54 1ls8 h LEU 55 N 0.24 -1.03 -1.60 0.00 3.38 -0.21 -0.40 115.31 115.68 1ls8 h LEU 55 Ca 0.13 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1ls8 h LEU 55 Cb 0.10 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1ls8 h LEU 55 CO -0.13 -0.57 -0.01 0.77 0.09 0.00 0.00 178.44 178.59 1ls8 h SER 56 N -0.87 0.22 0.18 -0.43 4.64 -1.03 0.23 113.55 116.48 1ls8 h SER 56 Ca -0.05 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1ls8 h SER 56 Cb 0.74 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1ls8 h SER 56 CO -0.01 0.27 -0.15 0.74 -0.87 0.00 0.00 176.83 176.81 1ls8 h THR 57 N 0.24 0.00 -0.66 2.95 2.02 -0.91 0.88 112.91 117.43 1ls8 h THR 57 Ca 0.06 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.19 1ls8 h THR 57 Cb 0.18 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 1ls8 h THR 57 CO 0.00 0.00 0.21 0.11 0.37 0.00 0.00 175.52 176.22 1ls8 h LYS 58 N -0.32 1.00 0.00 6.66 1.79 0.22 -0.88 116.57 125.04 1ls8 h LYS 58 Ca -0.02 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1ls8 h LYS 58 Cb 0.28 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1ls8 h LYS 58 CO -0.01 0.85 0.00 1.28 -1.08 0.00 0.00 179.45 180.50 1ls8 n LEU 59 N -4.27 0.00 -3.44 2.94 4.77 0.68 -4.88 117.00 112.80 1ls8 n LEU 59 Ca 0.05 0.19 -0.24 0.00 -0.03 0.00 0.00 56.01 55.98 1ls8 n LEU 59 Cb 0.21 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1ls8 n LEU 59 CO 0.40 -0.04 -0.05 0.59 -1.33 0.00 0.00 177.39 176.97 1ls8 n ASN 60 N -1.19 -3.26 0.11 -1.43 3.02 -0.34 -4.86 115.26 107.31 1ls8 n ASN 60 Ca 0.14 -0.42 -0.01 0.00 -0.03 0.00 0.00 54.58 54.25 1ls8 n ASN 60 Cb 0.15 -2.73 -0.03 0.00 -0.61 0.00 0.00 39.78 36.56 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 -0.89 0.00 -5.25 3.52 1.85 -1.09 -3.42 114.93 109.64 1ls8 h MET 61 Ca -0.42 0.00 -0.61 0.00 -0.61 0.00 0.00 59.70 58.06 1ls8 h MET 61 Cb 1.28 0.00 -0.15 0.00 0.43 0.00 0.00 31.60 33.16 1ls8 h MET 61 CO 0.53 0.68 -0.54 -0.51 -0.40 0.00 0.00 176.91 176.67 1ls8 s LEU 62 N -6.53 3.93 1.18 3.39 1.43 -0.76 -1.77 118.68 119.56 1ls8 s LEU 62 Ca 0.03 0.11 -0.13 0.00 -1.03 0.00 0.00 54.13 53.11 1ls8 s LEU 62 Cb 0.08 -2.01 0.29 0.00 0.03 0.00 0.00 46.19 44.59 1ls8 s LEU 62 CO 0.78 0.16 1.02 1.51 0.23 0.00 0.00 176.35 180.05 1ls8 s ASP 63 N 0.45 0.81 -0.25 2.29 1.47 -1.26 -4.68 116.67 115.50 1ls8 s ASP 63 Ca 0.05 1.49 -0.02 0.00 1.18 0.00 0.00 52.55 55.26 1ls8 s ASP 63 Cb -0.12 -2.30 0.11 0.00 -0.34 0.00 0.00 42.92 40.27 1ls8 s ASP 63 CO -0.00 -4.31 2.27 -0.81 0.68 0.00 0.00 175.17 173.00 1ls8 n PRO 64 N -4.99 1.75 0.00 2.11 -0.04 -1.26 -2.98 135.00 129.59 1ls8 n PRO 64 Ca 0.03 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1ls8 n PRO 64 Cb 0.54 -1.60 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 1ls8 n PRO 64 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1ls8 n GLU 65 N 0.85 0.00 -1.51 0.54 1.02 -1.26 -5.09 120.64 115.18 1ls8 n GLU 65 Ca 0.28 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.42 1ls8 n GLU 65 Cb 0.59 -0.05 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 1ls8 n GLU 65 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ls8 n GLY 66 N -0.73 0.42 0.00 0.62 0.00 -1.16 -5.01 105.19 99.33 1ls8 n GLY 66 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.79 1ls8 n GLY 66 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ls8 n ASN 67 N -1.30 1.01 0.00 1.61 0.23 -1.26 -5.04 115.26 110.51 1ls8 n ASN 67 Ca -0.00 -0.46 0.00 0.00 -0.53 0.00 0.00 54.58 53.59 1ls8 n ASN 67 Cb 0.50 1.03 0.00 0.00 -2.08 0.00 0.00 39.78 39.24 1ls8 n ASN 67 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1ls8 n LEU 68 N -1.20 -0.31 -4.49 -4.53 7.94 -1.26 -4.86 117.00 108.30 1ls8 n LEU 68 Ca 0.00 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.47 1ls8 n LEU 68 Cb 0.06 0.22 -0.02 0.00 0.53 0.00 0.00 43.42 44.21 1ls8 n LEU 68 CO 0.07 0.00 1.26 -2.28 -1.11 0.00 0.00 177.39 175.33 1ls8 s HIS 69 N -0.81 3.02 0.16 1.96 2.46 -0.73 -4.90 115.29 116.45 1ls8 s HIS 69 Ca 0.00 -1.41 -0.29 0.00 0.47 0.00 0.00 55.06 53.83 1ls8 s HIS 69 Cb 0.00 -4.43 -0.02 0.00 -0.13 0.00 0.00 32.58 28.00 1ls8 s HIS 69 CO 0.00 -1.61 1.55 0.45 -2.47 0.00 0.00 174.74 172.66 1ls8 h HIS 70 N 8.67 -1.61 -0.01 3.88 3.86 -1.92 -0.24 115.15 127.77 1ls8 h HIS 70 Ca 0.22 0.10 -0.15 0.00 -1.16 0.00 0.00 60.37 59.38 1ls8 h HIS 70 Cb 0.98 0.80 -0.02 0.00 1.06 0.00 0.00 27.41 30.23 1ls8 h HIS 70 CO 1.20 -0.42 -0.69 0.78 0.86 0.00 0.00 177.93 179.66 1ls8 h GLY 71 N -0.18 0.05 1.16 2.45 0.00 -1.98 -0.83 103.07 103.75 1ls8 h GLY 71 Ca 0.16 -0.08 -0.21 0.00 0.00 0.00 0.00 47.33 47.20 1ls8 h GLY 71 CO -0.78 0.07 -0.69 -0.57 0.00 0.00 0.00 176.54 174.57 1ls8 h ASN 72 N 0.03 0.97 -0.22 0.19 -0.73 -1.68 0.25 115.58 114.39 1ls8 h ASN 72 Ca -0.01 -0.59 -0.00 0.00 1.87 0.00 0.00 56.30 57.57 1ls8 h ASN 72 Cb 1.23 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 39.52 1ls8 h ASN 72 CO 0.09 1.39 0.14 0.00 -0.37 0.00 0.00 177.43 178.68 1ls8 h ALA 73 N 0.60 0.28 -0.28 1.57 0.00 -1.06 -2.14 119.26 118.22 1ls8 h ALA 73 Ca -0.03 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ls8 h ALA 73 Cb 1.32 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1ls8 h ALA 73 CO 0.15 -0.22 0.06 1.98 0.00 0.00 0.00 179.25 181.21 1ls8 h MET 74 N 0.28 0.16 0.00 0.00 1.85 -0.96 -1.61 114.93 114.65 1ls8 h MET 74 Ca 0.08 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.13 1ls8 h MET 74 Cb 0.00 -0.04 -0.00 0.00 0.43 0.00 0.00 31.60 31.99 1ls8 h MET 74 CO -0.02 0.11 -0.16 0.93 -0.40 0.00 0.00 176.91 177.37 1ls8 h GLU 75 N 0.16 0.00 -0.34 0.39 5.08 -0.87 0.10 114.58 119.11 1ls8 h GLU 75 Ca 0.13 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 1ls8 h GLU 75 Cb 0.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1ls8 h GLU 75 CO -0.17 0.16 -0.21 0.35 -1.00 0.00 0.00 179.01 178.14 1ls8 h PHE 76 N 0.00 0.87 -0.15 4.33 3.57 -0.69 -3.23 116.94 121.64 1ls8 h PHE 76 Ca -0.00 -0.23 -0.21 0.00 3.53 0.00 0.00 57.97 61.05 1ls8 h PHE 76 Cb 0.38 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 38.93 1ls8 h PHE 76 CO 0.00 0.97 -0.76 0.00 -2.23 0.00 0.00 178.31 176.29 1ls8 h ALA 77 N 0.77 0.38 0.00 2.41 0.00 -0.35 -3.17 119.26 119.30 1ls8 h ALA 77 Ca 0.07 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1ls8 h ALA 77 Cb 0.76 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ls8 h ALA 77 CO 0.06 0.70 -0.00 1.57 0.00 0.00 0.00 179.25 181.58 1ls8 h LYS 78 N 0.50 0.00 -0.82 0.00 5.09 -0.91 -2.39 116.57 118.04 1ls8 h LYS 78 Ca -0.05 0.00 0.07 0.00 0.09 0.00 0.00 60.65 60.77 1ls8 h LYS 78 Cb 1.38 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 33.64 1ls8 h LYS 78 CO 0.15 0.00 0.49 -0.22 -2.09 0.00 0.00 179.45 177.78 1ls8 h LYS 79 N 0.00 0.84 -0.08 0.07 3.64 -1.57 -1.85 116.57 117.62 1ls8 h LYS 79 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1ls8 h LYS 79 Cb 0.07 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1ls8 h LYS 79 CO 0.00 0.55 0.00 0.72 -2.27 0.00 0.00 179.45 178.46 1ls8 n HIS 80 N -4.69 0.09 -1.19 1.91 8.25 -1.18 -5.03 115.22 113.38 1ls8 n HIS 80 Ca 0.12 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1ls8 n HIS 80 Cb 0.21 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.32 1ls8 n HIS 80 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ls8 n GLY 81 N 0.76 0.84 3.44 -1.41 0.00 -0.70 -4.97 105.19 103.15 1ls8 n GLY 81 Ca 0.09 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.72 -0.27 0.58 4.61 0.00 -0.93 -4.96 121.76 118.07 1ls8 s ALA 82 Ca 0.00 -0.67 -0.15 0.00 0.00 0.00 0.00 51.96 51.14 1ls8 s ALA 82 Cb 0.00 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 1ls8 s ALA 82 CO 0.00 -4.08 1.02 -0.51 0.00 0.00 0.00 175.76 172.19 1ls8 s ASP 83 N -3.21 6.15 0.10 0.00 1.11 -1.26 -4.90 116.67 114.66 1ls8 s ASP 83 Ca 0.69 1.64 -0.17 0.00 0.18 0.00 0.00 52.55 54.89 1ls8 s ASP 83 Cb -0.15 -2.51 -0.05 0.00 1.07 0.00 0.00 42.92 41.27 1ls8 s ASP 83 CO 0.59 -0.92 1.56 1.05 1.18 0.00 0.00 175.17 178.63 1ls8 h GLU 84 N 0.41 0.54 -0.38 8.23 -0.00 -1.99 -1.21 114.58 120.18 1ls8 h GLU 84 Ca -0.46 -0.16 -0.16 0.00 -0.00 0.00 0.00 59.36 58.58 1ls8 h GLU 84 Cb 1.20 -0.05 -0.01 0.00 -0.00 0.00 0.00 28.75 29.89 1ls8 h GLU 84 CO 0.60 0.66 -0.39 1.15 -0.00 0.00 0.00 179.01 181.02 1ls8 h THR 85 N 0.34 1.27 -0.24 -1.06 2.02 -1.98 -0.24 112.91 113.03 1ls8 h THR 85 Ca 0.09 -1.56 -0.08 0.00 0.77 0.00 0.00 66.41 65.63 1ls8 h THR 85 Cb 0.40 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1ls8 h THR 85 CO 0.01 0.52 -0.16 -0.03 0.37 0.00 0.00 175.52 176.23 1ls8 h MET 86 N 0.75 0.54 -0.49 6.66 4.05 -1.94 0.20 114.93 124.70 1ls8 h MET 86 Ca 0.06 -0.25 -0.02 0.00 -0.28 0.00 0.00 59.70 59.21 1ls8 h MET 86 Cb 0.99 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.76 1ls8 h MET 86 CO 0.10 0.82 0.24 0.00 0.23 0.00 0.00 176.91 178.30 1ls8 h ALA 87 N 0.70 0.64 -0.26 0.39 0.00 -1.11 -1.43 119.26 118.20 1ls8 h ALA 87 Ca 0.05 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1ls8 h ALA 87 Cb 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ls8 h ALA 87 CO 0.04 0.20 -0.00 0.37 0.00 0.00 0.00 179.25 179.86 1ls8 h GLN 88 N 0.65 0.46 -0.33 0.00 5.75 -0.99 -2.93 115.11 117.72 1ls8 h GLN 88 Ca 0.17 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1ls8 h GLN 88 Cb 0.12 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1ls8 h GLN 88 CO -0.02 0.63 0.16 1.96 -2.65 0.00 0.00 178.83 178.91 1ls8 h GLN 89 N 0.23 0.48 0.00 1.69 1.08 -0.41 0.57 115.11 118.75 1ls8 h GLN 89 Ca 0.07 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1ls8 h GLN 89 Cb 0.42 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1ls8 h GLN 89 CO 0.01 0.44 0.00 -0.07 -0.95 0.00 0.00 178.83 178.26 1ls8 h LEU 90 N 0.40 0.00 0.15 1.46 4.07 -1.29 0.29 115.31 120.39 1ls8 h LEU 90 Ca 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.07 1ls8 h LEU 90 Cb 0.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1ls8 h LEU 90 CO -0.01 0.00 -0.07 0.40 -1.08 0.00 0.00 178.44 177.67 1ls8 h ILE 91 N 0.00 0.00 -0.18 1.22 2.04 -1.21 -3.37 117.51 116.01 1ls8 h ILE 91 Ca 0.00 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.27 1ls8 h ILE 91 Cb 0.32 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1ls8 h ILE 91 CO 0.00 0.00 0.15 0.44 0.00 0.00 0.00 178.15 178.74 1ls8 h ASP 92 N -0.84 0.00 0.09 1.72 5.19 0.35 -0.51 116.42 122.42 1ls8 h ASP 92 Ca -0.02 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.31 1ls8 h ASP 92 Cb 0.16 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.65 1ls8 h ASP 92 CO 0.03 0.00 -0.26 0.40 -3.12 0.00 0.00 179.24 176.29 1ls8 h ILE 93 N 0.00 1.25 -0.42 0.35 2.04 -0.68 -1.85 117.51 118.20 1ls8 h ILE 93 Ca 0.09 -1.17 0.09 0.00 1.00 0.00 0.00 64.86 64.86 1ls8 h ILE 93 Cb 0.38 1.42 -0.09 0.00 -0.74 0.00 0.00 36.82 37.79 1ls8 h ILE 93 CO -0.00 0.36 -0.26 1.62 0.00 0.00 0.00 178.15 179.87 1ls8 h VAL 94 N 0.26 0.32 -0.29 1.67 3.04 -1.24 0.68 116.25 120.69 1ls8 h VAL 94 Ca 0.04 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.64 1ls8 h VAL 94 Cb 0.60 0.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.19 1ls8 h VAL 94 CO 0.04 0.00 -0.17 -0.74 -1.01 0.00 0.00 177.57 175.69 1ls8 h HIS 95 N -0.18 0.73 -0.33 3.17 6.17 -1.61 0.83 115.15 123.92 1ls8 h HIS 95 Ca 0.20 -0.19 -0.05 0.00 0.71 0.00 0.00 60.37 61.03 1ls8 h HIS 95 Cb 0.49 -0.16 -0.02 0.00 2.52 0.00 0.00 27.41 30.24 1ls8 h HIS 95 CO -0.49 0.88 -0.02 0.78 0.71 0.00 0.00 177.93 179.79 1ls8 h GLY 96 N 0.37 0.56 0.27 5.26 0.00 -0.79 0.41 103.07 109.15 1ls8 h GLY 96 Ca 0.06 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1ls8 h GLY 96 CO 0.05 0.32 -0.05 0.00 0.00 0.00 0.00 176.54 176.86 1ls8 h GLU 98 N -0.72 0.00 -0.03 0.00 5.08 -0.58 0.37 114.58 118.69 1ls8 h GLU 98 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ls8 h GLU 98 Cb 0.83 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 1ls8 h GLU 98 CO 0.01 0.00 -0.06 0.87 -1.00 0.00 0.00 179.01 178.83 1ls8 h LYS 99 N 0.00 0.04 0.00 2.33 1.57 -1.00 -3.27 116.57 116.24 1ls8 h LYS 99 Ca 0.04 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1ls8 h LYS 99 Cb 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1ls8 h LYS 99 CO -0.00 0.10 -1.29 0.45 -0.57 0.00 0.00 179.45 178.14 1ls8 n SER 100 N -4.44 3.75 -4.59 0.86 2.88 -0.29 -4.87 113.62 106.92 1ls8 n SER 100 Ca -0.02 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.09 1ls8 n SER 100 Cb 0.15 0.96 -0.03 0.00 -0.75 0.00 0.00 64.21 64.55 1ls8 n SER 100 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1ls8 s THR 101 N -2.26 4.30 0.69 2.46 2.01 0.11 -5.06 115.64 117.89 1ls8 s THR 101 Ca -0.02 1.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.99 1ls8 s THR 101 Cb 0.03 -4.54 0.17 0.00 0.01 0.00 0.00 72.50 68.16 1ls8 s THR 101 CO 0.22 -0.92 0.77 -0.81 -0.69 0.00 0.00 174.62 173.19 1ls8 n PRO 102 N 7.58 -1.53 -1.68 4.92 -0.04 -1.26 -4.62 135.00 138.37 1ls8 n PRO 102 Ca 0.10 -1.21 -0.32 0.00 -0.04 0.00 0.00 63.50 62.03 1ls8 n PRO 102 Cb 0.49 -0.94 0.05 0.00 -0.04 0.00 0.00 33.50 33.06 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 -3.53 2.47 0.03 0.55 0.00 -1.26 -4.93 121.76 115.09 1ls8 s ALA 103 Ca 0.46 0.45 -0.08 0.00 0.00 0.00 0.00 51.96 52.80 1ls8 s ALA 103 Cb -0.03 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.80 1ls8 s ALA 103 CO 0.34 -1.32 0.15 1.21 0.00 0.00 0.00 175.76 176.14 1ls8 s ASN 104 N -2.82 0.08 0.46 0.00 3.84 -1.26 -5.03 114.94 110.20 1ls8 s ASN 104 Ca 0.65 -0.37 0.19 0.00 0.21 0.00 0.00 52.86 53.53 1ls8 s ASN 104 Cb -0.19 0.24 1.10 0.00 -0.55 0.00 0.00 41.25 41.85 1ls8 s ASN 104 CO 0.44 -0.49 1.98 0.44 -2.79 0.00 0.00 177.10 176.69 1ls8 h ASP 105 N 3.76 0.00 -3.41 -4.21 5.19 -2.01 -3.37 116.42 112.37 1ls8 h ASP 105 Ca -0.32 0.00 -0.72 0.00 -0.62 0.00 0.00 57.03 55.37 1ls8 h ASP 105 Cb 1.19 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 40.45 1ls8 h ASP 105 CO 0.47 0.20 -0.41 -0.62 -3.12 0.00 0.00 179.24 175.75 1ls8 s ASP 106 N -6.69 5.90 0.52 6.45 2.15 -1.26 -4.95 116.67 118.79 1ls8 s ASP 106 Ca -0.03 -1.32 0.28 0.00 0.43 0.00 0.00 52.55 51.91 1ls8 s ASP 106 Cb 0.15 -2.09 1.52 0.00 -0.30 0.00 0.00 42.92 42.20 1ls8 s ASP 106 CO 0.66 -0.56 1.84 0.11 -0.17 0.00 0.00 175.17 177.05 1ls8 h LYS 107 N 8.57 0.00 0.22 4.34 1.79 -1.99 -0.17 116.57 129.33 1ls8 h LYS 107 Ca -0.26 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.20 1ls8 h LYS 107 Cb 1.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1ls8 h LYS 107 CO 0.79 0.00 -0.11 0.00 -1.08 0.00 0.00 179.45 179.06 1ls8 h ILE 109 N -0.76 0.97 -0.03 0.00 5.03 -1.52 0.32 117.51 121.52 1ls8 h ILE 109 Ca -0.03 -0.27 -0.00 0.00 -0.12 0.00 0.00 64.86 64.43 1ls8 h ILE 109 Cb 0.50 0.10 -0.00 0.00 -3.03 0.00 0.00 36.82 34.39 1ls8 h ILE 109 CO 0.05 0.15 0.01 -0.25 -0.68 0.00 0.00 178.15 177.43 1ls8 h TRP 110 N 0.80 0.03 -0.24 1.37 7.01 -1.03 -0.84 115.95 123.05 1ls8 h TRP 110 Ca 0.35 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.39 1ls8 h TRP 110 Cb 0.24 -0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.26 1ls8 h TRP 110 CO -0.06 0.08 0.02 1.15 -2.79 0.00 0.00 178.44 176.84 1ls8 h THR 111 N -0.03 0.85 0.00 2.65 2.02 -0.70 -2.52 112.91 115.19 1ls8 h THR 111 Ca 0.01 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1ls8 h THR 111 Cb 0.06 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 1ls8 h THR 111 CO -0.00 0.02 -0.14 -0.07 0.37 0.00 0.00 175.52 175.70 1ls8 h LEU 112 N 0.10 0.00 0.39 2.58 3.38 -0.60 0.38 115.31 121.55 1ls8 h LEU 112 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1ls8 h LEU 112 Cb 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1ls8 h LEU 112 CO -0.18 0.14 -0.37 1.23 0.09 0.00 0.00 178.44 179.35 1ls8 h GLY 113 N 0.44 -0.89 1.01 0.83 0.00 -0.71 -0.45 103.07 103.30 1ls8 h GLY 113 Ca -0.00 0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 1ls8 h GLY 113 CO 0.02 -0.31 0.48 -2.08 0.00 0.00 0.00 176.54 174.65 1ls8 h VAL 114 N -0.78 1.23 -0.56 4.60 2.07 -1.25 -1.84 116.25 119.71 1ls8 h VAL 114 Ca -0.03 -0.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1ls8 h VAL 114 Cb 0.70 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1ls8 h VAL 114 CO -0.05 0.24 0.07 0.00 0.02 0.00 0.00 177.57 177.86 1ls8 h ALA 115 N 1.26 1.07 0.18 1.67 0.00 -0.07 0.21 119.26 123.58 1ls8 h ALA 115 Ca 0.29 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 1ls8 h ALA 115 Cb -0.03 -0.22 0.03 0.00 0.00 0.00 0.00 17.79 17.57 1ls8 h ALA 115 CO -0.05 0.60 -1.08 1.15 0.00 0.00 0.00 179.25 179.86 1ls8 h THR 116 N 0.86 1.41 -0.90 0.00 2.02 -0.95 -3.07 112.91 112.28 1ls8 h THR 116 Ca 0.17 -2.58 0.05 0.00 0.77 0.00 0.00 66.41 64.83 1ls8 h THR 116 Cb 0.40 3.10 -0.06 0.00 -1.74 0.00 0.00 68.15 69.86 1ls8 h THR 116 CO 0.01 0.75 0.59 0.00 0.37 0.00 0.00 175.52 177.24 1ls8 h PHE 118 N 1.07 0.56 -0.50 0.00 3.04 -0.57 0.14 116.94 120.69 1ls8 h PHE 118 Ca 0.37 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.31 1ls8 h PHE 118 Cb 0.11 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.43 1ls8 h PHE 118 CO -0.00 0.28 0.19 -0.22 -2.02 0.00 0.00 178.31 176.55 1ls8 h LYS 119 N 0.59 0.76 -0.02 1.11 1.63 -1.33 -2.36 116.57 116.94 1ls8 h LYS 119 Ca 0.25 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1ls8 h LYS 119 Cb 0.13 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.64 1ls8 h LYS 119 CO -0.15 0.68 0.01 0.00 -3.45 0.00 0.00 179.45 176.54 1ls8 h ALA 120 N 1.04 0.02 -0.86 5.00 0.00 -0.58 -2.37 119.26 121.52 1ls8 h ALA 120 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1ls8 h ALA 120 Cb 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1ls8 h ALA 120 CO -0.01 -0.47 0.47 0.93 0.00 0.00 0.00 179.25 180.17 1ls8 h GLU 121 N 0.01 1.21 0.00 0.00 4.39 -0.74 -0.37 114.58 119.08 1ls8 h GLU 121 Ca 0.01 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1ls8 h GLU 121 Cb 0.02 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.43 1ls8 h GLU 121 CO -0.00 0.89 -0.02 0.82 -1.16 0.00 0.00 179.01 179.53 1ls8 h ILE 122 N 1.21 0.92 0.12 3.13 1.08 -1.16 0.15 117.51 122.96 1ls8 h ILE 122 Ca 0.30 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.68 1ls8 h ILE 122 Cb 0.03 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1ls8 h ILE 122 CO -0.05 0.02 -0.06 -0.74 -0.69 0.00 0.00 178.15 176.64 1ls8 h HIS 123 N 0.00 -0.15 0.00 1.37 2.76 -0.61 -1.31 115.15 117.21 1ls8 h HIS 123 Ca -0.00 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1ls8 h HIS 123 Cb 0.05 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.05 1ls8 h HIS 123 CO 0.00 0.32 -0.09 1.57 -1.30 0.00 0.00 177.93 178.43 1ls8 h LYS 124 N -0.89 0.00 0.00 5.26 5.09 -0.84 -0.14 116.57 125.05 1ls8 h LYS 124 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.72 1ls8 h LYS 124 Cb 0.53 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.86 1ls8 h LYS 124 CO 0.03 0.09 0.00 1.28 -2.09 0.00 0.00 179.45 178.76 1ls8 n LEU 125 N -3.70 0.00 -0.46 7.07 4.77 0.50 -4.88 117.00 120.31 1ls8 n LEU 125 Ca -0.02 0.37 -0.06 0.00 -0.03 0.00 0.00 56.01 56.27 1ls8 n LEU 125 Cb 0.20 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1ls8 n LEU 125 CO 0.29 -0.18 -0.06 -3.20 -1.33 0.00 0.00 177.39 172.92 1ls8 n ASN 126 N -1.37 -4.88 -2.03 -1.43 5.15 -0.07 -4.91 115.26 105.72 1ls8 n ASN 126 Ca 0.06 0.15 -0.23 0.00 -0.60 0.00 0.00 54.58 53.96 1ls8 n ASN 126 Cb 0.15 -2.91 0.07 0.00 -0.53 0.00 0.00 39.78 36.56 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 -2.44 2.21 -3.84 1.20 8.01 -0.50 -4.75 117.44 117.34 1ls8 n TRP 127 Ca -0.06 -2.21 -0.33 0.00 -1.31 0.00 0.00 57.50 53.60 1ls8 n TRP 127 Cb 0.39 -1.07 -0.12 0.00 -2.01 0.00 0.00 31.31 28.50 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 -2.57 3.49 0.19 6.99 0.00 -1.25 -4.86 121.76 123.76 1ls8 s ALA 128 Ca 0.44 -3.34 -0.02 0.00 0.00 0.00 0.00 51.96 49.04 1ls8 s ALA 128 Cb 0.35 -2.40 0.10 0.00 0.00 0.00 0.00 23.12 21.17 1ls8 s ALA 128 CO 0.01 -2.07 1.47 -1.00 0.00 0.00 0.00 175.76 174.18 1ls8 h PRO 129 N 6.62 0.46 -5.20 0.00 0.13 -1.96 -3.47 132.00 128.58 1ls8 h PRO 129 Ca -0.03 -0.33 -0.27 0.00 -0.87 0.00 0.00 66.00 64.50 1ls8 h PRO 129 Cb 0.90 0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.01 1ls8 h PRO 129 CO 0.71 0.95 -0.38 0.43 -0.23 0.00 0.00 178.00 179.48 1ls8 n SER 130 N -3.90 -2.67 -0.24 1.44 7.64 -1.26 -4.86 113.62 109.78 1ls8 n SER 130 Ca -0.04 -0.10 0.04 0.00 1.01 0.00 0.00 58.87 59.78 1ls8 n SER 130 Cb 0.65 -2.29 0.16 0.00 -1.01 0.00 0.00 64.21 61.72 1ls8 n SER 130 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 1ls8 h MET 131 N -0.46 0.20 0.00 1.43 -1.53 -2.03 -3.45 114.93 109.10 1ls8 h MET 131 Ca -0.29 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 55.96 1ls8 h MET 131 Cb 1.20 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 32.20 1ls8 h MET 131 CO 0.38 0.13 0.00 -3.47 0.14 0.00 0.00 176.91 174.09 1ls8 n ASP 132 N -5.21 0.00 -3.41 1.39 -0.08 -1.26 -5.17 116.55 102.80 1ls8 n ASP 132 Ca 0.13 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.25 1ls8 n ASP 132 Cb 0.43 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.87 1ls8 n ASP 132 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1ls8 n VAL 133 N 0.00 0.00 0.03 5.18 3.14 -1.26 -5.12 118.33 120.30 1ls8 n VAL 133 Ca 0.00 -1.19 0.00 0.00 -2.96 0.00 0.00 64.34 60.19 1ls8 n VAL 133 Cb 0.00 0.03 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 1ls8 n VAL 133 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ls8 n ALA 134 N -2.27 2.45 -3.66 1.55 0.00 -1.26 -5.05 120.51 112.27 1ls8 n ALA 134 Ca -0.10 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.07 1ls8 n ALA 134 Cb 0.33 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.61 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 -2.00 0.16 -5.00 0.00 1.01 -1.26 -4.98 120.40 108.32 1ls8 s VAL 135 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.65 1ls8 s VAL 135 Cb 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.62 1ls8 s VAL 135 CO 0.00 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1ls8 n GLY 136 N 5.19 -0.94 0.00 4.51 0.00 -1.25 -4.42 105.19 108.28 1ls8 n GLY 136 Ca -0.08 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.93 0.75 0.00 1.61 0.28 -1.26 -5.04 120.64 116.05 1ls8 n GLU 137 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1ls8 n GLU 137 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 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 0.00 -2.24 3.84 2.08 -1.26 -4.87 119.36 116.91 1ls8 n ILE 138 Ca 0.00 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 1ls8 n ILE 138 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 38.90 1ls8 n ILE 138 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 1ls8 n LEU 139 N 0.00 -1.92 -4.11 1.39 -0.00 -1.26 -5.04 117.00 106.06 1ls8 n LEU 139 Ca 0.00 0.13 -0.11 0.00 -0.00 0.00 0.00 56.01 56.03 1ls8 n LEU 139 Cb 0.00 -0.95 -0.08 0.00 -0.00 0.00 0.00 43.42 42.39 1ls8 n LEU 139 CO 0.00 -0.56 -0.11 0.00 -0.00 0.00 0.00 177.39 176.72 1ls8 s ALA 140 N -0.69 0.62 -1.70 1.96 0.00 -1.26 -4.95 121.76 115.75 1ls8 s ALA 140 Ca 0.08 -1.36 -0.13 0.00 0.00 0.00 0.00 51.96 50.54 1ls8 s ALA 140 Cb -0.01 1.19 0.13 0.00 0.00 0.00 0.00 23.12 24.43 1ls8 s ALA 140 CO 0.17 -0.66 0.46 -0.85 0.00 0.00 0.00 175.76 174.88 1ls8 n GLU 141 N -0.28 -1.65 0.00 0.00 0.28 -1.26 -5.24 120.64 112.49 1ls8 n GLU 141 Ca -0.01 0.21 0.00 0.00 -0.16 0.00 0.00 57.16 57.20 1ls8 n GLU 141 Cb 0.64 -4.47 0.00 0.00 1.43 0.00 0.00 31.44 29.04 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52