#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 0.10 0.00 4.33 3.07 -1.97 -3.26 115.11 117.37 1ls8 h GLN 2 Ca 0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 58.65 58.66 1ls8 h GLN 2 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.56 1ls8 h GLN 2 CO 0.00 0.55 -0.24 1.49 0.09 0.00 0.00 178.83 180.72 1ls8 h GLU 3 N 0.08 0.00 -0.95 0.06 4.57 -1.99 -3.09 114.58 113.27 1ls8 h GLU 3 Ca 0.00 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.38 1ls8 h GLU 3 Cb 0.86 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.36 1ls8 h GLU 3 CO 0.07 0.37 0.61 0.28 -1.18 0.00 0.00 179.01 179.15 1ls8 h VAL 4 N -1.00 0.70 -0.44 0.32 2.07 -1.91 0.48 116.25 116.46 1ls8 h VAL 4 Ca -0.04 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 1ls8 h VAL 4 Cb 0.50 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1ls8 h VAL 4 CO -0.02 0.10 0.12 0.24 0.02 0.00 0.00 177.57 178.03 1ls8 h MET 5 N 0.55 0.69 -0.95 1.57 2.86 -1.69 1.00 114.93 118.96 1ls8 h MET 5 Ca 0.51 -0.16 0.05 0.00 -2.06 0.00 0.00 59.70 58.04 1ls8 h MET 5 Cb 1.06 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.56 1ls8 h MET 5 CO -0.25 0.69 0.61 -0.22 1.06 0.00 0.00 176.91 178.80 1ls8 h LYS 6 N 0.57 1.11 0.00 1.72 1.63 -0.68 -3.31 116.57 117.61 1ls8 h LYS 6 Ca 0.14 -0.07 -0.17 0.00 -0.85 0.00 0.00 60.65 59.70 1ls8 h LYS 6 Cb 0.29 -0.25 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 1ls8 h LYS 6 CO -0.00 0.73 -0.81 -0.97 -3.45 0.00 0.00 179.45 174.95 1ls8 h ASN 7 N 1.14 0.00 0.00 4.20 -1.24 0.86 -3.36 115.58 117.17 1ls8 h ASN 7 Ca 0.40 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.41 1ls8 h ASN 7 Cb 0.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.16 1ls8 h ASN 7 CO -0.16 0.81 0.00 0.18 -1.29 0.00 0.00 177.43 176.97 1ls8 n LEU 8 N -3.50 0.00 0.00 0.34 4.77 0.24 -4.81 117.00 114.05 1ls8 n LEU 8 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ls8 n LEU 8 Cb 0.80 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 1ls8 n LEU 8 CO 0.44 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.30 1ls8 n SER 9 N 0.00 0.00 0.00 -1.43 7.64 -1.26 -4.84 113.62 113.73 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 -0.78 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 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 0.07 -3.43 4.32 -1.26 -1.58 117.00 115.12 1ls8 n LEU 10 Ca 0.00 0.46 -0.10 0.00 -0.02 0.00 0.00 56.01 56.36 1ls8 n LEU 10 Cb 0.00 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 41.81 1ls8 n LEU 10 CO 0.00 0.00 0.31 0.78 -1.22 0.00 0.00 177.39 177.26 1ls8 h ASN 11 N 0.00 0.42 -1.06 -1.43 2.35 -1.94 -3.15 115.58 110.76 1ls8 h ASN 11 Ca 0.00 -0.30 0.33 0.00 -0.55 0.00 0.00 56.30 55.78 1ls8 h ASN 11 Cb 0.00 -0.13 -0.13 0.00 0.05 0.00 0.00 38.32 38.11 1ls8 h ASN 11 CO 0.00 1.05 0.64 0.15 -1.65 0.00 0.00 177.43 177.62 1ls8 h PHE 12 N 0.22 0.82 0.00 1.19 3.04 -1.67 -0.98 116.94 119.56 1ls8 h PHE 12 Ca -0.04 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1ls8 h PHE 12 Cb 1.39 -0.22 0.00 0.00 2.56 0.00 0.00 35.95 39.68 1ls8 h PHE 12 CO 0.04 -0.12 -0.45 0.41 -2.02 0.00 0.00 178.31 176.17 1ls8 n GLY 13 N -1.36 0.00 0.24 2.40 0.00 -1.00 -4.65 105.19 100.82 1ls8 n GLY 13 Ca 0.31 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 0.00 1.61 3.11 -1.50 -0.02 116.57 119.78 1ls8 h LYS 14 Ca 0.00 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 1ls8 h LYS 14 Cb 0.23 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.44 1ls8 h LYS 14 CO 0.00 0.11 -0.39 0.00 -2.81 0.00 0.00 179.45 176.36 1ls8 h ALA 15 N 1.89 0.95 -0.37 5.00 0.00 -1.31 -3.36 119.26 122.07 1ls8 h ALA 15 Ca -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1ls8 h ALA 15 Cb 0.74 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1ls8 h ALA 15 CO 0.01 0.49 0.14 1.25 0.00 0.00 0.00 179.25 181.14 1ls8 h LEU 16 N 0.00 0.47 -0.97 0.00 5.85 -1.10 -1.64 115.31 117.92 1ls8 h LEU 16 Ca -0.00 -0.05 0.25 0.00 0.84 0.00 0.00 57.88 58.91 1ls8 h LEU 16 Cb 0.96 -0.12 -0.13 0.00 0.37 0.00 0.00 40.66 41.74 1ls8 h LEU 16 CO 0.05 0.44 0.52 -0.78 -0.34 0.00 0.00 178.44 178.33 1ls8 h ASP 17 N 0.52 0.53 -0.10 1.25 3.58 -1.71 0.28 116.42 120.77 1ls8 h ASP 17 Ca 0.13 0.15 -0.09 0.00 0.42 0.00 0.00 57.03 57.64 1ls8 h ASP 17 Cb 0.13 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1ls8 h ASP 17 CO -0.01 0.04 -0.29 -0.33 -2.88 0.00 0.00 179.24 175.76 1ls8 h GLU 18 N 0.49 0.38 -0.48 0.28 5.08 -1.55 0.06 114.58 118.84 1ls8 h GLU 18 Ca 0.63 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.65 1ls8 h GLU 18 Cb 1.22 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.49 1ls8 h GLU 18 CO -0.51 0.89 0.04 0.00 -1.00 0.00 0.00 179.01 178.43 1ls8 h LYS 20 N 0.72 0.58 -0.44 0.00 1.57 -0.40 0.72 116.57 119.33 1ls8 h LYS 20 Ca 0.15 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1ls8 h LYS 20 Cb 0.39 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1ls8 h LYS 20 CO 0.01 0.58 0.12 -0.22 -0.57 0.00 0.00 179.45 179.37 1ls8 h LYS 21 N 0.46 0.69 0.72 3.15 3.11 -0.58 0.43 116.57 124.55 1ls8 h LYS 21 Ca 0.12 -0.16 -0.04 0.00 -2.81 0.00 0.00 60.65 57.77 1ls8 h LYS 21 Cb 0.24 -0.09 0.01 0.00 -1.00 0.00 0.00 32.23 31.38 1ls8 h LYS 21 CO -0.01 0.69 -0.35 0.93 -2.81 0.00 0.00 179.45 177.90 1ls8 h GLU 22 N 0.57 -0.93 0.00 1.90 4.39 -0.71 -3.12 114.58 116.68 1ls8 h GLU 22 Ca 0.14 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1ls8 h GLU 22 Cb 0.30 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1ls8 h GLU 22 CO -0.00 -0.62 0.00 -1.33 -1.16 0.00 0.00 179.01 175.90 1ls8 n MET 23 N -4.70 0.14 -3.48 2.33 2.81 0.23 -4.92 117.12 109.52 1ls8 n MET 23 Ca -0.12 0.10 -0.17 0.00 -1.81 0.00 0.00 57.70 55.70 1ls8 n MET 23 Cb 0.38 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 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 -1.41 -6.02 -3.91 2.03 -1.04 -0.01 -5.02 114.28 98.89 1ls8 n THR 24 Ca 0.08 -0.03 -0.33 0.00 -2.04 0.00 0.00 64.05 61.73 1ls8 n THR 24 Cb 0.22 -4.52 -0.05 0.00 -1.82 0.00 0.00 70.33 64.17 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 -4.30 4.36 0.48 -4.42 1.43 -0.30 -5.03 118.68 110.90 1ls8 s LEU 25 Ca 0.05 0.32 -0.12 0.00 -1.03 0.00 0.00 54.13 53.35 1ls8 s LEU 25 Cb -0.01 -2.73 -0.06 0.00 0.03 0.00 0.00 46.19 43.42 1ls8 s LEU 25 CO 0.84 0.23 0.88 0.42 0.23 0.00 0.00 176.35 178.95 1ls8 s THR 26 N -1.39 4.71 -0.57 5.49 -4.23 -1.26 -4.81 115.64 113.58 1ls8 s THR 26 Ca 0.30 0.79 0.02 0.00 -1.18 0.00 0.00 61.69 61.62 1ls8 s THR 26 Cb -0.13 -3.77 0.13 0.00 1.34 0.00 0.00 72.50 70.08 1ls8 s THR 26 CO 0.22 -0.71 0.88 -0.67 -0.54 0.00 0.00 174.62 173.80 1ls8 n ASP 27 N -1.72 2.31 -0.32 3.99 -0.08 -1.26 -2.77 116.55 116.70 1ls8 n ASP 27 Ca 0.04 -2.20 0.12 0.00 -1.51 0.00 0.00 54.79 51.23 1ls8 n ASP 27 Cb 0.54 -0.54 0.13 0.00 2.34 0.00 0.00 41.12 43.59 1ls8 n ASP 27 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ls8 n ALA 28 N 0.15 3.55 0.39 -1.67 0.00 -1.26 -3.77 120.51 117.90 1ls8 n ALA 28 Ca 0.07 -0.54 0.13 0.00 0.00 0.00 0.00 53.44 53.10 1ls8 n ALA 28 Cb 0.52 -0.93 0.51 0.00 0.00 0.00 0.00 19.45 19.56 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 1.56 0.00 0.28 0.00 3.07 -1.92 -2.73 117.51 117.77 1ls8 h ILE 29 Ca 0.00 -0.28 -0.01 0.00 1.55 0.00 0.00 64.86 66.12 1ls8 h ILE 29 Cb 0.62 1.06 0.00 0.00 -0.27 0.00 0.00 36.82 38.24 1ls8 h ILE 29 CO 0.00 0.00 -0.14 0.78 -1.05 0.00 0.00 178.15 177.74 1ls8 h ASN 30 N 0.00 -0.32 -0.28 2.16 2.35 -1.85 -2.28 115.58 115.36 1ls8 h ASN 30 Ca 0.00 -0.06 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 1ls8 h ASN 30 Cb 0.40 0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 1ls8 h ASN 30 CO 0.00 -0.15 -0.16 1.05 -1.65 0.00 0.00 177.43 176.53 1ls8 h GLU 31 N -0.48 0.72 -0.73 0.81 -0.00 -1.70 -3.17 114.58 110.03 1ls8 h GLU 31 Ca -0.04 -0.25 -0.01 0.00 -0.00 0.00 0.00 59.36 59.06 1ls8 h GLU 31 Cb 0.36 -0.05 -0.04 0.00 -0.00 0.00 0.00 28.75 29.03 1ls8 h GLU 31 CO 0.06 0.84 0.40 0.22 -0.00 0.00 0.00 179.01 180.53 1ls8 h ASP 32 N 0.64 0.89 0.68 3.06 1.82 -1.36 0.23 116.42 122.38 1ls8 h ASP 32 Ca 0.10 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.67 1ls8 h ASP 32 Cb 0.63 -0.23 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1ls8 h ASP 32 CO 0.04 0.72 0.00 -0.26 -1.61 0.00 0.00 179.24 178.13 1ls8 h PHE 33 N 1.01 0.00 0.00 0.28 -1.00 -1.38 -3.35 116.94 112.50 1ls8 h PHE 33 Ca 0.26 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.04 1ls8 h PHE 33 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1ls8 h PHE 33 CO 0.01 0.00 -0.00 0.98 -1.61 0.00 0.00 178.31 177.68 1ls8 n TYR 34 N -2.52 0.00 -3.92 -0.55 9.36 -0.41 -4.96 117.16 114.16 1ls8 n TYR 34 Ca 0.01 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.93 1ls8 n TYR 34 Cb 0.22 0.00 -0.13 0.00 -0.63 0.00 0.00 39.34 38.80 1ls8 n TYR 34 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 1ls8 s ASN 35 N -0.18 4.53 0.00 2.98 0.01 0.66 -4.87 114.94 118.07 1ls8 s ASN 35 Ca 0.00 -3.20 0.00 0.00 -0.71 0.00 0.00 52.86 48.95 1ls8 s ASN 35 Cb 0.00 -1.66 0.00 0.00 0.41 0.00 0.00 41.25 40.00 1ls8 s ASN 35 CO 0.00 -0.21 0.00 0.49 -1.51 0.00 0.00 177.10 175.87 1ls8 n PHE 36 N 2.87 0.00 -3.99 2.20 3.01 -1.26 -4.72 117.46 115.57 1ls8 n PHE 36 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1ls8 n PHE 36 Cb 0.33 -0.48 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 1ls8 n PHE 36 CO 0.00 0.00 0.00 1.87 1.01 0.00 0.00 176.76 179.64 1ls8 n TRP 37 N -2.01 0.00 -3.01 1.38 -0.00 -1.26 -4.65 117.44 107.88 1ls8 n TRP 37 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.50 57.34 1ls8 n TRP 37 Cb 0.00 0.07 -0.01 0.00 -0.00 0.00 0.00 31.31 31.37 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 1.74 -2.75 -0.60 5.87 4.76 -1.26 -1.74 118.16 124.17 1ls8 n LYS 38 Ca 0.00 0.36 -0.01 0.00 -2.87 0.00 0.00 58.31 55.78 1ls8 n LYS 38 Cb 0.00 -4.97 -0.01 0.00 -1.84 0.00 0.00 35.03 28.21 1ls8 n LYS 38 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1ls8 n GLU 39 N -3.21 -1.55 0.00 1.97 0.28 -1.26 -3.13 120.64 113.74 1ls8 n GLU 39 Ca -0.03 0.12 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 1ls8 n GLU 39 Cb 0.54 -3.53 0.00 0.00 1.43 0.00 0.00 31.44 29.88 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 0.05 0.58 1.99 -1.84 0.00 -0.71 -5.15 105.19 100.11 1ls8 n GLY 40 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ls8 n GLY 40 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ls8 n TYR 41 N 0.00 -2.74 -2.53 1.61 9.36 -1.18 -4.90 117.16 116.78 1ls8 n TYR 41 Ca 0.00 1.64 -0.43 0.00 3.32 0.00 0.00 57.90 62.43 1ls8 n TYR 41 Cb 0.00 -2.38 -0.02 0.00 -0.63 0.00 0.00 39.34 36.31 1ls8 n TYR 41 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1ls8 s GLU 42 N -0.31 4.01 -0.58 2.98 2.12 -1.26 -4.98 118.70 120.68 1ls8 s GLU 42 Ca 0.00 1.18 -0.28 0.00 0.36 0.00 0.00 54.97 56.24 1ls8 s GLU 42 Cb 0.00 -3.80 0.01 0.00 0.26 0.00 0.00 34.13 30.60 1ls8 s GLU 42 CO 0.00 -0.99 1.49 0.42 -0.54 0.00 0.00 175.26 175.64 1ls8 s ILE 43 N 3.96 3.69 -0.46 -3.70 1.01 -1.26 -4.87 121.20 119.57 1ls8 s ILE 43 Ca 0.51 0.55 0.24 0.00 0.00 0.00 0.00 60.65 61.95 1ls8 s ILE 43 Cb -0.15 -4.39 0.33 0.00 0.01 0.00 0.00 42.46 38.27 1ls8 s ILE 43 CO 0.19 -1.19 1.67 0.11 0.00 0.00 0.00 174.94 175.72 1ls8 h LYS 44 N 11.65 0.00 -6.58 2.79 1.57 -2.04 -3.45 116.57 120.51 1ls8 h LYS 44 Ca -0.27 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.98 1ls8 h LYS 44 Cb 1.10 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.44 1ls8 h LYS 44 CO 1.19 0.00 0.74 1.21 -0.57 0.00 0.00 179.45 182.02 1ls8 s ASN 45 N -5.81 6.79 -0.16 0.86 2.47 -1.26 -4.93 114.94 112.89 1ls8 s ASN 45 Ca 0.07 2.40 0.16 0.00 0.42 0.00 0.00 52.86 55.91 1ls8 s ASN 45 Cb 0.07 -2.59 -0.23 0.00 -1.45 0.00 0.00 41.25 37.05 1ls8 s ASN 45 CO 0.64 -0.67 0.10 0.54 -3.72 0.00 0.00 177.10 173.99 1ls8 n ARG 46 N 3.70 1.06 0.23 0.43 5.12 -1.26 -4.44 116.66 121.49 1ls8 n ARG 46 Ca 0.11 -0.03 0.12 0.00 -1.93 0.00 0.00 57.85 56.12 1ls8 n ARG 46 Cb 0.42 -1.45 0.72 0.00 -1.16 0.00 0.00 32.46 30.98 1ls8 n ARG 46 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 1ls8 h GLU 47 N 0.00 0.00 0.20 5.56 5.08 -1.98 -2.69 114.58 120.75 1ls8 h GLU 47 Ca -0.43 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1ls8 h GLU 47 Cb 1.96 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.18 1ls8 h GLU 47 CO 0.02 0.00 -0.33 1.15 -1.00 0.00 0.00 179.01 178.85 1ls8 h THR 48 N 0.00 0.31 0.00 1.13 2.02 -1.96 -0.93 112.91 113.47 1ls8 h THR 48 Ca 0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.20 1ls8 h THR 48 Cb 0.17 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1ls8 h THR 48 CO -0.00 0.00 -0.12 1.23 0.37 0.00 0.00 175.52 177.00 1ls8 h GLY 49 N -0.61 0.00 0.66 2.16 0.00 -1.70 0.15 103.07 103.74 1ls8 h GLY 49 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 1ls8 h GLY 49 CO -0.14 0.00 -0.00 0.00 0.00 0.00 0.00 176.54 176.40 1ls8 h ALA 51 N 0.66 0.64 0.16 0.00 0.00 -0.28 0.49 119.26 120.93 1ls8 h ALA 51 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ls8 h ALA 51 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ls8 h ALA 51 CO 0.00 0.14 -0.19 0.82 0.00 0.00 0.00 179.25 180.02 1ls8 h ILE 52 N 0.67 0.58 -0.53 0.00 2.04 -0.72 -1.38 117.51 118.17 1ls8 h ILE 52 Ca 0.18 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.02 1ls8 h ILE 52 Cb 0.01 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1ls8 h ILE 52 CO -0.03 0.00 0.25 -0.03 0.00 0.00 0.00 178.15 178.34 1ls8 h MET 53 N -0.40 0.77 -0.68 2.37 4.05 -0.97 -1.91 114.93 118.16 1ls8 h MET 53 Ca 0.01 -0.12 0.13 0.00 -0.28 0.00 0.00 59.70 59.44 1ls8 h MET 53 Cb 0.39 -0.14 -0.09 0.00 -0.80 0.00 0.00 31.60 30.96 1ls8 h MET 53 CO -0.07 0.64 0.19 0.00 0.23 0.00 0.00 176.91 177.90 1ls8 h LEU 55 N 0.31 -1.11 -0.77 0.00 3.38 -0.95 -2.75 115.31 113.42 1ls8 h LEU 55 Ca 0.37 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.54 1ls8 h LEU 55 Cb 0.57 0.32 -0.09 0.00 0.09 0.00 0.00 40.66 41.54 1ls8 h LEU 55 CO -0.43 -0.67 0.32 0.28 0.09 0.00 0.00 178.44 178.02 1ls8 h SER 56 N -1.08 0.31 0.00 -0.43 0.02 -0.42 0.10 113.55 112.05 1ls8 h SER 56 Ca -0.10 0.11 0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1ls8 h SER 56 Cb 0.86 0.08 -0.06 0.00 0.14 0.00 0.00 62.40 63.43 1ls8 h SER 56 CO 0.10 0.12 -0.52 0.74 -1.14 0.00 0.00 176.83 176.13 1ls8 h THR 57 N 0.46 0.03 0.00 -2.27 2.02 -0.69 0.27 112.91 112.72 1ls8 h THR 57 Ca 0.42 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.53 1ls8 h THR 57 Cb 0.63 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1ls8 h THR 57 CO -0.40 0.00 -0.33 0.50 0.37 0.00 0.00 175.52 175.66 1ls8 h LYS 58 N -0.66 0.00 -0.00 6.66 1.63 -0.89 -1.40 116.57 121.91 1ls8 h LYS 58 Ca 0.02 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1ls8 h LYS 58 Cb 0.72 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1ls8 h LYS 58 CO -0.35 0.33 -0.04 1.28 -3.45 0.00 0.00 179.45 177.22 1ls8 n LEU 59 N -3.58 0.18 -2.68 5.20 4.77 -0.11 -4.93 117.00 115.86 1ls8 n LEU 59 Ca -0.01 0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 1ls8 n LEU 59 Cb 0.46 -0.22 -0.00 0.00 -2.33 0.00 0.00 43.42 41.33 1ls8 n LEU 59 CO 0.36 0.03 -0.11 0.59 -1.33 0.00 0.00 177.39 176.93 1ls8 n ASN 60 N -1.13 -3.53 0.31 -1.43 3.02 -0.48 -4.85 115.26 107.17 1ls8 n ASN 60 Ca 0.15 0.08 0.19 0.00 -0.03 0.00 0.00 54.58 54.98 1ls8 n ASN 60 Cb 0.24 -3.00 1.01 0.00 -0.61 0.00 0.00 39.78 37.42 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 -0.25 0.00 -6.06 3.52 4.05 -1.24 -3.43 114.93 111.51 1ls8 h MET 61 Ca -0.29 0.00 -0.58 0.00 -0.28 0.00 0.00 59.70 58.55 1ls8 h MET 61 Cb 1.21 0.00 -0.26 0.00 -0.80 0.00 0.00 31.60 31.75 1ls8 h MET 61 CO 0.35 0.02 -0.84 -0.51 0.23 0.00 0.00 176.91 176.16 1ls8 s LEU 62 N -6.72 2.17 1.13 3.39 1.43 -1.26 -0.93 118.68 117.89 1ls8 s LEU 62 Ca -0.04 -0.53 -0.16 0.00 -1.03 0.00 0.00 54.13 52.37 1ls8 s LEU 62 Cb 0.13 -0.96 0.25 0.00 0.03 0.00 0.00 46.19 45.64 1ls8 s LEU 62 CO 0.49 0.15 1.09 -1.81 0.23 0.00 0.00 176.35 176.50 1ls8 s ASP 63 N -1.21 1.54 0.00 2.29 1.01 -1.10 -4.82 116.67 114.38 1ls8 s ASP 63 Ca 0.07 0.90 0.20 0.00 0.71 0.00 0.00 52.55 54.43 1ls8 s ASP 63 Cb -0.09 -1.36 1.01 0.00 1.01 0.00 0.00 42.92 43.50 1ls8 s ASP 63 CO 0.02 -3.77 1.60 -0.81 0.21 0.00 0.00 175.17 172.42 1ls8 n PRO 64 N -4.56 0.32 0.15 8.23 -0.04 -1.26 -1.24 135.00 136.60 1ls8 n PRO 64 Ca 0.09 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.76 1ls8 n PRO 64 Cb 0.58 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.79 1ls8 n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ls8 h GLU 65 N 0.00 0.00 0.00 0.54 3.07 -2.05 -3.48 114.58 112.66 1ls8 h GLU 65 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ls8 h GLU 65 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1ls8 h GLU 65 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1ls8 n GLY 66 N 1.20 0.92 3.78 -3.84 0.00 -0.37 -5.06 105.19 101.82 1ls8 n GLY 66 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 1ls8 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ls8 s ASN 67 N -2.98 5.58 -0.04 1.61 2.20 -1.26 -4.81 114.94 115.24 1ls8 s ASN 67 Ca 0.00 2.00 -0.30 0.00 -0.94 0.00 0.00 52.86 53.62 1ls8 s ASN 67 Cb 0.00 -2.56 -0.05 0.00 -2.00 0.00 0.00 41.25 36.64 1ls8 s ASN 67 CO 0.00 -1.31 1.54 -0.22 -2.94 0.00 0.00 177.10 174.18 1ls8 s LEU 68 N -4.31 4.31 -0.56 3.54 0.20 -1.26 -2.72 118.68 117.88 1ls8 s LEU 68 Ca 0.68 2.17 -0.27 0.00 0.69 0.00 0.00 54.13 57.40 1ls8 s LEU 68 Cb -0.20 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 42.01 1ls8 s LEU 68 CO 0.34 -0.85 1.69 -2.28 -0.29 0.00 0.00 176.35 174.96 1ls8 s HIS 69 N 3.39 1.89 0.13 5.38 5.65 -0.11 -4.90 115.29 126.72 1ls8 s HIS 69 Ca 0.69 0.62 -0.31 0.00 0.25 0.00 0.00 55.06 56.31 1ls8 s HIS 69 Cb -0.32 -4.21 -0.07 0.00 -1.18 0.00 0.00 32.58 26.80 1ls8 s HIS 69 CO 0.27 -2.31 1.56 0.45 -0.65 0.00 0.00 174.74 174.07 1ls8 h HIS 70 N 13.28 -1.45 0.00 3.88 -0.00 -1.92 -0.51 115.15 128.43 1ls8 h HIS 70 Ca -0.28 0.07 -0.09 0.00 -0.00 0.00 0.00 60.37 60.07 1ls8 h HIS 70 Cb 1.14 0.67 -0.01 0.00 -0.00 0.00 0.00 27.41 29.21 1ls8 h HIS 70 CO 1.03 -0.49 -0.43 0.78 -0.00 0.00 0.00 177.93 178.83 1ls8 h GLY 71 N -0.45 0.00 0.82 2.45 0.00 -1.96 -0.86 103.07 103.08 1ls8 h GLY 71 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.25 1ls8 h GLY 71 CO -0.51 0.00 -0.61 3.43 0.00 0.00 0.00 176.54 178.85 1ls8 h ASN 72 N 0.00 0.57 -0.75 0.19 4.21 -1.76 0.14 115.58 118.18 1ls8 h ASN 72 Ca -0.00 -0.74 0.01 0.00 1.21 0.00 0.00 56.30 56.77 1ls8 h ASN 72 Cb 1.09 -0.17 -0.04 0.00 -1.12 0.00 0.00 38.32 38.08 1ls8 h ASN 72 CO 0.06 1.23 0.49 0.00 -1.29 0.00 0.00 177.43 177.92 1ls8 h ALA 73 N 0.35 0.95 -0.41 -0.83 0.00 -1.11 -1.06 119.26 117.15 1ls8 h ALA 73 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ls8 h ALA 73 Cb 1.31 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1ls8 h ALA 73 CO 0.12 0.37 0.27 1.98 0.00 0.00 0.00 179.25 181.99 1ls8 h MET 74 N 1.01 0.54 -0.28 0.00 1.85 -1.07 -1.79 114.93 115.20 1ls8 h MET 74 Ca 0.27 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.31 1ls8 h MET 74 Cb -0.11 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 31.78 1ls8 h MET 74 CO -0.06 0.36 0.10 0.93 -0.40 0.00 0.00 176.91 177.84 1ls8 h GLU 75 N 0.55 0.39 -0.24 0.39 5.08 -0.30 0.13 114.58 120.59 1ls8 h GLU 75 Ca 0.15 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1ls8 h GLU 75 Cb -0.06 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1ls8 h GLU 75 CO -0.03 0.34 0.02 0.35 -1.00 0.00 0.00 179.01 178.69 1ls8 h PHE 76 N 0.39 0.44 -0.45 4.33 3.57 -0.74 -3.17 116.94 121.31 1ls8 h PHE 76 Ca 0.10 -0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.39 1ls8 h PHE 76 Cb 0.10 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1ls8 h PHE 76 CO 0.00 0.55 -0.28 0.00 -2.23 0.00 0.00 178.31 176.36 1ls8 h ALA 77 N 0.83 0.64 0.00 2.41 0.00 -0.79 -3.17 119.26 119.18 1ls8 h ALA 77 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ls8 h ALA 77 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ls8 h ALA 77 CO 0.01 0.68 0.00 1.57 0.00 0.00 0.00 179.25 181.51 1ls8 h LYS 78 N 0.83 0.00 -1.02 0.00 2.10 -0.77 -3.03 116.57 114.68 1ls8 h LYS 78 Ca 0.09 0.00 0.25 0.00 -2.00 0.00 0.00 60.65 58.99 1ls8 h LYS 78 Cb 0.87 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.09 1ls8 h LYS 78 CO 0.08 0.00 0.63 -0.22 -2.00 0.00 0.00 179.45 177.93 1ls8 h LYS 79 N 0.00 0.52 -0.20 0.07 1.63 -1.52 -0.08 116.57 116.98 1ls8 h LYS 79 Ca 0.00 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1ls8 h LYS 79 Cb 0.26 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1ls8 h LYS 79 CO 0.00 0.34 0.00 0.72 -3.45 0.00 0.00 179.45 177.06 1ls8 n HIS 80 N -4.77 0.26 -1.79 1.91 8.25 -1.15 -5.03 115.22 112.90 1ls8 n HIS 80 Ca 0.26 -0.27 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1ls8 n HIS 80 Cb 0.77 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.87 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 0.59 -0.14 3.49 -1.41 0.00 -0.04 -4.93 105.19 102.75 1ls8 n GLY 81 Ca 0.10 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.02 -0.12 0.43 4.61 0.00 -1.23 -4.91 121.76 117.52 1ls8 s ALA 82 Ca 0.03 -0.56 -0.22 0.00 0.00 0.00 0.00 51.96 51.21 1ls8 s ALA 82 Cb -0.00 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.96 1ls8 s ALA 82 CO 0.14 -3.86 0.99 -0.51 0.00 0.00 0.00 175.76 172.52 1ls8 s ASP 83 N -3.16 6.77 0.16 0.00 1.11 -1.26 -4.95 116.67 115.35 1ls8 s ASP 83 Ca 0.68 1.85 -0.12 0.00 0.18 0.00 0.00 52.55 55.14 1ls8 s ASP 83 Cb -0.17 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.30 1ls8 s ASP 83 CO 0.60 -0.48 1.66 1.05 1.18 0.00 0.00 175.17 179.18 1ls8 h GLU 84 N 2.07 0.90 -0.72 8.23 4.11 -1.99 -0.69 114.58 126.50 1ls8 h GLU 84 Ca -0.49 -0.23 -0.06 0.00 0.07 0.00 0.00 59.36 58.65 1ls8 h GLU 84 Cb 1.20 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1ls8 h GLU 84 CO 0.61 0.86 0.21 1.15 0.07 0.00 0.00 179.01 181.91 1ls8 h THR 85 N 0.79 1.26 -0.14 -1.06 2.02 -1.97 0.65 112.91 114.46 1ls8 h THR 85 Ca 0.17 -0.91 -0.13 0.00 0.77 0.00 0.00 66.41 66.31 1ls8 h THR 85 Cb 0.38 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1ls8 h THR 85 CO 0.01 0.36 -0.41 -0.03 0.37 0.00 0.00 175.52 175.82 1ls8 h MET 86 N 1.06 0.52 -0.28 6.66 4.05 -1.88 0.31 114.93 125.38 1ls8 h MET 86 Ca 0.23 -0.37 -0.01 0.00 -0.28 0.00 0.00 59.70 59.26 1ls8 h MET 86 Cb 0.32 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.17 1ls8 h MET 86 CO -0.01 0.99 0.12 0.00 0.23 0.00 0.00 176.91 178.24 1ls8 h ALA 87 N 0.53 0.36 -0.32 0.39 0.00 -0.93 -1.53 119.26 117.76 1ls8 h ALA 87 Ca -0.01 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1ls8 h ALA 87 Cb 1.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1ls8 h ALA 87 CO 0.09 -0.05 -0.37 0.37 0.00 0.00 0.00 179.25 179.29 1ls8 h GLN 88 N 0.30 0.73 -0.19 0.00 -0.00 -0.86 -2.46 115.11 112.62 1ls8 h GLN 88 Ca 0.09 -0.36 0.04 0.00 -0.00 0.00 0.00 58.65 58.42 1ls8 h GLN 88 Cb 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.61 1ls8 h GLN 88 CO -0.01 0.98 -0.05 1.96 0.00 0.00 0.00 178.83 181.71 1ls8 h GLN 89 N 0.60 -0.00 0.00 1.69 1.08 -0.19 -0.78 115.11 117.52 1ls8 h GLN 89 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1ls8 h GLN 89 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1ls8 h GLN 89 CO 0.08 -0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.24 1ls8 n LEU 90 N -5.20 0.68 0.09 1.46 4.32 -0.59 -0.42 117.00 117.35 1ls8 n LEU 90 Ca -0.03 0.67 -0.07 0.00 -0.02 0.00 0.00 56.01 56.56 1ls8 n LEU 90 Cb 0.12 -0.57 -0.04 0.00 -1.62 0.00 0.00 43.42 41.30 1ls8 n LEU 90 CO 0.24 -0.56 0.22 0.40 -1.22 0.00 0.00 177.39 176.47 1ls8 h ILE 91 N 0.00 0.29 -0.85 -0.08 2.04 -0.96 -3.30 117.51 114.66 1ls8 h ILE 91 Ca 0.00 -0.90 0.07 0.00 1.00 0.00 0.00 64.86 65.03 1ls8 h ILE 91 Cb 0.37 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 1ls8 h ILE 91 CO 0.00 0.08 0.51 -0.78 0.00 0.00 0.00 178.15 177.96 1ls8 h ASP 92 N -1.03 0.78 -0.18 1.72 3.58 0.23 -0.90 116.42 120.62 1ls8 h ASP 92 Ca -0.03 0.03 0.04 0.00 0.42 0.00 0.00 57.03 57.48 1ls8 h ASP 92 Cb 0.37 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.25 1ls8 h ASP 92 CO 0.05 0.49 -0.07 0.40 -2.88 0.00 0.00 179.24 177.23 1ls8 h ILE 93 N 0.91 0.76 0.50 2.25 2.04 -0.93 0.20 117.51 123.24 1ls8 h ILE 93 Ca 0.38 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.22 1ls8 h ILE 93 Cb 0.23 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1ls8 h ILE 93 CO -0.20 0.00 -0.24 0.58 0.00 0.00 0.00 178.15 178.29 1ls8 h VAL 94 N -0.04 0.46 -0.83 1.67 2.07 -1.44 -2.24 116.25 115.90 1ls8 h VAL 94 Ca 0.09 -0.25 0.10 0.00 0.82 0.00 0.00 66.70 67.46 1ls8 h VAL 94 Cb 0.18 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.45 1ls8 h VAL 94 CO -0.21 0.04 0.48 -0.74 0.02 0.00 0.00 177.57 177.16 1ls8 h HIS 95 N -0.84 0.87 -0.57 1.57 -0.00 -1.04 0.10 115.15 115.24 1ls8 h HIS 95 Ca -0.07 0.03 0.07 0.00 -0.00 0.00 0.00 60.37 60.40 1ls8 h HIS 95 Cb 0.59 -0.27 -0.06 0.00 -0.00 0.00 0.00 27.41 27.67 1ls8 h HIS 95 CO -0.01 0.36 0.25 0.78 -0.00 0.00 0.00 177.93 179.30 1ls8 h GLY 96 N 0.80 0.80 1.15 5.26 0.00 -0.49 0.66 103.07 111.26 1ls8 h GLY 96 Ca 0.40 -0.15 -0.23 0.00 0.00 0.00 0.00 47.33 47.35 1ls8 h GLY 96 CO -0.25 0.05 -0.85 0.00 0.00 0.00 0.00 176.54 175.49 1ls8 h GLU 98 N 0.44 0.69 0.00 0.00 5.08 -0.35 0.69 114.58 121.12 1ls8 h GLU 98 Ca -0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1ls8 h GLU 98 Cb 1.49 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1ls8 h GLU 98 CO 0.17 0.45 0.00 1.17 -1.00 0.00 0.00 179.01 179.81 1ls8 n LYS 99 N -4.81 0.14 0.00 2.33 0.00 0.18 -2.06 118.16 113.94 1ls8 n LYS 99 Ca 0.17 0.59 0.00 0.00 0.00 0.00 0.00 58.31 59.07 1ls8 n LYS 99 Cb 0.39 -1.92 0.00 0.00 0.00 0.00 0.00 35.03 33.50 1ls8 n LYS 99 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1ls8 n SER 100 N -2.22 0.11 -4.22 3.14 7.64 -0.38 -4.98 113.62 112.72 1ls8 n SER 100 Ca -0.01 -0.46 -0.42 0.00 1.01 0.00 0.00 58.87 59.00 1ls8 n SER 100 Cb 0.07 0.61 -0.07 0.00 -1.01 0.00 0.00 64.21 63.81 1ls8 n SER 100 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ls8 s THR 101 N -0.61 4.45 0.00 0.44 2.01 0.23 -5.03 115.64 117.13 1ls8 s THR 101 Ca 0.00 -2.07 0.00 0.00 0.31 0.00 0.00 61.69 59.93 1ls8 s THR 101 Cb 0.00 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.63 1ls8 s THR 101 CO 0.00 -0.84 0.20 -0.81 -0.69 0.00 0.00 174.62 172.47 1ls8 n PRO 102 N 4.55 0.00 -3.86 4.92 -0.04 -1.26 -4.65 135.00 134.66 1ls8 n PRO 102 Ca -0.02 0.02 -0.07 0.00 -0.04 0.00 0.00 63.50 63.38 1ls8 n PRO 102 Cb 0.41 -0.71 -0.02 0.00 -0.04 0.00 0.00 33.50 33.14 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 -3.23 -1.11 0.13 0.55 0.00 -1.26 -5.09 121.76 111.76 1ls8 s ALA 103 Ca 0.00 -0.36 0.02 0.00 0.00 0.00 0.00 51.96 51.63 1ls8 s ALA 103 Cb 0.00 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 23.99 1ls8 s ALA 103 CO 0.00 -1.01 0.09 -1.71 0.00 0.00 0.00 175.76 173.13 1ls8 n ASN 104 N -0.45 0.21 0.18 0.00 2.85 -1.26 -4.98 115.26 111.81 1ls8 n ASN 104 Ca -0.04 -1.80 0.04 0.00 -0.11 0.00 0.00 54.58 52.67 1ls8 n ASN 104 Cb 0.60 0.53 0.28 0.00 1.24 0.00 0.00 39.78 42.43 1ls8 n ASN 104 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1ls8 h ASP 105 N 0.69 0.00 -3.37 1.20 5.19 -2.04 -3.44 116.42 114.66 1ls8 h ASP 105 Ca -0.10 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.77 1ls8 h ASP 105 Cb 0.44 0.00 -0.39 0.00 0.18 0.00 0.00 39.33 39.57 1ls8 h ASP 105 CO 0.15 0.42 -0.78 -0.62 -3.12 0.00 0.00 179.24 175.29 1ls8 s ASP 106 N -6.49 2.98 0.66 6.45 2.15 -1.26 -5.00 116.67 116.16 1ls8 s ASP 106 Ca 0.00 -0.78 0.40 0.00 0.43 0.00 0.00 52.55 52.60 1ls8 s ASP 106 Cb 0.11 -0.84 2.19 0.00 -0.30 0.00 0.00 42.92 44.08 1ls8 s ASP 106 CO 0.70 -0.23 2.26 0.50 -0.17 0.00 0.00 175.17 178.23 1ls8 h LYS 107 N 8.14 0.00 -0.30 4.34 3.64 -2.00 -0.13 116.57 130.26 1ls8 h LYS 107 Ca -0.20 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.06 1ls8 h LYS 107 Cb 1.11 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 1ls8 h LYS 107 CO 0.37 0.00 -0.27 0.00 -2.27 0.00 0.00 179.45 177.28 1ls8 h ILE 109 N 0.46 1.22 -0.15 0.00 1.08 -1.37 0.15 117.51 118.91 1ls8 h ILE 109 Ca 0.05 -0.50 0.01 0.00 -0.39 0.00 0.00 64.86 64.03 1ls8 h ILE 109 Cb 0.84 0.13 -0.02 0.00 -3.07 0.00 0.00 36.82 34.71 1ls8 h ILE 109 CO 0.07 0.24 0.05 -0.25 -0.69 0.00 0.00 178.15 177.56 1ls8 h TRP 110 N 1.08 0.09 -0.33 1.37 7.01 -1.17 -1.50 115.95 122.50 1ls8 h TRP 110 Ca 0.28 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.31 1ls8 h TRP 110 Cb -0.03 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 26.99 1ls8 h TRP 110 CO -0.01 0.04 0.16 1.15 -2.79 0.00 0.00 178.44 177.00 1ls8 h THR 111 N 0.12 0.98 -0.27 2.65 2.02 -0.96 -2.43 112.91 115.01 1ls8 h THR 111 Ca 0.06 -0.11 0.06 0.00 0.77 0.00 0.00 66.41 67.19 1ls8 h THR 111 Cb 0.04 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1ls8 h THR 111 CO -0.07 0.06 0.19 -0.07 0.37 0.00 0.00 175.52 176.01 1ls8 h LEU 112 N 0.33 0.07 0.66 2.58 3.38 -0.23 0.51 115.31 122.61 1ls8 h LEU 112 Ca 0.14 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1ls8 h LEU 112 Cb 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1ls8 h LEU 112 CO -0.10 0.04 -0.40 1.23 0.09 0.00 0.00 178.44 179.30 1ls8 h GLY 113 N 0.08 -1.16 1.44 0.83 0.00 -0.78 -1.55 103.07 101.93 1ls8 h GLY 113 Ca 0.13 0.47 0.05 0.00 0.00 0.00 0.00 47.33 47.97 1ls8 h GLY 113 CO -0.01 -0.39 0.27 -2.08 0.00 0.00 0.00 176.54 174.32 1ls8 h VAL 114 N -1.00 0.98 -0.15 4.60 2.07 -1.26 -1.28 116.25 120.22 1ls8 h VAL 114 Ca -0.09 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 1ls8 h VAL 114 Cb 0.80 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1ls8 h VAL 114 CO 0.09 0.06 -0.27 0.00 0.02 0.00 0.00 177.57 177.48 1ls8 h ALA 115 N 1.78 1.28 0.00 1.67 0.00 0.16 -0.11 119.26 124.04 1ls8 h ALA 115 Ca 0.17 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1ls8 h ALA 115 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ls8 h ALA 115 CO -0.04 0.48 -0.14 1.15 0.00 0.00 0.00 179.25 180.70 1ls8 h THR 116 N 0.24 1.60 -0.38 0.00 2.02 -0.20 -2.97 112.91 113.21 1ls8 h THR 116 Ca 0.04 -1.94 0.08 0.00 0.77 0.00 0.00 66.41 65.35 1ls8 h THR 116 Cb 0.60 2.87 -0.07 0.00 -1.74 0.00 0.00 68.15 69.81 1ls8 h THR 116 CO 0.04 0.52 -0.08 0.00 0.37 0.00 0.00 175.52 176.37 1ls8 h PHE 118 N 0.01 -1.08 -0.13 0.00 3.04 -1.09 -0.38 116.94 117.31 1ls8 h PHE 118 Ca 0.19 0.04 -0.15 0.00 3.98 0.00 0.00 57.97 62.03 1ls8 h PHE 118 Cb 0.28 0.49 -0.01 0.00 2.56 0.00 0.00 35.95 39.27 1ls8 h PHE 118 CO -0.33 -0.45 -0.56 0.87 -2.02 0.00 0.00 178.31 175.81 1ls8 h LYS 119 N -0.46 0.40 -0.37 1.11 6.56 -1.25 -2.16 116.57 120.39 1ls8 h LYS 119 Ca 0.08 -0.26 -0.00 0.00 -1.06 0.00 0.00 60.65 59.42 1ls8 h LYS 119 Cb 0.60 0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 32.27 1ls8 h LYS 119 CO -0.38 0.85 0.23 0.00 -2.06 0.00 0.00 179.45 178.10 1ls8 h ALA 120 N 1.09 0.48 -0.23 3.86 0.00 -0.69 -1.30 119.26 122.46 1ls8 h ALA 120 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1ls8 h ALA 120 Cb 1.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1ls8 h ALA 120 CO 0.10 -0.03 0.12 0.93 0.00 0.00 0.00 179.25 180.36 1ls8 h GLU 121 N 0.49 0.32 -0.03 0.00 4.39 -1.01 -2.04 114.58 116.70 1ls8 h GLU 121 Ca 0.13 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.80 1ls8 h GLU 121 Cb -0.01 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1ls8 h GLU 121 CO -0.03 0.30 0.03 0.82 -1.16 0.00 0.00 179.01 178.97 1ls8 h ILE 122 N 0.26 0.70 0.49 3.13 1.08 -1.07 0.68 117.51 122.78 1ls8 h ILE 122 Ca 0.08 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.53 1ls8 h ILE 122 Cb 0.08 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1ls8 h ILE 122 CO -0.01 0.00 -0.24 0.45 -0.69 0.00 0.00 178.15 177.66 1ls8 h HIS 123 N 0.00 -0.61 -0.60 1.37 3.86 -0.57 -1.50 115.15 117.09 1ls8 h HIS 123 Ca 0.01 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1ls8 h HIS 123 Cb 0.06 0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 1ls8 h HIS 123 CO 0.00 -0.38 0.31 1.57 0.86 0.00 0.00 177.93 180.29 1ls8 h LYS 124 N -1.09 0.84 0.00 2.45 5.09 -1.15 -1.85 116.57 120.86 1ls8 h LYS 124 Ca -0.07 -0.10 0.00 0.00 0.09 0.00 0.00 60.65 60.58 1ls8 h LYS 124 Cb 0.51 -0.17 0.00 0.00 0.10 0.00 0.00 32.23 32.67 1ls8 h LYS 124 CO 0.11 0.64 0.00 -0.07 -2.09 0.00 0.00 179.45 178.04 1ls8 h LEU 125 N 0.85 0.00 0.70 7.07 3.38 -0.88 -3.47 115.31 122.96 1ls8 h LEU 125 Ca 0.21 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 1ls8 h LEU 125 Cb 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ls8 h LEU 125 CO -0.03 0.00 -0.17 -3.20 0.09 0.00 0.00 178.44 175.13 1ls8 n ASN 126 N -2.74 -2.58 -1.63 -0.43 5.15 -0.70 -4.98 115.26 107.36 1ls8 n ASN 126 Ca -0.00 -0.02 -0.16 0.00 -0.60 0.00 0.00 54.58 53.80 1ls8 n ASN 126 Cb 0.19 -1.84 0.09 0.00 -0.53 0.00 0.00 39.78 37.70 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 -3.92 1.98 -2.72 1.20 8.01 -0.64 -4.60 117.44 116.74 1ls8 n TRP 127 Ca -0.07 -2.06 -0.08 0.00 -1.31 0.00 0.00 57.50 53.98 1ls8 n TRP 127 Cb 0.55 -0.46 0.09 0.00 -2.01 0.00 0.00 31.31 29.47 1ls8 n TRP 127 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1ls8 n ALA 128 N -0.88 -1.34 -0.14 6.99 0.00 -1.26 -4.97 120.51 118.91 1ls8 n ALA 128 Ca 0.39 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1ls8 n ALA 128 Cb 0.89 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1ls8 n ALA 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ls8 n PRO 129 N 0.67 0.00 0.00 0.00 -0.04 -1.26 -4.97 135.00 129.39 1ls8 n PRO 129 Ca 0.05 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1ls8 n PRO 129 Cb 0.70 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1ls8 n PRO 129 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ls8 n SER 130 N -1.79 0.00 0.25 3.54 7.64 -1.26 -5.03 113.62 116.97 1ls8 n SER 130 Ca 0.00 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.98 1ls8 n SER 130 Cb 0.00 0.30 0.66 0.00 -1.01 0.00 0.00 64.21 64.16 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 0.00 0.00 -4.79 1.43 1.85 -2.04 -3.34 114.93 108.03 1ls8 h MET 131 Ca 0.00 0.00 -0.69 0.00 -0.61 0.00 0.00 59.70 58.40 1ls8 h MET 131 Cb 0.00 0.00 -0.19 0.00 0.43 0.00 0.00 31.60 31.84 1ls8 h MET 131 CO 0.00 0.12 0.17 -0.51 -0.40 0.00 0.00 176.91 176.29 1ls8 s ASP 132 N -6.56 6.18 -0.57 1.39 1.01 -1.26 -4.98 116.67 111.89 1ls8 s ASP 132 Ca -0.04 -1.36 0.04 0.00 0.71 0.00 0.00 52.55 51.90 1ls8 s ASP 132 Cb 0.15 -2.32 0.15 0.00 1.01 0.00 0.00 42.92 41.91 1ls8 s ASP 132 CO 0.63 -1.15 0.36 0.54 0.21 0.00 0.00 175.17 175.75 1ls8 s VAL 133 N 2.87 2.23 0.00 -1.27 0.11 -1.26 -4.94 120.40 118.14 1ls8 s VAL 133 Ca 0.13 -3.48 0.00 0.00 -2.93 0.00 0.00 61.98 55.70 1ls8 s VAL 133 Cb -0.23 -2.51 0.00 0.00 -1.53 0.00 0.00 36.38 32.11 1ls8 s VAL 133 CO 0.07 -0.95 0.00 0.00 -3.33 0.00 0.00 175.10 170.89 1ls8 n ALA 134 N 2.72 0.00 -2.76 1.54 0.00 -1.26 -4.67 120.51 116.07 1ls8 n ALA 134 Ca 0.14 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.10 1ls8 n ALA 134 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.32 4.27 0.00 0.00 1.01 -1.26 -3.57 120.40 120.53 1ls8 s VAL 135 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1ls8 s VAL 135 Cb 0.00 -4.85 0.00 0.00 0.00 0.00 0.00 36.38 31.53 1ls8 s VAL 135 CO 0.00 -1.66 0.00 0.61 0.00 0.00 0.00 175.10 174.05 1ls8 n GLY 136 N 5.82 0.00 7.00 4.51 0.00 -1.26 -4.51 105.19 116.74 1ls8 n GLY 136 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ls8 n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ls8 n GLU 137 N 0.00 0.00 0.06 1.61 -0.58 -1.23 -4.18 120.64 116.32 1ls8 n GLU 137 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ls8 n GLU 137 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1ls8 n GLU 137 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1ls8 n ILE 138 N -0.19 0.50 -2.94 -3.67 2.08 -1.26 -4.99 119.36 108.90 1ls8 n ILE 138 Ca 0.00 0.17 -0.00 0.00 0.56 0.00 0.00 62.75 63.47 1ls8 n ILE 138 Cb 0.00 -0.97 -0.00 0.00 -0.75 0.00 0.00 39.64 37.92 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 -3.18 -5.88 -4.61 1.39 -0.00 -1.26 -4.91 117.00 98.55 1ls8 n LEU 139 Ca 0.00 1.00 -0.43 0.00 -0.00 0.00 0.00 56.01 56.58 1ls8 n LEU 139 Cb 0.00 -2.51 -0.02 0.00 -0.00 0.00 0.00 43.42 40.89 1ls8 n LEU 139 CO 0.00 -2.45 1.37 0.00 -0.00 0.00 0.00 177.39 176.31 1ls8 s ALA 140 N -1.26 3.08 -0.21 1.96 0.00 -1.26 -4.83 121.76 119.23 1ls8 s ALA 140 Ca -0.01 0.19 0.18 0.00 0.00 0.00 0.00 51.96 52.32 1ls8 s ALA 140 Cb 0.00 -3.93 0.42 0.00 0.00 0.00 0.00 23.12 19.61 1ls8 s ALA 140 CO 0.41 -2.29 1.23 -0.85 0.00 0.00 0.00 175.76 174.26 1ls8 n GLU 141 N 8.01 1.17 0.00 0.00 0.28 -1.26 -5.37 120.64 123.48 1ls8 n GLU 141 Ca 0.19 -2.37 0.05 0.00 -0.16 0.00 0.00 57.16 54.87 1ls8 n GLU 141 Cb 0.47 -0.57 0.29 0.00 1.43 0.00 0.00 31.44 33.06 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30