#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 0.20 0.01 4.33 -0.00 -2.00 -0.32 115.11 117.33 1ls8 h GLN 2 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.64 1ls8 h GLN 2 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.44 1ls8 h GLN 2 CO 0.00 0.13 -0.00 1.49 0.00 0.00 0.00 178.83 180.45 1ls8 h GLU 3 N 0.20 -0.01 -0.77 1.69 4.57 -1.99 -3.18 114.58 115.09 1ls8 h GLU 3 Ca 0.28 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.61 1ls8 h GLU 3 Cb 0.81 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.31 1ls8 h GLU 3 CO -0.05 0.84 0.30 0.28 -1.18 0.00 0.00 179.01 179.20 1ls8 h VAL 4 N -0.92 0.63 0.42 0.32 2.07 -1.79 0.24 116.25 117.21 1ls8 h VAL 4 Ca -0.00 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1ls8 h VAL 4 Cb 0.85 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1ls8 h VAL 4 CO 0.00 0.08 -0.35 0.24 0.02 0.00 0.00 177.57 177.56 1ls8 h MET 5 N 0.43 -0.75 -0.95 1.57 2.86 -1.19 0.08 114.93 116.99 1ls8 h MET 5 Ca 0.43 0.05 0.13 0.00 -2.06 0.00 0.00 59.70 58.24 1ls8 h MET 5 Cb 0.67 0.17 -0.09 0.00 0.06 0.00 0.00 31.60 32.41 1ls8 h MET 5 CO -0.42 -0.50 0.58 -0.22 1.06 0.00 0.00 176.91 177.41 1ls8 h LYS 6 N -0.78 0.87 0.00 1.72 3.64 -1.32 -2.43 116.57 118.27 1ls8 h LYS 6 Ca -0.04 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1ls8 h LYS 6 Cb 0.68 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1ls8 h LYS 6 CO -0.02 0.57 -0.08 -0.97 -2.27 0.00 0.00 179.45 176.68 1ls8 h ASN 7 N 0.89 0.00 0.74 4.20 -1.24 0.49 -1.33 115.58 119.33 1ls8 h ASN 7 Ca 0.48 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.49 1ls8 h ASN 7 Cb 0.52 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.57 1ls8 h ASN 7 CO -0.28 0.08 -0.70 0.18 -1.29 0.00 0.00 177.43 175.42 1ls8 n LEU 8 N -3.29 0.66 -0.49 0.34 4.77 -0.09 -4.59 117.00 114.32 1ls8 n LEU 8 Ca -0.01 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1ls8 n LEU 8 Cb 0.29 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ls8 n LEU 8 CO 0.28 -0.02 0.16 -1.20 -1.33 0.00 0.00 177.39 175.29 1ls8 n SER 9 N -2.03 0.64 0.08 -1.43 7.64 -0.50 -4.19 113.62 113.83 1ls8 n SER 9 Ca 0.03 -1.30 -0.03 0.00 1.01 0.00 0.00 58.87 58.58 1ls8 n SER 9 Cb 0.43 -0.32 -0.02 0.00 -1.01 0.00 0.00 64.21 63.29 1ls8 n SER 9 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1ls8 h LEU 10 N 0.35 -0.18 -2.08 -3.43 -0.00 -1.81 -3.14 115.31 105.02 1ls8 h LEU 10 Ca 0.00 0.01 0.10 0.00 -0.00 0.00 0.00 57.88 57.99 1ls8 h LEU 10 Cb 0.32 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.01 1ls8 h LEU 10 CO 0.00 -0.08 0.32 -0.55 -0.00 0.00 0.00 178.44 178.13 1ls8 h ASN 11 N -0.31 0.00 -0.73 -0.43 7.08 -1.98 -3.36 115.58 115.85 1ls8 h ASN 11 Ca -0.02 0.00 0.10 0.00 -3.08 0.00 0.00 56.30 53.29 1ls8 h ASN 11 Cb 0.16 0.00 -0.11 0.00 -2.08 0.00 0.00 38.32 36.30 1ls8 h ASN 11 CO 0.04 0.00 -0.34 0.33 -2.08 0.00 0.00 177.43 175.38 1ls8 n PHE 12 N -3.94 -0.11 -0.00 4.14 7.35 -1.19 -0.70 117.46 123.02 1ls8 n PHE 12 Ca 0.05 0.91 0.00 0.00 -0.76 0.00 0.00 57.45 57.65 1ls8 n PHE 12 Cb 0.49 -0.69 0.00 0.00 0.35 0.00 0.00 39.48 39.63 1ls8 n PHE 12 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1ls8 n GLY 13 N -1.28 1.13 0.30 7.13 0.00 -1.26 -4.68 105.19 106.53 1ls8 n GLY 13 Ca 0.05 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.01 1.61 3.64 -1.06 -0.33 116.57 120.43 1ls8 h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ls8 h LYS 14 Cb 0.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1ls8 h LYS 14 CO 0.00 0.02 -0.13 0.00 -2.27 0.00 0.00 179.45 177.08 1ls8 n ALA 15 N -2.13 2.82 -0.34 5.00 0.00 -1.21 -4.36 120.51 120.30 1ls8 n ALA 15 Ca -0.02 -0.44 0.05 0.00 0.00 0.00 0.00 53.44 53.04 1ls8 n ALA 15 Cb 0.18 -1.13 0.23 0.00 0.00 0.00 0.00 19.45 18.73 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 1.90 0.93 -1.00 0.00 5.85 -1.36 -1.12 115.31 120.51 1ls8 h LEU 16 Ca 0.00 0.02 0.20 0.00 0.84 0.00 0.00 57.88 58.94 1ls8 h LEU 16 Cb 0.52 -0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.27 1ls8 h LEU 16 CO 0.00 0.56 0.61 0.44 -0.34 0.00 0.00 178.44 179.71 1ls8 h ASP 17 N 1.03 0.77 0.18 1.25 3.32 -1.77 0.35 116.42 121.56 1ls8 h ASP 17 Ca 0.44 0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.58 1ls8 h ASP 17 Cb 0.32 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1ls8 h ASP 17 CO -0.19 0.25 -0.09 -0.33 -1.72 0.00 0.00 179.24 177.16 1ls8 h GLU 18 N 0.74 -0.23 -0.14 3.56 5.08 -1.51 -1.38 114.58 120.69 1ls8 h GLU 18 Ca 0.59 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.93 1ls8 h GLU 18 Cb 0.94 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1ls8 h GLU 18 CO -0.40 0.18 -0.09 0.00 -1.00 0.00 0.00 179.01 177.70 1ls8 h LYS 20 N 0.21 0.99 0.53 0.00 1.57 -0.25 -0.01 116.57 119.61 1ls8 h LYS 20 Ca 0.05 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1ls8 h LYS 20 Cb 0.30 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.47 1ls8 h LYS 20 CO 0.02 0.88 -0.26 -0.22 -0.57 0.00 0.00 179.45 179.30 1ls8 h LYS 21 N 0.95 -0.69 -0.74 3.15 1.63 -0.36 -0.76 116.57 119.75 1ls8 h LYS 21 Ca 0.20 0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 60.05 1ls8 h LYS 21 Cb 0.33 0.16 -0.04 0.00 -0.60 0.00 0.00 32.23 32.08 1ls8 h LYS 21 CO -0.00 -0.46 0.45 0.93 -3.45 0.00 0.00 179.45 176.92 1ls8 h GLU 22 N -0.74 1.00 -0.00 1.90 5.08 -0.17 -0.35 114.58 121.29 1ls8 h GLU 22 Ca -0.07 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1ls8 h GLU 22 Cb 0.55 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1ls8 h GLU 22 CO 0.12 0.70 -0.31 -1.33 -1.00 0.00 0.00 179.01 177.19 1ls8 n MET 23 N -4.52 0.48 -3.49 2.33 2.81 -0.07 -4.99 117.12 109.67 1ls8 n MET 23 Ca 0.07 -0.26 -0.17 0.00 -1.81 0.00 0.00 57.70 55.52 1ls8 n MET 23 Cb 0.05 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.08 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 -1.03 -6.61 -1.95 2.03 -1.04 -0.14 -5.04 114.28 100.50 1ls8 n THR 24 Ca 0.10 -0.37 -0.18 0.00 -2.04 0.00 0.00 64.05 61.56 1ls8 n THR 24 Cb 0.33 -4.83 0.11 0.00 -1.82 0.00 0.00 70.33 64.13 1ls8 n THR 24 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1ls8 n LEU 25 N -2.74 0.00 -4.88 -4.42 4.77 -0.32 -5.03 117.00 104.38 1ls8 n LEU 25 Ca -0.14 -1.14 -0.28 0.00 -0.03 0.00 0.00 56.01 54.42 1ls8 n LEU 25 Cb 0.59 -0.58 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1ls8 n LEU 25 CO 0.61 -1.01 -0.00 0.42 -1.33 0.00 0.00 177.39 176.08 1ls8 s THR 26 N -2.56 1.51 -1.71 -5.08 -4.23 -1.26 -4.86 115.64 97.45 1ls8 s THR 26 Ca 0.48 -1.59 0.25 0.00 -1.18 0.00 0.00 61.69 59.65 1ls8 s THR 26 Cb -0.02 -2.10 0.15 0.00 1.34 0.00 0.00 72.50 71.88 1ls8 s THR 26 CO 0.33 0.00 1.40 -0.67 -0.54 0.00 0.00 174.62 175.14 1ls8 n ASP 27 N -1.69 1.22 0.28 3.99 2.03 -1.26 -4.27 116.55 116.85 1ls8 n ASP 27 Ca -0.05 -0.99 0.14 0.00 0.52 0.00 0.00 54.79 54.41 1ls8 n ASP 27 Cb 0.65 0.28 0.81 0.00 -0.72 0.00 0.00 41.12 42.13 1ls8 n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ls8 h ALA 28 N 3.63 1.28 0.00 -1.67 0.00 -2.02 0.88 119.26 121.37 1ls8 h ALA 28 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1ls8 h ALA 28 Cb 0.57 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ls8 h ALA 28 CO 0.00 0.10 -0.12 -0.84 0.00 0.00 0.00 179.25 178.39 1ls8 h ILE 29 N 0.00 0.95 -0.72 0.00 3.07 -1.95 -2.12 117.51 116.75 1ls8 h ILE 29 Ca -0.00 -0.43 0.00 0.00 1.55 0.00 0.00 64.86 65.98 1ls8 h ILE 29 Cb 0.25 1.24 -0.04 0.00 -0.27 0.00 0.00 36.82 38.01 1ls8 h ILE 29 CO 0.01 0.12 0.45 -1.13 -1.05 0.00 0.00 178.15 176.55 1ls8 h ASN 30 N 0.00 0.84 0.35 2.16 -1.24 -1.11 0.09 115.58 116.67 1ls8 h ASN 30 Ca -0.00 -0.03 -0.04 0.00 0.71 0.00 0.00 56.30 56.93 1ls8 h ASN 30 Cb 0.23 -0.21 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 1ls8 h ASN 30 CO 0.02 0.63 -0.21 -0.33 -1.29 0.00 0.00 177.43 176.24 1ls8 h GLU 31 N 0.98 0.00 0.05 6.67 4.39 -1.45 -2.56 114.58 122.65 1ls8 h GLU 31 Ca 0.26 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.96 1ls8 h GLU 31 Cb -0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1ls8 h GLU 31 CO -0.05 0.21 -0.02 -0.44 -1.16 0.00 0.00 179.01 177.55 1ls8 h ASP 32 N 0.00 -0.05 0.10 1.42 3.32 -1.36 -3.40 116.42 116.44 1ls8 h ASP 32 Ca -0.00 -0.54 -0.02 0.00 0.02 0.00 0.00 57.03 56.49 1ls8 h ASP 32 Cb 0.44 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.01 1ls8 h ASP 32 CO 0.03 0.67 -0.09 -0.26 -1.72 0.00 0.00 179.24 177.87 1ls8 h PHE 33 N -0.95 0.00 0.16 4.55 0.04 -0.72 -1.43 116.94 118.60 1ls8 h PHE 33 Ca -0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1ls8 h PHE 33 Cb 0.59 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 1ls8 h PHE 33 CO 0.15 0.09 -0.29 1.88 -0.60 0.00 0.00 178.31 179.54 1ls8 h TYR 34 N 0.00 -0.82 -1.64 -0.55 -1.99 -1.62 -3.08 116.97 107.27 1ls8 h TYR 34 Ca -0.00 0.01 -0.27 0.00 2.00 0.00 0.00 58.73 60.47 1ls8 h TYR 34 Cb 0.16 0.34 -0.27 0.00 2.00 0.00 0.00 36.73 38.96 1ls8 h TYR 34 CO 0.00 -0.35 -0.61 1.21 -0.00 0.00 0.00 178.16 178.41 1ls8 s ASN 35 N -3.55 0.30 0.07 3.88 2.47 -0.60 -3.91 114.94 113.59 1ls8 s ASN 35 Ca -0.09 -1.34 -0.21 0.00 0.42 0.00 0.00 52.86 51.64 1ls8 s ASN 35 Cb 0.03 1.01 -0.08 0.00 -1.45 0.00 0.00 41.25 40.76 1ls8 s ASN 35 CO 0.33 -0.23 1.34 -0.26 -3.72 0.00 0.00 177.10 174.56 1ls8 h PHE 36 N 7.02 -0.99 -1.07 0.43 -1.00 -1.63 -3.47 116.94 116.23 1ls8 h PHE 36 Ca 0.05 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1ls8 h PHE 36 Cb 1.09 0.44 0.00 0.00 3.61 0.00 0.00 35.95 41.09 1ls8 h PHE 36 CO 0.27 -0.34 0.00 1.87 -1.61 0.00 0.00 178.31 178.49 1ls8 n TRP 37 N -4.33 -1.17 -2.21 -0.55 -0.00 -1.26 -4.99 117.44 102.92 1ls8 n TRP 37 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 1ls8 n TRP 37 Cb 0.24 0.18 0.00 0.00 -0.00 0.00 0.00 31.31 31.73 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 -0.63 -4.35 -0.24 5.87 4.01 -1.26 -4.67 118.16 116.88 1ls8 n LYS 38 Ca 0.00 3.13 0.18 0.00 -0.51 0.00 0.00 58.31 61.11 1ls8 n LYS 38 Cb 0.00 -3.86 0.34 0.00 -0.51 0.00 0.00 35.03 31.01 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 1.89 -0.05 -0.00 1.97 0.28 -1.26 -2.72 120.64 120.75 1ls8 n GLU 39 Ca 0.00 1.05 0.00 0.00 -0.16 0.00 0.00 57.16 58.05 1ls8 n GLU 39 Cb 0.00 -1.79 -0.01 0.00 1.43 0.00 0.00 31.44 31.07 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 -1.26 -0.07 0.98 -1.84 0.00 -1.26 -4.92 105.19 96.81 1ls8 n GLY 40 Ca 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.75 -0.09 -2.46 1.61 9.36 -1.10 -4.79 117.16 117.94 1ls8 n TYR 41 Ca -0.01 0.04 -0.39 0.00 3.32 0.00 0.00 57.90 60.86 1ls8 n TYR 41 Cb 0.24 -0.16 -0.03 0.00 -0.63 0.00 0.00 39.34 38.76 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 -0.18 3.48 0.02 2.98 2.12 -1.26 -4.94 118.70 120.91 1ls8 s GLU 42 Ca 0.01 -1.24 -0.30 0.00 0.36 0.00 0.00 54.97 53.80 1ls8 s GLU 42 Cb -0.00 -5.36 -0.08 0.00 0.26 0.00 0.00 34.13 28.95 1ls8 s GLU 42 CO 0.03 -2.51 1.95 0.42 -0.54 0.00 0.00 175.26 174.62 1ls8 s ILE 43 N 5.91 3.06 0.08 -3.70 1.01 -1.26 -4.88 121.20 121.42 1ls8 s ILE 43 Ca 0.53 0.08 -0.19 0.00 0.00 0.00 0.00 60.65 61.07 1ls8 s ILE 43 Cb 0.00 -3.05 -0.09 0.00 0.01 0.00 0.00 42.46 39.33 1ls8 s ILE 43 CO -0.02 -0.01 1.50 0.50 0.00 0.00 0.00 174.94 176.91 1ls8 h LYS 44 N 10.71 0.40 -7.53 2.79 3.64 -2.03 -3.46 116.57 121.09 1ls8 h LYS 44 Ca -0.48 -0.13 -0.46 0.00 -1.27 0.00 0.00 60.65 58.30 1ls8 h LYS 44 Cb 1.23 -0.03 0.11 0.00 -0.41 0.00 0.00 32.23 33.12 1ls8 h LYS 44 CO 0.94 0.60 0.34 -0.80 -2.27 0.00 0.00 179.45 178.26 1ls8 s ASN 45 N -5.92 4.29 0.00 4.20 -0.87 -1.26 -5.04 114.94 110.34 1ls8 s ASN 45 Ca -0.14 0.50 0.00 0.00 -1.57 0.00 0.00 52.86 51.65 1ls8 s ASN 45 Cb 0.07 -0.94 0.00 0.00 -0.02 0.00 0.00 41.25 40.36 1ls8 s ASN 45 CO 0.74 -1.99 0.00 -2.11 -2.57 0.00 0.00 177.10 171.18 1ls8 n ARG 46 N -3.26 1.92 0.27 -0.60 1.85 -1.26 -4.74 116.66 110.83 1ls8 n ARG 46 Ca 0.10 0.00 0.18 0.00 -1.00 0.00 0.00 57.85 57.13 1ls8 n ARG 46 Cb 0.60 -0.94 0.85 0.00 -1.05 0.00 0.00 32.46 31.92 1ls8 n ARG 46 CO 0.00 0.00 0.00 0.93 -0.01 0.00 0.00 177.63 178.55 1ls8 h GLU 47 N 0.00 0.00 0.25 2.89 5.08 -1.96 -3.11 114.58 117.73 1ls8 h GLU 47 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ls8 h GLU 47 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1ls8 h GLU 47 CO 0.00 0.00 -0.21 1.15 -1.00 0.00 0.00 179.01 178.95 1ls8 h THR 48 N 0.00 0.00 0.00 1.13 2.02 -1.93 -0.37 112.91 113.76 1ls8 h THR 48 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1ls8 h THR 48 Cb 0.24 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 1ls8 h THR 48 CO 0.00 0.00 -0.39 1.23 0.37 0.00 0.00 175.52 176.73 1ls8 h GLY 49 N -0.45 0.00 1.19 2.16 0.00 -1.79 -0.47 103.07 103.71 1ls8 h GLY 49 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1ls8 h GLY 49 CO -0.01 0.00 0.07 0.00 0.00 0.00 0.00 176.54 176.61 1ls8 h ALA 51 N 1.14 -0.02 -0.35 0.00 0.00 -0.16 -2.73 119.26 117.14 1ls8 h ALA 51 Ca 0.18 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1ls8 h ALA 51 Cb 0.44 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1ls8 h ALA 51 CO 0.01 -0.47 0.10 0.82 0.00 0.00 0.00 179.25 179.71 1ls8 h ILE 52 N -0.10 0.86 -0.65 0.00 2.04 -0.48 0.29 117.51 119.48 1ls8 h ILE 52 Ca -0.00 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.79 1ls8 h ILE 52 Cb 0.09 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 36.75 1ls8 h ILE 52 CO 0.00 0.04 0.43 -0.03 0.00 0.00 0.00 178.15 178.60 1ls8 h MET 53 N 0.23 0.86 0.00 2.37 4.05 -1.20 -0.06 114.93 121.18 1ls8 h MET 53 Ca 0.16 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.50 1ls8 h MET 53 Cb 0.16 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 30.76 1ls8 h MET 53 CO -0.19 0.57 -0.14 0.00 0.23 0.00 0.00 176.91 177.38 1ls8 h LEU 55 N 0.00 -0.43 -1.07 0.00 3.38 0.98 -3.12 115.31 115.05 1ls8 h LEU 55 Ca -0.00 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.05 1ls8 h LEU 55 Cb 0.31 0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.11 1ls8 h LEU 55 CO 0.02 -0.07 0.62 0.28 0.09 0.00 0.00 178.44 179.39 1ls8 h SER 56 N -1.00 0.98 0.11 -0.43 0.02 -0.88 0.18 113.55 112.53 1ls8 h SER 56 Ca -0.05 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1ls8 h SER 56 Cb 0.39 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1ls8 h SER 56 CO 0.09 0.62 -0.10 0.00 -1.14 0.00 0.00 176.83 176.30 1ls8 h THR 57 N 1.11 0.77 -0.08 -2.27 1.03 -1.23 -0.80 112.91 111.44 1ls8 h THR 57 Ca 0.42 0.00 -0.06 0.00 -0.01 0.00 0.00 66.41 66.76 1ls8 h THR 57 Cb 0.19 0.77 -0.01 0.00 -1.07 0.00 0.00 68.15 68.03 1ls8 h THR 57 CO -0.16 0.00 -0.23 0.50 -0.01 0.00 0.00 175.52 175.62 1ls8 h LYS 58 N -0.23 0.14 -0.67 0.00 1.63 -1.32 -1.70 116.57 114.42 1ls8 h LYS 58 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1ls8 h LYS 58 Cb 0.22 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1ls8 h LYS 58 CO -0.02 0.36 0.00 1.28 -3.45 0.00 0.00 179.45 177.62 1ls8 n LEU 59 N -4.22 2.24 -3.74 5.20 4.77 0.55 -4.89 117.00 116.92 1ls8 n LEU 59 Ca -0.01 -1.13 -0.24 0.00 -0.03 0.00 0.00 56.01 54.60 1ls8 n LEU 59 Cb 0.32 -0.44 0.02 0.00 -2.33 0.00 0.00 43.42 40.99 1ls8 n LEU 59 CO 0.38 0.37 -0.11 -0.46 -1.33 0.00 0.00 177.39 176.24 1ls8 n ASN 60 N 0.23 -2.11 -0.00 -1.43 0.23 -0.64 -4.82 115.26 106.72 1ls8 n ASN 60 Ca 0.09 -0.90 0.00 0.00 -0.53 0.00 0.00 54.58 53.24 1ls8 n ASN 60 Cb 0.46 -3.72 -0.00 0.00 -2.08 0.00 0.00 39.78 34.44 1ls8 n ASN 60 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 1ls8 n MET 61 N -4.23 2.58 -4.24 -3.83 1.56 -0.36 -4.44 117.12 104.16 1ls8 n MET 61 Ca -0.25 -0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 56.88 1ls8 n MET 61 Cb 0.66 -0.82 -0.10 0.00 2.15 0.00 0.00 33.22 35.11 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 -2.64 3.04 0.72 -0.89 1.43 -1.25 -3.34 118.68 115.75 1ls8 s LEU 62 Ca -0.00 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 1ls8 s LEU 62 Cb 0.00 -1.83 0.06 0.00 0.03 0.00 0.00 46.19 44.45 1ls8 s LEU 62 CO 0.01 0.18 1.05 1.51 0.23 0.00 0.00 176.35 179.34 1ls8 s ASP 63 N -2.18 4.83 -0.21 2.29 -4.77 -0.59 -4.86 116.67 111.19 1ls8 s ASP 63 Ca 0.21 0.60 -0.02 0.00 -3.30 0.00 0.00 52.55 50.04 1ls8 s ASP 63 Cb -0.11 -1.24 0.04 0.00 -1.09 0.00 0.00 42.92 40.51 1ls8 s ASP 63 CO 0.13 -1.62 2.48 -0.81 0.70 0.00 0.00 175.17 176.05 1ls8 n PRO 64 N -3.01 1.78 0.00 2.11 -0.04 -1.26 -2.01 135.00 132.58 1ls8 n PRO 64 Ca 0.08 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1ls8 n PRO 64 Cb 0.60 -1.66 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 1.14 0.00 0.00 0.54 1.02 -1.26 -5.09 120.64 116.99 1ls8 n GLU 65 Ca 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1ls8 n GLU 65 Cb 0.62 -0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.91 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 1.48 0.88 2.73 0.62 0.00 -0.85 -5.06 105.19 104.99 1ls8 n GLY 66 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1ls8 n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ls8 n ASN 67 N 0.00 5.82 -0.21 1.61 3.02 -1.26 -4.94 115.26 119.30 1ls8 n ASN 67 Ca 0.00 -3.74 0.00 0.00 -0.03 0.00 0.00 54.58 50.81 1ls8 n ASN 67 Cb 0.00 -0.76 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 1ls8 n ASN 67 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1ls8 n LEU 68 N -0.36 0.00 -3.50 3.41 -0.00 -1.26 -4.87 117.00 110.42 1ls8 n LEU 68 Ca 0.42 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.44 1ls8 n LEU 68 Cb 0.42 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.80 1ls8 n LEU 68 CO 0.41 -0.57 0.45 -2.28 -0.00 0.00 0.00 177.39 175.40 1ls8 s HIS 69 N 0.00 -0.99 0.04 1.96 5.65 -1.21 -1.54 115.29 119.20 1ls8 s HIS 69 Ca 0.00 1.68 -0.08 0.00 0.25 0.00 0.00 55.06 56.91 1ls8 s HIS 69 Cb 0.00 0.58 -0.02 0.00 -1.18 0.00 0.00 32.58 31.96 1ls8 s HIS 69 CO 0.00 -0.49 1.14 1.12 -0.65 0.00 0.00 174.74 175.86 1ls8 h HIS 70 N 7.74 -0.48 -0.26 3.88 2.07 -1.89 -0.07 115.15 126.14 1ls8 h HIS 70 Ca -0.17 0.03 -0.18 0.00 -2.85 0.00 0.00 60.37 57.20 1ls8 h HIS 70 Cb 1.11 0.24 -0.00 0.00 2.57 0.00 0.00 27.41 31.33 1ls8 h HIS 70 CO 0.18 -0.11 -0.55 0.78 -3.07 0.00 0.00 177.93 175.16 1ls8 h GLY 71 N -0.04 0.87 0.94 6.13 0.00 -1.98 -1.56 103.07 107.43 1ls8 h GLY 71 Ca 0.03 -1.01 -0.01 0.00 0.00 0.00 0.00 47.33 46.34 1ls8 h GLY 71 CO -0.21 0.91 0.16 -0.57 0.00 0.00 0.00 176.54 176.83 1ls8 h ASN 72 N 0.61 0.44 -0.54 0.19 -0.00 -1.82 0.84 115.58 115.29 1ls8 h ASN 72 Ca 0.01 -0.12 -0.09 0.00 -0.00 0.00 0.00 56.30 56.11 1ls8 h ASN 72 Cb 1.14 -0.11 -0.02 0.00 -0.00 0.00 0.00 38.32 39.33 1ls8 h ASN 72 CO 0.12 0.43 0.01 0.00 -0.00 0.00 0.00 177.43 177.99 1ls8 h ALA 73 N 1.02 0.73 -0.40 1.57 0.00 -1.03 -2.32 119.26 118.83 1ls8 h ALA 73 Ca 0.12 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1ls8 h ALA 73 Cb 0.11 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1ls8 h ALA 73 CO -0.02 0.55 -0.05 1.98 0.00 0.00 0.00 179.25 181.71 1ls8 h MET 74 N 0.83 0.05 -0.67 0.00 1.85 -0.80 -2.14 114.93 114.04 1ls8 h MET 74 Ca 0.15 -0.00 -0.07 0.00 -0.61 0.00 0.00 59.70 59.17 1ls8 h MET 74 Cb 0.53 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.52 1ls8 h MET 74 CO 0.03 0.03 0.14 0.93 -0.40 0.00 0.00 176.91 177.64 1ls8 h GLU 75 N 0.05 1.08 -0.84 0.39 5.08 -0.55 0.28 114.58 120.07 1ls8 h GLU 75 Ca 0.20 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1ls8 h GLU 75 Cb 0.29 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.36 1ls8 h GLU 75 CO -0.37 0.96 0.55 0.35 -1.00 0.00 0.00 179.01 179.50 1ls8 h PHE 76 N 1.02 1.02 0.12 4.33 3.04 -1.16 -3.14 116.94 122.16 1ls8 h PHE 76 Ca 0.21 0.02 -0.29 0.00 3.98 0.00 0.00 57.97 61.90 1ls8 h PHE 76 Cb 0.39 -0.34 -0.00 0.00 2.56 0.00 0.00 35.95 38.55 1ls8 h PHE 76 CO 0.03 0.61 -1.37 0.00 -2.02 0.00 0.00 178.31 175.56 1ls8 h ALA 77 N 1.50 0.18 0.00 2.41 0.00 -0.61 -3.34 119.26 119.41 1ls8 h ALA 77 Ca 0.32 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1ls8 h ALA 77 Cb -0.02 0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ls8 h ALA 77 CO -0.09 1.06 0.00 1.57 0.00 0.00 0.00 179.25 181.79 1ls8 h LYS 78 N 0.07 0.00 -0.90 0.00 5.09 -0.44 -2.90 116.57 117.49 1ls8 h LYS 78 Ca -0.18 0.00 0.12 0.00 0.09 0.00 0.00 60.65 60.68 1ls8 h LYS 78 Cb 1.99 0.00 -0.13 0.00 0.10 0.00 0.00 32.23 34.19 1ls8 h LYS 78 CO 0.18 0.00 -0.42 1.63 -2.09 0.00 0.00 179.45 178.75 1ls8 n LYS 79 N -2.56 -0.29 -0.31 0.07 4.01 -1.24 -1.40 118.16 116.44 1ls8 n LYS 79 Ca 0.00 1.37 0.08 0.00 -0.51 0.00 0.00 58.31 59.26 1ls8 n LYS 79 Cb 0.17 -2.03 0.25 0.00 -0.51 0.00 0.00 35.03 32.91 1ls8 n LYS 79 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1ls8 n HIS 80 N -5.24 0.80 -2.10 2.13 8.25 -1.11 -5.00 115.22 112.95 1ls8 n HIS 80 Ca 0.06 -0.53 -0.01 0.00 -0.26 0.00 0.00 57.72 56.98 1ls8 n HIS 80 Cb 0.31 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.37 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 0.95 -0.50 3.74 -1.41 0.00 -0.50 -4.94 105.19 102.53 1ls8 n GLY 81 Ca 0.19 0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.03 2.03 0.49 4.61 0.00 -1.14 -4.68 121.76 120.05 1ls8 s ALA 82 Ca 0.03 0.38 -0.08 0.00 0.00 0.00 0.00 51.96 52.29 1ls8 s ALA 82 Cb -0.00 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1ls8 s ALA 82 CO 0.28 -2.05 0.84 0.34 0.00 0.00 0.00 175.76 175.17 1ls8 s ASP 83 N -3.13 6.34 0.29 0.00 -1.08 -1.26 -4.73 116.67 113.09 1ls8 s ASP 83 Ca 0.63 1.11 0.25 0.00 -0.52 0.00 0.00 52.55 54.02 1ls8 s ASP 83 Cb -0.19 -2.32 0.69 0.00 -1.46 0.00 0.00 42.92 39.63 1ls8 s ASP 83 CO 0.56 -0.59 1.73 1.05 0.52 0.00 0.00 175.17 178.43 1ls8 h GLU 84 N 0.40 0.00 0.00 4.34 4.11 -1.99 -0.89 114.58 120.55 1ls8 h GLU 84 Ca -0.46 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 58.63 1ls8 h GLU 84 Cb 1.20 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.38 1ls8 h GLU 84 CO 0.62 0.00 -2.28 2.41 0.07 0.00 0.00 179.01 179.83 1ls8 n THR 85 N -2.54 1.29 -0.04 -1.06 -1.04 -1.26 -3.49 114.28 106.14 1ls8 n THR 85 Ca 0.05 -0.61 -0.12 0.00 -2.04 0.00 0.00 64.05 61.32 1ls8 n THR 85 Cb 0.45 -0.98 -0.07 0.00 -1.82 0.00 0.00 70.33 67.91 1ls8 n THR 85 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1ls8 h MET 86 N 0.00 0.22 -0.78 -2.82 1.85 -1.94 0.15 114.93 111.61 1ls8 h MET 86 Ca -0.50 -0.08 -0.02 0.00 -0.61 0.00 0.00 59.70 58.48 1ls8 h MET 86 Cb 1.93 -0.02 -0.04 0.00 0.43 0.00 0.00 31.60 33.91 1ls8 h MET 86 CO -0.04 0.50 0.39 0.00 -0.40 0.00 0.00 176.91 177.37 1ls8 h ALA 87 N 0.71 1.00 0.06 0.39 0.00 -1.38 -1.43 119.26 118.61 1ls8 h ALA 87 Ca 0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ls8 h ALA 87 Cb 0.41 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ls8 h ALA 87 CO 0.01 0.55 -0.03 0.37 0.00 0.00 0.00 179.25 180.15 1ls8 h GLN 88 N 1.09 -0.08 -0.75 0.00 -0.00 -1.57 -3.03 115.11 110.76 1ls8 h GLN 88 Ca 0.27 0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.95 1ls8 h GLN 88 Cb 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 27.48 27.55 1ls8 h GLN 88 CO -0.04 0.24 0.49 1.96 0.00 0.00 0.00 178.83 181.49 1ls8 h GLN 89 N -0.41 0.94 0.00 1.69 1.08 -0.56 -1.65 115.11 116.20 1ls8 h GLN 89 Ca -0.01 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1ls8 h GLN 89 Cb 0.36 -0.21 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1ls8 h GLN 89 CO 0.01 0.62 0.00 1.28 -0.95 0.00 0.00 178.83 179.80 1ls8 n LEU 90 N -4.60 0.52 -0.00 1.46 4.32 -0.55 -0.11 117.00 118.03 1ls8 n LEU 90 Ca 0.08 0.67 -0.01 0.00 -0.02 0.00 0.00 56.01 56.72 1ls8 n LEU 90 Cb 0.06 -0.64 -0.01 0.00 -1.62 0.00 0.00 43.42 41.21 1ls8 n LEU 90 CO 0.34 -0.64 0.04 0.40 -1.22 0.00 0.00 177.39 176.31 1ls8 h ILE 91 N 0.00 0.00 0.00 -0.08 2.04 -1.20 -3.39 117.51 114.88 1ls8 h ILE 91 Ca 0.00 -0.63 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 1ls8 h ILE 91 Cb 0.22 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1ls8 h ILE 91 CO 0.00 0.00 -0.26 -0.78 0.00 0.00 0.00 178.15 177.11 1ls8 h ASP 92 N -0.71 0.00 -0.55 1.72 3.58 -0.69 -1.30 116.42 118.47 1ls8 h ASP 92 Ca -0.01 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.48 1ls8 h ASP 92 Cb 0.06 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.07 1ls8 h ASP 92 CO 0.01 0.26 0.31 0.40 -2.88 0.00 0.00 179.24 177.35 1ls8 h ILE 93 N 0.00 1.02 -0.33 2.25 2.04 -0.77 0.10 117.51 121.82 1ls8 h ILE 93 Ca -0.00 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1ls8 h ILE 93 Cb 0.61 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1ls8 h ILE 93 CO 0.03 0.11 0.19 0.58 0.00 0.00 0.00 178.15 179.07 1ls8 h VAL 94 N 0.61 1.13 -0.18 1.67 2.07 -1.43 -0.86 116.25 119.25 1ls8 h VAL 94 Ca 0.23 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.47 1ls8 h VAL 94 Cb 0.08 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1ls8 h VAL 94 CO -0.13 0.13 -0.01 -0.74 0.02 0.00 0.00 177.57 176.84 1ls8 h HIS 95 N 0.42 -0.03 -0.79 1.57 -0.00 -1.37 0.92 115.15 115.87 1ls8 h HIS 95 Ca 0.12 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.47 1ls8 h HIS 95 Cb 0.04 0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.45 1ls8 h HIS 95 CO -0.03 -0.04 0.39 0.78 -0.00 0.00 0.00 177.93 179.03 1ls8 h GLY 96 N 0.04 1.22 0.56 5.26 0.00 -0.43 0.10 103.07 109.81 1ls8 h GLY 96 Ca 0.08 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1ls8 h GLY 96 CO -0.15 0.57 -0.01 0.00 0.00 0.00 0.00 176.54 176.94 1ls8 h GLU 98 N -0.42 0.00 -0.11 0.00 5.08 -0.58 0.33 114.58 118.89 1ls8 h GLU 98 Ca 0.00 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1ls8 h GLU 98 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1ls8 h GLU 98 CO 0.00 0.04 -0.63 -0.22 -1.00 0.00 0.00 179.01 177.21 1ls8 h LYS 99 N 0.00 0.38 0.00 2.33 3.11 -0.79 -3.26 116.57 118.34 1ls8 h LYS 99 Ca -0.00 -0.27 0.00 0.00 -2.81 0.00 0.00 60.65 57.57 1ls8 h LYS 99 Cb 0.08 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.35 1ls8 h LYS 99 CO 0.01 0.89 -1.20 0.43 -2.81 0.00 0.00 179.45 176.76 1ls8 n SER 100 N -3.89 0.60 -4.58 4.20 7.64 -0.57 -4.79 113.62 112.23 1ls8 n SER 100 Ca -0.03 -0.39 -0.42 0.00 1.01 0.00 0.00 58.87 59.03 1ls8 n SER 100 Cb 0.64 1.08 -0.02 0.00 -1.01 0.00 0.00 64.21 64.90 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 -3.20 3.96 0.70 0.44 2.01 0.11 -5.05 115.64 114.60 1ls8 s THR 101 Ca 0.03 0.87 -0.12 0.00 0.31 0.00 0.00 61.69 62.78 1ls8 s THR 101 Cb 0.15 -4.59 0.17 0.00 0.01 0.00 0.00 72.50 68.24 1ls8 s THR 101 CO 0.84 -1.22 0.60 -0.81 -0.69 0.00 0.00 174.62 173.34 1ls8 n PRO 102 N 8.43 -2.34 -2.12 4.92 -0.05 -1.26 -4.86 135.00 137.71 1ls8 n PRO 102 Ca 0.11 -0.96 -0.35 0.00 -0.05 0.00 0.00 63.50 62.25 1ls8 n PRO 102 Cb 0.49 -0.93 0.02 0.00 -0.05 0.00 0.00 33.50 33.03 1ls8 n PRO 102 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1ls8 s ALA 103 N -2.92 2.62 0.08 0.55 0.00 -1.26 -4.96 121.76 115.88 1ls8 s ALA 103 Ca 0.39 0.79 0.05 0.00 0.00 0.00 0.00 51.96 53.20 1ls8 s ALA 103 Cb -0.04 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.68 1ls8 s ALA 103 CO 0.30 -0.93 -0.15 1.21 0.00 0.00 0.00 175.76 176.20 1ls8 s ASN 104 N -1.92 1.80 0.58 0.00 3.84 -1.26 -5.03 114.94 112.95 1ls8 s ASN 104 Ca 0.72 -0.65 0.27 0.00 0.21 0.00 0.00 52.86 53.42 1ls8 s ASN 104 Cb -0.24 -0.06 1.59 0.00 -0.55 0.00 0.00 41.25 41.99 1ls8 s ASN 104 CO 0.31 -0.07 2.08 -0.78 -2.79 0.00 0.00 177.10 175.85 1ls8 h ASP 105 N 4.16 0.00 -3.73 -4.21 1.82 -2.03 -3.38 116.42 109.05 1ls8 h ASP 105 Ca -0.41 0.00 -0.68 0.00 -0.39 0.00 0.00 57.03 55.54 1ls8 h ASP 105 Cb 1.19 0.00 -0.33 0.00 0.68 0.00 0.00 39.33 40.87 1ls8 h ASP 105 CO 0.42 0.00 -0.68 -0.62 -1.61 0.00 0.00 179.24 176.75 1ls8 s ASP 106 N -5.90 4.94 0.54 2.28 -1.08 -1.26 -4.99 116.67 111.20 1ls8 s ASP 106 Ca -0.05 -1.40 0.23 0.00 -0.52 0.00 0.00 52.55 50.82 1ls8 s ASP 106 Cb 0.16 -1.73 1.41 0.00 -1.46 0.00 0.00 42.92 41.30 1ls8 s ASP 106 CO 0.58 -0.30 2.06 0.50 0.52 0.00 0.00 175.17 178.53 1ls8 h LYS 107 N 8.00 0.00 -0.15 4.34 1.63 -2.00 -1.85 116.57 126.54 1ls8 h LYS 107 Ca -0.19 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.53 1ls8 h LYS 107 Cb 1.06 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.69 1ls8 h LYS 107 CO 0.55 0.00 -0.18 0.00 -3.45 0.00 0.00 179.45 176.37 1ls8 h ILE 109 N 0.00 1.06 -0.34 0.00 5.03 -1.64 0.12 117.51 121.73 1ls8 h ILE 109 Ca 0.02 -0.29 0.05 0.00 -0.12 0.00 0.00 64.86 64.52 1ls8 h ILE 109 Cb 0.73 0.14 -0.05 0.00 -3.03 0.00 0.00 36.82 34.62 1ls8 h ILE 109 CO 0.04 0.15 0.07 -0.25 -0.68 0.00 0.00 178.15 177.49 1ls8 h TRP 110 N 0.85 0.11 0.19 1.37 7.01 -1.29 -1.83 115.95 122.36 1ls8 h TRP 110 Ca 0.30 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.31 1ls8 h TRP 110 Cb 0.08 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.14 1ls8 h TRP 110 CO -0.05 0.02 -0.09 1.15 -2.79 0.00 0.00 178.44 176.68 1ls8 h THR 111 N 0.19 0.87 -0.94 2.65 2.02 -0.69 -3.03 112.91 113.97 1ls8 h THR 111 Ca 0.16 -0.26 0.26 0.00 0.77 0.00 0.00 66.41 67.34 1ls8 h THR 111 Cb 0.18 1.03 -0.14 0.00 -1.74 0.00 0.00 68.15 67.48 1ls8 h THR 111 CO -0.21 0.06 0.44 -0.07 0.37 0.00 0.00 175.52 176.10 1ls8 h LEU 112 N -0.38 0.34 0.04 2.58 4.07 -0.36 0.38 115.31 121.97 1ls8 h LEU 112 Ca -0.03 0.18 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 1ls8 h LEU 112 Cb 0.30 0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.20 1ls8 h LEU 112 CO 0.04 -0.08 -0.02 1.23 -1.08 0.00 0.00 178.44 178.53 1ls8 h GLY 113 N 0.34 -0.05 0.40 0.83 0.00 -1.32 -0.42 103.07 102.85 1ls8 h GLY 113 Ca 0.63 0.02 0.14 0.00 0.00 0.00 0.00 47.33 48.12 1ls8 h GLY 113 CO -0.59 -0.02 0.62 -2.08 0.00 0.00 0.00 176.54 174.48 1ls8 h VAL 114 N -0.47 0.86 0.00 4.60 2.07 -1.14 0.90 116.25 123.07 1ls8 h VAL 114 Ca -0.01 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 1ls8 h VAL 114 Cb 0.44 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1ls8 h VAL 114 CO 0.01 0.17 -0.22 0.00 0.02 0.00 0.00 177.57 177.54 1ls8 h ALA 115 N 1.57 0.97 0.05 1.67 0.00 -0.17 -0.05 119.26 123.30 1ls8 h ALA 115 Ca 0.51 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 55.05 1ls8 h ALA 115 Cb 0.60 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1ls8 h ALA 115 CO -0.28 0.28 -0.88 1.79 0.00 0.00 0.00 179.25 180.16 1ls8 h THR 116 N 0.00 1.28 -0.95 0.00 1.35 0.36 -3.34 112.91 111.60 1ls8 h THR 116 Ca -0.00 -2.33 0.17 0.00 -0.55 0.00 0.00 66.41 63.69 1ls8 h THR 116 Cb 0.84 2.82 -0.08 0.00 -1.73 0.00 0.00 68.15 70.00 1ls8 h THR 116 CO 0.03 0.56 0.60 0.00 -0.25 0.00 0.00 175.52 176.46 1ls8 h PHE 118 N 0.72 -1.16 -0.01 0.00 3.57 -1.15 0.04 116.94 118.96 1ls8 h PHE 118 Ca 0.50 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.94 1ls8 h PHE 118 Cb 0.82 0.52 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 1ls8 h PHE 118 CO -0.00 -0.48 -0.48 0.87 -2.23 0.00 0.00 178.31 175.99 1ls8 h LYS 119 N -0.52 0.02 -0.40 1.11 1.57 -1.39 -2.07 116.57 114.89 1ls8 h LYS 119 Ca 0.06 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1ls8 h LYS 119 Cb 0.63 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1ls8 h LYS 119 CO -0.35 0.49 0.18 0.00 -0.57 0.00 0.00 179.45 179.20 1ls8 h ALA 120 N 1.50 0.52 -0.88 3.86 0.00 -0.86 -2.12 119.26 121.29 1ls8 h ALA 120 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1ls8 h ALA 120 Cb 0.85 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1ls8 h ALA 120 CO 0.06 0.11 0.45 0.93 0.00 0.00 0.00 179.25 180.80 1ls8 h GLU 121 N 0.51 1.24 0.00 0.00 4.39 -0.68 -0.94 114.58 119.10 1ls8 h GLU 121 Ca 0.14 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 1ls8 h GLU 121 Cb 0.15 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1ls8 h GLU 121 CO -0.01 0.93 -0.02 0.82 -1.16 0.00 0.00 179.01 179.57 1ls8 h ILE 122 N 1.24 0.84 0.00 3.13 1.08 -1.08 0.11 117.51 122.82 1ls8 h ILE 122 Ca 0.30 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.72 1ls8 h ILE 122 Cb 0.07 1.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.85 1ls8 h ILE 122 CO -0.04 0.02 -0.00 -0.74 -0.69 0.00 0.00 178.15 176.69 1ls8 h HIS 123 N 0.00 -0.00 0.00 1.37 2.76 -0.56 -1.56 115.15 117.15 1ls8 h HIS 123 Ca -0.00 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1ls8 h HIS 123 Cb 0.03 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.99 1ls8 h HIS 123 CO 0.00 0.93 -0.17 1.57 -1.30 0.00 0.00 177.93 178.96 1ls8 h LYS 124 N -0.96 0.00 0.00 5.26 5.09 -1.04 0.17 116.57 125.10 1ls8 h LYS 124 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1ls8 h LYS 124 Cb 0.93 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.26 1ls8 h LYS 124 CO 0.00 0.17 0.00 1.28 -2.09 0.00 0.00 179.45 178.81 1ls8 n LEU 125 N -3.42 0.12 -0.72 7.07 4.77 0.36 -4.90 117.00 120.28 1ls8 n LEU 125 Ca -0.00 0.53 -0.09 0.00 -0.03 0.00 0.00 56.01 56.41 1ls8 n LEU 125 Cb 0.35 -0.51 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 1ls8 n LEU 125 CO 0.31 -0.31 -0.09 -3.20 -1.33 0.00 0.00 177.39 172.77 1ls8 n ASN 126 N -1.63 -4.98 -1.59 -1.43 5.15 0.05 -4.90 115.26 105.94 1ls8 n ASN 126 Ca 0.03 0.23 -0.08 0.00 -0.60 0.00 0.00 54.58 54.16 1ls8 n ASN 126 Cb 0.18 -3.30 0.03 0.00 -0.53 0.00 0.00 39.78 36.15 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 0.79 -3.65 1.20 8.01 -0.60 -4.76 117.44 115.98 1ls8 n TRP 127 Ca -0.09 -1.31 -0.07 0.00 -1.31 0.00 0.00 57.50 54.71 1ls8 n TRP 127 Cb 0.45 -0.65 -0.08 0.00 -2.01 0.00 0.00 31.31 29.03 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 -0.91 -1.75 0.00 6.99 0.00 -1.26 -4.94 121.76 119.89 1ls8 s ALA 128 Ca 0.16 2.28 0.00 0.00 0.00 0.00 0.00 51.96 54.40 1ls8 s ALA 128 Cb 0.12 -1.36 0.00 0.00 0.00 0.00 0.00 23.12 21.89 1ls8 s ALA 128 CO 0.01 -0.38 0.00 -0.35 0.00 0.00 0.00 175.76 175.04 1ls8 n PRO 129 N 4.34 0.00 0.00 0.00 -0.04 -1.26 -5.01 135.00 133.03 1ls8 n PRO 129 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1ls8 n PRO 129 Cb 0.58 -0.05 0.00 0.00 -0.04 0.00 0.00 33.50 33.99 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 0.00 0.00 0.09 3.54 7.64 -1.26 -4.95 113.62 118.68 1ls8 n SER 130 Ca 0.00 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.82 1ls8 n SER 130 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1ls8 n SER 130 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1ls8 h MET 131 N 0.00 0.20 -6.14 1.43 2.86 -2.04 -3.48 114.93 107.76 1ls8 h MET 131 Ca 0.00 -0.17 -0.27 0.00 -2.06 0.00 0.00 59.70 57.20 1ls8 h MET 131 Cb 0.00 0.04 -0.08 0.00 0.06 0.00 0.00 31.60 31.62 1ls8 h MET 131 CO 0.00 0.84 -0.42 -0.25 1.06 0.00 0.00 176.91 178.14 1ls8 n ASP 132 N -3.76 0.02 -4.67 1.22 8.00 -1.26 -4.93 116.55 111.17 1ls8 n ASP 132 Ca -0.03 -0.55 -0.43 0.00 0.71 0.00 0.00 54.79 54.49 1ls8 n ASP 132 Cb 0.71 -0.68 -0.02 0.00 -0.02 0.00 0.00 41.12 41.10 1ls8 n ASP 132 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ls8 s VAL 133 N -3.74 4.35 -0.17 2.53 0.11 -1.26 -4.55 120.40 117.67 1ls8 s VAL 133 Ca 0.04 1.64 -0.21 0.00 -2.93 0.00 0.00 61.98 60.52 1ls8 s VAL 133 Cb -0.02 -4.06 -0.19 0.00 -1.53 0.00 0.00 36.38 30.59 1ls8 s VAL 133 CO 0.43 -0.10 0.35 0.00 -3.33 0.00 0.00 175.10 172.45 1ls8 h ALA 134 N 7.87 0.13 -2.57 1.54 0.00 -1.73 -3.50 119.26 120.99 1ls8 h ALA 134 Ca -0.28 -0.81 -0.04 0.00 0.00 0.00 0.00 54.91 53.79 1ls8 h ALA 134 Cb 1.11 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 1ls8 h ALA 134 CO 0.94 0.39 0.01 1.55 0.00 0.00 0.00 179.25 182.14 1ls8 n VAL 135 N -4.54 0.00 -3.36 0.00 3.14 -1.16 -4.98 118.33 107.42 1ls8 n VAL 135 Ca -0.20 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 60.87 1ls8 n VAL 135 Cb 0.52 0.23 0.00 0.00 -1.06 0.00 0.00 33.84 33.53 1ls8 n VAL 135 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1ls8 n GLY 136 N -0.12 2.31 0.00 7.55 0.00 -1.26 -4.11 105.19 109.55 1ls8 n GLY 136 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 13.39 0.00 0.01 1.61 0.28 -1.26 -5.03 120.64 129.64 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 0.46 -1.57 3.84 2.08 -1.26 -4.56 119.36 118.34 1ls8 n ILE 138 Ca 0.00 0.18 0.00 0.00 0.56 0.00 0.00 62.75 63.49 1ls8 n ILE 138 Cb 0.00 -1.30 0.00 0.00 -0.75 0.00 0.00 39.64 37.59 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 -2.91 -5.37 0.00 1.39 7.94 -1.26 -5.02 117.00 111.77 1ls8 n LEU 139 Ca -0.01 2.78 0.00 0.00 -1.11 0.00 0.00 56.01 57.67 1ls8 n LEU 139 Cb 0.03 -2.54 0.00 0.00 0.53 0.00 0.00 43.42 41.44 1ls8 n LEU 139 CO 0.01 -0.44 0.00 0.00 -1.11 0.00 0.00 177.39 175.85 1ls8 n ALA 140 N 0.22 0.00 -2.11 1.96 0.00 -1.26 -4.66 120.51 114.65 1ls8 n ALA 140 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1ls8 n ALA 140 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 -1.39 -1.88 0.00 0.00 0.28 -1.26 -5.31 120.64 111.08 1ls8 n GLU 141 Ca 0.00 0.71 0.09 0.00 -0.16 0.00 0.00 57.16 57.80 1ls8 n GLU 141 Cb 0.00 -5.21 0.54 0.00 1.43 0.00 0.00 31.44 28.21 1ls8 n GLU 141 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30