#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lf8 h LEU 9 N 0.00 -0.12 -0.02 2.46 3.38 -1.97 0.12 115.31 119.16 1lf8 h LEU 9 Ca 0.00 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.05 1lf8 h LEU 9 Cb 0.00 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1lf8 h LEU 9 CO 0.00 -0.03 -0.16 -0.33 0.09 0.00 0.00 178.44 178.01 1lf8 h GLU 10 N 0.05 -0.24 -0.38 1.13 3.07 -1.99 -1.35 114.58 114.88 1lf8 h GLU 10 Ca 0.11 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 59.06 1lf8 h GLU 10 Cb 0.14 0.06 -0.07 0.00 -0.84 0.00 0.00 28.75 28.04 1lf8 h GLU 10 CO -0.20 -0.16 -0.06 1.03 -1.40 0.00 0.00 179.01 178.22 1lf8 h SER 11 N -0.25 -0.29 -0.45 1.42 0.87 -1.82 0.70 113.55 113.73 1lf8 h SER 11 Ca 0.06 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.73 1lf8 h SER 11 Cb 0.33 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 1lf8 h SER 11 CO -0.17 -0.10 0.28 -0.50 -0.53 0.00 0.00 176.83 175.82 1lf8 h TRP 12 N 0.03 0.53 -0.64 2.24 4.06 -0.52 -2.74 115.95 118.90 1lf8 h TRP 12 Ca 0.18 0.01 -0.08 0.00 2.06 0.00 0.00 58.89 61.06 1lf8 h TRP 12 Cb 0.27 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 28.23 1lf8 h TRP 12 CO -0.31 0.32 0.08 1.25 -3.56 0.00 0.00 178.44 176.22 1lf8 h LEU 13 N 0.57 1.05 -1.36 -4.49 5.85 -0.43 -0.67 115.31 115.83 1lf8 h LEU 13 Ca 0.17 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 1lf8 h LEU 13 Cb -0.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 1lf8 h LEU 13 CO -0.06 1.06 -0.06 0.78 -0.34 0.00 0.00 178.44 179.82 1lf8 h ASN 14 N 1.00 0.33 0.36 1.25 2.35 -0.76 0.05 115.58 120.15 1lf8 h ASN 14 Ca 0.19 -0.06 -0.26 0.00 -0.55 0.00 0.00 56.30 55.62 1lf8 h ASN 14 Cb 0.47 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.77 1lf8 h ASN 14 CO 0.02 0.44 -1.12 0.11 -1.65 0.00 0.00 177.43 175.22 1lf8 h LYS 15 N 0.34 0.44 0.00 0.81 1.57 -1.24 -1.76 116.57 116.73 1lf8 h LYS 15 Ca 0.07 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1lf8 h LYS 15 Cb 0.33 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1lf8 h LYS 15 CO 0.01 1.22 0.00 0.00 -0.57 0.00 0.00 179.45 180.12 1lf8 n ALA 16 N -2.58 2.07 -0.54 3.86 0.00 -0.28 -3.52 120.51 119.51 1lf8 n ALA 16 Ca -0.09 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1lf8 n ALA 16 Cb 0.94 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 19.00 1lf8 n ALA 16 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1lf8 n THR 17 N -1.60 0.41 -1.69 0.00 -2.24 -0.05 -4.77 114.28 104.34 1lf8 n THR 17 Ca 0.05 -0.43 -0.51 0.00 -2.27 0.00 0.00 64.05 60.89 1lf8 n THR 17 Cb 0.28 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.31 1lf8 n THR 17 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1lf8 n ASN 18 N -0.20 3.16 0.16 3.42 4.05 -0.66 -4.42 115.26 120.76 1lf8 n ASN 18 Ca 0.00 1.00 0.09 0.00 0.45 0.00 0.00 54.58 56.12 1lf8 n ASN 18 Cb 0.36 -1.31 0.48 0.00 1.23 0.00 0.00 39.78 40.54 1lf8 n ASN 18 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1lf8 n PRO 19 N 6.28 0.12 0.00 1.20 -0.02 -1.26 -1.10 135.00 140.22 1lf8 n PRO 19 Ca 0.24 0.60 0.11 0.00 -2.02 0.00 0.00 63.50 62.43 1lf8 n PRO 19 Cb 0.25 -2.00 0.09 0.00 -0.02 0.00 0.00 33.50 31.82 1lf8 n PRO 19 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1lf8 n SER 20 N -2.15 0.86 -4.62 2.55 3.41 -1.26 -4.87 113.62 107.55 1lf8 n SER 20 Ca -0.01 -0.71 -0.49 0.00 -0.26 0.00 0.00 58.87 57.41 1lf8 n SER 20 Cb 0.15 0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 64.61 1lf8 n SER 20 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1lf8 n ASN 21 N -1.31 2.08 0.19 4.04 3.02 -0.26 -4.84 115.26 118.19 1lf8 n ASN 21 Ca 0.06 1.12 0.06 0.00 -0.03 0.00 0.00 54.58 55.78 1lf8 n ASN 21 Cb 0.34 -1.29 0.37 0.00 -0.61 0.00 0.00 39.78 38.60 1lf8 n ASN 21 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 1lf8 h ARG 22 N 4.51 0.00 -2.46 3.52 0.11 -1.92 -3.46 114.38 114.68 1lf8 h ARG 22 Ca -0.45 0.00 0.13 0.00 0.10 0.00 0.00 59.98 59.76 1lf8 h ARG 22 Cb 1.31 0.00 -0.10 0.00 1.11 0.00 0.00 29.97 32.29 1lf8 h ARG 22 CO 0.78 0.36 0.43 1.14 0.10 0.00 0.00 179.97 182.78 1lf8 s GLN 23 N -3.76 1.20 0.23 0.08 -2.07 -1.26 -5.14 119.66 108.94 1lf8 s GLN 23 Ca -0.01 -0.61 -0.32 0.00 -1.82 0.00 0.00 55.36 52.61 1lf8 s GLN 23 Cb 0.12 0.44 -0.13 0.00 -1.09 0.00 0.00 33.01 32.35 1lf8 s GLN 23 CO 0.68 -0.54 1.50 0.39 -1.32 0.00 0.00 175.29 176.01 1lf8 n GLU 24 N -0.41 2.25 -3.67 9.60 1.02 -1.26 -4.94 120.64 123.23 1lf8 n GLU 24 Ca -0.07 0.80 -0.37 0.00 -0.02 0.00 0.00 57.16 57.50 1lf8 n GLU 24 Cb 0.61 -2.52 -0.08 0.00 -0.02 0.00 0.00 31.44 29.42 1lf8 n GLU 24 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1lf8 s ASP 25 N 0.51 5.47 0.42 1.62 1.01 -1.26 -4.94 116.67 119.50 1lf8 s ASP 25 Ca 0.70 -2.97 0.24 0.00 0.71 0.00 0.00 52.55 51.23 1lf8 s ASP 25 Cb -0.61 -1.90 1.31 0.00 1.01 0.00 0.00 42.92 42.73 1lf8 s ASP 25 CO 0.46 -0.36 1.71 -0.50 0.21 0.00 0.00 175.17 176.69 1lf8 h TRP 26 N 6.94 0.00 -0.58 4.23 4.06 -1.97 -0.82 115.95 127.81 1lf8 h TRP 26 Ca 0.02 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.87 1lf8 h TRP 26 Cb 0.94 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 1lf8 h TRP 26 CO 0.75 0.00 -0.02 1.49 -3.56 0.00 0.00 178.44 177.10 1lf8 h GLU 27 N 0.00 1.03 0.14 0.49 4.81 -1.99 -1.34 114.58 117.72 1lf8 h GLU 27 Ca 0.00 -0.33 -0.28 0.00 -0.13 0.00 0.00 59.36 58.62 1lf8 h GLU 27 Cb 0.23 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.53 1lf8 h GLU 27 CO 0.00 1.02 -1.26 1.88 -0.73 0.00 0.00 179.01 179.92 1lf8 h TYR 28 N 0.94 0.56 0.23 0.92 0.05 -1.51 -1.81 116.97 116.35 1lf8 h TYR 28 Ca 0.16 -0.40 -0.01 0.00 0.05 0.00 0.00 58.73 58.53 1lf8 h TYR 28 Cb 0.57 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.29 1lf8 h TYR 28 CO 0.04 1.31 -0.11 0.82 -1.05 0.00 0.00 178.16 179.17 1lf8 h ILE 29 N 0.09 0.78 -0.51 -2.88 2.04 -1.42 -0.42 117.51 115.19 1lf8 h ILE 29 Ca -0.15 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1lf8 h ILE 29 Cb 1.98 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 1lf8 h ILE 29 CO 0.21 0.01 0.27 0.40 0.00 0.00 0.00 178.15 179.05 1lf8 h ILE 30 N -0.33 1.18 -0.81 -0.67 1.08 -1.33 -2.05 117.51 114.57 1lf8 h ILE 30 Ca -0.03 -0.47 0.11 0.00 -0.39 0.00 0.00 64.86 64.08 1lf8 h ILE 30 Cb 0.26 0.55 -0.08 0.00 -3.07 0.00 0.00 36.82 34.48 1lf8 h ILE 30 CO 0.05 0.19 0.44 1.23 -0.69 0.00 0.00 178.15 179.38 1lf8 h GLY 31 N 0.68 1.28 0.96 5.37 0.00 -1.03 0.91 103.07 111.24 1lf8 h GLY 31 Ca 0.18 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1lf8 h GLY 31 CO -0.03 0.06 0.19 -2.75 0.00 0.00 0.00 176.54 174.01 1lf8 h PHE 32 N 0.70 0.67 -0.87 5.60 3.57 -0.67 -0.79 116.94 125.15 1lf8 h PHE 32 Ca 0.41 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 1lf8 h PHE 32 Cb 0.47 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1lf8 h PHE 32 CO -0.08 0.56 0.49 0.00 -2.23 0.00 0.00 178.31 177.06 1lf8 h ASP 34 N 1.21 1.04 0.08 0.00 3.32 -0.48 -2.55 116.42 119.05 1lf8 h ASP 34 Ca 0.31 -0.37 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1lf8 h ASP 34 Cb 0.00 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.27 1lf8 h ASP 34 CO -0.05 1.17 -0.04 -0.61 -1.72 0.00 0.00 179.24 177.99 1lf8 h GLN 35 N 0.89 -0.11 -0.53 3.56 5.75 -0.75 -2.14 115.11 121.78 1lf8 h GLN 35 Ca 0.13 0.01 0.11 0.00 -0.15 0.00 0.00 58.65 58.74 1lf8 h GLN 35 Cb 0.73 0.02 -0.10 0.00 1.07 0.00 0.00 27.48 29.20 1lf8 h GLN 35 CO 0.06 -0.06 -0.12 0.82 -2.65 0.00 0.00 178.83 176.88 1lf8 h ILE 36 N -0.13 0.48 0.00 2.39 2.04 -1.32 0.13 117.51 121.10 1lf8 h ILE 36 Ca -0.01 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 1lf8 h ILE 36 Cb 0.10 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1lf8 h ILE 36 CO 0.02 0.00 -0.03 0.78 0.00 0.00 0.00 178.15 178.92 1lf8 h ASN 37 N 0.01 0.00 0.38 1.72 2.35 -1.14 -2.01 115.58 116.89 1lf8 h ASN 37 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1lf8 h ASN 37 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1lf8 h ASN 37 CO -0.54 0.03 -0.49 0.29 -1.65 0.00 0.00 177.43 175.07 1lf8 n LYS 38 N -3.63 0.21 -4.72 0.81 5.02 0.38 -4.93 118.16 111.30 1lf8 n LYS 38 Ca -0.03 -0.13 -0.32 0.00 -2.02 0.00 0.00 58.31 55.81 1lf8 n LYS 38 Cb 0.13 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.52 1lf8 n LYS 38 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1lf8 s GLU 39 N -2.88 2.46 0.33 1.97 2.02 -0.74 -5.02 118.70 116.85 1lf8 s GLU 39 Ca 0.14 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.41 1lf8 s GLU 39 Cb 0.18 -2.40 0.56 0.00 0.10 0.00 0.00 34.13 32.57 1lf8 s GLU 39 CO 0.67 0.61 1.93 1.25 0.02 0.00 0.00 175.26 179.74 1lf8 h LEU 40 N 5.00 0.69 -2.86 1.80 5.85 -1.92 -2.10 115.31 121.77 1lf8 h LEU 40 Ca -0.47 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1lf8 h LEU 40 Cb 1.16 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1lf8 h LEU 40 CO 0.51 0.60 0.00 -0.62 -0.34 0.00 0.00 178.44 178.59 1lf8 n GLU 41 N -4.36 2.93 -0.11 1.25 -0.58 -1.26 -4.72 120.64 113.79 1lf8 n GLU 41 Ca 0.05 -2.54 -0.12 0.00 -0.42 0.00 0.00 57.16 54.12 1lf8 n GLU 41 Cb 0.14 -1.54 -0.08 0.00 -0.57 0.00 0.00 31.44 29.39 1lf8 n GLU 41 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 1lf8 h GLY 42 N 3.57 -0.83 0.47 0.62 0.00 -1.57 -1.74 103.07 103.59 1lf8 h GLY 42 Ca 0.00 0.64 0.03 0.00 0.00 0.00 0.00 47.33 47.99 1lf8 h GLY 42 CO 0.04 -0.16 -0.26 -2.55 0.00 0.00 0.00 176.54 173.61 1lf8 h PRO 43 N -0.41 -0.42 -0.32 4.80 0.11 -1.81 -1.07 132.00 132.89 1lf8 h PRO 43 Ca 0.09 0.03 0.04 0.00 0.11 0.00 0.00 66.00 66.27 1lf8 h PRO 43 Cb 0.61 0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.78 1lf8 h PRO 43 CO -0.56 -0.28 0.11 1.96 -0.21 0.00 0.00 178.00 179.02 1lf8 h GLN 44 N -0.44 0.24 -0.32 1.05 7.50 -1.88 -2.16 115.11 119.11 1lf8 h GLN 44 Ca 0.05 -0.01 -0.09 0.00 0.50 0.00 0.00 58.65 59.10 1lf8 h GLN 44 Cb 0.49 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.96 1lf8 h GLN 44 CO -0.19 0.16 -0.14 0.82 -1.50 0.00 0.00 178.83 177.97 1lf8 h ILE 45 N 0.24 1.29 0.02 2.54 2.04 -1.28 -3.18 117.51 119.18 1lf8 h ILE 45 Ca 0.14 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.78 1lf8 h ILE 45 Cb 0.11 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1lf8 h ILE 45 CO -0.15 0.40 -0.10 0.00 0.00 0.00 0.00 178.15 178.31 1lf8 h ALA 46 N 0.77 -0.12 -0.25 1.87 0.00 -1.00 -0.51 119.26 120.02 1lf8 h ALA 46 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1lf8 h ALA 46 Cb 0.67 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1lf8 h ALA 46 CO 0.04 -0.59 0.17 -0.39 0.00 0.00 0.00 179.25 178.48 1lf8 h VAL 47 N -0.17 1.03 -0.20 0.00 -1.51 -1.48 0.50 116.25 114.42 1lf8 h VAL 47 Ca 0.03 -0.09 -0.15 0.00 -1.23 0.00 0.00 66.70 65.26 1lf8 h VAL 47 Cb 0.21 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.10 1lf8 h VAL 47 CO -0.09 0.05 -0.47 0.03 -1.23 0.00 0.00 177.57 175.87 1lf8 h ARG 48 N 0.27 0.66 -0.04 5.19 3.08 -1.43 0.53 114.38 122.65 1lf8 h ARG 48 Ca 0.10 -0.45 -0.00 0.00 0.07 0.00 0.00 59.98 59.70 1lf8 h ARG 48 Cb 0.06 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1lf8 h ARG 48 CO -0.02 1.07 0.02 -0.07 -1.07 0.00 0.00 179.97 179.90 1lf8 h LEU 49 N 0.36 0.05 -0.43 3.04 4.07 0.40 -2.53 115.31 120.27 1lf8 h LEU 49 Ca -0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1lf8 h LEU 49 Cb 1.08 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.78 1lf8 h LEU 49 CO 0.10 0.14 0.24 -0.07 -1.08 0.00 0.00 178.44 177.77 1lf8 h LEU 50 N -0.04 0.54 -0.68 1.67 3.38 -0.06 -2.09 115.31 118.02 1lf8 h LEU 50 Ca 0.01 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.01 1lf8 h LEU 50 Cb 0.10 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.63 1lf8 h LEU 50 CO -0.00 0.47 0.27 0.00 0.09 0.00 0.00 178.44 179.27 1lf8 h ALA 51 N 1.09 0.92 -0.42 1.53 0.00 -0.79 0.22 119.26 121.81 1lf8 h ALA 51 Ca 0.15 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1lf8 h ALA 51 Cb 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1lf8 h ALA 51 CO -0.02 -0.17 0.17 1.25 0.00 0.00 0.00 179.25 180.47 1lf8 h HIS 52 N 0.45 0.63 -0.44 0.00 -0.00 -1.15 -2.97 115.15 111.67 1lf8 h HIS 52 Ca 0.35 -0.05 -0.08 0.00 -0.00 0.00 0.00 60.37 60.59 1lf8 h HIS 52 Cb 0.47 -0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.67 1lf8 h HIS 52 CO -0.16 0.55 -0.07 0.87 -0.00 0.00 0.00 177.93 179.13 1lf8 h LYS 53 N 0.53 0.77 0.00 5.26 1.79 -0.44 -2.81 116.57 121.67 1lf8 h LYS 53 Ca 0.14 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 1lf8 h LYS 53 Cb 0.19 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 30.76 1lf8 h LYS 53 CO -0.01 0.82 -0.07 0.82 -1.08 0.00 0.00 179.45 179.93 1lf8 h ILE 54 N 0.71 0.23 -0.51 1.86 2.04 -0.55 -2.40 117.51 118.88 1lf8 h ILE 54 Ca 0.13 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1lf8 h ILE 54 Cb 0.53 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1lf8 h ILE 54 CO 0.03 0.07 0.00 0.00 0.00 0.00 0.00 178.15 178.25 1lf8 n GLN 55 N -3.26 2.21 -2.08 2.37 6.02 -1.06 -4.78 117.38 116.80 1lf8 n GLN 55 Ca -0.00 -1.85 -0.41 0.00 -0.01 0.00 0.00 57.00 54.73 1lf8 n GLN 55 Cb 0.30 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.13 1lf8 n GLN 55 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1lf8 s SER 56 N -0.99 6.73 0.34 1.08 0.15 -0.90 -4.90 113.70 115.21 1lf8 s SER 56 Ca 0.34 2.69 0.27 0.00 0.70 0.00 0.00 55.95 59.95 1lf8 s SER 56 Cb 0.18 -2.64 1.01 0.00 -1.71 0.00 0.00 66.02 62.85 1lf8 s SER 56 CO 0.23 -0.59 1.79 -0.65 1.20 0.00 0.00 173.24 175.22 1lf8 h PRO 57 N 3.82 0.00 -5.71 5.44 0.11 -1.92 -3.39 132.00 130.35 1lf8 h PRO 57 Ca -0.48 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.01 1lf8 h PRO 57 Cb 1.22 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 1lf8 h PRO 57 CO 0.69 0.00 0.99 -0.65 -0.21 0.00 0.00 178.00 178.82 1lf8 s GLN 58 N -3.37 3.39 0.29 1.05 -0.21 -1.26 -4.92 119.66 114.62 1lf8 s GLN 58 Ca 0.05 -1.03 -0.05 0.00 0.02 0.00 0.00 55.36 54.35 1lf8 s GLN 58 Cb 0.09 -4.71 0.55 0.00 1.00 0.00 0.00 33.01 29.94 1lf8 s GLN 58 CO 0.49 -1.99 1.57 1.49 -2.12 0.00 0.00 175.29 174.73 1lf8 h GLU 59 N 9.54 0.01 0.00 2.91 4.81 -1.99 0.19 114.58 130.05 1lf8 h GLU 59 Ca -0.03 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1lf8 h GLU 59 Cb 1.04 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1lf8 h GLU 59 CO 1.25 0.00 -0.06 2.35 -0.73 0.00 0.00 179.01 181.83 1lf8 h TRP 60 N 0.01 0.00 0.13 0.92 -0.00 -1.92 0.27 115.95 115.35 1lf8 h TRP 60 Ca 0.51 0.00 -0.30 0.00 -0.00 0.00 0.00 58.89 59.10 1lf8 h TRP 60 Cb 0.90 0.00 0.03 0.00 -0.00 0.00 0.00 29.16 30.09 1lf8 h TRP 60 CO -0.64 0.06 -1.26 1.49 -0.00 0.00 0.00 178.44 178.09 1lf8 h GLU 61 N 0.00 0.63 -0.24 2.65 4.81 -0.84 -2.83 114.58 118.75 1lf8 h GLU 61 Ca -0.00 -0.85 -0.11 0.00 -0.13 0.00 0.00 59.36 58.27 1lf8 h GLU 61 Cb 0.20 0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.85 1lf8 h GLU 61 CO 0.01 1.39 -0.28 0.00 -0.73 0.00 0.00 179.01 179.39 1lf8 h ALA 62 N 0.27 0.36 -0.55 2.92 0.00 -0.99 -2.13 119.26 119.15 1lf8 h ALA 62 Ca -0.19 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.35 1lf8 h ALA 62 Cb 1.93 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 19.61 1lf8 h ALA 62 CO 0.24 0.37 0.31 -0.07 0.00 0.00 0.00 179.25 180.11 1lf8 h LEU 63 N 0.33 0.49 -1.12 0.00 4.07 -0.59 -1.14 115.31 117.35 1lf8 h LEU 63 Ca 0.03 0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.92 1lf8 h LEU 63 Cb 0.85 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.50 1lf8 h LEU 63 CO 0.07 0.34 -0.34 1.56 -1.08 0.00 0.00 178.44 178.99 1lf8 h GLN 64 N 0.61 0.17 -0.63 1.13 4.20 -1.49 -2.15 115.11 116.96 1lf8 h GLN 64 Ca 0.23 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.80 1lf8 h GLN 64 Cb 0.07 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1lf8 h GLN 64 CO -0.12 0.50 0.12 0.00 -0.67 0.00 0.00 178.83 178.66 1lf8 h ALA 65 N 1.50 1.03 -0.51 3.87 0.00 -0.57 -0.36 119.26 124.22 1lf8 h ALA 65 Ca 0.02 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 1lf8 h ALA 65 Cb 0.68 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1lf8 h ALA 65 CO 0.05 0.63 -0.11 -0.07 0.00 0.00 0.00 179.25 179.74 1lf8 h LEU 66 N 0.96 0.94 0.33 0.00 3.38 -0.86 0.18 115.31 120.24 1lf8 h LEU 66 Ca 0.20 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1lf8 h LEU 66 Cb 0.38 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1lf8 h LEU 66 CO 0.01 1.06 -0.18 0.74 0.09 0.00 0.00 178.44 180.16 1lf8 h THR 67 N 0.84 0.62 -0.51 0.22 2.02 -0.85 0.11 112.91 115.35 1lf8 h THR 67 Ca 0.13 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.39 1lf8 h THR 67 Cb 0.66 0.62 -0.07 0.00 -1.74 0.00 0.00 68.15 67.62 1lf8 h THR 67 CO 0.05 0.00 0.14 0.58 0.37 0.00 0.00 175.52 176.66 1lf8 h VAL 68 N -0.48 0.76 -0.52 3.16 2.07 -0.89 -0.65 116.25 119.69 1lf8 h VAL 68 Ca -0.04 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.44 1lf8 h VAL 68 Cb 0.39 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 1lf8 h VAL 68 CO 0.05 0.05 0.23 0.25 0.02 0.00 0.00 177.57 178.17 1lf8 h LEU 69 N 0.29 0.28 -0.57 2.57 5.85 -0.57 0.43 115.31 123.60 1lf8 h LEU 69 Ca 0.25 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.07 1lf8 h LEU 69 Cb 0.32 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1lf8 h LEU 69 CO -0.30 0.19 0.30 -0.08 -0.34 0.00 0.00 178.44 178.22 1lf8 h GLU 70 N 0.43 0.57 -0.55 1.25 4.81 0.37 -1.73 114.58 119.73 1lf8 h GLU 70 Ca 0.24 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 1lf8 h GLU 70 Cb 0.22 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1lf8 h GLU 70 CO -0.21 0.37 -0.03 0.00 -0.73 0.00 0.00 179.01 178.41 1lf8 h ALA 71 N 1.30 0.91 -0.73 2.92 0.00 -0.23 -2.76 119.26 120.67 1lf8 h ALA 71 Ca 0.25 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1lf8 h ALA 71 Cb 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1lf8 h ALA 71 CO -0.16 0.64 0.36 0.00 0.00 0.00 0.00 179.25 180.09 1lf8 h MET 73 N 1.03 0.25 0.00 0.00 2.07 -1.05 0.28 114.93 117.51 1lf8 h MET 73 Ca 0.25 -0.03 -0.20 0.00 -2.07 0.00 0.00 59.70 57.65 1lf8 h MET 73 Cb 0.08 -0.05 -0.03 0.00 -1.87 0.00 0.00 31.60 29.73 1lf8 h MET 73 CO -0.04 0.26 -1.21 0.87 1.07 0.00 0.00 176.91 177.86 1lf8 h LYS 74 N 0.25 0.00 0.00 1.72 1.79 -1.11 -3.40 116.57 115.82 1lf8 h LYS 74 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1lf8 h LYS 74 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1lf8 h LYS 74 CO -0.00 0.58 -0.72 0.09 -1.08 0.00 0.00 179.45 178.32 1lf8 n ASN 75 N -3.12 0.73 -0.76 0.86 3.02 0.47 -4.70 115.26 111.76 1lf8 n ASN 75 Ca -0.07 -0.77 0.06 0.00 -0.03 0.00 0.00 54.58 53.77 1lf8 n ASN 75 Cb 0.91 1.05 0.22 0.00 -0.61 0.00 0.00 39.78 41.34 1lf8 n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lf8 n GLY 77 N -0.89 -0.32 0.31 0.00 0.00 -1.26 -2.88 105.19 100.16 1lf8 n GLY 77 Ca 0.23 -0.33 0.08 0.00 0.00 0.00 0.00 46.02 46.00 1lf8 n GLY 77 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1lf8 h ARG 78 N 0.00 0.60 -0.86 1.61 2.43 -1.98 -1.59 114.38 114.59 1lf8 h ARG 78 Ca 0.00 -0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.29 1lf8 h ARG 78 Cb 0.02 -0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.37 1lf8 h ARG 78 CO 0.00 0.40 0.56 0.07 -1.51 0.00 0.00 179.97 179.49 1lf8 h ARG 79 N 0.62 0.55 0.08 0.20 0.11 -2.01 0.40 114.38 114.33 1lf8 h ARG 79 Ca 0.48 -0.03 -0.25 0.00 0.10 0.00 0.00 59.98 60.27 1lf8 h ARG 79 Cb 0.70 -0.12 -0.00 0.00 1.11 0.00 0.00 29.97 31.65 1lf8 h ARG 79 CO -0.38 0.36 -1.13 0.35 0.10 0.00 0.00 179.97 179.27 1lf8 h PHE 80 N 0.56 0.43 -0.55 4.08 3.57 -1.16 -3.26 116.94 120.62 1lf8 h PHE 80 Ca 0.44 -0.30 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 1lf8 h PHE 80 Cb 0.85 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 1lf8 h PHE 80 CO -0.00 1.20 0.01 0.45 -2.23 0.00 0.00 178.31 177.74 1lf8 h HIS 81 N 0.09 1.01 -0.02 0.41 3.86 -0.40 -2.25 115.15 117.84 1lf8 h HIS 81 Ca -0.10 -0.15 -0.04 0.00 -1.16 0.00 0.00 60.37 58.92 1lf8 h HIS 81 Cb 1.84 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 30.04 1lf8 h HIS 81 CO 0.05 0.90 -0.15 -0.91 0.86 0.00 0.00 177.93 178.68 1lf8 h ASN 82 N 0.87 0.03 0.26 2.45 -0.26 -0.38 0.90 115.58 119.45 1lf8 h ASN 82 Ca 0.16 -0.01 -0.31 0.00 -0.56 0.00 0.00 56.30 55.59 1lf8 h ASN 82 Cb 0.49 -0.01 0.03 0.00 -1.06 0.00 0.00 38.32 37.77 1lf8 h ASN 82 CO 0.02 0.19 -1.31 -0.33 -1.06 0.00 0.00 177.43 174.94 1lf8 h GLU 83 N 0.04 0.53 -0.24 0.81 4.39 -1.50 -3.21 114.58 115.40 1lf8 h GLU 83 Ca 0.01 -0.79 -0.07 0.00 0.34 0.00 0.00 59.36 58.84 1lf8 h GLU 83 Cb 0.29 0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 1lf8 h GLU 83 CO 0.02 1.36 -0.15 0.28 -1.16 0.00 0.00 179.01 179.36 1lf8 h VAL 84 N 0.20 1.22 0.00 3.13 2.07 -1.03 -2.89 116.25 118.95 1lf8 h VAL 84 Ca -0.20 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1lf8 h VAL 84 Cb 2.00 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1lf8 h VAL 84 CO 0.24 0.32 0.00 0.61 0.02 0.00 0.00 177.57 178.77 1lf8 n GLY 85 N -0.65 -0.19 3.65 2.17 0.00 0.27 -4.29 105.19 106.15 1lf8 n GLY 85 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1lf8 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lf8 s LYS 86 N -1.71 2.83 0.61 1.61 1.02 -1.09 -4.45 119.74 118.55 1lf8 s LYS 86 Ca 0.00 -0.53 0.32 0.00 0.02 0.00 0.00 55.97 55.78 1lf8 s LYS 86 Cb 0.00 -2.68 1.83 0.00 -0.52 0.00 0.00 37.83 36.46 1lf8 s LYS 86 CO 0.00 0.66 2.18 0.74 -0.92 0.00 0.00 175.35 178.02 1lf8 h PHE 87 N 4.93 0.00 -0.92 3.18 0.04 -1.90 0.20 116.94 122.47 1lf8 h PHE 87 Ca -0.50 0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.39 1lf8 h PHE 87 Cb 1.18 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.26 1lf8 h PHE 87 CO 0.60 0.00 0.59 -0.09 -0.60 0.00 0.00 178.31 178.81 1lf8 h ARG 88 N 0.00 0.84 0.04 1.51 2.43 -1.93 0.42 114.38 117.69 1lf8 h ARG 88 Ca 0.04 -0.05 -0.35 0.00 -0.81 0.00 0.00 59.98 58.80 1lf8 h ARG 88 Cb 0.26 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 1lf8 h ARG 88 CO -0.00 0.56 -2.00 0.34 -1.51 0.00 0.00 179.97 177.35 1lf8 n PHE 89 N -4.56 0.67 -0.10 2.20 7.35 0.46 -4.35 117.46 119.13 1lf8 n PHE 89 Ca 0.17 0.21 0.05 0.00 -0.76 0.00 0.00 57.45 57.11 1lf8 n PHE 89 Cb 0.36 -1.08 0.38 0.00 0.35 0.00 0.00 39.48 39.49 1lf8 n PHE 89 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1lf8 h LEU 90 N -0.48 0.59 -1.34 -2.13 3.38 -0.61 -1.24 115.31 113.47 1lf8 h LEU 90 Ca -0.50 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1lf8 h LEU 90 Cb 1.71 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 1lf8 h LEU 90 CO -0.14 0.40 0.20 0.78 0.09 0.00 0.00 178.44 179.77 1lf8 h ASN 91 N 0.68 0.59 0.36 -0.43 2.35 -0.38 -0.41 115.58 118.34 1lf8 h ASN 91 Ca 0.23 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1lf8 h ASN 91 Cb 0.08 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1lf8 h ASN 91 CO -0.06 0.52 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.79 1lf8 h GLU 92 N 0.65 0.00 0.17 0.81 4.39 -1.42 -1.21 114.58 117.98 1lf8 h GLU 92 Ca 0.16 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.52 1lf8 h GLU 92 Cb 0.11 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1lf8 h GLU 92 CO -0.02 0.12 -1.69 -0.07 -1.16 0.00 0.00 179.01 176.19 1lf8 h LEU 93 N 0.00 0.58 -1.48 1.33 3.38 -1.06 -3.24 115.31 114.82 1lf8 h LEU 93 Ca -0.00 -0.84 0.04 0.00 0.09 0.00 0.00 57.88 57.18 1lf8 h LEU 93 Cb 0.33 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1lf8 h LEU 93 CO 0.02 1.70 0.40 0.40 0.09 0.00 0.00 178.44 181.05 1lf8 h ILE 94 N 0.10 1.05 -0.14 1.22 2.04 -0.77 -0.35 117.51 120.66 1lf8 h ILE 94 Ca -0.32 -0.23 -0.06 0.00 1.00 0.00 0.00 64.86 65.26 1lf8 h ILE 94 Cb 2.09 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.48 1lf8 h ILE 94 CO 0.18 0.12 -0.17 0.11 0.00 0.00 0.00 178.15 178.39 1lf8 h LYS 95 N 0.66 0.23 0.00 2.37 1.57 -1.29 -0.64 116.57 119.46 1lf8 h LYS 95 Ca 0.25 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 1lf8 h LYS 95 Cb 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1lf8 h LYS 95 CO -0.07 0.41 -0.33 0.28 -0.57 0.00 0.00 179.45 179.17 1lf8 h VAL 96 N 0.22 0.84 0.00 0.50 2.07 -1.08 -2.54 116.25 116.25 1lf8 h VAL 96 Ca 0.04 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1lf8 h VAL 96 Cb 0.44 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1lf8 h VAL 96 CO 0.03 0.32 -1.25 1.33 0.02 0.00 0.00 177.57 178.02 1lf8 n VAL 97 N -3.58 0.00 -2.83 2.57 0.24 -0.95 -3.86 118.33 109.93 1lf8 n VAL 97 Ca -0.01 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.34 61.62 1lf8 n VAL 97 Cb 0.46 0.48 -0.05 0.00 -1.47 0.00 0.00 33.84 33.27 1lf8 n VAL 97 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1lf8 s SER 98 N -3.07 7.39 0.50 -1.34 0.01 -0.29 -4.60 113.70 112.30 1lf8 s SER 98 Ca -0.01 1.66 0.19 0.00 1.31 0.00 0.00 55.95 59.09 1lf8 s SER 98 Cb 0.09 -2.54 1.26 0.00 0.21 0.00 0.00 66.02 65.04 1lf8 s SER 98 CO 0.55 -0.04 2.09 -0.65 0.41 0.00 0.00 173.24 175.60 1lf8 h PRO 99 N 5.62 0.00 0.00 12.44 0.11 -1.90 0.37 132.00 148.64 1lf8 h PRO 99 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1lf8 h PRO 99 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1lf8 h PRO 99 CO 0.71 0.09 0.00 1.63 -0.21 0.00 0.00 178.00 180.22 1lf8 n LYS 100 N -4.24 0.17 0.00 1.05 4.76 -1.26 -4.16 118.16 114.47 1lf8 n LYS 100 Ca -0.03 0.56 0.00 0.00 -2.87 0.00 0.00 58.31 55.97 1lf8 n LYS 100 Cb 0.17 -1.94 0.00 0.00 -1.84 0.00 0.00 35.03 31.42 1lf8 n LYS 100 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1lf8 n TYR 101 N -2.27 0.00 0.22 2.13 4.02 -0.80 -4.98 117.16 115.47 1lf8 n TYR 101 Ca -0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.01 1lf8 n TYR 101 Cb 0.12 0.00 0.09 0.00 -0.02 0.00 0.00 39.34 39.52 1lf8 n TYR 101 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1lf8 h LEU 102 N 0.00 0.00 -0.51 7.72 3.38 -1.50 -3.41 115.31 120.99 1lf8 h LEU 102 Ca 0.00 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.00 1lf8 h LEU 102 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1lf8 h LEU 102 CO 0.00 0.01 -0.28 0.61 0.09 0.00 0.00 178.44 178.88 1lf8 n GLY 103 N 1.18 -1.26 0.27 0.83 0.00 0.12 0.13 105.19 106.46 1lf8 n GLY 103 Ca 0.02 0.60 0.18 0.00 0.00 0.00 0.00 46.02 46.82 1lf8 n GLY 103 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1lf8 h ASP 104 N 0.00 0.00 -0.32 1.61 3.32 -1.74 -2.74 116.42 116.54 1lf8 h ASP 104 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1lf8 h ASP 104 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1lf8 h ASP 104 CO -0.49 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.57 1lf8 n ARG 105 N -2.87 2.93 -4.87 3.56 1.74 0.35 -4.96 116.66 112.54 1lf8 n ARG 105 Ca -0.01 -2.38 -0.33 0.00 -0.77 0.00 0.00 57.85 54.36 1lf8 n ARG 105 Cb 0.17 -1.51 -0.14 0.00 -1.02 0.00 0.00 32.46 29.95 1lf8 n ARG 105 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1lf8 s VAL 106 N -1.73 2.91 0.68 1.55 1.01 -0.83 -4.98 120.40 119.01 1lf8 s VAL 106 Ca 0.31 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.40 1lf8 s VAL 106 Cb 0.21 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 1lf8 s VAL 106 CO 0.13 0.55 0.70 -1.54 0.00 0.00 0.00 175.10 174.94 1lf8 n SER 107 N 3.21 -0.46 0.20 3.32 3.41 -1.26 -4.81 113.62 117.23 1lf8 n SER 107 Ca -0.18 0.67 0.05 0.00 -0.26 0.00 0.00 58.87 59.15 1lf8 n SER 107 Cb 0.53 -1.28 0.42 0.00 -0.26 0.00 0.00 64.21 63.61 1lf8 n SER 107 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1lf8 h GLU 108 N -0.11 0.00 -0.27 4.33 4.57 -1.99 -2.35 114.58 118.76 1lf8 h GLU 108 Ca -0.46 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 57.68 1lf8 h GLU 108 Cb 1.36 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.94 1lf8 h GLU 108 CO 0.46 0.33 0.03 -0.22 -1.18 0.00 0.00 179.01 178.43 1lf8 h LYS 109 N 0.00 0.46 -0.13 1.92 3.64 -1.99 -0.22 116.57 120.25 1lf8 h LYS 109 Ca -0.00 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 1lf8 h LYS 109 Cb 0.68 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1lf8 h LYS 109 CO 0.04 0.59 0.00 0.28 -2.27 0.00 0.00 179.45 178.09 1lf8 h VAL 110 N 0.27 1.25 -0.86 2.00 2.07 -1.87 -2.19 116.25 116.92 1lf8 h VAL 110 Ca 0.08 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1lf8 h VAL 110 Cb 0.36 1.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 1lf8 h VAL 110 CO 0.01 0.24 0.57 0.11 0.02 0.00 0.00 177.57 178.51 1lf8 h LYS 111 N -0.03 1.09 -0.65 1.57 1.57 -1.40 -1.30 116.57 117.41 1lf8 h LYS 111 Ca 0.04 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1lf8 h LYS 111 Cb 0.36 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1lf8 h LYS 111 CO 0.01 0.72 0.30 1.15 -0.57 0.00 0.00 179.45 181.05 1lf8 h THR 112 N 1.12 1.23 -0.54 -0.16 2.02 -0.89 -1.43 112.91 114.26 1lf8 h THR 112 Ca 0.33 -0.66 -0.11 0.00 0.77 0.00 0.00 66.41 66.74 1lf8 h THR 112 Cb -0.05 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1lf8 h THR 112 CO -0.09 0.27 -0.10 0.50 0.37 0.00 0.00 175.52 176.48 1lf8 h LYS 113 N 0.91 1.00 -0.10 6.66 1.63 -0.82 -0.67 116.57 125.19 1lf8 h LYS 113 Ca 0.22 -0.36 -0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1lf8 h LYS 113 Cb 0.14 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1lf8 h LYS 113 CO -0.03 1.04 0.06 0.28 -3.45 0.00 0.00 179.45 177.35 1lf8 h VAL 114 N 0.89 1.07 -0.63 2.00 2.07 -0.83 0.60 116.25 121.43 1lf8 h VAL 114 Ca 0.14 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1lf8 h VAL 114 Cb 0.65 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 1lf8 h VAL 114 CO 0.05 0.06 0.31 0.40 0.02 0.00 0.00 177.57 178.41 1lf8 h ILE 115 N 0.08 1.21 -0.25 4.57 1.08 -1.23 -0.88 117.51 122.09 1lf8 h ILE 115 Ca 0.03 -0.59 0.06 0.00 -0.39 0.00 0.00 64.86 63.97 1lf8 h ILE 115 Cb 0.06 0.45 -0.07 0.00 -3.07 0.00 0.00 36.82 34.19 1lf8 h ILE 115 CO -0.01 0.24 -0.20 -0.08 -0.69 0.00 0.00 178.15 177.42 1lf8 h GLU 116 N 0.86 -0.19 -0.36 2.37 4.81 -0.58 -0.17 114.58 121.32 1lf8 h GLU 116 Ca 0.22 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 1lf8 h GLU 116 Cb 0.10 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1lf8 h GLU 116 CO -0.03 -0.13 0.16 -0.07 -0.73 0.00 0.00 179.01 178.22 1lf8 h LEU 117 N -0.20 0.48 0.12 1.64 3.38 -0.65 -0.09 115.31 120.00 1lf8 h LEU 117 Ca 0.14 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1lf8 h LEU 117 Cb 0.41 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1lf8 h LEU 117 CO -0.37 0.49 -0.28 -0.07 0.09 0.00 0.00 178.44 178.30 1lf8 h LEU 118 N 0.44 -0.80 -0.29 1.67 4.07 -0.70 0.72 115.31 120.42 1lf8 h LEU 118 Ca 0.12 0.09 0.01 0.00 0.08 0.00 0.00 57.88 58.18 1lf8 h LEU 118 Cb 0.14 0.30 -0.02 0.00 1.08 0.00 0.00 40.66 42.17 1lf8 h LEU 118 CO -0.01 -0.37 0.19 0.22 -1.08 0.00 0.00 178.44 177.38 1lf8 h TYR 119 N -0.50 0.35 -0.88 1.13 3.20 -0.98 -2.08 116.97 117.22 1lf8 h TYR 119 Ca 0.03 0.01 0.14 0.00 3.14 0.00 0.00 58.73 62.05 1lf8 h TYR 119 Cb 0.52 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.61 1lf8 h TYR 119 CO -0.25 0.22 0.57 1.03 -1.64 0.00 0.00 178.16 178.09 1lf8 h SER 120 N 0.38 0.63 0.84 -2.11 0.87 -0.56 -1.27 113.55 112.33 1lf8 h SER 120 Ca 0.11 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.59 1lf8 h SER 120 Cb -0.03 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.82 1lf8 h SER 120 CO -0.03 0.32 -0.58 -0.50 -0.53 0.00 0.00 176.83 175.50 1lf8 h TRP 121 N 0.67 0.00 0.00 2.24 6.55 -0.19 -1.69 115.95 123.53 1lf8 h TRP 121 Ca 0.44 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.28 1lf8 h TRP 121 Cb 0.73 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.03 1lf8 h TRP 121 CO -0.00 0.58 0.00 1.79 -1.05 0.00 0.00 178.44 179.76 1lf8 h THR 122 N 0.00 0.00 0.00 1.49 1.35 -0.79 0.14 112.91 115.10 1lf8 h THR 122 Ca -0.01 -0.46 -0.31 0.00 -0.55 0.00 0.00 66.41 65.08 1lf8 h THR 122 Cb 1.16 1.38 -0.06 0.00 -1.73 0.00 0.00 68.15 68.90 1lf8 h THR 122 CO 0.08 0.00 -2.11 0.23 -0.25 0.00 0.00 175.52 173.46 1lf8 n MET 123 N -2.78 0.67 0.01 4.72 2.81 -1.11 -4.52 117.12 116.92 1lf8 n MET 123 Ca 0.02 0.07 0.01 0.00 -1.81 0.00 0.00 57.70 55.99 1lf8 n MET 123 Cb 0.31 -1.61 -0.10 0.00 -0.71 0.00 0.00 33.22 31.10 1lf8 n MET 123 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1lf8 n ALA 124 N -2.64 2.06 -3.93 3.04 0.00 -0.65 -4.70 120.51 113.69 1lf8 n ALA 124 Ca -0.25 -0.65 -0.29 0.00 0.00 0.00 0.00 53.44 52.25 1lf8 n ALA 124 Cb 1.07 -0.80 -0.13 0.00 0.00 0.00 0.00 19.45 19.58 1lf8 n ALA 124 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1lf8 s LEU 125 N -5.47 4.53 0.21 0.00 1.43 0.47 -4.96 118.68 114.89 1lf8 s LEU 125 Ca -0.05 -3.36 -0.10 0.00 -1.03 0.00 0.00 54.13 49.60 1lf8 s LEU 125 Cb 0.09 -1.64 0.20 0.00 0.03 0.00 0.00 46.19 44.87 1lf8 s LEU 125 CO 0.83 -0.17 1.83 -0.65 0.23 0.00 0.00 176.35 178.42 1lf8 h PRO 126 N 6.06 0.77 0.00 1.29 0.11 -1.83 -2.51 132.00 135.89 1lf8 h PRO 126 Ca 0.01 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1lf8 h PRO 126 Cb 0.84 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.77 1lf8 h PRO 126 CO 0.70 0.51 0.00 -0.85 -0.21 0.00 0.00 178.00 178.15 1lf8 n GLU 127 N -4.71 0.75 -3.54 1.05 -0.00 -1.26 -4.33 120.64 108.60 1lf8 n GLU 127 Ca 0.08 0.00 -0.35 0.00 -0.00 0.00 0.00 57.16 56.89 1lf8 n GLU 127 Cb 0.11 -1.17 -0.06 0.00 -0.00 0.00 0.00 31.44 30.32 1lf8 n GLU 127 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1lf8 n GLU 128 N -0.67 2.81 -0.04 3.44 4.07 -0.94 -4.91 120.64 124.39 1lf8 n GLU 128 Ca 0.06 -4.52 -0.02 0.00 -0.06 0.00 0.00 57.16 52.62 1lf8 n GLU 128 Cb 0.03 -2.39 0.24 0.00 -0.06 0.00 0.00 31.44 29.25 1lf8 n GLU 128 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1lf8 h ALA 129 N 5.58 1.25 0.00 4.31 0.00 -1.84 -2.87 119.26 125.69 1lf8 h ALA 129 Ca 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1lf8 h ALA 129 Cb 0.76 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1lf8 h ALA 129 CO 0.91 0.50 -0.07 0.87 0.00 0.00 0.00 179.25 181.46 1lf8 h LYS 130 N 0.58 0.00 -0.26 0.00 1.57 -1.91 -0.69 116.57 115.86 1lf8 h LYS 130 Ca 0.12 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1lf8 h LYS 130 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1lf8 h LYS 130 CO 0.02 0.07 -0.27 0.82 -0.57 0.00 0.00 179.45 179.52 1lf8 h ILE 131 N 0.00 1.31 -0.59 1.86 2.04 -1.74 -0.42 117.51 119.97 1lf8 h ILE 131 Ca -0.00 -1.44 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 1lf8 h ILE 131 Cb 0.15 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1lf8 h ILE 131 CO 0.01 0.45 0.22 0.11 0.00 0.00 0.00 178.15 178.94 1lf8 h LYS 132 N 0.36 0.89 -0.99 2.37 1.57 -1.44 0.23 116.57 119.55 1lf8 h LYS 132 Ca 0.04 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1lf8 h LYS 132 Cb 0.83 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 1lf8 h LYS 132 CO 0.07 0.77 0.66 -0.44 -0.57 0.00 0.00 179.45 179.93 1lf8 h ASP 133 N 0.82 1.12 -0.03 0.86 3.32 -0.96 0.19 116.42 121.73 1lf8 h ASP 133 Ca 0.19 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 1lf8 h ASP 133 Cb 0.23 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1lf8 h ASP 133 CO -0.01 0.79 -0.54 0.00 -1.72 0.00 0.00 179.24 177.76 1lf8 h ALA 134 N 1.38 0.67 -0.09 3.45 0.00 -0.64 -2.41 119.26 121.62 1lf8 h ALA 134 Ca 0.38 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1lf8 h ALA 134 Cb -0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1lf8 h ALA 134 CO -0.10 0.68 -0.07 -0.92 0.00 0.00 0.00 179.25 178.84 1lf8 h TYR 135 N 0.48 0.24 -0.45 0.00 3.20 -0.36 -2.87 116.97 117.20 1lf8 h TYR 135 Ca 0.01 -0.07 0.07 0.00 3.14 0.00 0.00 58.73 61.88 1lf8 h TYR 135 Cb 1.09 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.28 1lf8 h TYR 135 CO 0.05 0.62 0.30 0.45 -1.64 0.00 0.00 178.16 177.94 1lf8 h HIS 136 N -0.21 0.32 -0.44 -3.82 3.86 -0.66 -1.46 115.15 112.74 1lf8 h HIS 136 Ca 0.02 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.15 1lf8 h HIS 136 Cb 0.57 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1lf8 h HIS 136 CO 0.08 0.17 -0.07 1.98 0.86 0.00 0.00 177.93 180.95 1lf8 h MET 137 N 0.31 0.82 0.00 2.45 1.85 -1.32 -2.28 114.93 116.76 1lf8 h MET 137 Ca 0.20 -0.30 -0.01 0.00 -0.61 0.00 0.00 59.70 58.98 1lf8 h MET 137 Cb 0.39 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 32.36 1lf8 h MET 137 CO -0.04 0.92 -0.07 -0.07 -0.40 0.00 0.00 176.91 177.24 1lf8 h LEU 138 N 0.66 0.00 0.03 3.39 3.38 -1.05 -1.11 115.31 120.60 1lf8 h LEU 138 Ca 0.12 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 1lf8 h LEU 138 Cb 0.59 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.36 1lf8 h LEU 138 CO 0.04 0.07 -0.71 0.11 0.09 0.00 0.00 178.44 178.04 1lf8 h LYS 139 N 0.00 0.43 0.00 1.13 1.57 -1.16 0.04 116.57 118.58 1lf8 h LYS 139 Ca -0.00 -0.50 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1lf8 h LYS 139 Cb 0.14 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1lf8 h LYS 139 CO 0.01 1.16 0.00 2.89 -0.57 0.00 0.00 179.45 182.94 1lf8 n ARG 140 N -4.15 0.12 0.00 3.15 1.85 -0.89 -2.15 116.66 114.59 1lf8 n ARG 140 Ca -0.11 0.24 0.12 0.00 -1.00 0.00 0.00 57.85 57.10 1lf8 n ARG 140 Cb 0.73 -1.69 0.12 0.00 -1.05 0.00 0.00 32.46 30.57 1lf8 n ARG 140 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1lf8 n GLN 141 N -1.91 1.50 0.00 2.89 1.13 -0.45 -4.97 117.38 115.57 1lf8 n GLN 141 Ca 0.04 -1.18 0.00 0.00 -1.94 0.00 0.00 57.00 53.93 1lf8 n GLN 141 Cb 0.29 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.16 1lf8 n GLN 141 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1lf8 n GLY 142 N 1.37 2.03 0.26 1.08 0.00 -0.92 -4.91 105.19 104.11 1lf8 n GLY 142 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 1lf8 n GLY 142 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1lf8 h ILE 143 N 0.00 1.03 -3.60 -0.61 5.03 -1.28 -3.37 117.51 114.71 1lf8 h ILE 143 Ca 0.00 -0.26 -0.68 0.00 -0.12 0.00 0.00 64.86 63.80 1lf8 h ILE 143 Cb 0.00 0.20 -0.29 0.00 -3.03 0.00 0.00 36.82 33.70 1lf8 h ILE 143 CO 0.00 0.14 -0.66 -0.69 -0.68 0.00 0.00 178.15 176.26 1lf8 s VAL 144 N -6.11 3.51 0.01 1.67 1.01 -0.61 -5.00 120.40 114.89 1lf8 s VAL 144 Ca -0.13 -0.92 -0.25 0.00 0.00 0.00 0.00 61.98 60.68 1lf8 s VAL 144 Cb 0.16 -2.85 -0.17 0.00 0.00 0.00 0.00 36.38 33.52 1lf8 s VAL 144 CO 0.76 0.06 1.26 1.56 0.00 0.00 0.00 175.10 178.74 1lf8 h GLN 145 N 8.14 -0.31 -3.76 2.72 1.08 -1.89 -3.38 115.11 117.72 1lf8 h GLN 145 Ca -0.30 0.02 -0.08 0.00 -1.45 0.00 0.00 58.65 56.84 1lf8 h GLN 145 Cb 1.11 0.07 -0.13 0.00 -0.05 0.00 0.00 27.48 28.48 1lf8 h GLN 145 CO 0.59 0.02 -0.30 -1.54 -0.95 0.00 0.00 178.83 176.65 1lf8 s SER 146 N -5.19 0.04 0.06 1.46 1.04 -1.26 -5.06 113.70 104.78 1lf8 s SER 146 Ca -0.14 -0.67 -0.34 0.00 0.48 0.00 0.00 55.95 55.28 1lf8 s SER 146 Cb 0.02 0.39 -0.13 0.00 0.10 0.00 0.00 66.02 66.41 1lf8 s SER 146 CO 0.57 -0.81 1.71 0.47 0.98 0.00 0.00 173.24 176.16 1lf8 n ASP 147 N -0.14 3.26 -4.88 7.02 8.00 -1.26 -4.96 116.55 123.60 1lf8 n ASP 147 Ca -0.13 1.03 -0.30 0.00 0.71 0.00 0.00 54.79 56.11 1lf8 n ASP 147 Cb 0.63 -1.41 -0.01 0.00 -0.02 0.00 0.00 41.12 40.31 1lf8 n ASP 147 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1lf8 s PRO 148 N 2.27 3.70 0.45 -0.24 0.04 -1.26 -5.05 135.00 134.91 1lf8 s PRO 148 Ca 0.85 0.58 -0.22 0.00 0.04 0.00 0.00 61.00 62.25 1lf8 s PRO 148 Cb -0.68 -2.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.52 1lf8 s PRO 148 CO 0.44 -0.28 1.04 -1.25 0.04 0.00 0.00 177.00 176.99 1lf8 s PRO 149 N -4.49 3.96 0.06 0.56 0.04 -1.26 -5.04 135.00 128.83 1lf8 s PRO 149 Ca 0.53 1.40 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 1lf8 s PRO 149 Cb -0.10 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1lf8 s PRO 149 CO 0.41 -0.30 -0.02 0.96 0.04 0.00 0.00 177.00 178.09 1lf8 s ILE 150 N -1.88 0.21 0.49 0.56 -4.36 -1.26 -4.98 121.20 109.98 1lf8 s ILE 150 Ca 0.63 -1.82 -0.24 0.00 -0.26 0.00 0.00 60.65 58.96 1lf8 s ILE 150 Cb -0.18 -1.59 -0.07 0.00 1.25 0.00 0.00 42.46 41.87 1lf8 s ILE 150 CO 0.22 -0.93 1.36 -2.65 0.24 0.00 0.00 174.94 173.18 1lf8 n PRO 151 N 0.08 1.93 -3.69 0.37 -0.02 -1.26 -4.99 135.00 127.43 1lf8 n PRO 151 Ca -0.13 0.70 -0.11 0.00 -2.02 0.00 0.00 63.50 61.94 1lf8 n PRO 151 Cb 0.61 -2.55 -0.12 0.00 -0.02 0.00 0.00 33.50 31.42 1lf8 n PRO 151 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1lf8 s VAL 152 N -1.24 -0.23 0.41 -1.45 -7.23 -1.26 -5.08 120.40 104.32 1lf8 s VAL 152 Ca 0.66 0.16 0.02 0.00 -1.81 0.00 0.00 61.98 61.01 1lf8 s VAL 152 Cb -0.45 -0.53 -0.01 0.00 0.56 0.00 0.00 36.38 35.96 1lf8 s VAL 152 CO 0.54 0.07 0.08 -0.90 -0.31 0.00 0.00 175.10 174.58 1lf8 n ASP 153 N 4.70 2.04 0.00 4.85 5.68 -1.26 -5.03 116.55 127.54 1lf8 n ASP 153 Ca -0.17 -2.98 0.06 0.00 -0.50 0.00 0.00 54.79 51.20 1lf8 n ASP 153 Cb 0.52 0.68 0.37 0.00 -1.14 0.00 0.00 41.12 41.56 1lf8 n ASP 153 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1lf8 n ARG 154 N -0.96 0.58 0.00 0.11 1.74 -1.26 -2.57 116.66 114.31 1lf8 n ARG 154 Ca -0.11 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.06 1lf8 n ARG 154 Cb 0.56 -1.34 -0.04 0.00 -1.02 0.00 0.00 32.46 30.63 1lf8 n ARG 154 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1lf8 n THR 155 N -0.84 0.00 1.24 0.55 -2.24 -1.26 -5.31 114.28 106.42 1lf8 n THR 155 Ca 0.09 -0.22 0.13 0.00 -2.27 0.00 0.00 64.05 61.78 1lf8 n THR 155 Cb 0.04 1.13 0.30 0.00 -2.10 0.00 0.00 70.33 69.70 1lf8 n THR 155 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39