#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fg9 n GLN 1 N 0.00 2.45 -2.72 2.12 -0.06 -1.26 -4.95 117.38 112.96 1fg9 n GLN 1 Ca 0.00 0.88 -0.42 0.00 -2.00 0.00 0.00 57.00 55.46 1fg9 n GLN 1 Cb 0.00 -2.62 -0.03 0.00 -4.06 0.00 0.00 30.24 23.53 1fg9 n GLN 1 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1fg9 s ASP 2 N 0.52 7.35 0.30 1.69 -1.08 -1.26 -4.93 116.67 119.26 1fg9 s ASP 2 Ca 0.67 1.63 0.13 0.00 -0.52 0.00 0.00 52.55 54.47 1fg9 s ASP 2 Cb -0.56 -2.56 0.99 0.00 -1.46 0.00 0.00 42.92 39.33 1fg9 s ASP 2 CO 0.47 -0.26 1.34 -2.65 0.52 0.00 0.00 175.17 174.59 1fg9 n PRO 3 N 3.94 -0.06 0.11 4.34 -0.02 -1.26 -1.93 135.00 140.13 1fg9 n PRO 3 Ca 0.06 1.21 -0.03 0.00 -2.02 0.00 0.00 63.50 62.72 1fg9 n PRO 3 Cb 0.51 -2.09 0.17 0.00 -0.02 0.00 0.00 33.50 32.08 1fg9 n PRO 3 CO 0.00 0.00 0.00 0.10 1.98 0.00 0.00 175.50 177.58 1fg9 h TYR 4 N 0.00 0.19 -0.80 6.00 -0.00 -1.91 -3.28 116.97 117.16 1fg9 h TYR 4 Ca 0.66 -0.07 0.13 0.00 0.00 0.00 0.00 58.73 59.45 1fg9 h TYR 4 Cb 1.65 -0.04 -0.09 0.00 0.00 0.00 0.00 36.73 38.26 1fg9 h TYR 4 CO -0.14 0.67 0.40 -0.39 -0.00 0.00 0.00 178.16 178.70 1fg9 h VAL 5 N 0.11 0.77 0.07 -0.90 -1.51 -1.79 0.40 116.25 113.40 1fg9 h VAL 5 Ca -0.00 -0.21 0.02 0.00 -1.23 0.00 0.00 66.70 65.28 1fg9 h VAL 5 Cb 1.01 0.10 -0.05 0.00 -2.13 0.00 0.00 31.29 30.22 1fg9 h VAL 5 CO 0.08 0.11 -0.43 0.50 -1.23 0.00 0.00 177.57 176.60 1fg9 h LYS 6 N 0.62 -0.61 0.00 5.19 3.64 -1.73 0.12 116.57 123.80 1fg9 h LYS 6 Ca 0.42 0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.80 1fg9 h LYS 6 Cb 0.54 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1fg9 h LYS 6 CO -0.33 -0.41 -0.20 0.93 -2.27 0.00 0.00 179.45 177.18 1fg9 h GLU 7 N -0.63 0.00 -0.16 1.90 4.39 -1.54 -0.10 114.58 118.44 1fg9 h GLU 7 Ca 0.03 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.56 1fg9 h GLU 7 Cb 0.68 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.34 1fg9 h GLU 7 CO -0.28 0.20 -0.56 0.00 -1.16 0.00 0.00 179.01 177.21 1fg9 h ALA 8 N 1.80 0.28 -0.23 3.43 0.00 0.78 -1.76 119.26 123.57 1fg9 h ALA 8 Ca -0.00 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 1fg9 h ALA 8 Cb 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1fg9 h ALA 8 CO 0.03 0.50 -0.45 0.93 0.00 0.00 0.00 179.25 180.26 1fg9 h GLU 9 N 0.34 0.57 0.39 0.00 5.08 -0.36 -0.65 114.58 119.95 1fg9 h GLU 9 Ca -0.03 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 1fg9 h GLU 9 Cb 1.19 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1fg9 h GLU 9 CO 0.12 0.91 -0.33 -0.97 -1.00 0.00 0.00 179.01 177.74 1fg9 h ASN 10 N 0.46 -0.88 -0.83 1.42 -0.00 -0.96 -0.53 115.58 114.26 1fg9 h ASN 10 Ca 0.03 0.07 0.11 0.00 -0.00 0.00 0.00 56.30 56.51 1fg9 h ASN 10 Cb 0.97 0.29 -0.08 0.00 -0.00 0.00 0.00 38.32 39.49 1fg9 h ASN 10 CO 0.09 -0.48 0.46 -0.07 -0.00 0.00 0.00 177.43 177.42 1fg9 h LEU 11 N -0.73 0.63 -0.98 0.34 3.38 -1.16 -0.83 115.31 115.97 1fg9 h LEU 11 Ca -0.03 0.06 0.17 0.00 0.09 0.00 0.00 57.88 58.16 1fg9 h LEU 11 Cb 0.64 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 1fg9 h LEU 11 CO -0.03 0.34 0.59 0.50 0.09 0.00 0.00 178.44 179.93 1fg9 h LYS 12 N 0.74 0.78 0.32 1.13 3.64 0.20 -0.08 116.57 123.31 1fg9 h LYS 12 Ca 0.41 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.73 1fg9 h LYS 12 Cb 0.44 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1fg9 h LYS 12 CO -0.28 0.51 -0.15 0.87 -2.27 0.00 0.00 179.45 178.13 1fg9 h LYS 13 N 0.80 -0.41 -0.83 1.90 1.57 0.31 -2.12 116.57 117.78 1fg9 h LYS 13 Ca 0.54 0.03 0.17 0.00 -1.87 0.00 0.00 60.65 59.52 1fg9 h LYS 13 Cb 0.76 0.09 -0.16 0.00 0.08 0.00 0.00 32.23 33.00 1fg9 h LYS 13 CO -0.35 -0.09 -0.19 -0.92 -0.57 0.00 0.00 179.45 177.33 1fg9 h TYR 14 N -0.82 -0.42 0.00 -1.35 3.20 -0.89 0.59 116.97 117.29 1fg9 h TYR 14 Ca -0.04 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1fg9 h TYR 14 Cb 0.52 0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.10 1fg9 h TYR 14 CO 0.03 -0.35 0.00 1.19 -1.64 0.00 0.00 178.16 177.38 1fg9 n PHE 15 N -5.53 0.00 -3.85 -3.82 3.01 -0.13 -4.91 117.46 102.22 1fg9 n PHE 15 Ca 0.12 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.26 1fg9 n PHE 15 Cb 0.43 -0.34 0.02 0.00 -0.01 0.00 0.00 39.48 39.57 1fg9 n PHE 15 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1fg9 n ASN 16 N -1.34 -3.43 0.06 4.37 4.05 0.21 -4.90 115.26 114.28 1fg9 n ASN 16 Ca 0.12 -1.07 0.12 0.00 0.45 0.00 0.00 54.58 54.19 1fg9 n ASN 16 Cb 0.26 -2.93 0.13 0.00 1.23 0.00 0.00 39.78 38.47 1fg9 n ASN 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1fg9 h ALA 17 N 0.97 0.54 -2.47 5.20 0.00 -1.62 -3.40 119.26 118.47 1fg9 h ALA 17 Ca -0.66 0.00 -0.75 0.00 0.00 0.00 0.00 54.91 53.49 1fg9 h ALA 17 Cb 1.37 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.93 1fg9 h ALA 17 CO 0.54 0.00 0.30 0.20 0.00 0.00 0.00 179.25 180.29 1fg9 s GLY 18 N -3.77 2.37 0.00 0.00 0.00 -1.26 -4.67 107.32 99.99 1fg9 s GLY 18 Ca 0.05 -3.06 0.00 0.00 0.00 0.00 0.00 44.72 41.71 1fg9 s GLY 18 CO 0.74 1.50 0.00 1.57 0.00 0.00 0.00 173.10 176.91 1fg9 n HIS 19 N 4.94 0.00 0.00 1.90 -0.00 -1.26 -5.06 115.22 115.74 1fg9 n HIS 19 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 1fg9 n HIS 19 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.46 1fg9 n HIS 19 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1fg9 n SER 20 N 0.00 0.00 -0.30 0.26 7.64 -1.26 -1.48 113.62 118.48 1fg9 n SER 20 Ca 0.00 0.00 0.21 0.00 1.01 0.00 0.00 58.87 60.09 1fg9 n SER 20 Cb 0.00 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 63.59 1fg9 n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1fg9 n ASP 21 N -1.05 0.10 -0.17 6.43 8.00 -1.26 -1.31 116.55 127.29 1fg9 n ASP 21 Ca 0.00 1.50 0.28 0.00 0.71 0.00 0.00 54.79 57.29 1fg9 n ASP 21 Cb 0.00 -0.64 0.72 0.00 -0.02 0.00 0.00 41.12 41.19 1fg9 n ASP 21 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1fg9 h VAL 22 N 0.00 0.56 0.00 2.53 3.04 -1.53 0.53 116.25 121.37 1fg9 h VAL 22 Ca 0.65 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 66.34 1fg9 h VAL 22 Cb 1.56 0.56 -0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1fg9 h VAL 22 CO -0.77 0.00 -0.02 0.00 -1.01 0.00 0.00 177.57 175.77 1fg9 h ALA 23 N 1.56 1.02 -2.72 3.17 0.00 -1.42 -3.45 119.26 117.43 1fg9 h ALA 23 Ca 0.42 -0.02 -0.51 0.00 0.00 0.00 0.00 54.91 54.80 1fg9 h ALA 23 Cb 1.69 -0.00 0.07 0.00 0.00 0.00 0.00 17.79 19.55 1fg9 h ALA 23 CO -0.00 0.03 0.49 -0.51 0.00 0.00 0.00 179.25 179.25 1fg9 s ASP 24 N -5.62 6.09 -0.29 0.00 1.01 0.19 -4.56 116.67 113.49 1fg9 s ASP 24 Ca -0.01 2.34 -0.10 0.00 0.71 0.00 0.00 52.55 55.49 1fg9 s ASP 24 Cb 0.10 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.44 1fg9 s ASP 24 CO 0.52 -0.97 0.38 0.59 0.21 0.00 0.00 175.17 175.90 1fg9 n ASN 25 N -0.54 -6.07 0.00 0.27 4.13 -1.26 -4.92 115.26 106.86 1fg9 n ASN 25 Ca 0.08 0.41 0.00 0.00 1.68 0.00 0.00 54.58 56.75 1fg9 n ASN 25 Cb 0.48 -4.00 0.00 0.00 -1.54 0.00 0.00 39.78 34.71 1fg9 n ASN 25 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1fg9 n GLY 26 N -0.31 0.71 2.93 7.41 0.00 -1.26 -4.77 105.19 109.90 1fg9 n GLY 26 Ca 0.08 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 1fg9 n GLY 26 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fg9 s THR 27 N 0.00 -0.01 0.00 2.61 -4.23 -1.26 -4.99 115.64 107.77 1fg9 s THR 27 Ca 0.00 0.02 -0.05 0.00 -1.18 0.00 0.00 61.69 60.49 1fg9 s THR 27 Cb 0.00 -0.11 -0.03 0.00 1.34 0.00 0.00 72.50 73.70 1fg9 s THR 27 CO 0.00 0.01 0.91 -0.07 -0.54 0.00 0.00 174.62 174.93 1fg9 h LEU 28 N 6.19 -0.14 0.00 4.79 3.38 -2.00 -3.43 115.31 124.10 1fg9 h LEU 28 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1fg9 h LEU 28 Cb 1.20 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1fg9 h LEU 28 CO 0.46 -0.09 0.00 0.49 0.09 0.00 0.00 178.44 179.39 1fg9 n PHE 29 N -2.51 0.00 0.00 1.13 3.72 -1.26 -4.62 117.46 113.93 1fg9 n PHE 29 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1fg9 n PHE 29 Cb 0.07 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 1fg9 n PHE 29 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1fg9 n LEU 30 N -1.34 0.00 0.03 4.37 4.77 -1.26 0.13 117.00 123.70 1fg9 n LEU 30 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 1fg9 n LEU 30 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1fg9 n LEU 30 CO 0.00 0.00 0.14 1.23 -1.33 0.00 0.00 177.39 177.43 1fg9 h GLY 31 N 0.00 0.35 0.98 -0.72 0.00 -1.85 -2.92 103.07 98.91 1fg9 h GLY 31 Ca 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 47.33 46.56 1fg9 h GLY 31 CO 0.00 0.68 0.36 -2.22 0.00 0.00 0.00 176.54 175.36 1fg9 h ILE 32 N -0.33 1.13 0.00 2.60 2.04 -0.57 0.18 117.51 122.56 1fg9 h ILE 32 Ca -0.11 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1fg9 h ILE 32 Cb 1.48 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1fg9 h ILE 32 CO 0.13 0.13 0.00 0.25 0.00 0.00 0.00 178.15 178.66 1fg9 h LEU 33 N 0.73 0.00 0.00 1.44 5.85 -1.59 -1.95 115.31 119.79 1fg9 h LEU 33 Ca 0.21 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1fg9 h LEU 33 Cb -0.07 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1fg9 h LEU 33 CO -0.05 0.00 -0.62 0.50 -0.34 0.00 0.00 178.44 177.92 1fg9 h LYS 34 N 0.00 0.00 0.00 1.25 3.64 -0.44 -3.24 116.57 117.78 1fg9 h LYS 34 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1fg9 h LYS 34 Cb 0.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1fg9 h LYS 34 CO 0.00 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.27 1fg9 n ASN 35 N -2.84 0.00 -3.93 4.20 3.02 -0.73 -4.73 115.26 110.25 1fg9 n ASN 35 Ca 0.01 0.15 -0.27 0.00 -0.03 0.00 0.00 54.58 54.44 1fg9 n ASN 35 Cb 0.54 -0.37 -0.17 0.00 -0.61 0.00 0.00 39.78 39.17 1fg9 n ASN 35 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1fg9 s TRP 36 N -2.75 1.57 -0.06 3.10 0.52 -1.22 -4.97 118.94 115.12 1fg9 s TRP 36 Ca 0.20 -0.79 0.06 0.00 0.02 0.00 0.00 56.10 55.59 1fg9 s TRP 36 Cb 0.18 -1.27 -0.08 0.00 -1.15 0.00 0.00 33.47 31.15 1fg9 s TRP 36 CO 0.44 -0.52 0.15 1.63 0.02 0.00 0.00 176.95 178.68 1fg9 n LYS 37 N 4.82 1.24 -2.28 4.98 4.01 -1.26 -4.62 118.16 125.05 1fg9 n LYS 37 Ca -0.14 -0.04 -0.43 0.00 -0.51 0.00 0.00 58.31 57.19 1fg9 n LYS 37 Cb 0.50 -1.06 -0.02 0.00 -0.51 0.00 0.00 35.03 33.94 1fg9 n LYS 37 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 1fg9 s GLU 38 N -2.22 4.14 0.30 1.97 2.56 -1.26 -4.89 118.70 119.30 1fg9 s GLU 38 Ca -0.01 1.75 0.03 0.00 0.00 0.00 0.00 54.97 56.74 1fg9 s GLU 38 Cb 0.04 -3.86 0.75 0.00 2.00 0.00 0.00 34.13 33.05 1fg9 s GLU 38 CO 0.24 -0.85 1.62 1.49 -0.56 0.00 0.00 175.26 177.19 1fg9 h GLU 39 N 8.94 0.11 0.16 4.30 4.57 -1.98 -0.41 114.58 130.27 1fg9 h GLU 39 Ca -0.30 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 57.89 1fg9 h GLU 39 Cb 1.13 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.65 1fg9 h GLU 39 CO 0.98 0.08 -0.39 1.03 -1.18 0.00 0.00 179.01 179.52 1fg9 h SER 40 N 0.12 -1.13 -0.28 1.04 0.87 -1.99 -0.25 113.55 111.92 1fg9 h SER 40 Ca 0.58 0.12 0.03 0.00 -1.23 0.00 0.00 61.79 61.29 1fg9 h SER 40 Cb 1.21 0.42 -0.03 0.00 -0.44 0.00 0.00 62.40 63.56 1fg9 h SER 40 CO -0.75 -0.48 0.10 0.44 -0.53 0.00 0.00 176.83 175.61 1fg9 h ASP 41 N -0.65 0.11 -1.05 6.23 3.32 -1.52 0.15 116.42 123.01 1fg9 h ASP 41 Ca 0.02 0.03 0.27 0.00 0.02 0.00 0.00 57.03 57.37 1fg9 h ASP 41 Cb 0.66 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 40.15 1fg9 h ASP 41 CO -0.20 0.09 0.69 0.03 -1.72 0.00 0.00 179.24 178.13 1fg9 h ARG 42 N 0.22 0.30 0.01 3.56 3.08 -0.86 0.57 114.38 121.26 1fg9 h ARG 42 Ca 0.12 -0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.97 1fg9 h ARG 42 Cb 0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1fg9 h ARG 42 CO -0.13 0.20 -0.88 0.87 -1.07 0.00 0.00 179.97 178.96 1fg9 h LYS 43 N 0.31 0.06 0.00 0.04 1.79 0.11 0.51 116.57 119.38 1fg9 h LYS 43 Ca 0.57 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.97 1fg9 h LYS 43 Cb 1.62 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.29 1fg9 h LYS 43 CO -0.23 0.90 0.00 0.44 -1.08 0.00 0.00 179.45 179.48 1fg9 n ILE 44 N -3.55 0.89 -0.12 1.86 -5.35 0.20 -2.33 119.36 110.95 1fg9 n ILE 44 Ca -0.01 0.25 -0.23 0.00 -0.27 0.00 0.00 62.75 62.48 1fg9 n ILE 44 Cb 0.83 -1.14 -0.09 0.00 -1.74 0.00 0.00 39.64 37.50 1fg9 n ILE 44 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 1fg9 n MET 45 N -2.04 0.51 -0.06 6.28 2.81 -1.03 -4.32 117.12 119.26 1fg9 n MET 45 Ca 0.02 0.20 0.23 0.00 -1.81 0.00 0.00 57.70 56.35 1fg9 n MET 45 Cb 0.21 -1.35 0.71 0.00 -0.71 0.00 0.00 33.22 32.07 1fg9 n MET 45 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1fg9 h GLN 46 N -0.68 0.00 0.28 0.03 4.20 -0.90 -0.88 115.11 117.16 1fg9 h GLN 46 Ca -0.58 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.12 1fg9 h GLN 46 Cb 1.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.35 1fg9 h GLN 46 CO -0.31 0.00 -0.14 1.03 -0.67 0.00 0.00 178.83 178.75 1fg9 h SER 47 N 0.00 -0.32 -0.23 1.46 0.87 -1.65 0.33 113.55 114.00 1fg9 h SER 47 Ca 0.31 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.85 1fg9 h SER 47 Cb 1.27 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 63.30 1fg9 h SER 47 CO -0.00 -0.23 0.05 1.56 -0.53 0.00 0.00 176.83 177.67 1fg9 h GLN 48 N -0.38 0.47 -0.36 2.24 1.08 -1.40 -0.58 115.11 116.18 1fg9 h GLN 48 Ca -0.04 -0.08 -0.14 0.00 -1.45 0.00 0.00 58.65 56.94 1fg9 h GLN 48 Cb 0.29 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1fg9 h GLN 48 CO 0.06 0.46 -0.32 0.82 -0.95 0.00 0.00 178.83 178.90 1fg9 h ILE 49 N 0.46 1.28 -0.03 2.54 2.04 -0.56 -1.77 117.51 121.46 1fg9 h ILE 49 Ca 0.11 -1.48 -0.22 0.00 1.00 0.00 0.00 64.86 64.27 1fg9 h ILE 49 Cb 0.23 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1fg9 h ILE 49 CO 0.00 0.49 -0.90 0.58 0.00 0.00 0.00 178.15 178.32 1fg9 h VAL 50 N 0.68 1.37 -0.18 1.67 2.07 0.37 -2.20 116.25 120.02 1fg9 h VAL 50 Ca 0.07 -2.31 -0.03 0.00 0.82 0.00 0.00 66.70 65.25 1fg9 h VAL 50 Cb 0.87 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1fg9 h VAL 50 CO 0.08 0.70 -0.02 0.77 0.02 0.00 0.00 177.57 179.12 1fg9 h SER 51 N 0.29 0.24 0.33 0.57 4.64 -1.08 0.25 113.55 118.78 1fg9 h SER 51 Ca -0.07 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 1fg9 h SER 51 Cb 1.52 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 1fg9 h SER 51 CO 0.16 0.30 -0.16 0.15 -0.87 0.00 0.00 176.83 176.42 1fg9 h PHE 52 N 0.26 -0.41 -0.02 4.77 3.57 -1.11 0.45 116.94 124.45 1fg9 h PHE 52 Ca 0.06 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.56 1fg9 h PHE 52 Cb 0.21 0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 1fg9 h PHE 52 CO 0.00 -0.08 0.03 1.88 -2.23 0.00 0.00 178.31 177.92 1fg9 h TYR 53 N -0.77 0.00 -0.08 0.41 0.05 -1.11 -0.50 116.97 114.97 1fg9 h TYR 53 Ca -0.04 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.63 1fg9 h TYR 53 Cb 0.51 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.25 1fg9 h TYR 53 CO 0.02 0.00 -0.37 0.74 -1.05 0.00 0.00 178.16 177.50 1fg9 h PHE 54 N 0.00 0.53 0.85 4.88 0.04 -0.30 -1.48 116.94 121.46 1fg9 h PHE 54 Ca 0.01 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.51 1fg9 h PHE 54 Cb 0.08 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1fg9 h PHE 54 CO 0.00 0.98 -0.48 0.87 -0.60 0.00 0.00 178.31 179.08 1fg9 h LYS 55 N -0.07 -1.18 -0.77 1.51 1.57 0.58 -2.76 116.57 115.45 1fg9 h LYS 55 Ca -0.02 0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.91 1fg9 h LYS 55 Cb 1.02 0.27 -0.09 0.00 0.08 0.00 0.00 32.23 33.50 1fg9 h LYS 55 CO 0.08 -0.79 -0.45 -0.11 -0.57 0.00 0.00 179.45 177.60 1fg9 n LEU 56 N -5.63 -0.81 0.30 2.94 -0.00 -0.44 0.42 117.00 113.77 1fg9 n LEU 56 Ca -0.15 1.52 0.16 0.00 -0.00 0.00 0.00 56.01 57.54 1fg9 n LEU 56 Cb 0.50 -0.25 0.92 0.00 -0.00 0.00 0.00 43.42 44.59 1fg9 n LEU 56 CO 0.37 -1.19 1.09 -0.26 -0.00 0.00 0.00 177.39 177.40 1fg9 h PHE 57 N 0.00 0.00 -0.02 1.96 0.04 -1.28 -2.30 116.94 115.35 1fg9 h PHE 57 Ca 0.12 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 1fg9 h PHE 57 Cb 0.31 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.46 1fg9 h PHE 57 CO -0.93 0.03 -0.02 -0.22 -0.60 0.00 0.00 178.31 176.58 1fg9 h LYS 58 N 0.00 0.04 -0.60 1.51 3.64 0.27 -2.70 116.57 118.73 1fg9 h LYS 58 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1fg9 h LYS 58 Cb 0.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1fg9 h LYS 58 CO 0.00 0.51 0.00 0.09 -2.27 0.00 0.00 179.45 177.79 1fg9 n ASN 59 N -4.82 0.60 -0.56 4.20 4.13 -0.45 -1.99 115.26 116.37 1fg9 n ASN 59 Ca -0.08 -1.21 0.00 0.00 1.68 0.00 0.00 54.58 54.97 1fg9 n ASN 59 Cb 0.26 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 38.20 1fg9 n ASN 59 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1fg9 n PHE 60 N 0.19 0.00 1.22 3.10 3.72 -1.03 -4.83 117.46 119.83 1fg9 n PHE 60 Ca 0.00 -0.03 0.14 0.00 -0.05 0.00 0.00 57.45 57.50 1fg9 n PHE 60 Cb 0.15 0.00 0.53 0.00 -0.94 0.00 0.00 39.48 39.22 1fg9 n PHE 60 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1fg9 n LYS 61 N 0.03 0.38 0.04 -1.08 4.01 -0.84 -3.30 118.16 117.41 1fg9 n LYS 61 Ca -0.00 -0.14 -0.20 0.00 -0.51 0.00 0.00 58.31 57.47 1fg9 n LYS 61 Cb 0.69 -1.50 -0.13 0.00 -0.51 0.00 0.00 35.03 33.59 1fg9 n LYS 61 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1fg9 h ASP 62 N 0.33 0.64 -0.31 4.39 3.32 -1.88 -3.41 116.42 119.50 1fg9 h ASP 62 Ca 0.00 -0.83 -0.03 0.00 0.02 0.00 0.00 57.03 56.19 1fg9 h ASP 62 Cb 0.43 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1fg9 h ASP 62 CO 0.00 1.40 0.18 0.47 -1.72 0.00 0.00 179.24 179.57 1fg9 n ASP 63 N -4.05 1.52 -0.14 6.45 9.92 -1.21 -4.81 116.55 124.23 1fg9 n ASP 63 Ca -0.12 -1.42 0.06 0.00 -0.53 0.00 0.00 54.79 52.78 1fg9 n ASP 63 Cb 0.82 -1.57 0.38 0.00 -0.64 0.00 0.00 41.12 40.11 1fg9 n ASP 63 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 1fg9 h GLN 64 N 12.54 0.67 -0.86 -1.24 3.07 -1.87 -3.01 115.11 124.40 1fg9 h GLN 64 Ca 0.00 -0.04 0.24 0.00 0.09 0.00 0.00 58.65 58.94 1fg9 h GLN 64 Cb 1.01 -0.15 -0.04 0.00 0.08 0.00 0.00 27.48 28.38 1fg9 h GLN 64 CO 1.06 0.44 0.61 0.66 0.09 0.00 0.00 178.83 181.69 1fg9 h SER 65 N 0.69 0.09 -0.21 0.06 4.64 -1.96 -2.60 113.55 114.26 1fg9 h SER 65 Ca 0.28 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1fg9 h SER 65 Cb 0.22 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1fg9 h SER 65 CO -0.08 0.03 0.00 2.30 -0.87 0.00 0.00 176.83 178.21 1fg9 n ILE 66 N -4.33 0.98 0.18 0.95 -5.35 -1.14 -4.80 119.36 105.85 1fg9 n ILE 66 Ca 0.18 -0.99 -0.15 0.00 -0.27 0.00 0.00 62.75 61.52 1fg9 n ILE 66 Cb 0.87 0.51 -0.08 0.00 -1.74 0.00 0.00 39.64 39.21 1fg9 n ILE 66 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1fg9 h GLN 67 N 1.22 -0.70 -1.01 6.28 1.08 -1.53 -1.79 115.11 118.66 1fg9 h GLN 67 Ca 0.00 0.05 0.24 0.00 -1.45 0.00 0.00 58.65 57.49 1fg9 h GLN 67 Cb 0.63 0.16 -0.12 0.00 -0.05 0.00 0.00 27.48 28.10 1fg9 h GLN 67 CO 0.00 -0.47 0.60 -0.22 -0.95 0.00 0.00 178.83 177.80 1fg9 h LYS 68 N -0.73 0.57 0.04 1.46 3.64 -1.87 -0.89 116.57 118.79 1fg9 h LYS 68 Ca -0.01 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1fg9 h LYS 68 Cb 0.70 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1fg9 h LYS 68 CO -0.15 0.38 -0.02 0.77 -2.27 0.00 0.00 179.45 178.17 1fg9 h SER 69 N 0.59 -0.04 0.12 4.20 0.02 -1.81 -2.27 113.55 114.35 1fg9 h SER 69 Ca 0.63 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1fg9 h SER 69 Cb 1.21 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 1fg9 h SER 69 CO -0.45 0.21 -0.16 0.58 -1.14 0.00 0.00 176.83 175.87 1fg9 h VAL 70 N -0.29 1.14 0.02 2.27 2.07 -0.36 -0.32 116.25 120.77 1fg9 h VAL 70 Ca -0.00 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1fg9 h VAL 70 Cb 0.27 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1fg9 h VAL 70 CO 0.01 0.19 -0.01 1.05 0.02 0.00 0.00 177.57 178.83 1fg9 h GLU 71 N 0.07 -0.02 -0.80 1.57 -0.00 -1.21 -2.79 114.58 111.40 1fg9 h GLU 71 Ca 0.01 0.00 0.16 0.00 -0.00 0.00 0.00 59.36 59.53 1fg9 h GLU 71 Cb 0.32 0.00 -0.10 0.00 -0.00 0.00 0.00 28.75 28.98 1fg9 h GLU 71 CO 0.02 0.66 0.35 1.15 -0.00 0.00 0.00 179.01 181.19 1fg9 h THR 72 N -0.74 0.65 -0.19 -1.06 2.02 -1.10 0.21 112.91 112.70 1fg9 h THR 72 Ca -0.00 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1fg9 h THR 72 Cb 0.69 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1fg9 h THR 72 CO 0.00 0.09 0.04 0.40 0.37 0.00 0.00 175.52 176.42 1fg9 h ILE 73 N 0.48 1.21 -0.34 3.11 2.04 -1.15 -3.20 117.51 119.67 1fg9 h ILE 73 Ca 0.45 -0.68 0.07 0.00 1.00 0.00 0.00 64.86 65.70 1fg9 h ILE 73 Cb 0.70 1.30 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 1fg9 h ILE 73 CO -0.41 0.21 -0.07 0.11 0.00 0.00 0.00 178.15 177.99 1fg9 h LYS 74 N 0.12 0.01 -0.35 2.37 1.57 -0.35 -1.82 116.57 118.12 1fg9 h LYS 74 Ca 0.06 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 1fg9 h LYS 74 Cb 0.28 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.54 1fg9 h LYS 74 CO 0.00 0.01 0.06 1.49 -0.57 0.00 0.00 179.45 180.44 1fg9 h GLU 75 N 0.01 0.17 -0.64 3.15 4.57 -1.24 -0.51 114.58 120.09 1fg9 h GLU 75 Ca 0.16 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.38 1fg9 h GLU 75 Cb 0.25 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 1fg9 h GLU 75 CO -0.34 0.11 0.42 0.22 -1.18 0.00 0.00 179.01 178.25 1fg9 h ASP 76 N 0.17 0.61 0.20 1.04 3.58 -1.47 0.18 116.42 120.74 1fg9 h ASP 76 Ca 0.17 -0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.48 1fg9 h ASP 76 Cb 0.20 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 1fg9 h ASP 76 CO -0.23 0.41 -0.52 -0.03 -2.88 0.00 0.00 179.24 176.00 1fg9 h MET 77 N 0.70 0.35 0.11 0.28 4.05 -0.48 -1.21 114.93 118.74 1fg9 h MET 77 Ca 0.26 -0.21 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1fg9 h MET 77 Cb 0.16 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1fg9 h MET 77 CO -0.08 0.79 -0.05 -0.97 0.23 0.00 0.00 176.91 176.83 1fg9 h ASN 78 N 0.28 -0.13 0.02 1.39 -0.73 0.45 0.09 115.58 116.95 1fg9 h ASN 78 Ca 0.01 -0.29 -0.00 0.00 1.87 0.00 0.00 56.30 57.89 1fg9 h ASN 78 Cb 1.00 0.03 -0.00 0.00 0.27 0.00 0.00 38.32 39.63 1fg9 h ASN 78 CO 0.09 0.23 -0.01 0.58 -0.37 0.00 0.00 177.43 177.95 1fg9 h VAL 79 N -0.50 0.64 0.03 2.57 2.07 -0.63 -0.67 116.25 119.75 1fg9 h VAL 79 Ca -0.02 -0.03 -0.39 0.00 0.82 0.00 0.00 66.70 67.08 1fg9 h VAL 79 Cb 0.41 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 1fg9 h VAL 79 CO 0.03 0.01 -2.27 0.29 0.02 0.00 0.00 177.57 175.65 1fg9 n LYS 80 N -3.99 0.65 0.00 1.57 5.02 -0.47 -3.90 118.16 117.04 1fg9 n LYS 80 Ca -0.03 0.25 -0.21 0.00 -2.02 0.00 0.00 58.31 56.30 1fg9 n LYS 80 Cb 0.09 -1.58 -0.14 0.00 -0.02 0.00 0.00 35.03 33.39 1fg9 n LYS 80 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1fg9 n PHE 81 N -3.69 1.26 -0.39 2.13 7.35 0.01 -4.18 117.46 119.94 1fg9 n PHE 81 Ca -0.44 0.28 0.07 0.00 -0.76 0.00 0.00 57.45 56.60 1fg9 n PHE 81 Cb 0.94 -1.16 0.32 0.00 0.35 0.00 0.00 39.48 39.93 1fg9 n PHE 81 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 1fg9 n PHE 82 N -3.53 1.44 -4.04 -5.13 3.72 -0.28 -4.94 117.46 104.70 1fg9 n PHE 82 Ca -0.32 -0.55 -0.28 0.00 -0.05 0.00 0.00 57.45 56.26 1fg9 n PHE 82 Cb 1.03 -0.29 -0.08 0.00 -0.94 0.00 0.00 39.48 39.20 1fg9 n PHE 82 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1fg9 n ASN 83 N 0.83 0.39 -1.22 4.37 2.85 -1.10 -0.03 115.26 121.36 1fg9 n ASN 83 Ca 0.23 -1.07 -0.13 0.00 -0.11 0.00 0.00 54.58 53.49 1fg9 n ASN 83 Cb 0.87 -1.34 -0.06 0.00 1.24 0.00 0.00 39.78 40.49 1fg9 n ASN 83 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1fg9 n SER 84 N -2.31 -4.10 -4.43 1.20 7.64 -1.14 -4.89 113.62 105.60 1fg9 n SER 84 Ca -0.21 0.32 -0.44 0.00 1.01 0.00 0.00 58.87 59.55 1fg9 n SER 84 Cb 0.55 -3.55 -0.03 0.00 -1.01 0.00 0.00 64.21 60.18 1fg9 n SER 84 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1fg9 s ASN 85 N -2.17 6.48 0.41 6.43 3.84 0.96 -4.92 114.94 125.97 1fg9 s ASN 85 Ca 0.00 -1.80 0.24 0.00 0.21 0.00 0.00 52.86 51.50 1fg9 s ASN 85 Cb 0.00 -2.37 1.27 0.00 -0.55 0.00 0.00 41.25 39.60 1fg9 s ASN 85 CO 0.00 -1.10 1.68 0.50 -2.79 0.00 0.00 177.10 175.39 1fg9 h LYS 86 N 8.93 0.22 0.20 0.43 3.64 -1.90 -1.10 116.57 127.00 1fg9 h LYS 86 Ca -0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1fg9 h LYS 86 Cb 1.05 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1fg9 h LYS 86 CO 1.09 0.14 -0.10 0.87 -2.27 0.00 0.00 179.45 179.18 1fg9 h LYS 87 N 0.22 -0.26 -0.52 1.90 1.57 -1.95 -2.50 116.57 115.03 1fg9 h LYS 87 Ca 0.73 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.61 1fg9 h LYS 87 Cb 2.07 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 34.35 1fg9 h LYS 87 CO -0.41 -0.18 -0.19 1.17 -0.57 0.00 0.00 179.45 179.28 1fg9 n LYS 88 N -2.88 -0.11 0.32 3.15 4.81 -0.44 0.15 118.16 123.15 1fg9 n LYS 88 Ca -0.03 0.80 -0.17 0.00 -0.87 0.00 0.00 58.31 58.03 1fg9 n LYS 88 Cb 0.11 -1.19 -0.09 0.00 0.02 0.00 0.00 35.03 33.88 1fg9 n LYS 88 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 1fg9 h ARG 89 N 0.00 -0.88 -0.96 1.64 9.65 -1.52 -0.37 114.38 121.94 1fg9 h ARG 89 Ca 0.19 0.06 0.09 0.00 -1.10 0.00 0.00 59.98 59.22 1fg9 h ARG 89 Cb 0.32 0.20 -0.07 0.00 -1.39 0.00 0.00 29.97 29.03 1fg9 h ARG 89 CO -0.52 -0.59 0.62 -0.44 2.80 0.00 0.00 179.97 181.84 1fg9 h ASP 90 N -0.91 0.92 0.24 -3.80 3.32 0.18 0.25 116.42 116.62 1fg9 h ASP 90 Ca -0.07 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1fg9 h ASP 90 Cb 0.76 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1fg9 h ASP 90 CO 0.04 0.55 -0.11 0.44 -1.72 0.00 0.00 179.24 178.43 1fg9 h ASP 91 N 1.02 -0.27 -0.55 6.45 3.32 -0.56 -2.34 116.42 123.48 1fg9 h ASP 91 Ca 0.44 -0.17 0.09 0.00 0.02 0.00 0.00 57.03 57.41 1fg9 h ASP 91 Cb 0.33 0.07 -0.11 0.00 0.22 0.00 0.00 39.33 39.85 1fg9 h ASP 91 CO -0.19 0.03 -0.39 0.15 -1.72 0.00 0.00 179.24 177.12 1fg9 h PHE 92 N -0.59 -1.11 -0.21 4.55 3.04 -0.25 -1.56 116.94 120.81 1fg9 h PHE 92 Ca -0.03 0.08 0.03 0.00 3.98 0.00 0.00 57.97 62.03 1fg9 h PHE 92 Cb 0.43 0.57 -0.06 0.00 2.56 0.00 0.00 35.95 39.44 1fg9 h PHE 92 CO 0.01 -0.41 -0.50 0.93 -2.02 0.00 0.00 178.31 176.33 1fg9 h GLU 93 N -0.21 -0.45 -0.75 1.11 5.08 -0.49 -1.17 114.58 117.70 1fg9 h GLU 93 Ca 0.20 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.70 1fg9 h GLU 93 Cb 0.56 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.78 1fg9 h GLU 93 CO -0.66 -0.30 -0.40 -0.22 -1.00 0.00 0.00 179.01 176.43 1fg9 h LYS 94 N -0.46 -0.11 -0.34 2.33 3.64 -0.74 0.32 116.57 121.20 1fg9 h LYS 94 Ca 0.04 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1fg9 h LYS 94 Cb 0.59 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.41 1fg9 h LYS 94 CO -0.45 -0.08 0.23 -0.07 -2.27 0.00 0.00 179.45 176.82 1fg9 h LEU 95 N -0.12 0.28 -0.37 5.20 4.07 -0.62 -0.47 115.31 123.28 1fg9 h LEU 95 Ca 0.25 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.21 1fg9 h LEU 95 Cb 0.56 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1fg9 h LEU 95 CO -0.80 0.20 0.00 0.71 -1.08 0.00 0.00 178.44 177.46 1fg9 h THR 96 N 0.33 0.00 -3.45 0.22 1.35 0.80 -3.37 112.91 108.78 1fg9 h THR 96 Ca 0.14 -0.74 -0.70 0.00 -0.55 0.00 0.00 66.41 64.56 1fg9 h THR 96 Cb 0.15 1.72 -0.36 0.00 -1.73 0.00 0.00 68.15 67.94 1fg9 h THR 96 CO -0.03 0.00 -0.27 0.20 -0.25 0.00 0.00 175.52 175.17 1fg9 s ASN 97 N -5.65 5.50 -0.10 5.36 0.01 -0.19 -5.00 114.94 114.88 1fg9 s ASN 97 Ca 0.06 -3.22 -0.03 0.00 -0.71 0.00 0.00 52.86 48.96 1fg9 s ASN 97 Cb 0.08 -1.87 0.05 0.00 0.41 0.00 0.00 41.25 39.91 1fg9 s ASN 97 CO 0.61 -0.29 0.11 -0.31 -1.51 0.00 0.00 177.10 175.71 1fg9 s TYR 98 N -0.60 0.01 -0.45 2.20 2.02 -1.26 -4.89 117.35 114.37 1fg9 s TYR 98 Ca 0.21 0.19 -0.27 0.00 -0.37 0.00 0.00 57.07 56.84 1fg9 s TYR 98 Cb -0.15 -0.47 -0.07 0.00 -0.40 0.00 0.00 41.96 40.87 1fg9 s TYR 98 CO -0.07 -0.33 2.39 0.45 -1.57 0.00 0.00 175.55 176.42 1fg9 n SER 99 N 5.30 2.46 0.00 2.29 2.88 -1.26 -4.72 113.62 120.57 1fg9 n SER 99 Ca -0.05 -0.38 0.02 0.00 -1.33 0.00 0.00 58.87 57.14 1fg9 n SER 99 Cb 0.50 -1.57 0.11 0.00 -0.75 0.00 0.00 64.21 62.50 1fg9 n SER 99 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1fg9 n VAL 100 N 7.95 0.00 0.00 2.46 3.14 -1.26 -1.37 118.33 129.25 1fg9 n VAL 100 Ca 0.36 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.74 1fg9 n VAL 100 Cb 0.52 -0.67 0.00 0.00 -1.06 0.00 0.00 33.84 32.63 1fg9 n VAL 100 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1fg9 n THR 101 N -0.78 0.00 -1.60 1.55 -2.24 -1.26 -4.84 114.28 105.11 1fg9 n THR 101 Ca 0.03 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 1fg9 n THR 101 Cb 0.01 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1fg9 n THR 101 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1fg9 n ASP 102 N -1.23 3.35 0.32 3.42 -0.08 -0.47 -4.80 116.55 117.06 1fg9 n ASP 102 Ca 0.00 0.34 0.16 0.00 -1.51 0.00 0.00 54.79 53.79 1fg9 n ASP 102 Cb 0.00 -1.53 0.86 0.00 2.34 0.00 0.00 41.12 42.79 1fg9 n ASP 102 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 1fg9 h LEU 103 N 14.07 0.00 0.08 -2.67 7.12 -1.93 0.46 115.31 132.44 1fg9 h LEU 103 Ca -0.42 0.00 -0.33 0.00 0.13 0.00 0.00 57.88 57.27 1fg9 h LEU 103 Cb 1.25 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.35 1fg9 h LEU 103 CO 0.96 0.00 -1.79 0.78 -0.13 0.00 0.00 178.44 178.26 1fg9 h ASN 104 N 0.00 0.26 -0.49 1.25 4.21 -1.95 -3.34 115.58 115.52 1fg9 h ASN 104 Ca 0.00 -0.53 -0.02 0.00 1.21 0.00 0.00 56.30 56.97 1fg9 h ASN 104 Cb 0.51 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.60 1fg9 h ASN 104 CO 0.00 1.47 0.25 0.58 -1.29 0.00 0.00 177.43 178.44 1fg9 h VAL 105 N 0.05 1.18 0.00 2.81 2.07 -1.23 -0.01 116.25 121.12 1fg9 h VAL 105 Ca -0.33 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1fg9 h VAL 105 Cb 2.02 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1fg9 h VAL 105 CO 0.10 0.21 0.00 0.06 0.02 0.00 0.00 177.57 177.96 1fg9 h GLN 106 N 0.74 0.00 0.00 1.57 3.07 -1.53 -2.16 115.11 116.80 1fg9 h GLN 106 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.92 1fg9 h GLN 106 Cb 0.08 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.64 1fg9 h GLN 106 CO -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 178.83 178.88 1fg9 h ARG 107 N 0.00 0.00 -0.68 0.06 3.08 -1.16 -2.37 114.38 113.31 1fg9 h ARG 107 Ca 0.00 0.00 0.14 0.00 0.07 0.00 0.00 59.98 60.19 1fg9 h ARG 107 Cb 0.61 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.56 1fg9 h ARG 107 CO 0.00 0.79 0.14 -0.22 -1.07 0.00 0.00 179.97 179.61 1fg9 h LYS 108 N -1.00 0.24 -0.51 0.04 3.64 -1.30 0.24 116.57 117.91 1fg9 h LYS 108 Ca -0.00 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1fg9 h LYS 108 Cb 0.79 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 1fg9 h LYS 108 CO -0.00 0.16 -0.12 0.00 -2.27 0.00 0.00 179.45 177.22 1fg9 h ALA 109 N 1.57 0.71 0.00 5.00 0.00 -1.48 -1.98 119.26 123.07 1fg9 h ALA 109 Ca 0.37 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1fg9 h ALA 109 Cb 0.61 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1fg9 h ALA 109 CO -0.48 0.62 -0.05 0.82 0.00 0.00 0.00 179.25 180.16 1fg9 h ILE 110 N 0.85 0.24 0.12 0.00 1.08 -0.51 -2.18 117.51 117.11 1fg9 h ILE 110 Ca 0.13 -0.36 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 1fg9 h ILE 110 Cb 0.68 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.72 1fg9 h ILE 110 CO 0.05 0.05 -0.06 -0.74 -0.69 0.00 0.00 178.15 176.76 1fg9 h HIS 111 N 0.00 -0.15 0.00 1.37 2.76 0.09 -3.28 115.15 115.95 1fg9 h HIS 111 Ca -0.00 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1fg9 h HIS 111 Cb 0.28 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.29 1fg9 h HIS 111 CO 0.00 0.33 0.00 0.39 -1.30 0.00 0.00 177.93 177.35 1fg9 n GLU 112 N -4.87 0.91 0.17 5.26 1.02 -0.88 -4.25 120.64 118.01 1fg9 n GLU 112 Ca -0.07 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.00 1fg9 n GLU 112 Cb 0.27 -1.32 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 1fg9 n GLU 112 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1fg9 h LEU 113 N 0.06 -0.36 -0.72 -4.62 5.85 -1.47 -1.07 115.31 112.98 1fg9 h LEU 113 Ca 0.00 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.88 1fg9 h LEU 113 Cb 0.32 0.09 -0.13 0.00 0.37 0.00 0.00 40.66 41.31 1fg9 h LEU 113 CO 0.00 -0.22 -0.10 0.40 -0.34 0.00 0.00 178.44 178.18 1fg9 h ILE 114 N -0.51 0.32 -0.90 4.05 2.04 -1.84 0.91 117.51 121.57 1fg9 h ILE 114 Ca -0.04 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1fg9 h ILE 114 Cb 0.33 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 1fg9 h ILE 114 CO 0.07 0.01 0.55 1.56 0.00 0.00 0.00 178.15 180.34 1fg9 h GLN 115 N 0.04 1.22 0.52 2.37 4.20 -1.83 -0.40 115.11 121.24 1fg9 h GLN 115 Ca 0.37 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.94 1fg9 h GLN 115 Cb 0.60 -0.26 0.01 0.00 0.30 0.00 0.00 27.48 28.12 1fg9 h GLN 115 CO -0.69 0.86 -0.25 0.28 -0.67 0.00 0.00 178.83 178.35 1fg9 h VAL 116 N 1.24 0.41 0.00 -0.54 2.07 0.19 -2.53 116.25 117.09 1fg9 h VAL 116 Ca 0.32 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1fg9 h VAL 116 Cb -0.06 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1fg9 h VAL 116 CO -0.06 0.04 0.00 0.80 0.02 0.00 0.00 177.57 178.37 1fg9 n MET 117 N -5.32 0.06 -0.32 1.57 0.00 0.22 -0.87 117.12 112.47 1fg9 n MET 117 Ca -0.11 0.27 0.06 0.00 -0.00 0.00 0.00 57.70 57.91 1fg9 n MET 117 Cb 0.32 -1.50 0.21 0.00 0.00 0.00 0.00 33.22 32.25 1fg9 n MET 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1fg9 n ALA 118 N -1.32 2.73 -1.46 -5.12 0.00 -0.18 -4.31 120.51 110.84 1fg9 n ALA 118 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1fg9 n ALA 118 Cb 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1fg9 n ALA 118 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1fg9 n GLU 119 N 0.63 0.00 -0.10 0.00 4.07 -0.05 -4.88 120.64 120.33 1fg9 n GLU 119 Ca 0.15 -0.06 0.11 0.00 -0.06 0.00 0.00 57.16 57.30 1fg9 n GLU 119 Cb 0.51 -0.27 0.33 0.00 -0.06 0.00 0.00 31.44 31.95 1fg9 n GLU 119 CO 0.00 0.00 0.00 1.47 -0.06 0.00 0.00 177.13 178.54 1fg9 n LEU 120 N 0.00 2.21 -4.62 4.31 -0.00 -1.20 -4.76 117.00 112.94 1fg9 n LEU 120 Ca 0.00 -0.90 -0.42 0.00 -0.00 0.00 0.00 56.01 54.69 1fg9 n LEU 120 Cb 0.31 -0.13 -0.04 0.00 -0.00 0.00 0.00 43.42 43.56 1fg9 n LEU 120 CO 0.00 0.45 0.64 -0.55 -0.00 0.00 0.00 177.39 177.93 1fg9 s SER 121 N -1.62 6.70 -0.39 1.45 0.15 -1.26 -4.94 113.70 113.79 1fg9 s SER 121 Ca 0.34 0.70 -0.35 0.00 0.70 0.00 0.00 55.95 57.34 1fg9 s SER 121 Cb 0.19 -2.43 -0.15 0.00 -1.71 0.00 0.00 66.02 61.92 1fg9 s SER 121 CO 0.28 -0.66 1.57 -0.81 1.20 0.00 0.00 173.24 174.83 1fg9 n PRO 122 N 6.31 0.00 -4.07 5.44 -0.04 -1.26 -4.92 135.00 136.46 1fg9 n PRO 122 Ca 0.05 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.20 1fg9 n PRO 122 Cb 0.48 -1.18 -0.07 0.00 -0.04 0.00 0.00 33.50 32.69 1fg9 n PRO 122 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1fg9 s ALA 123 N 4.10 3.52 -0.39 0.55 0.00 -1.26 -5.10 121.76 123.18 1fg9 s ALA 123 Ca 0.91 -1.01 0.07 0.00 0.00 0.00 0.00 51.96 51.93 1fg9 s ALA 123 Cb -1.18 -1.41 0.18 0.00 0.00 0.00 0.00 23.12 20.71 1fg9 s ALA 123 CO 0.55 0.74 0.65 0.00 0.00 0.00 0.00 175.76 177.70 1fg9 s ALA 124 N -1.35 -2.50 -0.45 0.00 0.00 -1.26 -5.09 121.76 111.12 1fg9 s ALA 124 Ca 0.28 0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.68 1fg9 s ALA 124 Cb -0.12 -2.73 0.18 0.00 0.00 0.00 0.00 23.12 20.45 1fg9 s ALA 124 CO 0.20 -2.19 0.59 0.21 0.00 0.00 0.00 175.76 174.58 1fg9 s LYS 125 N 1.97 0.90 0.00 0.00 2.36 -1.26 -5.35 119.74 118.36 1fg9 s LYS 125 Ca 0.15 -0.88 0.00 0.00 -2.55 0.00 0.00 55.97 52.70 1fg9 s LYS 125 Cb -0.04 -0.27 0.00 0.00 -1.05 0.00 0.00 37.83 36.47 1fg9 s LYS 125 CO -0.10 -1.27 0.00 -2.37 1.55 0.00 0.00 175.35 173.17