#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 2.60 -1.48 0.03 10.64 -1.26 -4.87 117.38 123.04 1fg9 n GLN 1 Ca 0.00 0.92 -0.54 0.00 -1.83 0.00 0.00 57.00 55.55 1fg9 n GLN 1 Cb 0.00 -2.68 -0.06 0.00 -0.86 0.00 0.00 30.24 26.64 1fg9 n GLN 1 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1fg9 n ASP 2 N 1.94 -0.22 -0.28 2.61 -0.08 -1.26 -4.79 116.55 114.47 1fg9 n ASP 2 Ca 0.08 1.15 0.21 0.00 -1.51 0.00 0.00 54.79 54.72 1fg9 n ASP 2 Cb 0.36 -0.97 0.39 0.00 2.34 0.00 0.00 41.12 43.25 1fg9 n ASP 2 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1fg9 n PRO 3 N 1.39 -0.06 0.04 -0.67 -0.02 -1.26 -1.94 135.00 132.48 1fg9 n PRO 3 Ca 0.19 1.19 -0.05 0.00 -2.02 0.00 0.00 63.50 62.81 1fg9 n PRO 3 Cb 0.15 -2.04 0.15 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.49 -0.89 6.00 -0.00 -1.89 -3.26 116.97 117.43 1fg9 h TYR 4 Ca 0.63 -0.14 0.16 0.00 0.00 0.00 0.00 58.73 59.38 1fg9 h TYR 4 Cb 1.54 -0.10 -0.10 0.00 0.00 0.00 0.00 36.73 38.07 1fg9 h TYR 4 CO -0.17 0.78 0.47 -0.39 -0.00 0.00 0.00 178.16 178.84 1fg9 h VAL 5 N 0.34 0.70 0.12 -0.90 -1.51 -1.73 0.40 116.25 113.66 1fg9 h VAL 5 Ca 0.03 -0.22 0.02 0.00 -1.23 0.00 0.00 66.70 65.30 1fg9 h VAL 5 Cb 0.90 0.01 -0.04 0.00 -2.13 0.00 0.00 31.29 30.03 1fg9 h VAL 5 CO 0.08 0.12 -0.36 0.50 -1.23 0.00 0.00 177.57 176.67 1fg9 h LYS 6 N 0.63 -0.57 0.00 5.19 3.64 -1.73 0.20 116.57 123.93 1fg9 h LYS 6 Ca 0.50 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.87 1fg9 h LYS 6 Cb 0.74 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.69 1fg9 h LYS 6 CO -0.38 -0.38 -0.22 0.93 -2.27 0.00 0.00 179.45 177.12 1fg9 h GLU 7 N -0.59 0.00 -0.13 1.90 4.39 -1.43 -0.04 114.58 118.68 1fg9 h GLU 7 Ca 0.03 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.62 1fg9 h GLU 7 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 1fg9 h GLU 7 CO -0.21 0.22 -0.33 0.00 -1.16 0.00 0.00 179.01 177.53 1fg9 h ALA 8 N 1.78 0.22 -0.07 3.43 0.00 0.91 -1.42 119.26 124.11 1fg9 h ALA 8 Ca -0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.36 1fg9 h ALA 8 Cb 0.44 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1fg9 h ALA 8 CO 0.03 0.27 -0.48 0.93 0.00 0.00 0.00 179.25 180.00 1fg9 h GLU 9 N 0.06 0.18 0.46 0.00 5.08 -0.25 -0.26 114.58 119.85 1fg9 h GLU 9 Ca -0.00 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1fg9 h GLU 9 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1fg9 h GLU 9 CO 0.07 0.62 -0.24 -0.97 -1.00 0.00 0.00 179.01 177.49 1fg9 h ASN 10 N 0.14 -0.59 -0.67 1.42 -0.00 -0.90 -0.58 115.58 114.41 1fg9 h ASN 10 Ca 0.01 0.03 0.09 0.00 -0.00 0.00 0.00 56.30 56.42 1fg9 h ASN 10 Cb 0.90 0.16 -0.07 0.00 -0.00 0.00 0.00 38.32 39.31 1fg9 h ASN 10 CO 0.07 -0.40 0.32 -0.07 -0.00 0.00 0.00 177.43 177.35 1fg9 h LEU 11 N -0.65 0.40 -0.92 0.34 3.38 -1.00 -0.73 115.31 116.13 1fg9 h LEU 11 Ca -0.06 0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.18 1fg9 h LEU 11 Cb 0.51 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.14 1fg9 h LEU 11 CO 0.09 0.23 0.47 0.50 0.09 0.00 0.00 178.44 179.82 1fg9 h LYS 12 N 0.55 0.51 0.24 1.13 3.64 -0.08 0.92 116.57 123.48 1fg9 h LYS 12 Ca 0.33 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 1fg9 h LYS 12 Cb 0.35 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1fg9 h LYS 12 CO -0.27 0.34 -0.12 0.87 -2.27 0.00 0.00 179.45 178.00 1fg9 h LYS 13 N 0.53 -0.32 -0.79 1.90 1.57 0.37 -1.10 116.57 118.73 1fg9 h LYS 13 Ca 0.56 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 59.52 1fg9 h LYS 13 Cb 1.00 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 33.23 1fg9 h LYS 13 CO -0.47 0.03 -0.22 -0.92 -0.57 0.00 0.00 179.45 177.31 1fg9 h TYR 14 N -0.74 -0.50 0.00 -1.35 3.20 -0.63 1.10 116.97 118.05 1fg9 h TYR 14 Ca -0.03 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1fg9 h TYR 14 Cb 0.50 0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.11 1fg9 h TYR 14 CO 0.04 -0.35 0.00 1.19 -1.64 0.00 0.00 178.16 177.40 1fg9 n PHE 15 N -5.51 0.32 -3.36 -3.82 3.01 0.17 -4.91 117.46 103.36 1fg9 n PHE 15 Ca 0.11 0.10 -0.16 0.00 1.01 0.00 0.00 57.45 58.51 1fg9 n PHE 15 Cb 0.40 -0.67 0.09 0.00 -0.01 0.00 0.00 39.48 39.29 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 -1.77 -2.12 -0.04 4.37 5.15 0.38 -4.93 115.26 116.30 1fg9 n ASN 16 Ca 0.05 -0.59 0.12 0.00 -0.60 0.00 0.00 54.58 53.57 1fg9 n ASN 16 Cb 0.31 -4.88 0.30 0.00 -0.53 0.00 0.00 39.78 34.97 1fg9 n ASN 16 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1fg9 n ALA 17 N -3.98 3.39 -0.42 5.20 0.00 -0.50 -4.26 120.51 119.94 1fg9 n ALA 17 Ca -0.27 -0.34 -0.15 0.00 0.00 0.00 0.00 53.44 52.68 1fg9 n ALA 17 Cb 0.66 -1.15 0.11 0.00 0.00 0.00 0.00 19.45 19.07 1fg9 n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fg9 n GLY 18 N 1.47 3.60 3.67 0.00 0.00 -1.26 -4.70 105.19 107.97 1fg9 n GLY 18 Ca 0.07 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 1fg9 n GLY 18 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1fg9 s HIS 19 N -2.08 3.09 0.04 1.61 5.04 -1.26 -5.03 115.29 116.70 1fg9 s HIS 19 Ca 0.36 0.11 -0.07 0.00 -1.54 0.00 0.00 55.06 53.92 1fg9 s HIS 19 Cb 0.30 -1.72 -0.00 0.00 0.04 0.00 0.00 32.58 31.20 1fg9 s HIS 19 CO 0.07 0.45 0.38 0.43 -2.34 0.00 0.00 174.74 173.72 1fg9 n SER 20 N 1.79 -0.24 -0.32 9.88 7.64 -1.26 -1.23 113.62 129.88 1fg9 n SER 20 Ca -0.17 0.44 0.21 0.00 1.01 0.00 0.00 58.87 60.36 1fg9 n SER 20 Cb 0.53 -0.07 0.42 0.00 -1.01 0.00 0.00 64.21 64.09 1fg9 n SER 20 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1fg9 h ASP 21 N 0.00 0.23 -0.63 6.43 3.32 -1.95 -0.25 116.42 123.57 1fg9 h ASP 21 Ca 0.05 0.22 0.18 0.00 0.02 0.00 0.00 57.03 57.50 1fg9 h ASP 21 Cb 0.11 0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1fg9 h ASP 21 CO -0.23 -0.22 0.47 1.62 -1.72 0.00 0.00 179.24 179.15 1fg9 h VAL 22 N 0.20 0.64 0.00 -1.35 3.04 -1.45 0.36 116.25 117.69 1fg9 h VAL 22 Ca 0.69 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.38 1fg9 h VAL 22 Cb 1.57 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 1fg9 h VAL 22 CO -0.68 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 175.88 1fg9 h ALA 23 N 1.65 1.00 -2.72 3.17 0.00 -1.21 -3.45 119.26 117.70 1fg9 h ALA 23 Ca 0.30 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.70 1fg9 h ALA 23 Cb 1.24 0.00 0.07 0.00 0.00 0.00 0.00 17.79 19.10 1fg9 h ALA 23 CO -0.00 0.00 0.50 -0.51 0.00 0.00 0.00 179.25 179.23 1fg9 s ASP 24 N -5.26 6.09 -0.31 0.00 1.01 0.13 -4.57 116.67 113.75 1fg9 s ASP 24 Ca 0.01 2.35 -0.11 0.00 0.71 0.00 0.00 52.55 55.51 1fg9 s ASP 24 Cb 0.09 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.43 1fg9 s ASP 24 CO 0.48 -0.98 0.42 0.59 0.21 0.00 0.00 175.17 175.90 1fg9 n ASN 25 N -0.54 -6.16 0.00 0.27 4.13 -1.26 -4.93 115.26 106.77 1fg9 n ASN 25 Ca 0.08 0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.70 1fg9 n ASN 25 Cb 0.48 -4.08 0.00 0.00 -1.54 0.00 0.00 39.78 34.64 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 -0.41 0.71 2.88 7.41 0.00 -1.26 -4.78 105.19 109.75 1fg9 n GLY 26 Ca 0.08 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.00 0.00 2.61 -4.23 -1.26 -5.00 115.64 107.77 1fg9 s THR 27 Ca 0.00 0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.46 1fg9 s THR 27 Cb 0.00 -0.03 -0.03 0.00 1.34 0.00 0.00 72.50 73.78 1fg9 s THR 27 CO 0.00 0.00 0.86 -0.07 -0.54 0.00 0.00 174.62 174.87 1fg9 h LEU 28 N 6.17 -0.18 0.00 4.79 3.38 -2.00 -3.43 115.31 124.05 1fg9 h LEU 28 Ca -0.25 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1fg9 h LEU 28 Cb 1.21 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1fg9 h LEU 28 CO 0.50 -0.10 0.00 0.49 0.09 0.00 0.00 178.44 179.42 1fg9 n PHE 29 N -2.68 0.00 0.00 1.13 3.72 -1.26 -4.62 117.46 113.75 1fg9 n PHE 29 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1fg9 n PHE 29 Cb 0.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 -1.07 0.00 -0.02 4.37 4.77 -1.26 0.23 117.00 124.02 1fg9 n LEU 30 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.82 1fg9 n LEU 30 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1fg9 n LEU 30 CO 0.00 0.00 0.34 1.23 -1.33 0.00 0.00 177.39 177.63 1fg9 h GLY 31 N 0.00 0.27 0.80 -0.72 0.00 -1.85 -2.88 103.07 98.69 1fg9 h GLY 31 Ca 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 46.87 1fg9 h GLY 31 CO 0.00 0.43 0.02 -2.22 0.00 0.00 0.00 176.54 174.77 1fg9 h ILE 32 N -0.39 0.92 0.00 2.60 2.04 -0.47 0.23 117.51 122.44 1fg9 h ILE 32 Ca -0.05 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1fg9 h ILE 32 Cb 1.12 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.01 1fg9 h ILE 32 CO 0.07 0.02 0.00 0.25 0.00 0.00 0.00 178.15 178.49 1fg9 h LEU 33 N 0.09 0.00 0.00 1.44 5.85 -1.57 -1.21 115.31 119.92 1fg9 h LEU 33 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1fg9 h LEU 33 Cb 0.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1fg9 h LEU 33 CO -0.11 0.00 -0.56 0.50 -0.34 0.00 0.00 178.44 177.93 1fg9 h LYS 34 N 0.00 0.00 -0.00 1.25 3.64 -0.31 -3.22 116.57 117.93 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 0.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1fg9 h LYS 34 CO 0.00 0.00 -0.01 0.09 -2.27 0.00 0.00 179.45 177.26 1fg9 n ASN 35 N -2.70 0.03 -3.93 4.20 3.02 -0.46 -4.74 115.26 110.68 1fg9 n ASN 35 Ca 0.02 0.10 -0.28 0.00 -0.03 0.00 0.00 54.58 54.39 1fg9 n ASN 35 Cb 0.52 -0.35 -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 1.70 -0.05 3.10 0.52 -1.22 -4.97 118.94 115.27 1fg9 s TRP 36 Ca 0.22 -0.93 0.09 0.00 0.02 0.00 0.00 56.10 55.51 1fg9 s TRP 36 Cb 0.20 -1.34 -0.14 0.00 -1.15 0.00 0.00 33.47 31.04 1fg9 s TRP 36 CO 0.49 -0.57 0.22 1.63 0.02 0.00 0.00 176.95 178.74 1fg9 n LYS 37 N 4.89 0.61 -2.22 4.98 4.01 -1.26 -4.59 118.16 124.58 1fg9 n LYS 37 Ca -0.13 -0.08 -0.43 0.00 -0.51 0.00 0.00 58.31 57.16 1fg9 n LYS 37 Cb 0.49 -1.20 -0.02 0.00 -0.51 0.00 0.00 35.03 33.79 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 -2.58 4.08 0.31 1.97 2.56 -1.26 -4.88 118.70 118.90 1fg9 s GLU 38 Ca -0.03 1.78 0.06 0.00 0.00 0.00 0.00 54.97 56.78 1fg9 s GLU 38 Cb 0.06 -3.91 0.85 0.00 2.00 0.00 0.00 34.13 33.13 1fg9 s GLU 38 CO 0.39 -0.94 1.61 1.49 -0.56 0.00 0.00 175.26 177.25 1fg9 h GLU 39 N 9.34 0.11 0.26 4.30 4.57 -1.98 -0.89 114.58 130.28 1fg9 h GLU 39 Ca -0.32 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 57.86 1fg9 h GLU 39 Cb 1.14 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.67 1fg9 h GLU 39 CO 0.98 0.07 -0.45 1.03 -1.18 0.00 0.00 179.01 179.46 1fg9 h SER 40 N 0.11 -1.28 -0.24 1.04 0.87 -1.99 -0.39 113.55 111.67 1fg9 h SER 40 Ca 0.63 0.13 0.04 0.00 -1.23 0.00 0.00 61.79 61.35 1fg9 h SER 40 Cb 1.37 0.46 -0.04 0.00 -0.44 0.00 0.00 62.40 63.75 1fg9 h SER 40 CO -0.76 -0.55 0.01 0.44 -0.53 0.00 0.00 176.83 175.44 1fg9 h ASP 41 N -0.77 -0.07 -1.10 6.23 5.19 -1.61 0.21 116.42 124.49 1fg9 h ASP 41 Ca -0.01 0.05 0.30 0.00 -0.62 0.00 0.00 57.03 56.75 1fg9 h ASP 41 Cb 0.74 0.09 -0.08 0.00 0.18 0.00 0.00 39.33 40.26 1fg9 h ASP 41 CO -0.18 -0.01 0.73 0.03 -3.12 0.00 0.00 179.24 176.70 1fg9 h ARG 42 N 0.09 0.24 0.00 3.56 3.08 -0.88 0.75 114.38 121.23 1fg9 h ARG 42 Ca 0.11 -0.01 -0.18 0.00 0.07 0.00 0.00 59.98 59.96 1fg9 h ARG 42 Cb 0.14 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1fg9 h ARG 42 CO -0.18 0.16 -0.88 0.87 -1.07 0.00 0.00 179.97 178.87 1fg9 h LYS 43 N 0.25 0.00 0.00 0.04 1.79 0.11 0.78 116.57 119.54 1fg9 h LYS 43 Ca 0.60 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 1fg9 h LYS 43 Cb 1.81 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.46 1fg9 h LYS 43 CO -0.22 0.88 0.00 0.44 -1.08 0.00 0.00 179.45 179.47 1fg9 n ILE 44 N -3.43 0.84 -0.13 1.86 -5.35 0.26 -2.30 119.36 111.11 1fg9 n ILE 44 Ca -0.00 0.23 -0.27 0.00 -0.27 0.00 0.00 62.75 62.45 1fg9 n ILE 44 Cb 0.85 -1.15 -0.09 0.00 -1.74 0.00 0.00 39.64 37.51 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 -2.18 0.54 -0.01 6.28 2.81 -0.99 -4.33 117.12 119.25 1fg9 n MET 45 Ca 0.02 0.23 0.22 0.00 -1.81 0.00 0.00 57.70 56.36 1fg9 n MET 45 Cb 0.22 -1.41 0.71 0.00 -0.71 0.00 0.00 33.22 32.03 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 -0.84 0.00 0.33 0.03 4.20 -0.85 -0.89 115.11 117.09 1fg9 h GLN 46 Ca -0.64 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.06 1fg9 h GLN 46 Cb 1.59 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.37 1fg9 h GLN 46 CO -0.37 0.00 -0.19 1.03 -0.67 0.00 0.00 178.83 178.64 1fg9 h SER 47 N 0.00 -0.46 -0.32 1.46 0.87 -1.65 0.19 113.55 113.64 1fg9 h SER 47 Ca 0.27 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 1fg9 h SER 47 Cb 1.12 0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 1fg9 h SER 47 CO -0.00 -0.31 0.13 1.56 -0.53 0.00 0.00 176.83 177.68 1fg9 h GLN 48 N -0.49 0.55 -0.30 2.24 1.08 -1.40 -0.21 115.11 116.58 1fg9 h GLN 48 Ca -0.04 -0.08 -0.12 0.00 -1.45 0.00 0.00 58.65 56.97 1fg9 h GLN 48 Cb 0.40 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.71 1fg9 h GLN 48 CO 0.05 0.48 -0.30 0.82 -0.95 0.00 0.00 178.83 178.93 1fg9 h ILE 49 N 0.55 1.28 0.03 2.54 2.04 -0.71 -1.95 117.51 121.28 1fg9 h ILE 49 Ca 0.13 -1.41 -0.25 0.00 1.00 0.00 0.00 64.86 64.34 1fg9 h ILE 49 Cb 0.16 1.37 0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1fg9 h ILE 49 CO -0.01 0.45 -1.03 0.58 0.00 0.00 0.00 178.15 178.15 1fg9 h VAL 50 N 0.54 1.37 -0.24 1.67 2.07 0.12 -2.12 116.25 119.66 1fg9 h VAL 50 Ca 0.07 -2.47 -0.03 0.00 0.82 0.00 0.00 66.70 65.08 1fg9 h VAL 50 Cb 0.78 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1fg9 h VAL 50 CO 0.06 0.74 -0.00 0.77 0.02 0.00 0.00 177.57 179.16 1fg9 h SER 51 N 0.25 0.32 0.39 0.57 4.64 -1.01 0.76 113.55 119.46 1fg9 h SER 51 Ca -0.11 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.15 1fg9 h SER 51 Cb 1.68 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1fg9 h SER 51 CO 0.18 0.38 -0.19 0.15 -0.87 0.00 0.00 176.83 176.49 1fg9 h PHE 52 N 0.34 -0.48 -0.14 4.77 3.57 -1.20 0.01 116.94 123.81 1fg9 h PHE 52 Ca 0.08 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1fg9 h PHE 52 Cb 0.24 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1fg9 h PHE 52 CO 0.01 -0.16 0.18 1.88 -2.23 0.00 0.00 178.31 177.99 1fg9 h TYR 53 N -0.87 0.00 -0.12 0.41 0.05 -1.12 -1.30 116.97 114.01 1fg9 h TYR 53 Ca -0.05 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.65 1fg9 h TYR 53 Cb 0.54 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.29 1fg9 h TYR 53 CO 0.02 0.00 -0.23 0.74 -1.05 0.00 0.00 178.16 177.64 1fg9 h PHE 54 N 0.00 0.47 0.69 4.88 0.04 -0.13 -1.20 116.94 121.68 1fg9 h PHE 54 Ca 0.07 -0.17 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 1fg9 h PHE 54 Cb 0.42 -0.09 -0.00 0.00 2.20 0.00 0.00 35.95 38.48 1fg9 h PHE 54 CO 0.00 0.85 -0.42 0.87 -0.60 0.00 0.00 178.31 179.01 1fg9 h LYS 55 N -0.04 -1.00 -0.65 1.51 1.57 0.06 -2.62 116.57 115.39 1fg9 h LYS 55 Ca 0.01 0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1fg9 h LYS 55 Cb 0.82 0.23 -0.08 0.00 0.08 0.00 0.00 32.23 33.27 1fg9 h LYS 55 CO 0.05 -0.67 -0.38 -0.11 -0.57 0.00 0.00 179.45 177.77 1fg9 n LEU 56 N -5.56 -0.69 0.30 2.94 -0.00 -0.63 0.27 117.00 113.63 1fg9 n LEU 56 Ca -0.14 1.50 0.16 0.00 -0.00 0.00 0.00 56.01 57.54 1fg9 n LEU 56 Cb 0.44 -0.32 0.95 0.00 -0.00 0.00 0.00 43.42 44.49 1fg9 n LEU 56 CO 0.35 -1.12 1.14 -0.26 -0.00 0.00 0.00 177.39 177.50 1fg9 h PHE 57 N 0.00 0.00 -0.03 1.96 0.04 -1.23 -2.01 116.94 115.67 1fg9 h PHE 57 Ca 0.10 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.86 1fg9 h PHE 57 Cb 0.27 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.42 1fg9 h PHE 57 CO -0.99 0.00 -0.02 -0.22 -0.60 0.00 0.00 178.31 176.48 1fg9 h LYS 58 N 0.00 0.07 -0.74 1.51 3.64 0.21 -2.73 116.57 118.53 1fg9 h LYS 58 Ca 0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1fg9 h LYS 58 Cb 0.05 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1fg9 h LYS 58 CO -0.00 0.49 0.00 0.09 -2.27 0.00 0.00 179.45 177.76 1fg9 n ASN 59 N -4.82 0.81 -0.47 4.20 4.13 -0.35 -1.95 115.26 116.80 1fg9 n ASN 59 Ca -0.08 -1.34 0.00 0.00 1.68 0.00 0.00 54.58 54.84 1fg9 n ASN 59 Cb 0.25 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.15 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 0.22 0.00 0.10 3.10 3.72 -1.05 -4.84 117.46 118.72 1fg9 n PHE 60 Ca 0.00 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.47 1fg9 n PHE 60 Cb 0.19 0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 1fg9 n PHE 60 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1fg9 h LYS 61 N 0.00 0.00 0.00 -1.08 6.56 -1.21 -3.17 116.57 117.67 1fg9 h LYS 61 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1fg9 h LYS 61 Cb 1.29 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 1fg9 h LYS 61 CO 0.00 0.16 0.00 0.38 -2.06 0.00 0.00 179.45 177.93 1fg9 h ASP 62 N 0.00 0.00 -3.01 0.86 2.03 -1.88 -3.41 116.42 111.00 1fg9 h ASP 62 Ca -0.05 0.00 -0.61 0.00 -0.73 0.00 0.00 57.03 55.64 1fg9 h ASP 62 Cb 1.23 0.00 -0.06 0.00 -0.83 0.00 0.00 39.33 39.67 1fg9 h ASP 62 CO 0.02 0.00 -0.23 -0.62 -1.03 0.00 0.00 179.24 177.38 1fg9 s ASP 63 N -4.94 6.74 -0.20 4.15 2.15 -1.20 -5.00 116.67 118.36 1fg9 s ASP 63 Ca -0.02 0.88 0.05 0.00 0.43 0.00 0.00 52.55 53.89 1fg9 s ASP 63 Cb 0.10 -2.23 -0.21 0.00 -0.30 0.00 0.00 42.92 40.28 1fg9 s ASP 63 CO 0.40 0.30 0.02 0.00 -0.17 0.00 0.00 175.17 175.72 1fg9 n GLN 64 N 2.07 0.68 -0.26 4.34 10.64 -1.26 -4.34 117.38 129.24 1fg9 n GLN 64 Ca -0.14 0.15 0.28 0.00 -1.83 0.00 0.00 57.00 55.46 1fg9 n GLN 64 Cb 0.53 -1.58 0.66 0.00 -0.86 0.00 0.00 30.24 28.99 1fg9 n GLN 64 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1fg9 h SER 65 N 0.01 0.14 -0.25 2.61 4.64 -1.96 -2.36 113.55 116.39 1fg9 h SER 65 Ca -0.52 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1fg9 h SER 65 Cb 2.02 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.10 1fg9 h SER 65 CO -0.02 0.04 0.00 2.30 -0.87 0.00 0.00 176.83 178.28 1fg9 n ILE 66 N -4.35 0.90 0.15 0.95 -5.35 -1.26 -4.79 119.36 105.61 1fg9 n ILE 66 Ca 0.22 -0.95 -0.14 0.00 -0.27 0.00 0.00 62.75 61.61 1fg9 n ILE 66 Cb 1.00 0.57 -0.07 0.00 -1.74 0.00 0.00 39.64 39.40 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 1.63 -0.59 -1.00 6.28 1.08 -1.62 -1.50 115.11 119.39 1fg9 h GLN 67 Ca 0.00 0.04 0.22 0.00 -1.45 0.00 0.00 58.65 57.46 1fg9 h GLN 67 Cb 0.65 0.13 -0.10 0.00 -0.05 0.00 0.00 27.48 28.12 1fg9 h GLN 67 CO 0.00 -0.40 0.62 -0.22 -0.95 0.00 0.00 178.83 177.89 1fg9 h LYS 68 N -0.62 0.57 0.12 1.46 3.64 -1.87 -0.88 116.57 119.00 1fg9 h LYS 68 Ca 0.01 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1fg9 h LYS 68 Cb 0.61 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1fg9 h LYS 68 CO -0.16 0.38 -0.06 0.77 -2.27 0.00 0.00 179.45 178.11 1fg9 h SER 69 N 0.59 -0.13 0.01 4.20 0.02 -1.76 -1.82 113.55 114.65 1fg9 h SER 69 Ca 0.59 -0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.30 1fg9 h SER 69 Cb 1.16 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 1fg9 h SER 69 CO -0.36 0.15 -0.05 0.58 -1.14 0.00 0.00 176.83 176.01 1fg9 h VAL 70 N -0.42 1.09 -0.00 2.27 2.07 -0.20 0.11 116.25 121.16 1fg9 h VAL 70 Ca -0.02 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1fg9 h VAL 70 Cb 0.34 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1fg9 h VAL 70 CO 0.03 0.11 -0.10 1.05 0.02 0.00 0.00 177.57 178.68 1fg9 h GLU 71 N 0.11 0.07 -0.81 1.57 -0.00 -1.21 -2.80 114.58 111.50 1fg9 h GLU 71 Ca 0.03 -0.07 0.14 0.00 -0.00 0.00 0.00 59.36 59.45 1fg9 h GLU 71 Cb 0.16 0.02 -0.09 0.00 -0.00 0.00 0.00 28.75 28.84 1fg9 h GLU 71 CO 0.01 0.84 0.40 1.15 -0.00 0.00 0.00 179.01 181.41 1fg9 h THR 72 N -0.68 0.74 -0.13 -1.06 2.02 -0.75 0.12 112.91 113.17 1fg9 h THR 72 Ca -0.01 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1fg9 h THR 72 Cb 0.88 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1fg9 h THR 72 CO 0.02 0.11 0.04 0.40 0.37 0.00 0.00 175.52 176.45 1fg9 h ILE 73 N 0.59 1.18 -0.17 3.11 2.04 -0.88 -3.17 117.51 120.22 1fg9 h ILE 73 Ca 0.44 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1fg9 h ILE 73 Cb 0.60 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.94 1fg9 h ILE 73 CO -0.35 0.17 -0.31 0.11 0.00 0.00 0.00 178.15 177.77 1fg9 h LYS 74 N 0.01 -0.34 -0.53 2.37 1.57 -0.55 -1.21 116.57 117.90 1fg9 h LYS 74 Ca 0.04 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 58.95 1fg9 h LYS 74 Cb 0.23 0.08 -0.09 0.00 0.08 0.00 0.00 32.23 32.53 1fg9 h LYS 74 CO -0.00 -0.23 -0.00 1.49 -0.57 0.00 0.00 179.45 180.14 1fg9 h GLU 75 N -0.36 0.11 -0.37 3.15 4.57 -1.23 0.78 114.58 121.24 1fg9 h GLU 75 Ca 0.11 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.30 1fg9 h GLU 75 Cb 0.53 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.07 1fg9 h GLU 75 CO -0.37 0.07 0.24 0.22 -1.18 0.00 0.00 179.01 177.99 1fg9 h ASP 76 N 0.11 0.37 0.21 1.04 3.58 -1.39 0.28 116.42 120.63 1fg9 h ASP 76 Ca 0.27 -0.01 -0.15 0.00 0.42 0.00 0.00 57.03 57.56 1fg9 h ASP 76 Cb 0.41 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 1fg9 h ASP 76 CO -0.45 0.26 -0.57 -0.03 -2.88 0.00 0.00 179.24 175.58 1fg9 h MET 77 N 0.44 0.37 0.14 0.28 4.05 0.28 -0.66 114.93 119.82 1fg9 h MET 77 Ca 0.14 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.31 1fg9 h MET 77 Cb 0.04 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.87 1fg9 h MET 77 CO -0.03 0.84 -0.07 -0.97 0.23 0.00 0.00 176.91 176.91 1fg9 h ASN 78 N 0.29 -0.16 0.12 1.39 -0.73 0.71 0.30 115.58 117.50 1fg9 h ASN 78 Ca 0.00 -0.27 -0.01 0.00 1.87 0.00 0.00 56.30 57.90 1fg9 h ASN 78 Cb 1.08 0.04 -0.00 0.00 0.27 0.00 0.00 38.32 39.71 1fg9 h ASN 78 CO 0.10 0.20 -0.03 0.58 -0.37 0.00 0.00 177.43 177.90 1fg9 h VAL 79 N -0.53 0.47 0.03 2.57 2.07 -0.43 -0.88 116.25 119.55 1fg9 h VAL 79 Ca -0.02 -0.16 -0.39 0.00 0.82 0.00 0.00 66.70 66.95 1fg9 h VAL 79 Cb 0.41 1.11 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1fg9 h VAL 79 CO 0.03 0.03 -2.23 0.29 0.02 0.00 0.00 177.57 175.71 1fg9 n LYS 80 N -3.70 0.64 -0.01 1.57 5.02 -0.27 -3.82 118.16 117.60 1fg9 n LYS 80 Ca -0.03 0.26 -0.21 0.00 -2.02 0.00 0.00 58.31 56.31 1fg9 n LYS 80 Cb 0.13 -1.58 -0.14 0.00 -0.02 0.00 0.00 35.03 33.42 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 -3.75 1.21 -0.23 2.13 7.35 0.10 -4.07 117.46 120.20 1fg9 n PHE 81 Ca -0.44 0.27 0.07 0.00 -0.76 0.00 0.00 57.45 56.60 1fg9 n PHE 81 Cb 0.93 -1.15 0.30 0.00 0.35 0.00 0.00 39.48 39.90 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 -3.55 1.28 -3.98 -5.13 3.72 -0.35 -4.94 117.46 104.50 1fg9 n PHE 82 Ca -0.32 -0.50 -0.25 0.00 -0.05 0.00 0.00 57.45 56.32 1fg9 n PHE 82 Cb 1.02 -0.24 -0.08 0.00 -0.94 0.00 0.00 39.48 39.24 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 0.72 -1.17 4.37 2.85 -1.09 -0.10 115.26 121.67 1fg9 n ASN 83 Ca 0.21 -1.04 -0.12 0.00 -0.11 0.00 0.00 54.58 53.52 1fg9 n ASN 83 Cb 0.78 -1.29 -0.05 0.00 1.24 0.00 0.00 39.78 40.46 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 -2.28 -3.91 -4.43 1.20 7.64 -1.16 -4.89 113.62 105.79 1fg9 n SER 84 Ca -0.26 0.30 -0.44 0.00 1.01 0.00 0.00 58.87 59.48 1fg9 n SER 84 Cb 0.56 -3.38 -0.03 0.00 -1.01 0.00 0.00 64.21 60.35 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 -2.09 6.50 0.44 6.43 3.84 0.85 -4.92 114.94 125.99 1fg9 s ASN 85 Ca 0.00 -1.81 0.29 0.00 0.21 0.00 0.00 52.86 51.54 1fg9 s ASN 85 Cb 0.00 -2.38 1.37 0.00 -0.55 0.00 0.00 41.25 39.70 1fg9 s ASN 85 CO 0.00 -1.11 1.68 0.50 -2.79 0.00 0.00 177.10 175.38 1fg9 h LYS 86 N 8.94 0.15 0.21 0.43 3.64 -1.90 -1.09 116.57 126.95 1fg9 h LYS 86 Ca 0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1fg9 h LYS 86 Cb 1.04 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1fg9 h LYS 86 CO 1.09 0.10 -0.10 0.87 -2.27 0.00 0.00 179.45 179.14 1fg9 h LYS 87 N 0.15 -0.28 -0.57 1.90 1.57 -1.95 -2.35 116.57 115.05 1fg9 h LYS 87 Ca 0.75 0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.63 1fg9 h LYS 87 Cb 2.34 0.06 -0.09 0.00 0.08 0.00 0.00 32.23 34.63 1fg9 h LYS 87 CO -0.32 -0.18 -0.23 1.17 -0.57 0.00 0.00 179.45 179.31 1fg9 n LYS 88 N -2.99 -0.14 0.22 3.15 4.81 -0.44 0.20 118.16 122.97 1fg9 n LYS 88 Ca -0.04 0.87 -0.16 0.00 -0.87 0.00 0.00 58.31 58.11 1fg9 n LYS 88 Cb 0.11 -1.29 -0.08 0.00 0.02 0.00 0.00 35.03 33.79 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 -0.77 -0.87 1.64 9.65 -1.53 -0.20 114.38 122.30 1fg9 h ARG 89 Ca 0.19 0.05 0.10 0.00 -1.10 0.00 0.00 59.98 59.21 1fg9 h ARG 89 Cb 0.33 0.18 -0.06 0.00 -1.39 0.00 0.00 29.97 29.02 1fg9 h ARG 89 CO -0.56 -0.52 0.57 -0.44 2.80 0.00 0.00 179.97 181.82 1fg9 h ASP 90 N -0.80 0.78 0.31 -3.80 3.32 0.29 0.34 116.42 116.86 1fg9 h ASP 90 Ca -0.03 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1fg9 h ASP 90 Cb 0.73 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1fg9 h ASP 90 CO -0.10 0.46 -0.15 0.44 -1.72 0.00 0.00 179.24 178.17 1fg9 h ASP 91 N 0.86 -0.36 -0.60 6.45 3.32 -0.46 -2.25 116.42 123.39 1fg9 h ASP 91 Ca 0.40 -0.16 0.09 0.00 0.02 0.00 0.00 57.03 57.38 1fg9 h ASP 91 Cb 0.41 0.09 -0.11 0.00 0.22 0.00 0.00 39.33 39.94 1fg9 h ASP 91 CO -0.17 -0.01 -0.42 0.15 -1.72 0.00 0.00 179.24 177.07 1fg9 h PHE 92 N -0.74 -1.24 -0.26 4.55 3.04 0.02 -0.66 116.94 121.65 1fg9 h PHE 92 Ca -0.04 0.08 0.05 0.00 3.98 0.00 0.00 57.97 62.04 1fg9 h PHE 92 Cb 0.50 0.63 -0.08 0.00 2.56 0.00 0.00 35.95 39.56 1fg9 h PHE 92 CO 0.02 -0.42 -0.48 0.93 -2.02 0.00 0.00 178.31 176.35 1fg9 h GLU 93 N -0.21 -0.43 -0.65 1.11 5.08 -0.31 -1.21 114.58 117.96 1fg9 h GLU 93 Ca 0.19 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.69 1fg9 h GLU 93 Cb 0.56 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 29.79 1fg9 h GLU 93 CO -0.70 -0.29 -0.36 -0.22 -1.00 0.00 0.00 179.01 176.43 1fg9 h LYS 94 N -0.45 -0.15 -0.45 2.33 3.64 -0.53 0.16 116.57 121.12 1fg9 h LYS 94 Ca 0.08 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.53 1fg9 h LYS 94 Cb 0.63 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 1fg9 h LYS 94 CO -0.49 -0.10 0.30 -0.07 -2.27 0.00 0.00 179.45 176.82 1fg9 h LEU 95 N -0.15 0.34 -0.16 5.20 4.07 -0.35 -0.78 115.31 123.47 1fg9 h LEU 95 Ca 0.24 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.20 1fg9 h LEU 95 Cb 0.56 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1fg9 h LEU 95 CO -0.73 0.23 0.00 0.71 -1.08 0.00 0.00 178.44 177.57 1fg9 h THR 96 N 0.39 0.00 -3.47 0.22 1.35 0.39 -3.38 112.91 108.42 1fg9 h THR 96 Ca 0.19 -0.67 -0.69 0.00 -0.55 0.00 0.00 66.41 64.70 1fg9 h THR 96 Cb 0.27 1.65 -0.36 0.00 -1.73 0.00 0.00 68.15 67.98 1fg9 h THR 96 CO -0.05 0.00 -0.34 0.20 -0.25 0.00 0.00 175.52 175.08 1fg9 s ASN 97 N -5.25 5.28 -0.08 5.36 0.01 -0.30 -5.01 114.94 114.95 1fg9 s ASN 97 Ca 0.08 -3.11 -0.03 0.00 -0.71 0.00 0.00 52.86 49.09 1fg9 s ASN 97 Cb 0.09 -1.84 0.04 0.00 0.41 0.00 0.00 41.25 39.96 1fg9 s ASN 97 CO 0.61 -0.30 0.11 -0.31 -1.51 0.00 0.00 177.10 175.69 1fg9 s TYR 98 N -0.44 -0.04 -0.43 2.20 2.02 -1.26 -4.89 117.35 114.51 1fg9 s TYR 98 Ca 0.20 0.35 -0.27 0.00 -0.37 0.00 0.00 57.07 56.98 1fg9 s TYR 98 Cb -0.17 -0.40 -0.06 0.00 -0.40 0.00 0.00 41.96 40.93 1fg9 s TYR 98 CO -0.06 -0.27 2.26 0.45 -1.57 0.00 0.00 175.55 176.36 1fg9 s SER 99 N 2.22 4.87 0.00 2.29 0.15 -1.26 -4.73 113.70 117.25 1fg9 s SER 99 Ca 0.04 1.20 0.04 0.00 0.70 0.00 0.00 55.95 57.93 1fg9 s SER 99 Cb -0.13 -2.51 0.24 0.00 -1.71 0.00 0.00 66.02 61.92 1fg9 s SER 99 CO -0.05 -2.53 0.59 0.55 1.20 0.00 0.00 173.24 173.01 1fg9 n VAL 100 N 7.81 0.00 0.00 4.45 3.14 -1.26 -1.19 118.33 131.28 1fg9 n VAL 100 Ca 0.32 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.70 1fg9 n VAL 100 Cb 0.52 -0.66 0.00 0.00 -1.06 0.00 0.00 33.84 32.64 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 -0.77 0.00 -1.60 1.55 -2.24 -1.26 -4.83 114.28 105.12 1fg9 n THR 101 Ca 0.03 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.10 1fg9 n THR 101 Cb 0.01 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 68.99 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 -1.14 3.35 0.32 3.42 -0.08 -0.33 -4.80 116.55 117.29 1fg9 n ASP 102 Ca 0.00 0.32 0.17 0.00 -1.51 0.00 0.00 54.79 53.76 1fg9 n ASP 102 Cb 0.00 -1.54 0.88 0.00 2.34 0.00 0.00 41.12 42.80 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 14.30 0.00 0.09 -2.67 7.12 -1.93 0.40 115.31 132.62 1fg9 h LEU 103 Ca -0.42 0.00 -0.33 0.00 0.13 0.00 0.00 57.88 57.26 1fg9 h LEU 103 Cb 1.24 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.35 1fg9 h LEU 103 CO 0.96 0.00 -1.81 0.78 -0.13 0.00 0.00 178.44 178.24 1fg9 h ASN 104 N 0.00 0.30 -0.75 1.25 4.21 -1.94 -3.33 115.58 115.32 1fg9 h ASN 104 Ca 0.01 -0.60 -0.01 0.00 1.21 0.00 0.00 56.30 56.92 1fg9 h ASN 104 Cb 0.58 -0.10 -0.04 0.00 -1.12 0.00 0.00 38.32 37.65 1fg9 h ASN 104 CO -0.00 1.53 0.45 0.58 -1.29 0.00 0.00 177.43 178.69 1fg9 h VAL 105 N 0.05 1.21 0.00 2.81 2.07 -1.23 -0.84 116.25 120.33 1fg9 h VAL 105 Ca -0.34 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1fg9 h VAL 105 Cb 2.03 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1fg9 h VAL 105 CO 0.10 0.23 -0.03 0.06 0.02 0.00 0.00 177.57 177.95 1fg9 h GLN 106 N 1.05 0.00 0.00 1.57 3.07 -1.55 -2.17 115.11 117.08 1fg9 h GLN 106 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 59.00 1fg9 h GLN 106 Cb -0.03 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.53 1fg9 h GLN 106 CO -0.05 0.03 -0.06 0.00 0.09 0.00 0.00 178.83 178.84 1fg9 h ARG 107 N 0.00 0.00 -0.53 0.06 3.08 -1.29 -2.30 114.38 113.40 1fg9 h ARG 107 Ca -0.00 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.15 1fg9 h ARG 107 Cb 0.49 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.45 1fg9 h ARG 107 CO 0.00 0.99 0.01 -0.22 -1.07 0.00 0.00 179.97 179.68 1fg9 h LYS 108 N -1.00 0.12 -0.58 0.04 3.64 -1.34 0.19 116.57 117.64 1fg9 h LYS 108 Ca -0.02 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1fg9 h LYS 108 Cb 1.01 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.78 1fg9 h LYS 108 CO -0.01 0.08 -0.06 0.00 -2.27 0.00 0.00 179.45 177.19 1fg9 h ALA 109 N 1.47 0.79 0.00 5.00 0.00 -1.48 -1.57 119.26 123.47 1fg9 h ALA 109 Ca 0.27 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1fg9 h ALA 109 Cb 0.41 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1fg9 h ALA 109 CO -0.44 0.67 -0.02 0.82 0.00 0.00 0.00 179.25 180.29 1fg9 h ILE 110 N 0.95 0.10 0.16 0.00 1.08 -0.65 -2.62 117.51 116.53 1fg9 h ILE 110 Ca 0.16 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 1fg9 h ILE 110 Cb 0.63 1.29 0.00 0.00 -3.07 0.00 0.00 36.82 35.67 1fg9 h ILE 110 CO 0.04 0.02 -0.08 -0.74 -0.69 0.00 0.00 178.15 176.71 1fg9 h HIS 111 N 0.00 -0.20 0.00 1.37 2.76 0.28 -3.29 115.15 116.07 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 0.29 0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.32 1fg9 h HIS 111 CO 0.00 0.12 0.00 0.39 -1.30 0.00 0.00 177.93 177.14 1fg9 n GLU 112 N -4.90 0.76 0.10 5.26 1.02 -0.81 -4.21 120.64 117.85 1fg9 n GLU 112 Ca -0.06 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.04 1fg9 n GLU 112 Cb 0.20 -1.35 -0.02 0.00 -0.02 0.00 0.00 31.44 30.25 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 0.34 -0.24 -0.80 -4.62 5.85 -1.55 -1.53 115.31 112.77 1fg9 h LEU 113 Ca 0.00 0.01 0.19 0.00 0.84 0.00 0.00 57.88 58.92 1fg9 h LEU 113 Cb 0.41 0.06 -0.13 0.00 0.37 0.00 0.00 40.66 41.38 1fg9 h LEU 113 CO 0.00 -0.10 0.18 0.40 -0.34 0.00 0.00 178.44 178.58 1fg9 h ILE 114 N -0.43 0.41 -0.48 4.05 2.04 -1.85 0.45 117.51 121.70 1fg9 h ILE 114 Ca -0.03 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1fg9 h ILE 114 Cb 0.21 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.44 1fg9 h ILE 114 CO 0.05 0.04 0.23 1.56 0.00 0.00 0.00 178.15 180.02 1fg9 h GLN 115 N 0.23 0.69 -0.59 2.37 4.20 -1.83 -1.83 115.11 118.35 1fg9 h GLN 115 Ca 0.47 -0.10 0.02 0.00 0.06 0.00 0.00 58.65 59.09 1fg9 h GLN 115 Cb 0.87 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.49 1fg9 h GLN 115 CO -0.59 0.59 0.37 0.28 -0.67 0.00 0.00 178.83 178.80 1fg9 h VAL 116 N 0.63 1.11 -0.00 -0.54 2.07 0.83 -2.04 116.25 118.31 1fg9 h VAL 116 Ca 0.16 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.37 1fg9 h VAL 116 Cb 0.13 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 1fg9 h VAL 116 CO -0.02 0.14 -0.27 0.24 0.02 0.00 0.00 177.57 177.68 1fg9 h MET 117 N 0.75 0.00 -0.24 1.57 2.86 -0.55 -3.07 114.93 116.25 1fg9 h MET 117 Ca 0.23 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1fg9 h MET 117 Cb -0.03 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.63 1fg9 h MET 117 CO -0.07 0.27 0.00 0.00 1.06 0.00 0.00 176.91 178.17 1fg9 n ALA 118 N -2.49 2.50 -0.94 6.32 0.00 -0.71 -2.36 120.51 122.84 1fg9 n ALA 118 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1fg9 n ALA 118 Cb 0.32 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1fg9 n ALA 118 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1fg9 n GLU 119 N -0.37 0.04 -0.01 0.00 -0.58 -1.18 -4.89 120.64 113.65 1fg9 n GLU 119 Ca 0.00 -0.26 -0.12 0.00 -0.42 0.00 0.00 57.16 56.37 1fg9 n GLU 119 Cb 0.07 -0.53 -0.06 0.00 -0.57 0.00 0.00 31.44 30.34 1fg9 n GLU 119 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1fg9 h LEU 120 N 0.00 0.12-10.22 -4.62 3.38 -1.38 -3.44 115.31 99.15 1fg9 h LEU 120 Ca 0.00 -0.16 -0.51 0.00 0.09 0.00 0.00 57.88 57.29 1fg9 h LEU 120 Cb 0.68 -0.03 0.12 0.00 0.09 0.00 0.00 40.66 41.53 1fg9 h LEU 120 CO 0.00 0.25 0.36 -0.44 0.09 0.00 0.00 178.44 178.70 1fg9 s SER 121 N -5.46 4.69 0.38 -0.43 0.01 -1.26 -5.01 113.70 106.61 1fg9 s SER 121 Ca -0.14 2.03 -0.24 0.00 1.31 0.00 0.00 55.95 58.92 1fg9 s SER 121 Cb 0.06 -2.55 -0.10 0.00 0.21 0.00 0.00 66.02 63.63 1fg9 s SER 121 CO 0.68 -1.92 0.97 -2.16 0.41 0.00 0.00 173.24 171.23 1fg9 s PRO 122 N -4.27 4.35 0.40 12.44 0.04 -1.26 -5.07 135.00 141.63 1fg9 s PRO 122 Ca 0.67 1.28 0.08 0.00 0.04 0.00 0.00 61.00 63.07 1fg9 s PRO 122 Cb -0.21 -2.49 -0.01 0.00 0.04 0.00 0.00 34.50 31.83 1fg9 s PRO 122 CO 0.46 0.06 0.46 0.00 0.04 0.00 0.00 177.00 178.02 1fg9 s ALA 123 N -1.85 4.25 -0.15 8.56 0.00 -1.26 -5.05 121.76 126.26 1fg9 s ALA 123 Ca 0.57 -1.72 0.11 0.00 0.00 0.00 0.00 51.96 50.92 1fg9 s ALA 123 Cb -0.15 -1.37 -0.17 0.00 0.00 0.00 0.00 23.12 21.43 1fg9 s ALA 123 CO 0.20 -0.20 0.01 0.00 0.00 0.00 0.00 175.76 175.78 1fg9 n ALA 124 N -1.66 1.64 -0.89 0.00 0.00 -1.26 -4.48 120.51 113.85 1fg9 n ALA 124 Ca 0.04 -0.92 0.08 0.00 0.00 0.00 0.00 53.44 52.65 1fg9 n ALA 124 Cb 0.60 -0.03 0.19 0.00 0.00 0.00 0.00 19.45 20.20 1fg9 n ALA 124 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1fg9 n LYS 125 N -2.62 2.27 -0.72 0.00 4.81 -1.26 -5.39 118.16 115.26 1fg9 n LYS 125 Ca -0.25 -2.59 0.00 0.00 -0.87 0.00 0.00 58.31 54.60 1fg9 n LYS 125 Cb 0.95 -1.61 0.00 0.00 0.02 0.00 0.00 35.03 34.39 1fg9 n LYS 125 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98