#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ex9 h SER 11 N 0.00 0.01 0.18 3.42 0.87 -2.06 -3.07 113.55 112.90 3ex9 h SER 11 Ca 0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 3ex9 h SER 11 Cb 0.00 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3ex9 h SER 11 CO 0.00 1.01 -0.09 -0.33 -0.53 0.00 0.00 176.83 176.89 3ex9 h GLU 12 N 0.00 -0.23 -0.73 2.24 4.39 -2.05 -1.74 114.58 116.46 3ex9 h GLU 12 Ca -0.03 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.77 3ex9 h GLU 12 Cb 1.79 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 30.39 3ex9 h GLU 12 CO 0.13 0.06 -0.39 -1.71 -1.16 0.00 0.00 179.01 175.94 3ex9 n ASN 13 N -5.07 -0.69 -0.01 1.42 5.15 -1.26 -0.57 115.26 114.23 3ex9 n ASN 13 Ca -0.09 1.29 -0.09 0.00 -0.60 0.00 0.00 54.58 55.09 3ex9 n ASN 13 Cb 0.21 -0.20 -0.03 0.00 -0.53 0.00 0.00 39.78 39.23 3ex9 n ASN 13 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 3ex9 h ARG 14 N 0.00 -0.11 -0.61 1.20 3.08 -1.31 0.21 114.38 116.85 3ex9 h ARG 14 Ca 0.15 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 3ex9 h ARG 14 Cb 0.34 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 3ex9 h ARG 14 CO -0.70 -0.07 0.33 0.00 -1.07 0.00 0.00 179.97 178.47 3ex9 h ALA 15 N 1.00 1.45 -0.01 0.04 0.00 -0.99 0.13 119.26 120.88 3ex9 h ALA 15 Ca 0.09 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 3ex9 h ALA 15 Cb 0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3ex9 h ALA 15 CO -0.22 0.46 -0.91 -0.56 0.00 0.00 0.00 179.25 178.02 3ex9 h GLN 16 N 0.84 0.37 -0.06 0.00 3.07 -0.06 0.01 115.11 119.29 3ex9 h GLN 16 Ca 0.22 -0.39 -0.06 0.00 0.09 0.00 0.00 58.65 58.50 3ex9 h GLN 16 Cb 0.02 0.11 0.00 0.00 0.08 0.00 0.00 27.48 27.69 3ex9 h GLN 16 CO -0.04 1.07 -0.21 0.28 0.09 0.00 0.00 178.83 180.02 3ex9 h VAL 17 N 0.22 1.44 -0.84 1.86 2.07 -0.27 -0.54 116.25 120.19 3ex9 h VAL 17 Ca -0.07 -1.62 0.21 0.00 0.82 0.00 0.00 66.70 66.05 3ex9 h VAL 17 Cb 1.53 2.34 -0.14 0.00 -1.52 0.00 0.00 31.29 33.51 3ex9 h VAL 17 CO 0.15 0.45 0.16 0.00 0.02 0.00 0.00 177.57 178.36 3ex9 h ALA 18 N 0.43 1.11 0.55 1.67 0.00 -0.83 -2.61 119.26 119.57 3ex9 h ALA 18 Ca -0.01 0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3ex9 h ALA 18 Cb 0.84 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3ex9 h ALA 18 CO 0.04 -0.45 -0.49 0.00 0.00 0.00 0.00 179.25 178.36 3ex9 h ALA 19 N 1.76 -1.17 -0.42 0.00 0.00 -0.65 -2.90 119.26 115.88 3ex9 h ALA 19 Ca 0.50 -0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.28 3ex9 h ALA 19 Cb 0.97 0.69 -0.05 0.00 0.00 0.00 0.00 17.79 19.41 3ex9 h ALA 19 CO -0.66 -1.18 0.12 -0.09 0.00 0.00 0.00 179.25 177.44 3ex9 h ARG 20 N -1.02 0.26 -0.53 0.00 2.43 -0.87 -0.33 114.38 114.32 3ex9 h ARG 20 Ca -0.07 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 3ex9 h ARG 20 Cb 0.87 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 3ex9 h ARG 20 CO -0.03 0.17 -0.07 1.96 -1.51 0.00 0.00 179.97 180.49 3ex9 h GLN 21 N 0.27 0.97 0.16 0.20 4.20 -1.47 -1.47 115.11 117.97 3ex9 h GLN 21 Ca 0.20 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3ex9 h GLN 21 Cb 0.21 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.92 3ex9 h GLN 21 CO -0.23 1.00 -0.08 1.25 -0.67 0.00 0.00 178.83 180.10 3ex9 h HIS 22 N 0.87 -0.20 -0.92 2.96 2.76 -1.28 -3.10 115.15 116.23 3ex9 h HIS 22 Ca 0.15 -0.00 0.24 0.00 -2.20 0.00 0.00 60.37 58.55 3ex9 h HIS 22 Cb 0.61 0.07 -0.13 0.00 1.55 0.00 0.00 27.41 29.51 3ex9 h HIS 22 CO 0.04 0.18 0.43 -0.91 -1.30 0.00 0.00 177.93 176.37 3ex9 h ASN 23 N -0.64 0.37 -0.60 3.26 2.35 -0.93 -1.94 115.58 117.45 3ex9 h ASN 23 Ca -0.02 0.16 0.03 0.00 -0.55 0.00 0.00 56.30 55.91 3ex9 h ASN 23 Cb 0.47 0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.94 3ex9 h ASN 23 CO 0.04 -0.02 0.37 -0.09 -1.65 0.00 0.00 177.43 176.08 3ex9 h ARG 24 N 0.40 0.71 -0.86 0.81 2.43 -1.26 -1.49 114.38 115.11 3ex9 h ARG 24 Ca 0.59 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.78 3ex9 h ARG 24 Cb 1.17 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.50 3ex9 h ARG 24 CO -0.54 0.47 0.53 0.87 -1.51 0.00 0.00 179.97 179.78 3ex9 h LYS 25 N 0.73 0.94 -0.41 0.20 1.57 -1.29 0.16 116.57 118.47 3ex9 h LYS 25 Ca 0.24 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3ex9 h LYS 25 Cb 0.01 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3ex9 h LYS 25 CO -0.10 0.62 0.07 0.82 -0.57 0.00 0.00 179.45 180.29 3ex9 h ILE 26 N 0.97 1.24 -0.51 1.86 1.08 -1.07 -0.40 117.51 120.67 3ex9 h ILE 26 Ca 0.37 -0.86 0.08 0.00 -0.39 0.00 0.00 64.86 64.06 3ex9 h ILE 26 Cb 0.17 1.01 -0.06 0.00 -3.07 0.00 0.00 36.82 34.87 3ex9 h ILE 26 CO -0.17 0.30 0.14 0.58 -0.69 0.00 0.00 178.15 178.31 3ex9 h VAL 27 N 0.53 0.77 -0.16 1.67 2.07 -0.60 0.42 116.25 120.95 3ex9 h VAL 27 Ca 0.12 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 3ex9 h VAL 27 Cb 0.36 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3ex9 h VAL 27 CO 0.01 0.05 0.10 -0.33 0.02 0.00 0.00 177.57 177.42 3ex9 h GLU 28 N 0.30 0.22 -0.56 1.57 5.08 -0.56 0.14 114.58 120.77 3ex9 h GLU 28 Ca 0.25 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.61 3ex9 h GLU 28 Cb 0.31 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 3ex9 h GLU 28 CO -0.29 0.19 0.35 0.37 -1.00 0.00 0.00 179.01 178.62 3ex9 h GLN 29 N 0.19 0.67 -0.12 2.33 4.15 -0.51 -1.33 115.11 120.48 3ex9 h GLN 29 Ca 0.06 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.44 3ex9 h GLN 29 Cb 0.02 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.56 3ex9 h GLN 29 CO -0.01 0.44 0.06 -0.92 -1.93 0.00 0.00 178.83 176.47 3ex9 h TYR 30 N 0.69 0.12 0.00 3.99 3.20 0.73 -2.45 116.97 123.24 3ex9 h TYR 30 Ca 0.22 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.08 3ex9 h TYR 30 Cb 0.00 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 3ex9 h TYR 30 CO -0.06 0.07 -0.06 0.52 -1.64 0.00 0.00 178.16 177.00 3ex9 h MET 31 N 0.14 0.00 -0.11 1.82 2.86 0.00 -2.02 114.93 117.62 3ex9 h MET 31 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3ex9 h MET 31 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3ex9 h MET 31 CO -0.03 0.06 0.00 0.72 1.06 0.00 0.00 176.91 178.72 3ex9 n HIS 32 N -3.36 0.12 -2.07 -0.22 8.25 -0.57 -4.59 115.22 112.78 3ex9 n HIS 32 Ca -0.01 -0.06 -0.43 0.00 -0.26 0.00 0.00 57.72 56.96 3ex9 n HIS 32 Cb 0.21 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 3ex9 n HIS 32 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3ex9 s THR 33 N -1.79 3.64 0.25 1.59 2.01 -0.76 -4.99 115.64 115.58 3ex9 s THR 33 Ca 0.29 0.73 0.03 0.00 0.31 0.00 0.00 61.69 63.05 3ex9 s THR 33 Cb 0.20 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 3ex9 s THR 33 CO 0.29 -0.24 0.02 -0.13 -0.69 0.00 0.00 174.62 173.87 3ex9 s ARG 34 N 4.65 1.39 3.98 4.92 0.52 -1.26 -4.80 118.95 128.35 3ex9 s ARG 34 Ca 0.73 -1.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.22 3ex9 s ARG 34 Cb -0.27 -0.59 0.00 0.00 0.52 0.00 0.00 34.95 34.61 3ex9 s ARG 34 CO 0.30 -0.14 0.00 0.41 0.02 0.00 0.00 175.30 175.89 3ex9 n GLY 35 N -0.46 0.95 0.31 -3.53 0.00 -1.26 -2.78 105.19 98.41 3ex9 n GLY 35 Ca -0.04 -0.66 0.18 0.00 0.00 0.00 0.00 46.02 45.50 3ex9 n GLY 35 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3ex9 h GLU 36 N 0.00 0.00 -0.15 1.61 4.39 -1.99 -1.46 114.58 116.97 3ex9 h GLU 36 Ca 0.00 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.74 3ex9 h GLU 36 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 3ex9 h GLU 36 CO 0.00 0.02 0.19 0.00 -1.16 0.00 0.00 179.01 178.07 3ex9 h ALA 37 N 1.98 1.71 -0.46 3.43 0.00 -1.93 -1.63 119.26 122.36 3ex9 h ALA 37 Ca -0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.04 3ex9 h ALA 37 Cb 0.11 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3ex9 h ALA 37 CO 0.00 -0.27 0.38 0.00 0.00 0.00 0.00 179.25 179.36 3ex9 h ARG 38 N 0.00 0.00 0.00 0.00 3.08 -1.37 -1.00 114.38 115.09 3ex9 h ARG 38 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3ex9 h ARG 38 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3ex9 h ARG 38 CO -0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 3ex9 n LEU 39 N -4.12 0.19 -0.17 3.04 4.77 -0.61 -2.89 117.00 117.22 3ex9 n LEU 39 Ca 0.08 0.55 0.05 0.00 -0.03 0.00 0.00 56.01 56.66 3ex9 n LEU 39 Cb 0.58 -0.52 0.09 0.00 -2.33 0.00 0.00 43.42 41.23 3ex9 n LEU 39 CO 0.33 -0.35 0.56 0.29 -1.33 0.00 0.00 177.39 176.89 3ex9 n LYS 40 N -1.72 2.31 0.11 3.23 5.02 -0.38 -4.74 118.16 122.00 3ex9 n LYS 40 Ca 0.03 -2.10 -0.02 0.00 -2.02 0.00 0.00 58.31 54.20 3ex9 n LYS 40 Cb 0.18 -1.30 0.05 0.00 -0.02 0.00 0.00 35.03 33.94 3ex9 n LYS 40 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3ex9 h ARG 41 N 0.36 0.00 -1.03 1.97 2.43 -1.57 -2.68 114.38 113.86 3ex9 h ARG 41 Ca 0.00 0.00 0.28 0.00 -0.81 0.00 0.00 59.98 59.45 3ex9 h ARG 41 Cb 0.80 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.29 3ex9 h ARG 41 CO 0.02 0.73 0.71 1.12 -1.51 0.00 0.00 179.97 181.04 3ex9 h HIS 42 N 0.00 0.25 0.00 2.20 2.07 -1.85 -1.22 115.15 116.60 3ex9 h HIS 42 Ca -0.01 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3ex9 h HIS 42 Cb 1.39 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 31.30 3ex9 h HIS 42 CO 0.00 0.03 0.00 1.28 -3.07 0.00 0.00 177.93 176.17 3ex9 n LEU 43 N -4.37 0.12 0.01 6.12 4.77 -1.01 -1.25 117.00 121.39 3ex9 n LEU 43 Ca 0.23 0.55 0.13 0.00 -0.03 0.00 0.00 56.01 56.89 3ex9 n LEU 43 Cb 1.00 -0.56 0.40 0.00 -2.33 0.00 0.00 43.42 41.93 3ex9 n LEU 43 CO 0.35 -0.54 0.68 0.18 -1.33 0.00 0.00 177.39 176.72 3ex9 n LEU 44 N -1.66 0.33 -4.95 2.23 4.77 -0.46 -4.91 117.00 112.35 3ex9 n LEU 44 Ca 0.00 0.26 -0.23 0.00 -0.03 0.00 0.00 56.01 56.00 3ex9 n LEU 44 Cb 0.04 -0.35 0.06 0.00 -2.33 0.00 0.00 43.42 40.84 3ex9 n LEU 44 CO 0.05 0.04 0.50 -0.36 -1.33 0.00 0.00 177.39 176.29 3ex9 s PHE 45 N -3.02 2.78 0.70 -1.77 0.08 -0.38 -0.43 117.98 115.93 3ex9 s PHE 45 Ca 0.12 0.18 -0.11 0.00 0.12 0.00 0.00 56.93 57.24 3ex9 s PHE 45 Cb 0.18 -3.00 0.01 0.00 -0.57 0.00 0.00 43.02 39.64 3ex9 s PHE 45 CO 0.63 -1.21 1.06 0.95 -0.10 0.00 0.00 175.22 176.56 3ex9 s THR 46 N -3.03 3.93 0.16 0.64 -4.23 -0.84 -4.55 115.64 107.73 3ex9 s THR 46 Ca 0.59 0.63 -0.19 0.00 -1.18 0.00 0.00 61.69 61.54 3ex9 s THR 46 Cb -0.10 -3.44 0.08 0.00 1.34 0.00 0.00 72.50 70.38 3ex9 s THR 46 CO 0.42 -0.82 1.65 1.05 -0.54 0.00 0.00 174.62 176.38 3ex9 h GLU 47 N -0.71 -0.10 0.00 3.99 9.09 -1.94 -1.34 114.58 123.57 3ex9 h GLU 47 Ca -0.45 0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.97 3ex9 h GLU 47 Cb 1.22 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 3ex9 h GLU 47 CO 0.59 -0.06 0.00 -0.40 0.05 0.00 0.00 179.01 179.18 3ex9 n ASP 48 N -5.34 0.00 -4.79 3.06 5.68 -1.26 -0.63 116.55 113.27 3ex9 n ASP 48 Ca 0.01 -1.32 -0.33 0.00 -0.50 0.00 0.00 54.79 52.66 3ex9 n ASP 48 Cb 0.26 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.26 3ex9 n ASP 48 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3ex9 s GLY 49 N -1.50 2.19 -0.04 6.12 0.00 -0.51 -4.11 107.32 109.47 3ex9 s GLY 49 Ca 0.16 0.48 0.05 0.00 0.00 0.00 0.00 44.72 45.41 3ex9 s GLY 49 CO 0.12 0.81 -0.19 0.14 0.00 0.00 0.00 173.10 173.98 3ex9 s VAL 50 N -2.35 1.56 0.12 1.40 1.01 -0.91 0.14 120.40 121.37 3ex9 s VAL 50 Ca 0.65 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3ex9 s VAL 50 Cb -0.18 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 3ex9 s VAL 50 CO 0.37 0.45 -0.09 -0.83 0.00 0.00 0.00 175.10 175.00 3ex9 s GLY 51 N -0.09 0.91 0.00 4.51 0.00 -0.80 -0.79 107.32 111.07 3ex9 s GLY 51 Ca -0.02 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.32 3ex9 s GLY 51 CO 0.02 -1.48 0.00 0.61 0.00 0.00 0.00 173.10 172.25 3ex9 n GLY 52 N -0.01 -1.49 3.34 0.20 0.00 -1.12 -0.49 105.19 105.61 3ex9 n GLY 52 Ca -0.12 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.30 3ex9 n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3ex9 s LEU 53 N 0.00 3.84 0.05 0.99 2.96 -0.93 -1.58 118.68 124.01 3ex9 s LEU 53 Ca 0.00 -0.72 0.24 0.00 -0.22 0.00 0.00 54.13 53.43 3ex9 s LEU 53 Cb 0.00 -1.88 0.40 0.00 0.50 0.00 0.00 46.19 45.21 3ex9 s LEU 53 CO 0.00 -0.19 1.34 0.79 -1.32 0.00 0.00 176.35 176.97 3ex9 n TRP 54 N 4.86 0.25 -3.88 5.38 8.01 -0.44 -1.11 117.44 130.51 3ex9 n TRP 54 Ca -0.14 0.07 -0.34 0.00 -1.31 0.00 0.00 57.50 55.78 3ex9 n TRP 54 Cb 0.48 -0.44 -0.13 0.00 -2.01 0.00 0.00 31.31 29.21 3ex9 n TRP 54 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.69 177.63 3ex9 s THR 55 N -3.09 2.91 0.30 -0.99 -4.23 -1.25 -4.49 115.64 104.79 3ex9 s THR 55 Ca 0.08 -1.96 0.06 0.00 -1.18 0.00 0.00 61.69 58.69 3ex9 s THR 55 Cb 0.15 -2.94 -0.06 0.00 1.34 0.00 0.00 72.50 70.99 3ex9 s THR 55 CO 0.72 -0.50 -0.03 0.42 -0.54 0.00 0.00 174.62 174.69 3ex9 s THR 56 N 1.10 1.57 0.34 3.99 -4.23 -1.26 -4.65 115.64 112.49 3ex9 s THR 56 Ca 0.05 -2.09 0.05 0.00 -1.18 0.00 0.00 61.69 58.52 3ex9 s THR 56 Cb -0.21 -2.55 0.15 0.00 1.34 0.00 0.00 72.50 71.23 3ex9 s THR 56 CO -0.05 -0.22 1.87 -2.24 -0.54 0.00 0.00 174.62 173.44 3ex9 h ASP 57 N 2.21 0.47 1.02 3.99 -0.00 -1.95 -2.83 116.42 119.34 3ex9 h ASP 57 Ca -0.40 -0.09 0.00 0.00 -0.00 0.00 0.00 57.03 56.53 3ex9 h ASP 57 Cb 1.24 -0.12 0.00 0.00 -0.00 0.00 0.00 39.33 40.44 3ex9 h ASP 57 CO 0.69 0.56 0.00 0.77 -0.00 0.00 0.00 179.24 181.26 3ex9 h SER 58 N 0.48 0.00 0.00 4.15 4.64 -2.02 -3.47 113.55 117.34 3ex9 h SER 58 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3ex9 h SER 58 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 3ex9 h SER 58 CO 0.01 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 3ex9 n GLY 59 N 0.45 2.73 3.90 -0.77 0.00 -1.07 -5.02 105.19 105.40 3ex9 n GLY 59 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3ex9 n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ex9 s GLN 60 N -0.13 3.52 0.24 1.61 -1.52 -1.26 -4.86 119.66 117.26 3ex9 s GLN 60 Ca 0.00 -0.19 -0.30 0.00 -1.95 0.00 0.00 55.36 52.92 3ex9 s GLN 60 Cb 0.00 -3.06 -0.10 0.00 -0.22 0.00 0.00 33.01 29.64 3ex9 s GLN 60 CO 0.00 0.63 1.43 -2.14 -0.25 0.00 0.00 175.29 174.97 3ex9 s PRO 61 N -1.99 4.27 -0.83 2.91 0.02 -1.26 -4.47 135.00 133.66 3ex9 s PRO 61 Ca 0.30 2.29 -0.20 0.00 0.02 0.00 0.00 61.00 63.41 3ex9 s PRO 61 Cb -0.13 -3.11 0.11 0.00 0.02 0.00 0.00 34.50 31.39 3ex9 s PRO 61 CO 0.19 -0.41 1.04 0.42 -0.33 0.00 0.00 177.00 177.91 3ex9 s ILE 62 N 0.02 4.65 -0.01 2.83 1.01 -0.27 -4.99 121.20 124.45 3ex9 s ILE 62 Ca 0.59 -1.23 -0.02 0.00 0.00 0.00 0.00 60.65 59.99 3ex9 s ILE 62 Cb -0.42 -4.72 -0.04 0.00 0.01 0.00 0.00 42.46 37.29 3ex9 s ILE 62 CO 0.43 -1.45 0.16 0.00 0.00 0.00 0.00 174.94 174.08 3ex9 s ALA 63 N 2.98 3.86 -0.18 9.38 0.00 -1.26 -2.19 121.76 134.35 3ex9 s ALA 63 Ca 0.28 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.46 3ex9 s ALA 63 Cb -0.10 -1.80 0.03 0.00 0.00 0.00 0.00 23.12 21.24 3ex9 s ALA 63 CO -0.03 0.73 -0.18 0.42 0.00 0.00 0.00 175.76 176.71 3ex9 s ILE 64 N -1.29 1.97 -0.14 0.00 1.09 0.35 -4.99 121.20 118.19 3ex9 s ILE 64 Ca 0.26 -0.96 -0.03 0.00 -1.10 0.00 0.00 60.65 58.82 3ex9 s ILE 64 Cb -0.12 -1.83 -0.03 0.00 -1.06 0.00 0.00 42.46 39.41 3ex9 s ILE 64 CO 0.17 0.45 -0.05 0.00 -0.10 0.00 0.00 174.94 175.42 3ex9 s ARG 65 N 1.31 3.55 0.00 2.79 1.70 -1.26 -1.90 118.95 125.14 3ex9 s ARG 65 Ca 0.03 -0.53 0.00 0.00 -0.47 0.00 0.00 55.73 54.76 3ex9 s ARG 65 Cb -0.14 -2.86 0.00 0.00 -0.57 0.00 0.00 34.95 31.38 3ex9 s ARG 65 CO -0.12 0.29 0.00 0.41 -1.08 0.00 0.00 175.30 174.81 3ex9 n GLY 66 N 3.36 1.78 0.47 3.88 0.00 0.37 -4.49 105.19 110.57 3ex9 n GLY 66 Ca -0.18 -1.41 0.30 0.00 0.00 0.00 0.00 46.02 44.73 3ex9 n GLY 66 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3ex9 h ARG 67 N 0.00 0.17 0.05 1.61 2.43 -1.02 -0.40 114.38 117.23 3ex9 h ARG 67 Ca 0.00 -0.01 -0.26 0.00 -0.81 0.00 0.00 59.98 58.90 3ex9 h ARG 67 Cb 0.00 -0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3ex9 h ARG 67 CO 0.00 0.11 -1.08 0.93 -1.51 0.00 0.00 179.97 178.42 3ex9 h GLU 68 N 0.18 0.49 0.00 0.20 5.08 -1.89 -1.58 114.58 117.05 3ex9 h GLU 68 Ca 0.60 -0.59 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3ex9 h GLU 68 Cb 1.96 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 31.39 3ex9 h GLU 68 CO -0.16 1.23 -0.45 0.87 -1.00 0.00 0.00 179.01 179.50 3ex9 h LYS 69 N 0.24 0.00 -0.25 2.33 1.79 -1.52 -2.24 116.57 116.92 3ex9 h LYS 69 Ca -0.12 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.24 3ex9 h LYS 69 Cb 1.74 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.39 3ex9 h LYS 69 CO 0.20 0.45 -0.25 -0.07 -1.08 0.00 0.00 179.45 178.69 3ex9 h LEU 70 N 0.00 0.66 -0.93 2.94 3.38 -1.12 -1.54 115.31 118.70 3ex9 h LEU 70 Ca -0.00 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.52 3ex9 h LEU 70 Cb 1.03 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 3ex9 h LEU 70 CO 0.06 1.00 0.61 1.23 0.09 0.00 0.00 178.44 181.42 3ex9 h GLY 71 N 0.33 1.34 1.63 0.83 0.00 -1.21 -2.70 103.07 103.29 3ex9 h GLY 71 Ca 0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 3ex9 h GLY 71 CO 0.06 0.41 -0.29 0.83 0.00 0.00 0.00 176.54 177.55 3ex9 h GLU 72 N 1.19 0.42 0.00 4.80 5.08 -1.29 -2.63 114.58 122.16 3ex9 h GLU 72 Ca 0.36 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3ex9 h GLU 72 Cb -0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 3ex9 h GLU 72 CO -0.11 0.68 -0.41 1.25 -1.00 0.00 0.00 179.01 179.43 3ex9 h HIS 73 N 0.37 0.00 -0.11 4.33 2.76 -1.03 -3.05 115.15 118.42 3ex9 h HIS 73 Ca 0.05 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.17 3ex9 h HIS 73 Cb 0.71 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 3ex9 h HIS 73 CO 0.02 0.41 -0.17 0.00 -1.30 0.00 0.00 177.93 176.89 3ex9 h ALA 74 N 1.59 1.51 -0.38 5.26 0.00 -1.15 -1.16 119.26 124.93 3ex9 h ALA 74 Ca -0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3ex9 h ALA 74 Cb 0.85 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3ex9 h ALA 74 CO 0.05 0.35 0.19 0.28 0.00 0.00 0.00 179.25 180.12 3ex9 h VAL 75 N 0.17 1.16 -0.49 0.00 2.07 -1.63 0.39 116.25 117.92 3ex9 h VAL 75 Ca 0.03 -0.45 -0.12 0.00 0.82 0.00 0.00 66.70 66.98 3ex9 h VAL 75 Cb 0.40 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3ex9 h VAL 75 CO 0.03 0.17 -0.17 -0.25 0.02 0.00 0.00 177.57 177.37 3ex9 h TRP 76 N 0.48 1.11 -0.02 1.57 7.01 -1.47 -1.34 115.95 123.30 3ex9 h TRP 76 Ca 0.13 -0.25 -0.00 0.00 2.11 0.00 0.00 58.89 60.88 3ex9 h TRP 76 Cb 0.10 -0.27 -0.00 0.00 -2.10 0.00 0.00 29.16 26.89 3ex9 h TRP 76 CO -0.02 1.07 0.01 1.03 -2.79 0.00 0.00 178.44 177.74 3ex9 h SER 77 N 0.84 0.02 0.04 2.65 0.87 -1.03 0.10 113.55 117.04 3ex9 h SER 77 Ca 0.12 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 3ex9 h SER 77 Cb 0.74 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 3ex9 h SER 77 CO 0.06 0.09 -0.08 0.25 -0.53 0.00 0.00 176.83 176.62 3ex9 h LEU 78 N -0.05 0.09 -0.09 2.23 7.12 -0.09 0.77 115.31 125.30 3ex9 h LEU 78 Ca 0.01 -0.01 -0.05 0.00 0.13 0.00 0.00 57.88 57.96 3ex9 h LEU 78 Cb 0.07 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.18 3ex9 h LEU 78 CO -0.00 0.19 -0.14 -0.61 -0.13 0.00 0.00 178.44 177.75 3ex9 h GLN 79 N 0.10 0.24 0.00 1.25 4.15 -0.87 -3.25 115.11 116.73 3ex9 h GLN 79 Ca 0.02 -0.15 -0.23 0.00 0.77 0.00 0.00 58.65 59.07 3ex9 h GLN 79 Cb 0.21 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 3ex9 h GLN 79 CO 0.01 0.72 -1.32 0.00 -1.93 0.00 0.00 178.83 176.31 3ex9 n PHE 81 N -3.13 2.84 0.23 0.00 3.01 0.23 -0.19 117.46 120.44 3ex9 n PHE 81 Ca -0.09 -4.06 0.07 0.00 1.01 0.00 0.00 57.45 54.38 3ex9 n PHE 81 Cb 0.95 -0.51 0.58 0.00 -0.01 0.00 0.00 39.48 40.50 3ex9 n PHE 81 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3ex9 h PRO 82 N 4.35 0.05 -0.01 -1.08 0.13 -1.72 -3.19 132.00 130.53 3ex9 h PRO 82 Ca 0.18 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3ex9 h PRO 82 Cb 0.71 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.83 3ex9 h PRO 82 CO 0.75 0.08 -0.16 -0.40 -0.23 0.00 0.00 178.00 178.04 3ex9 n ASP 83 N -4.48 2.16 -4.71 1.44 5.68 -1.26 -4.85 116.55 110.52 3ex9 n ASP 83 Ca -0.02 -3.36 -0.43 0.00 -0.50 0.00 0.00 54.79 50.48 3ex9 n ASP 83 Cb 0.13 -0.46 -0.03 0.00 -1.14 0.00 0.00 41.12 39.61 3ex9 n ASP 83 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 3ex9 n TRP 84 N -1.33 2.67 -4.26 2.11 -0.00 -1.21 -4.77 117.44 110.66 3ex9 n TRP 84 Ca 0.17 0.16 -0.17 0.00 -0.00 0.00 0.00 57.50 57.66 3ex9 n TRP 84 Cb 0.66 -2.62 -0.14 0.00 -0.00 0.00 0.00 31.31 29.22 3ex9 n TRP 84 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 177.69 177.83 3ex9 s VAL 85 N 0.72 0.73 -0.13 5.87 -7.23 -0.99 -4.72 120.40 114.65 3ex9 s VAL 85 Ca 0.72 -0.68 -0.10 0.00 -1.81 0.00 0.00 61.98 60.12 3ex9 s VAL 85 Cb -0.54 -0.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 3ex9 s VAL 85 CO 0.39 0.00 0.20 0.26 -0.31 0.00 0.00 175.10 175.64 3ex9 s TRP 86 N -0.63 3.56 0.30 2.82 0.52 -1.26 -1.98 118.94 122.27 3ex9 s TRP 86 Ca -0.00 0.57 0.03 0.00 0.02 0.00 0.00 56.10 56.71 3ex9 s TRP 86 Cb -0.06 -2.11 -0.05 0.00 -1.15 0.00 0.00 33.47 30.10 3ex9 s TRP 86 CO 0.00 0.55 0.09 0.95 0.02 0.00 0.00 176.95 178.56 3ex9 s THR 87 N -0.49 0.81 -1.28 2.01 -4.23 0.79 -4.89 115.64 108.35 3ex9 s THR 87 Ca 0.15 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.66 3ex9 s THR 87 Cb -0.13 -2.67 -0.00 0.00 1.34 0.00 0.00 72.50 71.04 3ex9 s THR 87 CO 0.04 0.00 0.75 0.47 -0.54 0.00 0.00 174.62 175.34 3ex9 n ASP 88 N -0.65 -1.41 -4.68 3.99 9.92 -1.26 -0.33 116.55 122.12 3ex9 n ASP 88 Ca -0.01 -0.79 -0.43 0.00 -0.53 0.00 0.00 54.79 53.03 3ex9 n ASP 88 Cb 0.66 -4.24 -0.02 0.00 -0.64 0.00 0.00 41.12 36.87 3ex9 n ASP 88 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3ex9 s ILE 89 N -3.61 4.75 -0.14 0.53 1.01 -1.26 -4.12 121.20 118.36 3ex9 s ILE 89 Ca 0.01 2.03 -0.00 0.00 0.00 0.00 0.00 60.65 62.68 3ex9 s ILE 89 Cb -0.00 -4.30 0.03 0.00 0.01 0.00 0.00 42.46 38.20 3ex9 s ILE 89 CO 0.80 -0.01 -0.08 -1.10 0.00 0.00 0.00 174.94 174.55 3ex9 s GLN 90 N 2.13 1.60 -0.17 2.79 -0.21 -0.04 -5.02 119.66 120.74 3ex9 s GLN 90 Ca 0.48 -0.40 -0.07 0.00 0.02 0.00 0.00 55.36 55.40 3ex9 s GLN 90 Cb -0.18 -1.82 -0.04 0.00 1.00 0.00 0.00 33.01 31.97 3ex9 s GLN 90 CO 0.17 -0.33 0.06 0.42 -2.12 0.00 0.00 175.29 173.49 3ex9 s ILE 91 N 1.65 4.79 -0.24 1.08 1.01 -1.26 -0.80 121.20 127.42 3ex9 s ILE 91 Ca 0.03 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.65 3ex9 s ILE 91 Cb -0.14 -3.14 0.04 0.00 0.01 0.00 0.00 42.46 39.23 3ex9 s ILE 91 CO -0.08 0.48 -0.11 -0.36 0.00 0.00 0.00 174.94 174.87 3ex9 s PHE 92 N 0.17 3.09 0.52 3.97 0.40 0.14 -5.01 117.98 121.26 3ex9 s PHE 92 Ca 0.04 -1.90 -0.17 0.00 -0.60 0.00 0.00 56.93 54.31 3ex9 s PHE 92 Cb -0.12 -1.98 -0.08 0.00 0.51 0.00 0.00 43.02 41.35 3ex9 s PHE 92 CO 0.01 -0.81 0.99 -1.21 0.70 0.00 0.00 175.22 174.89 3ex9 s GLU 93 N 1.23 3.90 0.47 0.44 2.02 -1.26 -1.82 118.70 123.67 3ex9 s GLU 93 Ca -0.03 1.00 0.02 0.00 0.02 0.00 0.00 54.97 55.99 3ex9 s GLU 93 Cb -0.17 -2.13 -0.01 0.00 0.10 0.00 0.00 34.13 31.92 3ex9 s GLU 93 CO -0.06 -0.31 0.08 0.95 0.02 0.00 0.00 175.26 175.94 3ex9 s THR 94 N -2.57 0.76 0.56 3.63 -4.23 -1.22 -4.92 115.64 107.66 3ex9 s THR 94 Ca 0.60 -2.00 0.39 0.00 -1.18 0.00 0.00 61.69 59.50 3ex9 s THR 94 Cb -0.11 -2.19 0.39 0.00 1.34 0.00 0.00 72.50 71.93 3ex9 s THR 94 CO 0.30 0.00 2.20 0.06 -0.54 0.00 0.00 174.62 176.65 3ex9 h GLN 95 N 1.54 0.00 -5.03 3.99 -0.00 -1.98 -3.38 115.11 110.25 3ex9 h GLN 95 Ca -0.39 0.00 -0.64 0.00 -0.00 0.00 0.00 58.65 57.63 3ex9 h GLN 95 Cb 1.30 0.00 -0.16 0.00 -0.00 0.00 0.00 27.48 28.62 3ex9 h GLN 95 CO 0.63 0.00 -0.33 0.34 -0.00 0.00 0.00 178.83 179.47 3ex9 s ASP 96 N -4.87 6.17 0.18 0.06 -1.08 -1.26 -4.99 116.67 110.88 3ex9 s ASP 96 Ca -0.04 0.07 0.23 0.00 -0.52 0.00 0.00 52.55 52.29 3ex9 s ASP 96 Cb 0.11 -2.18 0.90 0.00 -1.46 0.00 0.00 42.92 40.29 3ex9 s ASP 96 CO 0.36 -0.18 1.70 -0.81 0.52 0.00 0.00 175.17 176.75 3ex9 n PRO 97 N 5.26 0.16 -0.88 4.34 -0.04 -1.26 -1.73 135.00 140.84 3ex9 n PRO 97 Ca -0.10 0.31 -0.01 0.00 -0.04 0.00 0.00 63.50 63.66 3ex9 n PRO 97 Cb 0.51 -1.76 0.31 0.00 -0.04 0.00 0.00 33.50 32.52 3ex9 n PRO 97 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ex9 n ASN 98 N -2.04 4.86 -3.71 3.54 3.02 -1.26 -4.21 115.26 115.46 3ex9 n ASN 98 Ca 0.03 -2.99 -0.17 0.00 -0.03 0.00 0.00 54.58 51.43 3ex9 n ASN 98 Cb 0.27 -0.70 -0.17 0.00 -0.61 0.00 0.00 39.78 38.57 3ex9 n ASN 98 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3ex9 s TRP 99 N -2.67 -0.01 0.07 3.10 -0.11 -0.71 -0.73 118.94 117.88 3ex9 s TRP 99 Ca 0.49 0.29 0.06 0.00 1.22 0.00 0.00 56.10 58.16 3ex9 s TRP 99 Cb 0.39 -0.32 -0.03 0.00 -1.50 0.00 0.00 33.47 32.01 3ex9 s TRP 99 CO 0.13 -0.16 -0.15 -0.06 -4.62 0.00 0.00 176.95 172.08 3ex9 s PHE 100 N 1.69 1.31 0.11 5.86 0.40 0.30 -3.37 117.98 124.29 3ex9 s PHE 100 Ca -0.02 -0.42 0.11 0.00 -0.60 0.00 0.00 56.93 55.99 3ex9 s PHE 100 Cb -0.12 -0.75 -0.04 0.00 0.51 0.00 0.00 43.02 42.62 3ex9 s PHE 100 CO -0.04 0.07 -0.26 -1.58 0.70 0.00 0.00 175.22 174.11 3ex9 s TRP 101 N -1.14 2.27 -0.04 0.36 0.52 -0.76 -0.03 118.94 120.13 3ex9 s TRP 101 Ca 0.00 -0.39 0.02 0.00 0.02 0.00 0.00 56.10 55.75 3ex9 s TRP 101 Cb -0.09 -1.25 0.01 0.00 -1.15 0.00 0.00 33.47 30.99 3ex9 s TRP 101 CO 0.02 0.29 -0.07 0.08 0.02 0.00 0.00 176.95 177.29 3ex9 s VAL 102 N -1.02 0.73 -0.16 4.03 1.01 0.11 0.28 120.40 125.37 3ex9 s VAL 102 Ca 0.13 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 3ex9 s VAL 102 Cb -0.10 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3ex9 s VAL 102 CO 0.05 0.25 -0.02 -0.70 0.00 0.00 0.00 175.10 174.69 3ex9 s GLU 103 N 0.60 3.72 0.35 2.72 2.12 0.02 -0.70 118.70 127.53 3ex9 s GLU 103 Ca -0.09 -0.49 -0.17 0.00 0.36 0.00 0.00 54.97 54.57 3ex9 s GLU 103 Cb -0.13 -2.97 0.05 0.00 0.26 0.00 0.00 34.13 31.34 3ex9 s GLU 103 CO 0.01 0.23 0.79 0.00 -0.54 0.00 0.00 175.26 175.75 3ex9 s ARG 105 N -2.60 2.43 -0.14 0.00 1.81 0.54 -1.10 118.95 119.89 3ex9 s ARG 105 Ca 0.15 -1.50 -0.11 0.00 -1.72 0.00 0.00 55.73 52.56 3ex9 s ARG 105 Cb -0.05 -2.22 0.04 0.00 -0.45 0.00 0.00 34.95 32.27 3ex9 s ARG 105 CO 0.10 0.12 0.35 0.20 -0.68 0.00 0.00 175.30 175.40 3ex9 s GLY 106 N -3.86 -0.26 0.07 -3.53 0.00 -0.93 -0.15 107.32 98.66 3ex9 s GLY 106 Ca 0.38 1.13 -0.14 0.00 0.00 0.00 0.00 44.72 46.09 3ex9 s GLY 106 CO 0.23 1.11 0.31 -1.83 0.00 0.00 0.00 173.10 172.93 3ex9 s GLU 107 N 0.62 0.89 0.00 2.90 -1.05 -0.84 -1.21 118.70 120.02 3ex9 s GLU 107 Ca -0.04 -0.64 0.00 0.00 -0.15 0.00 0.00 54.97 54.14 3ex9 s GLU 107 Cb -0.05 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 3ex9 s GLU 107 CO -0.04 -0.31 0.00 0.41 0.95 0.00 0.00 175.26 176.27 3ex9 n GLY 108 N 0.23 -1.99 3.79 -3.83 0.00 -0.06 -2.36 105.19 100.97 3ex9 n GLY 108 Ca -0.17 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.34 3ex9 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ex9 s ALA 109 N -1.89 2.82 -0.19 4.61 0.00 -1.26 -0.45 121.76 125.40 3ex9 s ALA 109 Ca 0.00 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 52.60 3ex9 s ALA 109 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 3ex9 s ALA 109 CO 0.00 -0.44 -0.13 -1.50 0.00 0.00 0.00 175.76 173.69 3ex9 s ILE 110 N -1.95 2.76 -0.62 0.00 2.07 0.19 -4.18 121.20 119.48 3ex9 s ILE 110 Ca 0.68 -0.71 0.04 0.00 -1.41 0.00 0.00 60.65 59.26 3ex9 s ILE 110 Cb -0.18 -2.20 0.16 0.00 0.13 0.00 0.00 42.46 40.36 3ex9 s ILE 110 CO 0.22 0.49 0.41 -0.69 -1.91 0.00 0.00 174.94 173.46 3ex9 s VAL 111 N 1.18 2.46 0.14 4.00 1.01 0.73 -1.84 120.40 128.08 3ex9 s VAL 111 Ca 0.02 -3.79 -0.13 0.00 0.00 0.00 0.00 61.98 58.07 3ex9 s VAL 111 Cb -0.14 -2.64 -0.07 0.00 0.00 0.00 0.00 36.38 33.53 3ex9 s VAL 111 CO -0.05 -0.98 0.52 -0.36 0.00 0.00 0.00 175.10 174.23 3ex9 s PHE 112 N -0.94 3.60 0.21 5.22 2.99 -1.26 -4.51 117.98 123.29 3ex9 s PHE 112 Ca 0.24 1.00 -0.30 0.00 0.00 0.00 0.00 56.93 57.86 3ex9 s PHE 112 Cb -0.09 -2.32 -0.09 0.00 0.00 0.00 0.00 43.02 40.51 3ex9 s PHE 112 CO -0.12 0.44 1.38 -2.14 -0.00 0.00 0.00 175.22 174.78 3ex9 s PRO 113 N -1.98 4.33 -1.70 0.24 0.02 -1.26 -2.41 135.00 132.24 3ex9 s PRO 113 Ca 0.37 2.17 -0.22 0.00 0.02 0.00 0.00 61.00 63.35 3ex9 s PRO 113 Cb -0.15 -3.16 0.22 0.00 0.02 0.00 0.00 34.50 31.43 3ex9 s PRO 113 CO 0.19 -0.35 0.54 0.41 -0.33 0.00 0.00 177.00 177.46 3ex9 n GLY 114 N 2.41 -0.36 3.34 0.52 0.00 -1.26 -4.98 105.19 104.86 3ex9 n GLY 114 Ca 0.07 0.06 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 3ex9 n GLY 114 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ex9 s TYR 115 N -3.03 2.05 0.72 1.61 1.51 -1.01 -5.16 117.35 114.04 3ex9 s TYR 115 Ca 0.75 -0.40 -0.16 0.00 -1.01 0.00 0.00 57.07 56.26 3ex9 s TYR 115 Cb -0.44 -1.11 0.01 0.00 -0.11 0.00 0.00 41.96 40.31 3ex9 s TYR 115 CO 0.93 0.27 1.03 -2.30 -1.11 0.00 0.00 175.55 174.37 3ex9 n PRO 116 N 0.99 0.54 -1.73 -1.71 -0.02 -1.26 -4.25 135.00 127.54 3ex9 n PRO 116 Ca -0.19 0.24 -0.42 0.00 -2.02 0.00 0.00 63.50 61.11 3ex9 n PRO 116 Cb 0.53 -2.28 -0.02 0.00 -0.02 0.00 0.00 33.50 31.71 3ex9 n PRO 116 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3ex9 n ARG 117 N -2.03 2.60 -4.28 -0.52 0.63 -1.26 -4.63 116.66 107.17 3ex9 n ARG 117 Ca 0.13 0.93 -0.15 0.00 -0.92 0.00 0.00 57.85 57.84 3ex9 n ARG 117 Cb 0.49 -2.69 -0.10 0.00 0.45 0.00 0.00 32.46 30.61 3ex9 n ARG 117 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3ex9 s GLY 118 N 0.45 1.67 -0.27 5.14 0.00 -0.76 -5.00 107.32 108.54 3ex9 s GLY 118 Ca 0.64 -1.81 -0.09 0.00 0.00 0.00 0.00 44.72 43.47 3ex9 s GLY 118 CO 0.49 -1.53 0.12 1.62 0.00 0.00 0.00 173.10 173.80 3ex9 s GLN 119 N -4.05 3.69 -0.17 2.90 2.00 -1.26 -0.64 119.66 122.13 3ex9 s GLN 119 Ca 0.38 -0.47 -0.03 0.00 -2.00 0.00 0.00 55.36 53.24 3ex9 s GLN 119 Cb 0.07 -3.48 -0.02 0.00 0.80 0.00 0.00 33.01 30.39 3ex9 s GLN 119 CO 0.14 -0.23 -0.06 -0.47 -0.50 0.00 0.00 175.29 174.17 3ex9 s TYR 120 N 1.66 2.95 0.03 1.67 5.04 0.40 -4.73 117.35 124.38 3ex9 s TYR 120 Ca 0.06 -0.60 0.05 0.00 -2.44 0.00 0.00 57.07 54.14 3ex9 s TYR 120 Cb -0.16 -1.98 -0.02 0.00 0.35 0.00 0.00 41.96 40.15 3ex9 s TYR 120 CO 0.06 -0.26 -0.15 1.03 -1.34 0.00 0.00 175.55 174.90 3ex9 s ARG 121 N 0.76 1.01 0.27 4.97 0.52 -1.26 -0.89 118.95 124.34 3ex9 s ARG 121 Ca -0.02 -0.73 -0.16 0.00 -0.52 0.00 0.00 55.73 54.30 3ex9 s ARG 121 Cb -0.15 -1.02 0.01 0.00 0.52 0.00 0.00 34.95 34.31 3ex9 s ARG 121 CO 0.02 0.26 0.59 1.21 0.02 0.00 0.00 175.30 177.39 3ex9 s ASN 122 N -1.00 -0.12 -0.17 0.23 3.04 -0.35 -4.85 114.94 111.73 3ex9 s ASN 122 Ca 0.03 -0.83 -0.05 0.00 0.04 0.00 0.00 52.86 52.05 3ex9 s ASN 122 Cb -0.07 0.66 -0.03 0.00 -1.54 0.00 0.00 41.25 40.26 3ex9 s ASN 122 CO 0.01 -1.25 -0.01 -2.28 -3.04 0.00 0.00 177.10 170.53 3ex9 s HIS 123 N -3.87 3.09 0.07 0.43 5.65 -1.26 -2.19 115.29 117.20 3ex9 s HIS 123 Ca 0.18 -0.21 0.07 0.00 0.25 0.00 0.00 55.06 55.35 3ex9 s HIS 123 Cb -0.03 -2.01 -0.03 0.00 -1.18 0.00 0.00 32.58 29.34 3ex9 s HIS 123 CO 0.09 -0.01 -0.20 -0.06 -0.65 0.00 0.00 174.74 173.91 3ex9 s PHE 124 N 0.43 1.71 -0.04 3.88 0.40 -0.26 -4.20 117.98 119.91 3ex9 s PHE 124 Ca -0.02 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 55.99 3ex9 s PHE 124 Cb -0.14 -0.98 -0.02 0.00 0.51 0.00 0.00 43.02 42.40 3ex9 s PHE 124 CO 0.02 0.13 -0.25 -0.51 0.70 0.00 0.00 175.22 175.31 3ex9 s LEU 125 N -1.50 2.08 -0.04 -0.37 1.43 -0.13 -2.02 118.68 118.11 3ex9 s LEU 125 Ca 0.06 -0.48 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 3ex9 s LEU 125 Cb -0.09 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 3ex9 s LEU 125 CO 0.03 0.28 -0.20 -1.00 0.23 0.00 0.00 176.35 175.69 3ex9 s HIS 126 N -0.40 1.93 -0.14 0.29 3.76 0.13 0.17 115.29 121.02 3ex9 s HIS 126 Ca 0.04 -0.52 -0.03 0.00 -0.15 0.00 0.00 55.06 54.40 3ex9 s HIS 126 Cb -0.12 -1.28 -0.02 0.00 1.11 0.00 0.00 32.58 32.27 3ex9 s HIS 126 CO 0.01 -0.15 -0.06 0.45 -0.85 0.00 0.00 174.74 174.14 3ex9 s SER 127 N -0.12 4.58 -0.16 1.40 0.15 0.60 -0.71 113.70 119.44 3ex9 s SER 127 Ca -0.01 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.47 3ex9 s SER 127 Cb -0.11 -1.71 0.02 0.00 -1.71 0.00 0.00 66.02 62.50 3ex9 s SER 127 CO 0.02 0.18 -0.19 -0.36 1.20 0.00 0.00 173.24 174.09 3ex9 s PHE 128 N 0.31 2.59 -0.07 3.44 0.08 0.96 -0.97 117.98 124.32 3ex9 s PHE 128 Ca -0.05 -1.46 0.04 0.00 0.12 0.00 0.00 56.93 55.58 3ex9 s PHE 128 Cb -0.15 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 3ex9 s PHE 128 CO 0.04 -0.72 -0.17 1.03 -0.10 0.00 0.00 175.22 175.30 3ex9 s ARG 129 N 1.20 2.67 0.15 0.44 0.52 0.12 -0.54 118.95 123.51 3ex9 s ARG 129 Ca 0.02 -0.74 0.08 0.00 -0.52 0.00 0.00 55.73 54.56 3ex9 s ARG 129 Cb -0.14 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 3ex9 s ARG 129 CO -0.09 0.49 -0.07 -0.06 0.02 0.00 0.00 175.30 175.59 3ex9 s PHE 130 N -0.40 2.74 -0.07 -0.53 0.08 0.09 -0.20 117.98 119.69 3ex9 s PHE 130 Ca 0.04 -0.17 -0.03 0.00 0.12 0.00 0.00 56.93 56.89 3ex9 s PHE 130 Cb -0.12 -1.37 0.04 0.00 -0.57 0.00 0.00 43.02 41.00 3ex9 s PHE 130 CO 0.02 0.49 0.13 -2.00 -0.10 0.00 0.00 175.22 173.76 3ex9 s GLU 131 N -2.64 0.01 -1.34 0.44 2.12 -0.31 -4.75 118.70 112.23 3ex9 s GLU 131 Ca 0.25 0.48 -0.10 0.00 0.36 0.00 0.00 54.97 55.95 3ex9 s GLU 131 Cb -0.10 -0.31 0.08 0.00 0.26 0.00 0.00 34.13 34.06 3ex9 s GLU 131 CO 0.16 -0.29 0.55 0.09 -0.54 0.00 0.00 175.26 175.23 3ex9 n ASN 132 N 5.10 -3.85 0.00 -1.70 3.02 -1.26 -2.30 115.26 114.27 3ex9 n ASN 132 Ca -0.09 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.00 3ex9 n ASN 132 Cb 0.50 -3.17 0.00 0.00 -0.61 0.00 0.00 39.78 36.50 3ex9 n ASN 132 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3ex9 n GLY 133 N -1.24 0.59 3.48 7.41 0.00 -1.26 -5.01 105.19 109.16 3ex9 n GLY 133 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3ex9 n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ex9 s LEU 134 N 0.00 2.63 -0.42 0.99 1.43 -0.97 -4.89 118.68 117.45 3ex9 s LEU 134 Ca 0.00 -0.94 -0.29 0.00 -1.03 0.00 0.00 54.13 51.88 3ex9 s LEU 134 Cb 0.00 -1.20 0.02 0.00 0.03 0.00 0.00 46.19 45.04 3ex9 s LEU 134 CO 0.00 0.06 1.25 -0.63 0.23 0.00 0.00 176.35 177.26 3ex9 s ILE 135 N -2.27 4.11 0.09 -0.59 1.01 0.42 -1.17 121.20 122.81 3ex9 s ILE 135 Ca 0.28 1.17 0.02 0.00 0.00 0.00 0.00 60.65 62.12 3ex9 s ILE 135 Cb -0.06 -4.39 -0.24 0.00 0.01 0.00 0.00 42.46 37.78 3ex9 s ILE 135 CO 0.14 -0.81 1.16 0.50 0.00 0.00 0.00 174.94 175.94 3ex9 h LYS 136 N 9.67 0.12 -2.01 2.79 1.63 -0.88 -2.22 116.57 125.67 3ex9 h LYS 136 Ca -0.25 -0.20 -0.06 0.00 -0.85 0.00 0.00 60.65 59.29 3ex9 h LYS 136 Cb 1.08 0.08 -0.26 0.00 -0.60 0.00 0.00 32.23 32.53 3ex9 h LYS 136 CO 1.09 1.06 -0.35 -2.00 -3.45 0.00 0.00 179.45 175.81 3ex9 s GLU 137 N -2.68 0.41 -0.10 1.90 2.12 -0.81 -2.14 118.70 117.40 3ex9 s GLU 137 Ca -0.02 0.95 -0.02 0.00 0.36 0.00 0.00 54.97 56.25 3ex9 s GLU 137 Cb 0.09 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.66 3ex9 s GLU 137 CO 0.85 -0.42 -0.02 -1.14 -0.54 0.00 0.00 175.26 173.99 3ex9 s GLN 138 N 2.68 3.11 -0.01 4.30 -0.44 0.03 -0.70 119.66 128.62 3ex9 s GLN 138 Ca 0.05 -0.47 0.01 0.00 -2.50 0.00 0.00 55.36 52.46 3ex9 s GLN 138 Cb -0.13 -2.78 0.00 0.00 -1.64 0.00 0.00 33.01 28.46 3ex9 s GLN 138 CO -0.16 0.57 -0.05 1.03 0.50 0.00 0.00 175.29 177.19 3ex9 s ARG 139 N -0.54 0.49 0.06 1.67 0.52 -0.14 -2.80 118.95 118.21 3ex9 s ARG 139 Ca 0.09 -0.15 0.07 0.00 -0.52 0.00 0.00 55.73 55.22 3ex9 s ARG 139 Cb -0.12 -0.51 -0.03 0.00 0.52 0.00 0.00 34.95 34.81 3ex9 s ARG 139 CO 0.02 0.05 -0.17 -1.83 0.02 0.00 0.00 175.30 173.39 3ex9 s GLU 140 N 0.20 2.05 -0.10 3.54 -1.05 -0.62 -0.29 118.70 122.43 3ex9 s GLU 140 Ca -0.02 -1.00 -0.00 0.00 -0.15 0.00 0.00 54.97 53.79 3ex9 s GLU 140 Cb -0.06 -2.20 0.02 0.00 -0.44 0.00 0.00 34.13 31.46 3ex9 s GLU 140 CO -0.00 0.53 -0.07 -0.06 0.95 0.00 0.00 175.26 176.61 3ex9 s PHE 141 N -0.98 1.35 0.31 4.83 0.40 0.13 -1.33 117.98 122.69 3ex9 s PHE 141 Ca 0.16 -0.64 0.06 0.00 -0.60 0.00 0.00 56.93 55.91 3ex9 s PHE 141 Cb -0.11 -1.15 -0.02 0.00 0.51 0.00 0.00 43.02 42.25 3ex9 s PHE 141 CO 0.07 -0.47 0.30 0.00 0.70 0.00 0.00 175.22 175.81 3ex9 n MET 142 N 4.90 0.43 -3.41 0.44 0.00 -1.26 -0.96 117.12 117.25 3ex9 n MET 142 Ca -0.12 -3.06 -0.43 0.00 0.00 0.00 0.00 57.70 54.09 3ex9 n MET 142 Cb 0.50 2.57 -0.10 0.00 0.00 0.00 0.00 33.22 36.19 3ex9 n MET 142 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 3ex9 s ASN 143 N -3.17 6.14 0.54 3.17 3.84 -1.26 -4.83 114.94 119.37 3ex9 s ASN 143 Ca 0.36 -0.82 0.34 0.00 0.21 0.00 0.00 52.86 52.94 3ex9 s ASN 143 Cb 0.01 -2.18 1.83 0.00 -0.55 0.00 0.00 41.25 40.36 3ex9 s ASN 143 CO 0.25 -0.49 2.02 -0.65 -2.79 0.00 0.00 177.10 175.44 3ex9 h PRO 144 N 8.66 0.00 -0.30 0.43 0.11 -1.94 -2.63 132.00 136.33 3ex9 h PRO 144 Ca -0.27 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.80 3ex9 h PRO 144 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3ex9 h PRO 144 CO 0.75 0.00 0.01 0.00 -0.21 0.00 0.00 178.00 178.55 3ex9 h GLU 146 N 0.44 0.00 0.24 0.00 4.39 -1.82 -2.62 114.58 115.21 3ex9 h GLU 146 Ca 0.10 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.47 3ex9 h GLU 146 Cb 0.27 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 28.96 3ex9 h GLU 146 CO 0.01 0.18 -1.44 0.37 -1.16 0.00 0.00 179.01 176.97 3ex9 h GLN 147 N 0.00 0.51 -0.38 2.33 4.15 -1.62 -3.00 115.11 117.10 3ex9 h GLN 147 Ca -0.00 -0.88 0.08 0.00 0.77 0.00 0.00 58.65 58.62 3ex9 h GLN 147 Cb 0.40 0.33 -0.08 0.00 0.21 0.00 0.00 27.48 28.34 3ex9 h GLN 147 CO 0.02 1.42 -0.12 0.74 -1.93 0.00 0.00 178.83 178.97 3ex9 h PHE 148 N 0.09 -0.27 -0.75 3.99 0.04 -1.29 -1.26 116.94 117.49 3ex9 h PHE 148 Ca -0.25 0.04 0.11 0.00 2.80 0.00 0.00 57.97 60.66 3ex9 h PHE 148 Cb 2.12 0.18 -0.12 0.00 2.20 0.00 0.00 35.95 40.33 3ex9 h PHE 148 CO 0.13 -0.19 -0.31 0.54 -0.60 0.00 0.00 178.31 177.88 3ex9 n ARG 149 N -5.32 -0.20 0.08 1.51 1.74 -0.92 -0.37 116.66 113.19 3ex9 n ARG 149 Ca 0.02 1.16 0.10 0.00 -0.77 0.00 0.00 57.85 58.35 3ex9 n ARG 149 Cb 0.23 -1.71 0.42 0.00 -1.02 0.00 0.00 32.46 30.37 3ex9 n ARG 149 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3ex9 n SER 150 N -5.09 0.41 -0.73 0.55 3.41 -0.52 -2.28 113.62 109.38 3ex9 n SER 150 Ca 0.07 0.60 0.07 0.00 -0.26 0.00 0.00 58.87 59.35 3ex9 n SER 150 Cb 0.29 -0.69 0.15 0.00 -0.26 0.00 0.00 64.21 63.70 3ex9 n SER 150 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ex9 n LEU 151 N -1.95 2.84 -0.53 1.04 4.77 -0.95 -4.23 117.00 117.98 3ex9 n LEU 151 Ca 0.03 -1.67 -0.07 0.00 -0.03 0.00 0.00 56.01 54.27 3ex9 n LEU 151 Cb 0.21 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 3ex9 n LEU 151 CO 0.17 0.66 -0.07 0.61 -1.33 0.00 0.00 177.39 177.44 3ex9 n GLY 152 N 0.79 0.86 3.74 -0.72 0.00 -0.96 -4.77 105.19 104.12 3ex9 n GLY 152 Ca 0.13 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 3ex9 n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ex9 s ILE 153 N -2.05 4.95 0.33 -0.61 1.01 0.51 -4.98 121.20 120.36 3ex9 s ILE 153 Ca 0.00 1.39 -0.22 0.00 0.00 0.00 0.00 60.65 61.82 3ex9 s ILE 153 Cb 0.00 -4.01 -0.10 0.00 0.01 0.00 0.00 42.46 38.37 3ex9 s ILE 153 CO 0.00 0.33 0.87 -0.70 0.00 0.00 0.00 174.94 175.43 3ex9 s GLU 154 N 0.33 4.34 -0.13 2.79 2.12 -1.26 -2.16 118.70 124.72 3ex9 s GLU 154 Ca 0.35 1.08 -0.01 0.00 0.36 0.00 0.00 54.97 56.75 3ex9 s GLU 154 Cb -0.18 -2.61 -0.02 0.00 0.26 0.00 0.00 34.13 31.58 3ex9 s GLU 154 CO 0.18 0.21 -0.12 0.08 -0.54 0.00 0.00 175.26 175.07 3ex9 s VAL 155 N -1.79 3.15 0.57 3.70 1.01 -1.26 -4.91 120.40 120.87 3ex9 s VAL 155 Ca 0.52 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 3ex9 s VAL 155 Cb -0.15 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.86 3ex9 s VAL 155 CO 0.19 0.52 1.07 -2.16 0.00 0.00 0.00 175.10 174.72 3ex9 s PRO 156 N 0.36 3.38 -0.28 2.72 0.04 -1.26 -5.01 135.00 134.95 3ex9 s PRO 156 Ca -0.10 1.31 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 3ex9 s PRO 156 Cb -0.16 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 3ex9 s PRO 156 CO 0.05 -0.77 0.19 -1.21 0.04 0.00 0.00 177.00 175.30 3ex9 s GLU 157 N -3.78 3.89 -0.09 4.56 2.02 -1.26 -5.04 118.70 118.99 3ex9 s GLU 157 Ca 0.66 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.99 3ex9 s GLU 157 Cb -0.17 -3.65 -0.02 0.00 0.10 0.00 0.00 34.13 30.39 3ex9 s GLU 157 CO 0.32 -0.20 1.07 0.08 0.02 0.00 0.00 175.26 176.55 3ex9 s VAL 158 N 1.75 4.62 -0.53 2.63 1.01 -1.26 -5.02 120.40 123.59 3ex9 s VAL 158 Ca 0.07 1.90 -0.05 0.00 0.00 0.00 0.00 61.98 63.90 3ex9 s VAL 158 Cb -0.16 -4.22 0.14 0.00 0.00 0.00 0.00 36.38 32.14 3ex9 s VAL 158 CO 0.10 -0.00 0.36 0.00 0.00 0.00 0.00 175.10 175.56 3ex9 s ARG 159 N 2.12 2.41 0.00 2.72 1.70 -1.26 -5.33 118.95 121.31 3ex9 s ARG 159 Ca 0.51 -2.12 0.31 0.00 -0.47 0.00 0.00 55.73 53.95 3ex9 s ARG 159 Cb -0.20 -3.77 1.60 0.00 -0.57 0.00 0.00 34.95 32.01 3ex9 s ARG 159 CO 0.19 -1.15 2.05 0.54 -1.08 0.00 0.00 175.30 175.85