#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f09 h ASN -1 N 0.00 0.00 -3.73 4.04 -1.07 -1.98 -3.48 115.58 109.36 3f09 h ASN -1 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.80 3f09 h ASN -1 Cb 0.00 0.00 0.16 0.00 -2.07 0.00 0.00 38.32 36.41 3f09 h ASN -1 CO 0.00 0.67 0.26 0.00 0.07 0.00 0.00 177.43 178.44 3f09 n ALA 0 N -2.34 0.54 0.01 4.14 0.00 -1.26 -4.93 120.51 116.68 3f09 n ALA 0 Ca -0.04 0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.35 3f09 n ALA 0 Cb 0.84 -2.18 -0.13 0.00 0.00 0.00 0.00 19.45 17.98 3f09 n ALA 0 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3f09 h MET 1 N 0.62 0.00 -5.18 0.00 2.86 -1.95 -3.45 114.93 107.83 3f09 h MET 1 Ca -0.49 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 56.53 3f09 h MET 1 Cb 1.35 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.87 3f09 h MET 1 CO 0.52 0.67 -0.52 0.42 1.06 0.00 0.00 176.91 179.06 3f09 s ILE 2 N -2.66 5.18 0.02 -1.22 1.01 -1.26 -0.30 121.20 121.97 3f09 s ILE 2 Ca -0.02 0.11 -0.17 0.00 0.00 0.00 0.00 60.65 60.56 3f09 s ILE 2 Cb 0.09 -3.38 -0.28 0.00 0.01 0.00 0.00 42.46 38.89 3f09 s ILE 2 CO 0.82 0.40 1.06 -0.74 0.00 0.00 0.00 174.94 176.48 3f09 h HIS 3 N 7.09 0.84 -1.51 3.97 -0.00 -1.20 -3.47 115.15 120.87 3f09 h HIS 3 Ca -0.39 -0.53 0.36 0.00 -0.00 0.00 0.00 60.37 59.82 3f09 h HIS 3 Cb 1.16 -0.07 -0.11 0.00 -0.00 0.00 0.00 27.41 28.40 3f09 h HIS 3 CO 0.62 1.37 0.91 0.20 -0.00 0.00 0.00 177.93 181.03 3f09 s GLY 4 N -4.36 -0.36 0.08 5.26 0.00 -1.20 -4.98 107.32 101.75 3f09 s GLY 4 Ca -0.11 0.59 0.03 0.00 0.00 0.00 0.00 44.72 45.23 3f09 s GLY 4 CO 0.89 1.94 -0.09 -0.26 0.00 0.00 0.00 173.10 175.58 3f09 s ILE 5 N -2.17 0.79 0.01 0.90 -4.36 -1.26 -0.92 121.20 114.19 3f09 s ILE 5 Ca 0.19 -1.45 -0.06 0.00 -0.26 0.00 0.00 60.65 59.08 3f09 s ILE 5 Cb 0.04 -1.12 -0.00 0.00 1.25 0.00 0.00 42.46 42.63 3f09 s ILE 5 CO -0.04 -0.50 0.10 -0.83 0.24 0.00 0.00 174.94 173.91 3f09 s GLY 6 N -2.15 0.09 -0.01 6.27 0.00 -0.27 -3.56 107.32 107.70 3f09 s GLY 6 Ca 0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 44.72 44.41 3f09 s GLY 6 CO -0.00 -0.37 0.12 0.54 0.00 0.00 0.00 173.10 173.38 3f09 s VAL 7 N -1.44 0.06 -0.12 1.40 0.11 -1.26 -1.05 120.40 118.11 3f09 s VAL 7 Ca -0.15 -0.54 -0.10 0.00 -2.93 0.00 0.00 61.98 58.27 3f09 s VAL 7 Cb -0.08 -0.35 0.03 0.00 -1.53 0.00 0.00 36.38 34.45 3f09 s VAL 7 CO 0.01 -0.30 0.31 -0.62 -3.33 0.00 0.00 175.10 171.17 3f09 s ASP 8 N -1.01 -0.33 -0.09 3.54 2.15 -0.29 -4.65 116.67 115.99 3f09 s ASP 8 Ca -0.11 0.63 0.04 0.00 0.43 0.00 0.00 52.55 53.54 3f09 s ASP 8 Cb -0.06 0.61 -0.01 0.00 -0.30 0.00 0.00 42.92 43.16 3f09 s ASP 8 CO 0.01 -0.12 -0.22 -0.22 -0.17 0.00 0.00 175.17 174.45 3f09 s LEU 9 N 0.41 2.25 0.03 -1.34 2.96 -1.26 -1.47 118.68 120.26 3f09 s LEU 9 Ca -0.02 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.44 3f09 s LEU 9 Cb -0.04 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.19 3f09 s LEU 9 CO -0.02 0.21 -0.06 -0.51 -1.32 0.00 0.00 176.35 174.65 3f09 s ILE 10 N 0.07 0.42 -0.20 6.68 2.07 0.13 -5.00 121.20 125.37 3f09 s ILE 10 Ca -0.09 -0.78 -0.25 0.00 -1.41 0.00 0.00 60.65 58.11 3f09 s ILE 10 Cb -0.15 -0.46 -0.01 0.00 0.13 0.00 0.00 42.46 41.97 3f09 s ILE 10 CO 0.06 -0.25 0.85 -1.61 -1.91 0.00 0.00 174.94 172.08 3f09 s GLU 11 N -1.11 4.26 0.26 3.50 2.02 -1.26 -1.14 118.70 125.23 3f09 s GLU 11 Ca -0.07 1.02 -0.02 0.00 0.02 0.00 0.00 54.97 55.92 3f09 s GLU 11 Cb -0.07 -3.60 0.49 0.00 0.10 0.00 0.00 34.13 31.04 3f09 s GLU 11 CO 0.00 -0.41 1.78 0.82 0.02 0.00 0.00 175.26 177.47 3f09 h ILE 12 N 5.29 0.80 0.00 -1.63 1.08 -1.28 -2.41 117.51 119.36 3f09 h ILE 12 Ca -0.26 -0.24 -0.00 0.00 -0.39 0.00 0.00 64.86 63.96 3f09 h ILE 12 Cb 1.11 0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.91 3f09 h ILE 12 CO 0.86 0.13 -0.02 -2.24 -0.69 0.00 0.00 178.15 176.18 3f09 h ASP 13 N 0.70 0.00 0.52 1.72 2.03 -1.93 1.00 116.42 120.46 3f09 h ASP 13 Ca 0.44 0.00 -0.29 0.00 -0.73 0.00 0.00 57.03 56.45 3f09 h ASP 13 Cb 0.55 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.06 3f09 h ASP 13 CO -0.32 0.02 -1.34 0.03 -1.03 0.00 0.00 179.24 176.61 3f09 h ARG 14 N 0.00 0.34 -0.38 4.15 3.08 -1.83 -1.07 114.38 118.67 3f09 h ARG 14 Ca -0.00 -0.58 -0.12 0.00 0.07 0.00 0.00 59.98 59.35 3f09 h ARG 14 Cb 0.08 0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3f09 h ARG 14 CO 0.00 1.27 -0.25 0.82 -1.07 0.00 0.00 179.97 180.74 3f09 h ILE 15 N 0.09 1.28 -0.13 2.04 1.08 -1.34 -2.73 117.51 117.80 3f09 h ILE 15 Ca -0.18 -1.40 -0.01 0.00 -0.39 0.00 0.00 64.86 62.88 3f09 h ILE 15 Cb 2.03 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 37.12 3f09 h ILE 15 CO 0.22 0.47 0.04 -0.61 -0.69 0.00 0.00 178.15 177.57 3f09 h GLN 16 N 0.64 0.20 -0.66 2.37 5.75 -0.86 -0.62 115.11 121.93 3f09 h GLN 16 Ca 0.08 -0.04 0.05 0.00 -0.15 0.00 0.00 58.65 58.59 3f09 h GLN 16 Cb 0.82 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.28 3f09 h GLN 16 CO 0.07 0.35 0.37 0.00 -2.65 0.00 0.00 178.83 176.96 3f09 h ALA 17 N 0.85 0.87 0.12 3.38 0.00 -1.23 -1.12 119.26 122.13 3f09 h ALA 17 Ca 0.04 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3f09 h ALA 17 Cb 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3f09 h ALA 17 CO -0.00 0.05 -0.06 1.25 0.00 0.00 0.00 179.25 180.49 3f09 h LEU 18 N 0.69 -0.14 -1.53 0.00 5.85 -1.42 -1.35 115.31 117.40 3f09 h LEU 18 Ca 0.29 -0.35 0.23 0.00 0.84 0.00 0.00 57.88 58.90 3f09 h LEU 18 Cb 0.16 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 3f09 h LEU 18 CO -0.17 0.30 0.64 0.22 -0.34 0.00 0.00 178.44 179.09 3f09 h TYR 19 N -0.61 0.50 -0.18 1.25 3.20 -0.90 1.32 116.97 121.55 3f09 h TYR 19 Ca -0.02 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.68 3f09 h TYR 19 Cb 0.48 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.60 3f09 h TYR 19 CO 0.06 0.10 -0.65 0.77 -1.64 0.00 0.00 178.16 176.80 3f09 h SER 20 N 0.35 0.78 0.82 -2.11 0.02 -1.02 -2.53 113.55 109.86 3f09 h SER 20 Ca 0.51 -0.46 -0.24 0.00 -0.84 0.00 0.00 61.79 60.76 3f09 h SER 20 Cb 1.37 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 3f09 h SER 20 CO -0.19 1.23 -1.10 0.50 -1.14 0.00 0.00 176.83 176.12 3f09 h LYS 21 N 0.49 0.13 -2.24 3.45 3.64 0.51 -3.41 116.57 119.14 3f09 h LYS 21 Ca -0.02 -0.22 -0.49 0.00 -1.27 0.00 0.00 60.65 58.66 3f09 h LYS 21 Cb 1.24 0.08 -0.35 0.00 -0.41 0.00 0.00 32.23 32.79 3f09 h LYS 21 CO 0.13 1.10 -0.81 1.14 -2.27 0.00 0.00 179.45 178.74 3f09 s GLN 22 N -2.71 0.69 0.54 1.90 -2.07 0.42 -5.01 119.66 113.42 3f09 s GLN 22 Ca -0.01 -1.35 0.29 0.00 -1.82 0.00 0.00 55.36 52.47 3f09 s GLN 22 Cb 0.09 -1.07 1.45 0.00 -1.09 0.00 0.00 33.01 32.39 3f09 s GLN 22 CO 0.85 -1.25 1.93 -1.35 -1.32 0.00 0.00 175.29 174.14 3f09 h PRO 23 N 6.60 0.00 0.00 9.60 0.11 -1.66 0.49 132.00 147.13 3f09 h PRO 23 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3f09 h PRO 23 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3f09 h PRO 23 CO 0.25 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.67 3f09 n LYS 24 N -4.28 0.48 0.18 1.05 4.76 -1.26 -2.08 118.16 117.01 3f09 n LYS 24 Ca 0.15 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.45 3f09 n LYS 24 Cb 0.82 -1.11 -0.07 0.00 -1.84 0.00 0.00 35.03 32.83 3f09 n LYS 24 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3f09 h LEU 25 N 0.00 -0.41 0.00 -0.35 5.85 -0.36 -2.94 115.31 117.11 3f09 h LEU 25 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3f09 h LEU 25 Cb 0.00 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3f09 h LEU 25 CO 0.00 -0.27 0.00 0.52 -0.34 0.00 0.00 178.44 178.35 3f09 n VAL 26 N -5.29 0.00 -0.05 1.05 0.31 -0.88 -0.28 118.33 113.18 3f09 n VAL 26 Ca -0.09 1.18 0.19 0.00 -0.01 0.00 0.00 64.34 65.61 3f09 n VAL 26 Cb 0.20 -1.68 0.30 0.00 -0.91 0.00 0.00 33.84 31.75 3f09 n VAL 26 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3f09 n GLU 27 N -1.73 0.02 0.10 5.55 4.71 -1.23 -0.98 120.64 127.08 3f09 n GLU 27 Ca 0.00 0.98 0.02 0.00 -0.01 0.00 0.00 57.16 58.15 3f09 n GLU 27 Cb 0.00 -2.50 -0.02 0.00 -1.01 0.00 0.00 31.44 27.92 3f09 n GLU 27 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3f09 h ARG 28 N 0.00 0.00 0.00 3.49 3.08 -0.45 -3.40 114.38 117.10 3f09 h ARG 28 Ca 0.34 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 60.10 3f09 h ARG 28 Cb 2.60 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 32.60 3f09 h ARG 28 CO -0.00 0.39 -2.10 -0.89 -1.07 0.00 0.00 179.97 176.30 3f09 n ILE 29 N -3.06 1.10 -3.86 2.04 5.41 -0.15 -4.47 119.36 116.37 3f09 n ILE 29 Ca -0.03 -0.47 -0.33 0.00 1.00 0.00 0.00 62.75 62.92 3f09 n ILE 29 Cb 0.76 -1.08 -0.05 0.00 -0.71 0.00 0.00 39.64 38.56 3f09 n ILE 29 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3f09 s LEU 30 N -5.95 4.37 1.00 1.39 1.43 -0.87 -4.06 118.68 115.99 3f09 s LEU 30 Ca -0.23 0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 3f09 s LEU 30 Cb 0.06 -2.67 0.19 0.00 0.03 0.00 0.00 46.19 43.81 3f09 s LEU 30 CO 0.48 0.25 1.10 0.42 0.23 0.00 0.00 176.35 178.83 3f09 s THR 31 N -1.34 1.98 0.21 5.49 -4.23 -1.26 -4.67 115.64 111.82 3f09 s THR 31 Ca 0.28 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.70 3f09 s THR 31 Cb -0.13 -2.55 0.16 0.00 1.34 0.00 0.00 72.50 71.32 3f09 s THR 31 CO 0.19 0.00 1.82 0.11 -0.54 0.00 0.00 174.62 176.20 3f09 h LYS 32 N -1.89 0.73 -0.68 3.99 1.57 -1.97 0.11 116.57 118.42 3f09 h LYS 32 Ca -0.54 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.17 3f09 h LYS 32 Cb 1.33 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.45 3f09 h LYS 32 CO 0.57 0.48 0.31 -0.91 -0.57 0.00 0.00 179.45 179.33 3f09 h ASN 33 N 0.75 0.91 -0.18 0.86 2.35 -1.98 -1.18 115.58 117.10 3f09 h ASN 33 Ca 0.31 -0.15 -0.11 0.00 -0.55 0.00 0.00 56.30 55.80 3f09 h ASN 33 Cb 0.17 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3f09 h ASN 33 CO -0.17 0.81 -0.24 -0.33 -1.65 0.00 0.00 177.43 175.84 3f09 h GLU 34 N 0.96 0.64 -0.65 0.81 5.08 -1.77 -2.86 114.58 116.79 3f09 h GLU 34 Ca 0.23 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3f09 h GLU 34 Cb 0.16 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3f09 h GLU 34 CO -0.03 0.83 0.41 1.96 -1.00 0.00 0.00 179.01 181.18 3f09 h GLN 35 N 0.56 0.88 -0.31 2.33 4.20 -0.30 0.59 115.11 123.05 3f09 h GLN 35 Ca 0.08 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.78 3f09 h GLN 35 Cb 0.72 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.25 3f09 h GLN 35 CO 0.06 0.61 -0.04 1.25 -0.67 0.00 0.00 178.83 180.04 3f09 h HIS 36 N 0.89 -0.09 0.09 2.96 2.76 -1.03 0.11 115.15 120.84 3f09 h HIS 36 Ca 0.24 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.45 3f09 h HIS 36 Cb -0.05 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 3f09 h HIS 36 CO -0.02 -0.10 -0.18 0.87 -1.30 0.00 0.00 177.93 177.21 3f09 h LYS 37 N 0.04 -0.33 -0.59 5.26 1.57 -1.26 -1.82 116.57 119.45 3f09 h LYS 37 Ca 0.15 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.07 3f09 h LYS 37 Cb 0.22 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.51 3f09 h LYS 37 CO -0.29 -0.22 0.08 0.35 -0.57 0.00 0.00 179.45 178.81 3f09 h PHE 38 N -0.34 0.12 0.00 -1.35 3.57 -0.35 -1.15 116.94 117.44 3f09 h PHE 38 Ca 0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3f09 h PHE 38 Cb 0.36 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3f09 h PHE 38 CO -0.18 -0.07 0.00 0.09 -2.23 0.00 0.00 178.31 175.92 3f09 n ASN 39 N -5.18 0.40 0.08 0.41 3.02 0.33 -3.18 115.26 111.15 3f09 n ASN 39 Ca 0.09 0.58 0.12 0.00 -0.03 0.00 0.00 54.58 55.33 3f09 n ASN 39 Cb 0.33 -0.67 0.06 0.00 -0.61 0.00 0.00 39.78 38.89 3f09 n ASN 39 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3f09 h ASN 40 N 0.00 0.00 -3.26 6.41 2.35 -0.33 -3.46 115.58 117.29 3f09 h ASN 40 Ca 0.00 -0.11 -0.53 0.00 -0.55 0.00 0.00 56.30 55.11 3f09 h ASN 40 Cb 0.43 0.00 0.06 0.00 0.05 0.00 0.00 38.32 38.85 3f09 h ASN 40 CO 0.00 0.06 0.79 -0.36 -1.65 0.00 0.00 177.43 176.27 3f09 s PHE 41 N -3.28 3.01 -0.13 1.19 0.08 -1.09 -4.93 117.98 112.83 3f09 s PHE 41 Ca 0.02 0.93 0.15 0.00 0.12 0.00 0.00 56.93 58.15 3f09 s PHE 41 Cb 0.11 -3.86 0.10 0.00 -0.57 0.00 0.00 43.02 38.80 3f09 s PHE 41 CO 0.77 -2.88 1.46 1.79 -0.10 0.00 0.00 175.22 176.25 3f09 h THR 42 N 3.64 0.89 -3.49 0.64 1.35 -1.91 -3.45 112.91 110.57 3f09 h THR 42 Ca -0.45 -2.22 -0.66 0.00 -0.55 0.00 0.00 66.41 62.52 3f09 h THR 42 Cb 1.21 2.41 -0.21 0.00 -1.73 0.00 0.00 68.15 69.84 3f09 h THR 42 CO 0.81 0.50 -0.69 -2.28 -0.25 0.00 0.00 175.52 173.61 3f09 s HIS 43 N -2.99 2.96 0.25 4.73 5.65 -1.26 -5.02 115.29 119.61 3f09 s HIS 43 Ca 0.04 -0.17 -0.04 0.00 0.25 0.00 0.00 55.06 55.14 3f09 s HIS 43 Cb 0.08 -1.81 0.39 0.00 -1.18 0.00 0.00 32.58 30.05 3f09 s HIS 43 CO 0.74 0.14 1.85 1.49 -0.65 0.00 0.00 174.74 178.32 3f09 h GLU 44 N 5.92 0.99 -0.21 2.88 4.57 -2.00 -1.99 114.58 124.75 3f09 h GLU 44 Ca -0.40 -0.06 -0.04 0.00 -1.18 0.00 0.00 59.36 57.68 3f09 h GLU 44 Cb 1.18 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 3f09 h GLU 44 CO 0.56 0.65 -0.05 0.37 -1.18 0.00 0.00 179.01 179.37 3f09 h GLN 45 N 1.02 0.31 -0.18 1.92 5.75 -2.00 -1.43 115.11 120.50 3f09 h GLN 45 Ca 0.41 -0.06 -0.15 0.00 -0.15 0.00 0.00 58.65 58.70 3f09 h GLN 45 Cb 0.23 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 3f09 h GLN 45 CO -0.19 0.38 -0.52 0.00 -2.65 0.00 0.00 178.83 175.85 3f09 h ARG 46 N 0.30 0.51 0.05 1.69 2.47 -1.80 -1.67 114.38 115.93 3f09 h ARG 46 Ca 0.07 -0.31 -0.00 0.00 -1.26 0.00 0.00 59.98 58.48 3f09 h ARG 46 Cb 0.29 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 3f09 h ARG 46 CO 0.01 0.90 -0.02 0.87 0.56 0.00 0.00 179.97 182.29 3f09 h LYS 47 N 0.40 -0.06 -0.63 0.04 1.57 -0.96 -0.89 116.57 116.03 3f09 h LYS 47 Ca 0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3f09 h LYS 47 Cb 1.05 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 3f09 h LYS 47 CO 0.10 -0.03 0.32 0.82 -0.57 0.00 0.00 179.45 180.09 3f09 h ILE 48 N -0.08 1.21 -0.48 1.86 1.08 -1.30 -0.35 117.51 119.46 3f09 h ILE 48 Ca -0.01 -0.56 0.05 0.00 -0.39 0.00 0.00 64.86 63.95 3f09 h ILE 48 Cb 0.06 0.42 -0.05 0.00 -3.07 0.00 0.00 36.82 34.19 3f09 h ILE 48 CO 0.01 0.24 0.21 -0.08 -0.69 0.00 0.00 178.15 177.84 3f09 h GLU 49 N 0.86 0.41 -0.48 2.37 4.81 -1.19 0.22 114.58 121.58 3f09 h GLU 49 Ca 0.22 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.41 3f09 h GLU 49 Cb 0.08 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3f09 h GLU 49 CO -0.03 0.27 0.23 0.35 -0.73 0.00 0.00 179.01 179.10 3f09 h PHE 50 N 0.42 0.69 -0.43 0.92 3.57 -0.66 -1.14 116.94 120.30 3f09 h PHE 50 Ca 0.22 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 3f09 h PHE 50 Cb 0.17 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3f09 h PHE 50 CO -0.13 0.55 0.16 1.25 -2.23 0.00 0.00 178.31 177.91 3f09 h LEU 51 N 0.63 0.60 -0.45 0.59 5.85 -0.78 -1.00 115.31 120.75 3f09 h LEU 51 Ca 0.17 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3f09 h LEU 51 Cb 0.11 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 3f09 h LEU 51 CO -0.02 0.61 0.30 0.00 -0.34 0.00 0.00 178.44 178.99 3f09 h ALA 52 N 1.01 0.57 -0.79 1.25 0.00 -0.77 0.52 119.26 121.06 3f09 h ALA 52 Ca 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3f09 h ALA 52 Cb 0.21 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3f09 h ALA 52 CO -0.01 0.03 0.51 0.78 0.00 0.00 0.00 179.25 180.56 3f09 h GLY 53 N 0.61 1.12 1.03 0.00 0.00 -1.06 -0.27 103.07 104.50 3f09 h GLY 53 Ca 0.17 -0.43 -0.11 0.00 0.00 0.00 0.00 47.33 46.95 3f09 h GLY 53 CO -0.04 0.42 -0.20 3.21 0.00 0.00 0.00 176.54 179.94 3f09 h ARG 54 N 1.07 0.84 -0.07 4.80 2.47 -0.84 -0.49 114.38 122.17 3f09 h ARG 54 Ca 0.29 -0.37 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 3f09 h ARG 54 Cb -0.10 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.19 3f09 h ARG 54 CO -0.06 1.01 0.04 0.35 0.56 0.00 0.00 179.97 181.87 3f09 h PHE 55 N 0.66 0.09 -0.98 3.04 3.57 -0.72 -0.75 116.94 121.85 3f09 h PHE 55 Ca 0.09 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.62 3f09 h PHE 55 Cb 0.76 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.41 3f09 h PHE 55 CO 0.06 0.13 0.64 0.00 -2.23 0.00 0.00 178.31 176.90 3f09 h ALA 56 N 0.96 1.29 -0.54 2.41 0.00 -0.99 -1.16 119.26 121.24 3f09 h ALA 56 Ca 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3f09 h ALA 56 Cb 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3f09 h ALA 56 CO -0.00 0.53 0.23 1.15 0.00 0.00 0.00 179.25 181.15 3f09 h THR 57 N 1.24 1.21 -0.43 0.00 2.02 -0.65 0.53 112.91 116.83 3f09 h THR 57 Ca 0.39 -0.65 -0.10 0.00 0.77 0.00 0.00 66.41 66.81 3f09 h THR 57 Cb -0.01 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3f09 h THR 57 CO -0.12 0.25 -0.15 0.11 0.37 0.00 0.00 175.52 175.98 3f09 h LYS 58 N 0.73 0.80 -0.48 6.66 1.57 -0.70 0.48 116.57 125.63 3f09 h LYS 58 Ca 0.18 -0.29 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 3f09 h LYS 58 Cb 0.18 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 3f09 h LYS 58 CO -0.02 0.90 0.16 0.93 -0.57 0.00 0.00 179.45 180.85 3f09 h GLU 59 N 0.72 0.74 -0.72 3.15 4.39 -1.04 -1.10 114.58 120.72 3f09 h GLU 59 Ca 0.11 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3f09 h GLU 59 Cb 0.65 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 3f09 h GLU 59 CO 0.05 0.70 0.40 0.00 -1.16 0.00 0.00 179.01 179.00 3f09 h ALA 60 N 1.01 0.92 -0.41 3.43 0.00 -0.61 -1.37 119.26 122.23 3f09 h ALA 60 Ca 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3f09 h ALA 60 Cb 0.26 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3f09 h ALA 60 CO -0.01 0.42 0.24 0.35 0.00 0.00 0.00 179.25 180.25 3f09 h PHE 61 N 0.98 0.54 -0.82 0.00 3.57 -0.70 -0.50 116.94 120.01 3f09 h PHE 61 Ca 0.25 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.77 3f09 h PHE 61 Cb 0.02 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 3f09 h PHE 61 CO -0.01 0.38 0.54 1.03 -2.23 0.00 0.00 178.31 178.02 3f09 h SER 62 N 0.53 0.91 -0.38 0.41 0.87 -0.98 -1.70 113.55 113.21 3f09 h SER 62 Ca 0.15 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 3f09 h SER 62 Cb 0.00 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 3f09 h SER 62 CO -0.03 0.64 -0.03 0.11 -0.53 0.00 0.00 176.83 177.00 3f09 h LYS 63 N 1.07 0.78 -0.40 2.24 1.57 -0.91 -1.07 116.57 119.84 3f09 h LYS 63 Ca 0.31 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.77 3f09 h LYS 63 Cb -0.07 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3f09 h LYS 63 CO -0.09 0.80 -0.16 0.00 -0.57 0.00 0.00 179.45 179.43 3f09 h ALA 64 N 1.25 0.96 0.00 3.86 0.00 -0.63 -2.67 119.26 122.03 3f09 h ALA 64 Ca 0.14 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3f09 h ALA 64 Cb 0.48 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3f09 h ALA 64 CO 0.02 0.61 -0.27 1.25 0.00 0.00 0.00 179.25 180.86 3f09 h LEU 65 N 0.67 0.00 0.00 0.00 5.85 -0.98 -3.35 115.31 117.51 3f09 h LEU 65 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3f09 h LEU 65 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3f09 h LEU 65 CO 0.05 0.27 0.00 0.61 -0.34 0.00 0.00 178.44 179.03 3f09 n GLY 66 N 0.40 1.73 0.30 3.75 0.00 -0.44 -4.70 105.19 106.23 3f09 n GLY 66 Ca 0.01 -1.12 0.16 0.00 0.00 0.00 0.00 46.02 45.06 3f09 n GLY 66 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3f09 h THR 67 N 0.00 0.47 -0.41 2.61 1.35 -1.73 0.43 112.91 115.63 3f09 h THR 67 Ca 0.00 -0.10 0.03 0.00 -0.55 0.00 0.00 66.41 65.79 3f09 h THR 67 Cb 0.00 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.46 3f09 h THR 67 CO 0.00 0.02 0.28 1.23 -0.25 0.00 0.00 175.52 176.80 3f09 h GLY 68 N 0.17 0.49 0.24 5.82 0.00 -1.91 -0.11 103.07 107.77 3f09 h GLY 68 Ca -0.00 -0.17 -0.35 0.00 0.00 0.00 0.00 47.33 46.81 3f09 h GLY 68 CO 0.00 0.15 -2.01 1.04 0.00 0.00 0.00 176.54 175.72 3f09 n LEU 69 N -4.48 2.42 -0.05 3.11 4.77 -0.29 -4.55 117.00 117.93 3f09 n LEU 69 Ca 0.04 0.21 0.11 0.00 -0.03 0.00 0.00 56.01 56.34 3f09 n LEU 69 Cb 0.16 -0.99 0.50 0.00 -2.33 0.00 0.00 43.42 40.76 3f09 n LEU 69 CO 0.35 0.69 1.18 1.23 -1.33 0.00 0.00 177.39 179.51 3f09 h GLY 70 N 0.47 0.53 2.00 -0.72 0.00 -0.00 -1.02 103.07 104.32 3f09 h GLY 70 Ca -0.48 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3f09 h GLY 70 CO -0.10 0.11 0.00 0.07 0.00 0.00 0.00 176.54 176.62 3f09 h LYS 71 N 0.40 0.00 -0.00 4.80 2.10 -1.26 -1.81 116.57 120.80 3f09 h LYS 71 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 3f09 h LYS 71 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 3f09 h LYS 71 CO -0.06 0.00 -0.12 0.72 -2.00 0.00 0.00 179.45 177.98 3f09 n HIS 72 N -2.83 0.00 -3.19 0.07 8.25 -0.39 -4.81 115.22 112.32 3f09 n HIS 72 Ca -0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 3f09 n HIS 72 Cb 0.19 -0.41 -0.07 0.00 1.12 0.00 0.00 29.99 30.81 3f09 n HIS 72 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3f09 s VAL 73 N -2.94 5.00 0.35 1.59 1.01 -0.68 -5.04 120.40 119.69 3f09 s VAL 73 Ca 0.15 0.75 -0.28 0.00 0.00 0.00 0.00 61.98 62.60 3f09 s VAL 73 Cb 0.19 -3.93 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 3f09 s VAL 73 CO 0.56 -0.08 1.40 0.00 0.00 0.00 0.00 175.10 176.98 3f09 s ALA 74 N 2.46 3.54 0.36 5.51 0.00 -1.26 -4.90 121.76 127.47 3f09 s ALA 74 Ca 0.22 1.42 0.19 0.00 0.00 0.00 0.00 51.96 53.79 3f09 s ALA 74 Cb -0.15 -3.54 1.03 0.00 0.00 0.00 0.00 23.12 20.45 3f09 s ALA 74 CO 0.11 -0.85 1.93 0.74 0.00 0.00 0.00 175.76 177.70 3f09 h PHE 75 N 3.26 0.00 -0.02 0.00 0.04 -1.85 -1.21 116.94 117.16 3f09 h PHE 75 Ca -0.50 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.27 3f09 h PHE 75 Cb 1.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.38 3f09 h PHE 75 CO 0.55 0.25 0.00 0.27 -0.60 0.00 0.00 178.31 178.77 3f09 n ASN 76 N -3.86 0.14 -0.78 2.17 6.94 -1.26 -2.32 115.26 116.29 3f09 n ASN 76 Ca -0.02 -1.60 0.11 0.00 -0.02 0.00 0.00 54.58 53.06 3f09 n ASN 76 Cb 0.33 -0.01 0.07 0.00 -2.36 0.00 0.00 39.78 37.81 3f09 n ASN 76 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3f09 n ASP 77 N -0.62 2.60 -4.18 0.53 8.00 -0.46 -4.56 116.55 117.87 3f09 n ASP 77 Ca 0.10 -1.80 -0.36 0.00 0.71 0.00 0.00 54.79 53.44 3f09 n ASP 77 Cb 0.07 0.12 -0.13 0.00 -0.02 0.00 0.00 41.12 41.16 3f09 n ASP 77 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3f09 s ILE 78 N -1.96 3.32 -0.47 0.53 -1.09 -0.98 -5.00 121.20 115.55 3f09 s ILE 78 Ca 0.23 -1.56 -0.17 0.00 -2.23 0.00 0.00 60.65 56.92 3f09 s ILE 78 Cb 0.18 -3.03 0.05 0.00 -1.58 0.00 0.00 42.46 38.08 3f09 s ILE 78 CO 0.34 -0.34 0.50 -0.62 -1.23 0.00 0.00 174.94 173.59 3f09 s ASP 79 N 1.52 6.19 -0.45 3.58 2.15 -1.26 -4.70 116.67 123.70 3f09 s ASP 79 Ca 0.00 -0.95 -0.21 0.00 0.43 0.00 0.00 52.55 51.83 3f09 s ASP 79 Cb -0.21 -2.24 0.03 0.00 -0.30 0.00 0.00 42.92 40.20 3f09 s ASP 79 CO -0.01 -0.72 0.64 0.00 -0.17 0.00 0.00 175.17 174.91 3f09 s TYR 81 N 2.81 2.13 -0.08 0.00 -0.85 0.10 -4.85 117.35 116.59 3f09 s TYR 81 Ca 0.22 -0.70 0.04 0.00 -0.52 0.00 0.00 57.07 56.10 3f09 s TYR 81 Cb -0.15 -1.97 -0.01 0.00 0.38 0.00 0.00 41.96 40.21 3f09 s TYR 81 CO 0.18 -0.20 -0.20 -0.80 -1.52 0.00 0.00 175.55 173.01 3f09 s ASN 82 N -4.13 3.46 1.07 -0.18 -0.87 -1.26 0.04 114.94 113.06 3f09 s ASN 82 Ca 0.38 -0.43 -0.10 0.00 -1.57 0.00 0.00 52.86 51.14 3f09 s ASN 82 Cb -0.01 -1.15 0.14 0.00 -0.02 0.00 0.00 41.25 40.22 3f09 s ASN 82 CO 0.22 0.22 0.65 -0.90 -2.57 0.00 0.00 177.10 174.73 3f09 n ASP 83 N 3.11 -0.78 0.25 -1.22 5.68 -0.09 -4.79 116.55 118.71 3f09 n ASP 83 Ca -0.18 -1.06 0.17 0.00 -0.50 0.00 0.00 54.79 53.23 3f09 n ASP 83 Cb 0.52 -0.55 0.85 0.00 -1.14 0.00 0.00 41.12 40.81 3f09 n ASP 83 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3f09 h GLU 84 N 0.00 0.00 -0.48 0.11 3.07 -2.01 0.14 114.58 115.41 3f09 h GLU 84 Ca -0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 3f09 h GLU 84 Cb 0.66 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 3f09 h GLU 84 CO 0.15 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 179.04 3f09 n LEU 85 N -2.72 3.61 0.00 1.33 4.77 -1.26 -4.95 117.00 117.77 3f09 n LEU 85 Ca -0.01 -1.62 0.00 0.00 -0.03 0.00 0.00 56.01 54.34 3f09 n LEU 85 Cb 0.12 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 3f09 n LEU 85 CO 0.18 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 3f09 n GLY 86 N 1.56 0.58 3.74 -0.72 0.00 0.48 -5.04 105.19 105.79 3f09 n GLY 86 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3f09 n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3f09 s LYS 87 N -0.10 4.59 0.37 1.61 2.20 -1.26 -4.67 119.74 122.49 3f09 s LYS 87 Ca 0.00 1.73 -0.26 0.00 -0.36 0.00 0.00 55.97 57.08 3f09 s LYS 87 Cb 0.00 -3.27 -0.09 0.00 -1.51 0.00 0.00 37.83 32.96 3f09 s LYS 87 CO 0.00 0.08 1.19 -1.25 -0.36 0.00 0.00 175.35 175.01 3f09 s PRO 88 N -0.46 4.17 -0.06 4.03 0.04 -1.26 -0.91 135.00 140.55 3f09 s PRO 88 Ca 0.49 1.92 -0.14 0.00 0.04 0.00 0.00 61.00 63.30 3f09 s PRO 88 Cb -0.30 -2.81 0.03 0.00 0.04 0.00 0.00 34.50 31.46 3f09 s PRO 88 CO 0.35 -0.24 0.33 0.15 0.04 0.00 0.00 177.00 177.64 3f09 s LYS 89 N -2.11 0.59 -0.03 4.56 1.02 0.11 -4.57 119.74 119.31 3f09 s LYS 89 Ca 0.54 0.05 0.02 0.00 0.02 0.00 0.00 55.97 56.60 3f09 s LYS 89 Cb -0.33 0.27 0.01 0.00 -0.52 0.00 0.00 37.83 37.26 3f09 s LYS 89 CO 0.42 -0.14 -0.08 0.42 -0.92 0.00 0.00 175.35 175.05 3f09 s ILE 90 N -0.81 0.70 -0.17 2.17 1.01 -1.26 -0.73 121.20 122.12 3f09 s ILE 90 Ca -0.09 -0.29 -0.07 0.00 0.00 0.00 0.00 60.65 60.20 3f09 s ILE 90 Cb -0.04 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 3f09 s ILE 90 CO 0.03 0.24 0.07 -1.81 0.00 0.00 0.00 174.94 173.47 3f09 s ASP 91 N 0.41 5.71 -0.22 3.58 1.01 -1.26 -4.41 116.67 121.49 3f09 s ASP 91 Ca -0.06 0.13 -0.06 0.00 0.71 0.00 0.00 52.55 53.28 3f09 s ASP 91 Cb -0.10 -1.94 0.11 0.00 1.01 0.00 0.00 42.92 42.00 3f09 s ASP 91 CO 0.01 0.21 0.43 -0.47 0.21 0.00 0.00 175.17 175.56 3f09 s TYR 92 N 0.13 -0.89 0.18 4.23 5.04 -1.26 -4.91 117.35 119.87 3f09 s TYR 92 Ca 0.05 1.39 -0.33 0.00 -2.44 0.00 0.00 57.07 55.75 3f09 s TYR 92 Cb -0.12 0.27 -0.15 0.00 0.35 0.00 0.00 41.96 42.31 3f09 s TYR 92 CO 0.00 -0.58 1.35 -1.91 -1.34 0.00 0.00 175.55 173.07 3f09 n GLU 93 N 5.39 1.63 0.00 4.97 2.13 -1.26 -1.76 120.64 131.74 3f09 n GLU 93 Ca -0.07 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.34 3f09 n GLU 93 Cb 0.50 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 30.00 3f09 n GLU 93 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3f09 n GLY 94 N 2.37 1.18 3.28 8.31 0.00 -1.26 -5.04 105.19 114.03 3f09 n GLY 94 Ca 0.15 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 3f09 n GLY 94 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3f09 s PHE 95 N -2.29 1.40 -0.26 1.61 0.08 -0.72 -1.98 117.98 115.82 3f09 s PHE 95 Ca 0.00 -0.75 -0.06 0.00 0.12 0.00 0.00 56.93 56.24 3f09 s PHE 95 Cb 0.00 -0.72 -0.01 0.00 -0.57 0.00 0.00 43.02 41.72 3f09 s PHE 95 CO 0.00 0.11 0.04 0.42 -0.10 0.00 0.00 175.22 175.69 3f09 s ILE 96 N -3.27 3.89 -0.22 0.64 1.01 0.34 -4.61 121.20 118.97 3f09 s ILE 96 Ca 0.20 -0.46 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 3f09 s ILE 96 Cb 0.03 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 3f09 s ILE 96 CO 0.03 0.27 0.13 -0.69 0.00 0.00 0.00 174.94 174.68 3f09 s VAL 97 N 1.53 5.15 -0.13 2.92 1.01 -1.26 -0.83 120.40 128.79 3f09 s VAL 97 Ca 0.05 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 3f09 s VAL 97 Cb -0.16 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3f09 s VAL 97 CO 0.01 0.38 -0.05 -1.00 0.00 0.00 0.00 175.10 174.44 3f09 s HIS 98 N 0.87 2.99 0.01 5.22 3.76 -0.21 -4.69 115.29 123.25 3f09 s HIS 98 Ca 0.06 -0.24 0.02 0.00 -0.15 0.00 0.00 55.06 54.75 3f09 s HIS 98 Cb -0.13 -1.89 -0.01 0.00 1.11 0.00 0.00 32.58 31.66 3f09 s HIS 98 CO 0.03 0.05 -0.07 0.08 -0.85 0.00 0.00 174.74 173.98 3f09 s VAL 99 N 0.06 0.49 -0.04 -0.90 1.01 -1.26 -0.89 120.40 118.86 3f09 s VAL 99 Ca -0.01 -0.54 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3f09 s VAL 99 Cb -0.14 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.79 3f09 s VAL 99 CO 0.03 -0.05 0.10 -0.55 0.00 0.00 0.00 175.10 174.64 3f09 s SER 100 N -0.64 -0.08 -0.03 3.32 0.15 -0.35 -4.78 113.70 111.30 3f09 s SER 100 Ca -0.02 0.21 0.06 0.00 0.70 0.00 0.00 55.95 56.90 3f09 s SER 100 Cb -0.05 0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.41 3f09 s SER 100 CO 0.00 -0.08 -0.20 -0.63 1.20 0.00 0.00 173.24 173.53 3f09 s ILE 101 N 0.50 1.58 0.02 6.45 1.01 -1.26 -1.05 121.20 128.45 3f09 s ILE 101 Ca -0.04 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.81 3f09 s ILE 101 Cb -0.05 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 41.08 3f09 s ILE 101 CO -0.02 0.45 -0.10 -0.55 0.00 0.00 0.00 174.94 174.72 3f09 s SER 102 N -0.33 1.16 0.01 3.58 0.15 -0.58 -5.00 113.70 112.69 3f09 s SER 102 Ca 0.04 -0.35 0.04 0.00 0.70 0.00 0.00 55.95 56.38 3f09 s SER 102 Cb -0.09 -0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.14 3f09 s SER 102 CO 0.00 0.00 -0.13 -1.00 1.20 0.00 0.00 173.24 173.31 3f09 s HIS 103 N -0.70 1.15 0.43 3.44 3.76 -1.26 -0.69 115.29 121.42 3f09 s HIS 103 Ca -0.01 -0.26 0.01 0.00 -0.15 0.00 0.00 55.06 54.66 3f09 s HIS 103 Cb -0.06 -0.72 -0.00 0.00 1.11 0.00 0.00 32.58 32.90 3f09 s HIS 103 CO 0.00 -0.00 0.05 0.25 -0.85 0.00 0.00 174.74 174.19 3f09 n THR 104 N 2.49 0.00 -0.28 1.30 -2.24 0.04 -5.01 114.28 110.56 3f09 n THR 104 Ca -0.15 -2.18 0.05 0.00 -2.27 0.00 0.00 64.05 59.50 3f09 n THR 104 Cb 0.55 0.56 0.27 0.00 -2.10 0.00 0.00 70.33 69.61 3f09 n THR 104 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3f09 h GLU 105 N 0.00 0.92 0.00 -0.78 4.81 -2.03 -3.26 114.58 114.24 3f09 h GLU 105 Ca -0.35 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 3f09 h GLU 105 Cb 1.15 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3f09 h GLU 105 CO 0.58 0.61 -0.62 0.72 -0.73 0.00 0.00 179.01 179.57 3f09 n HIS 106 N -4.50 0.00 -4.06 0.92 8.25 -1.26 -4.86 115.22 109.70 3f09 n HIS 106 Ca 0.14 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.47 3f09 n HIS 106 Cb 0.24 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.20 3f09 n HIS 106 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3f09 s TYR 107 N -2.01 0.66 0.08 4.41 2.02 -1.23 -0.76 117.35 120.51 3f09 s TYR 107 Ca 0.02 -0.51 0.08 0.00 -0.37 0.00 0.00 57.07 56.30 3f09 s TYR 107 Cb 0.07 -0.40 -0.03 0.00 -0.40 0.00 0.00 41.96 41.20 3f09 s TYR 107 CO 0.38 -0.09 -0.22 0.00 -1.57 0.00 0.00 175.55 174.06 3f09 s ALA 108 N -1.41 1.85 0.11 3.71 0.00 -0.29 -0.78 121.76 124.94 3f09 s ALA 108 Ca -0.10 -1.19 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 3f09 s ALA 108 Cb -0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 3f09 s ALA 108 CO 0.00 0.40 0.07 0.00 0.00 0.00 0.00 175.76 176.23 3f09 s MET 109 N -1.59 0.87 -0.04 0.00 0.23 0.13 -0.70 119.30 118.21 3f09 s MET 109 Ca 0.08 -1.33 -0.10 0.00 -1.03 0.00 0.00 55.69 53.30 3f09 s MET 109 Cb -0.09 0.26 0.02 0.00 -1.53 0.00 0.00 34.83 33.48 3f09 s MET 109 CO 0.03 -0.24 0.24 0.45 -2.03 0.00 0.00 175.02 173.47 3f09 s SER 110 N -3.00 -0.15 0.03 -1.18 0.15 -0.54 -1.52 113.70 107.49 3f09 s SER 110 Ca 0.18 0.15 0.05 0.00 0.70 0.00 0.00 55.95 57.04 3f09 s SER 110 Cb 0.07 0.36 -0.02 0.00 -1.71 0.00 0.00 66.02 64.72 3f09 s SER 110 CO -0.02 -0.30 -0.15 0.00 1.20 0.00 0.00 173.24 173.97 3f09 s GLN 111 N -0.82 1.04 -0.03 5.44 -2.07 -0.22 -1.14 119.66 121.87 3f09 s GLN 111 Ca -0.09 -0.76 0.04 0.00 -1.82 0.00 0.00 55.36 52.73 3f09 s GLN 111 Cb -0.05 -1.06 -0.00 0.00 -1.09 0.00 0.00 33.01 30.81 3f09 s GLN 111 CO 0.02 0.27 -0.13 0.08 -1.32 0.00 0.00 175.29 174.21 3f09 s VAL 112 N -0.78 1.07 -0.11 3.63 1.01 -0.21 -1.21 120.40 123.80 3f09 s VAL 112 Ca 0.03 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3f09 s VAL 112 Cb -0.08 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.39 3f09 s VAL 112 CO 0.01 0.32 -0.18 -0.69 0.00 0.00 0.00 175.10 174.56 3f09 s VAL 113 N -0.03 1.69 -0.44 2.92 1.01 -0.07 -1.11 120.40 124.37 3f09 s VAL 113 Ca -0.00 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.05 3f09 s VAL 113 Cb -0.08 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.82 3f09 s VAL 113 CO 0.01 0.48 0.36 -0.76 0.00 0.00 0.00 175.10 175.18 3f09 s LEU 114 N 0.80 5.29 0.07 3.92 1.43 -0.10 -1.05 118.68 129.04 3f09 s LEU 114 Ca -0.10 -1.05 -0.20 0.00 -1.03 0.00 0.00 54.13 51.75 3f09 s LEU 114 Cb -0.16 -2.19 -0.07 0.00 0.03 0.00 0.00 46.19 43.80 3f09 s LEU 114 CO 0.01 -0.55 0.59 -0.70 0.23 0.00 0.00 176.35 175.93 3f09 s GLU 115 N 1.72 4.25 0.26 1.70 2.12 -0.01 -0.68 118.70 128.06 3f09 s GLU 115 Ca 0.05 0.77 -0.29 0.00 0.36 0.00 0.00 54.97 55.86 3f09 s GLU 115 Cb -0.21 -3.26 -0.09 0.00 0.26 0.00 0.00 34.13 30.83 3f09 s GLU 115 CO 0.09 0.59 1.17 0.15 -0.54 0.00 0.00 175.26 176.72 3f09 s LYS 116 N -0.95 4.54 0.24 4.30 1.02 0.59 -0.50 119.74 128.98 3f09 s LYS 116 Ca 0.30 1.91 0.02 0.00 0.02 0.00 0.00 55.97 58.21 3f09 s LYS 116 Cb -0.20 -3.18 0.26 0.00 -0.52 0.00 0.00 37.83 34.19 3f09 s LYS 116 CO 0.19 0.04 1.59 0.77 -0.92 0.00 0.00 175.35 177.03 3f09 h SER 117 N 4.17 0.44 -0.11 2.83 0.02 -1.70 -3.43 113.55 115.77 3f09 h SER 117 Ca -0.46 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.27 3f09 h SER 117 Cb 1.21 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3f09 h SER 117 CO 0.69 0.86 0.00 0.00 -1.14 0.00 0.00 176.83 177.24 3f09 n ALA 118 N -2.49 0.00 -0.47 3.77 0.00 -1.26 -5.06 120.51 114.99 3f09 n ALA 118 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3f09 n ALA 118 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3f09 n ALA 118 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69