#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf9 s PHE 12 N 0.00 3.11 0.47 1.08 0.40 -0.40 -4.99 117.98 117.65 3cf9 s PHE 12 Ca 0.00 -0.20 0.07 0.00 -0.60 0.00 0.00 56.93 56.20 3cf9 s PHE 12 Cb 0.00 -2.04 0.03 0.00 0.51 0.00 0.00 43.02 41.52 3cf9 s PHE 12 CO 0.00 -0.02 0.65 -0.06 0.70 0.00 0.00 175.22 176.48 3cf9 s PHE 13 N 0.54 2.60 0.32 0.36 0.40 -1.26 -0.78 117.98 120.16 3cf9 s PHE 13 Ca -0.00 -0.37 0.09 0.00 -0.60 0.00 0.00 56.93 56.04 3cf9 s PHE 13 Cb -0.14 -2.44 0.91 0.00 0.51 0.00 0.00 43.02 41.87 3cf9 s PHE 13 CO 0.02 -0.63 1.65 0.97 0.70 0.00 0.00 175.22 177.93 3cf9 h ILE 14 N 0.45 0.28 -0.80 0.64 6.09 -1.90 0.11 117.51 122.38 3cf9 h ILE 14 Ca -0.39 -0.09 0.07 0.00 -1.37 0.00 0.00 64.86 63.09 3cf9 h ILE 14 Cb 1.28 0.01 -0.05 0.00 0.47 0.00 0.00 36.82 38.53 3cf9 h ILE 14 CO 0.45 0.05 0.52 1.05 -3.07 0.00 0.00 178.15 177.15 3cf9 h GLU 15 N 0.25 0.82 0.04 2.19 4.11 -1.94 -0.05 114.58 119.99 3cf9 h GLU 15 Ca 0.65 -0.05 -0.28 0.00 0.07 0.00 0.00 59.36 59.75 3cf9 h GLU 15 Cb 1.42 -0.18 0.02 0.00 0.50 0.00 0.00 28.75 30.51 3cf9 h GLU 15 CO -0.65 0.54 -1.11 0.45 0.07 0.00 0.00 179.01 178.31 3cf9 h HIS 16 N 0.84 1.03 -0.99 2.06 3.86 -1.18 -3.18 115.15 117.60 3cf9 h HIS 16 Ca 0.35 -0.59 0.04 0.00 -1.16 0.00 0.00 60.37 59.01 3cf9 h HIS 16 Cb 0.28 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.58 3cf9 h HIS 16 CO -0.00 1.43 0.65 0.82 0.86 0.00 0.00 177.93 181.68 3cf9 h ILE 17 N 0.36 1.15 0.00 2.45 2.04 -0.85 -2.28 117.51 120.38 3cf9 h ILE 17 Ca -0.15 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 3cf9 h ILE 17 Cb 1.77 -0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3cf9 h ILE 17 CO 0.22 0.22 -0.20 -0.07 0.00 0.00 0.00 178.15 178.32 3cf9 h LEU 18 N 1.23 0.00 0.00 1.44 3.38 -1.06 -0.11 115.31 120.18 3cf9 h LEU 18 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3cf9 h LEU 18 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3cf9 h LEU 18 CO -0.13 0.20 -0.12 1.56 0.09 0.00 0.00 178.44 180.04 3cf9 h GLN 19 N 0.00 0.00 0.00 1.13 4.20 -1.39 -3.39 115.11 115.65 3cf9 h GLN 19 Ca -0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.40 3cf9 h GLN 19 Cb 0.46 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.19 3cf9 h GLN 19 CO 0.03 0.00 -2.01 -0.89 -0.67 0.00 0.00 178.83 175.28 3cf9 n ILE 20 N -2.75 0.99 -2.86 2.54 2.08 -1.00 -4.40 119.36 113.96 3cf9 n ILE 20 Ca 0.04 -0.26 -0.40 0.00 0.56 0.00 0.00 62.75 62.69 3cf9 n ILE 20 Cb 0.50 -1.73 -0.05 0.00 -0.75 0.00 0.00 39.64 37.60 3cf9 n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3cf9 s LEU 21 N -6.96 4.56 0.37 1.39 1.43 -0.09 -4.83 118.68 114.56 3cf9 s LEU 21 Ca -0.25 1.73 0.25 0.00 -1.03 0.00 0.00 54.13 54.82 3cf9 s LEU 21 Cb 0.10 -3.44 0.60 0.00 0.03 0.00 0.00 46.19 43.49 3cf9 s LEU 21 CO 0.32 0.10 1.70 1.55 0.23 0.00 0.00 176.35 180.25 3cf9 h PRO 22 N 4.80 0.00 -6.99 1.29 0.13 -1.87 -3.43 132.00 125.92 3cf9 h PRO 22 Ca -0.45 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.13 3cf9 h PRO 22 Cb 1.21 0.00 0.13 0.00 0.13 0.00 0.00 31.00 32.46 3cf9 h PRO 22 CO 0.69 0.00 0.70 0.72 -0.23 0.00 0.00 178.00 179.87 3cf9 n HIS 23 N -2.80 2.68 -4.28 1.56 8.25 -1.26 -5.04 115.22 114.33 3cf9 n HIS 23 Ca 0.04 0.44 -0.15 0.00 -0.26 0.00 0.00 57.72 57.79 3cf9 n HIS 23 Cb 0.47 -2.45 -0.05 0.00 1.12 0.00 0.00 29.99 29.08 3cf9 n HIS 23 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3cf9 n ARG 24 N -0.29 0.54 -1.94 -0.41 5.12 -1.26 -4.66 116.66 113.76 3cf9 n ARG 24 Ca 0.06 -2.22 -0.41 0.00 -1.93 0.00 0.00 57.85 53.34 3cf9 n ARG 24 Cb 0.42 1.42 -0.02 0.00 -1.16 0.00 0.00 32.46 33.12 3cf9 n ARG 24 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3cf9 s TYR 25 N -2.67 2.93 -0.62 -1.55 6.14 -1.26 0.60 117.35 120.92 3cf9 s TYR 25 Ca 0.18 0.96 -0.01 0.00 0.64 0.00 0.00 57.07 58.84 3cf9 s TYR 25 Cb 0.01 -3.90 0.47 0.00 0.42 0.00 0.00 41.96 38.96 3cf9 s TYR 25 CO 0.13 -2.94 1.97 -0.35 0.64 0.00 0.00 175.55 174.99 3cf9 n PRO 26 N 2.23 2.71 -0.04 4.97 -0.04 -1.26 -4.92 135.00 138.65 3cf9 n PRO 26 Ca 0.07 -3.33 0.03 0.00 -0.04 0.00 0.00 63.50 60.23 3cf9 n PRO 26 Cb 0.39 -2.28 0.04 0.00 -0.04 0.00 0.00 33.50 31.62 3cf9 n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3cf9 n MET 27 N -0.93 2.08 -3.23 0.54 2.81 0.20 -4.93 117.12 113.66 3cf9 n MET 27 Ca 0.61 -1.67 -0.43 0.00 -1.81 0.00 0.00 57.70 54.40 3cf9 n MET 27 Cb 0.77 -1.06 -0.07 0.00 -0.71 0.00 0.00 33.22 32.15 3cf9 n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3cf9 s LEU 28 N -1.36 4.96 -0.19 4.03 2.96 -0.39 -4.58 118.68 124.10 3cf9 s LEU 28 Ca 0.09 -0.82 0.14 0.00 -0.22 0.00 0.00 54.13 53.32 3cf9 s LEU 28 Cb 0.08 -2.43 0.40 0.00 0.50 0.00 0.00 46.19 44.74 3cf9 s LEU 28 CO 0.01 -0.76 1.26 0.18 -1.32 0.00 0.00 176.35 175.73 3cf9 n LEU 29 N 5.90 2.99 -4.05 -0.68 4.77 -1.26 -4.91 117.00 119.75 3cf9 n LEU 29 Ca -0.07 -3.48 -0.27 0.00 -0.03 0.00 0.00 56.01 52.17 3cf9 n LEU 29 Cb 0.46 -0.52 -0.17 0.00 -2.33 0.00 0.00 43.42 40.87 3cf9 n LEU 29 CO 0.51 1.04 -0.49 -0.69 -1.33 0.00 0.00 177.39 176.43 3cf9 s VAL 30 N -3.06 1.35 -0.18 4.08 1.01 -1.26 -4.56 120.40 117.77 3cf9 s VAL 30 Ca 0.38 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.85 3cf9 s VAL 30 Cb 0.34 -1.23 -0.22 0.00 0.00 0.00 0.00 36.38 35.27 3cf9 s VAL 30 CO -0.00 0.41 0.10 0.47 0.00 0.00 0.00 175.10 176.08 3cf9 n ASP 31 N 3.92 1.13 -3.64 3.32 10.43 0.16 -4.96 116.55 126.90 3cf9 n ASP 31 Ca -0.21 0.05 -0.14 0.00 2.57 0.00 0.00 54.79 57.06 3cf9 n ASP 31 Cb 0.52 0.08 -0.08 0.00 1.84 0.00 0.00 41.12 43.48 3cf9 n ASP 31 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3cf9 s ARG 32 N -2.53 0.78 -0.26 -1.24 3.52 -1.02 -2.88 118.95 115.32 3cf9 s ARG 32 Ca -0.20 0.71 -0.07 0.00 -0.13 0.00 0.00 55.73 56.05 3cf9 s ARG 32 Cb 0.07 0.38 -0.02 0.00 -1.56 0.00 0.00 34.95 33.82 3cf9 s ARG 32 CO 0.74 -0.13 0.07 0.42 -0.81 0.00 0.00 175.30 175.59 3cf9 s ILE 33 N -0.01 4.19 -0.17 4.11 -1.09 0.04 -1.15 121.20 127.12 3cf9 s ILE 33 Ca -0.03 -0.31 0.17 0.00 -2.23 0.00 0.00 60.65 58.26 3cf9 s ILE 33 Cb -0.04 -3.00 -0.25 0.00 -1.58 0.00 0.00 42.46 37.60 3cf9 s ILE 33 CO 0.03 0.28 0.18 0.35 -1.23 0.00 0.00 174.94 174.55 3cf9 n THR 34 N 4.91 1.43 -4.11 2.92 -2.24 -0.27 -1.27 114.28 115.65 3cf9 n THR 34 Ca -0.16 -0.85 -0.17 0.00 -2.27 0.00 0.00 64.05 60.60 3cf9 n THR 34 Cb 0.51 -0.57 -0.15 0.00 -2.10 0.00 0.00 70.33 68.01 3cf9 n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3cf9 s GLU 35 N -2.51 0.52 -0.04 -0.78 2.02 -0.53 -4.62 118.70 112.76 3cf9 s GLU 35 Ca -0.09 -0.10 -0.01 0.00 0.02 0.00 0.00 54.97 54.79 3cf9 s GLU 35 Cb 0.06 -0.55 0.03 0.00 0.10 0.00 0.00 34.13 33.77 3cf9 s GLU 35 CO 0.83 0.00 0.02 -1.17 0.02 0.00 0.00 175.26 174.96 3cf9 s LEU 36 N 0.44 0.70 -0.16 1.80 2.96 -1.26 -0.92 118.68 122.23 3cf9 s LEU 36 Ca -0.05 0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 3cf9 s LEU 36 Cb -0.08 -0.21 0.04 0.00 0.50 0.00 0.00 46.19 46.43 3cf9 s LEU 36 CO -0.00 -0.17 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.71 3cf9 s GLN 37 N 1.59 1.38 0.16 1.98 -0.21 -0.20 -5.02 119.66 119.34 3cf9 s GLN 37 Ca -0.02 -0.50 -0.33 0.00 0.02 0.00 0.00 55.36 54.53 3cf9 s GLN 37 Cb -0.13 -1.99 -0.13 0.00 1.00 0.00 0.00 33.01 31.77 3cf9 s GLN 37 CO -0.03 -0.44 1.66 0.00 -2.12 0.00 0.00 175.29 174.36 3cf9 n ALA 38 N 4.89 1.88 -1.21 6.09 0.00 -1.26 -1.58 120.51 129.31 3cf9 n ALA 38 Ca -0.12 0.41 -0.07 0.00 0.00 0.00 0.00 53.44 53.66 3cf9 n ALA 38 Cb 0.48 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.46 3cf9 n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3cf9 n ASN 39 N 3.93 -5.04 0.00 0.00 5.03 -1.26 -4.79 115.26 113.13 3cf9 n ASN 39 Ca 0.17 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.80 3cf9 n ASN 39 Cb 0.31 -3.19 0.00 0.00 -1.02 0.00 0.00 39.78 35.89 3cf9 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cf9 n GLN 40 N -1.25 0.00 -3.79 3.52 6.02 -0.62 -4.77 117.38 116.50 3cf9 n GLN 40 Ca -0.07 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.83 3cf9 n GLN 40 Cb 0.43 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.66 3cf9 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3cf9 s LYS 41 N -0.94 1.52 -0.05 -1.09 -2.85 -0.91 -1.61 119.74 113.82 3cf9 s LYS 41 Ca 0.00 -0.94 -0.04 0.00 -1.00 0.00 0.00 55.97 54.00 3cf9 s LYS 41 Cb 0.00 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.33 3cf9 s LYS 41 CO 0.00 -0.66 0.12 -1.50 0.10 0.00 0.00 175.35 173.40 3cf9 s ILE 42 N -3.90 -0.01 -0.15 3.79 2.07 0.43 -1.03 121.20 122.40 3cf9 s ILE 42 Ca 0.11 0.02 0.02 0.00 -1.41 0.00 0.00 60.65 59.39 3cf9 s ILE 42 Cb -0.02 -0.17 0.01 0.00 0.13 0.00 0.00 42.46 42.40 3cf9 s ILE 42 CO 0.01 0.01 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.15 3cf9 s VAL 43 N 0.18 2.04 0.20 4.00 1.01 -0.10 -1.48 120.40 126.25 3cf9 s VAL 43 Ca -0.01 -0.96 -0.03 0.00 0.00 0.00 0.00 61.98 60.98 3cf9 s VAL 43 Cb -0.02 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3cf9 s VAL 43 CO -0.00 0.54 0.18 0.00 0.00 0.00 0.00 175.10 175.82 3cf9 s ALA 44 N 0.90 0.88 0.10 5.51 0.00 -0.30 -1.11 121.76 127.74 3cf9 s ALA 44 Ca -0.05 -1.52 -0.06 0.00 0.00 0.00 0.00 51.96 50.33 3cf9 s ALA 44 Cb -0.15 1.27 -0.02 0.00 0.00 0.00 0.00 23.12 24.22 3cf9 s ALA 44 CO -0.04 -0.62 0.15 1.52 0.00 0.00 0.00 175.76 176.77 3cf9 s TYR 45 N -4.12 0.36 -0.07 0.00 1.13 -0.30 0.14 117.35 114.48 3cf9 s TYR 45 Ca 0.34 -0.79 0.03 0.00 -1.41 0.00 0.00 57.07 55.24 3cf9 s TYR 45 Cb 0.06 -0.17 0.01 0.00 -1.10 0.00 0.00 41.96 40.75 3cf9 s TYR 45 CO 0.10 -0.54 -0.15 0.21 -2.51 0.00 0.00 175.55 172.66 3cf9 s LYS 46 N -3.92 1.96 0.31 -3.49 2.20 0.45 -0.67 119.74 116.59 3cf9 s LYS 46 Ca 0.10 -0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 54.92 3cf9 s LYS 46 Cb 0.05 -1.58 -0.10 0.00 -1.51 0.00 0.00 37.83 34.70 3cf9 s LYS 46 CO -0.07 0.06 1.14 -0.80 -0.36 0.00 0.00 175.35 175.32 3cf9 s ASN 47 N 0.59 7.09 -0.23 1.43 0.01 -1.26 -0.35 114.94 122.22 3cf9 s ASN 47 Ca -0.15 2.34 -0.05 0.00 -0.71 0.00 0.00 52.86 54.29 3cf9 s ASN 47 Cb -0.16 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 38.85 3cf9 s ASN 47 CO 0.05 -0.28 0.01 -0.63 -1.51 0.00 0.00 177.10 174.74 3cf9 s ILE 48 N -1.21 3.81 0.11 0.60 -1.09 0.15 -4.90 121.20 118.67 3cf9 s ILE 48 Ca 0.47 -0.35 0.06 0.00 -2.23 0.00 0.00 60.65 58.61 3cf9 s ILE 48 Cb -0.33 -2.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.77 3cf9 s ILE 48 CO 0.42 0.39 -0.15 0.28 -1.23 0.00 0.00 174.94 174.65 3cf9 s THR 49 N 1.44 1.34 0.44 2.92 -1.32 -1.26 0.47 115.64 119.67 3cf9 s THR 49 Ca 0.05 -1.57 0.12 0.00 -1.21 0.00 0.00 61.69 59.08 3cf9 s THR 49 Cb -0.15 -1.41 0.21 0.00 -1.51 0.00 0.00 72.50 69.65 3cf9 s THR 49 CO 0.00 -0.30 2.02 0.15 -2.21 0.00 0.00 174.62 174.29 3cf9 h PHE 50 N 3.83 0.18 0.00 9.09 3.57 -1.95 -3.26 116.94 128.40 3cf9 h PHE 50 Ca -0.41 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3cf9 h PHE 50 Cb 1.19 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.88 3cf9 h PHE 50 CO 0.64 0.22 0.00 -1.71 -2.23 0.00 0.00 178.31 175.23 3cf9 n ASN 51 N -4.39 1.78 -4.30 0.41 4.05 -1.26 -4.75 115.26 106.80 3cf9 n ASN 51 Ca -0.01 -1.32 -0.31 0.00 0.45 0.00 0.00 54.58 53.38 3cf9 n ASN 51 Cb 0.18 -0.36 -0.16 0.00 1.23 0.00 0.00 39.78 40.66 3cf9 n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3cf9 s GLU 52 N 1.08 2.36 0.44 1.20 2.02 -1.23 -5.04 118.70 119.52 3cf9 s GLU 52 Ca 0.00 -0.91 0.10 0.00 0.02 0.00 0.00 54.97 54.18 3cf9 s GLU 52 Cb 0.00 -2.12 0.98 0.00 0.10 0.00 0.00 34.13 33.09 3cf9 s GLU 52 CO 0.00 0.47 2.08 0.22 0.02 0.00 0.00 175.26 178.05 3cf9 h ASP 53 N 5.78 0.34 -0.82 -0.19 3.58 -1.94 -2.51 116.42 120.65 3cf9 h ASP 53 Ca -0.37 -0.01 0.16 0.00 0.42 0.00 0.00 57.03 57.23 3cf9 h ASP 53 Cb 1.15 -0.08 -0.06 0.00 1.72 0.00 0.00 39.33 42.06 3cf9 h ASP 53 CO 0.47 0.24 0.55 -0.37 -2.88 0.00 0.00 179.24 177.25 3cf9 h VAL 54 N 0.40 0.77 0.00 2.25 -1.51 -1.96 -2.12 116.25 114.08 3cf9 h VAL 54 Ca 0.12 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 3cf9 h VAL 54 Cb -0.01 0.26 0.00 0.00 -2.13 0.00 0.00 31.29 29.41 3cf9 h VAL 54 CO -0.03 0.08 0.00 0.49 -1.23 0.00 0.00 177.57 176.89 3cf9 n PHE 55 N -4.50 0.64 0.21 5.19 3.01 -0.95 -1.94 117.46 119.12 3cf9 n PHE 55 Ca 0.16 0.26 0.06 0.00 1.01 0.00 0.00 57.45 58.94 3cf9 n PHE 55 Cb 0.57 -0.92 0.54 0.00 -0.01 0.00 0.00 39.48 39.65 3cf9 n PHE 55 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3cf9 h ASN 56 N 0.00 0.07 -0.00 4.37 2.35 -1.57 -3.29 115.58 117.51 3cf9 h ASN 56 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3cf9 h ASN 56 Cb 0.30 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3cf9 h ASN 56 CO 0.00 0.15 -0.09 0.61 -1.65 0.00 0.00 177.43 176.45 3cf9 n GLY 57 N -1.25 -0.34 2.27 2.83 0.00 -0.82 -4.16 105.19 103.74 3cf9 n GLY 57 Ca -0.02 -0.14 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 3cf9 n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3cf9 n HIS 58 N -0.28 -0.66 -4.42 1.61 -0.00 -0.96 -4.48 115.22 106.03 3cf9 n HIS 58 Ca 0.02 -3.41 -0.21 0.00 -0.00 0.00 0.00 57.72 54.12 3cf9 n HIS 58 Cb 0.10 -0.08 -0.10 0.00 -0.00 0.00 0.00 29.99 29.91 3cf9 n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3cf9 s PHE 59 N -0.70 1.96 0.31 1.57 0.40 0.59 -1.54 117.98 120.56 3cf9 s PHE 59 Ca 0.34 -0.58 -0.29 0.00 -0.60 0.00 0.00 56.93 55.80 3cf9 s PHE 59 Cb 0.13 -1.01 -0.12 0.00 0.51 0.00 0.00 43.02 42.52 3cf9 s PHE 59 CO -0.14 0.40 1.38 -2.30 0.70 0.00 0.00 175.22 175.26 3cf9 n PRO 60 N -0.54 2.23 -0.49 0.24 -0.02 -1.26 -1.85 135.00 133.31 3cf9 n PRO 60 Ca -0.06 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3cf9 n PRO 60 Cb 0.62 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3cf9 n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3cf9 n ASN 61 N 1.34 0.00 -3.38 2.55 4.13 -1.26 -4.83 115.26 113.81 3cf9 n ASN 61 Ca 0.07 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.11 3cf9 n ASN 61 Cb 0.35 -2.46 -0.09 0.00 -1.54 0.00 0.00 39.78 36.04 3cf9 n ASN 61 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3cf9 s LYS 62 N -0.98 0.66 -0.20 3.52 2.20 -0.77 -5.13 119.74 119.04 3cf9 s LYS 62 Ca 0.00 -1.21 -0.29 0.00 -0.36 0.00 0.00 55.97 54.10 3cf9 s LYS 62 Cb 0.00 -0.99 -0.02 0.00 -1.51 0.00 0.00 37.83 35.30 3cf9 s LYS 62 CO 0.00 -1.23 1.49 -1.25 -0.36 0.00 0.00 175.35 174.00 3cf9 s PRO 63 N 1.08 3.97 -0.07 4.03 0.04 -1.24 -0.30 135.00 142.51 3cf9 s PRO 63 Ca 0.20 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.89 3cf9 s PRO 63 Cb -0.15 -3.94 0.03 0.00 0.04 0.00 0.00 34.50 30.47 3cf9 s PRO 63 CO -0.04 -1.07 -0.01 0.42 0.04 0.00 0.00 177.00 176.34 3cf9 s ILE 64 N 4.52 0.45 0.07 0.56 1.01 -0.59 -4.59 121.20 122.63 3cf9 s ILE 64 Ca 0.65 0.06 -0.31 0.00 0.00 0.00 0.00 60.65 61.06 3cf9 s ILE 64 Cb -0.24 -0.58 -0.08 0.00 0.01 0.00 0.00 42.46 41.57 3cf9 s ILE 64 CO 0.25 0.27 1.65 0.12 0.00 0.00 0.00 174.94 177.23 3cf9 s PHE 65 N 1.82 2.42 0.15 3.97 5.36 0.70 -4.56 117.98 127.84 3cf9 s PHE 65 Ca 0.03 0.32 -0.34 0.00 -0.96 0.00 0.00 56.93 55.99 3cf9 s PHE 65 Cb -0.12 -3.96 -0.13 0.00 -0.34 0.00 0.00 43.02 38.46 3cf9 s PHE 65 CO -0.05 -3.85 1.62 -2.30 -1.46 0.00 0.00 175.22 169.18 3cf9 n PRO 66 N 5.62 2.27 -0.28 10.12 -0.02 -1.26 -4.59 135.00 146.86 3cf9 n PRO 66 Ca 0.16 0.82 0.13 0.00 -2.02 0.00 0.00 63.50 62.58 3cf9 n PRO 66 Cb 0.41 -2.61 0.38 0.00 -0.02 0.00 0.00 33.50 31.66 3cf9 n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3cf9 h GLY 67 N 6.29 1.25 2.00 -1.23 0.00 -1.99 -0.45 103.07 108.95 3cf9 h GLY 67 Ca -0.45 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 46.55 3cf9 h GLY 67 CO 0.90 0.07 -0.15 -0.39 0.00 0.00 0.00 176.54 176.97 3cf9 h VAL 68 N 0.69 0.63 0.00 4.60 -1.51 -2.00 -2.45 116.25 116.20 3cf9 h VAL 68 Ca 0.47 -0.64 -0.12 0.00 -1.23 0.00 0.00 66.70 65.18 3cf9 h VAL 68 Cb 0.78 1.41 -0.02 0.00 -2.13 0.00 0.00 31.29 31.33 3cf9 h VAL 68 CO -0.22 0.14 -1.05 -0.07 -1.23 0.00 0.00 177.57 175.14 3cf9 h LEU 69 N 0.00 0.00 0.03 4.19 3.38 -1.46 -1.73 115.31 119.72 3cf9 h LEU 69 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3cf9 h LEU 69 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3cf9 h LEU 69 CO 0.02 0.44 -0.07 0.40 0.09 0.00 0.00 178.44 179.32 3cf9 h ILE 70 N 0.00 0.84 -0.58 1.22 2.04 -0.99 -1.01 117.51 119.03 3cf9 h ILE 70 Ca -0.09 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.79 3cf9 h ILE 70 Cb 1.41 0.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 3cf9 h ILE 70 CO 0.04 0.00 0.37 0.58 0.00 0.00 0.00 178.15 179.14 3cf9 h VAL 71 N -0.13 1.11 -0.51 1.67 2.07 -1.41 -0.46 116.25 118.59 3cf9 h VAL 71 Ca 0.02 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.33 3cf9 h VAL 71 Cb 0.15 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.17 3cf9 h VAL 71 CO -0.05 0.14 0.26 -0.08 0.02 0.00 0.00 177.57 177.85 3cf9 h GLU 72 N 0.75 0.48 -0.49 1.57 4.57 -1.26 0.78 114.58 120.99 3cf9 h GLU 72 Ca 0.22 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 3cf9 h GLU 72 Cb -0.04 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 3cf9 h GLU 72 CO -0.07 0.32 0.32 0.78 -1.18 0.00 0.00 179.01 179.18 3cf9 h GLY 73 N 0.50 0.69 1.03 1.92 0.00 -0.77 0.47 103.07 106.91 3cf9 h GLY 73 Ca 0.23 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.32 3cf9 h GLY 73 CO -0.16 0.25 0.60 -0.33 0.00 0.00 0.00 176.54 176.91 3cf9 h MET 74 N 0.66 1.15 -0.42 4.80 2.86 -0.81 -0.66 114.93 122.51 3cf9 h MET 74 Ca 0.18 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.61 3cf9 h MET 74 Cb -0.07 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.31 3cf9 h MET 74 CO -0.04 0.76 -0.28 0.00 1.06 0.00 0.00 176.91 178.41 3cf9 h ALA 75 N 1.45 0.70 -0.36 6.32 0.00 -0.29 -1.00 119.26 126.08 3cf9 h ALA 75 Ca 0.35 -0.41 -0.13 0.00 0.00 0.00 0.00 54.91 54.72 3cf9 h ALA 75 Cb -0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3cf9 h ALA 75 CO -0.09 0.67 -0.31 1.96 0.00 0.00 0.00 179.25 181.47 3cf9 h GLN 76 N 0.77 0.79 -0.26 0.00 4.20 -0.69 0.30 115.11 120.21 3cf9 h GLN 76 Ca 0.09 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.44 3cf9 h GLN 76 Cb 0.85 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 3cf9 h GLN 76 CO 0.07 0.99 0.17 0.77 -0.67 0.00 0.00 178.83 180.16 3cf9 h SER 77 N 0.66 0.30 -0.78 1.46 0.02 -1.04 -0.81 113.55 113.36 3cf9 h SER 77 Ca 0.07 -0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3cf9 h SER 77 Cb 0.85 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.26 3cf9 h SER 77 CO 0.07 0.22 0.50 1.23 -1.14 0.00 0.00 176.83 177.72 3cf9 h GLY 78 N 0.35 1.14 0.83 -3.77 0.00 -0.88 -2.12 103.07 98.62 3cf9 h GLY 78 Ca 0.09 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.08 3cf9 h GLY 78 CO -0.02 0.32 0.31 -1.33 0.00 0.00 0.00 176.54 175.81 3cf9 h GLY 79 N 0.97 0.75 1.00 4.60 0.00 -0.11 0.73 103.07 111.01 3cf9 h GLY 79 Ca 0.32 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 3cf9 h GLY 79 CO -0.12 0.18 0.41 -2.75 0.00 0.00 0.00 176.54 174.27 3cf9 h PHE 80 N 0.61 0.87 -0.83 5.60 3.57 -0.81 0.24 116.94 126.19 3cf9 h PHE 80 Ca 0.22 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.69 3cf9 h PHE 80 Cb 0.05 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.47 3cf9 h PHE 80 CO -0.07 0.58 0.39 1.25 -2.23 0.00 0.00 178.31 178.23 3cf9 h LEU 81 N 0.91 1.09 0.11 0.59 5.85 -1.09 -2.17 115.31 120.60 3cf9 h LEU 81 Ca 0.24 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3cf9 h LEU 81 Cb -0.04 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.71 3cf9 h LEU 81 CO -0.05 0.93 -0.05 0.00 -0.34 0.00 0.00 178.44 178.93 3cf9 h ALA 82 N 1.24 -0.14 -0.50 1.25 0.00 -0.30 -1.94 119.26 118.87 3cf9 h ALA 82 Ca 0.28 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.14 3cf9 h ALA 82 Cb 0.13 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 3cf9 h ALA 82 CO -0.03 -0.43 -0.03 0.74 0.00 0.00 0.00 179.25 179.50 3cf9 h PHE 83 N -0.44 -0.08 0.12 0.00 0.04 -0.50 -2.49 116.94 113.59 3cf9 h PHE 83 Ca -0.01 0.04 -0.27 0.00 2.80 0.00 0.00 57.97 60.52 3cf9 h PHE 83 Cb 0.36 0.11 0.01 0.00 2.20 0.00 0.00 35.95 38.63 3cf9 h PHE 83 CO 0.02 -0.14 -1.21 1.79 -0.60 0.00 0.00 178.31 178.17 3cf9 h THR 84 N 0.09 1.49 -0.51 -1.55 1.35 -1.40 -1.48 112.91 110.90 3cf9 h THR 84 Ca 0.25 -2.99 -0.02 0.00 -0.55 0.00 0.00 66.41 63.10 3cf9 h THR 84 Cb 0.38 2.89 -0.02 0.00 -1.73 0.00 0.00 68.15 69.66 3cf9 h THR 84 CO -0.44 0.87 0.23 0.28 -0.25 0.00 0.00 175.52 176.22 3cf9 h SER 85 N 0.09 0.64 0.14 5.36 0.02 -1.35 0.47 113.55 118.92 3cf9 h SER 85 Ca -0.13 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 3cf9 h SER 85 Cb 1.93 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.31 3cf9 h SER 85 CO 0.20 0.55 -0.07 0.25 -1.14 0.00 0.00 176.83 176.63 3cf9 h LEU 86 N 0.71 -0.16 -0.44 5.07 5.85 -1.29 -3.42 115.31 121.63 3cf9 h LEU 86 Ca 0.18 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.51 3cf9 h LEU 86 Cb 0.09 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3cf9 h LEU 86 CO -0.02 0.40 0.00 0.79 -0.34 0.00 0.00 178.44 179.27 3cf9 n TRP 87 N -4.90 0.00 -4.19 1.25 8.01 -0.57 -5.12 117.44 111.91 3cf9 n TRP 87 Ca -0.08 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.11 3cf9 n TRP 87 Cb 0.27 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.57 3cf9 n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3cf9 n GLY 88 N 0.29 -1.50 3.55 6.99 0.00 0.16 -4.44 105.19 110.25 3cf9 n GLY 88 Ca 0.00 -1.29 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 3cf9 n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3cf9 s PHE 89 N 0.00 2.60 -0.39 1.61 5.36 -1.26 -4.35 117.98 121.55 3cf9 s PHE 89 Ca 0.00 -0.97 0.01 0.00 -0.96 0.00 0.00 56.93 55.02 3cf9 s PHE 89 Cb 0.00 -4.68 0.12 0.00 -0.34 0.00 0.00 43.02 38.12 3cf9 s PHE 89 CO 0.00 -1.89 0.17 0.34 -1.46 0.00 0.00 175.22 172.38 3cf9 s ASP 90 N 4.80 3.91 0.50 6.13 -1.08 -1.26 -4.98 116.67 124.69 3cf9 s ASP 90 Ca 0.46 -2.28 0.16 0.00 -0.52 0.00 0.00 52.55 50.38 3cf9 s ASP 90 Cb 0.00 -1.07 1.22 0.00 -1.46 0.00 0.00 42.92 41.62 3cf9 s ASP 90 CO -0.08 -0.32 2.10 -0.65 0.52 0.00 0.00 175.17 176.74 3cf9 h PRO 91 N 7.25 0.10 -0.07 4.34 0.11 -1.90 -2.54 132.00 139.28 3cf9 h PRO 91 Ca -0.06 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 3cf9 h PRO 91 Cb 0.96 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 3cf9 h PRO 91 CO 0.49 0.06 -0.02 0.93 -0.21 0.00 0.00 178.00 179.25 3cf9 h GLU 92 N 0.10 0.13 -0.47 1.05 4.39 -1.94 -2.12 114.58 115.73 3cf9 h GLU 92 Ca 0.08 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 3cf9 h GLU 92 Cb 0.20 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3cf9 h GLU 92 CO -0.01 0.49 -0.00 0.97 -1.16 0.00 0.00 179.01 179.29 3cf9 h ILE 93 N -0.22 1.26 -0.82 3.13 2.10 -1.96 -3.19 117.51 117.81 3cf9 h ILE 93 Ca 0.02 -1.06 0.12 0.00 1.08 0.00 0.00 64.86 65.01 3cf9 h ILE 93 Cb 0.44 1.02 -0.06 0.00 -1.09 0.00 0.00 36.82 37.13 3cf9 h ILE 93 CO 0.01 0.37 0.54 0.00 -1.08 0.00 0.00 178.15 177.98 3cf9 h ALA 94 N 0.92 1.83 0.00 0.18 0.00 -1.41 -2.48 119.26 118.30 3cf9 h ALA 94 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3cf9 h ALA 94 Cb 0.51 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3cf9 h ALA 94 CO 0.02 -0.03 0.00 0.36 0.00 0.00 0.00 179.25 179.61 3cf9 n LYS 95 N -4.52 0.04 0.07 0.00 2.85 -0.80 -1.90 118.16 113.89 3cf9 n LYS 95 Ca 0.15 0.32 0.01 0.00 -1.05 0.00 0.00 58.31 57.74 3cf9 n LYS 95 Cb 0.40 -1.58 -0.05 0.00 -0.65 0.00 0.00 35.03 33.15 3cf9 n LYS 95 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 3cf9 h THR 96 N 0.00 0.55 -2.13 0.58 1.35 -1.60 -3.49 112.91 108.17 3cf9 h THR 96 Ca 0.00 -1.97 -0.45 0.00 -0.55 0.00 0.00 66.41 63.44 3cf9 h THR 96 Cb 0.24 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 3cf9 h THR 96 CO 0.00 0.31 -0.35 -0.54 -0.25 0.00 0.00 175.52 174.69 3cf9 s LYS 97 N -2.97 3.30 0.28 4.72 -0.14 -0.80 -4.62 119.74 119.51 3cf9 s LYS 97 Ca -0.01 -0.80 0.02 0.00 -1.36 0.00 0.00 55.97 53.82 3cf9 s LYS 97 Cb 0.08 -2.82 -0.05 0.00 -1.68 0.00 0.00 37.83 33.37 3cf9 s LYS 97 CO 0.79 0.22 0.12 0.96 -0.76 0.00 0.00 175.35 176.68 3cf9 s ILE 98 N -2.12 0.46 -0.11 2.17 -4.36 0.17 -4.72 121.20 112.69 3cf9 s ILE 98 Ca 0.40 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.79 3cf9 s ILE 98 Cb -0.09 -2.58 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 3cf9 s ILE 98 CO 0.31 0.00 -0.13 -0.69 0.24 0.00 0.00 174.94 174.67 3cf9 s VAL 99 N -3.71 3.09 -0.14 8.37 1.01 -1.26 -1.72 120.40 126.05 3cf9 s VAL 99 Ca 0.37 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 3cf9 s VAL 99 Cb 0.07 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 3cf9 s VAL 99 CO 0.15 0.54 -0.13 -0.31 0.00 0.00 0.00 175.10 175.36 3cf9 s TYR 100 N 0.04 2.82 0.07 5.22 1.51 0.21 -4.98 117.35 122.24 3cf9 s TYR 100 Ca -0.04 -0.71 -0.31 0.00 -1.01 0.00 0.00 57.07 55.00 3cf9 s TYR 100 Cb -0.14 -1.87 -0.07 0.00 -0.11 0.00 0.00 41.96 39.77 3cf9 s TYR 100 CO 0.04 -0.26 1.43 -0.06 -1.11 0.00 0.00 175.55 175.59 3cf9 s PHE 101 N 0.49 2.99 -0.25 2.71 0.40 -1.26 -0.21 117.98 122.84 3cf9 s PHE 101 Ca -0.09 0.82 -0.15 0.00 -0.60 0.00 0.00 56.93 56.91 3cf9 s PHE 101 Cb -0.16 -3.71 -0.10 0.00 0.51 0.00 0.00 43.02 39.56 3cf9 s PHE 101 CO 0.04 -2.61 -0.36 -1.33 0.70 0.00 0.00 175.22 171.66 3cf9 n MET 102 N 4.69 0.57 -3.97 0.44 2.81 0.27 -4.92 117.12 117.01 3cf9 n MET 102 Ca 0.13 0.24 -0.09 0.00 -1.81 0.00 0.00 57.70 56.17 3cf9 n MET 102 Cb 0.42 -1.47 -0.10 0.00 -0.71 0.00 0.00 33.22 31.37 3cf9 n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3cf9 s THR 103 N -2.62 0.13 -0.02 2.03 -4.23 -0.97 -4.98 115.64 104.97 3cf9 s THR 103 Ca -0.36 -1.07 0.03 0.00 -1.18 0.00 0.00 61.69 59.12 3cf9 s THR 103 Cb 0.12 -0.65 -0.00 0.00 1.34 0.00 0.00 72.50 73.30 3cf9 s THR 103 CO 0.47 -0.59 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.22 3cf9 s ILE 104 N -2.14 0.93 0.08 2.99 1.01 -1.26 -1.76 121.20 121.05 3cf9 s ILE 104 Ca -0.09 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 3cf9 s ILE 104 Cb -0.04 -0.81 0.04 0.00 0.01 0.00 0.00 42.46 41.66 3cf9 s ILE 104 CO -0.03 0.28 0.42 -0.62 0.00 0.00 0.00 174.94 174.99 3cf9 s ASP 105 N 0.01 -0.28 -1.36 3.58 2.15 -0.14 -4.98 116.67 115.66 3cf9 s ASP 105 Ca -0.01 -0.11 -0.06 0.00 0.43 0.00 0.00 52.55 52.81 3cf9 s ASP 105 Cb -0.08 0.45 0.03 0.00 -0.30 0.00 0.00 42.92 43.02 3cf9 s ASP 105 CO 0.00 -0.74 0.97 0.29 -0.17 0.00 0.00 175.17 175.52 3cf9 n LYS 106 N 0.21 -6.24 -3.59 4.34 5.02 -1.26 -0.66 118.16 115.98 3cf9 n LYS 106 Ca -0.18 0.72 -0.37 0.00 -2.02 0.00 0.00 58.31 56.46 3cf9 n LYS 106 Cb 0.61 -5.59 -0.07 0.00 -0.02 0.00 0.00 35.03 29.97 3cf9 n LYS 106 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3cf9 s VAL 107 N -3.42 5.29 -0.04 -0.18 0.11 -1.26 -3.87 120.40 117.03 3cf9 s VAL 107 Ca 0.33 0.54 0.00 0.00 -2.93 0.00 0.00 61.98 59.92 3cf9 s VAL 107 Cb -0.16 -3.60 0.03 0.00 -1.53 0.00 0.00 36.38 31.11 3cf9 s VAL 107 CO 0.78 0.47 -0.01 -0.54 -3.33 0.00 0.00 175.10 172.46 3cf9 s LYS 108 N -0.09 0.54 -0.21 1.54 1.02 -0.91 -4.96 119.74 116.66 3cf9 s LYS 108 Ca 0.17 0.03 -0.09 0.00 0.02 0.00 0.00 55.97 56.11 3cf9 s LYS 108 Cb -0.13 -0.72 -0.04 0.00 -0.52 0.00 0.00 37.83 36.41 3cf9 s LYS 108 CO 0.06 -0.16 0.11 -0.06 -0.92 0.00 0.00 175.35 174.37 3cf9 s PHE 109 N 1.25 3.28 -0.14 3.18 0.40 -1.26 -0.72 117.98 123.96 3cf9 s PHE 109 Ca -0.06 0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.39 3cf9 s PHE 109 Cb -0.13 -2.17 -0.10 0.00 0.51 0.00 0.00 43.02 41.13 3cf9 s PHE 109 CO -0.02 0.09 -0.12 0.54 0.70 0.00 0.00 175.22 176.41 3cf9 n ARG 110 N 3.92 0.43 -4.07 0.44 1.74 0.49 -4.98 116.66 114.63 3cf9 n ARG 110 Ca -0.16 0.08 -0.21 0.00 -0.77 0.00 0.00 57.85 56.79 3cf9 n ARG 110 Cb 0.52 -1.29 -0.17 0.00 -1.02 0.00 0.00 32.46 30.50 3cf9 n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3cf9 s ILE 111 N -2.29 0.54 0.34 0.55 1.01 -1.16 -5.04 121.20 115.15 3cf9 s ILE 111 Ca -0.19 -0.08 -0.27 0.00 0.00 0.00 0.00 60.65 60.10 3cf9 s ILE 111 Cb 0.05 -0.59 -0.12 0.00 0.01 0.00 0.00 42.46 41.81 3cf9 s ILE 111 CO 0.34 0.24 1.19 -0.81 0.00 0.00 0.00 174.94 175.91 3cf9 n PRO 112 N 4.34 1.85 -4.05 2.79 -0.04 -1.26 -4.81 135.00 133.82 3cf9 n PRO 112 Ca -0.20 0.65 -0.35 0.00 -0.04 0.00 0.00 63.50 63.56 3cf9 n PRO 112 Cb 0.51 -2.19 -0.09 0.00 -0.04 0.00 0.00 33.50 31.69 3cf9 n PRO 112 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3cf9 s VAL 113 N -1.11 4.84 0.14 0.52 1.01 -1.26 -5.03 120.40 119.52 3cf9 s VAL 113 Ca 0.57 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.55 3cf9 s VAL 113 Cb -0.60 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3cf9 s VAL 113 CO 0.61 0.52 -0.03 0.42 0.00 0.00 0.00 175.10 176.62 3cf9 s THR 114 N -0.11 0.72 0.21 3.92 -4.23 -1.26 -0.22 115.64 114.67 3cf9 s THR 114 Ca 0.07 -1.97 -0.32 0.00 -1.18 0.00 0.00 61.69 58.29 3cf9 s THR 114 Cb -0.12 -1.95 -0.14 0.00 1.34 0.00 0.00 72.50 71.63 3cf9 s THR 114 CO 0.01 -0.63 1.33 -2.65 -0.54 0.00 0.00 174.62 172.13 3cf9 n PRO 115 N -0.17 1.73 0.00 3.99 -0.02 -1.26 -1.67 135.00 137.60 3cf9 n PRO 115 Ca -0.09 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 3cf9 n PRO 115 Cb 0.62 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3cf9 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cf9 n GLY 116 N 2.15 1.43 3.79 -1.23 0.00 0.18 -4.89 105.19 106.61 3cf9 n GLY 116 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 3cf9 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cf9 s ASP 117 N -1.64 7.23 -0.46 1.61 -0.00 -0.67 -4.91 116.67 117.83 3cf9 s ASP 117 Ca 0.00 1.75 -0.14 0.00 -0.00 0.00 0.00 52.55 54.16 3cf9 s ASP 117 Cb 0.00 -2.55 0.07 0.00 -0.00 0.00 0.00 42.92 40.44 3cf9 s ASP 117 CO 0.00 -0.11 0.37 -0.60 -0.00 0.00 0.00 175.17 174.83 3cf9 s ARG 118 N -2.24 2.92 -0.49 8.23 3.52 -1.26 -0.67 118.95 128.95 3cf9 s ARG 118 Ca 0.51 -1.36 -0.24 0.00 -0.13 0.00 0.00 55.73 54.52 3cf9 s ARG 118 Cb -0.17 -4.07 0.03 0.00 -1.56 0.00 0.00 34.95 29.19 3cf9 s ARG 118 CO 0.22 -1.00 0.86 -1.17 -0.81 0.00 0.00 175.30 173.40 3cf9 s LEU 119 N 1.61 4.17 -0.22 -0.88 2.96 0.52 -4.38 118.68 122.46 3cf9 s LEU 119 Ca 0.04 -0.17 -0.10 0.00 -0.22 0.00 0.00 54.13 53.69 3cf9 s LEU 119 Cb -0.24 -2.96 -0.05 0.00 0.50 0.00 0.00 46.19 43.45 3cf9 s LEU 119 CO 0.06 -1.05 0.13 -0.70 -1.32 0.00 0.00 176.35 173.47 3cf9 s GLU 120 N 3.59 4.04 -0.21 1.98 2.12 0.75 -0.41 118.70 130.57 3cf9 s GLU 120 Ca 0.31 -0.29 -0.10 0.00 0.36 0.00 0.00 54.97 55.25 3cf9 s GLU 120 Cb -0.12 -3.44 -0.05 0.00 0.26 0.00 0.00 34.13 30.78 3cf9 s GLU 120 CO 0.22 0.13 0.14 0.71 -0.54 0.00 0.00 175.26 175.91 3cf9 s TYR 121 N 0.84 3.36 -0.29 5.30 1.51 0.37 0.20 117.35 128.63 3cf9 s TYR 121 Ca 0.07 0.26 0.03 0.00 -1.01 0.00 0.00 57.07 56.42 3cf9 s TYR 121 Cb -0.13 -2.19 0.08 0.00 -0.11 0.00 0.00 41.96 39.61 3cf9 s TYR 121 CO 0.02 0.19 -0.01 -1.01 -1.11 0.00 0.00 175.55 173.64 3cf9 s HIS 122 N 0.63 3.14 -0.06 2.71 3.76 -0.09 -1.15 115.29 124.22 3cf9 s HIS 122 Ca 0.07 -2.44 0.05 0.00 -0.15 0.00 0.00 55.06 52.60 3cf9 s HIS 122 Cb -0.12 -2.26 -0.01 0.00 1.11 0.00 0.00 32.58 31.30 3cf9 s HIS 122 CO 0.01 -0.89 -0.23 -0.51 -0.85 0.00 0.00 174.74 172.27 3cf9 s LEU 123 N 1.13 2.19 0.21 0.89 2.01 -0.55 -1.25 118.68 123.31 3cf9 s LEU 123 Ca 0.02 -0.46 0.10 0.00 0.01 0.00 0.00 54.13 53.80 3cf9 s LEU 123 Cb -0.19 -1.41 -0.04 0.00 0.01 0.00 0.00 46.19 44.56 3cf9 s LEU 123 CO -0.09 0.25 -0.11 -1.83 1.01 0.00 0.00 176.35 175.59 3cf9 s GLU 124 N -0.21 1.99 -0.08 1.70 -1.05 -0.38 -0.43 118.70 120.25 3cf9 s GLU 124 Ca -0.02 -1.39 -0.25 0.00 -0.15 0.00 0.00 54.97 53.16 3cf9 s GLU 124 Cb -0.13 -2.07 -0.03 0.00 -0.44 0.00 0.00 34.13 31.45 3cf9 s GLU 124 CO 0.03 0.40 0.77 0.54 0.95 0.00 0.00 175.26 177.96 3cf9 s VAL 125 N -1.92 4.98 -0.10 1.83 0.11 -0.63 -1.36 120.40 123.31 3cf9 s VAL 125 Ca 0.26 1.58 -0.01 0.00 -2.93 0.00 0.00 61.98 60.88 3cf9 s VAL 125 Cb -0.08 -4.10 -0.25 0.00 -1.53 0.00 0.00 36.38 30.42 3cf9 s VAL 125 CO 0.15 0.19 0.43 0.18 -3.33 0.00 0.00 175.10 172.72 3cf9 n LEU 126 N 4.11 2.16 -3.64 2.54 4.77 0.72 -4.94 117.00 122.73 3cf9 n LEU 126 Ca 0.01 0.25 -0.10 0.00 -0.03 0.00 0.00 56.01 56.14 3cf9 n LEU 126 Cb 0.51 -0.76 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 3cf9 n LEU 126 CO 0.48 0.73 0.69 -0.75 -1.33 0.00 0.00 177.39 177.21 3cf9 s LYS 127 N -2.57 0.56 -0.04 3.23 2.20 -0.98 -5.03 119.74 117.11 3cf9 s LYS 127 Ca -0.18 0.67 -0.11 0.00 -0.36 0.00 0.00 55.97 55.98 3cf9 s LYS 127 Cb 0.07 0.27 0.02 0.00 -1.51 0.00 0.00 37.83 36.68 3cf9 s LYS 127 CO 0.78 -0.07 0.26 -3.38 -0.36 0.00 0.00 175.35 172.58 3cf9 s HIS 128 N 0.27 -0.16 -0.25 4.03 -3.43 -1.26 0.05 115.29 114.54 3cf9 s HIS 128 Ca 0.03 0.31 -0.05 0.00 -0.80 0.00 0.00 55.06 54.54 3cf9 s HIS 128 Cb -0.05 0.06 0.13 0.00 -1.43 0.00 0.00 32.58 31.29 3cf9 s HIS 128 CO -0.05 -0.29 0.48 0.21 -2.00 0.00 0.00 174.74 173.08 3cf9 s LYS 129 N -0.91 0.42 6.77 -0.38 2.20 -0.17 -5.03 119.74 122.64 3cf9 s LYS 129 Ca -0.10 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 3cf9 s LYS 129 Cb -0.05 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 3cf9 s LYS 129 CO 0.02 -0.43 0.00 0.41 -0.36 0.00 0.00 175.35 174.99 3cf9 n GLY 130 N 5.40 4.06 0.00 5.54 0.00 -1.26 -0.64 105.19 118.29 3cf9 n GLY 130 Ca -0.06 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.27 3cf9 n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cf9 n MET 131 N 14.00 0.01 -3.11 1.61 2.81 -1.26 -4.85 117.12 126.33 3cf9 n MET 131 Ca 0.00 0.01 -0.41 0.00 -1.81 0.00 0.00 57.70 55.48 3cf9 n MET 131 Cb 0.00 -1.51 -0.06 0.00 -0.71 0.00 0.00 33.22 30.94 3cf9 n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3cf9 s ILE 132 N -3.01 4.93 -0.14 2.02 -1.09 0.19 -2.48 121.20 121.62 3cf9 s ILE 132 Ca 0.12 0.84 0.01 0.00 -2.23 0.00 0.00 60.65 59.39 3cf9 s ILE 132 Cb 0.18 -4.01 0.02 0.00 -1.58 0.00 0.00 42.46 37.06 3cf9 s ILE 132 CO 0.63 -0.16 -0.17 0.26 -1.23 0.00 0.00 174.94 174.27 3cf9 s TRP 133 N 2.63 2.30 -0.31 3.97 0.52 -0.32 -1.00 118.94 126.74 3cf9 s TRP 133 Ca 0.25 -1.23 -0.10 0.00 0.02 0.00 0.00 56.10 55.04 3cf9 s TRP 133 Cb -0.15 -1.64 -0.01 0.00 -1.15 0.00 0.00 33.47 30.52 3cf9 s TRP 133 CO 0.12 -0.63 0.15 -1.14 0.02 0.00 0.00 176.95 175.47 3cf9 s GLN 134 N 1.20 3.37 0.23 4.98 0.74 0.11 -0.62 119.66 129.68 3cf9 s GLN 134 Ca -0.00 -0.70 0.11 0.00 0.05 0.00 0.00 55.36 54.82 3cf9 s GLN 134 Cb -0.14 -3.56 -0.05 0.00 1.10 0.00 0.00 33.01 30.37 3cf9 s GLN 134 CO -0.07 -0.40 -0.20 0.14 -0.55 0.00 0.00 175.29 174.21 3cf9 s VAL 135 N 1.62 2.25 0.01 1.34 -7.23 0.91 -0.20 120.40 119.10 3cf9 s VAL 135 Ca 0.05 -2.23 -0.16 0.00 -1.81 0.00 0.00 61.98 57.83 3cf9 s VAL 135 Cb -0.17 -2.16 0.03 0.00 0.56 0.00 0.00 36.38 34.63 3cf9 s VAL 135 CO 0.06 -0.36 0.34 -0.83 -0.31 0.00 0.00 175.10 174.00 3cf9 s GLY 136 N -3.19 -0.18 0.00 2.32 0.00 -0.47 -0.43 107.32 105.38 3cf9 s GLY 136 Ca 0.25 0.25 0.00 0.00 0.00 0.00 0.00 44.72 45.22 3cf9 s GLY 136 CO 0.11 0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.85 3cf9 n GLY 137 N 0.88 -0.68 3.26 0.20 0.00 -0.71 -1.24 105.19 106.90 3cf9 n GLY 137 Ca -0.20 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 3cf9 n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cf9 s THR 138 N -4.00 1.06 -0.09 2.61 -4.23 -0.38 -2.01 115.64 108.60 3cf9 s THR 138 Ca 0.00 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 3cf9 s THR 138 Cb 0.00 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 3cf9 s THR 138 CO 0.00 -0.63 -0.08 0.00 -0.54 0.00 0.00 174.62 173.36 3cf9 s ALA 139 N -3.40 2.90 0.02 3.99 0.00 -0.05 -0.91 121.76 124.31 3cf9 s ALA 139 Ca 0.20 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.30 3cf9 s ALA 139 Cb 0.04 -1.24 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 3cf9 s ALA 139 CO 0.02 0.48 -0.11 -0.65 0.00 0.00 0.00 175.76 175.50 3cf9 s GLN 140 N -0.50 0.82 -0.14 0.00 -0.21 0.13 -0.71 119.66 119.04 3cf9 s GLN 140 Ca 0.07 -0.58 0.00 0.00 0.02 0.00 0.00 55.36 54.87 3cf9 s GLN 140 Cb -0.12 -0.78 0.03 0.00 1.00 0.00 0.00 33.01 33.14 3cf9 s GLN 140 CO 0.02 0.20 -0.12 0.08 -2.12 0.00 0.00 175.29 173.35 3cf9 s VAL 141 N -0.66 1.42 -1.36 1.09 1.01 -0.38 -0.17 120.40 121.34 3cf9 s VAL 141 Ca 0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 3cf9 s VAL 141 Cb -0.06 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.95 3cf9 s VAL 141 CO 0.00 0.40 0.62 -0.67 0.00 0.00 0.00 175.10 175.45 3cf9 n ASP 142 N 4.81 -1.13 0.00 3.32 4.64 -1.26 -2.09 116.55 124.85 3cf9 n ASP 142 Ca -0.15 -0.88 0.00 0.00 -1.38 0.00 0.00 54.79 52.37 3cf9 n ASP 142 Cb 0.50 -3.68 0.00 0.00 -1.04 0.00 0.00 41.12 36.90 3cf9 n ASP 142 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3cf9 n GLY 143 N -1.72 2.48 3.78 0.27 0.00 -1.26 -5.00 105.19 103.73 3cf9 n GLY 143 Ca -0.28 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 3cf9 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf9 s LYS 144 N -0.01 3.49 -0.23 1.61 1.02 -0.89 -5.07 119.74 119.66 3cf9 s LYS 144 Ca 0.00 -0.24 -0.29 0.00 0.02 0.00 0.00 55.97 55.46 3cf9 s LYS 144 Cb 0.00 -3.12 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 3cf9 s LYS 144 CO 0.00 0.63 1.40 0.08 -0.92 0.00 0.00 175.35 176.54 3cf9 s VAL 145 N -0.64 4.02 -0.25 3.17 1.01 -1.26 -1.25 120.40 125.20 3cf9 s VAL 145 Ca 0.12 1.17 0.22 0.00 0.00 0.00 0.00 61.98 63.49 3cf9 s VAL 145 Cb -0.12 -3.96 -0.31 0.00 0.00 0.00 0.00 36.38 31.99 3cf9 s VAL 145 CO 0.02 -0.32 0.57 1.33 0.00 0.00 0.00 175.10 176.70 3cf9 n VAL 146 N 6.03 0.00 -3.55 2.92 0.24 0.11 -4.58 118.33 119.49 3cf9 n VAL 146 Ca 0.16 -0.39 -0.16 0.00 -2.04 0.00 0.00 64.34 61.91 3cf9 n VAL 146 Cb 0.46 0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 32.99 3cf9 n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cf9 s ALA 147 N -3.40 -1.80 0.13 2.33 0.00 -1.10 -0.38 121.76 117.53 3cf9 s ALA 147 Ca -0.04 1.53 0.10 0.00 0.00 0.00 0.00 51.96 53.54 3cf9 s ALA 147 Cb 0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3cf9 s ALA 147 CO 0.90 -0.35 -0.24 -1.21 0.00 0.00 0.00 175.76 174.86 3cf9 s GLU 148 N -0.77 1.28 -0.06 0.00 2.02 0.10 -0.88 118.70 120.40 3cf9 s GLU 148 Ca -0.07 -1.29 -0.31 0.00 0.02 0.00 0.00 54.97 53.32 3cf9 s GLU 148 Cb -0.01 -1.64 0.07 0.00 0.10 0.00 0.00 34.13 32.65 3cf9 s GLU 148 CO 0.07 0.38 0.70 0.00 0.02 0.00 0.00 175.26 176.42 3cf9 s ALA 149 N -1.23 -1.78 0.04 5.21 0.00 -0.85 -2.14 121.76 121.01 3cf9 s ALA 149 Ca 0.11 1.34 0.09 0.00 0.00 0.00 0.00 51.96 53.50 3cf9 s ALA 149 Cb -0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 3cf9 s ALA 149 CO 0.06 -0.37 -0.26 -1.21 0.00 0.00 0.00 175.76 173.98 3cf9 s GLU 150 N -1.18 1.76 0.07 0.00 2.02 0.17 -1.74 118.70 119.79 3cf9 s GLU 150 Ca -0.10 -1.07 -0.16 0.00 0.02 0.00 0.00 54.97 53.65 3cf9 s GLU 150 Cb -0.00 -1.91 0.03 0.00 0.10 0.00 0.00 34.13 32.35 3cf9 s GLU 150 CO 0.10 0.50 0.38 -0.48 0.02 0.00 0.00 175.26 175.77 3cf9 s LEU 151 N -1.19 0.52 -0.08 1.80 0.05 0.43 -0.97 118.68 119.25 3cf9 s LEU 151 Ca 0.11 -0.16 0.02 0.00 0.05 0.00 0.00 54.13 54.15 3cf9 s LEU 151 Cb -0.10 1.68 0.01 0.00 -2.05 0.00 0.00 46.19 45.73 3cf9 s LEU 151 CO 0.02 -0.72 -0.13 -0.75 -0.55 0.00 0.00 176.35 174.22 3cf9 s LYS 152 N -2.96 1.86 0.23 1.48 2.20 -0.72 -0.06 119.74 121.77 3cf9 s LYS 152 Ca -0.02 -0.46 0.07 0.00 -0.36 0.00 0.00 55.97 55.21 3cf9 s LYS 152 Cb 0.00 -1.54 -0.05 0.00 -1.51 0.00 0.00 37.83 34.73 3cf9 s LYS 152 CO -0.06 0.01 -0.12 0.00 -0.36 0.00 0.00 175.35 174.82 3cf9 s ALA 153 N 0.74 2.13 -0.04 3.13 0.00 0.21 -0.56 121.76 127.37 3cf9 s ALA 153 Ca -0.13 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.12 3cf9 s ALA 153 Cb -0.16 0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3cf9 s ALA 153 CO 0.03 0.02 -0.11 1.41 0.00 0.00 0.00 175.76 177.12 3cf9 s MET 154 N -3.67 1.20 -0.11 0.00 1.75 0.70 -1.18 119.30 118.00 3cf9 s MET 154 Ca 0.25 -0.36 -0.19 0.00 -1.25 0.00 0.00 55.69 54.14 3cf9 s MET 154 Cb 0.01 -1.08 -0.04 0.00 2.84 0.00 0.00 34.83 36.56 3cf9 s MET 154 CO 0.09 0.11 0.50 0.42 -0.65 0.00 0.00 175.02 175.49 3cf9 s ILE 155 N 0.27 5.17 0.07 10.11 1.01 -1.03 -0.62 121.20 136.18 3cf9 s ILE 155 Ca -0.05 1.01 0.03 0.00 0.00 0.00 0.00 60.65 61.64 3cf9 s ILE 155 Cb -0.10 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 3cf9 s ILE 155 CO 0.01 0.32 -0.10 0.00 0.00 0.00 0.00 174.94 175.18 3cf9 s ALA 156 N 0.60 0.91 -2.00 9.38 0.00 -0.70 -4.85 121.76 125.10 3cf9 s ALA 156 Ca 0.27 -1.00 0.08 0.00 0.00 0.00 0.00 51.96 51.32 3cf9 s ALA 156 Cb -0.15 0.02 0.48 0.00 0.00 0.00 0.00 23.12 23.46 3cf9 s ALA 156 CO 0.11 0.00 0.94 0.39 0.00 0.00 0.00 175.76 177.20