#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf9 s GLN 11 N 0.00 3.73 -0.11 4.33 -0.21 -1.26 -3.66 119.66 122.48 3cf9 s GLN 11 Ca 0.00 -0.45 0.03 0.00 0.02 0.00 0.00 55.36 54.96 3cf9 s GLN 11 Cb 0.00 -3.29 -0.00 0.00 1.00 0.00 0.00 33.01 30.72 3cf9 s GLN 11 CO 0.00 -0.07 -0.22 -0.06 -2.12 0.00 0.00 175.29 172.82 3cf9 s PHE 12 N 1.30 2.61 0.41 0.91 0.40 -0.71 -5.00 117.98 117.90 3cf9 s PHE 12 Ca 0.05 -0.96 0.05 0.00 -0.60 0.00 0.00 56.93 55.46 3cf9 s PHE 12 Cb -0.15 -1.73 0.07 0.00 0.51 0.00 0.00 43.02 41.72 3cf9 s PHE 12 CO 0.03 -0.38 0.56 1.19 0.70 0.00 0.00 175.22 177.33 3cf9 n PHE 13 N 3.51 -2.67 -0.21 0.36 3.01 -1.26 -0.55 117.46 119.65 3cf9 n PHE 13 Ca -0.19 -1.34 -0.04 0.00 1.01 0.00 0.00 57.45 56.89 3cf9 n PHE 13 Cb 0.53 -0.39 0.14 0.00 -0.01 0.00 0.00 39.48 39.75 3cf9 n PHE 13 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 3cf9 h ILE 14 N -0.08 1.24 -0.82 4.37 6.09 -1.94 -1.28 117.51 125.08 3cf9 h ILE 14 Ca -0.19 -0.77 0.12 0.00 -1.37 0.00 0.00 64.86 62.65 3cf9 h ILE 14 Cb 0.82 0.46 -0.08 0.00 0.47 0.00 0.00 36.82 38.48 3cf9 h ILE 14 CO 0.25 0.31 0.44 -0.33 -3.07 0.00 0.00 178.15 175.74 3cf9 h GLU 15 N 0.98 0.66 -0.24 2.19 3.07 -1.95 -0.91 114.58 118.38 3cf9 h GLU 15 Ca 0.23 -0.04 -0.19 0.00 -0.50 0.00 0.00 59.36 58.86 3cf9 h GLU 15 Cb 0.22 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 3cf9 h GLU 15 CO -0.02 0.44 -0.58 0.45 -1.40 0.00 0.00 179.01 177.90 3cf9 h HIS 16 N 0.68 1.05 -0.68 4.33 3.86 -1.70 -3.11 115.15 119.58 3cf9 h HIS 16 Ca 0.42 -0.40 -0.06 0.00 -1.16 0.00 0.00 60.37 59.17 3cf9 h HIS 16 Cb 0.51 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.76 3cf9 h HIS 16 CO -0.08 1.22 0.17 0.82 0.86 0.00 0.00 177.93 180.92 3cf9 h ILE 17 N 0.57 1.26 0.00 2.45 2.04 -0.96 -2.80 117.51 120.07 3cf9 h ILE 17 Ca -0.00 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 64.88 3cf9 h ILE 17 Cb 1.20 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 3cf9 h ILE 17 CO 0.13 0.36 -0.21 -0.07 0.00 0.00 0.00 178.15 178.36 3cf9 h LEU 18 N 1.02 0.00 0.00 1.44 3.38 -1.20 -0.69 115.31 119.26 3cf9 h LEU 18 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3cf9 h LEU 18 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3cf9 h LEU 18 CO -0.00 0.21 -0.10 1.56 0.09 0.00 0.00 178.44 180.20 3cf9 h GLN 19 N 0.00 0.00 0.00 1.13 4.20 -1.43 -3.38 115.11 115.64 3cf9 h GLN 19 Ca -0.00 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.36 3cf9 h GLN 19 Cb 0.38 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.10 3cf9 h GLN 19 CO 0.03 0.00 -2.24 -0.89 -0.67 0.00 0.00 178.83 175.05 3cf9 n ILE 20 N -2.51 1.24 -3.30 2.54 2.08 -0.97 -4.50 119.36 113.94 3cf9 n ILE 20 Ca 0.05 -0.40 -0.38 0.00 0.56 0.00 0.00 62.75 62.57 3cf9 n ILE 20 Cb 0.46 -1.51 -0.06 0.00 -0.75 0.00 0.00 39.64 37.79 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 -6.69 4.45 0.23 1.39 1.43 -0.30 -4.83 118.68 114.36 3cf9 s LEU 21 Ca -0.30 1.12 0.26 0.00 -1.03 0.00 0.00 54.13 54.18 3cf9 s LEU 21 Cb 0.10 -2.83 0.85 0.00 0.03 0.00 0.00 46.19 44.34 3cf9 s LEU 21 CO 0.45 0.19 1.76 -0.81 0.23 0.00 0.00 176.35 178.17 3cf9 n PRO 22 N 2.31 0.25 -1.74 1.29 -0.04 -1.26 -4.68 135.00 131.13 3cf9 n PRO 22 Ca -0.09 0.27 -0.40 0.00 -0.04 0.00 0.00 63.50 63.24 3cf9 n PRO 22 Cb 0.51 -1.83 0.01 0.00 -0.04 0.00 0.00 33.50 32.15 3cf9 n PRO 22 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3cf9 n HIS 23 N -2.28 2.55 -4.22 0.54 8.25 -1.26 -5.03 115.22 113.78 3cf9 n HIS 23 Ca 0.05 0.46 -0.16 0.00 -0.26 0.00 0.00 57.72 57.81 3cf9 n HIS 23 Cb 0.38 -2.44 -0.08 0.00 1.12 0.00 0.00 29.99 28.97 3cf9 n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3cf9 s ARG 24 N -2.32 1.57 0.31 -0.41 1.81 -1.26 -4.70 118.95 113.94 3cf9 s ARG 24 Ca 0.60 -1.82 -0.29 0.00 -1.72 0.00 0.00 55.73 52.50 3cf9 s ARG 24 Cb -0.47 0.33 -0.12 0.00 -0.45 0.00 0.00 34.95 34.23 3cf9 s ARG 24 CO 0.58 -0.57 1.40 0.98 -0.68 0.00 0.00 175.30 177.01 3cf9 n TYR 25 N -0.48 2.45 -0.84 -0.53 4.19 -1.26 0.83 117.16 121.51 3cf9 n TYR 25 Ca 0.04 0.45 -0.21 0.00 3.31 0.00 0.00 57.90 61.50 3cf9 n TYR 25 Cb 0.63 -2.48 0.09 0.00 0.49 0.00 0.00 39.34 38.08 3cf9 n TYR 25 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3cf9 n PRO 26 N 1.25 2.04 -0.05 2.98 -0.04 -1.26 -4.92 135.00 135.00 3cf9 n PRO 26 Ca 0.07 -2.21 0.02 0.00 -0.04 0.00 0.00 63.50 61.34 3cf9 n PRO 26 Cb 0.35 -1.87 0.03 0.00 -0.04 0.00 0.00 33.50 31.98 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 -0.40 1.93 -3.27 0.54 2.81 0.24 -4.94 117.12 114.03 3cf9 n MET 27 Ca 0.43 -1.55 -0.43 0.00 -1.81 0.00 0.00 57.70 54.33 3cf9 n MET 27 Cb 0.94 -1.00 -0.08 0.00 -0.71 0.00 0.00 33.22 32.37 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 -1.20 5.01 -0.22 4.03 2.96 -0.90 -4.61 118.68 123.74 3cf9 s LEU 28 Ca 0.07 -0.84 0.11 0.00 -0.22 0.00 0.00 54.13 53.25 3cf9 s LEU 28 Cb 0.06 -2.39 0.43 0.00 0.50 0.00 0.00 46.19 44.79 3cf9 s LEU 28 CO 0.01 -0.71 1.21 0.18 -1.32 0.00 0.00 176.35 175.72 3cf9 n LEU 29 N 5.76 3.12 -3.77 -0.68 4.77 -1.26 -4.90 117.00 120.05 3cf9 n LEU 29 Ca -0.08 -4.02 -0.22 0.00 -0.03 0.00 0.00 56.01 51.66 3cf9 n LEU 29 Cb 0.46 -0.46 -0.18 0.00 -2.33 0.00 0.00 43.42 40.92 3cf9 n LEU 29 CO 0.49 1.53 -0.38 -0.69 -1.33 0.00 0.00 177.39 177.01 3cf9 s VAL 30 N -3.43 0.33 -0.11 4.08 1.01 -1.26 -4.57 120.40 116.45 3cf9 s VAL 30 Ca 0.41 0.14 0.14 0.00 0.00 0.00 0.00 61.98 62.67 3cf9 s VAL 30 Cb 0.38 -0.49 -0.24 0.00 0.00 0.00 0.00 36.38 36.03 3cf9 s VAL 30 CO -0.05 0.25 0.40 0.47 0.00 0.00 0.00 175.10 176.17 3cf9 n ASP 31 N 5.09 0.61 -3.61 3.32 8.00 0.47 -4.97 116.55 125.46 3cf9 n ASP 31 Ca -0.08 0.24 -0.14 0.00 0.71 0.00 0.00 54.79 55.51 3cf9 n ASP 31 Cb 0.50 0.31 -0.07 0.00 -0.02 0.00 0.00 41.12 41.84 3cf9 n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3cf9 s ARG 32 N -2.55 0.84 -0.22 -1.24 3.52 -1.03 -3.54 118.95 114.72 3cf9 s ARG 32 Ca -0.08 0.77 -0.07 0.00 -0.13 0.00 0.00 55.73 56.22 3cf9 s ARG 32 Cb 0.07 0.41 -0.04 0.00 -1.56 0.00 0.00 34.95 33.83 3cf9 s ARG 32 CO 0.82 -0.15 0.07 0.42 -0.81 0.00 0.00 175.30 175.65 3cf9 s ILE 33 N -0.01 4.57 -0.09 4.11 -1.09 0.28 -0.80 121.20 128.16 3cf9 s ILE 33 Ca -0.02 -0.10 0.15 0.00 -2.23 0.00 0.00 60.65 58.45 3cf9 s ILE 33 Cb -0.04 -3.10 -0.22 0.00 -1.58 0.00 0.00 42.46 37.52 3cf9 s ILE 33 CO 0.02 0.39 0.20 0.35 -1.23 0.00 0.00 174.94 174.67 3cf9 n THR 34 N 4.28 0.57 -3.79 2.92 -2.24 0.12 -1.74 114.28 114.41 3cf9 n THR 34 Ca -0.16 -0.53 -0.14 0.00 -2.27 0.00 0.00 64.05 60.95 3cf9 n THR 34 Cb 0.52 -0.26 -0.15 0.00 -2.10 0.00 0.00 70.33 68.34 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 -2.75 0.02 -0.08 -0.78 2.02 -0.60 -4.58 118.70 111.95 3cf9 s GLU 35 Ca -0.07 0.21 -0.03 0.00 0.02 0.00 0.00 54.97 55.09 3cf9 s GLU 35 Cb 0.07 -0.16 0.05 0.00 0.10 0.00 0.00 34.13 34.19 3cf9 s GLU 35 CO 0.66 -0.13 0.16 -1.17 0.02 0.00 0.00 175.26 174.81 3cf9 s LEU 36 N 0.83 0.17 -0.30 1.80 2.96 -1.24 -0.08 118.68 122.83 3cf9 s LEU 36 Ca -0.07 0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.19 3cf9 s LEU 36 Cb -0.09 0.34 0.09 0.00 0.50 0.00 0.00 46.19 47.02 3cf9 s LEU 36 CO -0.03 -0.21 0.05 -1.58 -1.32 0.00 0.00 176.35 173.26 3cf9 s GLN 37 N 1.92 1.05 -0.18 1.98 0.74 0.24 -4.56 119.66 120.85 3cf9 s GLN 37 Ca -0.01 -1.20 -0.42 0.00 0.05 0.00 0.00 55.36 53.78 3cf9 s GLN 37 Cb -0.12 -2.39 -0.19 0.00 1.10 0.00 0.00 33.01 31.41 3cf9 s GLN 37 CO -0.06 -0.88 1.39 0.00 -0.55 0.00 0.00 175.29 175.19 3cf9 n ALA 38 N 4.69 -1.92 -0.82 1.58 0.00 -1.26 -0.90 120.51 121.88 3cf9 n ALA 38 Ca -0.03 0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3cf9 n ALA 38 Cb 0.43 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 3.07 -0.10 0.05 0.00 4.13 -1.26 -4.76 115.26 116.39 3cf9 n ASN 39 Ca 0.24 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.50 3cf9 n ASN 39 Cb 0.07 -0.93 0.00 0.00 -1.54 0.00 0.00 39.78 37.37 3cf9 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cf9 n GLN 40 N -1.99 0.00 -3.48 3.52 6.02 -0.07 -4.62 117.38 116.75 3cf9 n GLN 40 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 3cf9 n GLN 40 Cb 0.00 -0.40 -0.04 0.00 1.02 0.00 0.00 30.24 30.83 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 -1.88 1.16 -0.03 -1.09 -2.85 -0.82 -0.21 119.74 114.02 3cf9 s LYS 41 Ca 0.00 -0.13 0.02 0.00 -1.00 0.00 0.00 55.97 54.86 3cf9 s LYS 41 Cb 0.00 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.32 3cf9 s LYS 41 CO 0.00 -0.44 -0.09 -1.50 0.10 0.00 0.00 175.35 173.42 3cf9 s ILE 42 N -2.51 0.81 -0.17 3.79 2.07 0.67 -0.59 121.20 125.27 3cf9 s ILE 42 Ca -0.05 -0.35 -0.01 0.00 -1.41 0.00 0.00 60.65 58.83 3cf9 s ILE 42 Cb -0.01 -0.74 -0.01 0.00 0.13 0.00 0.00 42.46 41.84 3cf9 s ILE 42 CO -0.02 0.26 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.47 3cf9 s VAL 43 N 0.37 2.96 0.23 4.00 1.01 0.88 -1.72 120.40 128.13 3cf9 s VAL 43 Ca -0.06 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 3cf9 s VAL 43 Cb -0.11 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3cf9 s VAL 43 CO 0.01 0.49 0.27 0.00 0.00 0.00 0.00 175.10 175.87 3cf9 s ALA 44 N 0.97 0.69 0.14 5.51 0.00 -0.69 -0.70 121.76 127.68 3cf9 s ALA 44 Ca -0.02 -1.42 -0.15 0.00 0.00 0.00 0.00 51.96 50.38 3cf9 s ALA 44 Cb -0.15 1.27 0.02 0.00 0.00 0.00 0.00 23.12 24.27 3cf9 s ALA 44 CO -0.01 -0.69 0.39 1.52 0.00 0.00 0.00 175.76 176.96 3cf9 s TYR 45 N -4.04 -0.07 -0.08 0.00 1.13 0.02 0.43 117.35 114.75 3cf9 s TYR 45 Ca 0.33 -0.28 0.01 0.00 -1.41 0.00 0.00 57.07 55.73 3cf9 s TYR 45 Cb 0.04 0.21 0.02 0.00 -1.10 0.00 0.00 41.96 41.12 3cf9 s TYR 45 CO 0.12 -0.73 -0.11 0.21 -2.51 0.00 0.00 175.55 172.53 3cf9 s LYS 46 N -3.85 1.63 0.18 -3.49 2.20 0.12 -0.39 119.74 116.15 3cf9 s LYS 46 Ca 0.06 -0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.01 3cf9 s LYS 46 Cb 0.02 -1.44 -0.08 0.00 -1.51 0.00 0.00 37.83 34.81 3cf9 s LYS 46 CO -0.08 -0.06 1.24 -0.80 -0.36 0.00 0.00 175.35 175.28 3cf9 s ASN 47 N 0.96 7.02 -0.23 1.43 0.01 -1.26 -0.69 114.94 122.17 3cf9 s ASN 47 Ca -0.09 2.28 -0.08 0.00 -0.71 0.00 0.00 52.86 54.26 3cf9 s ASN 47 Cb -0.15 -2.61 -0.04 0.00 0.41 0.00 0.00 41.25 38.87 3cf9 s ASN 47 CO 0.00 -0.43 0.10 -0.63 -1.51 0.00 0.00 177.10 174.63 3cf9 s ILE 48 N 0.06 4.79 0.06 0.60 -1.09 -0.09 -4.94 121.20 120.59 3cf9 s ILE 48 Ca 0.54 -0.02 0.03 0.00 -2.23 0.00 0.00 60.65 58.98 3cf9 s ILE 48 Cb -0.34 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.30 3cf9 s ILE 48 CO 0.37 0.37 -0.09 0.28 -1.23 0.00 0.00 174.94 174.63 3cf9 s THR 49 N 1.11 0.73 0.42 2.92 -1.32 -1.26 -0.02 115.64 118.22 3cf9 s THR 49 Ca 0.05 -1.32 0.10 0.00 -1.21 0.00 0.00 61.69 59.31 3cf9 s THR 49 Cb -0.14 -0.95 0.22 0.00 -1.51 0.00 0.00 72.50 70.12 3cf9 s THR 49 CO 0.04 -0.44 2.02 0.15 -2.21 0.00 0.00 174.62 174.18 3cf9 h PHE 50 N 4.11 0.30 0.00 9.09 3.57 -1.96 -3.22 116.94 128.84 3cf9 h PHE 50 Ca -0.37 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.12 3cf9 h PHE 50 Cb 1.19 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.84 3cf9 h PHE 50 CO 0.64 0.27 0.00 -1.71 -2.23 0.00 0.00 178.31 175.28 3cf9 n ASN 51 N -4.41 3.12 -4.46 0.41 4.05 -1.26 -4.72 115.26 107.99 3cf9 n ASN 51 Ca 0.00 -1.81 -0.31 0.00 0.45 0.00 0.00 54.58 52.90 3cf9 n ASN 51 Cb 0.15 -0.66 -0.13 0.00 1.23 0.00 0.00 39.78 40.37 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 0.80 2.24 0.20 1.20 2.02 -1.22 -5.05 118.70 118.89 3cf9 s GLU 52 Ca 0.00 -0.87 -0.10 0.00 0.02 0.00 0.00 54.97 54.02 3cf9 s GLU 52 Cb 0.00 -2.25 0.13 0.00 0.10 0.00 0.00 34.13 32.11 3cf9 s GLU 52 CO 0.00 0.57 1.80 0.22 0.02 0.00 0.00 175.26 177.87 3cf9 h ASP 53 N 4.88 0.95 -1.24 -0.19 3.58 -1.94 -2.88 116.42 119.59 3cf9 h ASP 53 Ca -0.47 -0.13 0.40 0.00 0.42 0.00 0.00 57.03 57.25 3cf9 h ASP 53 Cb 1.15 -0.24 -0.12 0.00 1.72 0.00 0.00 39.33 41.83 3cf9 h ASP 53 CO 0.49 0.81 0.79 -0.37 -2.88 0.00 0.00 179.24 178.08 3cf9 h VAL 54 N 1.02 0.20 0.00 2.25 -1.51 -1.96 0.56 116.25 116.81 3cf9 h VAL 54 Ca 0.25 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.67 3cf9 h VAL 54 Cb 0.10 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.30 3cf9 h VAL 54 CO -0.03 0.03 0.00 0.49 -1.23 0.00 0.00 177.57 176.82 3cf9 n PHE 55 N -4.71 0.80 -0.03 5.19 0.99 -1.08 -2.11 117.46 116.50 3cf9 n PHE 55 Ca 0.35 0.29 0.08 0.00 -0.00 0.00 0.00 57.45 58.17 3cf9 n PHE 55 Cb 1.30 -0.98 0.46 0.00 -1.00 0.00 0.00 39.48 39.27 3cf9 n PHE 55 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 3cf9 h ASN 56 N 0.00 0.42 0.00 4.37 2.35 -1.05 -3.30 115.58 118.37 3cf9 h ASN 56 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3cf9 h ASN 56 Cb 0.44 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3cf9 h ASN 56 CO 0.00 0.28 0.00 0.61 -1.65 0.00 0.00 177.43 176.67 3cf9 n GLY 57 N -1.50 0.38 2.44 2.83 0.00 -0.91 -4.28 105.19 104.15 3cf9 n GLY 57 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.20 -1.45 -4.44 1.61 -0.00 -0.90 -4.55 115.22 105.29 3cf9 n HIS 58 Ca 0.00 -2.95 -0.23 0.00 -0.00 0.00 0.00 57.72 54.54 3cf9 n HIS 58 Cb 0.13 0.44 -0.10 0.00 -0.00 0.00 0.00 29.99 30.46 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 0.05 2.16 0.21 1.57 0.08 -0.03 -1.97 117.98 120.05 3cf9 s PHE 59 Ca 0.33 -0.38 -0.32 0.00 0.12 0.00 0.00 56.93 56.67 3cf9 s PHE 59 Cb 0.06 -0.96 -0.14 0.00 -0.57 0.00 0.00 43.02 41.41 3cf9 s PHE 59 CO -0.16 0.62 1.47 -2.30 -0.10 0.00 0.00 175.22 174.75 3cf9 n PRO 60 N -0.47 2.07 -0.67 0.24 -0.02 -1.26 -1.49 135.00 133.41 3cf9 n PRO 60 Ca -0.06 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3cf9 n PRO 60 Cb 0.60 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.62 -1.46 -3.19 2.55 3.02 -1.26 -4.85 115.26 112.69 3cf9 n ASN 61 Ca 0.14 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.48 3cf9 n ASN 61 Cb 0.30 -2.49 -0.06 0.00 -0.61 0.00 0.00 39.78 36.92 3cf9 n ASN 61 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 3cf9 n LYS 62 N -1.33 0.37 -2.02 3.52 3.00 -0.55 -5.12 118.16 116.02 3cf9 n LYS 62 Ca 0.00 -2.85 -0.43 0.00 -0.00 0.00 0.00 58.31 55.03 3cf9 n LYS 62 Cb 0.12 -1.55 -0.03 0.00 0.00 0.00 0.00 35.03 33.57 3cf9 n LYS 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3cf9 s PRO 63 N 0.09 3.88 -0.10 1.64 0.04 -1.22 -0.85 135.00 138.48 3cf9 s PRO 63 Ca 0.33 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 63.25 3cf9 s PRO 63 Cb 0.06 -4.05 0.04 0.00 0.04 0.00 0.00 34.50 30.58 3cf9 s PRO 63 CO -0.16 -1.21 0.01 0.42 0.04 0.00 0.00 177.00 176.11 3cf9 s ILE 64 N 5.06 0.38 0.08 0.56 1.01 -0.83 -4.55 121.20 122.92 3cf9 s ILE 64 Ca 0.75 -0.03 -0.31 0.00 0.00 0.00 0.00 60.65 61.07 3cf9 s ILE 64 Cb -0.29 -0.64 -0.10 0.00 0.01 0.00 0.00 42.46 41.45 3cf9 s ILE 64 CO 0.30 0.14 1.86 0.12 0.00 0.00 0.00 174.94 177.36 3cf9 s PHE 65 N 1.96 1.85 0.21 3.97 5.36 0.91 -4.56 117.98 127.67 3cf9 s PHE 65 Ca 0.04 -0.15 -0.32 0.00 -0.96 0.00 0.00 56.93 55.53 3cf9 s PHE 65 Cb -0.13 -4.18 -0.13 0.00 -0.34 0.00 0.00 43.02 38.23 3cf9 s PHE 65 CO -0.06 -5.04 1.58 -2.30 -1.46 0.00 0.00 175.22 167.95 3cf9 n PRO 66 N 6.38 2.36 -0.28 10.12 -0.02 -1.26 -4.51 135.00 147.78 3cf9 n PRO 66 Ca 0.18 0.85 0.06 0.00 -2.02 0.00 0.00 63.50 62.57 3cf9 n PRO 66 Cb 0.39 -2.62 0.21 0.00 -0.02 0.00 0.00 33.50 31.47 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 5.64 1.30 2.00 -1.23 0.00 -1.98 -1.58 103.07 107.21 3cf9 h GLY 67 Ca -0.45 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 46.64 3cf9 h GLY 67 CO 0.87 -0.05 -0.08 -0.39 0.00 0.00 0.00 176.54 176.89 3cf9 h VAL 68 N 0.57 0.93 0.00 4.60 -1.51 -1.99 -1.96 116.25 116.88 3cf9 h VAL 68 Ca 0.44 -0.29 -0.12 0.00 -1.23 0.00 0.00 66.70 65.50 3cf9 h VAL 68 Cb 0.63 1.16 -0.02 0.00 -2.13 0.00 0.00 31.29 30.93 3cf9 h VAL 68 CO -0.37 0.08 -0.58 -0.07 -1.23 0.00 0.00 177.57 175.40 3cf9 h LEU 69 N 0.00 0.00 0.16 4.19 3.38 -1.67 -1.09 115.31 120.28 3cf9 h LEU 69 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3cf9 h LEU 69 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3cf9 h LEU 69 CO 0.01 0.56 -0.08 0.40 0.09 0.00 0.00 178.44 179.42 3cf9 h ILE 70 N 0.00 0.88 -0.87 1.22 2.04 -1.09 -0.70 117.51 118.99 3cf9 h ILE 70 Ca -0.01 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.74 3cf9 h ILE 70 Cb 1.43 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 3cf9 h ILE 70 CO 0.07 0.04 0.57 0.58 0.00 0.00 0.00 178.15 179.41 3cf9 h VAL 71 N -0.30 1.08 -0.32 1.67 2.07 -1.34 -0.36 116.25 118.76 3cf9 h VAL 71 Ca -0.02 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 3cf9 h VAL 71 Cb 0.23 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 3cf9 h VAL 71 CO 0.04 0.18 0.07 -0.08 0.02 0.00 0.00 177.57 177.80 3cf9 h GLU 72 N 1.00 0.51 -0.48 1.57 4.57 -1.11 -0.92 114.58 119.73 3cf9 h GLU 72 Ca 0.37 -0.13 -0.03 0.00 -1.18 0.00 0.00 59.36 58.39 3cf9 h GLU 72 Cb 0.16 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 3cf9 h GLU 72 CO -0.13 0.58 0.19 0.78 -1.18 0.00 0.00 179.01 179.26 3cf9 h GLY 73 N 0.35 0.74 1.05 1.92 0.00 -0.59 0.55 103.07 107.08 3cf9 h GLY 73 Ca 0.10 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 3cf9 h GLY 73 CO 0.00 0.34 0.19 -0.33 0.00 0.00 0.00 176.54 176.74 3cf9 h MET 74 N 0.68 1.11 -0.58 4.80 2.86 -0.98 -2.16 114.93 120.65 3cf9 h MET 74 Ca 0.17 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3cf9 h MET 74 Cb 0.14 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.62 3cf9 h MET 74 CO -0.02 0.97 0.28 0.00 1.06 0.00 0.00 176.91 179.21 3cf9 h ALA 75 N 1.09 0.75 -0.34 6.32 0.00 -0.16 -1.67 119.26 125.26 3cf9 h ALA 75 Ca 0.22 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3cf9 h ALA 75 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3cf9 h ALA 75 CO -0.00 0.31 -0.02 1.96 0.00 0.00 0.00 179.25 181.50 3cf9 h GLN 76 N 0.79 0.54 -0.22 0.00 4.20 -0.82 -0.40 115.11 119.19 3cf9 h GLN 76 Ca 0.20 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.72 3cf9 h GLN 76 Cb 0.11 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 3cf9 h GLN 76 CO -0.03 0.58 -0.14 0.77 -0.67 0.00 0.00 178.83 179.34 3cf9 h SER 77 N 0.51 0.51 -0.72 1.46 0.02 -1.25 -1.95 113.55 112.12 3cf9 h SER 77 Ca 0.11 -0.43 0.05 0.00 -0.84 0.00 0.00 61.79 60.67 3cf9 h SER 77 Cb 0.37 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.71 3cf9 h SER 77 CO 0.01 0.83 0.43 1.23 -1.14 0.00 0.00 176.83 178.20 3cf9 h GLY 78 N 0.18 1.06 1.22 -3.77 0.00 -1.01 -1.45 103.07 99.31 3cf9 h GLY 78 Ca 0.04 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 3cf9 h GLY 78 CO 0.04 0.23 -0.00 -1.33 0.00 0.00 0.00 176.54 175.47 3cf9 h GLY 79 N 0.81 1.02 1.03 4.60 0.00 -1.08 0.04 103.07 109.50 3cf9 h GLY 79 Ca 0.31 -0.72 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 3cf9 h GLY 79 CO -0.15 0.66 0.06 -2.75 0.00 0.00 0.00 176.54 174.36 3cf9 h PHE 80 N 0.87 1.03 0.13 5.60 3.57 -1.13 -0.97 116.94 126.03 3cf9 h PHE 80 Ca 0.16 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3cf9 h PHE 80 Cb 0.52 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.98 3cf9 h PHE 80 CO 0.03 0.91 -0.06 1.25 -2.23 0.00 0.00 178.31 178.21 3cf9 h LEU 81 N 0.85 -0.14 -0.24 0.59 5.85 -1.11 -1.20 115.31 119.91 3cf9 h LEU 81 Ca 0.17 -0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3cf9 h LEU 81 Cb 0.46 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3cf9 h LEU 81 CO 0.02 -0.02 -0.01 0.00 -0.34 0.00 0.00 178.44 178.08 3cf9 h ALA 82 N 0.61 0.21 0.22 1.25 0.00 -0.93 -0.44 119.26 120.18 3cf9 h ALA 82 Ca -0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3cf9 h ALA 82 Cb 0.20 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3cf9 h ALA 82 CO 0.03 -0.43 -0.11 0.35 0.00 0.00 0.00 179.25 179.09 3cf9 h PHE 83 N 0.06 -0.28 0.00 0.00 3.57 -1.14 -2.49 116.94 116.66 3cf9 h PHE 83 Ca 0.12 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3cf9 h PHE 83 Cb 0.15 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 3cf9 h PHE 83 CO -0.20 -0.15 -0.23 1.79 -2.23 0.00 0.00 178.31 177.29 3cf9 h THR 84 N -0.33 0.69 -0.63 4.41 1.35 -1.10 -0.69 112.91 116.61 3cf9 h THR 84 Ca -0.03 -0.97 -0.07 0.00 -0.55 0.00 0.00 66.41 64.78 3cf9 h THR 84 Cb 0.25 1.62 -0.03 0.00 -1.73 0.00 0.00 68.15 68.26 3cf9 h THR 84 CO 0.05 0.22 0.12 0.28 -0.25 0.00 0.00 175.52 175.94 3cf9 h SER 85 N 0.00 0.99 0.29 5.36 0.02 -0.92 0.67 113.55 119.97 3cf9 h SER 85 Ca -0.00 -0.25 -0.32 0.00 -0.84 0.00 0.00 61.79 60.37 3cf9 h SER 85 Cb 0.60 -0.26 0.03 0.00 0.14 0.00 0.00 62.40 62.91 3cf9 h SER 85 CO 0.03 0.99 -1.42 -0.07 -1.14 0.00 0.00 176.83 175.23 3cf9 h LEU 86 N 0.95 0.80 -0.31 5.07 4.07 -0.90 -3.42 115.31 121.59 3cf9 h LEU 86 Ca 0.19 -0.84 0.00 0.00 0.08 0.00 0.00 57.88 57.32 3cf9 h LEU 86 Cb 0.41 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.89 3cf9 h LEU 86 CO 0.01 1.65 0.00 0.79 -1.08 0.00 0.00 178.44 179.81 3cf9 n TRP 87 N -3.71 0.00 -4.64 1.13 8.01 -0.34 -5.12 117.44 112.77 3cf9 n TRP 87 Ca -0.15 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 3cf9 n TRP 87 Cb 1.08 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.38 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 0.12 -0.49 3.56 6.99 0.00 0.23 -4.28 105.19 111.31 3cf9 n GLY 88 Ca 0.00 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 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 2.02 -0.44 1.61 5.36 -1.26 -4.41 117.98 120.87 3cf9 s PHE 89 Ca 0.00 0.19 0.02 0.00 -0.96 0.00 0.00 56.93 56.18 3cf9 s PHE 89 Cb 0.00 -4.27 0.14 0.00 -0.34 0.00 0.00 43.02 38.55 3cf9 s PHE 89 CO 0.00 -1.88 0.25 0.34 -1.46 0.00 0.00 175.22 172.47 3cf9 s ASP 90 N 6.93 3.50 0.39 6.13 -1.08 -1.26 -5.00 116.67 126.28 3cf9 s ASP 90 Ca 0.61 -2.64 0.08 0.00 -0.52 0.00 0.00 52.55 50.08 3cf9 s ASP 90 Cb -0.06 -0.95 0.84 0.00 -1.46 0.00 0.00 42.92 41.29 3cf9 s ASP 90 CO -0.00 -0.26 1.97 -0.65 0.52 0.00 0.00 175.17 176.75 3cf9 h PRO 91 N 6.66 0.61 -0.33 4.34 0.11 -1.90 -1.37 132.00 140.11 3cf9 h PRO 91 Ca 0.02 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.05 3cf9 h PRO 91 Cb 0.92 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 3cf9 h PRO 91 CO 0.46 0.41 0.05 1.49 -0.21 0.00 0.00 178.00 180.20 3cf9 h GLU 92 N 0.63 0.56 -0.13 1.05 4.81 -1.94 -2.74 114.58 116.82 3cf9 h GLU 92 Ca 0.29 -0.15 -0.14 0.00 -0.13 0.00 0.00 59.36 59.23 3cf9 h GLU 92 Cb 0.32 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3cf9 h GLU 92 CO -0.09 0.64 -0.52 0.82 -0.73 0.00 0.00 179.01 179.13 3cf9 h ILE 93 N 0.39 1.34 -0.93 2.32 2.04 -1.94 -3.25 117.51 117.49 3cf9 h ILE 93 Ca 0.10 -1.78 0.11 0.00 1.00 0.00 0.00 64.86 64.30 3cf9 h ILE 93 Cb 0.36 1.82 -0.08 0.00 -0.74 0.00 0.00 36.82 38.17 3cf9 h ILE 93 CO 0.01 0.54 0.56 0.00 0.00 0.00 0.00 178.15 179.25 3cf9 h ALA 94 N 1.17 1.37 0.00 1.87 0.00 -0.96 -0.30 119.26 122.42 3cf9 h ALA 94 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3cf9 h ALA 94 Cb 1.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3cf9 h ALA 94 CO 0.09 0.15 0.05 0.87 0.00 0.00 0.00 179.25 180.40 3cf9 h LYS 95 N 0.89 0.00 -0.18 0.00 1.57 -1.54 -2.70 116.57 114.61 3cf9 h LYS 95 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 3cf9 h LYS 95 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3cf9 h LYS 95 CO -0.27 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 178.86 3cf9 n THR 96 N -2.84 0.26 -4.47 -0.16 -2.24 -0.12 -4.85 114.28 99.85 3cf9 n THR 96 Ca -0.02 -0.63 -0.29 0.00 -2.27 0.00 0.00 64.05 60.83 3cf9 n THR 96 Cb 0.10 1.18 -0.13 0.00 -2.10 0.00 0.00 70.33 69.38 3cf9 n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3cf9 s LYS 97 N -1.48 1.55 -0.00 -0.78 -0.14 -1.02 -0.34 119.74 117.53 3cf9 s LYS 97 Ca 0.28 -1.27 0.05 0.00 -1.36 0.00 0.00 55.97 53.67 3cf9 s LYS 97 Cb 0.18 -1.96 -0.01 0.00 -1.68 0.00 0.00 37.83 34.36 3cf9 s LYS 97 CO 0.25 0.47 -0.16 0.96 -0.76 0.00 0.00 175.35 176.12 3cf9 s ILE 98 N -1.03 1.25 -0.46 2.17 -4.36 -0.61 -4.55 121.20 113.61 3cf9 s ILE 98 Ca 0.14 -0.73 -0.08 0.00 -0.26 0.00 0.00 60.65 59.72 3cf9 s ILE 98 Cb -0.10 -1.05 0.12 0.00 1.25 0.00 0.00 42.46 42.67 3cf9 s ILE 98 CO 0.06 0.31 0.32 -0.69 0.24 0.00 0.00 174.94 175.17 3cf9 s VAL 99 N -0.44 4.08 -0.23 8.37 1.01 -1.26 -1.06 120.40 130.88 3cf9 s VAL 99 Ca 0.06 -1.80 -0.21 0.00 0.00 0.00 0.00 61.98 60.03 3cf9 s VAL 99 Cb -0.06 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3cf9 s VAL 99 CO -0.00 -0.74 0.66 -0.47 0.00 0.00 0.00 175.10 174.55 3cf9 s TYR 100 N 1.34 3.33 -0.23 5.22 5.04 0.34 -4.87 117.35 127.51 3cf9 s TYR 100 Ca 0.06 0.92 -0.22 0.00 -2.44 0.00 0.00 57.07 55.39 3cf9 s TYR 100 Cb -0.26 -2.86 -0.02 0.00 0.35 0.00 0.00 41.96 39.18 3cf9 s TYR 100 CO -0.01 -0.27 0.68 -0.06 -1.34 0.00 0.00 175.55 174.55 3cf9 s PHE 101 N 2.30 3.32 -0.23 4.97 0.40 -1.26 0.28 117.98 127.75 3cf9 s PHE 101 Ca 0.29 0.93 -0.09 0.00 -0.60 0.00 0.00 56.93 57.46 3cf9 s PHE 101 Cb -0.16 -2.88 -0.18 0.00 0.51 0.00 0.00 43.02 40.31 3cf9 s PHE 101 CO 0.09 -0.30 -0.06 -1.33 0.70 0.00 0.00 175.22 174.31 3cf9 n MET 102 N 5.60 0.64 -4.13 0.44 2.81 0.52 -4.98 117.12 118.03 3cf9 n MET 102 Ca 0.01 0.29 -0.12 0.00 -1.81 0.00 0.00 57.70 56.06 3cf9 n MET 102 Cb 0.49 -1.59 -0.11 0.00 -0.71 0.00 0.00 33.22 31.30 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 -2.50 0.68 -0.02 2.03 -4.23 -1.13 -5.01 115.64 105.45 3cf9 s THR 103 Ca -0.32 -1.52 0.02 0.00 -1.18 0.00 0.00 61.69 58.68 3cf9 s THR 103 Cb 0.10 -1.17 0.01 0.00 1.34 0.00 0.00 72.50 72.77 3cf9 s THR 103 CO 0.60 -0.61 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.37 3cf9 s ILE 104 N -2.46 0.63 0.05 2.99 1.01 -1.26 -2.04 121.20 120.13 3cf9 s ILE 104 Ca 0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 3cf9 s ILE 104 Cb -0.03 -0.58 0.01 0.00 0.01 0.00 0.00 42.46 41.88 3cf9 s ILE 104 CO -0.02 0.21 0.25 -1.81 0.00 0.00 0.00 174.94 173.57 3cf9 s ASP 105 N 0.27 -0.03 -1.44 3.58 1.11 0.25 -4.96 116.67 115.46 3cf9 s ASP 105 Ca -0.04 -0.34 -0.07 0.00 0.18 0.00 0.00 52.55 52.29 3cf9 s ASP 105 Cb -0.08 0.33 0.04 0.00 1.07 0.00 0.00 42.92 44.29 3cf9 s ASP 105 CO 0.00 -0.62 0.78 0.29 1.18 0.00 0.00 175.17 176.79 3cf9 n LYS 106 N 0.48 -4.82 -3.63 8.23 4.01 -1.26 -0.37 118.16 120.80 3cf9 n LYS 106 Ca -0.18 0.56 -0.36 0.00 -0.51 0.00 0.00 58.31 57.83 3cf9 n LYS 106 Cb 0.60 -5.20 -0.07 0.00 -0.51 0.00 0.00 35.03 29.84 3cf9 n LYS 106 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3cf9 s VAL 107 N -3.55 5.35 -0.03 -0.18 0.11 -1.26 -3.85 120.40 117.00 3cf9 s VAL 107 Ca 0.31 0.39 0.02 0.00 -2.93 0.00 0.00 61.98 59.77 3cf9 s VAL 107 Cb -0.16 -3.56 0.01 0.00 -1.53 0.00 0.00 36.38 31.15 3cf9 s VAL 107 CO 0.84 0.43 -0.06 -0.54 -3.33 0.00 0.00 175.10 172.44 3cf9 s LYS 108 N 0.29 0.78 -0.20 1.54 1.02 -0.91 -4.98 119.74 117.29 3cf9 s LYS 108 Ca 0.13 -0.18 -0.06 0.00 0.02 0.00 0.00 55.97 55.88 3cf9 s LYS 108 Cb -0.12 -0.76 -0.03 0.00 -0.52 0.00 0.00 37.83 36.40 3cf9 s LYS 108 CO 0.02 0.02 0.02 -0.06 -0.92 0.00 0.00 175.35 174.43 3cf9 s PHE 109 N 0.47 3.08 -0.10 3.18 0.40 -1.26 -1.90 117.98 121.85 3cf9 s PHE 109 Ca -0.06 -0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 55.92 3cf9 s PHE 109 Cb -0.10 -2.09 -0.06 0.00 0.51 0.00 0.00 43.02 41.28 3cf9 s PHE 109 CO 0.00 -0.16 -0.10 0.54 0.70 0.00 0.00 175.22 176.20 3cf9 n ARG 110 N 4.14 0.23 -4.51 0.44 1.74 0.64 -5.00 116.66 114.34 3cf9 n ARG 110 Ca -0.17 0.06 -0.23 0.00 -0.77 0.00 0.00 57.85 56.74 3cf9 n ARG 110 Cb 0.52 -1.10 -0.16 0.00 -1.02 0.00 0.00 32.46 30.70 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 -2.19 1.01 0.61 0.55 1.01 -1.17 -5.05 121.20 115.97 3cf9 s ILE 111 Ca -0.13 -0.42 -0.19 0.00 0.00 0.00 0.00 60.65 59.91 3cf9 s ILE 111 Cb 0.04 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 3cf9 s ILE 111 CO 0.21 0.32 1.24 -2.16 0.00 0.00 0.00 174.94 174.55 3cf9 s PRO 112 N 0.63 2.85 -0.16 2.79 0.04 -1.26 -4.79 135.00 135.10 3cf9 s PRO 112 Ca -0.13 1.92 -0.05 0.00 0.04 0.00 0.00 61.00 62.78 3cf9 s PRO 112 Cb -0.15 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 3cf9 s PRO 112 CO 0.03 -1.32 0.02 0.08 0.04 0.00 0.00 177.00 175.84 3cf9 s VAL 113 N -1.52 4.40 0.15 -0.36 1.01 -1.26 -5.04 120.40 117.78 3cf9 s VAL 113 Ca 0.79 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.62 3cf9 s VAL 113 Cb -0.33 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3cf9 s VAL 113 CO 0.36 0.49 -0.06 0.42 0.00 0.00 0.00 175.10 176.30 3cf9 s THR 114 N 0.21 0.94 0.13 3.92 -4.23 -1.26 -0.06 115.64 115.29 3cf9 s THR 114 Ca 0.01 -2.01 -0.34 0.00 -1.18 0.00 0.00 61.69 58.17 3cf9 s THR 114 Cb -0.13 -1.90 -0.17 0.00 1.34 0.00 0.00 72.50 71.65 3cf9 s THR 114 CO 0.01 -0.70 1.12 -2.65 -0.54 0.00 0.00 174.62 171.87 3cf9 n PRO 115 N -0.18 0.86 -0.00 3.99 -0.02 -1.26 -1.96 135.00 136.42 3cf9 n PRO 115 Ca -0.10 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3cf9 n PRO 115 Cb 0.61 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 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 2.01 0.13 3.81 -1.23 0.00 0.97 -4.92 105.19 105.95 3cf9 n GLY 116 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.23 7.08 -0.46 1.61 -0.00 -0.83 -4.92 116.67 116.91 3cf9 s ASP 117 Ca 0.00 1.31 -0.16 0.00 -0.00 0.00 0.00 52.55 53.69 3cf9 s ASP 117 Cb 0.00 -2.38 0.05 0.00 -0.00 0.00 0.00 42.92 40.60 3cf9 s ASP 117 CO 0.00 0.22 0.42 -0.60 -0.00 0.00 0.00 175.17 175.22 3cf9 s ARG 118 N -1.31 3.02 -0.51 8.23 3.52 -1.26 -0.92 118.95 129.72 3cf9 s ARG 118 Ca 0.32 -1.12 -0.20 0.00 -0.13 0.00 0.00 55.73 54.61 3cf9 s ARG 118 Cb -0.19 -4.07 0.06 0.00 -1.56 0.00 0.00 34.95 29.18 3cf9 s ARG 118 CO 0.20 -0.98 0.67 -1.17 -0.81 0.00 0.00 175.30 173.20 3cf9 s LEU 119 N 1.90 4.86 -0.30 -0.88 2.96 0.13 -4.41 118.68 122.94 3cf9 s LEU 119 Ca 0.07 -0.85 -0.13 0.00 -0.22 0.00 0.00 54.13 53.01 3cf9 s LEU 119 Cb -0.21 -2.49 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 3cf9 s LEU 119 CO 0.09 -0.94 0.25 -0.70 -1.32 0.00 0.00 176.35 173.74 3cf9 s GLU 120 N 2.80 3.80 -0.19 1.98 2.12 -0.08 -0.70 118.70 128.43 3cf9 s GLU 120 Ca 0.17 -0.36 -0.22 0.00 0.36 0.00 0.00 54.97 54.92 3cf9 s GLU 120 Cb -0.18 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 30.47 3cf9 s GLU 120 CO 0.13 -0.30 0.67 0.71 -0.54 0.00 0.00 175.26 175.92 3cf9 s TYR 121 N 1.83 3.39 -0.30 5.30 1.51 0.17 -0.15 117.35 129.10 3cf9 s TYR 121 Ca 0.08 1.00 -0.01 0.00 -1.01 0.00 0.00 57.07 57.13 3cf9 s TYR 121 Cb -0.16 -2.84 0.05 0.00 -0.11 0.00 0.00 41.96 38.90 3cf9 s TYR 121 CO 0.11 -0.18 -0.01 -1.01 -1.11 0.00 0.00 175.55 173.35 3cf9 s HIS 122 N 1.91 3.26 -0.03 2.71 3.76 0.13 -1.70 115.29 125.33 3cf9 s HIS 122 Ca 0.31 -1.91 0.03 0.00 -0.15 0.00 0.00 55.06 53.34 3cf9 s HIS 122 Cb -0.16 -2.09 -0.00 0.00 1.11 0.00 0.00 32.58 31.44 3cf9 s HIS 122 CO 0.11 -0.81 -0.12 -0.51 -0.85 0.00 0.00 174.74 172.56 3cf9 s LEU 123 N 1.24 1.86 0.15 0.89 1.43 -0.70 -0.42 118.68 123.13 3cf9 s LEU 123 Ca -0.06 -0.25 0.10 0.00 -1.03 0.00 0.00 54.13 52.89 3cf9 s LEU 123 Cb -0.20 -0.70 -0.04 0.00 0.03 0.00 0.00 46.19 45.28 3cf9 s LEU 123 CO -0.01 0.11 -0.22 -1.83 0.23 0.00 0.00 176.35 174.62 3cf9 s GLU 124 N 0.07 1.32 -0.14 1.70 -1.05 -0.18 -0.24 118.70 120.18 3cf9 s GLU 124 Ca -0.02 -1.36 -0.29 0.00 -0.15 0.00 0.00 54.97 53.14 3cf9 s GLU 124 Cb -0.09 -1.58 -0.02 0.00 -0.44 0.00 0.00 34.13 32.00 3cf9 s GLU 124 CO 0.01 0.35 1.22 0.08 0.95 0.00 0.00 175.26 177.87 3cf9 s VAL 125 N -1.54 4.32 -0.12 1.83 1.01 0.71 -1.58 120.40 125.03 3cf9 s VAL 125 Ca 0.14 1.61 0.08 0.00 0.00 0.00 0.00 61.98 63.81 3cf9 s VAL 125 Cb -0.08 -4.04 -0.23 0.00 0.00 0.00 0.00 36.38 32.02 3cf9 s VAL 125 CO 0.07 -0.10 0.35 0.18 0.00 0.00 0.00 175.10 175.59 3cf9 n LEU 126 N 6.21 1.40 -3.64 3.92 4.77 0.14 -4.94 117.00 124.85 3cf9 n LEU 126 Ca 0.13 0.21 -0.05 0.00 -0.03 0.00 0.00 56.01 56.27 3cf9 n LEU 126 Cb 0.45 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 3cf9 n LEU 126 CO 0.55 0.60 0.36 -0.75 -1.33 0.00 0.00 177.39 176.82 3cf9 s LYS 127 N -2.56 0.64 -0.16 3.23 2.47 -0.54 -4.99 119.74 117.85 3cf9 s LYS 127 Ca -0.14 1.23 -0.01 0.00 -1.56 0.00 0.00 55.97 55.49 3cf9 s LYS 127 Cb 0.07 0.33 0.04 0.00 -1.46 0.00 0.00 37.83 36.81 3cf9 s LYS 127 CO 0.78 -0.16 -0.04 -1.58 0.16 0.00 0.00 175.35 174.51 3cf9 s HIS 128 N 1.95 1.56 -0.28 4.03 5.65 -1.26 0.12 115.29 127.06 3cf9 s HIS 128 Ca -0.09 -0.97 -0.03 0.00 0.25 0.00 0.00 55.06 54.22 3cf9 s HIS 128 Cb -0.07 -1.25 0.10 0.00 -1.18 0.00 0.00 32.58 30.18 3cf9 s HIS 128 CO -0.19 -0.59 0.11 0.15 -0.65 0.00 0.00 174.74 173.58 3cf9 s LYS 129 N 1.68 0.34 7.49 2.88 -0.14 -0.50 -5.04 119.74 126.46 3cf9 s LYS 129 Ca 0.01 -0.65 0.00 0.00 -1.36 0.00 0.00 55.97 53.98 3cf9 s LYS 129 Cb -0.15 -1.47 0.00 0.00 -1.68 0.00 0.00 37.83 34.53 3cf9 s LYS 129 CO -0.08 -0.97 0.00 0.41 -0.76 0.00 0.00 175.35 173.95 3cf9 n GLY 130 N 5.13 2.63 0.00 -3.33 0.00 -1.26 -2.62 105.19 105.74 3cf9 n GLY 130 Ca -0.05 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 13.01 0.00 -3.25 1.61 2.81 -1.26 -4.84 117.12 125.20 3cf9 n MET 131 Ca 0.00 0.00 -0.39 0.00 -1.81 0.00 0.00 57.70 55.50 3cf9 n MET 131 Cb 0.00 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 30.95 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 -3.00 5.13 -0.10 2.02 -1.09 -1.08 -0.42 121.20 122.65 3cf9 s ILE 132 Ca 0.13 0.99 0.02 0.00 -2.23 0.00 0.00 60.65 59.56 3cf9 s ILE 132 Cb 0.18 -3.85 -0.01 0.00 -1.58 0.00 0.00 42.46 37.20 3cf9 s ILE 132 CO 0.60 0.23 -0.18 0.26 -1.23 0.00 0.00 174.94 174.61 3cf9 s TRP 133 N 1.27 2.68 -0.18 3.97 0.52 0.39 -1.41 118.94 126.19 3cf9 s TRP 133 Ca 0.26 -0.74 0.00 0.00 0.02 0.00 0.00 56.10 55.64 3cf9 s TRP 133 Cb -0.15 -1.75 0.01 0.00 -1.15 0.00 0.00 33.47 30.42 3cf9 s TRP 133 CO 0.10 -0.24 -0.16 -1.14 0.02 0.00 0.00 176.95 175.53 3cf9 s GLN 134 N 0.19 3.12 0.06 4.98 0.74 0.32 -0.62 119.66 128.46 3cf9 s GLN 134 Ca -0.11 -0.77 0.05 0.00 0.05 0.00 0.00 55.36 54.58 3cf9 s GLN 134 Cb -0.16 -2.65 -0.03 0.00 1.10 0.00 0.00 33.01 31.27 3cf9 s GLN 134 CO 0.06 -0.13 -0.14 0.08 -0.55 0.00 0.00 175.29 174.60 3cf9 s VAL 135 N 1.16 1.12 0.14 1.34 1.01 -0.24 0.24 120.40 125.18 3cf9 s VAL 135 Ca 0.01 -1.20 -0.14 0.00 0.00 0.00 0.00 61.98 60.66 3cf9 s VAL 135 Cb -0.14 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.20 3cf9 s VAL 135 CO -0.07 -0.14 0.37 -0.83 0.00 0.00 0.00 175.10 174.43 3cf9 s GLY 136 N -1.53 -0.01 0.00 4.51 0.00 -0.62 -0.65 107.32 109.03 3cf9 s GLY 136 Ca -0.01 -0.36 0.00 0.00 0.00 0.00 0.00 44.72 44.35 3cf9 s GLY 136 CO 0.02 -0.50 0.00 0.61 0.00 0.00 0.00 173.10 173.23 3cf9 n GLY 137 N -0.22 -0.48 3.21 0.20 0.00 -0.83 -1.01 105.19 106.06 3cf9 n GLY 137 Ca -0.13 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.05 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 0.79 -0.07 2.61 -4.23 0.44 -2.13 115.64 109.05 3cf9 s THR 138 Ca 0.00 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 58.53 3cf9 s THR 138 Cb 0.00 -1.83 -0.03 0.00 1.34 0.00 0.00 72.50 71.97 3cf9 s THR 138 CO 0.00 -0.74 -0.02 0.00 -0.54 0.00 0.00 174.62 173.32 3cf9 s ALA 139 N -3.57 3.21 0.01 3.99 0.00 0.71 0.20 121.76 126.30 3cf9 s ALA 139 Ca 0.16 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.30 3cf9 s ALA 139 Cb 0.05 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 3cf9 s ALA 139 CO -0.01 0.59 -0.08 -0.65 0.00 0.00 0.00 175.76 175.61 3cf9 s GLN 140 N -0.95 0.57 -0.18 0.00 -0.21 0.79 -0.85 119.66 118.83 3cf9 s GLN 140 Ca 0.14 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.14 3cf9 s GLN 140 Cb -0.11 -0.51 0.04 0.00 1.00 0.00 0.00 33.01 33.42 3cf9 s GLN 140 CO 0.03 0.13 -0.08 0.08 -2.12 0.00 0.00 175.29 173.33 3cf9 s VAL 141 N -0.45 1.38 -1.27 1.09 1.01 -0.43 -0.90 120.40 120.84 3cf9 s VAL 141 Ca 0.00 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.14 3cf9 s VAL 141 Cb -0.04 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.86 3cf9 s VAL 141 CO 0.00 0.19 1.10 -0.67 0.00 0.00 0.00 175.10 175.72 3cf9 n ASP 142 N 4.78 -5.38 0.00 3.32 2.03 -1.26 -2.33 116.55 117.71 3cf9 n ASP 142 Ca -0.14 -0.53 0.00 0.00 0.52 0.00 0.00 54.79 54.64 3cf9 n ASP 142 Cb 0.48 -4.84 0.00 0.00 -0.72 0.00 0.00 41.12 36.04 3cf9 n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3cf9 n GLY 143 N -1.79 1.70 3.79 0.27 0.00 -1.26 -5.02 105.19 102.89 3cf9 n GLY 143 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.03 3.77 -0.16 1.61 1.02 -0.98 -5.07 119.74 119.90 3cf9 s LYS 144 Ca 0.00 -0.19 -0.29 0.00 0.02 0.00 0.00 55.97 55.51 3cf9 s LYS 144 Cb 0.00 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 34.01 3cf9 s LYS 144 CO 0.00 0.54 1.48 0.08 -0.92 0.00 0.00 175.35 176.53 3cf9 s VAL 145 N -0.35 3.91 -0.12 3.17 1.01 -1.26 -1.32 120.40 125.44 3cf9 s VAL 145 Ca 0.11 1.07 0.15 0.00 0.00 0.00 0.00 61.98 63.31 3cf9 s VAL 145 Cb -0.12 -3.78 -0.22 0.00 0.00 0.00 0.00 36.38 32.26 3cf9 s VAL 145 CO 0.01 -0.19 0.15 1.33 0.00 0.00 0.00 175.10 176.40 3cf9 n VAL 146 N 5.77 0.77 -3.68 2.92 0.24 -0.03 -4.52 118.33 119.79 3cf9 n VAL 146 Ca 0.16 -0.59 -0.13 0.00 -2.04 0.00 0.00 64.34 61.74 3cf9 n VAL 146 Cb 0.45 -0.37 -0.07 0.00 -1.47 0.00 0.00 33.84 32.38 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 -2.64 -0.99 0.07 2.33 0.00 -1.12 -0.26 121.76 119.16 3cf9 s ALA 147 Ca -0.07 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.27 3cf9 s ALA 147 Cb 0.07 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.42 3cf9 s ALA 147 CO 0.68 -0.41 -0.07 -1.83 0.00 0.00 0.00 175.76 174.12 3cf9 s GLU 148 N -2.17 0.71 -0.10 0.00 -1.05 -0.80 -0.21 118.70 115.09 3cf9 s GLU 148 Ca -0.07 -1.08 -0.30 0.00 -0.15 0.00 0.00 54.97 53.36 3cf9 s GLU 148 Cb -0.02 -0.27 0.11 0.00 -0.44 0.00 0.00 34.13 33.51 3cf9 s GLU 148 CO -0.00 0.02 0.88 0.00 0.95 0.00 0.00 175.26 177.11 3cf9 s ALA 149 N -2.61 -1.86 0.02 -0.84 0.00 -0.91 -2.13 121.76 113.43 3cf9 s ALA 149 Ca 0.02 1.41 0.08 0.00 0.00 0.00 0.00 51.96 53.47 3cf9 s ALA 149 Cb -0.02 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 3cf9 s ALA 149 CO -0.02 -0.39 -0.24 -1.21 0.00 0.00 0.00 175.76 173.89 3cf9 s GLU 150 N -1.47 1.99 0.01 0.00 2.02 0.50 -1.96 118.70 119.79 3cf9 s GLU 150 Ca -0.03 -1.00 -0.01 0.00 0.02 0.00 0.00 54.97 53.94 3cf9 s GLU 150 Cb -0.00 -2.05 -0.01 0.00 0.10 0.00 0.00 34.13 32.16 3cf9 s GLU 150 CO 0.02 0.54 0.01 -0.51 0.02 0.00 0.00 175.26 175.34 3cf9 s LEU 151 N -1.01 2.05 -0.03 1.80 1.43 0.18 -0.58 118.68 122.51 3cf9 s LEU 151 Ca 0.11 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 3cf9 s LEU 151 Cb -0.10 0.16 0.01 0.00 0.03 0.00 0.00 46.19 46.29 3cf9 s LEU 151 CO 0.01 -0.21 -0.09 -0.75 0.23 0.00 0.00 176.35 175.54 3cf9 s LYS 152 N -0.97 1.03 0.05 1.70 2.20 -0.86 -1.07 119.74 121.82 3cf9 s LYS 152 Ca -0.11 -0.30 0.02 0.00 -0.36 0.00 0.00 55.97 55.22 3cf9 s LYS 152 Cb -0.06 -0.95 -0.03 0.00 -1.51 0.00 0.00 37.83 35.27 3cf9 s LYS 152 CO -0.00 0.09 -0.07 0.00 -0.36 0.00 0.00 175.35 175.01 3cf9 s ALA 153 N 0.29 0.61 -0.11 3.13 0.00 0.21 -0.35 121.76 125.54 3cf9 s ALA 153 Ca -0.05 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.00 3cf9 s ALA 153 Cb -0.10 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 3cf9 s ALA 153 CO 0.01 -0.12 -0.16 1.41 0.00 0.00 0.00 175.76 176.90 3cf9 s MET 154 N -2.30 3.18 0.06 0.00 1.75 0.14 -0.46 119.30 121.68 3cf9 s MET 154 Ca -0.04 -0.74 -0.26 0.00 -1.25 0.00 0.00 55.69 53.40 3cf9 s MET 154 Cb -0.05 -2.51 -0.06 0.00 2.84 0.00 0.00 34.83 35.05 3cf9 s MET 154 CO -0.02 0.26 0.80 0.42 -0.65 0.00 0.00 175.02 175.83 3cf9 s ILE 155 N 0.21 4.68 0.33 10.11 -1.09 0.44 -0.50 121.20 135.38 3cf9 s ILE 155 Ca -0.10 1.71 -0.01 0.00 -2.23 0.00 0.00 60.65 60.02 3cf9 s ILE 155 Cb -0.16 -4.15 -0.00 0.00 -1.58 0.00 0.00 42.46 36.57 3cf9 s ILE 155 CO 0.06 0.36 0.43 0.00 -1.23 0.00 0.00 174.94 174.56 3cf9 s ALA 156 N -0.06 0.90 -0.05 9.38 0.00 -0.22 -4.87 121.76 126.84 3cf9 s ALA 156 Ca 0.40 -1.58 -0.19 0.00 0.00 0.00 0.00 51.96 50.60 3cf9 s ALA 156 Cb -0.21 1.21 -0.05 0.00 0.00 0.00 0.00 23.12 24.07 3cf9 s ALA 156 CO 0.24 -0.77 0.52 -1.21 0.00 0.00 0.00 175.76 174.54 3cf9 s GLU 157 N -3.19 4.25 0.47 0.00 0.41 -1.26 -1.58 118.70 117.80 3cf9 s GLU 157 Ca 0.32 0.57 -0.23 0.00 -0.41 0.00 0.00 54.97 55.21 3cf9 s GLU 157 Cb 0.00 -3.35 -0.07 0.00 -1.78 0.00 0.00 34.13 28.93 3cf9 s GLU 157 CO 0.20 0.35 1.23 0.50 -0.49 0.00 0.00 175.26 177.06 3cf9 s ARG 158 N -0.05 3.65 0.00 1.61 3.52 0.53 -4.69 118.95 123.52 3cf9 s ARG 158 Ca 0.28 1.94 0.00 0.00 -0.13 0.00 0.00 55.73 57.82 3cf9 s ARG 158 Cb -0.17 -2.43 0.00 0.00 -1.56 0.00 0.00 34.95 30.79 3cf9 s ARG 158 CO 0.14 -0.69 0.00 -0.85 -0.81 0.00 0.00 175.30 173.09