#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 3.26 0.46 3.69 0.40 -0.30 -4.97 117.98 120.53 3cf9 s PHE 12 Ca 0.00 0.23 0.07 0.00 -0.60 0.00 0.00 56.93 56.63 3cf9 s PHE 12 Cb 0.00 -1.77 -0.00 0.00 0.51 0.00 0.00 43.02 41.76 3cf9 s PHE 12 CO 0.00 0.54 0.36 -0.06 0.70 0.00 0.00 175.22 176.76 3cf9 s PHE 13 N -1.07 2.27 0.34 0.36 0.40 -1.26 -0.79 117.98 118.23 3cf9 s PHE 13 Ca 0.19 -0.64 0.10 0.00 -0.60 0.00 0.00 56.93 55.98 3cf9 s PHE 13 Cb -0.12 -2.04 0.87 0.00 0.51 0.00 0.00 43.02 42.24 3cf9 s PHE 13 CO 0.09 -0.21 1.79 0.97 0.70 0.00 0.00 175.22 178.56 3cf9 h ILE 14 N 0.99 0.67 -0.47 0.64 6.09 -1.92 -0.32 117.51 123.18 3cf9 h ILE 14 Ca -0.40 -0.22 -0.08 0.00 -1.37 0.00 0.00 64.86 62.79 3cf9 h ILE 14 Cb 1.28 -0.02 -0.02 0.00 0.47 0.00 0.00 36.82 38.53 3cf9 h ILE 14 CO 0.59 0.12 -0.05 -0.33 -3.07 0.00 0.00 178.15 175.41 3cf9 h GLU 15 N 0.63 0.81 -0.31 2.19 3.07 -1.95 0.20 114.58 119.22 3cf9 h GLU 15 Ca 0.56 -0.24 -0.06 0.00 -0.50 0.00 0.00 59.36 59.11 3cf9 h GLU 15 Cb 1.06 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.87 3cf9 h GLU 15 CO -0.33 0.85 -0.06 0.45 -1.40 0.00 0.00 179.01 178.52 3cf9 h HIS 16 N 0.74 0.65 -0.53 4.33 3.86 -1.51 -3.14 115.15 119.56 3cf9 h HIS 16 Ca 0.14 -0.13 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3cf9 h HIS 16 Cb 0.52 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 3cf9 h HIS 16 CO 0.03 0.76 0.32 0.82 0.86 0.00 0.00 177.93 180.71 3cf9 h ILE 17 N 0.36 1.05 -0.08 2.45 2.04 -0.51 -2.44 117.51 120.39 3cf9 h ILE 17 Ca 0.08 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.75 3cf9 h ILE 17 Cb 0.53 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 3cf9 h ILE 17 CO 0.03 0.11 0.07 -0.07 0.00 0.00 0.00 178.15 178.29 3cf9 h LEU 18 N 0.63 0.00 0.00 1.44 3.38 -0.66 -0.73 115.31 119.36 3cf9 h LEU 18 Ca 0.21 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3cf9 h LEU 18 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3cf9 h LEU 18 CO -0.10 0.00 -0.15 1.56 0.09 0.00 0.00 178.44 179.84 3cf9 h GLN 19 N 0.00 0.00 0.00 1.13 4.20 -1.39 -3.39 115.11 115.67 3cf9 h GLN 19 Ca 0.04 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.38 3cf9 h GLN 19 Cb 0.17 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 27.90 3cf9 h GLN 19 CO -0.00 0.13 -2.21 -0.89 -0.67 0.00 0.00 178.83 175.19 3cf9 n ILE 20 N -3.13 1.52 -2.88 2.54 2.08 -0.74 -4.55 119.36 114.21 3cf9 n ILE 20 Ca 0.03 -0.28 -0.40 0.00 0.56 0.00 0.00 62.75 62.67 3cf9 n ILE 20 Cb 0.58 -1.98 -0.05 0.00 -0.75 0.00 0.00 39.64 37.45 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 -7.60 4.54 0.05 1.39 1.43 -0.36 -4.85 118.68 113.28 3cf9 s LEU 21 Ca -0.37 1.68 0.28 0.00 -1.03 0.00 0.00 54.13 54.69 3cf9 s LEU 21 Cb 0.13 -3.40 1.11 0.00 0.03 0.00 0.00 46.19 44.06 3cf9 s LEU 21 CO 0.48 0.08 1.87 -0.81 0.23 0.00 0.00 176.35 178.20 3cf9 n PRO 22 N 2.21 0.06 -2.02 1.29 -0.04 -1.26 -4.69 135.00 130.55 3cf9 n PRO 22 Ca -0.02 0.06 -0.41 0.00 -0.04 0.00 0.00 63.50 63.09 3cf9 n PRO 22 Cb 0.49 -1.57 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 3cf9 n PRO 22 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3cf9 s HIS 23 N -3.03 2.91 0.37 0.54 3.76 -1.26 -5.04 115.29 113.53 3cf9 s HIS 23 Ca 0.13 1.32 0.05 0.00 -0.15 0.00 0.00 55.06 56.41 3cf9 s HIS 23 Cb 0.17 -3.79 -0.02 0.00 1.11 0.00 0.00 32.58 30.05 3cf9 s HIS 23 CO 0.53 -2.23 0.18 0.54 -0.85 0.00 0.00 174.74 172.91 3cf9 n ARG 24 N 0.76 0.53 -1.76 1.40 5.12 -1.26 -4.63 116.66 116.82 3cf9 n ARG 24 Ca 0.01 -3.26 -0.41 0.00 -1.93 0.00 0.00 57.85 52.26 3cf9 n ARG 24 Cb 0.41 2.04 -0.00 0.00 -1.16 0.00 0.00 32.46 33.74 3cf9 n ARG 24 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 3cf9 n TYR 25 N -0.79 2.85 -1.18 -1.55 4.19 -1.26 -0.02 117.16 119.40 3cf9 n TYR 25 Ca -0.02 0.45 -0.29 0.00 3.31 0.00 0.00 57.90 61.35 3cf9 n TYR 25 Cb 0.58 -2.52 0.07 0.00 0.49 0.00 0.00 39.34 37.97 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 0.63 2.40 0.00 2.98 -0.04 -1.26 -4.91 135.00 134.80 3cf9 n PRO 26 Ca 0.03 -2.77 0.00 0.00 -0.04 0.00 0.00 63.50 60.72 3cf9 n PRO 26 Cb 0.38 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 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 -0.57 1.53 -3.04 0.54 2.81 0.97 -4.95 117.12 114.41 3cf9 n MET 27 Ca 0.53 -1.02 -0.43 0.00 -1.81 0.00 0.00 57.70 54.97 3cf9 n MET 27 Cb 0.70 -0.83 -0.06 0.00 -0.71 0.00 0.00 33.22 32.32 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 -0.55 4.52 -0.26 4.03 2.96 -0.88 -4.68 118.68 123.83 3cf9 s LEU 28 Ca 0.00 -0.49 0.11 0.00 -0.22 0.00 0.00 54.13 53.53 3cf9 s LEU 28 Cb 0.00 -2.70 0.48 0.00 0.50 0.00 0.00 46.19 44.47 3cf9 s LEU 28 CO 0.00 -0.94 1.40 0.18 -1.32 0.00 0.00 176.35 175.67 3cf9 n LEU 29 N 6.57 3.73 -3.91 -0.68 4.77 -1.26 -4.90 117.00 121.33 3cf9 n LEU 29 Ca -0.02 -3.69 -0.22 0.00 -0.03 0.00 0.00 56.01 52.06 3cf9 n LEU 29 Cb 0.47 -0.60 -0.17 0.00 -2.33 0.00 0.00 43.42 40.80 3cf9 n LEU 29 CO 0.57 1.20 -0.42 -0.69 -1.33 0.00 0.00 177.39 176.72 3cf9 s VAL 30 N -3.19 0.69 -0.14 4.08 1.01 -1.26 -4.57 120.40 117.03 3cf9 s VAL 30 Ca 0.42 -0.19 0.17 0.00 0.00 0.00 0.00 61.98 62.38 3cf9 s VAL 30 Cb 0.39 -0.70 -0.25 0.00 0.00 0.00 0.00 36.38 35.82 3cf9 s VAL 30 CO -0.01 0.27 0.16 0.47 0.00 0.00 0.00 175.10 175.99 3cf9 n ASP 31 N 4.15 0.44 -3.63 3.32 8.00 0.33 -4.96 116.55 124.19 3cf9 n ASP 31 Ca -0.22 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.17 3cf9 n ASP 31 Cb 0.51 1.20 -0.07 0.00 -0.02 0.00 0.00 41.12 42.74 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 -2.69 0.70 -0.37 -1.24 3.52 -1.08 -3.28 118.95 114.52 3cf9 s ARG 32 Ca -0.09 0.91 -0.13 0.00 -0.13 0.00 0.00 55.73 56.29 3cf9 s ARG 32 Cb 0.07 0.31 0.00 0.00 -1.56 0.00 0.00 34.95 33.77 3cf9 s ARG 32 CO 0.78 -0.10 0.25 0.42 -0.81 0.00 0.00 175.30 175.84 3cf9 s ILE 33 N 0.59 5.13 -0.17 4.11 -1.09 0.03 -1.48 121.20 128.31 3cf9 s ILE 33 Ca -0.01 -0.49 0.20 0.00 -2.23 0.00 0.00 60.65 58.12 3cf9 s ILE 33 Cb -0.05 -3.75 -0.10 0.00 -1.58 0.00 0.00 42.46 36.98 3cf9 s ILE 33 CO -0.05 -0.15 0.86 0.35 -1.23 0.00 0.00 174.94 174.71 3cf9 n THR 34 N 5.10 0.75 -3.72 2.92 -2.24 -0.36 -1.15 114.28 115.57 3cf9 n THR 34 Ca -0.12 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 60.93 3cf9 n THR 34 Cb 0.48 -0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 68.19 3cf9 n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3cf9 s GLU 35 N -3.21 0.51 -0.23 -0.78 2.12 -0.86 -4.61 118.70 111.64 3cf9 s GLU 35 Ca -0.03 0.61 -0.06 0.00 0.36 0.00 0.00 54.97 55.85 3cf9 s GLU 35 Cb 0.10 0.25 0.11 0.00 0.26 0.00 0.00 34.13 34.85 3cf9 s GLU 35 CO 0.82 -0.06 0.45 -1.17 -0.54 0.00 0.00 175.26 174.76 3cf9 s LEU 36 N 0.24 -0.77 -0.20 2.70 2.96 -1.26 -1.14 118.68 121.22 3cf9 s LEU 36 Ca -0.00 0.89 -0.01 0.00 -0.22 0.00 0.00 54.13 54.79 3cf9 s LEU 36 Cb -0.03 1.49 0.01 0.00 0.50 0.00 0.00 46.19 48.15 3cf9 s LEU 36 CO 0.00 -0.25 -0.13 -1.10 -1.32 0.00 0.00 176.35 173.56 3cf9 s GLN 37 N 2.66 3.15 0.28 1.98 -0.21 -0.07 -5.00 119.66 122.44 3cf9 s GLN 37 Ca 0.03 -0.75 -0.30 0.00 0.02 0.00 0.00 55.36 54.36 3cf9 s GLN 37 Cb -0.13 -2.77 -0.12 0.00 1.00 0.00 0.00 33.01 30.99 3cf9 s GLN 37 CO -0.15 -0.21 1.48 0.00 -2.12 0.00 0.00 175.29 174.28 3cf9 n ALA 38 N 4.70 1.80 -0.70 6.09 0.00 -1.26 -1.61 120.51 129.52 3cf9 n ALA 38 Ca -0.20 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.63 3cf9 n ALA 38 Cb 0.50 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 1.90 -1.01 0.00 0.00 4.13 -1.26 -4.74 115.26 114.27 3cf9 n ASN 39 Ca 0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.35 3cf9 n ASN 39 Cb 0.35 -2.01 0.00 0.00 -1.54 0.00 0.00 39.78 36.58 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 -1.62 0.00 -3.83 3.52 6.02 -0.63 -4.55 117.38 116.28 3cf9 n GLN 40 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 3cf9 n GLN 40 Cb 0.07 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.29 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 -0.84 1.39 -0.02 -1.09 -2.85 -0.72 0.03 119.74 115.64 3cf9 s LYS 41 Ca 0.00 -1.00 -0.01 0.00 -1.00 0.00 0.00 55.97 53.96 3cf9 s LYS 41 Cb 0.00 0.49 0.02 0.00 -2.06 0.00 0.00 37.83 36.28 3cf9 s LYS 41 CO 0.00 -0.58 0.05 -1.50 0.10 0.00 0.00 175.35 173.42 3cf9 s ILE 42 N -3.92 -0.03 -0.15 3.79 2.07 -0.10 -0.90 121.20 121.97 3cf9 s ILE 42 Ca 0.13 0.11 -0.02 0.00 -1.41 0.00 0.00 60.65 59.46 3cf9 s ILE 42 Cb -0.00 -0.09 -0.02 0.00 0.13 0.00 0.00 42.46 42.48 3cf9 s ILE 42 CO 0.00 0.05 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.30 3cf9 s VAL 43 N 0.59 3.34 0.14 4.00 1.01 -0.29 -2.00 120.40 127.19 3cf9 s VAL 43 Ca -0.05 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 3cf9 s VAL 43 Cb -0.07 -2.44 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 3cf9 s VAL 43 CO -0.02 0.50 0.19 0.00 0.00 0.00 0.00 175.10 175.77 3cf9 s ALA 44 N 0.50 0.24 0.08 5.51 0.00 -0.35 -1.23 121.76 126.52 3cf9 s ALA 44 Ca -0.07 -1.03 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 3cf9 s ALA 44 Cb -0.15 0.78 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 3cf9 s ALA 44 CO 0.04 -0.57 0.15 1.52 0.00 0.00 0.00 175.76 176.90 3cf9 s TYR 45 N -3.97 0.20 -0.08 0.00 1.13 -0.55 0.15 117.35 114.24 3cf9 s TYR 45 Ca 0.17 -0.63 0.03 0.00 -1.41 0.00 0.00 57.07 55.22 3cf9 s TYR 45 Cb 0.05 -0.11 0.01 0.00 -1.10 0.00 0.00 41.96 40.81 3cf9 s TYR 45 CO -0.02 -0.50 -0.16 0.21 -2.51 0.00 0.00 175.55 172.57 3cf9 s LYS 46 N -3.74 2.16 0.24 -3.49 2.20 0.49 -0.51 119.74 117.08 3cf9 s LYS 46 Ca 0.04 -0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 54.79 3cf9 s LYS 46 Cb 0.05 -1.73 -0.09 0.00 -1.51 0.00 0.00 37.83 34.55 3cf9 s LYS 46 CO -0.10 0.05 1.09 -0.80 -0.36 0.00 0.00 175.35 175.23 3cf9 s ASN 47 N 0.64 7.28 -0.19 1.43 0.01 -1.26 -0.17 114.94 122.67 3cf9 s ASN 47 Ca -0.14 2.19 -0.05 0.00 -0.71 0.00 0.00 52.86 54.14 3cf9 s ASN 47 Cb -0.16 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 38.85 3cf9 s ASN 47 CO 0.04 -0.16 0.01 -0.63 -1.51 0.00 0.00 177.10 174.85 3cf9 s ILE 48 N -0.79 4.15 0.07 0.60 -1.09 -0.10 -4.91 121.20 119.13 3cf9 s ILE 48 Ca 0.46 -0.25 0.03 0.00 -2.23 0.00 0.00 60.65 58.66 3cf9 s ILE 48 Cb -0.31 -2.87 -0.03 0.00 -1.58 0.00 0.00 42.46 37.68 3cf9 s ILE 48 CO 0.38 0.44 -0.08 0.28 -1.23 0.00 0.00 174.94 174.73 3cf9 s THR 49 N 0.77 0.69 0.50 2.92 -1.32 -1.26 0.03 115.64 117.96 3cf9 s THR 49 Ca 0.01 -1.42 0.23 0.00 -1.21 0.00 0.00 61.69 59.30 3cf9 s THR 49 Cb -0.14 -1.05 0.28 0.00 -1.51 0.00 0.00 72.50 70.08 3cf9 s THR 49 CO 0.02 -0.53 2.13 0.15 -2.21 0.00 0.00 174.62 174.18 3cf9 h PHE 50 N 3.92 0.00 0.00 9.09 3.57 -1.95 -3.25 116.94 128.31 3cf9 h PHE 50 Ca -0.36 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.14 3cf9 h PHE 50 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3cf9 h PHE 50 CO 0.63 0.07 0.00 -1.71 -2.23 0.00 0.00 178.31 175.07 3cf9 n ASN 51 N -4.06 4.17 -4.44 0.41 4.05 -1.26 -4.75 115.26 109.38 3cf9 n ASN 51 Ca -0.03 -2.12 -0.32 0.00 0.45 0.00 0.00 54.58 52.56 3cf9 n ASN 51 Cb 0.16 -0.85 -0.14 0.00 1.23 0.00 0.00 39.78 40.19 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 0.19 2.35 0.26 1.20 2.02 -1.23 -5.04 118.70 118.45 3cf9 s GLU 52 Ca 0.00 -0.79 -0.04 0.00 0.02 0.00 0.00 54.97 54.16 3cf9 s GLU 52 Cb 0.00 -2.27 0.31 0.00 0.10 0.00 0.00 34.13 32.27 3cf9 s GLU 52 CO 0.00 0.60 1.88 0.22 0.02 0.00 0.00 175.26 177.98 3cf9 h ASP 53 N 5.26 1.01 -1.14 -0.19 3.58 -1.94 -2.71 116.42 120.29 3cf9 h ASP 53 Ca -0.46 -0.09 0.33 0.00 0.42 0.00 0.00 57.03 57.23 3cf9 h ASP 53 Cb 1.15 -0.26 -0.05 0.00 1.72 0.00 0.00 39.33 41.89 3cf9 h ASP 53 CO 0.49 0.82 0.81 -0.37 -2.88 0.00 0.00 179.24 178.11 3cf9 h VAL 54 N 1.13 0.43 0.00 2.25 -1.51 -1.96 -1.78 116.25 114.82 3cf9 h VAL 54 Ca 0.29 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.75 3cf9 h VAL 54 Cb 0.04 0.41 0.00 0.00 -2.13 0.00 0.00 31.29 29.61 3cf9 h VAL 54 CO -0.04 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.79 3cf9 n PHE 55 N -4.22 0.78 0.30 5.19 0.99 -1.02 -2.23 117.46 117.25 3cf9 n PHE 55 Ca 0.24 0.27 0.15 0.00 -0.00 0.00 0.00 57.45 58.11 3cf9 n PHE 55 Cb 1.19 -0.93 0.92 0.00 -1.00 0.00 0.00 39.48 39.65 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 0.00 0.00 4.37 2.35 -1.50 -3.29 115.58 117.51 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 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3cf9 h ASN 56 CO 0.00 0.01 0.00 0.61 -1.65 0.00 0.00 177.43 176.40 3cf9 n GLY 57 N -1.26 -0.14 2.24 2.83 0.00 -0.99 -4.24 105.19 103.63 3cf9 n GLY 57 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.03 -0.61 -4.28 1.61 -0.00 -0.95 -4.48 115.22 106.47 3cf9 n HIS 58 Ca 0.00 -3.42 -0.17 0.00 -0.00 0.00 0.00 57.72 54.13 3cf9 n HIS 58 Cb 0.18 -0.18 -0.10 0.00 -0.00 0.00 0.00 29.99 29.88 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 -0.97 1.49 0.16 1.57 0.40 0.60 -1.18 117.98 120.05 3cf9 s PHE 59 Ca 0.35 -0.61 -0.34 0.00 -0.60 0.00 0.00 56.93 55.73 3cf9 s PHE 59 Cb 0.16 -0.74 -0.14 0.00 0.51 0.00 0.00 43.02 42.81 3cf9 s PHE 59 CO -0.12 0.21 1.52 -0.35 0.70 0.00 0.00 175.22 177.17 3cf9 n PRO 60 N 0.04 1.97 -0.80 0.24 -0.04 -1.26 -0.98 135.00 134.16 3cf9 n PRO 60 Ca -0.12 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 3cf9 n PRO 60 Cb 0.59 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 3cf9 n PRO 60 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3cf9 n ASN 61 N 3.11 -2.36 -3.02 3.54 3.02 -1.26 -4.88 115.26 113.41 3cf9 n ASN 61 Ca 0.17 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.59 3cf9 n ASN 61 Cb 0.28 -2.23 -0.03 0.00 -0.61 0.00 0.00 39.78 37.18 3cf9 n ASN 61 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3cf9 s LYS 62 N -1.07 0.98 -0.18 3.52 2.20 -0.16 -5.13 119.74 119.91 3cf9 s LYS 62 Ca 0.00 -1.37 -0.29 0.00 -0.36 0.00 0.00 55.97 53.95 3cf9 s LYS 62 Cb 0.00 -0.53 -0.03 0.00 -1.51 0.00 0.00 37.83 35.76 3cf9 s LYS 62 CO 0.00 -1.34 1.53 -1.25 -0.36 0.00 0.00 175.35 173.94 3cf9 s PRO 63 N 0.68 3.98 -0.08 4.03 0.04 -1.22 -0.29 135.00 142.14 3cf9 s PRO 63 Ca 0.30 1.76 -0.01 0.00 0.04 0.00 0.00 61.00 63.09 3cf9 s PRO 63 Cb 0.00 -3.96 0.03 0.00 0.04 0.00 0.00 34.50 30.61 3cf9 s PRO 63 CO -0.10 -1.06 -0.02 0.42 0.04 0.00 0.00 177.00 176.28 3cf9 s ILE 64 N 4.53 0.55 0.02 0.56 1.01 -0.32 -4.55 121.20 122.99 3cf9 s ILE 64 Ca 0.68 0.00 -0.30 0.00 0.00 0.00 0.00 60.65 61.03 3cf9 s ILE 64 Cb -0.26 -0.67 -0.07 0.00 0.01 0.00 0.00 42.46 41.48 3cf9 s ILE 64 CO 0.26 0.29 1.61 0.12 0.00 0.00 0.00 174.94 177.22 3cf9 s PHE 65 N 1.84 2.35 0.22 3.97 5.36 0.63 -4.55 117.98 127.80 3cf9 s PHE 65 Ca 0.04 0.36 -0.32 0.00 -0.96 0.00 0.00 56.93 56.05 3cf9 s PHE 65 Cb -0.12 -3.90 -0.13 0.00 -0.34 0.00 0.00 43.02 38.53 3cf9 s PHE 65 CO -0.06 -3.64 1.63 -2.30 -1.46 0.00 0.00 175.22 169.39 3cf9 n PRO 66 N 6.04 2.53 -0.24 10.12 -0.02 -1.26 -4.56 135.00 147.60 3cf9 n PRO 66 Ca 0.16 0.91 0.08 0.00 -2.02 0.00 0.00 63.50 62.62 3cf9 n PRO 66 Cb 0.42 -2.70 0.34 0.00 -0.02 0.00 0.00 33.50 31.53 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 5.87 1.12 2.00 -1.23 0.00 -1.99 -1.02 103.07 107.83 3cf9 h GLY 67 Ca -0.45 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.52 3cf9 h GLY 67 CO 0.88 0.20 -0.19 -0.39 0.00 0.00 0.00 176.54 177.05 3cf9 h VAL 68 N 0.80 0.86 0.00 4.60 -1.51 -1.99 -2.13 116.25 116.87 3cf9 h VAL 68 Ca 0.38 -0.71 -0.18 0.00 -1.23 0.00 0.00 66.70 64.95 3cf9 h VAL 68 Cb 0.40 1.41 -0.03 0.00 -2.13 0.00 0.00 31.29 30.95 3cf9 h VAL 68 CO -0.15 0.18 -0.86 -0.07 -1.23 0.00 0.00 177.57 175.44 3cf9 h LEU 69 N 0.00 0.00 -0.11 4.19 3.38 -1.58 -0.98 115.31 120.21 3cf9 h LEU 69 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 0.86 0.07 0.40 0.09 0.00 0.00 178.44 179.89 3cf9 h ILE 70 N 0.00 1.04 -0.60 1.22 2.04 -0.85 -1.06 117.51 119.30 3cf9 h ILE 70 Ca -0.01 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3cf9 h ILE 70 Cb 1.62 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 38.56 3cf9 h ILE 70 CO 0.11 0.03 0.26 0.58 0.00 0.00 0.00 178.15 179.13 3cf9 h VAL 71 N 0.14 1.21 -0.71 1.67 2.07 -1.35 -1.81 116.25 117.47 3cf9 h VAL 71 Ca 0.04 -0.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3cf9 h VAL 71 Cb -0.01 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3cf9 h VAL 71 CO -0.01 0.25 0.36 -0.08 0.02 0.00 0.00 177.57 178.11 3cf9 h GLU 72 N 0.85 1.02 -0.26 1.57 4.57 -0.98 -0.77 114.58 120.57 3cf9 h GLU 72 Ca 0.21 -0.14 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 3cf9 h GLU 72 Cb 0.13 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3cf9 h GLU 72 CO -0.02 0.79 -0.19 0.78 -1.18 0.00 0.00 179.01 179.19 3cf9 h GLY 73 N 0.99 0.50 0.91 1.92 0.00 -0.74 -0.73 103.07 105.92 3cf9 h GLY 73 Ca 0.25 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 3cf9 h GLY 73 CO -0.03 0.34 -0.12 -0.33 0.00 0.00 0.00 176.54 176.40 3cf9 h MET 74 N 0.42 0.62 -0.36 4.80 2.86 -1.16 -1.96 114.93 120.16 3cf9 h MET 74 Ca 0.07 -0.26 0.01 0.00 -2.06 0.00 0.00 59.70 57.46 3cf9 h MET 74 Cb 0.57 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3cf9 h MET 74 CO 0.04 0.84 0.23 0.00 1.06 0.00 0.00 176.91 179.07 3cf9 h ALA 75 N 0.77 0.45 -0.75 6.32 0.00 -0.95 -0.06 119.26 125.04 3cf9 h ALA 75 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3cf9 h ALA 75 Cb 0.64 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 3cf9 h ALA 75 CO 0.04 -0.10 0.32 1.96 0.00 0.00 0.00 179.25 181.47 3cf9 h GLN 76 N 0.47 1.10 -0.38 0.00 4.20 -1.11 0.28 115.11 119.67 3cf9 h GLN 76 Ca 0.13 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3cf9 h GLN 76 Cb -0.04 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 3cf9 h GLN 76 CO -0.04 0.88 0.12 0.77 -0.67 0.00 0.00 178.83 179.89 3cf9 h SER 77 N 1.08 0.54 -0.41 1.46 0.02 -1.20 -1.58 113.55 113.47 3cf9 h SER 77 Ca 0.26 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 3cf9 h SER 77 Cb 0.17 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 3cf9 h SER 77 CO -0.03 0.60 -0.02 1.23 -1.14 0.00 0.00 176.83 177.47 3cf9 h GLY 78 N 0.46 0.88 1.05 -3.77 0.00 -0.49 -1.14 103.07 100.06 3cf9 h GLY 78 Ca 0.12 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.77 3cf9 h GLY 78 CO -0.01 0.56 0.11 -1.33 0.00 0.00 0.00 176.54 175.88 3cf9 h GLY 79 N 0.98 1.12 1.05 4.60 0.00 -0.44 -1.99 103.07 108.39 3cf9 h GLY 79 Ca 0.14 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.68 3cf9 h GLY 79 CO 0.02 0.69 0.31 -2.75 0.00 0.00 0.00 176.54 174.81 3cf9 h PHE 80 N 0.95 1.20 0.06 5.60 3.57 -0.91 -0.50 116.94 126.91 3cf9 h PHE 80 Ca 0.19 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 3cf9 h PHE 80 Cb 0.42 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3cf9 h PHE 80 CO 0.03 0.91 -0.03 1.25 -2.23 0.00 0.00 178.31 178.24 3cf9 h LEU 81 N 1.14 -0.07 0.05 0.59 5.85 -1.14 -1.66 115.31 120.08 3cf9 h LEU 81 Ca 0.26 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 3cf9 h LEU 81 Cb 0.22 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3cf9 h LEU 81 CO -0.02 0.03 -0.03 0.00 -0.34 0.00 0.00 178.44 178.08 3cf9 h ALA 82 N 0.77 -0.08 0.15 1.25 0.00 -1.23 -0.93 119.26 119.20 3cf9 h ALA 82 Ca -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3cf9 h ALA 82 Cb 0.14 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3cf9 h ALA 82 CO 0.01 -0.55 -0.18 0.35 0.00 0.00 0.00 179.25 178.89 3cf9 h PHE 83 N -0.09 -0.46 0.00 0.00 3.57 -1.09 -2.93 116.94 115.94 3cf9 h PHE 83 Ca -0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3cf9 h PHE 83 Cb 0.07 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3cf9 h PHE 83 CO -0.08 -0.26 -0.31 1.79 -2.23 0.00 0.00 178.31 177.21 3cf9 h THR 84 N -0.37 0.86 -0.64 4.41 1.35 -1.29 -1.33 112.91 115.91 3cf9 h THR 84 Ca 0.01 -1.26 0.04 0.00 -0.55 0.00 0.00 66.41 64.65 3cf9 h THR 84 Cb 0.36 1.76 -0.04 0.00 -1.73 0.00 0.00 68.15 68.50 3cf9 h THR 84 CO -0.06 0.31 0.38 0.28 -0.25 0.00 0.00 175.52 176.17 3cf9 h SER 85 N 0.00 0.61 0.06 5.36 0.02 -0.99 0.15 113.55 118.76 3cf9 h SER 85 Ca -0.00 0.01 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 3cf9 h SER 85 Cb 0.74 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.16 3cf9 h SER 85 CO 0.04 0.41 -0.78 -0.07 -1.14 0.00 0.00 176.83 175.30 3cf9 h LEU 86 N 0.74 0.21 -0.60 5.07 3.38 -1.34 -3.42 115.31 119.34 3cf9 h LEU 86 Ca 0.26 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3cf9 h LEU 86 Cb 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3cf9 h LEU 86 CO -0.13 1.34 -0.08 0.79 0.09 0.00 0.00 178.44 180.45 3cf9 n TRP 87 N -4.29 0.00 -4.52 1.13 8.01 -0.52 -5.12 117.44 112.13 3cf9 n TRP 87 Ca -0.19 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.00 3cf9 n TRP 87 Cb 0.70 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.00 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 0.64 -0.16 3.55 6.99 0.00 0.53 -4.20 105.19 112.53 3cf9 n GLY 88 Ca 0.02 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 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 2.82 -0.49 1.61 5.36 -1.26 -4.32 117.98 121.70 3cf9 s PHE 89 Ca 0.00 -1.40 0.03 0.00 -0.96 0.00 0.00 56.93 54.60 3cf9 s PHE 89 Cb 0.00 -4.64 0.14 0.00 -0.34 0.00 0.00 43.02 38.18 3cf9 s PHE 89 CO 0.00 -1.77 0.27 0.34 -1.46 0.00 0.00 175.22 172.60 3cf9 s ASP 90 N 4.25 3.88 0.36 6.13 -1.08 -1.26 -4.98 116.67 123.96 3cf9 s ASP 90 Ca 0.48 -2.89 0.07 0.00 -0.52 0.00 0.00 52.55 49.69 3cf9 s ASP 90 Cb 0.01 -1.26 0.76 0.00 -1.46 0.00 0.00 42.92 40.97 3cf9 s ASP 90 CO -0.01 -0.23 1.92 -0.65 0.52 0.00 0.00 175.17 176.72 3cf9 h PRO 91 N 6.48 0.72 -0.09 4.34 0.11 -1.91 -1.05 132.00 140.60 3cf9 h PRO 91 Ca -0.01 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3cf9 h PRO 91 Cb 0.90 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.84 3cf9 h PRO 91 CO 0.57 0.48 -0.01 0.93 -0.21 0.00 0.00 178.00 179.75 3cf9 h GLU 92 N 0.75 0.17 -0.32 1.05 5.08 -1.94 -2.92 114.58 116.45 3cf9 h GLU 92 Ca 0.36 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.60 3cf9 h GLU 92 Cb 0.42 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3cf9 h GLU 92 CO -0.14 0.46 -0.09 0.82 -1.00 0.00 0.00 179.01 179.06 3cf9 h ILE 93 N -0.14 1.22 -0.82 3.13 1.08 -1.95 -3.16 117.51 116.88 3cf9 h ILE 93 Ca 0.02 -0.97 0.13 0.00 -0.39 0.00 0.00 64.86 63.65 3cf9 h ILE 93 Cb 0.39 1.08 -0.09 0.00 -3.07 0.00 0.00 36.82 35.14 3cf9 h ILE 93 CO 0.01 0.32 0.43 0.00 -0.69 0.00 0.00 178.15 178.22 3cf9 h ALA 94 N 1.41 1.21 0.00 1.87 0.00 -1.01 -1.01 119.26 121.73 3cf9 h ALA 94 Ca 0.10 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3cf9 h ALA 94 Cb 0.46 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3cf9 h ALA 94 CO 0.02 -0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.87 3cf9 n LYS 95 N -4.84 0.06 0.00 0.00 5.02 -1.14 -2.12 118.16 115.15 3cf9 n LYS 95 Ca 0.15 0.36 0.09 0.00 -2.02 0.00 0.00 58.31 56.89 3cf9 n LYS 95 Cb 0.37 -1.63 0.05 0.00 -0.02 0.00 0.00 35.03 33.79 3cf9 n LYS 95 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3cf9 n THR 96 N -1.76 0.00 -4.41 -0.18 -2.24 -0.40 -4.78 114.28 100.51 3cf9 n THR 96 Ca 0.02 -0.44 -0.29 0.00 -2.27 0.00 0.00 64.05 61.08 3cf9 n THR 96 Cb 0.15 1.32 -0.13 0.00 -2.10 0.00 0.00 70.33 69.57 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 -1.70 1.42 -0.06 -0.78 -0.14 -0.90 0.13 119.74 117.71 3cf9 s LYS 97 Ca 0.19 -1.34 0.04 0.00 -1.36 0.00 0.00 55.97 53.50 3cf9 s LYS 97 Cb 0.15 -1.91 0.00 0.00 -1.68 0.00 0.00 37.83 34.39 3cf9 s LYS 97 CO 0.30 0.45 -0.17 0.42 -0.76 0.00 0.00 175.35 175.60 3cf9 s ILE 98 N -1.05 1.46 -0.38 2.17 1.01 0.15 -4.58 121.20 119.98 3cf9 s ILE 98 Ca 0.14 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 3cf9 s ILE 98 Cb -0.10 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.10 3cf9 s ILE 98 CO 0.06 0.42 0.29 -0.69 0.00 0.00 0.00 174.94 175.02 3cf9 s VAL 99 N 0.32 5.26 -0.21 2.92 1.01 -1.26 -0.43 120.40 128.01 3cf9 s VAL 99 Ca -0.11 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 3cf9 s VAL 99 Cb -0.14 -3.85 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3cf9 s VAL 99 CO 0.04 -0.20 -0.04 -0.47 0.00 0.00 0.00 175.10 174.44 3cf9 s TYR 100 N 1.73 2.96 -0.21 5.22 6.04 0.34 -4.94 117.35 128.49 3cf9 s TYR 100 Ca 0.06 -0.81 -0.24 0.00 0.04 0.00 0.00 57.07 56.12 3cf9 s TYR 100 Cb -0.18 -2.08 -0.01 0.00 -1.04 0.00 0.00 41.96 38.65 3cf9 s TYR 100 CO 0.10 -0.46 0.80 -0.06 -1.54 0.00 0.00 175.55 174.40 3cf9 s PHE 101 N 1.29 3.35 -0.18 4.97 0.40 -1.26 0.11 117.98 126.66 3cf9 s PHE 101 Ca 0.04 1.14 -0.15 0.00 -0.60 0.00 0.00 56.93 57.35 3cf9 s PHE 101 Cb -0.14 -3.00 -0.21 0.00 0.51 0.00 0.00 43.02 40.17 3cf9 s PHE 101 CO -0.01 -0.32 0.23 -1.33 0.70 0.00 0.00 175.22 174.48 3cf9 n MET 102 N 5.65 0.64 -4.14 0.44 2.81 -0.28 -4.98 117.12 117.26 3cf9 n MET 102 Ca 0.04 0.44 -0.10 0.00 -1.81 0.00 0.00 57.70 56.27 3cf9 n MET 102 Cb 0.48 -1.72 -0.10 0.00 -0.71 0.00 0.00 33.22 31.17 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 -2.45 0.58 -0.02 2.03 -4.23 -1.16 -5.03 115.64 105.37 3cf9 s THR 103 Ca -0.27 -1.79 -0.01 0.00 -1.18 0.00 0.00 61.69 58.44 3cf9 s THR 103 Cb 0.07 -1.49 0.01 0.00 1.34 0.00 0.00 72.50 72.43 3cf9 s THR 103 CO 0.65 -0.83 0.04 -0.63 -0.54 0.00 0.00 174.62 173.32 3cf9 s ILE 104 N -3.35 -0.02 0.14 2.99 1.01 -1.26 -2.42 121.20 118.28 3cf9 s ILE 104 Ca 0.08 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.69 3cf9 s ILE 104 Cb 0.04 -0.08 0.00 0.00 0.01 0.00 0.00 42.46 42.43 3cf9 s ILE 104 CO -0.05 0.03 0.29 -0.62 0.00 0.00 0.00 174.94 174.59 3cf9 s ASP 105 N 0.39 0.00 -1.43 3.58 3.68 -0.14 -4.96 116.67 117.81 3cf9 s ASP 105 Ca -0.03 -0.69 -0.10 0.00 2.13 0.00 0.00 52.55 53.86 3cf9 s ASP 105 Cb -0.05 0.42 0.03 0.00 -1.45 0.00 0.00 42.92 41.88 3cf9 s ASP 105 CO -0.01 -0.85 1.07 0.29 0.13 0.00 0.00 175.17 175.80 3cf9 n LYS 106 N -0.18 -6.91 -2.93 4.34 4.76 -1.26 -0.32 118.16 115.66 3cf9 n LYS 106 Ca -0.11 0.76 -0.41 0.00 -2.87 0.00 0.00 58.31 55.68 3cf9 n LYS 106 Cb 0.63 -5.75 -0.04 0.00 -1.84 0.00 0.00 35.03 28.03 3cf9 n LYS 106 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3cf9 s VAL 107 N -3.29 4.92 -0.05 -0.18 1.01 -1.26 -3.72 120.40 117.83 3cf9 s VAL 107 Ca 0.59 1.56 0.03 0.00 0.00 0.00 0.00 61.98 64.16 3cf9 s VAL 107 Cb -0.27 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.01 3cf9 s VAL 107 CO 0.73 0.07 -0.13 -0.54 0.00 0.00 0.00 175.10 175.23 3cf9 s LYS 108 N 1.92 1.54 -0.23 2.72 3.01 -0.76 -4.98 119.74 122.97 3cf9 s LYS 108 Ca 0.37 -0.44 -0.06 0.00 -1.01 0.00 0.00 55.97 54.83 3cf9 s LYS 108 Cb -0.17 -1.32 -0.03 0.00 -1.01 0.00 0.00 37.83 35.30 3cf9 s LYS 108 CO 0.13 0.11 0.04 -0.06 0.51 0.00 0.00 175.35 176.08 3cf9 s PHE 109 N 0.39 3.08 -0.17 3.18 0.40 -1.26 -1.38 117.98 122.21 3cf9 s PHE 109 Ca -0.09 -0.40 -0.09 0.00 -0.60 0.00 0.00 56.93 55.74 3cf9 s PHE 109 Cb -0.13 -2.17 -0.08 0.00 0.51 0.00 0.00 43.02 41.16 3cf9 s PHE 109 CO 0.02 -0.27 -0.24 0.54 0.70 0.00 0.00 175.22 175.97 3cf9 n ARG 110 N 4.55 0.38 -5.15 0.44 1.74 0.18 -4.99 116.66 113.82 3cf9 n ARG 110 Ca -0.17 0.17 -0.30 0.00 -0.77 0.00 0.00 57.85 56.79 3cf9 n ARG 110 Cb 0.52 -1.15 -0.16 0.00 -1.02 0.00 0.00 32.46 30.65 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 -2.36 1.87 0.41 0.55 1.01 -1.13 -5.05 121.20 116.50 3cf9 s ILE 111 Ca -0.25 -0.97 -0.25 0.00 0.00 0.00 0.00 60.65 59.17 3cf9 s ILE 111 Cb 0.09 -1.58 -0.08 0.00 0.01 0.00 0.00 42.46 40.90 3cf9 s ILE 111 CO 0.32 0.52 1.24 -2.84 0.00 0.00 0.00 174.94 174.19 3cf9 s PRO 112 N -0.21 3.96 -0.18 2.79 0.02 -1.26 -4.80 135.00 135.32 3cf9 s PRO 112 Ca -0.01 2.01 -0.07 0.00 0.02 0.00 0.00 61.00 62.95 3cf9 s PRO 112 Cb -0.12 -2.69 -0.04 0.00 0.02 0.00 0.00 34.50 31.67 3cf9 s PRO 112 CO 0.02 -0.45 0.06 0.08 -0.33 0.00 0.00 177.00 176.38 3cf9 s VAL 113 N -1.34 4.74 0.24 3.83 1.01 -1.26 -5.03 120.40 122.60 3cf9 s VAL 113 Ca 0.58 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 62.56 3cf9 s VAL 113 Cb -0.35 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.85 3cf9 s VAL 113 CO 0.44 0.46 -0.06 0.42 0.00 0.00 0.00 175.10 176.37 3cf9 s THR 114 N 0.37 1.43 0.15 3.92 -4.23 -1.26 -0.27 115.64 115.74 3cf9 s THR 114 Ca 0.03 -2.10 -0.34 0.00 -1.18 0.00 0.00 61.69 58.09 3cf9 s THR 114 Cb -0.12 -2.32 -0.15 0.00 1.34 0.00 0.00 72.50 71.24 3cf9 s THR 114 CO 0.00 -0.38 1.34 -2.65 -0.54 0.00 0.00 174.62 172.39 3cf9 n PRO 115 N -0.48 1.47 0.00 3.99 -0.02 -1.26 -1.92 135.00 136.77 3cf9 n PRO 115 Ca -0.06 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3cf9 n PRO 115 Cb 0.63 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 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 2.48 2.82 3.78 -1.23 0.00 0.10 -4.90 105.19 108.24 3cf9 n GLY 116 Ca 0.16 0.00 -0.37 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 -1.25 7.13 -0.44 1.61 -0.00 -0.81 -4.88 116.67 118.03 3cf9 s ASP 117 Ca 0.00 1.93 -0.16 0.00 -0.00 0.00 0.00 52.55 54.32 3cf9 s ASP 117 Cb 0.00 -2.58 0.04 0.00 -0.00 0.00 0.00 42.92 40.38 3cf9 s ASP 117 CO 0.00 -0.22 0.41 -0.60 -0.00 0.00 0.00 175.17 174.76 3cf9 s ARG 118 N -2.18 3.03 -0.56 8.23 3.52 -1.26 -0.92 118.95 128.81 3cf9 s ARG 118 Ca 0.53 -1.01 -0.23 0.00 -0.13 0.00 0.00 55.73 54.88 3cf9 s ARG 118 Cb -0.20 -4.03 0.05 0.00 -1.56 0.00 0.00 34.95 29.20 3cf9 s ARG 118 CO 0.26 -0.92 0.91 -1.17 -0.81 0.00 0.00 175.30 173.57 3cf9 s LEU 119 N 1.94 4.25 -0.21 -0.88 2.96 0.75 -4.46 118.68 123.03 3cf9 s LEU 119 Ca 0.08 -0.53 -0.10 0.00 -0.22 0.00 0.00 54.13 53.36 3cf9 s LEU 119 Cb -0.20 -2.71 -0.05 0.00 0.50 0.00 0.00 46.19 43.73 3cf9 s LEU 119 CO 0.10 -1.23 0.14 -0.70 -1.32 0.00 0.00 176.35 173.34 3cf9 s GLU 120 N 3.82 4.13 -0.20 1.98 2.12 -0.21 -0.38 118.70 129.96 3cf9 s GLU 120 Ca 0.27 -0.25 -0.08 0.00 0.36 0.00 0.00 54.97 55.28 3cf9 s GLU 120 Cb -0.14 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 3cf9 s GLU 120 CO 0.17 0.21 0.07 0.71 -0.54 0.00 0.00 175.26 175.87 3cf9 s TYR 121 N 0.63 3.22 -0.31 5.30 1.51 0.41 -0.12 117.35 127.98 3cf9 s TYR 121 Ca 0.07 -0.01 0.03 0.00 -1.01 0.00 0.00 57.07 56.15 3cf9 s TYR 121 Cb -0.12 -2.12 0.09 0.00 -0.11 0.00 0.00 41.96 39.70 3cf9 s TYR 121 CO 0.01 0.04 0.01 -1.01 -1.11 0.00 0.00 175.55 173.50 3cf9 s HIS 122 N 0.67 3.27 -0.04 2.71 3.76 -0.15 -1.21 115.29 124.30 3cf9 s HIS 122 Ca 0.04 -2.59 0.06 0.00 -0.15 0.00 0.00 55.06 52.42 3cf9 s HIS 122 Cb -0.13 -2.44 -0.02 0.00 1.11 0.00 0.00 32.58 31.10 3cf9 s HIS 122 CO 0.02 -0.91 -0.24 -0.51 -0.85 0.00 0.00 174.74 172.25 3cf9 s LEU 123 N 1.08 2.14 0.26 0.89 2.01 -0.85 -1.18 118.68 123.03 3cf9 s LEU 123 Ca 0.05 -0.46 0.11 0.00 0.01 0.00 0.00 54.13 53.84 3cf9 s LEU 123 Cb -0.19 -1.38 -0.05 0.00 0.01 0.00 0.00 46.19 44.58 3cf9 s LEU 123 CO -0.09 0.28 -0.13 -1.83 1.01 0.00 0.00 176.35 175.59 3cf9 s GLU 124 N -0.37 1.91 -0.30 1.70 -1.05 -0.28 -0.92 118.70 119.39 3cf9 s GLU 124 Ca 0.03 -1.60 -0.27 0.00 -0.15 0.00 0.00 54.97 52.97 3cf9 s GLU 124 Cb -0.12 -1.94 0.01 0.00 -0.44 0.00 0.00 34.13 31.64 3cf9 s GLU 124 CO 0.02 0.35 0.99 0.08 0.95 0.00 0.00 175.26 177.65 3cf9 s VAL 125 N -2.33 4.62 -0.13 1.83 1.01 0.10 -2.13 120.40 123.37 3cf9 s VAL 125 Ca 0.29 1.65 -0.29 0.00 0.00 0.00 0.00 61.98 63.63 3cf9 s VAL 125 Cb -0.06 -4.32 -0.26 0.00 0.00 0.00 0.00 36.38 31.74 3cf9 s VAL 125 CO 0.16 -0.36 0.79 -0.07 0.00 0.00 0.00 175.10 175.62 3cf9 h LEU 126 N 9.80 0.01 -7.08 3.92 3.38 -0.88 -3.48 115.31 120.98 3cf9 h LEU 126 Ca -0.21 -0.99 -0.04 0.00 0.09 0.00 0.00 57.88 56.73 3cf9 h LEU 126 Cb 1.07 -0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.68 3cf9 h LEU 126 CO 0.98 1.00 0.15 -1.59 0.09 0.00 0.00 178.44 179.07 3cf9 s LYS 127 N -2.28 1.18 -0.03 1.13 -2.85 -1.06 -5.02 119.74 110.81 3cf9 s LYS 127 Ca -0.19 -0.33 -0.06 0.00 -1.00 0.00 0.00 55.97 54.40 3cf9 s LYS 127 Cb -0.03 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.29 3cf9 s LYS 127 CO 0.69 -0.47 0.14 -3.38 0.10 0.00 0.00 175.35 172.43 3cf9 s HIS 128 N -3.08 -0.06 -0.18 1.78 -3.43 -1.26 -0.09 115.29 108.97 3cf9 s HIS 128 Ca -0.02 0.15 -0.04 0.00 -0.80 0.00 0.00 55.06 54.35 3cf9 s HIS 128 Cb -0.00 0.00 0.09 0.00 -1.43 0.00 0.00 32.58 31.23 3cf9 s HIS 128 CO -0.07 -0.17 0.24 0.21 -2.00 0.00 0.00 174.74 172.95 3cf9 s LYS 129 N -0.59 0.18 7.22 -0.38 2.20 -0.44 -5.03 119.74 122.91 3cf9 s LYS 129 Ca -0.07 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 3cf9 s LYS 129 Cb -0.04 -0.77 0.00 0.00 -1.51 0.00 0.00 37.83 35.51 3cf9 s LYS 129 CO 0.01 -0.53 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 3cf9 n GLY 130 N 5.33 3.05 0.91 5.54 0.00 -1.26 -2.09 105.19 116.67 3cf9 n GLY 130 Ca -0.05 0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 8.39 2.08 -3.47 1.61 2.81 -1.26 -4.86 117.12 122.42 3cf9 n MET 131 Ca 0.00 -1.90 -0.40 0.00 -1.81 0.00 0.00 57.70 53.59 3cf9 n MET 131 Cb 0.00 -1.42 -0.10 0.00 -0.71 0.00 0.00 33.22 30.99 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 -1.62 5.22 -0.10 2.02 -1.09 -0.89 -0.77 121.20 123.98 3cf9 s ILE 132 Ca 0.28 0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.84 3cf9 s ILE 132 Cb 0.19 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.35 3cf9 s ILE 132 CO 0.27 0.04 -0.23 0.26 -1.23 0.00 0.00 174.94 174.05 3cf9 s TRP 133 N 1.91 2.47 -0.23 3.97 0.52 -0.04 -1.33 118.94 126.21 3cf9 s TRP 133 Ca 0.10 -1.03 -0.05 0.00 0.02 0.00 0.00 56.10 55.14 3cf9 s TRP 133 Cb -0.16 -1.66 -0.01 0.00 -1.15 0.00 0.00 33.47 30.48 3cf9 s TRP 133 CO 0.11 -0.43 -0.01 -0.65 0.02 0.00 0.00 176.95 175.99 3cf9 s GLN 134 N 0.43 3.46 0.30 4.98 -0.21 0.88 -0.07 119.66 129.42 3cf9 s GLN 134 Ca -0.17 -0.58 0.11 0.00 0.02 0.00 0.00 55.36 54.73 3cf9 s GLN 134 Cb -0.18 -3.09 -0.05 0.00 1.00 0.00 0.00 33.01 30.69 3cf9 s GLN 134 CO 0.07 -0.19 -0.14 0.14 -2.12 0.00 0.00 175.29 173.05 3cf9 s VAL 135 N 1.50 2.48 0.04 1.09 -7.23 0.63 -0.16 120.40 118.74 3cf9 s VAL 135 Ca 0.06 -2.29 -0.27 0.00 -1.81 0.00 0.00 61.98 57.67 3cf9 s VAL 135 Cb -0.14 -2.47 0.09 0.00 0.56 0.00 0.00 36.38 34.42 3cf9 s VAL 135 CO -0.01 -0.33 0.84 -0.83 -0.31 0.00 0.00 175.10 174.46 3cf9 s GLY 136 N -3.56 -0.47 0.00 2.32 0.00 -0.91 -0.20 107.32 104.50 3cf9 s GLY 136 Ca 0.31 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.86 3cf9 s GLY 136 CO 0.16 0.27 0.00 0.61 0.00 0.00 0.00 173.10 174.14 3cf9 n GLY 137 N -0.29 -0.55 3.28 0.20 0.00 -0.75 -1.12 105.19 105.96 3cf9 n GLY 137 Ca -0.10 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 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 1.39 -0.16 2.61 -4.23 -0.33 -2.10 115.64 108.82 3cf9 s THR 138 Ca 0.00 -2.10 -0.06 0.00 -1.18 0.00 0.00 61.69 58.35 3cf9 s THR 138 Cb 0.00 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.90 3cf9 s THR 138 CO 0.00 -0.67 0.05 0.00 -0.54 0.00 0.00 174.62 173.45 3cf9 s ALA 139 N -3.13 3.37 0.00 3.99 0.00 0.98 -0.97 121.76 126.01 3cf9 s ALA 139 Ca 0.18 -0.75 0.05 0.00 0.00 0.00 0.00 51.96 51.44 3cf9 s ALA 139 Cb 0.01 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 21.31 3cf9 s ALA 139 CO 0.03 0.29 -0.16 -0.65 0.00 0.00 0.00 175.76 175.28 3cf9 s GLN 140 N 0.03 1.19 -0.14 0.00 -0.21 0.82 -0.08 119.66 121.27 3cf9 s GLN 140 Ca 0.05 -0.63 0.00 0.00 0.02 0.00 0.00 55.36 54.80 3cf9 s GLN 140 Cb -0.12 -1.18 0.02 0.00 1.00 0.00 0.00 33.01 32.73 3cf9 s GLN 140 CO 0.01 0.31 -0.13 0.08 -2.12 0.00 0.00 175.29 173.45 3cf9 s VAL 141 N -0.51 1.46 -1.44 1.09 1.01 -0.36 -1.04 120.40 120.60 3cf9 s VAL 141 Ca 0.05 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 3cf9 s VAL 141 Cb -0.07 -1.38 0.01 0.00 0.00 0.00 0.00 36.38 34.94 3cf9 s VAL 141 CO 0.00 0.44 0.38 -0.67 0.00 0.00 0.00 175.10 175.25 3cf9 n ASP 142 N 4.80 -0.29 0.00 3.32 2.03 -1.26 -1.92 116.55 123.23 3cf9 n ASP 142 Ca -0.16 -1.04 0.00 0.00 0.52 0.00 0.00 54.79 54.11 3cf9 n ASP 142 Cb 0.50 -2.84 0.00 0.00 -0.72 0.00 0.00 41.12 38.06 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 -2.03 2.59 3.79 0.27 0.00 -1.26 -5.03 105.19 103.52 3cf9 n GLY 143 Ca -0.29 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 4.45 -0.22 1.61 3.01 -0.81 -5.03 119.74 122.75 3cf9 s LYS 144 Ca 0.00 1.31 -0.28 0.00 -1.01 0.00 0.00 55.97 56.00 3cf9 s LYS 144 Cb 0.00 -2.63 0.00 0.00 -1.01 0.00 0.00 37.83 34.19 3cf9 s LYS 144 CO 0.00 0.15 0.98 0.08 0.51 0.00 0.00 175.35 177.07 3cf9 s VAL 145 N -1.74 4.73 -0.03 3.17 1.01 -1.26 -1.23 120.40 125.06 3cf9 s VAL 145 Ca 0.54 1.90 0.19 0.00 0.00 0.00 0.00 61.98 64.61 3cf9 s VAL 145 Cb -0.17 -4.26 -0.30 0.00 0.00 0.00 0.00 36.38 31.66 3cf9 s VAL 145 CO 0.22 -0.13 0.42 1.33 0.00 0.00 0.00 175.10 176.94 3cf9 n VAL 146 N 5.21 0.01 -3.51 2.92 0.24 0.88 -4.45 118.33 119.63 3cf9 n VAL 146 Ca 0.10 -0.44 -0.16 0.00 -2.04 0.00 0.00 64.34 61.80 3cf9 n VAL 146 Cb 0.47 0.06 -0.05 0.00 -1.47 0.00 0.00 33.84 32.84 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 -3.33 -1.77 0.12 2.33 0.00 -1.00 -0.65 121.76 117.47 3cf9 s ALA 147 Ca -0.07 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.16 3cf9 s ALA 147 Cb 0.12 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3cf9 s ALA 147 CO 0.80 -0.42 -0.09 -1.83 0.00 0.00 0.00 175.76 174.22 3cf9 s GLU 148 N -1.54 0.92 -0.23 0.00 -1.05 -0.48 -0.01 118.70 116.31 3cf9 s GLU 148 Ca -0.08 -1.32 -0.28 0.00 -0.15 0.00 0.00 54.97 53.14 3cf9 s GLU 148 Cb -0.00 -0.46 0.14 0.00 -0.44 0.00 0.00 34.13 33.38 3cf9 s GLU 148 CO 0.06 0.05 1.13 0.00 0.95 0.00 0.00 175.26 177.44 3cf9 s ALA 149 N -3.15 -2.01 0.06 -0.84 0.00 -0.89 -1.82 121.76 113.10 3cf9 s ALA 149 Ca 0.12 1.73 0.07 0.00 0.00 0.00 0.00 51.96 53.87 3cf9 s ALA 149 Cb 0.02 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 3cf9 s ALA 149 CO -0.01 -0.25 -0.16 -1.21 0.00 0.00 0.00 175.76 174.13 3cf9 s GLU 150 N -0.57 2.07 -0.07 0.00 2.02 0.56 -1.82 118.70 120.90 3cf9 s GLU 150 Ca 0.03 -0.99 -0.05 0.00 0.02 0.00 0.00 54.97 53.97 3cf9 s GLU 150 Cb -0.02 -2.22 0.02 0.00 0.10 0.00 0.00 34.13 32.01 3cf9 s GLU 150 CO -0.04 0.53 0.17 -0.51 0.02 0.00 0.00 175.26 175.43 3cf9 s LEU 151 N -1.64 1.12 -0.12 1.80 1.43 0.72 -0.96 118.68 121.03 3cf9 s LEU 151 Ca 0.16 0.34 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 3cf9 s LEU 151 Cb -0.11 0.54 0.01 0.00 0.03 0.00 0.00 46.19 46.66 3cf9 s LEU 151 CO 0.07 -0.09 -0.22 -0.75 0.23 0.00 0.00 176.35 175.59 3cf9 s LYS 152 N 0.46 2.92 0.14 1.70 2.20 -1.02 -0.27 119.74 125.87 3cf9 s LYS 152 Ca -0.03 -0.82 0.10 0.00 -0.36 0.00 0.00 55.97 54.85 3cf9 s LYS 152 Cb -0.04 -2.29 -0.04 0.00 -1.51 0.00 0.00 37.83 33.95 3cf9 s LYS 152 CO -0.02 0.07 -0.23 0.00 -0.36 0.00 0.00 175.35 174.81 3cf9 s ALA 153 N 0.61 2.16 -0.13 3.13 0.00 0.90 -1.12 121.76 127.31 3cf9 s ALA 153 Ca -0.13 -1.44 0.02 0.00 0.00 0.00 0.00 51.96 50.41 3cf9 s ALA 153 Cb -0.17 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 3cf9 s ALA 153 CO 0.03 0.40 -0.19 1.41 0.00 0.00 0.00 175.76 177.42 3cf9 s MET 154 N -2.28 3.17 -0.09 0.00 1.75 0.12 -0.86 119.30 121.11 3cf9 s MET 154 Ca 0.13 -0.80 -0.20 0.00 -1.25 0.00 0.00 55.69 53.57 3cf9 s MET 154 Cb -0.09 -2.49 -0.04 0.00 2.84 0.00 0.00 34.83 35.05 3cf9 s MET 154 CO 0.06 0.11 0.58 0.42 -0.65 0.00 0.00 175.02 175.54 3cf9 s ILE 155 N 0.56 5.11 0.18 10.11 1.01 0.05 -0.51 121.20 137.71 3cf9 s ILE 155 Ca -0.11 1.18 -0.02 0.00 0.00 0.00 0.00 60.65 61.70 3cf9 s ILE 155 Cb -0.16 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3cf9 s ILE 155 CO 0.04 0.31 0.13 0.00 0.00 0.00 0.00 174.94 175.41 3cf9 s ALA 156 N 0.61 1.00 0.19 9.38 0.00 0.42 -4.84 121.76 128.53 3cf9 s ALA 156 Ca 0.31 -1.59 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 3cf9 s ALA 156 Cb -0.16 1.22 -0.08 0.00 0.00 0.00 0.00 23.12 24.10 3cf9 s ALA 156 CO 0.14 -0.57 1.17 -1.21 0.00 0.00 0.00 175.76 175.28 3cf9 s GLU 157 N -4.12 4.52 0.16 0.00 0.41 -1.26 0.33 118.70 118.75 3cf9 s GLU 157 Ca 0.34 1.84 -0.32 0.00 -0.41 0.00 0.00 54.97 56.42 3cf9 s GLU 157 Cb 0.07 -3.24 -0.12 0.00 -1.78 0.00 0.00 34.13 29.06 3cf9 s GLU 157 CO 0.09 -0.03 1.75 -2.13 -0.49 0.00 0.00 175.26 174.45 3cf9 n ARG 158 N 2.34 2.67 0.00 1.61 3.00 0.12 -4.65 116.66 121.75 3cf9 n ARG 158 Ca 0.03 0.97 0.00 0.00 -0.00 0.00 0.00 57.85 58.85 3cf9 n ARG 158 Cb 0.45 -2.82 0.00 0.00 0.00 0.00 0.00 32.46 30.09 3cf9 n ARG 158 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78