#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cf8 s PHE 12 N 0.00 3.07 0.59 1.08 0.40 -0.59 -4.99 117.98 117.54 3cf8 s PHE 12 Ca 0.00 -0.28 0.07 0.00 -0.60 0.00 0.00 56.93 56.12 3cf8 s PHE 12 Cb 0.00 -2.03 0.09 0.00 0.51 0.00 0.00 43.02 41.59 3cf8 s PHE 12 CO 0.00 -0.07 0.82 -0.06 0.70 0.00 0.00 175.22 176.61 3cf8 s PHE 13 N 0.59 1.64 0.26 0.36 0.40 -1.26 -0.63 117.98 119.34 3cf8 s PHE 13 Ca -0.01 -0.56 -0.01 0.00 -0.60 0.00 0.00 56.93 55.75 3cf8 s PHE 13 Cb -0.14 -2.43 0.50 0.00 0.51 0.00 0.00 43.02 41.46 3cf8 s PHE 13 CO 0.02 -1.20 1.80 0.97 0.70 0.00 0.00 175.22 177.51 3cf8 h ILE 14 N 0.06 0.84 -0.80 0.64 6.09 -1.91 0.44 117.51 122.87 3cf8 h ILE 14 Ca -0.33 -0.27 0.12 0.00 -1.37 0.00 0.00 64.86 63.01 3cf8 h ILE 14 Cb 1.28 -0.02 -0.08 0.00 0.47 0.00 0.00 36.82 38.47 3cf8 h ILE 14 CO 0.41 0.14 0.40 1.05 -3.07 0.00 0.00 178.15 177.09 3cf8 h GLU 15 N 0.79 0.61 -0.17 2.19 4.11 -1.95 0.94 114.58 121.10 3cf8 h GLU 15 Ca 0.46 -0.04 -0.21 0.00 0.07 0.00 0.00 59.36 59.63 3cf8 h GLU 15 Cb 0.52 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.64 3cf8 h GLU 15 CO -0.30 0.40 -0.73 0.45 0.07 0.00 0.00 179.01 178.91 3cf8 h HIS 16 N 0.63 1.07 -0.71 2.06 3.86 -1.54 -3.10 115.15 117.42 3cf8 h HIS 16 Ca 0.41 -0.46 0.05 0.00 -1.16 0.00 0.00 60.37 59.22 3cf8 h HIS 16 Cb 0.52 -0.17 -0.05 0.00 1.06 0.00 0.00 27.41 28.76 3cf8 h HIS 16 CO -0.10 1.29 0.41 0.82 0.86 0.00 0.00 177.93 181.21 3cf8 h ILE 17 N 0.54 1.00 0.00 2.45 2.04 -0.40 -2.31 117.51 120.84 3cf8 h ILE 17 Ca -0.04 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.52 3cf8 h ILE 17 Cb 1.36 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 3cf8 h ILE 17 CO 0.15 0.14 -0.15 -0.07 0.00 0.00 0.00 178.15 178.22 3cf8 h LEU 18 N 0.77 0.00 -0.20 1.44 3.38 -0.86 -0.54 115.31 119.29 3cf8 h LEU 18 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3cf8 h LEU 18 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3cf8 h LEU 18 CO -0.17 0.15 0.00 1.56 0.09 0.00 0.00 178.44 180.08 3cf8 h GLN 19 N 0.00 0.00 0.00 1.13 4.20 -1.34 -3.40 115.11 115.70 3cf8 h GLN 19 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 3cf8 h GLN 19 Cb 0.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3cf8 h GLN 19 CO 0.02 0.00 -0.93 -0.89 -0.67 0.00 0.00 178.83 176.36 3cf8 n ILE 20 N -2.92 1.37 -2.52 2.54 2.08 -0.89 -4.36 119.36 114.66 3cf8 n ILE 20 Ca 0.04 0.14 -0.40 0.00 0.56 0.00 0.00 62.75 63.09 3cf8 n ILE 20 Cb 0.47 -2.07 -0.05 0.00 -0.75 0.00 0.00 39.64 37.25 3cf8 n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3cf8 s LEU 21 N -7.54 4.56 0.27 1.39 1.43 -0.26 -4.74 118.68 113.78 3cf8 s LEU 21 Ca -0.22 2.21 0.25 0.00 -1.03 0.00 0.00 54.13 55.35 3cf8 s LEU 21 Cb 0.04 -3.64 0.71 0.00 0.03 0.00 0.00 46.19 43.32 3cf8 s LEU 21 CO 0.31 -0.10 1.74 1.55 0.23 0.00 0.00 176.35 180.07 3cf8 h PRO 22 N 3.83 0.00 -6.97 1.29 0.13 -1.88 -3.43 132.00 124.96 3cf8 h PRO 22 Ca -0.46 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 3cf8 h PRO 22 Cb 1.21 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.44 3cf8 h PRO 22 CO 0.67 0.00 0.64 -1.01 -0.23 0.00 0.00 178.00 178.06 3cf8 s HIS 23 N -3.13 2.66 0.35 1.56 3.76 -1.26 -5.04 115.29 114.18 3cf8 s HIS 23 Ca 0.10 1.36 0.04 0.00 -0.15 0.00 0.00 55.06 56.41 3cf8 s HIS 23 Cb 0.11 -3.75 -0.01 0.00 1.11 0.00 0.00 32.58 30.03 3cf8 s HIS 23 CO 0.61 -2.41 0.14 0.54 -0.85 0.00 0.00 174.74 172.77 3cf8 n ARG 24 N -0.11 0.59 -1.78 1.40 5.12 -1.26 -4.67 116.66 115.95 3cf8 n ARG 24 Ca 0.05 -3.02 -0.42 0.00 -1.93 0.00 0.00 57.85 52.53 3cf8 n ARG 24 Cb 0.43 1.74 -0.02 0.00 -1.16 0.00 0.00 32.46 33.45 3cf8 n ARG 24 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 3cf8 s TYR 25 N -2.93 2.80 -0.66 -1.55 6.14 -1.26 0.76 117.35 120.65 3cf8 s TYR 25 Ca 0.20 0.70 -0.02 0.00 0.64 0.00 0.00 57.07 58.60 3cf8 s TYR 25 Cb 0.01 -4.07 0.46 0.00 0.42 0.00 0.00 41.96 38.78 3cf8 s TYR 25 CO 0.14 -3.69 2.03 -0.35 0.64 0.00 0.00 175.55 174.33 3cf8 n PRO 26 N 2.59 2.67 -0.12 4.97 -0.04 -1.26 -4.93 135.00 138.87 3cf8 n PRO 26 Ca 0.10 -3.27 0.04 0.00 -0.04 0.00 0.00 63.50 60.32 3cf8 n PRO 26 Cb 0.37 -2.28 0.05 0.00 -0.04 0.00 0.00 33.50 31.60 3cf8 n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3cf8 n MET 27 N -0.93 1.37 -3.33 0.54 2.81 0.23 -4.94 117.12 112.87 3cf8 n MET 27 Ca 0.63 -1.69 -0.44 0.00 -1.81 0.00 0.00 57.70 54.39 3cf8 n MET 27 Cb 0.71 -1.03 -0.08 0.00 -0.71 0.00 0.00 33.22 32.11 3cf8 n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3cf8 s LEU 28 N -1.40 5.25 -0.23 4.03 2.96 -0.71 -4.59 118.68 123.99 3cf8 s LEU 28 Ca 0.12 -1.04 0.10 0.00 -0.22 0.00 0.00 54.13 53.10 3cf8 s LEU 28 Cb 0.11 -2.29 0.44 0.00 0.50 0.00 0.00 46.19 44.95 3cf8 s LEU 28 CO 0.01 -0.67 1.28 0.18 -1.32 0.00 0.00 176.35 175.84 3cf8 n LEU 29 N 5.51 3.08 -3.97 -0.68 4.77 -1.26 -4.90 117.00 119.55 3cf8 n LEU 29 Ca -0.10 -3.87 -0.22 0.00 -0.03 0.00 0.00 56.01 51.79 3cf8 n LEU 29 Cb 0.45 -0.56 -0.16 0.00 -2.33 0.00 0.00 43.42 40.82 3cf8 n LEU 29 CO 0.48 1.37 -0.44 -0.69 -1.33 0.00 0.00 177.39 176.77 3cf8 s VAL 30 N -3.24 0.85 -0.19 4.08 1.01 -1.26 -4.59 120.40 117.07 3cf8 s VAL 30 Ca 0.40 -0.32 0.16 0.00 0.00 0.00 0.00 61.98 62.22 3cf8 s VAL 30 Cb 0.38 -0.81 -0.23 0.00 0.00 0.00 0.00 36.38 35.72 3cf8 s VAL 30 CO -0.05 0.29 0.05 0.47 0.00 0.00 0.00 175.10 175.86 3cf8 n ASP 31 N 3.88 0.38 -3.65 3.32 10.43 -0.11 -4.96 116.55 125.85 3cf8 n ASP 31 Ca -0.24 -0.01 -0.15 0.00 2.57 0.00 0.00 54.79 56.97 3cf8 n ASP 31 Cb 0.51 0.90 -0.08 0.00 1.84 0.00 0.00 41.12 44.30 3cf8 n ASP 31 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3cf8 s ARG 32 N -2.46 0.77 -0.29 -1.24 3.52 -1.05 -3.10 118.95 115.10 3cf8 s ARG 32 Ca -0.11 0.62 -0.09 0.00 -0.13 0.00 0.00 55.73 56.03 3cf8 s ARG 32 Cb 0.06 0.37 -0.02 0.00 -1.56 0.00 0.00 34.95 33.80 3cf8 s ARG 32 CO 0.77 -0.14 0.13 0.42 -0.81 0.00 0.00 175.30 175.66 3cf8 s ILE 33 N -0.15 4.53 -0.11 4.11 -1.09 0.19 -1.34 121.20 127.36 3cf8 s ILE 33 Ca -0.04 -0.32 0.05 0.00 -2.23 0.00 0.00 60.65 58.12 3cf8 s ILE 33 Cb -0.03 -3.24 -0.24 0.00 -1.58 0.00 0.00 42.46 37.36 3cf8 s ILE 33 CO 0.03 0.16 0.40 0.35 -1.23 0.00 0.00 174.94 174.66 3cf8 n THR 34 N 4.96 1.64 -4.09 2.92 -2.24 -0.28 -1.54 114.28 115.65 3cf8 n THR 34 Ca -0.15 -0.73 -0.17 0.00 -2.27 0.00 0.00 64.05 60.73 3cf8 n THR 34 Cb 0.50 -1.25 -0.15 0.00 -2.10 0.00 0.00 70.33 67.32 3cf8 n THR 34 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3cf8 s GLU 35 N -2.56 0.48 -0.05 -0.78 2.02 -0.67 -4.63 118.70 112.50 3cf8 s GLU 35 Ca -0.14 -0.09 -0.00 0.00 0.02 0.00 0.00 54.97 54.75 3cf8 s GLU 35 Cb 0.07 -0.52 0.03 0.00 0.10 0.00 0.00 34.13 33.81 3cf8 s GLU 35 CO 0.78 -0.01 -0.00 -1.17 0.02 0.00 0.00 175.26 174.88 3cf8 s LEU 36 N 0.45 0.89 -0.27 1.80 2.96 -1.26 -1.37 118.68 121.89 3cf8 s LEU 36 Ca -0.05 -0.06 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3cf8 s LEU 36 Cb -0.08 -0.35 0.08 0.00 0.50 0.00 0.00 46.19 46.34 3cf8 s LEU 36 CO -0.00 -0.14 0.06 -1.10 -1.32 0.00 0.00 176.35 173.84 3cf8 s GLN 37 N 1.46 0.84 0.09 1.98 -0.21 -0.26 -5.02 119.66 118.54 3cf8 s GLN 37 Ca -0.03 -0.89 -0.36 0.00 0.02 0.00 0.00 55.36 54.09 3cf8 s GLN 37 Cb -0.13 -2.14 -0.16 0.00 1.00 0.00 0.00 33.01 31.58 3cf8 s GLN 37 CO -0.03 -0.83 1.41 0.00 -2.12 0.00 0.00 175.29 173.72 3cf8 n ALA 38 N 4.87 -0.45 -1.06 6.09 0.00 -1.26 -1.10 120.51 127.59 3cf8 n ALA 38 Ca -0.05 0.50 -0.02 0.00 0.00 0.00 0.00 53.44 53.86 3cf8 n ALA 38 Cb 0.44 -2.14 -0.01 0.00 0.00 0.00 0.00 19.45 17.74 3cf8 n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3cf8 n ASN 39 N 2.84 -4.94 0.01 0.00 5.03 -1.26 -4.78 115.26 112.16 3cf8 n ASN 39 Ca 0.18 0.05 0.00 0.00 0.87 0.00 0.00 54.58 55.69 3cf8 n ASN 39 Cb 0.21 -2.62 0.00 0.00 -1.02 0.00 0.00 39.78 36.35 3cf8 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3cf8 n GLN 40 N -0.69 0.00 -3.63 3.52 6.02 -0.26 -4.74 117.38 117.60 3cf8 n GLN 40 Ca -0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.87 3cf8 n GLN 40 Cb 0.35 -0.05 -0.02 0.00 1.02 0.00 0.00 30.24 31.54 3cf8 n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3cf8 s LYS 41 N -1.16 1.45 -0.03 -1.09 -2.85 -0.66 -1.19 119.74 114.21 3cf8 s LYS 41 Ca 0.00 -0.72 -0.03 0.00 -1.00 0.00 0.00 55.97 54.22 3cf8 s LYS 41 Cb 0.00 0.58 0.01 0.00 -2.06 0.00 0.00 37.83 36.36 3cf8 s LYS 41 CO 0.00 -0.64 0.09 -1.50 0.10 0.00 0.00 175.35 173.40 3cf8 s ILE 42 N -3.83 -0.00 -0.13 3.79 2.07 0.56 -1.10 121.20 122.56 3cf8 s ILE 42 Ca 0.06 0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.34 3cf8 s ILE 42 Cb -0.02 -0.13 0.01 0.00 0.13 0.00 0.00 42.46 42.44 3cf8 s ILE 42 CO -0.05 0.01 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.09 3cf8 s VAL 43 N 0.13 1.96 0.28 4.00 1.01 -0.47 -1.36 120.40 125.95 3cf8 s VAL 43 Ca -0.01 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 3cf8 s VAL 43 Cb -0.01 -1.74 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 3cf8 s VAL 43 CO -0.00 0.53 0.30 0.00 0.00 0.00 0.00 175.10 175.93 3cf8 s ALA 44 N 0.75 1.13 0.15 5.51 0.00 -0.26 -1.12 121.76 127.93 3cf8 s ALA 44 Ca -0.09 -1.68 -0.15 0.00 0.00 0.00 0.00 51.96 50.03 3cf8 s ALA 44 Cb -0.16 1.33 0.03 0.00 0.00 0.00 0.00 23.12 24.31 3cf8 s ALA 44 CO 0.00 -0.69 0.42 1.52 0.00 0.00 0.00 175.76 177.01 3cf8 s TYR 45 N -3.65 -0.09 -0.05 0.00 1.13 -0.45 0.62 117.35 114.87 3cf8 s TYR 45 Ca 0.36 -0.25 0.03 0.00 -1.41 0.00 0.00 57.07 55.80 3cf8 s TYR 45 Cb 0.03 0.26 0.01 0.00 -1.10 0.00 0.00 41.96 41.15 3cf8 s TYR 45 CO 0.19 -0.77 -0.12 0.21 -2.51 0.00 0.00 175.55 172.54 3cf8 s LYS 46 N -3.85 1.53 0.31 -3.49 2.20 0.44 -0.93 119.74 115.95 3cf8 s LYS 46 Ca 0.07 -0.42 -0.28 0.00 -0.36 0.00 0.00 55.97 54.97 3cf8 s LYS 46 Cb 0.01 -1.31 -0.09 0.00 -1.51 0.00 0.00 37.83 34.93 3cf8 s LYS 46 CO -0.07 0.09 1.09 -0.80 -0.36 0.00 0.00 175.35 175.30 3cf8 s ASN 47 N 0.43 7.14 -0.22 1.43 0.01 -1.26 -0.12 114.94 122.35 3cf8 s ASN 47 Ca -0.10 2.22 -0.04 0.00 -0.71 0.00 0.00 52.86 54.23 3cf8 s ASN 47 Cb -0.13 -2.62 -0.01 0.00 0.41 0.00 0.00 41.25 38.90 3cf8 s ASN 47 CO 0.03 -0.23 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.73 3cf8 s ILE 48 N -1.27 3.56 0.18 0.60 -1.09 0.49 -4.89 121.20 118.77 3cf8 s ILE 48 Ca 0.48 -0.43 0.08 0.00 -2.23 0.00 0.00 60.65 58.54 3cf8 s ILE 48 Cb -0.30 -2.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 3cf8 s ILE 48 CO 0.38 0.42 -0.15 0.28 -1.23 0.00 0.00 174.94 174.63 3cf8 s THR 49 N 1.37 1.70 0.41 2.92 -1.32 -1.26 0.32 115.64 119.78 3cf8 s THR 49 Ca 0.04 -2.06 0.13 0.00 -1.21 0.00 0.00 61.69 58.59 3cf8 s THR 49 Cb -0.14 -1.91 0.15 0.00 -1.51 0.00 0.00 72.50 69.08 3cf8 s THR 49 CO -0.01 -0.49 1.93 0.15 -2.21 0.00 0.00 174.62 173.99 3cf8 h PHE 50 N 2.89 0.07 0.00 9.09 3.57 -1.95 -3.32 116.94 127.29 3cf8 h PHE 50 Ca -0.39 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.10 3cf8 h PHE 50 Cb 1.21 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.93 3cf8 h PHE 50 CO 0.70 0.28 0.00 -1.71 -2.23 0.00 0.00 178.31 175.35 3cf8 n ASN 51 N -4.25 2.98 -4.28 0.41 4.05 -1.26 -4.75 115.26 108.16 3cf8 n ASN 51 Ca -0.02 -1.76 -0.31 0.00 0.45 0.00 0.00 54.58 52.94 3cf8 n ASN 51 Cb 0.29 -0.62 -0.16 0.00 1.23 0.00 0.00 39.78 40.52 3cf8 n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3cf8 s GLU 52 N 0.79 2.44 0.37 1.20 2.02 -1.25 -5.05 118.70 119.23 3cf8 s GLU 52 Ca 0.00 -0.91 0.07 0.00 0.02 0.00 0.00 54.97 54.15 3cf8 s GLU 52 Cb 0.00 -2.13 0.79 0.00 0.10 0.00 0.00 34.13 32.89 3cf8 s GLU 52 CO 0.00 0.42 1.96 0.22 0.02 0.00 0.00 175.26 177.89 3cf8 h ASP 53 N 5.93 0.61 -0.83 -0.19 3.58 -1.95 -2.68 116.42 120.89 3cf8 h ASP 53 Ca -0.34 0.00 0.20 0.00 0.42 0.00 0.00 57.03 57.31 3cf8 h ASP 53 Cb 1.16 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 42.04 3cf8 h ASP 53 CO 0.47 0.39 0.56 -0.37 -2.88 0.00 0.00 179.24 177.42 3cf8 h VAL 54 N 0.70 0.67 0.00 2.25 -1.51 -1.96 -2.12 116.25 114.28 3cf8 h VAL 54 Ca 0.30 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 65.68 3cf8 h VAL 54 Cb 0.29 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 29.84 3cf8 h VAL 54 CO -0.10 0.05 0.00 -0.26 -1.23 0.00 0.00 177.57 176.03 3cf8 h PHE 55 N 0.26 0.00 -0.38 5.19 -1.00 -1.76 -2.05 116.94 117.20 3cf8 h PHE 55 Ca 0.41 0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.20 3cf8 h PHE 55 Cb 1.23 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.77 3cf8 h PHE 55 CO -0.00 0.00 0.25 -0.91 -1.61 0.00 0.00 178.31 176.04 3cf8 h ASN 56 N 0.00 0.42 -0.04 2.17 2.35 -1.57 -3.23 115.58 115.68 3cf8 h ASN 56 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3cf8 h ASN 56 Cb 0.42 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3cf8 h ASN 56 CO 0.00 0.30 0.00 0.61 -1.65 0.00 0.00 177.43 176.69 3cf8 n GLY 57 N -1.48 -0.20 2.33 2.83 0.00 -0.82 -4.11 105.19 103.73 3cf8 n GLY 57 Ca 0.03 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 3cf8 n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3cf8 n HIS 58 N 0.39 -1.05 -4.44 1.61 -0.00 -0.89 -4.57 115.22 106.27 3cf8 n HIS 58 Ca 0.05 -3.16 -0.22 0.00 -0.00 0.00 0.00 57.72 54.38 3cf8 n HIS 58 Cb 0.22 0.11 -0.10 0.00 -0.00 0.00 0.00 29.99 30.22 3cf8 n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3cf8 s PHE 59 N -0.60 2.06 0.24 1.57 0.40 0.12 -1.24 117.98 120.52 3cf8 s PHE 59 Ca 0.34 -0.57 -0.31 0.00 -0.60 0.00 0.00 56.93 55.79 3cf8 s PHE 59 Cb 0.15 -1.09 -0.13 0.00 0.51 0.00 0.00 43.02 42.46 3cf8 s PHE 59 CO -0.14 0.44 1.43 -2.30 0.70 0.00 0.00 175.22 175.34 3cf8 n PRO 60 N -0.60 2.09 -0.66 0.24 -0.02 -1.26 -1.72 135.00 133.08 3cf8 n PRO 60 Ca -0.06 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3cf8 n PRO 60 Cb 0.62 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 3cf8 n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3cf8 n ASN 61 N 2.19 -0.78 -3.30 2.55 4.13 -1.26 -4.86 115.26 113.93 3cf8 n ASN 61 Ca 0.11 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.20 3cf8 n ASN 61 Cb 0.32 -2.14 -0.07 0.00 -1.54 0.00 0.00 39.78 36.35 3cf8 n ASN 61 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 3cf8 s LYS 62 N -0.92 0.74 -0.21 3.52 2.47 -0.70 -5.13 119.74 119.51 3cf8 s LYS 62 Ca 0.00 -1.13 -0.29 0.00 -1.56 0.00 0.00 55.97 52.99 3cf8 s LYS 62 Cb 0.00 -0.79 -0.03 0.00 -1.46 0.00 0.00 37.83 35.56 3cf8 s LYS 62 CO 0.00 -1.25 1.65 -2.14 0.16 0.00 0.00 175.35 173.77 3cf8 s PRO 63 N 1.10 3.79 -0.09 4.03 0.02 -1.24 0.11 135.00 142.73 3cf8 s PRO 63 Ca 0.21 1.71 -0.02 0.00 0.02 0.00 0.00 61.00 62.93 3cf8 s PRO 63 Cb -0.11 -4.05 0.03 0.00 0.02 0.00 0.00 34.50 30.40 3cf8 s PRO 63 CO -0.05 -1.30 0.02 0.42 -0.33 0.00 0.00 177.00 175.75 3cf8 s ILE 64 N 5.25 0.31 0.04 2.83 1.01 -0.38 -4.61 121.20 125.67 3cf8 s ILE 64 Ca 0.73 0.07 -0.30 0.00 0.00 0.00 0.00 60.65 61.14 3cf8 s ILE 64 Cb -0.26 -0.55 -0.08 0.00 0.01 0.00 0.00 42.46 41.59 3cf8 s ILE 64 CO 0.30 0.17 1.62 0.12 0.00 0.00 0.00 174.94 177.15 3cf8 s PHE 65 N 1.99 2.40 0.17 3.97 5.36 0.10 -4.56 117.98 127.42 3cf8 s PHE 65 Ca 0.04 0.36 -0.33 0.00 -0.96 0.00 0.00 56.93 56.03 3cf8 s PHE 65 Cb -0.13 -3.92 -0.13 0.00 -0.34 0.00 0.00 43.02 38.49 3cf8 s PHE 65 CO -0.05 -3.70 1.61 -2.30 -1.46 0.00 0.00 175.22 169.32 3cf8 n PRO 66 N 5.80 2.30 -0.33 10.12 -0.02 -1.26 -4.55 135.00 147.05 3cf8 n PRO 66 Ca 0.16 0.83 0.11 0.00 -2.02 0.00 0.00 63.50 62.57 3cf8 n PRO 66 Cb 0.41 -2.62 0.29 0.00 -0.02 0.00 0.00 33.50 31.56 3cf8 n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3cf8 h GLY 67 N 6.13 1.63 2.00 -1.23 0.00 -1.98 -0.44 103.07 109.18 3cf8 h GLY 67 Ca -0.44 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 46.55 3cf8 h GLY 67 CO 0.90 -0.07 -0.11 -0.39 0.00 0.00 0.00 176.54 176.88 3cf8 h VAL 68 N 0.69 0.49 0.00 4.60 -1.51 -2.00 -2.38 116.25 116.14 3cf8 h VAL 68 Ca 0.54 -0.52 -0.14 0.00 -1.23 0.00 0.00 66.70 65.35 3cf8 h VAL 68 Cb 0.82 1.35 -0.02 0.00 -2.13 0.00 0.00 31.29 31.31 3cf8 h VAL 68 CO -0.39 0.10 -1.06 -0.07 -1.23 0.00 0.00 177.57 174.92 3cf8 h LEU 69 N 0.00 0.00 -0.08 4.19 3.38 -1.47 -1.54 115.31 119.80 3cf8 h LEU 69 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3cf8 h LEU 69 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3cf8 h LEU 69 CO 0.01 0.53 0.03 0.40 0.09 0.00 0.00 178.44 179.51 3cf8 h ILE 70 N 0.00 0.99 -0.63 1.22 2.04 -0.92 -1.13 117.51 119.08 3cf8 h ILE 70 Ca -0.10 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.74 3cf8 h ILE 70 Cb 1.49 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 3cf8 h ILE 70 CO 0.05 0.01 0.40 0.58 0.00 0.00 0.00 178.15 179.19 3cf8 h VAL 71 N 0.08 1.18 -0.44 1.67 2.07 -1.41 -1.87 116.25 117.53 3cf8 h VAL 71 Ca 0.03 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.21 3cf8 h VAL 71 Cb 0.01 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 3cf8 h VAL 71 CO -0.03 0.18 0.26 -0.08 0.02 0.00 0.00 177.57 177.92 3cf8 h GLU 72 N 0.86 0.50 -0.58 1.57 4.57 -1.22 -0.70 114.58 119.57 3cf8 h GLU 72 Ca 0.23 -0.03 0.05 0.00 -1.18 0.00 0.00 59.36 58.43 3cf8 h GLU 72 Cb -0.06 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.39 3cf8 h GLU 72 CO -0.05 0.33 0.39 0.78 -1.18 0.00 0.00 179.01 179.28 3cf8 h GLY 73 N 0.52 0.73 1.22 1.92 0.00 -0.85 0.34 103.07 106.95 3cf8 h GLY 73 Ca 0.18 -0.24 -0.20 0.00 0.00 0.00 0.00 47.33 47.06 3cf8 h GLY 73 CO -0.08 0.20 -0.65 -0.33 0.00 0.00 0.00 176.54 175.68 3cf8 h MET 74 N 0.61 0.79 -0.66 4.80 2.86 -0.82 -2.15 114.93 120.37 3cf8 h MET 74 Ca 0.24 -0.56 -0.04 0.00 -2.06 0.00 0.00 59.70 57.28 3cf8 h MET 74 Cb 0.19 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 3cf8 h MET 74 CO -0.07 1.18 0.25 0.00 1.06 0.00 0.00 176.91 179.34 3cf8 h ALA 75 N 0.68 0.85 -0.53 6.32 0.00 -0.47 -0.50 119.26 125.61 3cf8 h ALA 75 Ca -0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3cf8 h ALA 75 Cb 1.26 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3cf8 h ALA 75 CO 0.14 0.48 0.06 1.96 0.00 0.00 0.00 179.25 181.89 3cf8 h GLN 76 N 0.93 0.89 -0.42 0.00 4.20 -0.98 0.32 115.11 120.05 3cf8 h GLN 76 Ca 0.22 -0.25 0.04 0.00 0.06 0.00 0.00 58.65 58.71 3cf8 h GLN 76 Cb 0.23 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 3cf8 h GLN 76 CO -0.02 0.89 0.20 0.77 -0.67 0.00 0.00 178.83 180.00 3cf8 h SER 77 N 0.77 0.28 -0.00 1.46 0.02 -1.21 0.11 113.55 114.97 3cf8 h SER 77 Ca 0.16 0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 3cf8 h SER 77 Cb 0.45 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 3cf8 h SER 77 CO 0.02 0.20 -0.20 1.23 -1.14 0.00 0.00 176.83 176.93 3cf8 h GLY 78 N 0.40 0.39 0.96 -3.77 0.00 -0.87 -2.26 103.07 97.91 3cf8 h GLY 78 Ca 0.18 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.23 3cf8 h GLY 78 CO -0.14 0.26 0.00 -1.33 0.00 0.00 0.00 176.54 175.34 3cf8 h GLY 79 N 0.94 0.01 0.59 4.60 0.00 0.18 -0.41 103.07 108.99 3cf8 h GLY 79 Ca 0.06 -0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.47 3cf8 h GLY 79 CO 0.04 0.00 0.49 -2.75 0.00 0.00 0.00 176.54 174.32 3cf8 h PHE 80 N -0.03 0.90 -0.47 5.60 3.57 -0.75 0.71 116.94 126.46 3cf8 h PHE 80 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 3cf8 h PHE 80 Cb 0.04 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 3cf8 h PHE 80 CO -0.06 0.40 0.28 1.25 -2.23 0.00 0.00 178.31 177.95 3cf8 h LEU 81 N 0.85 0.57 0.46 0.59 5.85 -1.26 -2.51 115.31 119.86 3cf8 h LEU 81 Ca 0.39 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.02 3cf8 h LEU 81 Cb 0.30 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3cf8 h LEU 81 CO -0.22 0.47 -0.22 0.00 -0.34 0.00 0.00 178.44 178.13 3cf8 h ALA 82 N 1.13 -0.62 -0.44 1.25 0.00 0.06 -1.23 119.26 119.42 3cf8 h ALA 82 Ca 0.17 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3cf8 h ALA 82 Cb 0.01 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 3cf8 h ALA 82 CO -0.03 -0.85 -0.17 0.74 0.00 0.00 0.00 179.25 178.94 3cf8 h PHE 83 N -0.62 -0.41 -0.02 0.00 0.04 -0.91 -1.39 116.94 113.63 3cf8 h PHE 83 Ca -0.06 0.04 -0.22 0.00 2.80 0.00 0.00 57.97 60.54 3cf8 h PHE 83 Cb 0.48 0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.88 3cf8 h PHE 83 CO -0.05 -0.25 -0.89 1.79 -0.60 0.00 0.00 178.31 178.31 3cf8 h THR 84 N -0.08 1.39 -0.66 -1.55 1.35 -1.42 -0.85 112.91 111.09 3cf8 h THR 84 Ca 0.21 -2.35 -0.04 0.00 -0.55 0.00 0.00 66.41 63.68 3cf8 h THR 84 Cb 0.40 2.33 -0.03 0.00 -1.73 0.00 0.00 68.15 69.12 3cf8 h THR 84 CO -0.49 0.71 0.27 0.28 -0.25 0.00 0.00 175.52 176.03 3cf8 h SER 85 N 0.26 0.88 0.47 5.36 0.02 -1.08 0.48 113.55 119.93 3cf8 h SER 85 Ca -0.07 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3cf8 h SER 85 Cb 1.51 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3cf8 h SER 85 CO 0.16 0.79 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.34 3cf8 h LEU 86 N 0.95 -0.53 -2.13 5.07 4.07 -1.11 -3.41 115.31 118.21 3cf8 h LEU 86 Ca 0.22 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.20 3cf8 h LEU 86 Cb 0.18 0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.06 3cf8 h LEU 86 CO -0.02 -0.19 0.00 0.79 -1.08 0.00 0.00 178.44 177.94 3cf8 n TRP 87 N -4.73 0.04 -4.46 1.13 8.01 -0.34 -5.11 117.44 111.97 3cf8 n TRP 87 Ca -0.08 -0.28 0.00 0.00 -1.31 0.00 0.00 57.50 55.83 3cf8 n TRP 87 Cb 0.25 -0.03 0.00 0.00 -2.01 0.00 0.00 31.31 29.52 3cf8 n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3cf8 n GLY 88 N -0.16 -1.15 3.56 6.99 0.00 0.17 -4.27 105.19 110.33 3cf8 n GLY 88 Ca 0.01 -1.18 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 3cf8 n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3cf8 s PHE 89 N 0.00 2.38 -0.42 1.61 5.36 -1.26 -4.20 117.98 121.44 3cf8 s PHE 89 Ca 0.00 -0.51 0.02 0.00 -0.96 0.00 0.00 56.93 55.48 3cf8 s PHE 89 Cb 0.00 -4.58 0.13 0.00 -0.34 0.00 0.00 43.02 38.24 3cf8 s PHE 89 CO 0.00 -1.93 0.22 0.34 -1.46 0.00 0.00 175.22 172.40 3cf8 s ASP 90 N 5.42 3.59 0.50 6.13 -1.08 -1.26 -4.98 116.67 124.98 3cf8 s ASP 90 Ca 0.49 -2.50 0.17 0.00 -0.52 0.00 0.00 52.55 50.19 3cf8 s ASP 90 Cb -0.02 -0.94 1.21 0.00 -1.46 0.00 0.00 42.92 41.71 3cf8 s ASP 90 CO -0.06 -0.28 2.08 -0.65 0.52 0.00 0.00 175.17 176.78 3cf8 h PRO 91 N 6.86 0.12 0.06 4.34 0.11 -1.90 -2.14 132.00 139.46 3cf8 h PRO 91 Ca -0.01 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 3cf8 h PRO 91 Cb 0.94 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3cf8 h PRO 91 CO 0.45 0.08 -0.03 1.49 -0.21 0.00 0.00 178.00 179.78 3cf8 h GLU 92 N 0.13 -0.08 -0.15 1.05 4.81 -1.94 -2.15 114.58 116.26 3cf8 h GLU 92 Ca 0.11 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3cf8 h GLU 92 Cb 0.28 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 3cf8 h GLU 92 CO -0.01 0.08 -0.02 0.82 -0.73 0.00 0.00 179.01 179.15 3cf8 h ILE 93 N -0.23 1.27 -1.00 2.32 2.04 -1.95 -3.28 117.51 116.68 3cf8 h ILE 93 Ca -0.01 -0.90 0.16 0.00 1.00 0.00 0.00 64.86 65.11 3cf8 h ILE 93 Cb 0.20 1.58 -0.10 0.00 -0.74 0.00 0.00 36.82 37.76 3cf8 h ILE 93 CO 0.01 0.27 0.61 0.00 0.00 0.00 0.00 178.15 179.04 3cf8 h ALA 94 N 0.74 1.60 0.00 1.87 0.00 -1.36 -2.34 119.26 119.77 3cf8 h ALA 94 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3cf8 h ALA 94 Cb 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3cf8 h ALA 94 CO 0.01 0.04 0.00 1.57 0.00 0.00 0.00 179.25 180.87 3cf8 h LYS 95 N 0.84 0.00 0.00 0.00 2.10 -1.45 -1.52 116.57 116.55 3cf8 h LYS 95 Ca 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 3cf8 h LYS 95 Cb 0.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 3cf8 h LYS 95 CO -0.34 0.00 -0.69 0.25 -2.00 0.00 0.00 179.45 176.67 3cf8 n THR 96 N -2.69 0.10 -4.01 0.07 -2.24 -0.88 -4.96 114.28 99.67 3cf8 n THR 96 Ca -0.01 -0.10 -0.23 0.00 -2.27 0.00 0.00 64.05 61.44 3cf8 n THR 96 Cb 0.12 0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 3cf8 n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3cf8 s LYS 97 N -3.07 3.27 0.34 -0.78 -0.14 -0.57 -4.51 119.74 114.28 3cf8 s LYS 97 Ca 0.08 -0.79 0.03 0.00 -1.36 0.00 0.00 55.97 53.94 3cf8 s LYS 97 Cb 0.16 -2.82 -0.04 0.00 -1.68 0.00 0.00 37.83 33.46 3cf8 s LYS 97 CO 0.74 0.45 0.13 0.96 -0.76 0.00 0.00 175.35 176.88 3cf8 s ILE 98 N -1.92 0.56 -0.06 2.17 -4.36 0.12 -4.71 121.20 113.00 3cf8 s ILE 98 Ca 0.34 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.76 3cf8 s ILE 98 Cb -0.09 -2.51 0.00 0.00 1.25 0.00 0.00 42.46 41.11 3cf8 s ILE 98 CO 0.27 0.00 -0.17 -0.69 0.24 0.00 0.00 174.94 174.59 3cf8 s VAL 99 N -3.43 1.49 -0.11 8.37 1.01 -1.26 -1.48 120.40 124.99 3cf8 s VAL 99 Ca 0.32 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 3cf8 s VAL 99 Cb 0.05 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 3cf8 s VAL 99 CO 0.16 0.43 -0.08 -0.31 0.00 0.00 0.00 175.10 175.31 3cf8 s TYR 100 N 0.27 2.93 0.16 5.22 1.51 0.10 -4.98 117.35 122.55 3cf8 s TYR 100 Ca -0.10 -0.24 -0.31 0.00 -1.01 0.00 0.00 57.07 55.42 3cf8 s TYR 100 Cb -0.14 -1.82 -0.08 0.00 -0.11 0.00 0.00 41.96 39.81 3cf8 s TYR 100 CO 0.04 0.08 1.36 -0.06 -1.11 0.00 0.00 175.55 175.86 3cf8 s PHE 101 N -0.16 3.24 -0.17 2.71 0.40 -1.26 -0.62 117.98 122.11 3cf8 s PHE 101 Ca 0.02 1.06 -0.11 0.00 -0.60 0.00 0.00 56.93 57.30 3cf8 s PHE 101 Cb -0.13 -3.66 -0.07 0.00 0.51 0.00 0.00 43.02 39.67 3cf8 s PHE 101 CO 0.03 -2.21 -0.26 -1.33 0.70 0.00 0.00 175.22 172.16 3cf8 n MET 102 N 3.34 0.41 -4.03 0.44 2.81 0.33 -4.90 117.12 115.52 3cf8 n MET 102 Ca 0.09 0.18 -0.09 0.00 -1.81 0.00 0.00 57.70 56.07 3cf8 n MET 102 Cb 0.42 -1.20 -0.11 0.00 -0.71 0.00 0.00 33.22 31.63 3cf8 n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3cf8 s THR 103 N -2.45 0.21 -0.02 2.03 -4.23 -1.02 -4.98 115.64 105.18 3cf8 s THR 103 Ca -0.26 -1.26 0.02 0.00 -1.18 0.00 0.00 61.69 59.00 3cf8 s THR 103 Cb 0.09 -0.76 0.00 0.00 1.34 0.00 0.00 72.50 73.17 3cf8 s THR 103 CO 0.34 -0.67 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.06 3cf8 s ILE 104 N -2.35 0.55 0.02 2.99 1.01 -1.26 -1.67 121.20 120.50 3cf8 s ILE 104 Ca -0.07 -0.24 -0.19 0.00 0.00 0.00 0.00 60.65 60.15 3cf8 s ILE 104 Cb -0.03 -0.51 0.04 0.00 0.01 0.00 0.00 42.46 41.97 3cf8 s ILE 104 CO -0.04 0.18 0.44 -0.62 0.00 0.00 0.00 174.94 174.90 3cf8 s ASP 105 N 0.22 -0.33 -1.39 3.58 2.15 -0.04 -4.98 116.67 115.89 3cf8 s ASP 105 Ca -0.03 0.12 -0.09 0.00 0.43 0.00 0.00 52.55 52.99 3cf8 s ASP 105 Cb -0.07 0.42 0.03 0.00 -0.30 0.00 0.00 42.92 43.00 3cf8 s ASP 105 CO -0.00 -0.62 1.06 0.29 -0.17 0.00 0.00 175.17 175.73 3cf8 n LYS 106 N 0.69 -6.81 -3.42 4.34 5.02 -1.26 -1.08 118.16 115.63 3cf8 n LYS 106 Ca -0.19 0.74 -0.38 0.00 -2.02 0.00 0.00 58.31 56.46 3cf8 n LYS 106 Cb 0.59 -5.70 -0.06 0.00 -0.02 0.00 0.00 35.03 29.83 3cf8 n LYS 106 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3cf8 s VAL 107 N -3.35 5.06 -0.03 -0.18 -7.23 -1.26 -3.96 120.40 109.46 3cf8 s VAL 107 Ca 0.49 0.89 0.01 0.00 -1.81 0.00 0.00 61.98 61.55 3cf8 s VAL 107 Cb -0.23 -3.76 0.02 0.00 0.56 0.00 0.00 36.38 32.98 3cf8 s VAL 107 CO 0.77 0.49 -0.01 -0.54 -0.31 0.00 0.00 175.10 175.50 3cf8 s LYS 108 N -0.47 0.34 -0.20 4.82 1.02 -0.66 -4.96 119.74 119.62 3cf8 s LYS 108 Ca 0.24 0.04 -0.09 0.00 0.02 0.00 0.00 55.97 56.19 3cf8 s LYS 108 Cb -0.16 -0.48 -0.05 0.00 -0.52 0.00 0.00 37.83 36.62 3cf8 s LYS 108 CO 0.12 -0.11 0.11 -0.06 -0.92 0.00 0.00 175.35 174.49 3cf8 s PHE 109 N 0.90 3.33 -0.15 3.18 0.40 -1.26 -1.15 117.98 123.22 3cf8 s PHE 109 Ca -0.09 0.20 -0.03 0.00 -0.60 0.00 0.00 56.93 56.40 3cf8 s PHE 109 Cb -0.13 -2.15 -0.08 0.00 0.51 0.00 0.00 43.02 41.18 3cf8 s PHE 109 CO -0.01 0.19 -0.16 0.54 0.70 0.00 0.00 175.22 176.47 3cf8 n ARG 110 N 3.68 0.35 -4.49 0.44 1.74 0.14 -4.98 116.66 113.54 3cf8 n ARG 110 Ca -0.16 0.11 -0.23 0.00 -0.77 0.00 0.00 57.85 56.81 3cf8 n ARG 110 Cb 0.52 -1.17 -0.16 0.00 -1.02 0.00 0.00 32.46 30.63 3cf8 n ARG 110 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3cf8 s ILE 111 N -2.29 0.97 0.53 0.55 1.01 -1.18 -5.05 121.20 115.73 3cf8 s ILE 111 Ca -0.21 -0.41 -0.22 0.00 0.00 0.00 0.00 60.65 59.81 3cf8 s ILE 111 Cb 0.07 -0.88 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 3cf8 s ILE 111 CO 0.30 0.31 1.37 -2.16 0.00 0.00 0.00 174.94 174.76 3cf8 s PRO 112 N 0.49 3.25 -0.18 2.79 0.04 -1.26 -4.83 135.00 135.29 3cf8 s PRO 112 Ca -0.09 2.26 -0.06 0.00 0.04 0.00 0.00 61.00 63.14 3cf8 s PRO 112 Cb -0.13 -2.33 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 3cf8 s PRO 112 CO 0.02 -1.11 0.04 0.08 0.04 0.00 0.00 177.00 176.06 3cf8 s VAL 113 N -1.29 4.53 0.25 -0.36 1.01 -1.26 -5.03 120.40 118.25 3cf8 s VAL 113 Ca 0.70 -0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.58 3cf8 s VAL 113 Cb -0.41 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 3cf8 s VAL 113 CO 0.49 0.46 0.01 0.42 0.00 0.00 0.00 175.10 176.49 3cf8 s THR 114 N 0.43 1.03 0.25 3.92 -4.23 -1.26 0.03 115.64 115.80 3cf8 s THR 114 Ca 0.01 -2.03 -0.31 0.00 -1.18 0.00 0.00 61.69 58.19 3cf8 s THR 114 Cb -0.13 -2.45 -0.13 0.00 1.34 0.00 0.00 72.50 71.13 3cf8 s THR 114 CO 0.01 -0.24 1.37 -2.65 -0.54 0.00 0.00 174.62 172.57 3cf8 n PRO 115 N -0.47 1.98 0.00 3.99 -0.02 -1.26 -1.96 135.00 137.26 3cf8 n PRO 115 Ca -0.04 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3cf8 n PRO 115 Cb 0.65 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 3cf8 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cf8 n GLY 116 N 1.98 2.02 3.77 -1.23 0.00 0.15 -4.91 105.19 106.97 3cf8 n GLY 116 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3cf8 n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cf8 s ASP 117 N -1.53 7.47 -0.48 1.61 -0.00 -0.83 -4.90 116.67 118.02 3cf8 s ASP 117 Ca 0.00 1.85 -0.17 0.00 -0.00 0.00 0.00 52.55 54.23 3cf8 s ASP 117 Cb 0.00 -2.58 0.06 0.00 -0.00 0.00 0.00 42.92 40.41 3cf8 s ASP 117 CO 0.00 0.07 0.47 -0.60 -0.00 0.00 0.00 175.17 175.12 3cf8 s ARG 118 N -1.55 3.04 -0.59 8.23 3.52 -1.26 -0.38 118.95 129.96 3cf8 s ARG 118 Ca 0.44 -1.14 -0.23 0.00 -0.13 0.00 0.00 55.73 54.67 3cf8 s ARG 118 Cb -0.22 -4.10 0.05 0.00 -1.56 0.00 0.00 34.95 29.12 3cf8 s ARG 118 CO 0.28 -1.07 0.92 -1.17 -0.81 0.00 0.00 175.30 173.44 3cf8 s LEU 119 N 2.02 4.30 -0.21 -0.88 2.96 0.83 -4.43 118.68 123.27 3cf8 s LEU 119 Ca 0.08 -0.67 -0.14 0.00 -0.22 0.00 0.00 54.13 53.19 3cf8 s LEU 119 Cb -0.22 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 3cf8 s LEU 119 CO 0.09 -1.28 0.30 -0.70 -1.32 0.00 0.00 176.35 173.43 3cf8 s GLU 120 N 3.86 4.15 -0.24 1.98 2.12 0.14 -0.42 118.70 130.29 3cf8 s GLU 120 Ca 0.25 0.01 -0.10 0.00 0.36 0.00 0.00 54.97 55.50 3cf8 s GLU 120 Cb -0.15 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.67 3cf8 s GLU 120 CO 0.15 0.04 0.15 0.71 -0.54 0.00 0.00 175.26 175.77 3cf8 s TYR 121 N 1.09 3.29 -0.28 5.30 1.51 0.20 0.31 117.35 128.77 3cf8 s TYR 121 Ca 0.14 0.17 -0.02 0.00 -1.01 0.00 0.00 57.07 56.36 3cf8 s TYR 121 Cb -0.14 -2.27 0.04 0.00 -0.11 0.00 0.00 41.96 39.48 3cf8 s TYR 121 CO 0.06 0.02 -0.02 -1.01 -1.11 0.00 0.00 175.55 173.49 3cf8 s HIS 122 N 1.14 3.19 -0.06 2.71 3.76 -0.00 -1.11 115.29 124.92 3cf8 s HIS 122 Ca 0.07 -1.74 0.03 0.00 -0.15 0.00 0.00 55.06 53.27 3cf8 s HIS 122 Cb -0.14 -2.09 0.01 0.00 1.11 0.00 0.00 32.58 31.46 3cf8 s HIS 122 CO 0.05 -0.77 -0.14 -0.51 -0.85 0.00 0.00 174.74 172.52 3cf8 s LEU 123 N 1.28 1.75 0.19 0.89 2.01 -0.47 -1.20 118.68 123.14 3cf8 s LEU 123 Ca -0.03 -0.32 0.08 0.00 0.01 0.00 0.00 54.13 53.87 3cf8 s LEU 123 Cb -0.19 -0.88 -0.04 0.00 0.01 0.00 0.00 46.19 45.09 3cf8 s LEU 123 CO -0.02 0.07 -0.04 -1.83 1.01 0.00 0.00 176.35 175.54 3cf8 s GLU 124 N 0.48 2.25 -0.02 1.70 -1.05 -0.43 -0.32 118.70 121.31 3cf8 s GLU 124 Ca -0.12 -1.23 -0.28 0.00 -0.15 0.00 0.00 54.97 53.19 3cf8 s GLU 124 Cb -0.15 -2.24 -0.03 0.00 -0.44 0.00 0.00 34.13 31.27 3cf8 s GLU 124 CO 0.04 0.43 0.88 0.14 0.95 0.00 0.00 175.26 177.70 3cf8 s VAL 125 N -1.83 4.91 -0.17 1.83 -7.23 -0.33 -1.84 120.40 115.74 3cf8 s VAL 125 Ca 0.27 1.84 -0.09 0.00 -1.81 0.00 0.00 61.98 62.19 3cf8 s VAL 125 Cb -0.09 -4.22 -0.23 0.00 0.56 0.00 0.00 36.38 32.41 3cf8 s VAL 125 CO 0.17 0.20 0.22 0.18 -0.31 0.00 0.00 175.10 175.57 3cf8 n LEU 126 N 3.79 2.47 -3.57 1.32 4.77 0.13 -4.93 117.00 120.97 3cf8 n LEU 126 Ca 0.03 0.22 -0.16 0.00 -0.03 0.00 0.00 56.01 56.08 3cf8 n LEU 126 Cb 0.51 -1.05 -0.06 0.00 -2.33 0.00 0.00 43.42 40.49 3cf8 n LEU 126 CO 0.50 0.72 0.47 -0.75 -1.33 0.00 0.00 177.39 177.01 3cf8 s LYS 127 N -2.51 0.92 -0.04 3.23 2.20 -0.77 -5.02 119.74 117.76 3cf8 s LYS 127 Ca -0.26 0.52 -0.10 0.00 -0.36 0.00 0.00 55.97 55.77 3cf8 s LYS 127 Cb 0.07 0.44 0.02 0.00 -1.51 0.00 0.00 37.83 36.85 3cf8 s LYS 127 CO 0.69 -0.23 0.23 -3.38 -0.36 0.00 0.00 175.35 172.31 3cf8 s HIS 128 N -0.58 -0.14 -0.18 4.03 -3.43 -1.26 0.53 115.29 114.26 3cf8 s HIS 128 Ca -0.06 0.27 -0.05 0.00 -0.80 0.00 0.00 55.06 54.42 3cf8 s HIS 128 Cb -0.02 0.05 0.09 0.00 -1.43 0.00 0.00 32.58 31.26 3cf8 s HIS 128 CO 0.05 -0.27 0.33 0.21 -2.00 0.00 0.00 174.74 173.07 3cf8 s LYS 129 N -0.86 0.25 7.39 -0.38 2.20 -0.29 -5.03 119.74 123.01 3cf8 s LYS 129 Ca -0.09 0.77 0.00 0.00 -0.36 0.00 0.00 55.97 56.29 3cf8 s LYS 129 Cb -0.05 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.20 3cf8 s LYS 129 CO 0.02 -0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 3cf8 n GLY 130 N 5.36 4.15 0.02 5.54 0.00 -1.26 -1.22 105.19 117.79 3cf8 n GLY 130 Ca -0.06 0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3cf8 n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cf8 n MET 131 N 14.00 0.13 -3.53 1.61 2.81 -1.26 -4.83 117.12 126.05 3cf8 n MET 131 Ca 0.00 -0.05 -0.39 0.00 -1.81 0.00 0.00 57.70 55.45 3cf8 n MET 131 Cb 0.00 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 30.91 3cf8 n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3cf8 s ILE 132 N -2.90 5.27 -0.12 2.02 1.01 -0.36 -1.74 121.20 124.38 3cf8 s ILE 132 Ca 0.16 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.94 3cf8 s ILE 132 Cb 0.19 -3.63 0.02 0.00 0.01 0.00 0.00 42.46 39.04 3cf8 s ILE 132 CO 0.59 0.14 -0.15 0.26 0.00 0.00 0.00 174.94 175.77 3cf8 s TRP 133 N 1.82 2.06 -0.28 3.97 0.52 -0.11 -1.14 118.94 125.78 3cf8 s TRP 133 Ca 0.08 -1.04 -0.09 0.00 0.02 0.00 0.00 56.10 55.08 3cf8 s TRP 133 Cb -0.16 -1.49 -0.03 0.00 -1.15 0.00 0.00 33.47 30.64 3cf8 s TRP 133 CO 0.11 -0.55 0.12 -1.14 0.02 0.00 0.00 176.95 175.51 3cf8 s GLN 134 N 1.16 3.60 0.32 4.98 0.74 0.19 -0.52 119.66 130.13 3cf8 s GLN 134 Ca -0.03 -0.53 0.06 0.00 0.05 0.00 0.00 55.36 54.92 3cf8 s GLN 134 Cb -0.14 -3.47 -0.06 0.00 1.10 0.00 0.00 33.01 30.44 3cf8 s GLN 134 CO -0.05 -0.26 -0.02 0.14 -0.55 0.00 0.00 175.29 174.55 3cf8 s VAL 135 N 1.64 1.67 0.10 1.34 -7.23 0.06 0.17 120.40 118.16 3cf8 s VAL 135 Ca 0.06 -2.08 -0.24 0.00 -1.81 0.00 0.00 61.98 57.91 3cf8 s VAL 135 Cb -0.16 -2.67 0.07 0.00 0.56 0.00 0.00 36.38 34.18 3cf8 s VAL 135 CO 0.06 -0.15 0.59 -0.83 -0.31 0.00 0.00 175.10 174.46 3cf8 s GLY 136 N -3.53 -0.56 0.00 2.32 0.00 -0.77 -0.75 107.32 104.04 3cf8 s GLY 136 Ca 0.33 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.68 3cf8 s GLY 136 CO 0.15 0.31 0.00 0.61 0.00 0.00 0.00 173.10 174.16 3cf8 n GLY 137 N -0.01 -0.70 3.16 0.20 0.00 -0.47 -1.31 105.19 106.06 3cf8 n GLY 137 Ca -0.18 -0.29 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 3cf8 n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cf8 s THR 138 N -4.00 0.23 -0.07 2.61 -4.23 -0.34 -1.96 115.64 107.88 3cf8 s THR 138 Ca 0.00 -1.91 0.03 0.00 -1.18 0.00 0.00 61.69 58.63 3cf8 s THR 138 Cb 0.00 -1.97 -0.02 0.00 1.34 0.00 0.00 72.50 71.85 3cf8 s THR 138 CO 0.00 -0.56 -0.14 0.00 -0.54 0.00 0.00 174.62 173.37 3cf8 s ALA 139 N -3.95 2.62 0.02 3.99 0.00 -0.25 -0.82 121.76 123.37 3cf8 s ALA 139 Ca 0.21 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.26 3cf8 s ALA 139 Cb 0.07 -1.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 3cf8 s ALA 139 CO 0.00 0.45 -0.14 -0.65 0.00 0.00 0.00 175.76 175.42 3cf8 s GLN 140 N -0.36 1.02 -0.13 0.00 -0.21 0.15 -0.43 119.66 119.70 3cf8 s GLN 140 Ca 0.04 -0.64 0.01 0.00 0.02 0.00 0.00 55.36 54.79 3cf8 s GLN 140 Cb -0.12 -1.02 0.02 0.00 1.00 0.00 0.00 33.01 32.89 3cf8 s GLN 140 CO 0.02 0.26 -0.14 0.08 -2.12 0.00 0.00 175.29 173.40 3cf8 s VAL 141 N -0.61 1.47 -1.45 1.09 1.01 -0.23 -0.68 120.40 121.00 3cf8 s VAL 141 Ca 0.03 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 3cf8 s VAL 141 Cb -0.07 -1.37 0.04 0.00 0.00 0.00 0.00 36.38 34.98 3cf8 s VAL 141 CO 0.00 0.44 0.70 -0.67 0.00 0.00 0.00 175.10 175.57 3cf8 n ASP 142 N 4.52 -2.11 0.00 3.32 4.64 -1.26 -1.39 116.55 124.27 3cf8 n ASP 142 Ca -0.17 -0.89 0.00 0.00 -1.38 0.00 0.00 54.79 52.34 3cf8 n ASP 142 Cb 0.51 -3.52 0.00 0.00 -1.04 0.00 0.00 41.12 37.06 3cf8 n ASP 142 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3cf8 n GLY 143 N -1.71 2.45 3.68 0.27 0.00 -1.26 -5.01 105.19 103.60 3cf8 n GLY 143 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 3cf8 n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cf8 s LYS 144 N -0.12 3.87 -0.16 1.61 1.02 -0.48 -5.06 119.74 120.41 3cf8 s LYS 144 Ca 0.00 -0.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 3cf8 s LYS 144 Cb 0.00 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.07 3cf8 s LYS 144 CO 0.00 0.37 1.69 0.08 -0.92 0.00 0.00 175.35 176.57 3cf8 s VAL 145 N 0.11 3.57 -0.54 3.17 1.01 -1.26 -1.07 120.40 125.39 3cf8 s VAL 145 Ca 0.06 0.66 0.20 0.00 0.00 0.00 0.00 61.98 62.89 3cf8 s VAL 145 Cb -0.12 -3.55 -0.25 0.00 0.00 0.00 0.00 36.38 32.46 3cf8 s VAL 145 CO 0.00 -0.20 0.66 1.33 0.00 0.00 0.00 175.10 176.90 3cf8 n VAL 146 N 6.23 0.00 -3.55 2.92 0.24 0.42 -4.61 118.33 119.99 3cf8 n VAL 146 Ca 0.19 -0.22 -0.15 0.00 -2.04 0.00 0.00 64.34 62.13 3cf8 n VAL 146 Cb 0.44 0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 33.35 3cf8 n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cf8 s ALA 147 N -3.08 -1.84 0.11 2.33 0.00 -1.14 -0.68 121.76 117.46 3cf8 s ALA 147 Ca 0.01 1.48 0.08 0.00 0.00 0.00 0.00 51.96 53.54 3cf8 s ALA 147 Cb 0.14 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3cf8 s ALA 147 CO 0.82 -0.34 -0.21 -1.21 0.00 0.00 0.00 175.76 174.82 3cf8 s GLU 148 N -1.01 1.14 -0.02 0.00 2.02 -0.30 -1.09 118.70 119.44 3cf8 s GLU 148 Ca -0.06 -1.18 -0.29 0.00 0.02 0.00 0.00 54.97 53.45 3cf8 s GLU 148 Cb -0.01 -1.40 0.08 0.00 0.10 0.00 0.00 34.13 32.91 3cf8 s GLU 148 CO 0.06 0.32 0.74 0.00 0.02 0.00 0.00 175.26 176.40 3cf8 s ALA 149 N -1.23 -1.77 0.01 5.21 0.00 -0.83 -1.66 121.76 121.50 3cf8 s ALA 149 Ca 0.07 1.15 0.06 0.00 0.00 0.00 0.00 51.96 53.24 3cf8 s ALA 149 Cb -0.10 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.12 3cf8 s ALA 149 CO 0.04 -0.48 -0.18 -1.21 0.00 0.00 0.00 175.76 173.93 3cf8 s GLU 150 N -1.96 1.34 0.03 0.00 2.02 -0.24 -1.37 118.70 118.53 3cf8 s GLU 150 Ca -0.05 -0.76 -0.16 0.00 0.02 0.00 0.00 54.97 54.02 3cf8 s GLU 150 Cb -0.00 -1.36 0.03 0.00 0.10 0.00 0.00 34.13 32.89 3cf8 s GLU 150 CO 0.01 0.36 0.35 -0.48 0.02 0.00 0.00 175.26 175.53 3cf8 s LEU 151 N -0.79 0.66 -0.11 1.80 0.05 0.07 -0.86 118.68 119.50 3cf8 s LEU 151 Ca 0.06 -0.06 0.03 0.00 0.05 0.00 0.00 54.13 54.21 3cf8 s LEU 151 Cb -0.08 1.52 0.01 0.00 -2.05 0.00 0.00 46.19 45.59 3cf8 s LEU 151 CO 0.00 -0.61 -0.20 -0.75 -0.55 0.00 0.00 176.35 174.25 3cf8 s LYS 152 N -2.31 2.64 0.27 1.48 2.20 -0.67 -0.76 119.74 122.58 3cf8 s LYS 152 Ca -0.06 -0.73 0.12 0.00 -0.36 0.00 0.00 55.97 54.94 3cf8 s LYS 152 Cb -0.01 -2.10 -0.05 0.00 -1.51 0.00 0.00 37.83 34.16 3cf8 s LYS 152 CO -0.02 0.05 -0.19 0.00 -0.36 0.00 0.00 175.35 174.84 3cf8 s ALA 153 N 0.67 2.76 -0.04 3.13 0.00 0.32 -0.51 121.76 128.09 3cf8 s ALA 153 Ca -0.12 -1.82 0.05 0.00 0.00 0.00 0.00 51.96 50.07 3cf8 s ALA 153 Cb -0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 3cf8 s ALA 153 CO 0.03 0.30 -0.19 1.41 0.00 0.00 0.00 175.76 177.31 3cf8 s MET 154 N -3.40 1.86 -0.09 0.00 1.75 0.21 -0.94 119.30 118.69 3cf8 s MET 154 Ca 0.29 -0.67 -0.15 0.00 -1.25 0.00 0.00 55.69 53.91 3cf8 s MET 154 Cb -0.06 -1.64 -0.05 0.00 2.84 0.00 0.00 34.83 35.93 3cf8 s MET 154 CO 0.15 0.29 0.37 0.42 -0.65 0.00 0.00 175.02 175.60 3cf8 s ILE 155 N -0.08 5.19 0.02 10.11 1.01 -0.71 -0.72 121.20 136.02 3cf8 s ILE 155 Ca -0.02 0.72 0.00 0.00 0.00 0.00 0.00 60.65 61.35 3cf8 s ILE 155 Cb -0.11 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.65 3cf8 s ILE 155 CO 0.02 0.46 -0.03 0.00 0.00 0.00 0.00 174.94 175.39 3cf8 s ALA 156 N -0.17 0.14 -2.00 9.38 0.00 -0.55 -4.83 121.76 123.74 3cf8 s ALA 156 Ca 0.21 -0.55 0.24 0.00 0.00 0.00 0.00 51.96 51.86 3cf8 s ALA 156 Cb -0.15 0.13 1.45 0.00 0.00 0.00 0.00 23.12 24.56 3cf8 s ALA 156 CO 0.09 -0.14 1.82 0.39 0.00 0.00 0.00 175.76 177.91