#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 1.76 0.49 3.69 0.40 -0.40 -5.00 117.98 118.93 3cf8 s PHE 12 Ca 0.00 -0.34 0.07 0.00 -0.60 0.00 0.00 56.93 56.06 3cf8 s PHE 12 Cb 0.00 -1.11 0.02 0.00 0.51 0.00 0.00 43.02 42.45 3cf8 s PHE 12 CO 0.00 0.01 0.49 -0.06 0.70 0.00 0.00 175.22 176.36 3cf8 s PHE 13 N -0.57 2.12 0.30 0.36 0.40 -1.26 -1.35 117.98 117.98 3cf8 s PHE 13 Ca 0.07 -0.64 0.05 0.00 -0.60 0.00 0.00 56.93 55.82 3cf8 s PHE 13 Cb -0.08 -2.12 0.74 0.00 0.51 0.00 0.00 43.02 42.07 3cf8 s PHE 13 CO 0.00 -0.47 1.73 0.97 0.70 0.00 0.00 175.22 178.14 3cf8 h ILE 14 N 0.73 0.56 -0.67 0.64 6.09 -1.92 -0.28 117.51 122.66 3cf8 h ILE 14 Ca -0.37 -0.18 -0.01 0.00 -1.37 0.00 0.00 64.86 62.92 3cf8 h ILE 14 Cb 1.28 -0.02 -0.03 0.00 0.47 0.00 0.00 36.82 38.52 3cf8 h ILE 14 CO 0.53 0.10 0.37 1.05 -3.07 0.00 0.00 178.15 177.13 3cf8 h GLU 15 N 0.53 0.93 -0.19 2.19 9.09 -1.95 -0.43 114.58 124.75 3cf8 h GLU 15 Ca 0.57 -0.09 -0.08 0.00 0.05 0.00 0.00 59.36 59.80 3cf8 h GLU 15 Cb 1.02 -0.19 -0.00 0.00 -1.65 0.00 0.00 28.75 27.93 3cf8 h GLU 15 CO -0.47 0.68 -0.21 0.45 0.05 0.00 0.00 179.01 179.51 3cf8 h HIS 16 N 0.94 0.57 -0.43 2.06 3.86 -1.46 -3.08 115.15 117.61 3cf8 h HIS 16 Ca 0.24 -0.18 0.06 0.00 -1.16 0.00 0.00 60.37 59.33 3cf8 h HIS 16 Cb 0.01 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.31 3cf8 h HIS 16 CO 0.01 0.85 0.14 0.82 0.86 0.00 0.00 177.93 180.60 3cf8 h ILE 17 N 0.14 0.84 -0.38 2.45 2.04 -0.92 -2.19 117.51 119.48 3cf8 h ILE 17 Ca 0.03 -0.10 0.07 0.00 1.00 0.00 0.00 64.86 65.86 3cf8 h ILE 17 Cb 0.76 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3cf8 h ILE 17 CO 0.05 0.05 0.26 -0.07 0.00 0.00 0.00 178.15 178.45 3cf8 h LEU 18 N 0.29 0.17 -0.36 1.44 3.38 -1.12 0.52 115.31 119.63 3cf8 h LEU 18 Ca 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3cf8 h LEU 18 Cb 0.22 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3cf8 h LEU 18 CO -0.23 0.11 -0.03 1.56 0.09 0.00 0.00 178.44 179.94 3cf8 h GLN 19 N 0.20 0.00 0.00 1.13 4.20 -1.31 -3.38 115.11 115.96 3cf8 h GLN 19 Ca 0.17 0.00 -0.44 0.00 0.06 0.00 0.00 58.65 58.45 3cf8 h GLN 19 Cb 0.44 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.15 3cf8 h GLN 19 CO -0.03 0.03 -2.45 -0.89 -0.67 0.00 0.00 178.83 174.83 3cf8 n ILE 20 N -3.11 1.53 -3.29 2.54 2.08 -0.60 -4.49 119.36 114.02 3cf8 n ILE 20 Ca 0.03 -0.39 -0.39 0.00 0.56 0.00 0.00 62.75 62.56 3cf8 n ILE 20 Cb 0.49 -1.82 -0.06 0.00 -0.75 0.00 0.00 39.64 37.50 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 -7.39 4.47 0.20 1.39 1.43 0.07 -4.85 118.68 114.01 3cf8 s LEU 21 Ca -0.37 1.15 0.26 0.00 -1.03 0.00 0.00 54.13 54.13 3cf8 s LEU 21 Cb 0.13 -2.84 0.87 0.00 0.03 0.00 0.00 46.19 44.38 3cf8 s LEU 21 CO 0.52 0.21 1.77 -0.81 0.23 0.00 0.00 176.35 178.27 3cf8 n PRO 22 N 2.20 0.23 -1.72 1.29 -0.04 -1.26 -4.64 135.00 131.05 3cf8 n PRO 22 Ca -0.10 0.24 -0.43 0.00 -0.04 0.00 0.00 63.50 63.17 3cf8 n PRO 22 Cb 0.51 -1.79 -0.02 0.00 -0.04 0.00 0.00 33.50 32.16 3cf8 n PRO 22 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3cf8 n HIS 23 N -2.20 2.62 -4.45 0.54 8.25 -1.26 -5.03 115.22 113.69 3cf8 n HIS 23 Ca 0.05 0.32 -0.23 0.00 -0.26 0.00 0.00 57.72 57.60 3cf8 n HIS 23 Cb 0.39 -2.55 -0.08 0.00 1.12 0.00 0.00 29.99 28.87 3cf8 n HIS 23 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3cf8 s ARG 24 N -0.52 1.84 0.27 -0.41 1.81 -1.26 -4.63 118.95 116.06 3cf8 s ARG 24 Ca 0.65 -2.10 -0.30 0.00 -1.72 0.00 0.00 55.73 52.26 3cf8 s ARG 24 Cb -0.55 -0.38 -0.13 0.00 -0.45 0.00 0.00 34.95 33.44 3cf8 s ARG 24 CO 0.49 -0.50 1.34 0.98 -0.68 0.00 0.00 175.30 176.94 3cf8 n TYR 25 N -0.81 2.12 -1.39 -0.53 4.19 -1.26 0.02 117.16 119.50 3cf8 n TYR 25 Ca -0.03 0.49 -0.35 0.00 3.31 0.00 0.00 57.90 61.32 3cf8 n TYR 25 Cb 0.65 -2.43 0.07 0.00 0.49 0.00 0.00 39.34 38.12 3cf8 n TYR 25 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3cf8 n PRO 26 N 1.49 2.68 -0.04 2.98 -0.04 -1.26 -4.92 135.00 135.90 3cf8 n PRO 26 Ca 0.09 -3.29 0.01 0.00 -0.04 0.00 0.00 63.50 60.27 3cf8 n PRO 26 Cb 0.33 -2.28 0.01 0.00 -0.04 0.00 0.00 33.50 31.52 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 -0.86 1.62 -3.15 0.54 2.81 0.10 -4.95 117.12 113.24 3cf8 n MET 27 Ca 0.62 -1.21 -0.43 0.00 -1.81 0.00 0.00 57.70 54.86 3cf8 n MET 27 Cb 0.61 -0.84 -0.07 0.00 -0.71 0.00 0.00 33.22 32.22 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 -0.75 4.73 -0.24 4.03 2.96 -0.96 -4.67 118.68 123.79 3cf8 s LEU 28 Ca 0.03 -0.63 0.12 0.00 -0.22 0.00 0.00 54.13 53.42 3cf8 s LEU 28 Cb 0.02 -2.56 0.46 0.00 0.50 0.00 0.00 46.19 44.61 3cf8 s LEU 28 CO 0.00 -0.81 1.35 0.18 -1.32 0.00 0.00 176.35 175.75 3cf8 n LEU 29 N 6.17 3.48 -3.96 -0.68 4.77 -1.26 -4.89 117.00 120.64 3cf8 n LEU 29 Ca -0.04 -3.64 -0.26 0.00 -0.03 0.00 0.00 56.01 52.03 3cf8 n LEU 29 Cb 0.47 -0.57 -0.17 0.00 -2.33 0.00 0.00 43.42 40.82 3cf8 n LEU 29 CO 0.53 1.17 -0.45 -0.69 -1.33 0.00 0.00 177.39 176.61 3cf8 s VAL 30 N -3.15 1.09 -0.14 4.08 1.01 -1.26 -4.55 120.40 117.48 3cf8 s VAL 30 Ca 0.41 -0.38 0.14 0.00 0.00 0.00 0.00 61.98 62.15 3cf8 s VAL 30 Cb 0.37 -1.06 -0.24 0.00 0.00 0.00 0.00 36.38 35.45 3cf8 s VAL 30 CO -0.01 0.37 0.30 0.47 0.00 0.00 0.00 175.10 176.23 3cf8 n ASP 31 N 4.50 0.58 -3.55 3.32 8.00 0.27 -4.96 116.55 124.70 3cf8 n ASP 31 Ca -0.17 0.17 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 3cf8 n ASP 31 Cb 0.51 0.40 -0.06 0.00 -0.02 0.00 0.00 41.12 41.94 3cf8 n ASP 31 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3cf8 s ARG 32 N -2.54 0.98 -0.23 -1.24 3.52 -1.01 -3.25 118.95 115.17 3cf8 s ARG 32 Ca -0.10 0.47 -0.03 0.00 -0.13 0.00 0.00 55.73 55.94 3cf8 s ARG 32 Cb 0.07 0.47 0.00 0.00 -1.56 0.00 0.00 34.95 33.93 3cf8 s ARG 32 CO 0.81 -0.26 -0.05 0.42 -0.81 0.00 0.00 175.30 175.41 3cf8 s ILE 33 N -0.73 3.18 -0.12 4.11 1.01 -0.46 -0.68 121.20 127.52 3cf8 s ILE 33 Ca -0.07 -0.69 0.17 0.00 0.00 0.00 0.00 60.65 60.06 3cf8 s ILE 33 Cb -0.01 -2.50 -0.22 0.00 0.01 0.00 0.00 42.46 39.74 3cf8 s ILE 33 CO 0.07 0.34 0.51 0.35 0.00 0.00 0.00 174.94 176.22 3cf8 n THR 34 N 4.75 1.20 -3.87 2.92 -2.24 -0.06 -1.27 114.28 115.72 3cf8 n THR 34 Ca -0.18 -0.74 -0.12 0.00 -2.27 0.00 0.00 64.05 60.74 3cf8 n THR 34 Cb 0.49 -0.62 -0.12 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.79 0.22 -0.28 -0.78 2.02 -0.66 -4.40 118.70 112.03 3cf8 s GLU 35 Ca -0.06 -0.09 -0.06 0.00 0.02 0.00 0.00 54.97 54.78 3cf8 s GLU 35 Cb 0.08 0.09 0.14 0.00 0.10 0.00 0.00 34.13 34.54 3cf8 s GLU 35 CO 0.83 -0.04 0.57 -1.17 0.02 0.00 0.00 175.26 175.47 3cf8 s LEU 36 N -0.47 -1.07 -0.24 1.80 0.20 -1.26 -1.38 118.68 116.27 3cf8 s LEU 36 Ca -0.05 1.16 -0.00 0.00 0.69 0.00 0.00 54.13 55.92 3cf8 s LEU 36 Cb -0.03 1.98 0.03 0.00 -0.43 0.00 0.00 46.19 47.74 3cf8 s LEU 36 CO 0.00 -0.24 -0.09 -1.10 -0.29 0.00 0.00 176.35 174.63 3cf8 s GLN 37 N 2.80 2.71 0.22 1.98 -0.21 0.17 -5.00 119.66 122.34 3cf8 s GLN 37 Ca 0.04 -1.05 -0.31 0.00 0.02 0.00 0.00 55.36 54.06 3cf8 s GLN 37 Cb -0.13 -2.90 -0.14 0.00 1.00 0.00 0.00 33.01 30.84 3cf8 s GLN 37 CO -0.18 -0.41 1.26 0.00 -2.12 0.00 0.00 175.29 173.83 3cf8 n ALA 38 N 4.60 0.19 -0.75 6.09 0.00 -1.26 -1.00 120.51 128.39 3cf8 n ALA 38 Ca -0.17 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.70 3cf8 n ALA 38 Cb 0.46 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.77 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 1.93 -2.21 0.00 0.00 4.13 -1.26 -4.75 115.26 113.10 3cf8 n ASN 39 Ca 0.12 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.38 3cf8 n ASN 39 Cb 0.29 -2.48 0.00 0.00 -1.54 0.00 0.00 39.78 36.05 3cf8 n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3cf8 n GLN 40 N -1.05 0.00 -3.50 3.52 6.02 -0.17 -4.62 117.38 117.58 3cf8 n GLN 40 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 3cf8 n GLN 40 Cb 0.17 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.40 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 -0.91 1.21 0.01 -1.09 -2.85 -0.80 -0.73 119.74 114.58 3cf8 s LYS 41 Ca 0.00 -0.56 0.03 0.00 -1.00 0.00 0.00 55.97 54.43 3cf8 s LYS 41 Cb 0.00 0.55 -0.01 0.00 -2.06 0.00 0.00 37.83 36.30 3cf8 s LYS 41 CO 0.00 -0.51 -0.09 -1.50 0.10 0.00 0.00 175.35 173.35 3cf8 s ILE 42 N -3.77 0.69 -0.15 3.79 2.07 -0.13 -0.65 121.20 123.04 3cf8 s ILE 42 Ca 0.02 -0.64 0.00 0.00 -1.41 0.00 0.00 60.65 58.62 3cf8 s ILE 42 Cb -0.00 -0.63 0.03 0.00 0.13 0.00 0.00 42.46 41.99 3cf8 s ILE 42 CO -0.12 0.01 -0.10 -0.69 -1.91 0.00 0.00 174.94 172.12 3cf8 s VAL 43 N -0.59 1.38 0.25 4.00 1.01 -0.48 -1.95 120.40 124.03 3cf8 s VAL 43 Ca -0.00 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3cf8 s VAL 43 Cb -0.06 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 3cf8 s VAL 43 CO 0.00 0.33 0.11 0.00 0.00 0.00 0.00 175.10 175.54 3cf8 s ALA 44 N 1.55 1.66 0.11 5.51 0.00 -0.35 -0.88 121.76 129.36 3cf8 s ALA 44 Ca 0.03 -1.83 -0.08 0.00 0.00 0.00 0.00 51.96 50.08 3cf8 s ALA 44 Cb -0.14 1.11 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 3cf8 s ALA 44 CO -0.09 -0.48 0.19 1.52 0.00 0.00 0.00 175.76 176.90 3cf8 s TYR 45 N -3.80 0.29 -0.05 0.00 1.13 0.15 0.12 117.35 115.18 3cf8 s TYR 45 Ca 0.38 -0.70 0.03 0.00 -1.41 0.00 0.00 57.07 55.37 3cf8 s TYR 45 Cb 0.07 -0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.83 3cf8 s TYR 45 CO 0.14 -0.58 -0.14 0.21 -2.51 0.00 0.00 175.55 172.67 3cf8 s LYS 46 N -3.91 1.58 0.17 -3.49 2.20 0.57 -0.56 119.74 116.30 3cf8 s LYS 46 Ca 0.10 -0.47 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 3cf8 s LYS 46 Cb 0.05 -1.36 -0.07 0.00 -1.51 0.00 0.00 37.83 34.94 3cf8 s LYS 46 CO -0.07 0.14 0.95 -0.80 -0.36 0.00 0.00 175.35 175.21 3cf8 s ASN 47 N 0.29 7.56 -0.26 1.43 0.01 -1.26 -0.20 114.94 122.51 3cf8 s ASN 47 Ca -0.08 1.86 -0.07 0.00 -0.71 0.00 0.00 52.86 53.86 3cf8 s ASN 47 Cb -0.12 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 38.92 3cf8 s ASN 47 CO 0.02 0.03 0.08 -0.63 -1.51 0.00 0.00 177.10 175.10 3cf8 s ILE 48 N -0.52 4.29 0.16 0.60 -1.09 0.24 -4.92 121.20 119.95 3cf8 s ILE 48 Ca 0.44 -0.28 0.08 0.00 -2.23 0.00 0.00 60.65 58.66 3cf8 s ILE 48 Cb -0.25 -3.06 -0.04 0.00 -1.58 0.00 0.00 42.46 37.54 3cf8 s ILE 48 CO 0.31 0.27 -0.18 0.28 -1.23 0.00 0.00 174.94 174.39 3cf8 s THR 49 N 1.60 1.74 0.48 2.92 -1.32 -1.26 0.89 115.64 120.68 3cf8 s THR 49 Ca 0.06 -1.88 0.23 0.00 -1.21 0.00 0.00 61.69 58.89 3cf8 s THR 49 Cb -0.16 -1.79 0.27 0.00 -1.51 0.00 0.00 72.50 69.32 3cf8 s THR 49 CO 0.04 -0.33 2.10 0.15 -2.21 0.00 0.00 174.62 174.37 3cf8 h PHE 50 N 3.30 0.00 0.00 9.09 3.57 -1.96 -3.26 116.94 127.68 3cf8 h PHE 50 Ca -0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.08 3cf8 h PHE 50 Cb 1.20 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 3cf8 h PHE 50 CO 0.67 0.10 0.00 -1.71 -2.23 0.00 0.00 178.31 175.14 3cf8 n ASN 51 N -3.96 3.28 -4.38 0.41 4.05 -1.26 -4.76 115.26 108.63 3cf8 n ASN 51 Ca -0.02 -1.82 -0.32 0.00 0.45 0.00 0.00 54.58 52.87 3cf8 n ASN 51 Cb 0.19 -0.66 -0.15 0.00 1.23 0.00 0.00 39.78 40.39 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 0.50 2.40 0.40 1.20 2.02 -1.23 -5.03 118.70 118.96 3cf8 s GLU 52 Ca 0.00 -0.81 0.07 0.00 0.02 0.00 0.00 54.97 54.25 3cf8 s GLU 52 Cb 0.00 -2.23 0.83 0.00 0.10 0.00 0.00 34.13 32.83 3cf8 s GLU 52 CO 0.00 0.55 2.04 0.22 0.02 0.00 0.00 175.26 178.09 3cf8 h ASP 53 N 5.55 0.47 -1.00 -0.19 3.58 -1.94 -2.58 116.42 120.30 3cf8 h ASP 53 Ca -0.42 -0.02 0.25 0.00 0.42 0.00 0.00 57.03 57.26 3cf8 h ASP 53 Cb 1.15 -0.12 -0.13 0.00 1.72 0.00 0.00 39.33 41.95 3cf8 h ASP 53 CO 0.49 0.37 0.59 0.58 -2.88 0.00 0.00 179.24 178.39 3cf8 h VAL 54 N 0.55 0.51 0.00 2.25 2.07 -1.96 -2.19 116.25 117.49 3cf8 h VAL 54 Ca 0.14 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3cf8 h VAL 54 Cb -0.02 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.66 3cf8 h VAL 54 CO -0.03 0.10 0.00 -0.26 0.02 0.00 0.00 177.57 177.40 3cf8 h PHE 55 N 0.56 0.00 -0.48 1.57 0.05 -1.72 -2.24 116.94 114.68 3cf8 h PHE 55 Ca 0.65 0.00 0.05 0.00 3.82 0.00 0.00 57.97 62.49 3cf8 h PHE 55 Cb 1.27 0.00 -0.03 0.00 2.00 0.00 0.00 35.95 39.19 3cf8 h PHE 55 CO -0.01 0.00 0.32 -0.91 -0.18 0.00 0.00 178.31 177.53 3cf8 h ASN 56 N 0.00 0.41 0.00 2.17 2.35 -1.56 -3.29 115.58 115.66 3cf8 h ASN 56 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3cf8 h ASN 56 Cb 0.38 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3cf8 h ASN 56 CO 0.00 0.27 0.00 0.61 -1.65 0.00 0.00 177.43 176.66 3cf8 n GLY 57 N -1.50 -0.65 2.20 2.83 0.00 -0.89 -4.04 105.19 103.14 3cf8 n GLY 57 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.08 -0.39 -4.30 1.61 -0.00 -0.95 -4.53 115.22 106.58 3cf8 n HIS 58 Ca 0.00 -3.55 -0.16 0.00 -0.00 0.00 0.00 57.72 54.01 3cf8 n HIS 58 Cb 0.06 -0.33 -0.10 0.00 -0.00 0.00 0.00 29.99 29.62 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 -1.13 1.48 0.22 1.57 0.40 0.32 -1.24 117.98 119.60 3cf8 s PHE 59 Ca 0.35 -0.74 -0.32 0.00 -0.60 0.00 0.00 56.93 55.62 3cf8 s PHE 59 Cb 0.16 -0.76 -0.14 0.00 0.51 0.00 0.00 43.02 42.80 3cf8 s PHE 59 CO -0.11 0.14 1.42 -2.30 0.70 0.00 0.00 175.22 175.07 3cf8 n PRO 60 N -0.31 1.99 -0.82 0.24 -0.02 -1.26 -1.73 135.00 133.09 3cf8 n PRO 60 Ca -0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3cf8 n PRO 60 Cb 0.61 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 2.35 -2.75 -3.02 2.55 3.02 -1.26 -4.87 115.26 111.29 3cf8 n ASN 61 Ca 0.13 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.63 3cf8 n ASN 61 Cb 0.30 -2.34 -0.01 0.00 -0.61 0.00 0.00 39.78 37.12 3cf8 n ASN 61 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3cf8 s LYS 62 N -1.15 0.93 -0.14 3.52 2.47 -0.71 -5.14 119.74 119.53 3cf8 s LYS 62 Ca 0.00 -0.82 -0.29 0.00 -1.56 0.00 0.00 55.97 53.30 3cf8 s LYS 62 Cb 0.00 -0.14 -0.02 0.00 -1.46 0.00 0.00 37.83 36.21 3cf8 s LYS 62 CO 0.00 -1.27 1.37 -1.25 0.16 0.00 0.00 175.35 174.36 3cf8 s PRO 63 N 1.23 4.20 -0.06 4.03 0.04 -1.23 -0.52 135.00 142.68 3cf8 s PRO 63 Ca 0.24 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 3cf8 s PRO 63 Cb -0.03 -3.83 0.03 0.00 0.04 0.00 0.00 34.50 30.71 3cf8 s PRO 63 CO -0.06 -0.77 -0.00 0.42 0.04 0.00 0.00 177.00 176.62 3cf8 s ILE 64 N 3.70 0.38 -0.03 0.56 1.01 -0.38 -4.55 121.20 121.89 3cf8 s ILE 64 Ca 0.60 0.09 -0.30 0.00 0.00 0.00 0.00 60.65 61.04 3cf8 s ILE 64 Cb -0.24 -0.51 -0.06 0.00 0.01 0.00 0.00 42.46 41.65 3cf8 s ILE 64 CO 0.19 0.25 1.63 0.12 0.00 0.00 0.00 174.94 177.12 3cf8 s PHE 65 N 1.78 2.16 0.26 3.97 5.36 0.11 -4.60 117.98 127.02 3cf8 s PHE 65 Ca 0.02 0.28 -0.31 0.00 -0.96 0.00 0.00 56.93 55.97 3cf8 s PHE 65 Cb -0.13 -3.90 -0.13 0.00 -0.34 0.00 0.00 43.02 38.53 3cf8 s PHE 65 CO -0.04 -3.70 1.43 -2.30 -1.46 0.00 0.00 175.22 169.15 3cf8 n PRO 66 N 6.65 2.18 -0.26 10.12 -0.02 -1.26 -4.56 135.00 147.85 3cf8 n PRO 66 Ca 0.17 0.78 0.03 0.00 -2.02 0.00 0.00 63.50 62.45 3cf8 n PRO 66 Cb 0.42 -2.45 0.26 0.00 -0.02 0.00 0.00 33.50 31.71 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 4.12 1.17 2.00 -1.23 0.00 -1.99 -1.96 103.07 105.18 3cf8 h GLY 67 Ca -0.46 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.44 3cf8 h GLY 67 CO 0.75 0.32 -0.20 -0.39 0.00 0.00 0.00 176.54 177.02 3cf8 h VAL 68 N 0.99 1.12 0.00 4.60 -1.51 -2.00 -2.24 116.25 117.21 3cf8 h VAL 68 Ca 0.34 -0.69 -0.10 0.00 -1.23 0.00 0.00 66.70 65.02 3cf8 h VAL 68 Cb 0.10 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 3cf8 h VAL 68 CO -0.11 0.19 -0.49 -0.07 -1.23 0.00 0.00 177.57 175.87 3cf8 h LEU 69 N 0.00 0.00 -0.42 4.19 3.38 -1.74 -0.69 115.31 120.03 3cf8 h LEU 69 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3cf8 h LEU 69 Cb 0.36 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3cf8 h LEU 69 CO 0.03 0.49 0.11 0.40 0.09 0.00 0.00 178.44 179.55 3cf8 h ILE 70 N 0.00 1.23 -0.59 1.22 2.04 -0.99 -1.71 117.51 118.71 3cf8 h ILE 70 Ca -0.00 -0.79 -0.06 0.00 1.00 0.00 0.00 64.86 65.00 3cf8 h ILE 70 Cb 1.34 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 3cf8 h ILE 70 CO 0.06 0.28 0.12 0.58 0.00 0.00 0.00 178.15 179.18 3cf8 h VAL 71 N 0.54 1.25 -0.98 1.67 2.07 -1.28 -1.81 116.25 117.70 3cf8 h VAL 71 Ca 0.13 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.72 3cf8 h VAL 71 Cb 0.31 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 3cf8 h VAL 71 CO 0.00 0.35 0.65 -0.08 0.02 0.00 0.00 177.57 178.51 3cf8 h GLU 72 N 0.86 1.27 -0.42 1.57 4.57 -1.05 0.10 114.58 121.48 3cf8 h GLU 72 Ca 0.18 -0.08 -0.08 0.00 -1.18 0.00 0.00 59.36 58.20 3cf8 h GLU 72 Cb 0.39 -0.29 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3cf8 h GLU 72 CO 0.01 0.84 -0.08 0.78 -1.18 0.00 0.00 179.01 179.38 3cf8 h GLY 73 N 1.31 0.79 0.91 1.92 0.00 -1.00 -0.03 103.07 106.97 3cf8 h GLY 73 Ca 0.37 -0.57 -0.08 0.00 0.00 0.00 0.00 47.33 47.05 3cf8 h GLY 73 CO -0.09 0.52 -0.11 -0.33 0.00 0.00 0.00 176.54 176.53 3cf8 h MET 74 N 0.67 0.61 -0.15 4.80 2.86 -0.85 -1.75 114.93 121.13 3cf8 h MET 74 Ca 0.12 -0.25 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3cf8 h MET 74 Cb 0.53 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.12 3cf8 h MET 74 CO 0.03 0.82 -0.09 0.00 1.06 0.00 0.00 176.91 178.74 3cf8 h ALA 75 N 0.77 0.03 -0.94 6.32 0.00 -0.81 0.19 119.26 124.82 3cf8 h ALA 75 Ca 0.07 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3cf8 h ALA 75 Cb 0.62 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 3cf8 h ALA 75 CO 0.04 -0.53 0.62 1.96 0.00 0.00 0.00 179.25 181.34 3cf8 h GLN 76 N -0.09 1.21 -0.27 0.00 4.20 -0.98 0.20 115.11 119.39 3cf8 h GLN 76 Ca 0.09 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 3cf8 h GLN 76 Cb 0.21 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3cf8 h GLN 76 CO -0.20 0.80 0.08 0.77 -0.67 0.00 0.00 178.83 179.62 3cf8 h SER 77 N 1.25 0.39 -0.86 1.46 0.02 -1.02 -1.90 113.55 112.89 3cf8 h SER 77 Ca 0.35 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3cf8 h SER 77 Cb -0.11 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.29 3cf8 h SER 77 CO -0.08 0.49 0.46 1.23 -1.14 0.00 0.00 176.83 177.78 3cf8 h GLY 78 N 0.27 1.30 1.06 -3.77 0.00 0.06 -1.41 103.07 100.57 3cf8 h GLY 78 Ca 0.09 -0.61 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 3cf8 h GLY 78 CO -0.00 0.58 0.10 -1.33 0.00 0.00 0.00 176.54 175.89 3cf8 h GLY 79 N 1.21 1.15 1.00 4.60 0.00 -0.61 -1.48 103.07 108.94 3cf8 h GLY 79 Ca 0.30 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3cf8 h GLY 79 CO -0.05 0.71 0.35 -2.75 0.00 0.00 0.00 176.54 174.81 3cf8 h PHE 80 N 0.98 0.87 0.12 5.60 3.57 -1.05 -0.38 116.94 126.66 3cf8 h PHE 80 Ca 0.19 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3cf8 h PHE 80 Cb 0.44 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 3cf8 h PHE 80 CO 0.03 0.62 -0.06 1.25 -2.23 0.00 0.00 178.31 177.92 3cf8 h LEU 81 N 0.87 -0.16 -0.67 0.59 5.85 -1.12 -1.56 115.31 119.11 3cf8 h LEU 81 Ca 0.22 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3cf8 h LEU 81 Cb 0.03 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3cf8 h LEU 81 CO -0.04 -0.11 0.29 0.00 -0.34 0.00 0.00 178.44 178.25 3cf8 h ALA 82 N 0.71 0.87 0.22 1.25 0.00 -1.15 -0.78 119.26 120.38 3cf8 h ALA 82 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3cf8 h ALA 82 Cb 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3cf8 h ALA 82 CO 0.02 0.47 -0.10 0.35 0.00 0.00 0.00 179.25 179.98 3cf8 h PHE 83 N 0.94 -0.27 0.00 0.00 3.57 -1.01 -3.01 116.94 117.16 3cf8 h PHE 83 Ca 0.23 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 3cf8 h PHE 83 Cb 0.17 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 3cf8 h PHE 83 CO 0.01 0.01 -0.20 1.79 -2.23 0.00 0.00 178.31 177.69 3cf8 h THR 84 N -0.54 0.57 -0.55 4.41 1.35 -1.26 -0.57 112.91 116.31 3cf8 h THR 84 Ca -0.03 -0.95 -0.01 0.00 -0.55 0.00 0.00 66.41 64.87 3cf8 h THR 84 Cb 0.40 1.63 -0.03 0.00 -1.73 0.00 0.00 68.15 68.43 3cf8 h THR 84 CO 0.05 0.20 0.31 0.28 -0.25 0.00 0.00 175.52 176.11 3cf8 h SER 85 N 0.00 0.68 0.14 5.36 0.02 -1.11 0.16 113.55 118.80 3cf8 h SER 85 Ca -0.00 -0.08 -0.19 0.00 -0.84 0.00 0.00 61.79 60.68 3cf8 h SER 85 Cb 0.62 -0.17 0.02 0.00 0.14 0.00 0.00 62.40 63.01 3cf8 h SER 85 CO 0.03 0.56 -0.85 -0.07 -1.14 0.00 0.00 176.83 175.35 3cf8 h LEU 86 N 0.74 0.47 -0.79 5.07 3.38 -1.31 -3.42 115.31 119.45 3cf8 h LEU 86 Ca 0.20 -0.95 0.00 0.00 0.09 0.00 0.00 57.88 57.22 3cf8 h LEU 86 Cb 0.02 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3cf8 h LEU 86 CO -0.03 1.41 0.00 0.79 0.09 0.00 0.00 178.44 180.70 3cf8 n TRP 87 N -4.11 0.00 -4.79 1.13 8.01 -0.27 -5.13 117.44 112.29 3cf8 n TRP 87 Ca -0.14 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.05 3cf8 n TRP 87 Cb 0.83 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.13 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 0.07 0.45 3.57 6.99 0.00 0.56 -4.17 105.19 112.66 3cf8 n GLY 88 Ca 0.00 -0.91 -0.40 0.00 0.00 0.00 0.00 46.02 44.71 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 2.52 -0.43 1.61 5.36 -1.26 -4.38 117.98 121.40 3cf8 s PHE 89 Ca 0.00 -0.90 0.02 0.00 -0.96 0.00 0.00 56.93 55.09 3cf8 s PHE 89 Cb 0.00 -4.64 0.13 0.00 -0.34 0.00 0.00 43.02 38.17 3cf8 s PHE 89 CO 0.00 -1.86 0.23 0.34 -1.46 0.00 0.00 175.22 172.47 3cf8 s ASP 90 N 5.07 3.68 0.31 6.13 -1.08 -1.26 -4.99 116.67 124.54 3cf8 s ASP 90 Ca 0.51 -2.56 0.04 0.00 -0.52 0.00 0.00 52.55 50.02 3cf8 s ASP 90 Cb 0.01 -1.03 0.66 0.00 -1.46 0.00 0.00 42.92 41.10 3cf8 s ASP 90 CO -0.03 -0.28 1.86 -0.65 0.52 0.00 0.00 175.17 176.59 3cf8 h PRO 91 N 6.82 0.85 0.39 4.34 0.11 -1.91 -1.01 132.00 141.58 3cf8 h PRO 91 Ca -0.02 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 3cf8 h PRO 91 Cb 0.93 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3cf8 h PRO 91 CO 0.48 0.56 -0.19 0.93 -0.21 0.00 0.00 178.00 179.57 3cf8 h GLU 92 N 0.87 -0.51 -0.36 1.05 5.08 -1.94 -2.95 114.58 115.83 3cf8 h GLU 92 Ca 0.47 0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.78 3cf8 h GLU 92 Cb 0.56 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 3cf8 h GLU 92 CO -0.23 -0.33 -0.11 0.82 -1.00 0.00 0.00 179.01 178.16 3cf8 h ILE 93 N -0.54 1.24 -1.00 3.13 5.03 -1.96 -3.01 117.51 120.40 3cf8 h ILE 93 Ca -0.05 -1.08 0.21 0.00 -0.12 0.00 0.00 64.86 63.82 3cf8 h ILE 93 Cb 0.41 1.09 -0.11 0.00 -3.03 0.00 0.00 36.82 35.18 3cf8 h ILE 93 CO 0.09 0.36 0.61 0.00 -0.68 0.00 0.00 178.15 178.53 3cf8 h ALA 94 N 1.31 1.75 0.00 1.87 0.00 -1.04 0.93 119.26 124.08 3cf8 h ALA 94 Ca 0.10 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3cf8 h ALA 94 Cb 0.53 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3cf8 h ALA 94 CO 0.03 -0.15 0.00 0.87 0.00 0.00 0.00 179.25 180.00 3cf8 h LYS 95 N 0.68 0.00 -0.02 0.00 1.57 -1.38 -2.95 116.57 114.48 3cf8 h LYS 95 Ca 0.60 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.38 3cf8 h LYS 95 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 3cf8 h LYS 95 CO -0.40 0.00 -0.27 0.25 -0.57 0.00 0.00 179.45 178.46 3cf8 n THR 96 N -2.47 0.00 -4.40 -0.16 -2.24 0.30 -4.82 114.28 100.50 3cf8 n THR 96 Ca 0.02 -0.29 -0.28 0.00 -2.27 0.00 0.00 64.05 61.23 3cf8 n THR 96 Cb 0.28 1.06 -0.13 0.00 -2.10 0.00 0.00 70.33 69.45 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 -2.31 1.44 -0.09 -0.78 -0.14 -1.10 0.24 119.74 117.00 3cf8 s LYS 97 Ca 0.24 -1.40 0.04 0.00 -1.36 0.00 0.00 55.97 53.49 3cf8 s LYS 97 Cb 0.19 -1.89 0.00 0.00 -1.68 0.00 0.00 37.83 34.46 3cf8 s LYS 97 CO 0.47 0.44 -0.21 0.42 -0.76 0.00 0.00 175.35 175.71 3cf8 s ILE 98 N -1.23 1.80 -0.41 2.17 1.01 0.13 -4.61 121.20 120.07 3cf8 s ILE 98 Ca 0.16 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 3cf8 s ILE 98 Cb -0.09 -1.57 0.07 0.00 0.01 0.00 0.00 42.46 40.88 3cf8 s ILE 98 CO 0.07 0.50 0.23 -0.69 0.00 0.00 0.00 174.94 175.06 3cf8 s VAL 99 N 0.39 4.11 -0.10 2.92 1.01 -1.26 0.02 120.40 127.49 3cf8 s VAL 99 Ca -0.17 -1.39 -0.01 0.00 0.00 0.00 0.00 61.98 60.41 3cf8 s VAL 99 Cb -0.17 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 3cf8 s VAL 99 CO 0.07 -0.47 -0.04 -0.72 0.00 0.00 0.00 175.10 173.94 3cf8 s TYR 100 N 1.41 3.02 -0.21 5.22 1.13 -0.62 -4.96 117.35 122.34 3cf8 s TYR 100 Ca 0.03 -0.02 -0.22 0.00 -1.41 0.00 0.00 57.07 55.45 3cf8 s TYR 100 Cb -0.22 -1.80 -0.02 0.00 -1.10 0.00 0.00 41.96 38.82 3cf8 s TYR 100 CO 0.02 0.27 0.68 -0.06 -2.51 0.00 0.00 175.55 173.94 3cf8 s PHE 101 N -0.51 3.35 -0.17 -3.49 0.40 -1.26 -0.95 117.98 115.35 3cf8 s PHE 101 Ca 0.08 0.97 -0.23 0.00 -0.60 0.00 0.00 56.93 57.14 3cf8 s PHE 101 Cb -0.12 -2.86 -0.21 0.00 0.51 0.00 0.00 43.02 40.34 3cf8 s PHE 101 CO 0.02 -0.24 0.41 0.52 0.70 0.00 0.00 175.22 176.63 3cf8 h MET 102 N 7.58 0.00 -4.91 0.44 2.86 -1.48 -3.49 114.93 115.94 3cf8 h MET 102 Ca -0.29 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.05 3cf8 h MET 102 Cb 1.13 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.63 3cf8 h MET 102 CO 0.79 0.92 -0.72 0.95 1.06 0.00 0.00 176.91 179.92 3cf8 s THR 103 N -2.27 0.94 -0.00 2.22 -4.23 -1.16 -5.02 115.64 106.12 3cf8 s THR 103 Ca -0.23 -1.83 0.01 0.00 -1.18 0.00 0.00 61.69 58.45 3cf8 s THR 103 Cb 0.02 -1.58 -0.00 0.00 1.34 0.00 0.00 72.50 72.28 3cf8 s THR 103 CO 0.60 -0.69 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.33 3cf8 s ILE 104 N -3.00 0.20 0.17 2.99 1.01 -1.26 -2.02 121.20 119.29 3cf8 s ILE 104 Ca 0.10 -0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.47 3cf8 s ILE 104 Cb 0.01 -0.18 0.02 0.00 0.01 0.00 0.00 42.46 42.32 3cf8 s ILE 104 CO -0.01 0.04 0.43 -0.62 0.00 0.00 0.00 174.94 174.78 3cf8 s ASP 105 N -0.10 -0.18 -1.43 3.58 3.68 0.48 -4.96 116.67 117.73 3cf8 s ASP 105 Ca 0.01 -0.52 -0.08 0.00 2.13 0.00 0.00 52.55 54.09 3cf8 s ASP 105 Cb -0.01 0.51 0.01 0.00 -1.45 0.00 0.00 42.92 41.99 3cf8 s ASP 105 CO -0.00 -0.96 1.00 0.29 0.13 0.00 0.00 175.17 175.63 3cf8 n LYS 106 N -0.28 -6.89 -2.93 4.34 4.76 -1.26 -0.20 118.16 115.70 3cf8 n LYS 106 Ca -0.11 0.84 -0.41 0.00 -2.87 0.00 0.00 58.31 55.76 3cf8 n LYS 106 Cb 0.63 -5.83 -0.04 0.00 -1.84 0.00 0.00 35.03 27.95 3cf8 n LYS 106 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3cf8 s VAL 107 N -3.27 4.97 -0.04 -0.18 1.01 -1.26 -3.93 120.40 117.69 3cf8 s VAL 107 Ca 0.51 1.62 0.01 0.00 0.00 0.00 0.00 61.98 64.13 3cf8 s VAL 107 Cb -0.23 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.05 3cf8 s VAL 107 CO 0.63 0.18 -0.05 -0.54 0.00 0.00 0.00 175.10 175.31 3cf8 s LYS 108 N 1.18 0.87 -0.25 2.72 1.02 -0.65 -4.98 119.74 119.65 3cf8 s LYS 108 Ca 0.41 -0.13 -0.09 0.00 0.02 0.00 0.00 55.97 56.18 3cf8 s LYS 108 Cb -0.18 -0.85 -0.04 0.00 -0.52 0.00 0.00 37.83 36.24 3cf8 s LYS 108 CO 0.19 -0.06 0.11 -0.06 -0.92 0.00 0.00 175.35 174.61 3cf8 s PHE 109 N 0.83 3.17 -0.16 3.18 0.40 -1.26 -1.54 117.98 122.58 3cf8 s PHE 109 Ca -0.12 -0.13 -0.02 0.00 -0.60 0.00 0.00 56.93 56.06 3cf8 s PHE 109 Cb -0.14 -2.26 -0.09 0.00 0.51 0.00 0.00 43.02 41.03 3cf8 s PHE 109 CO 0.01 -0.19 -0.17 0.54 0.70 0.00 0.00 175.22 176.11 3cf8 n ARG 110 N 4.71 0.39 -4.38 0.44 1.74 0.79 -4.99 116.66 115.36 3cf8 n ARG 110 Ca -0.15 0.12 -0.20 0.00 -0.77 0.00 0.00 57.85 56.84 3cf8 n ARG 110 Cb 0.52 -1.25 -0.16 0.00 -1.02 0.00 0.00 32.46 30.56 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 -2.32 0.77 0.33 0.55 1.01 -1.06 -5.04 121.20 115.45 3cf8 s ILE 111 Ca -0.22 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 3cf8 s ILE 111 Cb 0.07 -0.69 -0.10 0.00 0.01 0.00 0.00 42.46 41.74 3cf8 s ILE 111 CO 0.35 0.24 1.31 -2.84 0.00 0.00 0.00 174.94 174.00 3cf8 s PRO 112 N 0.23 4.35 -0.18 2.79 0.02 -1.26 -4.79 135.00 136.16 3cf8 s PRO 112 Ca -0.04 2.21 -0.08 0.00 0.02 0.00 0.00 61.00 63.12 3cf8 s PRO 112 Cb -0.09 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.31 3cf8 s PRO 112 CO 0.01 -0.19 0.08 0.08 -0.33 0.00 0.00 177.00 176.64 3cf8 s VAL 113 N -1.07 4.95 0.16 3.83 1.01 -1.26 -5.03 120.40 122.99 3cf8 s VAL 113 Ca 0.49 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.54 3cf8 s VAL 113 Cb -0.40 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 3cf8 s VAL 113 CO 0.52 0.46 -0.08 0.42 0.00 0.00 0.00 175.10 176.42 3cf8 s THR 114 N 0.32 1.14 0.12 3.92 -4.23 -1.26 0.10 115.64 115.76 3cf8 s THR 114 Ca 0.05 -2.06 -0.35 0.00 -1.18 0.00 0.00 61.69 58.15 3cf8 s THR 114 Cb -0.12 -1.93 -0.17 0.00 1.34 0.00 0.00 72.50 71.62 3cf8 s THR 114 CO -0.00 -0.68 1.11 -2.65 -0.54 0.00 0.00 174.62 171.86 3cf8 n PRO 115 N -0.23 0.79 0.00 3.99 -0.02 -1.26 -2.01 135.00 136.26 3cf8 n PRO 115 Ca -0.09 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3cf8 n PRO 115 Cb 0.61 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 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 2.00 1.65 3.77 -1.23 0.00 0.26 -4.91 105.19 106.73 3cf8 n GLY 116 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.67 7.45 -0.54 1.61 -0.00 -0.85 -4.90 116.67 117.77 3cf8 s ASP 117 Ca 0.00 1.74 -0.19 0.00 -0.00 0.00 0.00 52.55 54.09 3cf8 s ASP 117 Cb 0.00 -2.53 0.07 0.00 -0.00 0.00 0.00 42.92 40.46 3cf8 s ASP 117 CO 0.00 0.17 0.66 -0.60 -0.00 0.00 0.00 175.17 175.40 3cf8 s ARG 118 N -1.26 3.10 -0.57 8.23 3.52 -1.26 -0.59 118.95 130.11 3cf8 s ARG 118 Ca 0.39 -1.01 -0.25 0.00 -0.13 0.00 0.00 55.73 54.73 3cf8 s ARG 118 Cb -0.23 -4.15 0.04 0.00 -1.56 0.00 0.00 34.95 29.05 3cf8 s ARG 118 CO 0.28 -1.33 1.00 -1.17 -0.81 0.00 0.00 175.30 173.26 3cf8 s LEU 119 N 2.70 3.97 -0.20 -0.88 2.96 0.72 -4.48 118.68 123.47 3cf8 s LEU 119 Ca 0.14 -0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 53.61 3cf8 s LEU 119 Cb -0.20 -2.84 -0.05 0.00 0.50 0.00 0.00 46.19 43.60 3cf8 s LEU 119 CO 0.10 -1.32 0.20 -0.70 -1.32 0.00 0.00 176.35 173.32 3cf8 s GLU 120 N 4.21 4.18 -0.23 1.98 2.12 -0.18 -0.31 118.70 130.46 3cf8 s GLU 120 Ca 0.32 -0.12 -0.08 0.00 0.36 0.00 0.00 54.97 55.45 3cf8 s GLU 120 Cb -0.12 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 3cf8 s GLU 120 CO 0.19 0.20 0.08 0.71 -0.54 0.00 0.00 175.26 175.90 3cf8 s TYR 121 N 0.63 3.13 -0.29 5.30 1.51 0.32 0.10 117.35 128.06 3cf8 s TYR 121 Ca 0.11 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 3cf8 s TYR 121 Cb -0.12 -2.21 0.06 0.00 -0.11 0.00 0.00 41.96 39.58 3cf8 s TYR 121 CO 0.02 -0.21 -0.03 -1.01 -1.11 0.00 0.00 175.55 173.20 3cf8 s HIS 122 N 1.32 3.31 -0.03 2.71 3.76 -0.19 -1.22 115.29 124.95 3cf8 s HIS 122 Ca 0.05 -2.13 0.06 0.00 -0.15 0.00 0.00 55.06 52.89 3cf8 s HIS 122 Cb -0.15 -2.13 -0.01 0.00 1.11 0.00 0.00 32.58 31.40 3cf8 s HIS 122 CO 0.04 -0.85 -0.22 -0.51 -0.85 0.00 0.00 174.74 172.35 3cf8 s LEU 123 N 1.17 2.03 0.21 0.89 2.01 -0.82 -0.96 118.68 123.21 3cf8 s LEU 123 Ca -0.05 -0.41 0.10 0.00 0.01 0.00 0.00 54.13 53.78 3cf8 s LEU 123 Cb -0.20 -1.15 -0.04 0.00 0.01 0.00 0.00 46.19 44.81 3cf8 s LEU 123 CO -0.03 0.25 -0.16 -1.83 1.01 0.00 0.00 176.35 175.60 3cf8 s GLU 124 N -0.41 1.82 -0.36 1.70 -1.05 0.69 -0.96 118.70 120.14 3cf8 s GLU 124 Ca 0.06 -1.47 -0.29 0.00 -0.15 0.00 0.00 54.97 53.11 3cf8 s GLU 124 Cb -0.10 -1.97 0.01 0.00 -0.44 0.00 0.00 34.13 31.63 3cf8 s GLU 124 CO 0.00 0.39 1.22 0.08 0.95 0.00 0.00 175.26 177.91 3cf8 s VAL 125 N -1.92 4.22 -0.10 1.83 1.01 0.10 -1.28 120.40 124.26 3cf8 s VAL 125 Ca 0.25 1.35 -0.27 0.00 0.00 0.00 0.00 61.98 63.31 3cf8 s VAL 125 Cb -0.07 -4.33 -0.26 0.00 0.00 0.00 0.00 36.38 31.72 3cf8 s VAL 125 CO 0.14 -0.63 0.88 -0.07 0.00 0.00 0.00 175.10 175.42 3cf8 h LEU 126 N 10.91 0.11 -7.00 3.92 3.38 -0.99 -3.48 115.31 122.17 3cf8 h LEU 126 Ca -0.24 -0.91 -0.00 0.00 0.09 0.00 0.00 57.88 56.82 3cf8 h LEU 126 Cb 1.08 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 3cf8 h LEU 126 CO 1.06 1.01 0.26 -1.59 0.09 0.00 0.00 178.44 179.27 3cf8 s LYS 127 N -2.60 1.18 -0.12 1.13 -2.85 -1.01 -5.04 119.74 110.44 3cf8 s LYS 127 Ca -0.17 -0.38 -0.15 0.00 -1.00 0.00 0.00 55.97 54.27 3cf8 s LYS 127 Cb -0.01 0.55 0.04 0.00 -2.06 0.00 0.00 37.83 36.34 3cf8 s LYS 127 CO 0.72 -0.51 0.39 -3.38 0.10 0.00 0.00 175.35 172.68 3cf8 s HIS 128 N -3.42 -0.40 -0.18 1.78 -3.43 -1.26 -0.09 115.29 108.30 3cf8 s HIS 128 Ca 0.01 0.92 -0.04 0.00 -0.80 0.00 0.00 55.06 55.14 3cf8 s HIS 128 Cb -0.01 0.15 0.09 0.00 -1.43 0.00 0.00 32.58 31.38 3cf8 s HIS 128 CO -0.10 -0.26 0.25 0.21 -2.00 0.00 0.00 174.74 172.83 3cf8 s LYS 129 N -0.13 0.18 7.88 -0.38 2.20 -0.58 -5.03 119.74 123.89 3cf8 s LYS 129 Ca -0.03 0.42 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 3cf8 s LYS 129 Cb -0.03 -0.72 0.00 0.00 -1.51 0.00 0.00 37.83 35.57 3cf8 s LYS 129 CO 0.02 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 174.89 3cf8 n GLY 130 N 5.33 3.45 1.01 5.54 0.00 -1.26 -2.46 105.19 116.81 3cf8 n GLY 130 Ca -0.05 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 45.97 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 13.30 2.28 -3.61 1.61 2.81 -1.26 -4.87 117.12 127.39 3cf8 n MET 131 Ca 0.00 -2.09 -0.38 0.00 -1.81 0.00 0.00 57.70 53.43 3cf8 n MET 131 Cb 0.00 -1.45 -0.11 0.00 -0.71 0.00 0.00 33.22 30.94 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 -1.48 5.20 -0.13 2.02 1.01 -1.03 -0.53 121.20 126.25 3cf8 s ILE 132 Ca 0.33 0.12 -0.00 0.00 0.00 0.00 0.00 60.65 61.10 3cf8 s ILE 132 Cb 0.20 -3.48 0.02 0.00 0.01 0.00 0.00 42.46 39.22 3cf8 s ILE 132 CO 0.28 0.25 -0.11 0.26 0.00 0.00 0.00 174.94 175.62 3cf8 s TRP 133 N 1.74 1.85 -0.34 3.97 0.52 0.29 -1.52 118.94 125.46 3cf8 s TRP 133 Ca 0.07 -1.00 -0.11 0.00 0.02 0.00 0.00 56.10 55.08 3cf8 s TRP 133 Cb -0.16 -1.43 0.00 0.00 -1.15 0.00 0.00 33.47 30.73 3cf8 s TRP 133 CO 0.10 -0.60 0.18 -0.65 0.02 0.00 0.00 176.95 176.01 3cf8 s GLN 134 N 1.59 3.19 0.24 4.98 -0.21 0.87 -0.16 119.66 130.16 3cf8 s GLN 134 Ca 0.05 -0.83 0.10 0.00 0.02 0.00 0.00 55.36 54.70 3cf8 s GLN 134 Cb -0.13 -3.66 -0.04 0.00 1.00 0.00 0.00 33.01 30.18 3cf8 s GLN 134 CO -0.10 -0.51 -0.05 0.14 -2.12 0.00 0.00 175.29 172.65 3cf8 s VAL 135 N 1.61 3.26 0.18 1.09 -7.23 0.99 -0.32 120.40 120.00 3cf8 s VAL 135 Ca 0.04 -1.91 -0.23 0.00 -1.81 0.00 0.00 61.98 58.08 3cf8 s VAL 135 Cb -0.18 -2.71 0.06 0.00 0.56 0.00 0.00 36.38 34.11 3cf8 s VAL 135 CO 0.07 -0.31 0.62 -0.83 -0.31 0.00 0.00 175.10 174.35 3cf8 s GLY 136 N -3.43 -0.52 0.00 2.32 0.00 -0.41 -0.27 107.32 105.01 3cf8 s GLY 136 Ca 0.30 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.36 3cf8 s GLY 136 CO 0.18 0.11 0.00 0.61 0.00 0.00 0.00 173.10 174.00 3cf8 n GLY 137 N -0.39 -0.49 3.11 0.20 0.00 -0.84 -0.22 105.19 106.55 3cf8 n GLY 137 Ca -0.15 -0.61 -0.08 0.00 0.00 0.00 0.00 46.02 45.18 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 0.30 -0.09 2.61 -4.23 -0.13 -2.09 115.64 108.00 3cf8 s THR 138 Ca 0.00 -1.85 -0.01 0.00 -1.18 0.00 0.00 61.69 58.65 3cf8 s THR 138 Cb 0.00 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 72.18 3cf8 s THR 138 CO 0.00 -0.90 -0.03 0.00 -0.54 0.00 0.00 174.62 173.15 3cf8 s ALA 139 N -3.88 3.12 0.00 3.99 0.00 0.33 -1.03 121.76 124.30 3cf8 s ALA 139 Ca 0.10 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.25 3cf8 s ALA 139 Cb 0.07 -1.40 -0.01 0.00 0.00 0.00 0.00 23.12 21.79 3cf8 s ALA 139 CO -0.07 0.52 -0.08 -0.65 0.00 0.00 0.00 175.76 175.48 3cf8 s GLN 140 N -0.64 0.61 -0.15 0.00 -0.21 0.11 -0.38 119.66 119.00 3cf8 s GLN 140 Ca 0.10 -0.34 0.00 0.00 0.02 0.00 0.00 55.36 55.14 3cf8 s GLN 140 Cb -0.12 -0.57 0.03 0.00 1.00 0.00 0.00 33.01 33.35 3cf8 s GLN 140 CO 0.02 0.15 -0.10 0.08 -2.12 0.00 0.00 175.29 173.33 3cf8 s VAL 141 N -0.33 1.34 -1.41 1.09 1.01 -0.54 -1.01 120.40 120.54 3cf8 s VAL 141 Ca 0.02 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.32 3cf8 s VAL 141 Cb -0.04 -1.38 0.03 0.00 0.00 0.00 0.00 36.38 35.00 3cf8 s VAL 141 CO -0.00 0.30 0.73 -0.67 0.00 0.00 0.00 175.10 175.45 3cf8 n ASP 142 N 4.82 -2.13 0.00 3.32 2.03 -1.26 -2.23 116.55 121.10 3cf8 n ASP 142 Ca -0.14 -0.86 0.00 0.00 0.52 0.00 0.00 54.79 54.31 3cf8 n ASP 142 Cb 0.49 -3.73 0.00 0.00 -0.72 0.00 0.00 41.12 37.16 3cf8 n ASP 142 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3cf8 n GLY 143 N -1.68 2.35 3.89 0.27 0.00 -1.26 -5.03 105.19 103.73 3cf8 n GLY 143 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.33 3.43 -0.18 1.61 3.01 -0.95 -5.06 119.74 121.27 3cf8 s LYS 144 Ca 0.00 -0.24 -0.29 0.00 -1.01 0.00 0.00 55.97 54.43 3cf8 s LYS 144 Cb 0.00 -3.13 -0.02 0.00 -1.01 0.00 0.00 37.83 33.67 3cf8 s LYS 144 CO 0.00 0.72 1.36 0.08 0.51 0.00 0.00 175.35 178.02 3cf8 s VAL 145 N -1.19 4.10 -0.11 3.17 1.01 -1.26 -1.47 120.40 124.64 3cf8 s VAL 145 Ca 0.22 1.30 0.20 0.00 0.00 0.00 0.00 61.98 63.70 3cf8 s VAL 145 Cb -0.12 -3.92 -0.29 0.00 0.00 0.00 0.00 36.38 32.05 3cf8 s VAL 145 CO 0.12 -0.20 0.27 1.33 0.00 0.00 0.00 175.10 176.62 3cf8 n VAL 146 N 5.64 0.68 -3.61 2.92 0.24 0.49 -4.50 118.33 120.19 3cf8 n VAL 146 Ca 0.15 -0.67 -0.10 0.00 -2.04 0.00 0.00 64.34 61.68 3cf8 n VAL 146 Cb 0.45 -0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 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 -2.99 -1.18 0.03 2.33 0.00 -1.11 -0.15 121.76 118.69 3cf8 s ALA 147 Ca -0.09 0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.87 3cf8 s ALA 147 Cb 0.10 0.82 -0.00 0.00 0.00 0.00 0.00 23.12 24.04 3cf8 s ALA 147 CO 0.86 -0.76 0.13 -1.83 0.00 0.00 0.00 175.76 174.15 3cf8 s GLU 148 N -3.81 0.58 -0.09 0.00 -1.05 -0.59 -0.51 118.70 113.23 3cf8 s GLU 148 Ca 0.05 -0.63 -0.30 0.00 -0.15 0.00 0.00 54.97 53.94 3cf8 s GLU 148 Cb -0.00 0.23 0.10 0.00 -0.44 0.00 0.00 34.13 34.02 3cf8 s GLU 148 CO -0.08 -0.15 0.86 0.00 0.95 0.00 0.00 175.26 176.83 3cf8 s ALA 149 N -2.25 -1.85 -0.00 -0.84 0.00 -0.89 -1.63 121.76 114.31 3cf8 s ALA 149 Ca -0.08 1.36 0.07 0.00 0.00 0.00 0.00 51.96 53.31 3cf8 s ALA 149 Cb -0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 3cf8 s ALA 149 CO -0.03 -0.41 -0.20 -1.21 0.00 0.00 0.00 175.76 173.92 3cf8 s GLU 150 N -1.55 2.17 -0.00 0.00 2.02 0.72 -1.99 118.70 120.07 3cf8 s GLU 150 Ca -0.04 -0.90 -0.02 0.00 0.02 0.00 0.00 54.97 54.03 3cf8 s GLU 150 Cb -0.00 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 32.04 3cf8 s GLU 150 CO 0.02 0.57 0.03 -0.51 0.02 0.00 0.00 175.26 175.39 3cf8 s LEU 151 N -1.00 1.94 -0.11 1.80 1.02 0.62 -0.39 118.68 122.56 3cf8 s LEU 151 Ca 0.12 -0.12 0.02 0.00 0.02 0.00 0.00 54.13 54.17 3cf8 s LEU 151 Cb -0.10 0.18 0.01 0.00 0.02 0.00 0.00 46.19 46.30 3cf8 s LEU 151 CO 0.02 -0.13 -0.16 -0.75 0.02 0.00 0.00 176.35 175.35 3cf8 s LYS 152 N -0.56 2.28 0.12 1.70 2.20 -0.86 -0.00 119.74 124.61 3cf8 s LYS 152 Ca -0.06 -0.58 0.09 0.00 -0.36 0.00 0.00 55.97 55.06 3cf8 s LYS 152 Cb -0.04 -1.94 -0.04 0.00 -1.51 0.00 0.00 37.83 34.30 3cf8 s LYS 152 CO -0.00 -0.08 -0.18 0.00 -0.36 0.00 0.00 175.35 174.73 3cf8 s ALA 153 N 1.02 2.69 -0.13 3.13 0.00 0.77 -1.11 121.76 128.13 3cf8 s ALA 153 Ca -0.06 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.57 3cf8 s ALA 153 Cb -0.15 -0.65 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 3cf8 s ALA 153 CO -0.02 0.59 -0.19 1.41 0.00 0.00 0.00 175.76 177.55 3cf8 s MET 154 N -2.14 3.15 -0.19 0.00 1.75 -0.13 -0.55 119.30 121.20 3cf8 s MET 154 Ca 0.18 -0.80 -0.19 0.00 -1.25 0.00 0.00 55.69 53.63 3cf8 s MET 154 Cb -0.11 -2.50 -0.03 0.00 2.84 0.00 0.00 34.83 35.04 3cf8 s MET 154 CO 0.10 0.08 0.55 0.42 -0.65 0.00 0.00 175.02 175.53 3cf8 s ILE 155 N 0.62 5.08 0.26 10.11 1.01 0.31 -1.59 121.20 137.00 3cf8 s ILE 155 Ca -0.10 1.04 0.04 0.00 0.00 0.00 0.00 60.65 61.62 3cf8 s ILE 155 Cb -0.16 -3.88 -0.06 0.00 0.01 0.00 0.00 42.46 38.38 3cf8 s ILE 155 CO 0.03 0.17 0.02 0.00 0.00 0.00 0.00 174.94 175.15 3cf8 s ALA 156 N 1.62 1.99 0.01 9.38 0.00 0.10 -4.82 121.76 130.04 3cf8 s ALA 156 Ca 0.26 -1.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.06 3cf8 s ALA 156 Cb -0.16 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 3cf8 s ALA 156 CO 0.10 -0.27 1.12 -2.00 0.00 0.00 0.00 175.76 174.71 3cf8 s GLU 157 N -3.87 4.46 0.34 0.00 2.56 -1.26 0.20 118.70 121.12 3cf8 s GLU 157 Ca 0.31 1.61 -0.26 0.00 0.00 0.00 0.00 54.97 56.64 3cf8 s GLU 157 Cb 0.06 -3.44 -0.10 0.00 2.00 0.00 0.00 34.13 32.66 3cf8 s GLU 157 CO 0.11 -0.23 0.99 0.50 -0.56 0.00 0.00 175.26 176.07 3cf8 s ARG 158 N 1.34 4.48 0.00 4.30 3.52 0.14 -4.71 118.95 128.01 3cf8 s ARG 158 Ca 0.55 1.44 0.05 0.00 -0.13 0.00 0.00 55.73 57.64 3cf8 s ARG 158 Cb -0.25 -2.78 0.04 0.00 -1.56 0.00 0.00 34.95 30.39 3cf8 s ARG 158 CO 0.27 0.16 0.65 -1.91 -0.81 0.00 0.00 175.30 173.65