#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bfi s ASP 2 N 0.00 3.82 -0.33 1.62 1.47 -1.26 -5.00 116.67 117.00 1bfi s ASP 2 Ca 0.00 0.96 -0.19 0.00 1.18 0.00 0.00 52.55 54.50 1bfi s ASP 2 Cb 0.00 -1.54 -0.01 0.00 -0.34 0.00 0.00 42.92 41.03 1bfi s ASP 2 CO 0.00 -2.35 0.58 -0.76 0.68 0.00 0.00 175.17 173.31 1bfi s LEU 3 N -5.91 4.23 0.46 2.11 1.43 -1.26 -4.91 118.68 114.83 1bfi s LEU 3 Ca 0.63 0.20 0.19 0.00 -1.03 0.00 0.00 54.13 54.13 1bfi s LEU 3 Cb -0.14 -2.71 1.06 0.00 0.03 0.00 0.00 46.19 44.43 1bfi s LEU 3 CO 0.53 -0.49 1.54 -0.65 0.23 0.00 0.00 176.35 177.50 1bfi h PRO 4 N 8.34 0.00 0.00 1.29 0.11 -1.95 -0.02 132.00 139.77 1bfi h PRO 4 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1bfi h PRO 4 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1bfi h PRO 4 CO 0.79 0.00 0.00 0.45 -0.21 0.00 0.00 178.00 179.03 1bfi h HIS 5 N 0.00 0.00 -0.66 0.65 3.86 -1.98 -2.60 115.15 114.42 1bfi h HIS 5 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1bfi h HIS 5 Cb 0.63 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.07 1bfi h HIS 5 CO 0.00 0.00 0.42 0.45 0.86 0.00 0.00 177.93 179.66 1bfi h HIS 6 N 0.00 0.84 -3.50 2.45 3.86 -1.40 -3.39 115.15 114.00 1bfi h HIS 6 Ca 0.00 0.01 -0.60 0.00 -1.16 0.00 0.00 60.37 58.62 1bfi h HIS 6 Cb 0.36 -0.28 -0.11 0.00 1.06 0.00 0.00 27.41 28.43 1bfi h HIS 6 CO 0.00 0.54 -0.05 0.34 0.86 0.00 0.00 177.93 179.61 1bfi s ASP 7 N -6.45 6.51 0.42 2.45 -1.08 -0.98 -4.94 116.67 112.60 1bfi s ASP 7 Ca -0.10 0.62 0.13 0.00 -0.52 0.00 0.00 52.55 52.67 1bfi s ASP 7 Cb 0.18 -2.28 0.90 0.00 -1.46 0.00 0.00 42.92 40.25 1bfi s ASP 7 CO 0.77 -0.20 1.94 -0.08 0.52 0.00 0.00 175.17 178.13 1bfi h GLU 8 N 7.59 0.06 -0.47 4.34 4.81 -1.85 -2.69 114.58 126.37 1bfi h GLU 8 Ca -0.33 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.87 1bfi h GLU 8 Cb 1.15 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1bfi h GLU 8 CO 0.73 0.26 0.23 -0.22 -0.73 0.00 0.00 179.01 179.28 1bfi h LYS 9 N 0.06 0.66 -1.00 1.92 3.11 -1.92 1.37 116.57 120.76 1bfi h LYS 9 Ca 0.01 -0.07 0.18 0.00 -2.81 0.00 0.00 60.65 57.96 1bfi h LYS 9 Cb 0.39 -0.13 -0.10 0.00 -1.00 0.00 0.00 32.23 31.39 1bfi h LYS 9 CO 0.03 0.51 0.62 1.79 -2.81 0.00 0.00 179.45 179.59 1bfi h THR 10 N 0.66 0.73 0.00 1.00 1.35 -1.61 -3.10 112.91 111.95 1bfi h THR 10 Ca 0.17 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1bfi h THR 10 Cb 0.07 -0.13 0.00 0.00 -1.73 0.00 0.00 68.15 66.36 1bfi h THR 10 CO -0.02 0.14 -1.07 -2.67 -0.25 0.00 0.00 175.52 171.65 1bfi n TRP 11 N -4.74 0.00 -3.14 4.73 4.27 -1.03 0.13 117.44 117.65 1bfi n TRP 11 Ca 0.23 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.44 1bfi n TRP 11 Cb 0.55 -0.07 -0.06 0.00 -1.36 0.00 0.00 31.31 30.37 1bfi n TRP 11 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 1bfi s ASN 12 N -2.29 6.67 -0.02 -0.67 3.84 0.47 0.25 114.94 123.19 1bfi s ASN 12 Ca -0.01 0.82 0.21 0.00 0.21 0.00 0.00 52.86 54.08 1bfi s ASN 12 Cb 0.02 -2.34 -0.29 0.00 -0.55 0.00 0.00 41.25 38.09 1bfi s ASN 12 CO 0.13 -0.25 0.63 1.33 -2.79 0.00 0.00 177.10 176.14 1bfi n VAL 13 N 4.64 0.00 -4.06 -5.21 0.24 -0.94 -4.43 118.33 108.57 1bfi n VAL 13 Ca -0.02 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1bfi n VAL 13 Cb 0.50 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 1bfi n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bfi n GLY 14 N 1.37 0.37 3.56 7.63 0.00 -1.26 -4.58 105.19 112.28 1bfi n GLY 14 Ca -0.01 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 1bfi n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bfi s SER 15 N -4.00 6.35 -0.02 1.61 0.15 -1.26 -4.41 113.70 112.12 1bfi s SER 15 Ca 0.00 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.51 1bfi s SER 15 Cb 0.00 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.80 1bfi s SER 15 CO 0.00 -1.50 -0.05 -0.55 1.20 0.00 0.00 173.24 172.34 1bfi s SER 16 N 3.13 0.75 0.43 5.45 0.15 -1.26 -5.13 113.70 117.22 1bfi s SER 16 Ca 0.38 -0.11 -0.25 0.00 0.70 0.00 0.00 55.95 56.67 1bfi s SER 16 Cb -0.09 -0.23 -0.08 0.00 -1.71 0.00 0.00 66.02 63.91 1bfi s SER 16 CO 0.21 0.01 1.32 0.20 1.20 0.00 0.00 173.24 176.18 1bfi s ASN 17 N 0.37 6.11 0.42 5.45 0.01 -1.26 -4.88 114.94 121.17 1bfi s ASN 17 Ca -0.04 2.68 0.08 0.00 -0.71 0.00 0.00 52.86 54.87 1bfi s ASN 17 Cb -0.08 -2.64 0.91 0.00 0.41 0.00 0.00 41.25 39.85 1bfi s ASN 17 CO -0.00 -0.99 2.07 0.03 -1.51 0.00 0.00 177.10 176.69 1bfi h ARG 18 N 2.43 0.46 -0.67 -0.60 3.08 -1.99 -0.88 114.38 116.20 1bfi h ARG 18 Ca -0.50 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.53 1bfi h ARG 18 Cb 1.26 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 1bfi h ARG 18 CO 0.62 0.31 0.44 -0.97 -1.07 0.00 0.00 179.97 179.29 1bfi h ASN 19 N 0.47 0.75 -0.30 7.04 -1.24 -2.01 0.65 115.58 120.94 1bfi h ASN 19 Ca 0.13 -0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.09 1bfi h ASN 19 Cb -0.04 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 38.81 1bfi h ASN 19 CO -0.03 0.54 0.11 0.50 -1.29 0.00 0.00 177.43 177.26 1bfi h LYS 20 N 0.89 0.53 -0.48 6.67 3.64 -1.55 -0.79 116.57 125.47 1bfi h LYS 20 Ca 0.25 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1bfi h LYS 20 Cb -0.08 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1bfi h LYS 20 CO -0.07 0.48 0.26 0.00 -2.27 0.00 0.00 179.45 177.85 1bfi h ALA 21 N 1.60 1.55 -0.42 5.00 0.00 -0.13 -1.13 119.26 125.72 1bfi h ALA 21 Ca 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1bfi h ALA 21 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1bfi h ALA 21 CO -0.01 0.38 0.28 0.93 0.00 0.00 0.00 179.25 180.83 1bfi h GLU 22 N 0.67 0.55 -0.57 0.00 5.08 -0.15 2.01 114.58 122.17 1bfi h GLU 22 Ca 0.17 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1bfi h GLU 22 Cb 0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1bfi h GLU 22 CO -0.03 0.37 0.23 -0.91 -1.00 0.00 0.00 179.01 177.67 1bfi h ASN 23 N 0.57 0.78 -0.18 1.42 2.35 -1.27 2.83 115.58 122.07 1bfi h ASN 23 Ca 0.15 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.62 1bfi h ASN 23 Cb -0.06 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1bfi h ASN 23 CO -0.03 0.73 -0.29 -0.07 -1.65 0.00 0.00 177.43 176.12 1bfi h LEU 24 N 0.78 0.69 0.00 1.61 3.38 -0.49 -2.60 115.31 118.68 1bfi h LEU 24 Ca 0.19 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1bfi h LEU 24 Cb 0.20 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1bfi h LEU 24 CO -0.02 0.94 -0.55 -0.07 0.09 0.00 0.00 178.44 178.84 1bfi h LEU 25 N 0.58 0.00 -0.32 1.67 3.38 0.37 -3.09 115.31 117.90 1bfi h LEU 25 Ca 0.07 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1bfi h LEU 25 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1bfi h LEU 25 CO 0.06 0.09 -0.21 0.03 0.09 0.00 0.00 178.44 178.50 1bfi h ARG 26 N 0.00 0.00 -0.25 1.13 3.08 0.54 -2.88 114.38 116.00 1bfi h ARG 26 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bfi h ARG 26 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.81 1bfi h ARG 26 CO 0.00 0.21 0.00 0.41 -1.07 0.00 0.00 179.97 179.52 1bfi n GLY 27 N 0.89 4.06 3.59 0.04 0.00 -1.03 -4.97 105.19 107.78 1bfi n GLY 27 Ca 0.02 -1.04 -0.34 0.00 0.00 0.00 0.00 46.02 44.66 1bfi n GLY 27 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bfi s LYS 28 N -2.81 3.76 0.64 1.61 2.20 -1.09 -5.06 119.74 118.99 1bfi s LYS 28 Ca 0.42 -0.41 -0.07 0.00 -0.36 0.00 0.00 55.97 55.55 1bfi s LYS 28 Cb 0.34 -3.06 0.03 0.00 -1.51 0.00 0.00 37.83 33.62 1bfi s LYS 28 CO 0.09 0.32 0.96 1.03 -0.36 0.00 0.00 175.35 177.38 1bfi s ARG 29 N 0.21 2.68 0.41 4.03 0.52 -1.26 -4.97 118.95 120.56 1bfi s ARG 29 Ca 0.02 -0.04 -0.26 0.00 -0.52 0.00 0.00 55.73 54.92 1bfi s ARG 29 Cb -0.13 -2.21 -0.09 0.00 0.52 0.00 0.00 34.95 33.04 1bfi s ARG 29 CO 0.01 -0.91 1.38 0.34 0.02 0.00 0.00 175.30 176.14 1bfi s ASP 30 N -4.38 6.19 0.00 0.23 -1.08 -1.26 -2.72 116.67 113.65 1bfi s ASP 30 Ca 0.56 2.82 0.00 0.00 -0.52 0.00 0.00 52.55 55.41 1bfi s ASP 30 Cb -0.11 -2.65 0.00 0.00 -1.46 0.00 0.00 42.92 38.70 1bfi s ASP 30 CO 0.46 -0.95 0.00 0.61 0.52 0.00 0.00 175.17 175.81 1bfi n GLY 31 N 0.61 3.20 3.81 2.66 0.00 -1.01 -4.99 105.19 109.47 1bfi n GLY 31 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 1bfi n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bfi s THR 32 N -2.89 5.31 0.25 2.61 2.01 -1.10 -1.83 115.64 120.00 1bfi s THR 32 Ca 0.00 0.47 0.02 0.00 0.31 0.00 0.00 61.69 62.49 1bfi s THR 32 Cb 0.00 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1bfi s THR 32 CO 0.00 0.53 0.17 0.72 -0.69 0.00 0.00 174.62 175.35 1bfi s PHE 33 N -0.50 1.37 0.03 4.92 -0.71 -0.71 -3.03 117.98 119.35 1bfi s PHE 33 Ca 0.17 -1.44 -0.00 0.00 -1.04 0.00 0.00 56.93 54.61 1bfi s PHE 33 Cb -0.13 -0.64 -0.03 0.00 -1.21 0.00 0.00 43.02 41.00 1bfi s PHE 33 CO 0.06 -0.68 -0.03 -0.48 -1.34 0.00 0.00 175.22 172.75 1bfi s LEU 34 N -3.24 2.34 -0.12 -1.99 2.34 0.65 -2.06 118.68 116.60 1bfi s LEU 34 Ca 0.39 -0.70 -0.05 0.00 0.06 0.00 0.00 54.13 53.84 1bfi s LEU 34 Cb 0.06 0.12 -0.04 0.00 -0.56 0.00 0.00 46.19 45.77 1bfi s LEU 34 CO 0.17 -0.41 0.05 -0.69 -1.06 0.00 0.00 176.35 174.40 1bfi s VAL 35 N -2.42 4.68 0.00 1.48 1.01 0.68 0.17 120.40 126.01 1bfi s VAL 35 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1bfi s VAL 35 Cb -0.03 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1bfi s VAL 35 CO -0.04 0.56 0.00 -1.14 0.00 0.00 0.00 175.10 174.48 1bfi n ARG 36 N 2.55 0.00 -2.79 2.72 0.00 0.42 -2.23 116.66 117.32 1bfi n ARG 36 Ca -0.18 0.00 -0.17 0.00 -0.00 0.00 0.00 57.85 57.49 1bfi n ARG 36 Cb 0.53 0.00 0.06 0.00 0.00 0.00 0.00 32.46 33.05 1bfi n ARG 36 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1bfi n GLU 37 N 0.00 0.66 0.00 -0.14 1.02 -1.24 0.58 120.64 121.52 1bfi n GLU 37 Ca 0.00 -2.77 0.00 0.00 -0.02 0.00 0.00 57.16 54.37 1bfi n GLU 37 Cb 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 1bfi n GLU 37 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1bfi n SER 38 N -2.37 0.38 -0.76 1.62 7.64 -0.96 -3.99 113.62 115.17 1bfi n SER 38 Ca 0.13 -1.79 -0.10 0.00 1.01 0.00 0.00 58.87 58.13 1bfi n SER 38 Cb 0.53 -0.19 -0.04 0.00 -1.01 0.00 0.00 64.21 63.50 1bfi n SER 38 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1bfi n SER 39 N -0.27 -5.41 0.00 6.43 7.64 -1.26 -4.35 113.62 116.40 1bfi n SER 39 Ca 0.00 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.13 1bfi n SER 39 Cb 0.09 -3.78 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 1bfi n SER 39 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1bfi n LYS 40 N -1.09 0.00 -1.76 1.43 4.81 -1.26 -5.10 118.16 115.18 1bfi n LYS 40 Ca -0.10 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 56.96 1bfi n LYS 40 Cb 0.53 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.63 1bfi n LYS 40 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1bfi s GLN 41 N -0.30 2.88 0.00 1.64 -0.21 -1.26 -4.77 119.66 117.63 1bfi s GLN 41 Ca 0.00 2.17 0.00 0.00 0.02 0.00 0.00 55.36 57.55 1bfi s GLN 41 Cb 0.00 -2.08 0.00 0.00 1.00 0.00 0.00 33.01 31.94 1bfi s GLN 41 CO 0.00 -1.38 0.10 0.41 -2.12 0.00 0.00 175.29 172.30 1bfi n GLY 42 N 0.80 -0.09 3.90 3.09 0.00 -1.26 -3.99 105.19 107.64 1bfi n GLY 42 Ca 0.13 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1bfi n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bfi s TYR 44 N -3.51 2.98 -0.22 0.00 1.51 -0.91 -2.28 117.35 114.92 1bfi s TYR 44 Ca 0.61 -0.09 -0.12 0.00 -1.01 0.00 0.00 57.07 56.46 1bfi s TYR 44 Cb -0.11 -1.42 0.07 0.00 -0.11 0.00 0.00 41.96 40.39 1bfi s TYR 44 CO 0.49 0.53 0.54 0.00 -1.11 0.00 0.00 175.55 176.00 1bfi s ALA 45 N -1.82 -1.43 0.18 3.71 0.00 0.20 0.21 121.76 122.80 1bfi s ALA 45 Ca 0.30 1.94 0.08 0.00 0.00 0.00 0.00 51.96 54.28 1bfi s ALA 45 Cb -0.09 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1bfi s ALA 45 CO 0.21 -0.34 -0.06 0.00 0.00 0.00 0.00 175.76 175.57 1bfi s SER 47 N -2.87 3.33 0.15 0.00 0.01 0.13 0.16 113.70 114.62 1bfi s SER 47 Ca 0.26 -0.49 0.04 0.00 1.31 0.00 0.00 55.95 57.06 1bfi s SER 47 Cb -0.09 -0.42 -0.05 0.00 0.21 0.00 0.00 66.02 65.68 1bfi s SER 47 CO 0.17 0.28 -0.07 0.54 0.41 0.00 0.00 173.24 174.57 1bfi s VAL 48 N -0.77 1.02 -0.09 3.43 0.11 -0.98 -0.25 120.40 122.86 1bfi s VAL 48 Ca 0.12 -2.03 0.03 0.00 -2.93 0.00 0.00 61.98 57.17 1bfi s VAL 48 Cb -0.10 -1.92 -0.01 0.00 -1.53 0.00 0.00 36.38 32.81 1bfi s VAL 48 CO 0.02 -0.68 -0.20 -0.69 -3.33 0.00 0.00 175.10 170.22 1bfi s VAL 49 N -3.43 2.49 0.33 2.04 1.01 -1.17 -0.81 120.40 120.87 1bfi s VAL 49 Ca 0.18 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.37 1bfi s VAL 49 Cb 0.04 -1.98 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 1bfi s VAL 49 CO 0.01 0.55 0.01 0.54 0.00 0.00 0.00 175.10 176.21 1bfi s VAL 50 N 0.09 2.67 -0.19 2.92 0.11 -0.47 -2.42 120.40 123.11 1bfi s VAL 50 Ca -0.09 -1.98 0.00 0.00 -2.93 0.00 0.00 61.98 56.98 1bfi s VAL 50 Cb -0.15 -2.79 0.00 0.00 -1.53 0.00 0.00 36.38 31.91 1bfi s VAL 50 CO 0.06 -0.21 0.00 0.47 -3.33 0.00 0.00 175.10 172.08 1bfi n ASP 51 N -0.94 0.00 0.00 3.54 8.00 -1.26 -2.32 116.55 123.57 1bfi n ASP 51 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 1bfi n ASP 51 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 1bfi n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bfi n GLY 52 N 0.89 0.19 3.60 0.44 0.00 -1.26 -5.14 105.19 103.92 1bfi n GLY 52 Ca 0.00 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1bfi n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bfi s GLU 53 N -1.00 1.49 0.09 1.61 8.01 -0.98 -5.15 118.70 122.78 1bfi s GLU 53 Ca 0.00 -0.73 -0.18 0.00 0.01 0.00 0.00 54.97 54.06 1bfi s GLU 53 Cb 0.00 0.59 -0.07 0.00 -4.31 0.00 0.00 34.13 30.34 1bfi s GLU 53 CO 0.00 -0.66 0.57 0.08 0.01 0.00 0.00 175.26 175.26 1bfi s VAL 54 N -3.84 4.76 0.23 2.63 1.01 -1.26 -1.37 120.40 122.56 1bfi s VAL 54 Ca 0.06 1.14 0.04 0.00 0.00 0.00 0.00 61.98 63.22 1bfi s VAL 54 Cb -0.03 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.44 1bfi s VAL 54 CO -0.04 0.48 -0.00 -0.54 0.00 0.00 0.00 175.10 175.00 1bfi s LYS 55 N -1.31 1.35 -0.56 2.72 3.01 0.01 -4.97 119.74 119.98 1bfi s LYS 55 Ca 0.31 -1.68 0.06 0.00 -1.01 0.00 0.00 55.97 53.64 1bfi s LYS 55 Cb -0.18 -0.62 0.20 0.00 -1.01 0.00 0.00 37.83 36.21 1bfi s LYS 55 CO 0.19 -0.10 0.52 0.72 0.51 0.00 0.00 175.35 177.20 1bfi n HIS 56 N -0.43 1.70 -1.70 3.18 8.25 -1.26 -2.32 115.22 122.64 1bfi n HIS 56 Ca -0.05 -3.90 -0.44 0.00 -0.26 0.00 0.00 57.72 53.08 1bfi n HIS 56 Cb 0.64 -0.34 -0.02 0.00 1.12 0.00 0.00 29.99 31.38 1bfi n HIS 56 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bfi s VAL 58 N 0.10 5.14 -0.16 0.00 1.01 -1.26 0.62 120.40 125.84 1bfi s VAL 58 Ca 0.68 0.08 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 1bfi s VAL 58 Cb -0.60 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1bfi s VAL 58 CO 0.47 0.52 -0.02 -0.63 0.00 0.00 0.00 175.10 175.45 1bfi s ILE 59 N -0.24 4.00 -0.15 2.22 -1.09 0.55 -4.73 121.20 121.75 1bfi s ILE 59 Ca 0.09 -0.32 -0.01 0.00 -2.23 0.00 0.00 60.65 58.19 1bfi s ILE 59 Cb -0.12 -2.76 -0.01 0.00 -1.58 0.00 0.00 42.46 37.99 1bfi s ILE 59 CO 0.01 0.48 -0.13 0.20 -1.23 0.00 0.00 174.94 174.28 1bfi s ASN 60 N 0.43 3.92 -0.21 3.58 0.01 -0.66 -2.14 114.94 119.87 1bfi s ASN 60 Ca -0.03 -0.39 -0.04 0.00 -0.71 0.00 0.00 52.86 51.69 1bfi s ASN 60 Cb -0.14 -1.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.90 1bfi s ASN 60 CO 0.03 0.11 -0.04 -0.75 -1.51 0.00 0.00 177.10 174.93 1bfi s LYS 61 N 0.70 3.45 -0.00 -0.60 2.20 -1.26 0.03 119.74 124.26 1bfi s LYS 61 Ca -0.06 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 54.96 1bfi s LYS 61 Cb -0.15 -3.00 -0.01 0.00 -1.51 0.00 0.00 37.83 33.16 1bfi s LYS 61 CO 0.02 -0.10 0.02 2.41 -0.36 0.00 0.00 175.35 177.34 1bfi n THR 62 N 4.52 0.00 0.00 3.43 -1.04 -1.26 -4.91 114.28 115.01 1bfi n THR 62 Ca -0.18 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 1bfi n THR 62 Cb 0.51 0.89 0.00 0.00 -1.82 0.00 0.00 70.33 69.91 1bfi n THR 62 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bfi n ALA 63 N -1.12 0.00 -2.87 2.41 0.00 -1.26 -4.97 120.51 112.70 1bfi n ALA 63 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 1bfi n ALA 63 Cb 0.01 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.51 1bfi n ALA 63 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1bfi n THR 64 N 0.00 -0.05 0.00 0.00 -1.04 -1.26 -4.97 114.28 106.96 1bfi n THR 64 Ca 0.00 -2.43 0.00 0.00 -2.04 0.00 0.00 64.05 59.58 1bfi n THR 64 Cb 0.00 0.97 0.00 0.00 -1.82 0.00 0.00 70.33 69.48 1bfi n THR 64 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1bfi n GLY 65 N 0.34 -0.16 7.00 3.41 0.00 -1.26 -4.76 105.19 109.75 1bfi n GLY 65 Ca 0.12 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1bfi n GLY 65 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bfi n TYR 66 N -2.46 0.00 0.00 1.61 4.01 0.11 -4.53 117.16 115.90 1bfi n TYR 66 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bfi n TYR 66 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 1bfi n TYR 66 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bfi n GLY 67 N 0.00 -3.12 3.72 2.72 0.00 -1.25 -1.66 105.19 105.61 1bfi n GLY 67 Ca 0.00 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 1bfi n GLY 67 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1bfi s PHE 68 N 0.00 3.26 -0.02 1.61 -0.12 -1.26 -4.60 117.98 116.85 1bfi s PHE 68 Ca 0.00 1.02 0.07 0.00 -0.05 0.00 0.00 56.93 57.97 1bfi s PHE 68 Cb 0.00 -3.65 -0.02 0.00 -0.63 0.00 0.00 43.02 38.73 1bfi s PHE 68 CO 0.00 -2.22 -0.24 0.00 -0.05 0.00 0.00 175.22 172.72 1bfi s ALA 69 N 0.97 1.99 0.70 1.99 0.00 -1.26 -5.06 121.76 121.08 1bfi s ALA 69 Ca 0.63 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.44 1bfi s ALA 69 Cb -0.36 -0.52 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1bfi s ALA 69 CO 0.31 0.47 1.09 -1.21 0.00 0.00 0.00 175.76 176.43 1bfi s GLU 70 N -0.50 2.62 0.33 0.00 2.02 -1.26 -4.76 118.70 117.16 1bfi s GLU 70 Ca 0.07 1.24 0.16 0.00 0.02 0.00 0.00 54.97 56.47 1bfi s GLU 70 Cb -0.10 -1.94 0.54 0.00 0.10 0.00 0.00 34.13 32.74 1bfi s GLU 70 CO -0.00 -1.37 0.73 -2.30 0.02 0.00 0.00 175.26 172.33 1bfi n PRO 71 N -2.92 0.01 -4.10 0.39 -0.02 -1.26 -3.22 135.00 123.88 1bfi n PRO 71 Ca 0.09 0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 1bfi n PRO 71 Cb 0.53 -1.39 -0.16 0.00 -0.02 0.00 0.00 33.50 32.46 1bfi n PRO 71 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1bfi s TYR 72 N -3.42 2.92 0.12 6.00 1.51 -1.26 -5.08 117.35 118.14 1bfi s TYR 72 Ca -0.02 -1.82 -0.31 0.00 -1.01 0.00 0.00 57.07 53.92 1bfi s TYR 72 Cb 0.08 -1.93 -0.10 0.00 -0.11 0.00 0.00 41.96 39.90 1bfi s TYR 72 CO 0.28 -0.82 1.81 -0.80 -1.11 0.00 0.00 175.55 174.91 1bfi s ASN 73 N 1.24 6.44 0.00 2.29 0.01 -1.20 -4.84 114.94 118.89 1bfi s ASN 73 Ca 0.01 2.73 0.04 0.00 -0.71 0.00 0.00 52.86 54.93 1bfi s ASN 73 Cb -0.15 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 38.98 1bfi s ASN 73 CO -0.10 -0.99 0.63 0.18 -1.51 0.00 0.00 177.10 175.30 1bfi n LEU 74 N 5.71 1.33 -4.74 0.60 4.77 -1.26 -4.99 117.00 118.42 1bfi n LEU 74 Ca 0.18 -1.02 -0.37 0.00 -0.03 0.00 0.00 56.01 54.77 1bfi n LEU 74 Cb 0.38 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1bfi n LEU 74 CO 0.65 0.29 0.05 -0.31 -1.33 0.00 0.00 177.39 176.75 1bfi s TYR 75 N -0.33 3.50 -0.18 -1.77 2.02 -1.26 -4.97 117.35 114.36 1bfi s TYR 75 Ca 0.04 0.72 -0.02 0.00 -0.37 0.00 0.00 57.07 57.45 1bfi s TYR 75 Cb 0.03 -2.40 -0.10 0.00 -0.40 0.00 0.00 41.96 39.09 1bfi s TYR 75 CO 0.05 0.25 -0.18 0.45 -1.57 0.00 0.00 175.55 174.55 1bfi n SER 76 N 3.45 2.24 -4.21 2.29 2.88 -1.26 -4.78 113.62 114.23 1bfi n SER 76 Ca -0.11 0.01 -0.12 0.00 -1.33 0.00 0.00 58.87 57.32 1bfi n SER 76 Cb 0.52 -0.36 -0.10 0.00 -0.75 0.00 0.00 64.21 63.52 1bfi n SER 76 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1bfi s SER 77 N -5.98 0.72 0.42 -3.46 1.04 -1.26 -5.02 113.70 100.16 1bfi s SER 77 Ca -0.24 -1.24 0.10 0.00 0.48 0.00 0.00 55.95 55.05 1bfi s SER 77 Cb 0.07 0.23 0.91 0.00 0.10 0.00 0.00 66.02 67.33 1bfi s SER 77 CO 0.38 -0.69 2.00 -0.07 0.98 0.00 0.00 173.24 175.84 1bfi h LEU 78 N 2.72 0.23 -0.89 2.42 3.38 -1.99 -2.15 115.31 119.03 1bfi h LEU 78 Ca -0.36 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.60 1bfi h LEU 78 Cb 1.21 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 1bfi h LEU 78 CO 0.60 0.28 0.59 0.11 0.09 0.00 0.00 178.44 180.11 1bfi h LYS 79 N 0.25 1.15 0.00 1.13 1.57 -1.96 -1.38 116.57 117.33 1bfi h LYS 79 Ca 0.06 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1bfi h LYS 79 Cb 0.18 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1bfi h LYS 79 CO 0.00 0.76 -0.52 0.93 -0.57 0.00 0.00 179.45 180.06 1bfi h GLU 80 N 1.18 0.00 -0.39 3.15 5.08 -1.82 -3.09 114.58 118.70 1bfi h GLU 80 Ca 0.34 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.60 1bfi h GLU 80 Cb -0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1bfi h GLU 80 CO -0.09 0.52 -0.15 1.25 -1.00 0.00 0.00 179.01 179.54 1bfi h LEU 81 N 0.00 0.81 -0.15 1.33 6.46 -0.72 -0.66 115.31 122.37 1bfi h LEU 81 Ca -0.01 -0.39 -0.05 0.00 -0.12 0.00 0.00 57.88 57.32 1bfi h LEU 81 Cb 1.17 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 40.87 1bfi h LEU 81 CO 0.07 1.01 -0.09 1.62 -0.62 0.00 0.00 178.44 180.44 1bfi h VAL 82 N 0.59 1.32 -0.62 1.05 3.04 -1.39 -2.93 116.25 117.31 1bfi h VAL 82 Ca 0.09 -1.15 -0.09 0.00 -1.01 0.00 0.00 66.70 64.54 1bfi h VAL 82 Cb 0.69 1.76 -0.02 0.00 -2.01 0.00 0.00 31.29 31.70 1bfi h VAL 82 CO 0.05 0.34 0.02 -0.07 -1.01 0.00 0.00 177.57 176.90 1bfi h LEU 83 N -0.01 1.06 -0.90 3.16 3.38 -1.55 -2.35 115.31 118.10 1bfi h LEU 83 Ca 0.03 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.74 1bfi h LEU 83 Cb 0.57 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1bfi h LEU 83 CO 0.02 1.10 0.58 -0.74 0.09 0.00 0.00 178.44 179.50 1bfi h HIS 84 N 1.00 1.09 0.00 1.13 2.76 -1.11 -1.32 115.15 118.69 1bfi h HIS 84 Ca 0.18 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.29 1bfi h HIS 84 Cb 0.54 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 1bfi h HIS 84 CO 0.04 0.62 -0.42 1.88 -1.30 0.00 0.00 177.93 178.75 1bfi h TYR 85 N 1.12 0.00 -0.50 5.26 -1.99 -1.38 -2.60 116.97 116.88 1bfi h TYR 85 Ca 0.36 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 61.04 1bfi h TYR 85 Cb 0.01 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 1bfi h TYR 85 CO -0.02 0.42 0.09 0.37 -0.00 0.00 0.00 178.16 179.03 1bfi h GLN 86 N 0.00 0.77 -0.01 4.88 4.15 -0.69 -2.31 115.11 121.90 1bfi h GLN 86 Ca -0.00 -0.16 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1bfi h GLN 86 Cb 1.05 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.63 1bfi h GLN 86 CO 0.05 0.72 -0.47 -2.39 -1.93 0.00 0.00 178.83 174.82 1bfi n HIS 87 N -4.27 0.00 -4.26 3.99 1.44 -1.09 -4.29 115.22 106.74 1bfi n HIS 87 Ca 0.03 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.39 1bfi n HIS 87 Cb 0.24 -0.12 -0.09 0.00 0.12 0.00 0.00 29.99 30.14 1bfi n HIS 87 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1bfi s THR 88 N -2.70 4.53 -0.10 0.61 2.01 -0.88 -5.08 115.64 114.03 1bfi s THR 88 Ca 0.17 -0.16 -0.20 0.00 0.31 0.00 0.00 61.69 61.81 1bfi s THR 88 Cb 0.18 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 1bfi s THR 88 CO 0.63 0.59 0.56 -0.44 -0.69 0.00 0.00 174.62 175.27 1bfi s SER 89 N -0.70 6.81 0.47 3.53 0.01 -1.26 -4.57 113.70 117.98 1bfi s SER 89 Ca 0.11 0.96 0.30 0.00 1.31 0.00 0.00 55.95 58.64 1bfi s SER 89 Cb -0.12 -2.34 1.18 0.00 0.21 0.00 0.00 66.02 64.96 1bfi s SER 89 CO 0.02 -0.04 1.89 -0.07 0.41 0.00 0.00 173.24 175.45 1bfi h LEU 90 N 6.71 0.00 -0.57 2.44 3.38 -1.26 -3.29 115.31 122.71 1bfi h LEU 90 Ca -0.41 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.71 1bfi h LEU 90 Cb 1.19 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.83 1bfi h LEU 90 CO 0.75 0.00 -0.02 0.55 0.09 0.00 0.00 178.44 179.81 1bfi n VAL 91 N -2.88 -0.24 -0.17 1.22 3.14 1.99 0.18 118.33 121.58 1bfi n VAL 91 Ca 0.01 1.26 -0.05 0.00 -2.96 0.00 0.00 64.34 62.61 1bfi n VAL 91 Cb 0.31 -1.82 0.05 0.00 -1.06 0.00 0.00 33.84 31.32 1bfi n VAL 91 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 1bfi h GLN 92 N 0.00 0.51 -0.56 1.45 4.20 -1.81 0.68 115.11 119.58 1bfi h GLN 92 Ca 0.33 -0.03 0.11 0.00 0.06 0.00 0.00 58.65 59.12 1bfi h GLN 92 Cb 0.65 -0.11 -0.11 0.00 0.30 0.00 0.00 27.48 28.21 1bfi h GLN 92 CO -0.54 0.34 -0.16 0.45 -0.67 0.00 0.00 178.83 178.24 1bfi h HIS 93 N 0.52 -0.36 -3.26 2.96 3.86 0.17 -3.35 115.15 115.69 1bfi h HIS 93 Ca 0.22 0.05 -0.49 0.00 -1.16 0.00 0.00 60.37 58.99 1bfi h HIS 93 Cb 0.10 0.24 -0.39 0.00 1.06 0.00 0.00 27.41 28.43 1bfi h HIS 93 CO -0.09 -0.26 -0.77 -0.80 0.86 0.00 0.00 177.93 176.87 1bfi s ASN 94 N -5.21 2.42 0.38 2.45 0.01 -0.55 -4.98 114.94 109.46 1bfi s ASN 94 Ca -0.14 -0.54 0.00 0.00 -0.71 0.00 0.00 52.86 51.47 1bfi s ASN 94 Cb 0.18 -0.57 0.00 0.00 0.41 0.00 0.00 41.25 41.26 1bfi s ASN 94 CO 0.72 -0.25 0.58 0.47 -1.51 0.00 0.00 177.10 177.11 1bfi n ASP 95 N 5.07 0.00 -1.22 -1.22 8.00 0.12 0.30 116.55 127.59 1bfi n ASP 95 Ca -0.09 0.29 0.07 0.00 0.71 0.00 0.00 54.79 55.77 1bfi n ASP 95 Cb 0.48 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.88 1bfi n ASP 95 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bfi n SER 96 N -1.65 4.40 -3.40 -2.24 7.64 -1.25 -4.69 113.62 112.44 1bfi n SER 96 Ca 0.00 -3.03 -0.40 0.00 1.01 0.00 0.00 58.87 56.45 1bfi n SER 96 Cb 0.58 -0.60 0.01 0.00 -1.01 0.00 0.00 64.21 63.20 1bfi n SER 96 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1bfi n LEU 97 N -0.21 7.47 -4.57 -3.43 4.77 0.88 -4.89 117.00 117.02 1bfi n LEU 97 Ca 0.24 -5.11 -0.39 0.00 -0.03 0.00 0.00 56.01 50.72 1bfi n LEU 97 Cb 1.01 -1.19 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1bfi n LEU 97 CO 0.21 1.98 1.63 0.21 -1.33 0.00 0.00 177.39 180.10 1bfi s ASN 98 N -0.88 6.38 -0.14 -1.43 2.47 -1.26 0.52 114.94 120.60 1bfi s ASN 98 Ca 0.45 -1.72 -0.30 0.00 0.42 0.00 0.00 52.86 51.71 1bfi s ASN 98 Cb 0.25 -2.57 0.12 0.00 -1.45 0.00 0.00 41.25 37.60 1bfi s ASN 98 CO -0.19 -1.62 0.98 0.54 -3.72 0.00 0.00 177.10 173.10 1bfi s VAL 99 N 5.63 0.00 0.14 -5.21 0.11 -1.26 -4.62 120.40 115.19 1bfi s VAL 99 Ca 0.52 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.62 1bfi s VAL 99 Cb 0.01 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1bfi s VAL 99 CO -0.02 0.00 -0.10 0.42 -3.33 0.00 0.00 175.10 172.07 1bfi s THR 100 N -1.46 1.15 -1.33 5.04 -4.23 -1.26 -1.91 115.64 111.64 1bfi s THR 100 Ca -0.00 -2.01 -0.15 0.00 -1.18 0.00 0.00 61.69 58.34 1bfi s THR 100 Cb -0.01 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1bfi s THR 100 CO -0.00 -0.72 2.19 0.18 -0.54 0.00 0.00 174.62 175.73 1bfi n LEU 101 N -0.09 6.38 -0.02 4.79 4.77 -1.19 -4.57 117.00 127.07 1bfi n LEU 101 Ca -0.11 -3.91 -0.10 0.00 -0.03 0.00 0.00 56.01 51.86 1bfi n LEU 101 Cb 0.60 -1.55 -0.14 0.00 -2.33 0.00 0.00 43.42 40.00 1bfi n LEU 101 CO 0.31 0.85 -0.59 0.00 -1.33 0.00 0.00 177.39 176.64 1bfi n ALA 102 N 6.30 1.41 -2.73 -1.18 0.00 -1.14 -4.16 120.51 119.02 1bfi n ALA 102 Ca 0.52 -0.76 -0.29 0.00 0.00 0.00 0.00 53.44 52.91 1bfi n ALA 102 Cb 0.39 -0.80 -0.16 0.00 0.00 0.00 0.00 19.45 18.87 1bfi n ALA 102 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1bfi s TYR 103 N -2.59 2.11 0.52 0.00 2.02 -0.76 -5.02 117.35 113.63 1bfi s TYR 103 Ca -0.07 -0.58 -0.18 0.00 -0.37 0.00 0.00 57.07 55.86 1bfi s TYR 103 Cb 0.08 -1.39 -0.07 0.00 -0.40 0.00 0.00 41.96 40.17 1bfi s TYR 103 CO 0.82 -0.17 1.01 -1.25 -1.57 0.00 0.00 175.55 174.39 1bfi s PRO 104 N -0.16 3.76 0.29 -1.71 0.04 -1.26 -1.74 135.00 134.22 1bfi s PRO 104 Ca -0.01 1.15 0.25 0.00 0.04 0.00 0.00 61.00 62.43 1bfi s PRO 104 Cb -0.12 -2.10 0.70 0.00 0.04 0.00 0.00 34.50 33.02 1bfi s PRO 104 CO 0.02 -0.44 1.73 -0.24 0.04 0.00 0.00 177.00 178.11 1bfi h VAL 105 N 1.06 0.00 -2.14 -0.36 3.04 -0.52 -3.36 116.25 113.96 1bfi h VAL 105 Ca -0.48 -0.61 -0.54 0.00 -1.01 0.00 0.00 66.70 64.06 1bfi h VAL 105 Cb 1.20 1.60 -0.41 0.00 -2.01 0.00 0.00 31.29 31.67 1bfi h VAL 105 CO 0.60 0.00 -0.90 -1.22 -1.01 0.00 0.00 177.57 175.03 1bfi n TYR 106 N -2.53 2.12 -2.92 3.17 4.01 0.34 -5.00 117.16 116.35 1bfi n TYR 106 Ca 0.05 -3.91 -0.42 0.00 -0.16 0.00 0.00 57.90 53.46 1bfi n TYR 106 Cb 0.44 -0.46 -0.05 0.00 -0.31 0.00 0.00 39.34 38.97 1bfi n TYR 106 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bfi s ALA 107 N -2.84 3.61 -0.17 -0.72 0.00 -1.26 -3.98 121.76 116.40 1bfi s ALA 107 Ca 0.44 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.15 1bfi s ALA 107 Cb 0.30 -3.28 -0.01 0.00 0.00 0.00 0.00 23.12 20.14 1bfi s ALA 107 CO -0.10 -1.00 -0.12 -0.65 0.00 0.00 0.00 175.76 173.88 1bfi s GLN 108 N 2.86 3.29 -0.00 0.00 -0.21 -1.26 -4.95 119.66 119.39 1bfi s GLN 108 Ca 0.34 -0.70 0.09 0.00 0.02 0.00 0.00 55.36 55.10 1bfi s GLN 108 Cb -0.15 -2.72 -0.11 0.00 1.00 0.00 0.00 33.01 31.03 1bfi s GLN 108 CO 0.09 -0.00 0.34 1.04 -2.12 0.00 0.00 175.29 174.63 1bfi n GLN 109 N 4.15 3.01 -4.65 2.91 6.02 -1.26 -4.99 117.38 122.57 1bfi n GLN 109 Ca -0.19 -0.02 -0.28 0.00 -0.01 0.00 0.00 57.00 56.50 1bfi n GLN 109 Cb 0.52 -1.01 -0.14 0.00 1.02 0.00 0.00 30.24 30.63 1bfi n GLN 109 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1bfi s ARG 110 N -2.07 1.53 0.00 -1.09 0.52 -1.26 -5.29 118.95 111.29 1bfi s ARG 110 Ca 0.02 -1.14 0.00 0.00 -0.52 0.00 0.00 55.73 54.09 1bfi s ARG 110 Cb 0.07 -1.78 0.00 0.00 0.52 0.00 0.00 34.95 33.75 1bfi s ARG 110 CO 0.38 0.45 0.00 -2.13 0.02 0.00 0.00 175.30 174.01