#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 2.15 -0.13 -1.84 1.47 -1.26 -5.01 116.67 112.04 1bfi s ASP 2 Ca 0.00 0.67 -0.17 0.00 1.18 0.00 0.00 52.55 54.23 1bfi s ASP 2 Cb 0.00 -0.98 -0.04 0.00 -0.34 0.00 0.00 42.92 41.56 1bfi s ASP 2 CO 0.00 -3.37 0.43 -0.76 0.68 0.00 0.00 175.17 172.15 1bfi s LEU 3 N -6.46 4.26 0.00 2.11 1.43 -1.26 -4.94 118.68 113.82 1bfi s LEU 3 Ca 0.70 0.72 0.13 0.00 -1.03 0.00 0.00 54.13 54.65 1bfi s LEU 3 Cb -0.10 -2.61 0.71 0.00 0.03 0.00 0.00 46.19 44.22 1bfi s LEU 3 CO 0.55 0.02 1.30 -0.81 0.23 0.00 0.00 176.35 177.64 1bfi n PRO 4 N 3.70 0.26 0.00 1.29 -0.04 -1.26 -2.46 135.00 136.49 1bfi n PRO 4 Ca -0.08 0.11 0.15 0.00 -0.04 0.00 0.00 63.50 63.63 1bfi n PRO 4 Cb 0.52 -1.50 0.70 0.00 -0.04 0.00 0.00 33.50 33.18 1bfi n PRO 4 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1bfi n HIS 5 N -1.19 0.00 0.09 0.54 8.25 -1.26 -3.41 115.22 118.24 1bfi n HIS 5 Ca 0.07 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.47 1bfi n HIS 5 Cb 0.08 -0.30 0.01 0.00 1.12 0.00 0.00 29.99 30.91 1bfi n HIS 5 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1bfi h HIS 6 N 0.08 0.12 -3.25 4.41 3.86 -1.88 -3.44 115.15 115.05 1bfi h HIS 6 Ca 0.00 -0.07 -0.64 0.00 -1.16 0.00 0.00 60.37 58.51 1bfi h HIS 6 Cb 0.33 -0.01 -0.16 0.00 1.06 0.00 0.00 27.41 28.63 1bfi h HIS 6 CO 0.00 0.88 -0.59 -0.51 0.86 0.00 0.00 177.93 178.57 1bfi s ASP 7 N -6.84 5.44 0.40 2.45 1.01 -1.22 -4.98 116.67 112.92 1bfi s ASP 7 Ca -0.01 0.08 0.15 0.00 0.71 0.00 0.00 52.55 53.47 1bfi s ASP 7 Cb 0.11 -1.83 0.83 0.00 1.01 0.00 0.00 42.92 43.04 1bfi s ASP 7 CO 0.81 0.23 1.87 -0.33 0.21 0.00 0.00 175.17 177.96 1bfi h GLU 8 N 6.25 0.00 -0.51 8.23 5.08 -1.86 -2.96 114.58 128.81 1bfi h GLU 8 Ca -0.40 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1bfi h GLU 8 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 1bfi h GLU 8 CO 0.65 0.32 0.34 1.57 -1.00 0.00 0.00 179.01 180.89 1bfi h LYS 9 N 0.00 0.42 -0.06 2.33 2.10 -1.93 5.11 116.57 124.54 1bfi h LYS 9 Ca -0.00 -0.03 -0.06 0.00 -2.00 0.00 0.00 60.65 58.56 1bfi h LYS 9 Cb 0.58 -0.09 -0.01 0.00 -0.90 0.00 0.00 32.23 31.81 1bfi h LYS 9 CO 0.04 0.28 -0.25 1.79 -2.00 0.00 0.00 179.45 179.31 1bfi h THR 10 N 0.43 1.21 0.00 0.07 1.35 -1.68 -3.33 112.91 110.96 1bfi h THR 10 Ca 0.22 -0.98 -0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1bfi h THR 10 Cb 0.33 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1bfi h THR 10 CO -0.06 0.29 -1.01 -2.67 -0.25 0.00 0.00 175.52 171.82 1bfi n TRP 11 N -4.20 0.00 -2.90 4.73 4.27 -0.59 0.18 117.44 118.92 1bfi n TRP 11 Ca -0.02 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.19 1bfi n TRP 11 Cb 0.33 -0.01 -0.04 0.00 -1.36 0.00 0.00 31.31 30.23 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 -2.91 7.18 0.02 -0.67 3.84 1.66 0.19 114.94 124.24 1bfi s ASN 12 Ca -0.00 1.42 0.22 0.00 0.21 0.00 0.00 52.86 54.71 1bfi s ASN 12 Cb 0.00 -2.48 -0.03 0.00 -0.55 0.00 0.00 41.25 38.18 1bfi s ASN 12 CO 0.01 -0.16 0.97 0.52 -2.79 0.00 0.00 177.10 175.66 1bfi n VAL 13 N 3.69 0.06 -3.17 -5.21 0.31 -0.50 -4.27 118.33 109.25 1bfi n VAL 13 Ca 0.02 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1bfi n VAL 13 Cb 0.51 0.49 0.00 0.00 -0.91 0.00 0.00 33.84 33.93 1bfi n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bfi n GLY 14 N 1.42 -1.33 3.73 2.92 0.00 -1.26 -4.83 105.19 105.85 1bfi n GLY 14 Ca 0.03 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 1bfi n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bfi s SER 15 N -4.00 6.56 -0.12 1.61 1.04 -1.26 -4.71 113.70 112.82 1bfi s SER 15 Ca 0.00 2.70 -0.33 0.00 0.48 0.00 0.00 55.95 58.80 1bfi s SER 15 Cb 0.00 -2.61 0.14 0.00 0.10 0.00 0.00 66.02 63.64 1bfi s SER 15 CO 0.00 -0.80 1.30 -0.55 0.98 0.00 0.00 173.24 174.17 1bfi s SER 16 N 0.75 -0.07 0.11 7.02 0.15 -1.26 -5.13 113.70 115.27 1bfi s SER 16 Ca 0.65 -0.05 -0.07 0.00 0.70 0.00 0.00 55.95 57.18 1bfi s SER 16 Cb -0.44 0.11 -0.06 0.00 -1.71 0.00 0.00 66.02 63.92 1bfi s SER 16 CO 0.38 -0.19 0.38 0.20 1.20 0.00 0.00 173.24 175.21 1bfi s ASN 17 N -2.60 6.54 0.37 5.45 0.01 -1.26 -4.86 114.94 118.60 1bfi s ASN 17 Ca 0.12 0.66 0.04 0.00 -0.71 0.00 0.00 52.86 52.98 1bfi s ASN 17 Cb 0.03 -2.12 0.72 0.00 0.41 0.00 0.00 41.25 40.28 1bfi s ASN 17 CO -0.04 0.11 2.02 0.03 -1.51 0.00 0.00 177.10 177.71 1bfi h ARG 18 N 3.23 0.73 -0.48 -0.60 2.47 -1.94 -1.75 114.38 116.03 1bfi h ARG 18 Ca -0.47 -0.04 0.04 0.00 -1.26 0.00 0.00 59.98 58.25 1bfi h ARG 18 Cb 1.18 -0.16 -0.04 0.00 -1.65 0.00 0.00 29.97 29.29 1bfi h ARG 18 CO 0.70 0.48 0.24 -0.97 0.56 0.00 0.00 179.97 180.98 1bfi h ASN 19 N 0.75 0.33 -0.52 7.04 -0.73 -2.00 0.18 115.58 120.63 1bfi h ASN 19 Ca 0.22 0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.42 1bfi h ASN 19 Cb -0.05 -0.03 -0.03 0.00 0.27 0.00 0.00 38.32 38.49 1bfi h ASN 19 CO -0.05 0.23 0.34 0.50 -0.37 0.00 0.00 177.43 178.08 1bfi h LYS 20 N 0.46 0.68 -0.90 6.67 3.64 -1.74 -0.07 116.57 125.31 1bfi h LYS 20 Ca 0.21 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1bfi h LYS 20 Cb 0.13 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1bfi h LYS 20 CO -0.16 0.45 0.59 0.00 -2.27 0.00 0.00 179.45 178.07 1bfi h ALA 21 N 1.68 1.35 -0.49 5.00 0.00 -0.14 -1.61 119.26 125.05 1bfi h ALA 21 Ca 0.19 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1bfi h ALA 21 Cb -0.08 -0.37 -0.07 0.00 0.00 0.00 0.00 17.79 17.28 1bfi h ALA 21 CO -0.04 0.60 0.10 0.93 0.00 0.00 0.00 179.25 180.83 1bfi h GLU 22 N 1.22 0.23 -0.76 0.00 5.08 0.31 1.49 114.58 122.14 1bfi h GLU 22 Ca 0.33 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1bfi h GLU 22 Cb -0.14 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 1bfi h GLU 22 CO -0.07 0.15 0.38 -2.95 -1.00 0.00 0.00 179.01 175.52 1bfi h ASN 23 N 0.23 0.98 0.23 1.42 7.08 -1.28 1.91 115.58 126.16 1bfi h ASN 23 Ca 0.24 -0.12 -0.05 0.00 -3.08 0.00 0.00 56.30 53.29 1bfi h ASN 23 Cb 0.33 -0.25 -0.01 0.00 -2.08 0.00 0.00 38.32 36.31 1bfi h ASN 23 CO -0.32 0.83 -0.25 -0.07 -2.08 0.00 0.00 177.43 175.54 1bfi h LEU 24 N 1.07 0.02 0.00 6.14 3.38 0.16 -1.89 115.31 124.19 1bfi h LEU 24 Ca 0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1bfi h LEU 24 Cb 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1bfi h LEU 24 CO -0.04 0.27 -0.70 0.18 0.09 0.00 0.00 178.44 178.24 1bfi n LEU 25 N -4.24 0.65 -0.06 1.67 4.77 0.48 -3.82 117.00 116.46 1bfi n LEU 25 Ca -0.02 -0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 55.69 1bfi n LEU 25 Cb 0.31 -0.16 -0.13 0.00 -2.33 0.00 0.00 43.42 41.10 1bfi n LEU 25 CO 0.37 0.14 0.37 0.08 -1.33 0.00 0.00 177.39 177.02 1bfi h ARG 26 N 0.00 0.03 -0.93 3.23 0.11 0.37 -3.24 114.38 113.95 1bfi h ARG 26 Ca 0.00 -0.04 -0.12 0.00 0.10 0.00 0.00 59.98 59.91 1bfi h ARG 26 Cb 0.54 0.02 -0.07 0.00 1.11 0.00 0.00 29.97 31.56 1bfi h ARG 26 CO 0.00 1.01 0.16 0.41 0.10 0.00 0.00 179.97 181.64 1bfi n GLY 27 N 1.58 2.63 3.29 0.08 0.00 -1.04 -4.81 105.19 106.92 1bfi n GLY 27 Ca -0.10 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.48 3.28 0.71 1.61 2.47 -1.22 -5.07 119.74 120.04 1bfi s LYS 28 Ca 0.22 -0.71 -0.11 0.00 -1.56 0.00 0.00 55.97 53.81 1bfi s LYS 28 Cb 0.18 -2.70 0.02 0.00 -1.46 0.00 0.00 37.83 33.88 1bfi s LYS 28 CO 0.05 0.02 1.07 0.50 0.16 0.00 0.00 175.35 177.15 1bfi s ARG 29 N 0.84 2.71 0.67 4.03 3.52 -1.26 -4.95 118.95 124.51 1bfi s ARG 29 Ca -0.04 1.07 -0.17 0.00 -0.13 0.00 0.00 55.73 56.46 1bfi s ARG 29 Cb -0.15 -1.96 -0.01 0.00 -1.56 0.00 0.00 34.95 31.27 1bfi s ARG 29 CO 0.00 -1.28 1.09 -0.40 -0.81 0.00 0.00 175.30 173.89 1bfi n ASP 30 N -3.15 1.12 0.00 -2.12 5.68 -1.26 -2.84 116.55 113.97 1bfi n ASP 30 Ca 0.08 0.76 0.00 0.00 -0.50 0.00 0.00 54.79 55.13 1bfi n ASP 30 Cb 0.53 -1.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.06 1bfi n ASP 30 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bfi n GLY 31 N 1.08 2.95 3.68 6.12 0.00 -0.86 -4.98 105.19 113.18 1bfi n GLY 31 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.84 5.27 0.18 2.61 2.01 -1.13 -0.51 115.64 121.23 1bfi s THR 32 Ca 0.00 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.19 1bfi s THR 32 Cb 0.00 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.03 1bfi s THR 32 CO 0.00 0.40 -0.09 0.72 -0.69 0.00 0.00 174.62 174.96 1bfi s PHE 33 N 0.72 1.43 0.13 4.92 -0.71 -0.88 -3.06 117.98 120.51 1bfi s PHE 33 Ca 0.07 -0.76 0.06 0.00 -1.04 0.00 0.00 56.93 55.26 1bfi s PHE 33 Cb -0.12 -0.74 -0.04 0.00 -1.21 0.00 0.00 43.02 40.91 1bfi s PHE 33 CO 0.01 0.11 -0.14 -0.48 -1.34 0.00 0.00 175.22 173.39 1bfi s LEU 34 N -3.23 2.41 -0.11 -1.99 0.05 0.36 -2.31 118.68 113.86 1bfi s LEU 34 Ca 0.20 -0.83 0.02 0.00 0.05 0.00 0.00 54.13 53.58 1bfi s LEU 34 Cb 0.03 -0.55 -0.01 0.00 -2.05 0.00 0.00 46.19 43.61 1bfi s LEU 34 CO 0.04 -0.15 -0.17 -0.69 -0.55 0.00 0.00 176.35 174.82 1bfi s VAL 35 N -2.22 2.69 0.00 1.48 1.01 0.50 -0.52 120.40 123.34 1bfi s VAL 35 Ca 0.10 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1bfi s VAL 35 Cb -0.04 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1bfi s VAL 35 CO 0.03 0.54 0.00 0.54 0.00 0.00 0.00 175.10 176.21 1bfi n ARG 36 N 3.39 0.00 -3.66 2.72 1.74 0.12 -1.40 116.66 119.56 1bfi n ARG 36 Ca -0.18 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.67 1bfi n ARG 36 Cb 0.53 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.96 1bfi n ARG 36 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1bfi s GLU 37 N 4.43 2.37 0.00 5.56 8.01 -1.25 -1.49 118.70 136.32 1bfi s GLU 37 Ca 0.00 -1.78 0.00 0.00 0.01 0.00 0.00 54.97 53.20 1bfi s GLU 37 Cb 0.00 -2.27 0.00 0.00 -4.31 0.00 0.00 34.13 27.55 1bfi s GLU 37 CO 0.00 -0.47 0.59 0.43 0.01 0.00 0.00 175.26 175.82 1bfi n SER 38 N -1.72 0.46 0.00 -0.19 7.64 -1.20 -4.03 113.62 114.58 1bfi n SER 38 Ca 0.03 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.27 1bfi n SER 38 Cb 0.63 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 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 -0.17 0.00 -4.86 6.43 7.64 -1.26 -5.02 113.62 116.38 1bfi n SER 39 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1bfi n SER 39 Cb 0.12 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.26 1bfi n SER 39 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1bfi s LYS 40 N 0.00 3.88 0.45 1.43 1.02 -1.26 -4.94 119.74 120.32 1bfi s LYS 40 Ca 0.00 0.40 -0.24 0.00 0.02 0.00 0.00 55.97 56.15 1bfi s LYS 40 Cb 0.00 -2.63 -0.08 0.00 -0.52 0.00 0.00 37.83 34.60 1bfi s LYS 40 CO 0.00 0.30 1.23 -0.65 -0.92 0.00 0.00 175.35 175.31 1bfi s GLN 41 N -2.74 3.77 0.00 1.68 1.11 -1.26 -3.06 119.66 119.16 1bfi s GLN 41 Ca 0.48 1.96 0.00 0.00 0.01 0.00 0.00 55.36 57.81 1bfi s GLN 41 Cb -0.11 -2.53 0.00 0.00 -1.01 0.00 0.00 33.01 29.36 1bfi s GLN 41 CO 0.20 -0.59 0.00 0.41 0.01 0.00 0.00 175.29 175.32 1bfi n GLY 42 N 0.58 0.77 3.28 3.09 0.00 -1.26 -5.06 105.19 106.60 1bfi n GLY 42 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.04 2.04 -0.26 0.00 1.51 -1.07 -3.27 117.35 113.26 1bfi s TYR 44 Ca 0.17 -0.40 -0.26 0.00 -1.01 0.00 0.00 57.07 55.57 1bfi s TYR 44 Cb 0.00 -1.12 0.13 0.00 -0.11 0.00 0.00 41.96 40.86 1bfi s TYR 44 CO 0.03 0.26 1.06 0.00 -1.11 0.00 0.00 175.55 175.78 1bfi s ALA 45 N -1.09 -1.98 0.08 3.71 0.00 -0.56 -0.16 121.76 121.76 1bfi s ALA 45 Ca 0.10 1.80 0.08 0.00 0.00 0.00 0.00 51.96 53.94 1bfi s ALA 45 Cb -0.10 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.69 1bfi s ALA 45 CO 0.05 -0.24 -0.21 0.00 0.00 0.00 0.00 175.76 175.36 1bfi s SER 47 N -1.64 3.10 0.12 0.00 1.04 0.32 0.21 113.70 116.85 1bfi s SER 47 Ca 0.07 -0.56 0.05 0.00 0.48 0.00 0.00 55.95 55.99 1bfi s SER 47 Cb -0.10 -0.30 -0.04 0.00 0.10 0.00 0.00 66.02 65.69 1bfi s SER 47 CO 0.03 0.27 -0.13 0.54 0.98 0.00 0.00 173.24 174.94 1bfi s VAL 48 N -0.75 1.21 -0.12 5.02 0.11 -0.53 -0.49 120.40 124.84 1bfi s VAL 48 Ca 0.11 -1.72 -0.02 0.00 -2.93 0.00 0.00 61.98 57.43 1bfi s VAL 48 Cb -0.10 -1.50 -0.02 0.00 -1.53 0.00 0.00 36.38 33.23 1bfi s VAL 48 CO 0.01 -0.48 -0.07 -0.69 -3.33 0.00 0.00 175.10 170.54 1bfi s VAL 49 N -2.31 3.61 0.21 2.04 1.01 -1.17 -1.05 120.40 122.74 1bfi s VAL 49 Ca 0.08 -0.47 0.10 0.00 0.00 0.00 0.00 61.98 61.69 1bfi s VAL 49 Cb -0.04 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1bfi s VAL 49 CO 0.02 0.53 -0.21 0.54 0.00 0.00 0.00 175.10 175.98 1bfi s VAL 50 N 0.05 2.17 0.47 2.92 0.11 -0.63 -2.03 120.40 123.47 1bfi s VAL 50 Ca -0.02 -2.10 0.17 0.00 -2.93 0.00 0.00 61.98 57.11 1bfi s VAL 50 Cb -0.14 -2.07 0.17 0.00 -1.53 0.00 0.00 36.38 32.81 1bfi s VAL 50 CO 0.03 -0.28 1.49 -0.78 -3.33 0.00 0.00 175.10 172.23 1bfi h ASP 51 N 2.96 0.00 0.00 3.54 1.82 -1.94 -1.60 116.42 121.19 1bfi h ASP 51 Ca -0.43 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.01 1bfi h ASP 51 Cb 1.22 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.20 1bfi h ASP 51 CO 0.53 0.00 -1.28 0.61 -1.61 0.00 0.00 179.24 177.48 1bfi n GLY 52 N -1.29 -0.79 3.82 -0.78 0.00 -1.26 -5.07 105.19 99.81 1bfi n GLY 52 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.39 1.66 0.07 1.61 2.02 -0.60 -5.14 118.70 115.93 1bfi s GLU 53 Ca -0.27 -0.90 -0.24 0.00 0.02 0.00 0.00 54.97 53.58 1bfi s GLU 53 Cb 0.06 0.57 -0.06 0.00 0.10 0.00 0.00 34.13 34.81 1bfi s GLU 53 CO 0.48 -0.76 0.71 0.08 0.02 0.00 0.00 175.26 175.80 1bfi s VAL 54 N -3.80 4.66 0.07 2.63 1.01 -1.26 -1.60 120.40 122.11 1bfi s VAL 54 Ca 0.11 1.53 0.04 0.00 0.00 0.00 0.00 61.98 63.66 1bfi s VAL 54 Cb -0.05 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1bfi s VAL 54 CO 0.05 0.44 -0.13 -0.54 0.00 0.00 0.00 175.10 174.93 1bfi s LYS 55 N -0.51 0.78 -0.25 2.72 3.01 -0.21 -4.98 119.74 120.30 1bfi s LYS 55 Ca 0.35 -0.96 -0.05 0.00 -1.01 0.00 0.00 55.97 54.30 1bfi s LYS 55 Cb -0.21 -0.70 0.00 0.00 -1.01 0.00 0.00 37.83 35.91 1bfi s LYS 55 CO 0.22 0.15 0.01 -1.01 0.51 0.00 0.00 175.35 175.23 1bfi s HIS 56 N -1.47 3.05 -0.19 3.18 3.76 -1.26 -1.45 115.29 120.91 1bfi s HIS 56 Ca -0.02 -1.00 -0.07 0.00 -0.15 0.00 0.00 55.06 53.82 1bfi s HIS 56 Cb -0.09 -2.16 -0.04 0.00 1.11 0.00 0.00 32.58 31.40 1bfi s HIS 56 CO 0.02 -0.57 0.06 0.00 -0.85 0.00 0.00 174.74 173.40 1bfi s VAL 58 N 0.46 5.23 -0.02 0.00 0.11 -1.26 0.17 120.40 125.09 1bfi s VAL 58 Ca 0.03 0.69 0.07 0.00 -2.93 0.00 0.00 61.98 59.84 1bfi s VAL 58 Cb -0.13 -3.68 -0.02 0.00 -1.53 0.00 0.00 36.38 31.02 1bfi s VAL 58 CO 0.01 0.43 -0.22 -0.63 -3.33 0.00 0.00 175.10 171.35 1bfi s ILE 59 N 0.10 2.39 0.07 7.04 1.01 0.77 -4.85 121.20 127.74 1bfi s ILE 59 Ca 0.20 -1.04 0.06 0.00 0.00 0.00 0.00 60.65 59.87 1bfi s ILE 59 Cb -0.14 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.40 1bfi s ILE 59 CO 0.07 0.54 -0.09 0.20 0.00 0.00 0.00 174.94 175.67 1bfi s ASN 60 N -0.78 4.46 -0.37 3.58 0.01 -1.14 -2.61 114.94 118.09 1bfi s ASN 60 Ca 0.11 -0.31 -0.02 0.00 -0.71 0.00 0.00 52.86 51.92 1bfi s ASN 60 Cb -0.10 -0.91 0.09 0.00 0.41 0.00 0.00 41.25 40.74 1bfi s ASN 60 CO 0.00 0.21 0.14 -0.75 -1.51 0.00 0.00 177.10 175.19 1bfi s LYS 61 N -1.98 2.12 0.24 -0.60 2.20 -1.26 -0.51 119.74 119.95 1bfi s LYS 61 Ca 0.20 -1.64 -0.22 0.00 -0.36 0.00 0.00 55.97 53.95 1bfi s LYS 61 Cb -0.11 -3.45 0.03 0.00 -1.51 0.00 0.00 37.83 32.79 1bfi s LYS 61 CO 0.12 -0.92 0.80 0.99 -0.36 0.00 0.00 175.35 175.98 1bfi s THR 62 N 1.17 0.00 0.22 3.43 2.01 -1.26 -4.79 115.64 116.42 1bfi s THR 62 Ca 0.04 -0.89 -0.09 0.00 0.31 0.00 0.00 61.69 61.07 1bfi s THR 62 Cb -0.22 -2.01 0.19 0.00 0.01 0.00 0.00 72.50 70.48 1bfi s THR 62 CO -0.03 0.00 1.90 0.00 -0.69 0.00 0.00 174.62 175.80 1bfi h ALA 63 N 2.00 1.07 -0.15 7.40 0.00 -2.02 -2.97 119.26 124.59 1bfi h ALA 63 Ca -0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1bfi h ALA 63 Cb 1.24 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1bfi h ALA 63 CO 0.24 0.47 0.00 2.41 0.00 0.00 0.00 179.25 182.37 1bfi n THR 64 N -4.50 0.55 0.00 0.00 -1.04 -1.26 -4.85 114.28 103.19 1bfi n THR 64 Ca 0.09 -0.78 0.00 0.00 -2.04 0.00 0.00 64.05 61.32 1bfi n THR 64 Cb 0.02 0.80 0.00 0.00 -1.82 0.00 0.00 70.33 69.33 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 0.36 0.93 1.25 3.41 0.00 -1.12 -5.02 105.19 105.00 1bfi n GLY 65 Ca 0.07 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.19 -3.10 0.00 1.61 4.01 0.34 -4.69 117.16 115.15 1bfi n TYR 66 Ca 0.00 1.56 0.00 0.00 -0.16 0.00 0.00 57.90 59.30 1bfi n TYR 66 Cb 0.00 -2.81 0.00 0.00 -0.31 0.00 0.00 39.34 36.22 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 -3.74 0.82 3.73 2.72 0.00 -1.23 -2.90 105.19 104.60 1bfi n GLY 67 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1bfi n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bfi s PHE 68 N -0.06 3.62 0.00 1.61 0.40 -1.26 -4.75 117.98 117.54 1bfi s PHE 68 Ca 0.00 1.21 0.00 0.00 -0.60 0.00 0.00 56.93 57.54 1bfi s PHE 68 Cb 0.00 -2.71 0.00 0.00 0.51 0.00 0.00 43.02 40.82 1bfi s PHE 68 CO 0.00 0.20 0.14 0.00 0.70 0.00 0.00 175.22 176.26 1bfi n ALA 69 N 3.36 1.45 0.10 5.36 0.00 -1.26 -4.69 120.51 124.81 1bfi n ALA 69 Ca -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 1bfi n ALA 69 Cb 0.51 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.21 1bfi n ALA 69 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1bfi h GLU 70 N 0.00 0.24 0.00 0.00 4.39 -1.98 -2.21 114.58 115.02 1bfi h GLU 70 Ca 0.00 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1bfi h GLU 70 Cb 0.08 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1bfi h GLU 70 CO 0.00 0.58 0.00 -2.30 -1.16 0.00 0.00 179.01 176.13 1bfi n PRO 71 N -4.06 0.07 -4.19 2.33 -0.02 -1.26 -4.84 135.00 123.02 1bfi n PRO 71 Ca -0.01 0.27 -0.33 0.00 -2.02 0.00 0.00 63.50 61.41 1bfi n PRO 71 Cb 0.45 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.39 1bfi n PRO 71 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1bfi n TYR 72 N -1.37 -1.58 0.18 6.00 4.11 -0.83 -4.81 117.16 118.85 1bfi n TYR 72 Ca 0.03 0.74 0.05 0.00 -0.00 0.00 0.00 57.90 58.73 1bfi n TYR 72 Cb 0.08 -3.06 -0.08 0.00 -0.00 0.00 0.00 39.34 36.28 1bfi n TYR 72 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1bfi n ASN 73 N -2.77 1.76 -3.28 9.48 5.03 -1.26 -5.06 115.26 119.17 1bfi n ASN 73 Ca -0.10 -0.27 -0.20 0.00 0.87 0.00 0.00 54.58 54.88 1bfi n ASN 73 Cb 0.58 1.32 0.02 0.00 -1.02 0.00 0.00 39.78 40.68 1bfi n ASN 73 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1bfi n LEU 74 N -1.65 -3.84 -4.74 3.41 7.94 -1.26 -4.74 117.00 112.12 1bfi n LEU 74 Ca -0.01 0.22 -0.42 0.00 -1.11 0.00 0.00 56.01 54.70 1bfi n LEU 74 Cb 0.24 -1.91 -0.02 0.00 0.53 0.00 0.00 43.42 42.26 1bfi n LEU 74 CO 0.22 -0.97 1.29 -1.22 -1.11 0.00 0.00 177.39 175.60 1bfi n TYR 75 N 0.38 2.85 -0.09 1.96 4.01 -1.26 -4.89 117.16 120.13 1bfi n TYR 75 Ca -0.03 0.18 -0.08 0.00 -0.16 0.00 0.00 57.90 57.81 1bfi n TYR 75 Cb 0.55 -2.63 0.08 0.00 -0.31 0.00 0.00 39.34 37.03 1bfi n TYR 75 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1bfi h SER 76 N 5.43 0.80 -5.15 7.72 0.02 -1.98 -3.45 113.55 116.93 1bfi h SER 76 Ca -0.46 -0.30 -0.13 0.00 -0.84 0.00 0.00 61.79 60.06 1bfi h SER 76 Cb 1.22 -0.22 -0.17 0.00 0.14 0.00 0.00 62.40 63.37 1bfi h SER 76 CO 0.85 1.01 -0.66 -0.55 -1.14 0.00 0.00 176.83 176.34 1bfi s SER 77 N -6.76 0.38 0.31 3.07 0.15 -1.26 -5.03 113.70 104.55 1bfi s SER 77 Ca -0.09 -0.81 -0.01 0.00 0.70 0.00 0.00 55.95 55.74 1bfi s SER 77 Cb 0.13 0.18 0.48 0.00 -1.71 0.00 0.00 66.02 65.11 1bfi s SER 77 CO 0.84 -0.52 1.94 -0.07 1.20 0.00 0.00 173.24 176.64 1bfi h LEU 78 N 3.58 0.85 -0.77 3.45 3.38 -2.00 -2.02 115.31 121.77 1bfi h LEU 78 Ca -0.33 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.65 1bfi h LEU 78 Cb 1.17 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.64 1bfi h LEU 78 CO 0.57 0.66 0.45 0.11 0.09 0.00 0.00 178.44 180.33 1bfi h LYS 79 N 0.97 0.80 -0.25 1.13 1.57 -1.96 0.19 116.57 119.01 1bfi h LYS 79 Ca 0.25 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1bfi h LYS 79 Cb -0.02 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1bfi h LYS 79 CO -0.05 0.53 -0.09 1.49 -0.57 0.00 0.00 179.45 180.76 1bfi h GLU 80 N 0.82 0.41 -0.19 3.15 4.81 -1.75 -1.64 114.58 120.19 1bfi h GLU 80 Ca 0.34 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1bfi h GLU 80 Cb 0.20 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1bfi h GLU 80 CO -0.19 0.51 0.12 1.25 -0.73 0.00 0.00 179.01 179.97 1bfi h LEU 81 N 0.38 0.20 -0.73 1.64 6.46 -0.64 0.37 115.31 123.00 1bfi h LEU 81 Ca 0.08 -0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.73 1bfi h LEU 81 Cb 0.40 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1bfi h LEU 81 CO 0.02 0.15 -0.21 0.58 -0.62 0.00 0.00 178.44 178.36 1bfi h VAL 82 N 0.25 1.27 -0.14 1.05 2.07 -1.17 -2.13 116.25 117.45 1bfi h VAL 82 Ca 0.07 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1bfi h VAL 82 Cb -0.02 1.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1bfi h VAL 82 CO -0.02 0.43 -0.01 0.25 0.02 0.00 0.00 177.57 178.24 1bfi h LEU 83 N 0.65 0.24 -0.78 2.57 5.85 -0.74 -2.87 115.31 120.24 1bfi h LEU 83 Ca 0.09 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 1bfi h LEU 83 Cb 0.71 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 1bfi h LEU 83 CO 0.05 0.51 0.32 -0.74 -0.34 0.00 0.00 178.44 178.24 1bfi h HIS 84 N -0.03 1.17 0.00 1.25 2.76 -0.23 -2.69 115.15 117.39 1bfi h HIS 84 Ca 0.04 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.10 1bfi h HIS 84 Cb 0.39 -0.35 -0.00 0.00 1.55 0.00 0.00 27.41 28.99 1bfi h HIS 84 CO 0.04 0.89 -0.10 1.88 -1.30 0.00 0.00 177.93 179.33 1bfi h TYR 85 N 1.12 0.00 0.00 5.26 -1.99 -1.32 -1.32 116.97 118.72 1bfi h TYR 85 Ca 0.26 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.92 1bfi h TYR 85 Cb 0.20 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 1bfi h TYR 85 CO 0.02 0.10 -0.31 -0.56 -0.00 0.00 0.00 178.16 177.41 1bfi h GLN 86 N 0.00 0.00 0.20 4.88 3.07 -1.25 -2.84 115.11 119.18 1bfi h GLN 86 Ca -0.00 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.42 1bfi h GLN 86 Cb 0.19 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.78 1bfi h GLN 86 CO 0.01 0.31 -1.39 1.25 0.09 0.00 0.00 178.83 179.11 1bfi h HIS 87 N 0.00 0.98 -4.19 0.06 2.76 -1.31 -3.39 115.15 110.06 1bfi h HIS 87 Ca -0.00 -0.67 -0.47 0.00 -2.20 0.00 0.00 60.37 57.02 1bfi h HIS 87 Cb 0.59 -0.05 0.02 0.00 1.55 0.00 0.00 27.41 29.51 1bfi h HIS 87 CO 0.00 1.52 0.37 -0.08 -1.30 0.00 0.00 177.93 178.44 1bfi s THR 88 N -2.75 4.47 -0.15 6.26 -1.32 -0.91 -5.05 115.64 116.20 1bfi s THR 88 Ca -0.09 1.21 -0.06 0.00 -1.21 0.00 0.00 61.69 61.54 1bfi s THR 88 Cb 0.05 -3.69 -0.04 0.00 -1.51 0.00 0.00 72.50 67.31 1bfi s THR 88 CO 0.94 -0.66 0.05 -0.55 -2.21 0.00 0.00 174.62 172.19 1bfi s SER 89 N -3.00 5.54 0.05 8.08 0.15 -1.26 -4.57 113.70 118.69 1bfi s SER 89 Ca 0.59 0.12 0.17 0.00 0.70 0.00 0.00 55.95 57.53 1bfi s SER 89 Cb -0.10 -1.85 0.72 0.00 -1.71 0.00 0.00 66.02 63.07 1bfi s SER 89 CO 0.31 0.24 1.53 0.18 1.20 0.00 0.00 173.24 176.70 1bfi n LEU 90 N 3.06 0.13 -0.33 3.45 7.99 -0.73 -3.54 117.00 127.03 1bfi n LEU 90 Ca -0.17 0.53 0.23 0.00 -0.01 0.00 0.00 56.01 56.58 1bfi n LEU 90 Cb 0.53 -0.51 0.43 0.00 -0.11 0.00 0.00 43.42 43.76 1bfi n LEU 90 CO 0.33 -0.30 0.92 1.62 -1.51 0.00 0.00 177.39 178.46 1bfi h VAL 91 N 0.00 0.01 -1.24 4.08 3.04 0.95 0.35 116.25 123.43 1bfi h VAL 91 Ca 0.00 -0.00 0.44 0.00 -1.01 0.00 0.00 66.70 66.13 1bfi h VAL 91 Cb 0.29 0.00 -0.14 0.00 -2.01 0.00 0.00 31.29 29.43 1bfi h VAL 91 CO 0.00 0.00 0.78 1.67 -1.01 0.00 0.00 177.57 179.01 1bfi n GLN 92 N -5.38 -0.04 -1.93 4.17 7.27 -1.23 -1.04 117.38 119.20 1bfi n GLN 92 Ca 0.30 1.19 -0.42 0.00 0.07 0.00 0.00 57.00 58.14 1bfi n GLN 92 Cb 1.01 -2.32 -0.03 0.00 2.41 0.00 0.00 30.24 31.31 1bfi n GLN 92 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1bfi s HIS 93 N -5.18 2.38 0.00 3.69 2.46 0.12 -2.16 115.29 116.60 1bfi s HIS 93 Ca -0.07 0.30 0.00 0.00 0.47 0.00 0.00 55.06 55.76 1bfi s HIS 93 Cb 0.29 -3.96 0.00 0.00 -0.13 0.00 0.00 32.58 28.78 1bfi s HIS 93 CO 0.76 -3.88 0.00 0.09 -2.47 0.00 0.00 174.74 169.24 1bfi n ASN 94 N 5.73 -1.25 -3.65 9.88 3.02 -1.26 -1.23 115.26 126.50 1bfi n ASN 94 Ca 0.16 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.48 1bfi n ASN 94 Cb 0.41 -1.12 0.06 0.00 -0.61 0.00 0.00 39.78 38.52 1bfi n ASN 94 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1bfi n ASP 95 N 2.08 -4.29 0.00 6.41 8.00 -0.20 -4.85 116.55 123.71 1bfi n ASP 95 Ca 0.00 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.85 1bfi n ASP 95 Cb 0.10 -4.66 0.00 0.00 -0.02 0.00 0.00 41.12 36.54 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 -3.01 0.00 -4.01 -2.24 7.64 -0.36 -4.93 113.62 106.70 1bfi n SER 96 Ca -0.10 -1.00 -0.43 0.00 1.01 0.00 0.00 58.87 58.36 1bfi n SER 96 Cb 0.59 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.80 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 0.00 6.32 -4.56 -3.43 7.99 -1.22 -4.89 117.00 117.22 1bfi n LEU 97 Ca 0.00 -5.21 -0.41 0.00 -0.01 0.00 0.00 56.01 50.38 1bfi n LEU 97 Cb 0.37 -1.27 -0.03 0.00 -0.11 0.00 0.00 43.42 42.38 1bfi n LEU 97 CO 0.00 1.68 1.34 0.21 -1.51 0.00 0.00 177.39 179.11 1bfi s ASN 98 N -1.63 6.31 0.04 -1.43 2.47 -1.26 0.45 114.94 119.90 1bfi s ASN 98 Ca 0.31 -0.97 -0.20 0.00 0.42 0.00 0.00 52.86 52.42 1bfi s ASN 98 Cb 0.04 -2.56 0.07 0.00 -1.45 0.00 0.00 41.25 37.35 1bfi s ASN 98 CO 0.09 -1.69 0.94 0.55 -3.72 0.00 0.00 177.10 173.28 1bfi n VAL 99 N 6.68 0.00 -3.71 -5.21 3.14 -1.26 -4.71 118.33 113.26 1bfi n VAL 99 Ca 0.19 -0.23 -0.08 0.00 -2.96 0.00 0.00 64.34 61.26 1bfi n VAL 99 Cb 0.50 0.51 -0.02 0.00 -1.06 0.00 0.00 33.84 33.77 1bfi n VAL 99 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 1bfi s THR 100 N -2.09 0.00 -1.56 1.55 -1.32 -1.26 -1.78 115.64 109.18 1bfi s THR 100 Ca 0.22 -0.66 -0.11 0.00 -1.21 0.00 0.00 61.69 59.92 1bfi s THR 100 Cb -0.01 -1.67 -0.04 0.00 -1.51 0.00 0.00 72.50 69.26 1bfi s THR 100 CO 0.01 0.00 2.69 0.18 -2.21 0.00 0.00 174.62 175.29 1bfi n LEU 101 N -0.43 8.06 0.02 9.08 4.77 -1.20 -4.48 117.00 132.82 1bfi n LEU 101 Ca -0.08 -4.28 -0.01 0.00 -0.03 0.00 0.00 56.01 51.61 1bfi n LEU 101 Cb 0.61 -1.60 -0.09 0.00 -2.33 0.00 0.00 43.42 40.01 1bfi n LEU 101 CO 0.14 1.71 -0.35 0.00 -1.33 0.00 0.00 177.39 177.56 1bfi n ALA 102 N 4.52 1.86 -2.90 -1.18 0.00 -1.22 -3.92 120.51 117.68 1bfi n ALA 102 Ca 0.69 -0.59 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 1bfi n ALA 102 Cb 0.29 -0.93 -0.16 0.00 0.00 0.00 0.00 19.45 18.65 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 -2.87 2.17 0.48 0.00 2.02 0.33 -5.02 117.35 114.46 1bfi s TYR 103 Ca -0.03 -0.69 -0.21 0.00 -0.37 0.00 0.00 57.07 55.77 1bfi s TYR 103 Cb 0.09 -1.44 -0.08 0.00 -0.40 0.00 0.00 41.96 40.12 1bfi s TYR 103 CO 0.81 -0.23 1.07 -1.25 -1.57 0.00 0.00 175.55 174.38 1bfi s PRO 104 N 0.02 3.78 0.45 -1.71 0.04 -1.26 -2.08 135.00 134.24 1bfi s PRO 104 Ca -0.07 1.47 0.29 0.00 0.04 0.00 0.00 61.00 62.74 1bfi s PRO 104 Cb -0.14 -2.18 1.09 0.00 0.04 0.00 0.00 34.50 33.31 1bfi s PRO 104 CO 0.04 -0.47 1.86 -0.24 0.04 0.00 0.00 177.00 178.23 1bfi h VAL 105 N 1.63 0.00 -2.10 -0.36 3.04 -0.61 -3.30 116.25 114.54 1bfi h VAL 105 Ca -0.49 -0.53 -0.55 0.00 -1.01 0.00 0.00 66.70 64.11 1bfi h VAL 105 Cb 1.23 1.48 -0.41 0.00 -2.01 0.00 0.00 31.29 31.59 1bfi h VAL 105 CO 0.59 0.00 -0.92 -1.22 -1.01 0.00 0.00 177.57 175.01 1bfi n TYR 106 N -2.87 1.60 -1.78 3.17 4.01 0.47 -4.99 117.16 116.77 1bfi n TYR 106 Ca 0.02 -3.86 -0.39 0.00 -0.16 0.00 0.00 57.90 53.51 1bfi n TYR 106 Cb 0.34 -0.44 0.03 0.00 -0.31 0.00 0.00 39.34 38.95 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 -2.29 3.03 0.31 -0.72 0.00 -1.25 -4.15 121.76 116.70 1bfi s ALA 107 Ca 0.40 1.41 -0.29 0.00 0.00 0.00 0.00 51.96 53.48 1bfi s ALA 107 Cb 0.24 -3.58 -0.12 0.00 0.00 0.00 0.00 23.12 19.66 1bfi s ALA 107 CO -0.09 -1.29 1.49 0.94 0.00 0.00 0.00 175.76 176.81 1bfi n GLN 108 N -0.61 2.48 -2.42 0.00 7.27 -1.26 -4.95 117.38 117.89 1bfi n GLN 108 Ca 0.08 0.88 -0.34 0.00 0.07 0.00 0.00 57.00 57.69 1bfi n GLN 108 Cb 0.43 -2.59 -0.02 0.00 2.41 0.00 0.00 30.24 30.47 1bfi n GLN 108 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1bfi s GLN 109 N -1.07 3.69 0.13 3.69 -0.21 -1.26 -5.05 119.66 119.57 1bfi s GLN 109 Ca 0.61 1.31 0.11 0.00 0.02 0.00 0.00 55.36 57.41 1bfi s GLN 109 Cb -0.53 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.36 1bfi s GLN 109 CO 0.54 -0.52 -0.26 1.03 -2.12 0.00 0.00 175.29 173.96 1bfi s ARG 110 N -3.46 1.36 0.00 2.91 0.52 -1.26 -5.22 118.95 113.80 1bfi s ARG 110 Ca 0.66 -1.33 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 1bfi s ARG 110 Cb -0.16 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.48 1bfi s ARG 110 CO 0.24 0.43 0.00 -2.13 0.02 0.00 0.00 175.30 173.86