#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 3.83 0.29 4.31 1.47 -1.26 -4.99 116.67 120.33 1bfi s ASP 2 Ca 0.00 0.86 -0.29 0.00 1.18 0.00 0.00 52.55 54.30 1bfi s ASP 2 Cb 0.00 -1.38 -0.10 0.00 -0.34 0.00 0.00 42.92 41.10 1bfi s ASP 2 CO 0.00 -2.34 1.18 -0.76 0.68 0.00 0.00 175.17 173.93 1bfi s LEU 3 N -5.87 4.50 0.00 2.11 2.01 -1.26 -4.88 118.68 115.29 1bfi s LEU 3 Ca 0.64 2.42 0.16 0.00 0.01 0.00 0.00 54.13 57.36 1bfi s LEU 3 Cb -0.13 -3.63 0.93 0.00 0.01 0.00 0.00 46.19 43.36 1bfi s LEU 3 CO 0.52 -0.30 1.41 -0.81 1.01 0.00 0.00 176.35 178.18 1bfi n PRO 4 N 1.12 0.42 0.29 1.29 -0.04 -1.26 -2.98 135.00 133.84 1bfi n PRO 4 Ca -0.00 0.04 0.18 0.00 -0.04 0.00 0.00 63.50 63.68 1bfi n PRO 4 Cb 0.44 -1.50 0.86 0.00 -0.04 0.00 0.00 33.50 33.26 1bfi n PRO 4 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1bfi h HIS 5 N 0.00 0.00 -0.04 0.54 3.86 -1.97 -2.15 115.15 115.40 1bfi h HIS 5 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 1bfi h HIS 5 Cb 0.05 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1bfi h HIS 5 CO 0.00 0.04 0.06 0.45 0.86 0.00 0.00 177.93 179.34 1bfi h HIS 6 N 0.00 0.00 -3.25 2.45 3.86 -1.94 -3.40 115.15 112.87 1bfi h HIS 6 Ca -0.00 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.56 1bfi h HIS 6 Cb 0.31 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 28.62 1bfi h HIS 6 CO 0.00 0.00 -0.60 -0.51 0.86 0.00 0.00 177.93 177.68 1bfi s ASP 7 N -5.69 5.37 0.29 2.45 1.01 -0.81 -4.99 116.67 114.30 1bfi s ASP 7 Ca -0.05 0.09 0.11 0.00 0.71 0.00 0.00 52.55 53.41 1bfi s ASP 7 Cb 0.14 -1.75 0.43 0.00 1.01 0.00 0.00 42.92 42.75 1bfi s ASP 7 CO 0.49 0.27 1.66 -0.33 0.21 0.00 0.00 175.17 177.47 1bfi h GLU 8 N 6.00 0.00 -0.14 8.23 5.08 -1.85 -2.97 114.58 128.93 1bfi h GLU 8 Ca -0.42 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1bfi h GLU 8 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1bfi h GLU 8 CO 0.62 0.57 0.08 0.87 -1.00 0.00 0.00 179.01 180.14 1bfi h LYS 9 N 0.00 0.18 -0.12 2.33 6.56 -1.87 5.03 116.57 128.67 1bfi h LYS 9 Ca -0.01 -0.01 -0.09 0.00 -1.06 0.00 0.00 60.65 59.48 1bfi h LYS 9 Cb 1.00 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 32.61 1bfi h LYS 9 CO 0.07 0.13 -0.32 1.79 -2.06 0.00 0.00 179.45 179.07 1bfi h THR 10 N 0.19 1.27 0.00 -0.16 1.35 -1.46 -3.35 112.91 110.74 1bfi h THR 10 Ca 0.05 -1.27 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 1bfi h THR 10 Cb 0.00 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1bfi h THR 10 CO -0.01 0.38 0.00 -2.67 -0.25 0.00 0.00 175.52 172.97 1bfi n TRP 11 N -4.11 0.00 -3.38 4.73 4.27 -0.72 -0.83 117.44 117.40 1bfi n TRP 11 Ca -0.01 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.20 1bfi n TRP 11 Cb 0.41 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.27 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 -0.15 6.23 -0.13 -0.67 2.47 1.64 0.27 114.94 124.59 1bfi s ASN 12 Ca 0.00 0.06 0.21 0.00 0.42 0.00 0.00 52.86 53.55 1bfi s ASN 12 Cb 0.00 -2.21 0.45 0.00 -1.45 0.00 0.00 41.25 38.04 1bfi s ASN 12 CO 0.00 -0.27 1.17 0.52 -3.72 0.00 0.00 177.10 174.80 1bfi n VAL 13 N 5.20 0.93 -0.16 -5.21 0.31 -0.04 -4.58 118.33 114.77 1bfi n VAL 13 Ca -0.08 -2.15 0.27 0.00 -0.01 0.00 0.00 64.34 62.36 1bfi n VAL 13 Cb 0.50 0.67 0.71 0.00 -0.91 0.00 0.00 33.84 34.81 1bfi n VAL 13 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1bfi h GLY 14 N 1.50 0.04 1.16 2.92 0.00 -1.89 0.30 103.07 107.10 1bfi h GLY 14 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1bfi h GLY 14 CO 0.16 -0.00 0.54 1.76 0.00 0.00 0.00 176.54 179.00 1bfi h SER 15 N 0.02 0.98 -3.93 0.19 0.02 -1.91 -3.43 113.55 105.50 1bfi h SER 15 Ca 0.40 -0.04 -0.52 0.00 -0.84 0.00 0.00 61.79 60.80 1bfi h SER 15 Cb 1.59 -0.25 0.07 0.00 0.14 0.00 0.00 62.40 63.95 1bfi h SER 15 CO -0.01 0.73 0.59 -0.44 -1.14 0.00 0.00 176.83 176.56 1bfi s SER 16 N -6.28 6.48 0.67 3.07 0.01 0.10 -5.02 113.70 112.74 1bfi s SER 16 Ca -0.12 2.60 -0.08 0.00 1.31 0.00 0.00 55.95 59.65 1bfi s SER 16 Cb 0.18 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.80 1bfi s SER 16 CO 0.80 -0.72 1.01 0.21 0.41 0.00 0.00 173.24 174.94 1bfi s ASN 17 N -0.75 5.30 0.24 2.44 2.47 -1.26 -4.80 114.94 118.57 1bfi s ASN 17 Ca 0.55 0.80 -0.06 0.00 0.42 0.00 0.00 52.86 54.57 1bfi s ASN 17 Cb -0.37 -1.63 0.27 0.00 -1.45 0.00 0.00 41.25 38.07 1bfi s ASN 17 CO 0.48 -1.33 1.91 -0.09 -3.72 0.00 0.00 177.10 174.34 1bfi h ARG 18 N -0.49 1.20 -0.44 0.43 2.43 -1.95 0.44 114.38 116.00 1bfi h ARG 18 Ca -0.45 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 58.65 1bfi h ARG 18 Cb 1.27 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 1bfi h ARG 18 CO 0.62 0.79 0.29 -0.97 -1.51 0.00 0.00 179.97 179.19 1bfi h ASN 19 N 1.23 0.49 0.07 -3.80 -1.24 -2.01 -0.58 115.58 109.74 1bfi h ASN 19 Ca 0.36 -0.01 -0.10 0.00 0.71 0.00 0.00 56.30 57.26 1bfi h ASN 19 Cb -0.07 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 38.85 1bfi h ASN 19 CO -0.10 0.35 -0.32 0.50 -1.29 0.00 0.00 177.43 176.57 1bfi h LYS 20 N 0.59 0.37 -0.65 6.67 3.64 -1.71 -2.71 116.57 122.76 1bfi h LYS 20 Ca 0.17 -0.15 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1bfi h LYS 20 Cb -0.05 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 1bfi h LYS 20 CO -0.05 0.65 0.42 0.00 -2.27 0.00 0.00 179.45 178.21 1bfi h ALA 21 N 1.34 0.84 -0.38 5.00 0.00 0.98 0.20 119.26 127.24 1bfi h ALA 21 Ca 0.04 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1bfi h ALA 21 Cb 0.73 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1bfi h ALA 21 CO 0.06 0.21 0.08 0.93 0.00 0.00 0.00 179.25 180.53 1bfi h GLU 22 N 0.84 0.20 -0.57 0.00 5.08 -0.83 1.96 114.58 121.28 1bfi h GLU 22 Ca 0.25 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1bfi h GLU 22 Cb -0.04 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1bfi h GLU 22 CO -0.08 0.13 0.35 -0.97 -1.00 0.00 0.00 179.01 177.45 1bfi h ASN 23 N 0.21 0.67 -0.66 1.42 -1.24 -1.23 1.97 115.58 116.71 1bfi h ASN 23 Ca 0.18 -0.04 -0.05 0.00 0.71 0.00 0.00 56.30 57.09 1bfi h ASN 23 Cb 0.21 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.06 1bfi h ASN 23 CO -0.24 0.51 0.20 -0.07 -1.29 0.00 0.00 177.43 176.55 1bfi h LEU 24 N 0.76 0.97 -0.90 0.34 3.38 0.11 0.60 115.31 120.57 1bfi h LEU 24 Ca 0.20 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1bfi h LEU 24 Cb -0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1bfi h LEU 24 CO -0.04 0.92 -0.43 -0.07 0.09 0.00 0.00 178.44 178.91 1bfi h LEU 25 N 0.96 0.27 -0.56 1.67 3.38 0.40 -1.55 115.31 119.89 1bfi h LEU 25 Ca 0.21 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1bfi h LEU 25 Cb 0.31 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1bfi h LEU 25 CO -0.01 0.67 0.00 0.54 0.09 0.00 0.00 178.44 179.74 1bfi n ARG 26 N -4.01 1.38 -0.17 1.13 1.74 0.66 -3.34 116.66 114.04 1bfi n ARG 26 Ca -0.02 -0.56 0.06 0.00 -0.77 0.00 0.00 57.85 56.57 1bfi n ARG 26 Cb 0.50 -1.41 0.15 0.00 -1.02 0.00 0.00 32.46 30.68 1bfi n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bfi n GLY 27 N 1.02 2.29 3.12 -0.13 0.00 0.20 -4.98 105.19 106.71 1bfi n GLY 27 Ca 0.18 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 1bfi n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bfi s LYS 28 N -1.01 0.63 0.59 1.61 -2.85 -1.19 -5.03 119.74 112.49 1bfi s LYS 28 Ca 0.24 -0.96 -0.07 0.00 -1.00 0.00 0.00 55.97 54.19 1bfi s LYS 28 Cb 0.13 0.24 0.00 0.00 -2.06 0.00 0.00 37.83 36.14 1bfi s LYS 28 CO 0.17 -0.15 0.91 0.50 0.10 0.00 0.00 175.35 176.88 1bfi s ARG 29 N -3.28 3.03 0.98 1.78 3.52 -1.26 -4.96 118.95 118.76 1bfi s ARG 29 Ca 0.01 0.10 -0.16 0.00 -0.13 0.00 0.00 55.73 55.55 1bfi s ARG 29 Cb 0.03 -2.25 -0.11 0.00 -1.56 0.00 0.00 34.95 31.06 1bfi s ARG 29 CO -0.08 -0.65 -0.51 -0.25 -0.81 0.00 0.00 175.30 173.00 1bfi n ASP 30 N -2.58 -5.07 0.00 -2.12 8.00 -1.26 -2.26 116.55 111.26 1bfi n ASP 30 Ca 0.04 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.77 1bfi n ASP 30 Cb 0.57 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 1bfi n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bfi n GLY 31 N 3.01 2.78 3.68 0.44 0.00 -1.16 -4.97 105.19 108.96 1bfi n GLY 31 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.03 4.96 0.32 2.61 2.01 -0.96 -2.13 115.64 121.42 1bfi s THR 32 Ca 0.00 1.45 0.03 0.00 0.31 0.00 0.00 61.69 63.48 1bfi s THR 32 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1bfi s THR 32 CO 0.00 0.10 0.12 0.72 -0.69 0.00 0.00 174.62 174.87 1bfi s PHE 33 N 1.81 1.69 0.19 4.92 -0.71 -0.75 -3.08 117.98 122.05 1bfi s PHE 33 Ca 0.35 -1.23 -0.12 0.00 -1.04 0.00 0.00 56.93 54.89 1bfi s PHE 33 Cb -0.17 -1.01 0.00 0.00 -1.21 0.00 0.00 43.02 40.64 1bfi s PHE 33 CO 0.13 -0.33 0.38 -0.48 -1.34 0.00 0.00 175.22 173.58 1bfi s LEU 34 N -3.42 0.60 -0.05 -1.99 0.05 0.61 -2.14 118.68 112.33 1bfi s LEU 34 Ca 0.34 -0.81 0.02 0.00 0.05 0.00 0.00 54.13 53.73 1bfi s LEU 34 Cb 0.06 1.54 -0.03 0.00 -2.05 0.00 0.00 46.19 45.71 1bfi s LEU 34 CO 0.16 -0.99 -0.11 -0.69 -0.55 0.00 0.00 176.35 174.17 1bfi s VAL 35 N -3.96 3.38 0.36 1.48 1.01 0.76 -0.36 120.40 123.06 1bfi s VAL 35 Ca 0.17 -0.63 -0.09 0.00 0.00 0.00 0.00 61.98 61.44 1bfi s VAL 35 Cb 0.01 -2.36 0.03 0.00 0.00 0.00 0.00 36.38 34.06 1bfi s VAL 35 CO 0.02 0.58 0.62 0.00 0.00 0.00 0.00 175.10 176.32 1bfi s ARG 36 N -0.82 2.05 0.66 2.72 1.70 -0.10 -0.86 118.95 124.29 1bfi s ARG 36 Ca 0.12 -1.59 -0.05 0.00 -0.47 0.00 0.00 55.73 53.75 1bfi s ARG 36 Cb -0.11 0.53 0.05 0.00 -0.57 0.00 0.00 34.95 34.85 1bfi s ARG 36 CO 0.01 -0.90 0.95 -1.83 -1.08 0.00 0.00 175.30 172.45 1bfi s GLU 37 N -2.77 2.32 0.00 3.89 1.03 -1.26 -1.17 118.70 120.74 1bfi s GLU 37 Ca 0.23 -0.37 0.02 0.00 0.03 0.00 0.00 54.97 54.87 1bfi s GLU 37 Cb -0.03 -2.25 0.09 0.00 -0.80 0.00 0.00 34.13 31.14 1bfi s GLU 37 CO 0.16 -1.08 0.89 -1.13 -1.33 0.00 0.00 175.26 172.77 1bfi n SER 38 N -2.76 0.00 0.00 0.83 3.41 1.96 -4.39 113.62 112.67 1bfi n SER 38 Ca 0.08 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.07 1bfi n SER 38 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 1bfi n SER 38 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1bfi n SER 39 N -0.53 0.00 -0.42 4.04 7.64 -1.26 -3.39 113.62 119.70 1bfi n SER 39 Ca 0.01 0.00 0.13 0.00 1.01 0.00 0.00 58.87 60.02 1bfi n SER 39 Cb 0.01 0.00 0.41 0.00 -1.01 0.00 0.00 64.21 63.61 1bfi n SER 39 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1bfi n LYS 40 N 6.66 1.36 0.07 1.43 5.02 -1.26 -4.02 118.16 127.41 1bfi n LYS 40 Ca 0.00 -0.84 -0.04 0.00 -2.02 0.00 0.00 58.31 55.40 1bfi n LYS 40 Cb 0.00 -1.48 0.17 0.00 -0.02 0.00 0.00 35.03 33.69 1bfi n LYS 40 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1bfi h GLN 41 N 2.06 0.30 0.00 1.97 4.15 -1.96 -3.46 115.11 118.17 1bfi h GLN 41 Ca 0.00 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.25 1bfi h GLN 41 Cb 0.55 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1bfi h GLN 41 CO 0.00 0.72 0.00 0.41 -1.93 0.00 0.00 178.83 178.03 1bfi n GLY 42 N -0.01 0.48 3.93 2.39 0.00 -1.26 -5.06 105.19 105.68 1bfi n GLY 42 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.39 2.99 -0.07 0.00 2.02 -1.02 0.52 117.35 119.39 1bfi s TYR 44 Ca 0.50 -0.20 -0.30 0.00 -0.37 0.00 0.00 57.07 56.69 1bfi s TYR 44 Cb -0.07 -1.56 0.07 0.00 -0.40 0.00 0.00 41.96 40.01 1bfi s TYR 44 CO 0.30 0.38 0.69 0.00 -1.57 0.00 0.00 175.55 175.35 1bfi s ALA 45 N -2.22 -1.77 -0.19 3.71 0.00 -0.32 0.08 121.76 121.05 1bfi s ALA 45 Ca 0.36 1.40 -0.03 0.00 0.00 0.00 0.00 51.96 53.69 1bfi s ALA 45 Cb -0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1bfi s ALA 45 CO 0.25 -0.37 -0.05 0.00 0.00 0.00 0.00 175.76 175.60 1bfi s SER 47 N 1.00 6.94 0.11 0.00 0.01 0.51 0.12 113.70 122.39 1bfi s SER 47 Ca 0.00 1.12 0.03 0.00 1.31 0.00 0.00 55.95 58.41 1bfi s SER 47 Cb -0.15 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.74 1bfi s SER 47 CO 0.00 0.29 -0.09 -0.69 0.41 0.00 0.00 173.24 173.17 1bfi s VAL 48 N -1.06 0.92 -0.09 3.43 1.01 -0.30 -0.29 120.40 124.02 1bfi s VAL 48 Ca 0.26 -1.79 0.01 0.00 0.00 0.00 0.00 61.98 60.46 1bfi s VAL 48 Cb -0.18 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1bfi s VAL 48 CO 0.16 -0.68 -0.11 -0.69 0.00 0.00 0.00 175.10 173.78 1bfi s VAL 49 N -2.92 3.27 0.22 2.92 1.01 -1.18 -1.15 120.40 122.57 1bfi s VAL 49 Ca 0.09 -0.62 0.09 0.00 0.00 0.00 0.00 61.98 61.55 1bfi s VAL 49 Cb 0.00 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 1bfi s VAL 49 CO -0.01 0.56 -0.18 0.54 0.00 0.00 0.00 175.10 176.02 1bfi s VAL 50 N -0.31 2.02 -0.58 2.92 0.11 -0.54 -3.01 120.40 121.02 1bfi s VAL 50 Ca 0.03 -2.19 -0.07 0.00 -2.93 0.00 0.00 61.98 56.82 1bfi s VAL 50 Cb -0.13 -2.08 -0.07 0.00 -1.53 0.00 0.00 36.38 32.58 1bfi s VAL 50 CO 0.03 -0.44 1.73 -0.67 -3.33 0.00 0.00 175.10 172.42 1bfi n ASP 51 N -0.26 2.97 0.00 3.54 -0.08 -1.26 -2.30 116.55 119.17 1bfi n ASP 51 Ca -0.09 -2.28 0.00 0.00 -1.51 0.00 0.00 54.79 50.91 1bfi n ASP 51 Cb 0.59 -0.89 0.00 0.00 2.34 0.00 0.00 41.12 43.16 1bfi n ASP 51 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bfi n GLY 52 N 4.00 0.80 3.47 0.27 0.00 -1.26 -5.13 105.19 107.33 1bfi n GLY 52 Ca 0.32 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.17 1bfi n GLY 52 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bfi s GLU 53 N 0.00 1.15 -0.14 1.61 2.12 -0.97 -5.13 118.70 117.33 1bfi s GLU 53 Ca 0.00 -0.44 -0.22 0.00 0.36 0.00 0.00 54.97 54.68 1bfi s GLU 53 Cb 0.00 0.52 -0.03 0.00 0.26 0.00 0.00 34.13 34.88 1bfi s GLU 53 CO 0.00 -0.50 0.66 0.08 -0.54 0.00 0.00 175.26 174.95 1bfi s VAL 54 N -3.55 5.03 0.20 3.70 1.01 -1.26 -1.46 120.40 124.07 1bfi s VAL 54 Ca 0.03 1.29 0.09 0.00 0.00 0.00 0.00 61.98 63.39 1bfi s VAL 54 Cb -0.01 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1bfi s VAL 54 CO -0.11 0.17 -0.09 -0.54 0.00 0.00 0.00 175.10 174.54 1bfi s LYS 55 N 1.43 2.07 -0.20 2.72 3.01 -0.30 -4.96 119.74 123.51 1bfi s LYS 55 Ca 0.32 -1.32 -0.01 0.00 -1.01 0.00 0.00 55.97 53.95 1bfi s LYS 55 Cb -0.16 -2.13 0.01 0.00 -1.01 0.00 0.00 37.83 34.53 1bfi s LYS 55 CO 0.13 0.42 -0.13 -1.01 0.51 0.00 0.00 175.35 175.27 1bfi s HIS 56 N -1.86 2.87 -0.20 3.18 3.76 -1.26 -1.15 115.29 120.62 1bfi s HIS 56 Ca 0.26 -1.35 -0.18 0.00 -0.15 0.00 0.00 55.06 53.65 1bfi s HIS 56 Cb -0.08 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.57 1bfi s HIS 56 CO 0.16 -0.70 0.49 0.00 -0.85 0.00 0.00 174.74 173.84 1bfi s VAL 58 N 1.59 5.29 -0.10 0.00 0.11 -1.26 0.26 120.40 126.29 1bfi s VAL 58 Ca 0.22 0.55 0.04 0.00 -2.93 0.00 0.00 61.98 59.86 1bfi s VAL 58 Cb -0.15 -3.61 -0.00 0.00 -1.53 0.00 0.00 36.38 31.09 1bfi s VAL 58 CO 0.09 0.46 -0.23 -0.63 -3.33 0.00 0.00 175.10 171.46 1bfi s ILE 59 N -0.04 2.17 -0.20 7.04 1.01 0.11 -4.72 121.20 126.58 1bfi s ILE 59 Ca 0.17 -0.98 -0.04 0.00 0.00 0.00 0.00 60.65 59.81 1bfi s ILE 59 Cb -0.13 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 1bfi s ILE 59 CO 0.05 0.56 -0.05 0.20 0.00 0.00 0.00 174.94 175.71 1bfi s ASN 60 N 0.31 4.42 -0.40 3.58 0.01 -0.43 -2.44 114.94 119.99 1bfi s ASN 60 Ca -0.17 -0.31 -0.01 0.00 -0.71 0.00 0.00 52.86 51.66 1bfi s ASN 60 Cb -0.18 -1.74 0.32 0.00 0.41 0.00 0.00 41.25 40.06 1bfi s ASN 60 CO 0.08 0.05 1.94 0.29 -1.51 0.00 0.00 177.10 177.95 1bfi n LYS 61 N 4.35 2.03 -2.92 -0.60 5.02 -1.26 0.23 118.16 125.01 1bfi n LYS 61 Ca -0.18 -2.07 -0.17 0.00 -2.02 0.00 0.00 58.31 53.87 1bfi n LYS 61 Cb 0.51 -1.81 0.02 0.00 -0.02 0.00 0.00 35.03 33.74 1bfi n LYS 61 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1bfi n THR 62 N -0.15 0.00 0.00 -0.18 -1.04 -1.26 -4.76 114.28 106.90 1bfi n THR 62 Ca 0.40 -1.55 0.00 0.00 -2.04 0.00 0.00 64.05 60.86 1bfi n THR 62 Cb 0.73 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.89 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 -2.30 0.23 1.12 2.41 0.00 -1.26 0.26 120.51 120.98 1bfi n ALA 63 Ca -0.12 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.46 1bfi n ALA 63 Cb 0.46 -0.21 0.61 0.00 0.00 0.00 0.00 19.45 20.30 1bfi n ALA 63 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bfi n THR 64 N -1.02 0.00 -2.61 0.00 -2.24 -1.26 -4.97 114.28 102.18 1bfi n THR 64 Ca 0.00 -0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.71 1bfi n THR 64 Cb 0.32 -0.38 0.01 0.00 -2.10 0.00 0.00 70.33 68.18 1bfi n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bfi n GLY 65 N 1.44 -1.23 7.00 3.38 0.00 0.74 -4.67 105.19 111.86 1bfi n GLY 65 Ca 0.09 1.02 0.00 0.00 0.00 0.00 0.00 46.02 47.13 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 -0.33 0.00 -4.22 1.61 4.01 0.63 -4.66 117.16 114.20 1bfi n TYR 66 Ca 0.10 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.69 1bfi n TYR 66 Cb 0.38 0.01 -0.09 0.00 -0.31 0.00 0.00 39.34 39.33 1bfi n TYR 66 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1bfi s GLY 67 N -0.25 1.76 -1.50 2.72 0.00 -1.26 -1.31 107.32 107.49 1bfi s GLY 67 Ca 0.00 -1.82 -0.06 0.00 0.00 0.00 0.00 44.72 42.84 1bfi s GLY 67 CO 0.00 -1.39 0.74 0.69 0.00 0.00 0.00 173.10 173.14 1bfi n PHE 68 N -0.42 -2.17 0.96 1.90 3.01 -1.26 -4.85 117.46 114.62 1bfi n PHE 68 Ca 0.04 0.64 0.12 0.00 1.01 0.00 0.00 57.45 59.26 1bfi n PHE 68 Cb 0.64 -4.46 0.28 0.00 -0.01 0.00 0.00 39.48 35.94 1bfi n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1bfi n ALA 69 N -3.92 2.49 -0.08 4.37 0.00 -1.26 -4.27 120.51 117.84 1bfi n ALA 69 Ca -0.07 -0.69 -0.01 0.00 0.00 0.00 0.00 53.44 52.67 1bfi n ALA 69 Cb 0.60 -0.97 0.24 0.00 0.00 0.00 0.00 19.45 19.32 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 3.58 0.71 -0.58 0.00 3.07 -1.93 -1.82 114.58 117.60 1bfi h GLU 70 Ca 0.00 -0.14 0.00 0.00 -0.50 0.00 0.00 59.36 58.72 1bfi h GLU 70 Cb 0.77 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.57 1bfi h GLU 70 CO 0.00 0.65 0.00 -0.35 -1.40 0.00 0.00 179.01 177.91 1bfi n PRO 71 N -4.29 1.63 -3.33 2.33 -0.04 -1.26 -4.85 135.00 125.19 1bfi n PRO 71 Ca 0.03 -0.63 -0.23 0.00 -0.04 0.00 0.00 63.50 62.63 1bfi n PRO 71 Cb 0.22 -1.43 0.06 0.00 -0.04 0.00 0.00 33.50 32.31 1bfi n PRO 71 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1bfi n TYR 72 N 0.06 -2.47 -3.46 0.54 4.01 -0.69 -4.95 117.16 110.21 1bfi n TYR 72 Ca 0.06 0.79 -0.26 0.00 -0.16 0.00 0.00 57.90 58.32 1bfi n TYR 72 Cb 0.31 -4.80 -0.09 0.00 -0.31 0.00 0.00 39.34 34.45 1bfi n TYR 72 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1bfi n ASN 73 N -2.78 1.15 -4.05 7.72 4.05 -1.26 -5.05 115.26 115.05 1bfi n ASN 73 Ca -0.05 -2.82 -0.32 0.00 0.45 0.00 0.00 54.58 51.85 1bfi n ASN 73 Cb 0.59 -0.64 -0.15 0.00 1.23 0.00 0.00 39.78 40.81 1bfi n ASN 73 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 1bfi s LEU 74 N -1.02 4.27 0.71 1.20 0.05 -1.26 -4.67 118.68 117.95 1bfi s LEU 74 Ca 0.33 -1.84 -0.14 0.00 0.05 0.00 0.00 54.13 52.53 1bfi s LEU 74 Cb 0.07 -1.61 0.03 0.00 -2.05 0.00 0.00 46.19 42.63 1bfi s LEU 74 CO -0.14 -0.31 1.13 -0.31 -0.55 0.00 0.00 176.35 176.17 1bfi s TYR 75 N 1.00 2.43 -0.88 3.48 1.51 -1.26 -4.93 117.35 118.69 1bfi s TYR 75 Ca 0.03 1.58 0.26 0.00 -1.01 0.00 0.00 57.07 57.93 1bfi s TYR 75 Cb -0.20 -3.22 0.72 0.00 -0.11 0.00 0.00 41.96 39.16 1bfi s TYR 75 CO -0.06 -1.97 1.59 -1.13 -1.11 0.00 0.00 175.55 172.87 1bfi n SER 76 N -2.80 0.44 -4.48 2.29 3.41 -1.26 -4.84 113.62 106.38 1bfi n SER 76 Ca 0.11 0.16 -0.32 0.00 -0.26 0.00 0.00 58.87 58.56 1bfi n SER 76 Cb 0.52 -0.13 -0.13 0.00 -0.26 0.00 0.00 64.21 64.21 1bfi n SER 76 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1bfi s SER 77 N -3.49 4.02 0.28 4.04 0.15 -1.26 -5.01 113.70 112.44 1bfi s SER 77 Ca 0.11 -0.25 -0.03 0.00 0.70 0.00 0.00 55.95 56.48 1bfi s SER 77 Cb 0.16 -0.81 0.39 0.00 -1.71 0.00 0.00 66.02 64.06 1bfi s SER 77 CO 0.64 0.32 1.91 -0.07 1.20 0.00 0.00 173.24 177.24 1bfi h LEU 78 N 5.05 0.93 -1.10 3.45 3.38 -2.00 -1.70 115.31 123.33 1bfi h LEU 78 Ca -0.47 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.44 1bfi h LEU 78 Cb 1.15 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 1bfi h LEU 78 CO 0.50 0.75 0.61 0.11 0.09 0.00 0.00 178.44 180.50 1bfi h LYS 79 N 1.04 1.19 -0.49 1.13 1.79 -1.95 -0.35 116.57 118.94 1bfi h LYS 79 Ca 0.26 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.60 1bfi h LYS 79 Cb 0.03 -0.27 -0.02 0.00 -1.58 0.00 0.00 32.23 30.39 1bfi h LYS 79 CO -0.04 0.79 0.05 0.93 -1.08 0.00 0.00 179.45 180.10 1bfi h GLU 80 N 1.23 0.83 -0.67 3.15 4.39 -1.74 0.64 114.58 122.41 1bfi h GLU 80 Ca 0.34 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1bfi h GLU 80 Cb -0.11 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.42 1bfi h GLU 80 CO -0.08 0.85 0.40 1.25 -1.16 0.00 0.00 179.01 180.26 1bfi h LEU 81 N 0.70 0.82 -0.17 1.33 6.46 -0.65 1.04 115.31 124.84 1bfi h LEU 81 Ca 0.15 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.80 1bfi h LEU 81 Cb 0.44 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1bfi h LEU 81 CO 0.02 0.65 -0.03 0.58 -0.62 0.00 0.00 178.44 179.04 1bfi h VAL 82 N 0.92 1.28 -0.37 1.05 2.07 -0.82 -1.49 116.25 118.88 1bfi h VAL 82 Ca 0.24 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.72 1bfi h VAL 82 Cb -0.01 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1bfi h VAL 82 CO -0.04 0.29 -0.10 -0.07 0.02 0.00 0.00 177.57 177.67 1bfi h LEU 83 N 0.03 0.73 -0.68 2.57 3.38 -0.57 -2.85 115.31 117.91 1bfi h LEU 83 Ca 0.04 -0.37 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1bfi h LEU 83 Cb 0.45 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1bfi h LEU 83 CO 0.01 0.93 0.38 -0.74 0.09 0.00 0.00 178.44 179.11 1bfi h HIS 84 N 0.52 0.93 0.00 1.13 2.76 0.12 -1.46 115.15 119.14 1bfi h HIS 84 Ca 0.09 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.24 1bfi h HIS 84 Cb 0.61 -0.30 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 1bfi h HIS 84 CO 0.05 0.65 -0.02 1.88 -1.30 0.00 0.00 177.93 179.19 1bfi h TYR 85 N 0.93 0.00 -0.33 5.26 -1.99 -1.19 0.07 116.97 119.72 1bfi h TYR 85 Ca 0.24 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.90 1bfi h TYR 85 Cb 0.03 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.74 1bfi h TYR 85 CO -0.01 0.02 -0.09 0.37 -0.00 0.00 0.00 178.16 178.45 1bfi h GLN 86 N 0.00 0.55 0.00 4.88 4.15 -1.03 -2.78 115.11 120.88 1bfi h GLN 86 Ca -0.00 -0.15 -0.13 0.00 0.77 0.00 0.00 58.65 59.14 1bfi h GLN 86 Cb 0.05 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1bfi h GLN 86 CO 0.00 0.65 -0.90 0.45 -1.93 0.00 0.00 178.83 177.10 1bfi h HIS 87 N 0.51 0.00 -3.35 3.99 3.86 -0.92 -3.40 115.15 115.84 1bfi h HIS 87 Ca 0.10 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.74 1bfi h HIS 87 Cb 0.48 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.88 1bfi h HIS 87 CO 0.02 0.52 0.01 0.99 0.86 0.00 0.00 177.93 180.32 1bfi s THR 88 N -2.96 5.10 0.07 2.45 2.01 -0.54 -5.03 115.64 116.74 1bfi s THR 88 Ca 0.01 1.24 -0.28 0.00 0.31 0.00 0.00 61.69 62.96 1bfi s THR 88 Cb 0.08 -3.95 -0.05 0.00 0.01 0.00 0.00 72.50 68.59 1bfi s THR 88 CO 0.78 0.26 0.90 -0.44 -0.69 0.00 0.00 174.62 175.43 1bfi s SER 89 N 0.77 7.38 0.48 3.53 0.01 -1.26 -4.68 113.70 119.93 1bfi s SER 89 Ca 0.32 1.65 0.31 0.00 1.31 0.00 0.00 55.95 59.54 1bfi s SER 89 Cb -0.17 -2.55 1.16 0.00 0.21 0.00 0.00 66.02 64.67 1bfi s SER 89 CO 0.14 -0.08 1.89 -0.07 0.41 0.00 0.00 173.24 175.53 1bfi h LEU 90 N 5.88 0.00 -0.71 2.44 3.38 -1.10 -3.33 115.31 121.87 1bfi h LEU 90 Ca -0.43 0.00 0.13 0.00 0.09 0.00 0.00 57.88 57.67 1bfi h LEU 90 Cb 1.21 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 1bfi h LEU 90 CO 0.72 0.00 -0.22 1.33 0.09 0.00 0.00 178.44 180.36 1bfi n VAL 91 N -2.94 -0.33 0.03 1.22 0.24 1.84 0.33 118.33 118.72 1bfi n VAL 91 Ca 0.01 1.65 0.20 0.00 -2.04 0.00 0.00 64.34 64.16 1bfi n VAL 91 Cb 0.33 -2.23 0.71 0.00 -1.47 0.00 0.00 33.84 31.18 1bfi n VAL 91 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1bfi h GLN 92 N 0.00 0.00 -0.59 7.34 4.15 -1.82 7.91 115.11 132.10 1bfi h GLN 92 Ca 0.30 0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.84 1bfi h GLN 92 Cb 0.48 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.07 1bfi h GLN 92 CO -0.72 0.00 0.01 1.25 -1.93 0.00 0.00 178.83 177.44 1bfi h HIS 93 N 0.00 -0.02 0.00 3.99 2.76 0.51 -3.22 115.15 119.17 1bfi h HIS 93 Ca 0.23 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 1bfi h HIS 93 Cb 0.97 0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.03 1bfi h HIS 93 CO 0.00 -0.14 -0.49 -1.71 -1.30 0.00 0.00 177.93 174.29 1bfi n ASN 94 N -5.26 0.00 0.00 3.26 2.85 -0.59 -4.95 115.26 110.58 1bfi n ASN 94 Ca 0.08 -1.98 0.00 0.00 -0.11 0.00 0.00 54.58 52.58 1bfi n ASN 94 Cb 0.33 -0.20 0.00 0.00 1.24 0.00 0.00 39.78 41.16 1bfi n ASN 94 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1bfi n ASP 95 N 0.00 -4.88 -0.07 1.20 2.03 2.52 -4.60 116.55 112.75 1bfi n ASP 95 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1bfi n ASP 95 Cb 0.70 -3.30 0.00 0.00 -0.72 0.00 0.00 41.12 37.79 1bfi n ASP 95 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1bfi n SER 96 N -0.80 0.29 -3.90 1.67 3.41 -0.89 -4.86 113.62 108.53 1bfi n SER 96 Ca 0.00 -1.30 -0.40 0.00 -0.26 0.00 0.00 58.87 56.91 1bfi n SER 96 Cb 0.41 -0.04 -0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1bfi n SER 96 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1bfi n LEU 97 N -0.09 6.01 -3.68 1.04 4.77 -1.22 -4.88 117.00 118.95 1bfi n LEU 97 Ca 0.00 -5.26 -0.42 0.00 -0.03 0.00 0.00 56.01 50.31 1bfi n LEU 97 Cb 0.50 -1.17 -0.01 0.00 -2.33 0.00 0.00 43.42 40.41 1bfi n LEU 97 CO 0.00 1.76 2.63 -0.46 -1.33 0.00 0.00 177.39 179.99 1bfi n ASN 98 N 1.22 3.93 -3.55 -1.43 6.94 -1.26 0.50 115.26 121.60 1bfi n ASN 98 Ca 0.27 -2.79 -0.12 0.00 -0.02 0.00 0.00 54.58 51.92 1bfi n ASN 98 Cb 0.34 -1.55 -0.04 0.00 -2.36 0.00 0.00 39.78 36.17 1bfi n ASN 98 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1bfi s VAL 99 N 3.45 0.04 0.21 3.53 1.01 -1.26 -4.91 120.40 122.47 1bfi s VAL 99 Ca 0.50 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.22 1bfi s VAL 99 Cb 0.14 -1.05 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1bfi s VAL 99 CO -0.05 -0.16 -0.03 0.42 0.00 0.00 0.00 175.10 175.27 1bfi s THR 100 N -3.29 1.08 -1.43 3.92 -4.23 -1.26 -1.54 115.64 108.88 1bfi s THR 100 Ca -0.01 -2.04 -0.12 0.00 -1.18 0.00 0.00 61.69 58.34 1bfi s THR 100 Cb 0.00 -2.22 0.06 0.00 1.34 0.00 0.00 72.50 71.68 1bfi s THR 100 CO -0.09 -0.43 2.26 0.18 -0.54 0.00 0.00 174.62 176.00 1bfi n LEU 101 N -0.36 7.15 -0.05 4.79 4.32 -1.21 -4.49 117.00 127.14 1bfi n LEU 101 Ca -0.06 -4.33 -0.03 0.00 -0.02 0.00 0.00 56.01 51.56 1bfi n LEU 101 Cb 0.63 -1.59 -0.15 0.00 -1.62 0.00 0.00 43.42 40.69 1bfi n LEU 101 CO 0.36 1.36 -0.90 0.00 -1.22 0.00 0.00 177.39 176.98 1bfi n ALA 102 N 5.00 1.87 -2.90 -1.18 0.00 -1.24 -3.97 120.51 118.09 1bfi n ALA 102 Ca 0.53 -0.99 -0.33 0.00 0.00 0.00 0.00 53.44 52.65 1bfi n ALA 102 Cb 0.35 -0.47 -0.13 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.80 2.85 0.32 0.00 2.02 -0.90 -5.00 117.35 113.84 1bfi s TYR 103 Ca -0.08 -0.42 -0.27 0.00 -0.37 0.00 0.00 57.07 55.93 1bfi s TYR 103 Cb 0.08 -1.82 -0.09 0.00 -0.40 0.00 0.00 41.96 39.73 1bfi s TYR 103 CO 0.85 -0.05 1.04 -1.25 -1.57 0.00 0.00 175.55 174.56 1bfi s PRO 104 N 0.05 4.50 0.15 -1.71 0.04 -1.26 -1.81 135.00 134.95 1bfi s PRO 104 Ca -0.03 1.60 0.01 0.00 0.04 0.00 0.00 61.00 62.62 1bfi s PRO 104 Cb -0.14 -2.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.42 1bfi s PRO 104 CO 0.04 0.14 1.34 -0.24 0.04 0.00 0.00 177.00 178.32 1bfi h VAL 105 N 2.72 1.50 -2.14 -0.36 3.04 -0.51 -3.38 116.25 117.13 1bfi h VAL 105 Ca -0.47 -2.70 -0.54 0.00 -1.01 0.00 0.00 66.70 61.99 1bfi h VAL 105 Cb 1.21 2.53 -0.41 0.00 -2.01 0.00 0.00 31.29 32.61 1bfi h VAL 105 CO 0.65 0.79 -0.92 -1.22 -1.01 0.00 0.00 177.57 175.86 1bfi n TYR 106 N -3.63 2.07 -3.16 3.17 4.01 -0.01 -5.02 117.16 114.59 1bfi n TYR 106 Ca -0.04 -3.91 -0.39 0.00 -0.16 0.00 0.00 57.90 53.40 1bfi n TYR 106 Cb 0.84 -0.45 -0.05 0.00 -0.31 0.00 0.00 39.34 39.36 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 -2.88 3.46 0.27 -0.72 0.00 -1.25 -3.13 121.76 117.50 1bfi s ALA 107 Ca 0.44 0.08 -0.29 0.00 0.00 0.00 0.00 51.96 52.19 1bfi s ALA 107 Cb 0.31 -2.80 -0.09 0.00 0.00 0.00 0.00 23.12 20.54 1bfi s ALA 107 CO -0.11 0.14 1.14 -0.65 0.00 0.00 0.00 175.76 176.28 1bfi s GLN 108 N -0.16 4.59 0.00 0.00 -0.21 -1.26 -4.92 119.66 117.70 1bfi s GLN 108 Ca 0.33 1.86 0.26 0.00 0.02 0.00 0.00 55.36 57.82 1bfi s GLN 108 Cb -0.19 -3.18 0.74 0.00 1.00 0.00 0.00 33.01 31.38 1bfi s GLN 108 CO 0.18 0.13 1.56 0.94 -2.12 0.00 0.00 175.29 175.99 1bfi n GLN 109 N 1.32 1.91 -0.30 2.91 7.27 -1.26 -4.24 117.38 124.99 1bfi n GLN 109 Ca -0.00 -1.33 -0.05 0.00 0.07 0.00 0.00 57.00 55.69 1bfi n GLN 109 Cb 0.44 -1.47 0.07 0.00 2.41 0.00 0.00 30.24 31.70 1bfi n GLN 109 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1bfi h ARG 110 N 3.13 1.16 -0.03 3.69 3.08 -2.05 -3.57 114.38 119.80 1bfi h ARG 110 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1bfi h ARG 110 Cb 0.67 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1bfi h ARG 110 CO 0.00 0.87 0.00 0.54 -1.07 0.00 0.00 179.97 180.31