#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 7.06 -0.17 1.62 2.15 -1.26 -5.02 116.67 121.05 1bfi s ASP 2 Ca 0.00 1.31 -0.16 0.00 0.43 0.00 0.00 52.55 54.14 1bfi s ASP 2 Cb 0.00 -2.50 -0.04 0.00 -0.30 0.00 0.00 42.92 40.07 1bfi s ASP 2 CO 0.00 -0.50 0.38 -0.76 -0.17 0.00 0.00 175.17 174.11 1bfi s LEU 3 N 2.50 4.21 0.52 -1.34 1.43 -1.26 -4.93 118.68 119.81 1bfi s LEU 3 Ca 0.42 0.56 0.20 0.00 -1.03 0.00 0.00 54.13 54.29 1bfi s LEU 3 Cb -0.16 -2.50 1.09 0.00 0.03 0.00 0.00 46.19 44.64 1bfi s LEU 3 CO 0.11 -0.00 1.56 -0.65 0.23 0.00 0.00 176.35 177.61 1bfi h PRO 4 N 7.02 0.00 0.00 1.29 0.11 -1.95 -0.21 132.00 138.26 1bfi h PRO 4 Ca -0.39 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.71 1bfi h PRO 4 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1bfi h PRO 4 CO 0.74 0.00 -0.05 0.45 -0.21 0.00 0.00 178.00 178.92 1bfi h HIS 5 N 0.00 0.00 -0.50 0.65 3.86 -1.98 -2.42 115.15 114.76 1bfi h HIS 5 Ca 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 1bfi h HIS 5 Cb 0.78 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.23 1bfi h HIS 5 CO 0.00 0.05 -0.05 0.45 0.86 0.00 0.00 177.93 179.24 1bfi h HIS 6 N 0.00 0.94 -3.42 2.45 3.86 -1.44 -3.41 115.15 114.13 1bfi h HIS 6 Ca -0.00 -0.16 -0.60 0.00 -1.16 0.00 0.00 60.37 58.45 1bfi h HIS 6 Cb 0.20 -0.25 -0.12 0.00 1.06 0.00 0.00 27.41 28.31 1bfi h HIS 6 CO 0.00 0.89 -0.32 -0.51 0.86 0.00 0.00 177.93 178.84 1bfi s ASP 7 N -6.65 6.36 0.34 2.45 1.01 -0.91 -4.95 116.67 114.31 1bfi s ASP 7 Ca -0.10 0.42 0.14 0.00 0.71 0.00 0.00 52.55 53.72 1bfi s ASP 7 Cb 0.14 -2.18 0.58 0.00 1.01 0.00 0.00 42.92 42.47 1bfi s ASP 7 CO 0.83 0.03 1.71 -0.33 0.21 0.00 0.00 175.17 177.62 1bfi h GLU 8 N 7.12 0.00 -0.03 8.23 3.07 -1.81 -2.73 114.58 128.42 1bfi h GLU 8 Ca -0.39 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.48 1bfi h GLU 8 Cb 1.16 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.07 1bfi h GLU 8 CO 0.72 0.47 0.07 1.57 -1.40 0.00 0.00 179.01 180.44 1bfi h LYS 9 N 0.00 0.00 -0.10 2.33 5.09 -1.91 2.18 116.57 124.16 1bfi h LYS 9 Ca -0.00 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.67 1bfi h LYS 9 Cb 0.91 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.23 1bfi h LYS 9 CO 0.06 0.00 -0.25 1.79 -2.09 0.00 0.00 179.45 178.96 1bfi h THR 10 N 0.00 1.23 0.00 0.07 1.35 -1.64 -3.38 112.91 110.54 1bfi h THR 10 Ca 0.02 -1.05 0.00 0.00 -0.55 0.00 0.00 66.41 64.82 1bfi h THR 10 Cb 0.16 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1bfi h THR 10 CO -0.00 0.32 -0.52 -2.67 -0.25 0.00 0.00 175.52 172.40 1bfi n TRP 11 N -4.18 0.00 -2.81 4.73 4.27 -0.21 0.11 117.44 119.35 1bfi n TRP 11 Ca -0.01 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.24 1bfi n TRP 11 Cb 0.35 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.23 1bfi n TRP 11 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1bfi s ASN 12 N -2.30 7.18 0.00 -0.67 4.22 0.72 0.46 114.94 124.54 1bfi s ASN 12 Ca 0.00 1.76 0.00 0.00 -2.14 0.00 0.00 52.86 52.48 1bfi s ASN 12 Cb 0.00 -2.56 0.00 0.00 1.28 0.00 0.00 41.25 39.97 1bfi s ASN 12 CO 0.00 -0.17 0.22 1.33 -2.04 0.00 0.00 177.10 176.44 1bfi n VAL 13 N 0.12 0.00 -0.21 3.54 0.24 -0.72 -4.38 118.33 116.92 1bfi n VAL 13 Ca 0.04 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1bfi n VAL 13 Cb 0.52 1.17 0.00 0.00 -1.47 0.00 0.00 33.84 34.05 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 0.29 2.62 3.76 7.63 0.00 -1.26 -4.63 105.19 113.59 1bfi n GLY 14 Ca 0.00 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 1bfi n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bfi s SER 15 N -4.00 6.81 0.14 1.61 0.01 -1.26 -4.27 113.70 112.75 1bfi s SER 15 Ca 0.00 2.59 -0.25 0.00 1.31 0.00 0.00 55.95 59.60 1bfi s SER 15 Cb 0.00 -2.63 0.07 0.00 0.21 0.00 0.00 66.02 63.66 1bfi s SER 15 CO 0.00 -0.54 0.80 -0.94 0.41 0.00 0.00 173.24 172.97 1bfi s SER 16 N -0.14 -0.34 -0.07 2.44 1.04 -1.26 -5.07 113.70 110.30 1bfi s SER 16 Ca 0.53 -0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.69 1bfi s SER 16 Cb -0.39 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 1bfi s SER 16 CO 0.47 -0.95 0.02 0.20 0.98 0.00 0.00 173.24 173.96 1bfi s ASN 17 N -2.77 5.33 0.32 7.02 0.01 -1.26 -4.89 114.94 118.70 1bfi s ASN 17 Ca 0.07 0.15 0.00 0.00 -0.71 0.00 0.00 52.86 52.37 1bfi s ASN 17 Cb -0.02 -1.51 0.52 0.00 0.41 0.00 0.00 41.25 40.65 1bfi s ASN 17 CO -0.03 0.36 1.94 0.03 -1.51 0.00 0.00 177.10 177.89 1bfi h ARG 18 N 4.96 0.89 -0.07 -0.60 3.08 -1.98 -0.79 114.38 119.87 1bfi h ARG 18 Ca -0.51 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.45 1bfi h ARG 18 Cb 1.19 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.06 1bfi h ARG 18 CO 0.56 0.65 0.04 -0.91 -1.07 0.00 0.00 179.97 179.24 1bfi h ASN 19 N 0.90 0.08 0.51 7.04 2.35 -2.01 -1.50 115.58 122.94 1bfi h ASN 19 Ca 0.23 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.91 1bfi h ASN 19 Cb 0.02 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1bfi h ASN 19 CO -0.04 0.06 -0.29 0.07 -1.65 0.00 0.00 177.43 175.58 1bfi h LYS 20 N 0.09 0.00 -0.32 0.81 2.10 -1.90 -1.53 116.57 115.81 1bfi h LYS 20 Ca 0.02 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.66 1bfi h LYS 20 Cb -0.01 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 1bfi h LYS 20 CO -0.01 0.29 0.13 0.00 -2.00 0.00 0.00 179.45 177.87 1bfi h ALA 21 N 1.71 1.64 -0.24 0.07 0.00 -0.17 -0.35 119.26 121.92 1bfi h ALA 21 Ca -0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1bfi h ALA 21 Cb 0.63 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1bfi h ALA 21 CO 0.04 0.29 0.15 0.93 0.00 0.00 0.00 179.25 180.65 1bfi h GLU 22 N 0.44 0.33 -0.58 0.00 5.08 -0.49 1.35 114.58 120.71 1bfi h GLU 22 Ca 0.11 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1bfi h GLU 22 Cb 0.08 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1bfi h GLU 22 CO -0.01 0.26 0.38 -0.91 -1.00 0.00 0.00 179.01 177.73 1bfi h ASN 23 N 0.30 0.66 0.67 1.42 2.35 -1.19 4.67 115.58 124.46 1bfi h ASN 23 Ca 0.09 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1bfi h ASN 23 Cb 0.02 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1bfi h ASN 23 CO -0.02 0.48 -0.24 -0.07 -1.65 0.00 0.00 177.43 175.93 1bfi h LEU 24 N 0.78 0.00 0.00 1.61 3.38 -0.46 -2.23 115.31 118.39 1bfi h LEU 24 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1bfi h LEU 24 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1bfi h LEU 24 CO -0.05 0.24 -0.82 0.18 0.09 0.00 0.00 178.44 178.08 1bfi n LEU 25 N -3.57 0.81 -4.56 1.67 4.77 0.46 -4.79 117.00 111.80 1bfi n LEU 25 Ca -0.01 -0.31 -0.34 0.00 -0.03 0.00 0.00 56.01 55.32 1bfi n LEU 25 Cb 0.38 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.27 1bfi n LEU 25 CO 0.33 0.20 -0.32 -0.13 -1.33 0.00 0.00 177.39 176.14 1bfi s ARG 26 N -3.00 3.66 0.00 3.23 0.52 1.51 -4.41 118.95 120.46 1bfi s ARG 26 Ca 0.09 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.84 1bfi s ARG 26 Cb 0.17 -2.97 0.00 0.00 0.52 0.00 0.00 34.95 32.66 1bfi s ARG 26 CO 0.81 0.31 0.00 0.41 0.02 0.00 0.00 175.30 176.85 1bfi n GLY 27 N 3.35 0.49 3.37 -3.53 0.00 -1.26 -4.74 105.19 102.86 1bfi n GLY 27 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.78 1.38 0.71 1.61 -2.85 -1.26 -5.13 119.74 113.41 1bfi s LYS 28 Ca 0.00 -1.46 -0.11 0.00 -1.00 0.00 0.00 55.97 53.41 1bfi s LYS 28 Cb 0.00 -1.54 0.02 0.00 -2.06 0.00 0.00 37.83 34.25 1bfi s LYS 28 CO 0.00 0.32 1.07 0.50 0.10 0.00 0.00 175.35 177.34 1bfi s ARG 29 N -2.75 2.80 1.13 1.78 3.52 -1.26 -4.94 118.95 119.23 1bfi s ARG 29 Ca 0.18 1.00 -0.13 0.00 -0.13 0.00 0.00 55.73 56.65 1bfi s ARG 29 Cb -0.07 -1.97 0.25 0.00 -1.56 0.00 0.00 34.95 31.60 1bfi s ARG 29 CO 0.08 -1.21 0.95 -0.40 -0.81 0.00 0.00 175.30 173.91 1bfi n ASP 30 N -3.21 -1.44 0.00 -2.12 5.75 -1.26 -3.60 116.55 110.67 1bfi n ASP 30 Ca 0.08 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 1bfi n ASP 30 Cb 0.53 -1.27 0.00 0.00 -1.03 0.00 0.00 41.12 39.35 1bfi n ASP 30 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bfi n GLY 31 N 0.98 2.94 3.65 6.12 0.00 -1.15 -4.98 105.19 112.75 1bfi n GLY 31 Ca 0.04 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.01 4.74 0.16 2.61 2.01 -1.24 -1.92 115.64 120.00 1bfi s THR 32 Ca 0.00 1.83 0.01 0.00 0.31 0.00 0.00 61.69 63.84 1bfi s THR 32 Cb 0.00 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.23 1bfi s THR 32 CO 0.00 -0.14 0.02 0.72 -0.69 0.00 0.00 174.62 174.52 1bfi s PHE 33 N 3.06 1.12 0.22 4.92 -0.71 -0.68 -2.82 117.98 123.09 1bfi s PHE 33 Ca 0.40 -1.08 0.03 0.00 -1.04 0.00 0.00 56.93 55.25 1bfi s PHE 33 Cb -0.15 -0.64 -0.05 0.00 -1.21 0.00 0.00 43.02 40.97 1bfi s PHE 33 CO 0.07 -0.29 0.00 -0.51 -1.34 0.00 0.00 175.22 173.15 1bfi s LEU 34 N -3.14 2.14 -0.18 -1.99 1.02 0.19 -2.95 118.68 113.77 1bfi s LEU 34 Ca 0.24 -1.22 -0.00 0.00 0.02 0.00 0.00 54.13 53.16 1bfi s LEU 34 Cb 0.06 -0.22 0.01 0.00 0.02 0.00 0.00 46.19 46.06 1bfi s LEU 34 CO 0.03 -0.54 -0.14 -0.69 0.02 0.00 0.00 176.35 175.03 1bfi s VAL 35 N -3.48 2.60 0.22 -1.59 1.01 0.17 -0.05 120.40 119.29 1bfi s VAL 35 Ca 0.28 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1bfi s VAL 35 Cb 0.06 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1bfi s VAL 35 CO 0.08 0.50 0.22 -2.11 0.00 0.00 0.00 175.10 173.79 1bfi n ARG 36 N 4.46 0.31 -3.65 2.72 1.85 0.80 -1.76 116.66 121.40 1bfi n ARG 36 Ca -0.20 -2.04 -0.20 0.00 -1.00 0.00 0.00 57.85 54.42 1bfi n ARG 36 Cb 0.51 1.74 -0.01 0.00 -1.05 0.00 0.00 32.46 33.65 1bfi n ARG 36 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1bfi s GLU 37 N -2.77 3.16 0.00 2.89 2.12 -1.26 0.78 118.70 123.63 1bfi s GLU 37 Ca 0.24 -0.97 0.00 0.00 0.36 0.00 0.00 54.97 54.60 1bfi s GLU 37 Cb 0.01 -2.80 0.00 0.00 0.26 0.00 0.00 34.13 31.60 1bfi s GLU 37 CO 0.17 0.17 0.52 0.45 -0.54 0.00 0.00 175.26 176.03 1bfi n SER 38 N -1.54 0.55 0.00 -1.70 2.88 0.45 -4.69 113.62 109.56 1bfi n SER 38 Ca -0.03 -1.59 0.00 0.00 -1.33 0.00 0.00 58.87 55.92 1bfi n SER 38 Cb 0.58 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 1bfi n SER 38 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1bfi n SER 39 N -0.08 0.00 -4.99 -3.46 2.88 -1.26 -4.77 113.62 101.93 1bfi n SER 39 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 1bfi n SER 39 Cb 0.14 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1bfi n SER 39 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1bfi s LYS 40 N 0.00 3.01 -0.39 -1.46 1.02 -1.26 -4.36 119.74 116.30 1bfi s LYS 40 Ca 0.00 -1.10 0.00 0.00 0.02 0.00 0.00 55.97 54.89 1bfi s LYS 40 Cb 0.00 -2.79 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 1bfi s LYS 40 CO 0.00 -0.04 0.00 1.04 -0.92 0.00 0.00 175.35 175.43 1bfi n GLN 41 N -1.70 -1.02 -2.20 1.68 1.13 -1.26 -3.39 117.38 110.61 1bfi n GLN 41 Ca 0.02 0.48 -0.00 0.00 -1.94 0.00 0.00 57.00 55.56 1bfi n GLN 41 Cb 0.58 -4.37 -0.00 0.00 0.11 0.00 0.00 30.24 26.57 1bfi n GLN 41 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bfi n GLY 42 N -1.01 -0.40 3.76 1.08 0.00 -1.26 -4.84 105.19 102.51 1bfi n GLY 42 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.19 3.37 -0.19 0.00 1.51 -0.31 0.17 117.35 121.71 1bfi s TYR 44 Ca 0.35 1.54 -0.19 0.00 -1.01 0.00 0.00 57.07 57.77 1bfi s TYR 44 Cb -0.20 -2.82 0.05 0.00 -0.11 0.00 0.00 41.96 38.88 1bfi s TYR 44 CO 0.21 -0.23 0.54 0.00 -1.11 0.00 0.00 175.55 174.95 1bfi s ALA 45 N -2.38 -1.33 -0.27 3.71 0.00 0.23 0.21 121.76 121.93 1bfi s ALA 45 Ca 0.61 1.48 -0.08 0.00 0.00 0.00 0.00 51.96 53.97 1bfi s ALA 45 Cb -0.09 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1bfi s ALA 45 CO 0.21 -0.26 0.08 0.00 0.00 0.00 0.00 175.76 175.80 1bfi s SER 47 N 1.59 6.62 0.03 0.00 0.01 0.93 -1.64 113.70 121.24 1bfi s SER 47 Ca 0.05 0.74 0.03 0.00 1.31 0.00 0.00 55.95 58.08 1bfi s SER 47 Cb -0.16 -2.29 -0.02 0.00 0.21 0.00 0.00 66.02 63.77 1bfi s SER 47 CO 0.04 -0.07 -0.08 0.68 0.41 0.00 0.00 173.24 174.21 1bfi s VAL 48 N 1.06 0.61 0.09 3.43 -7.23 -0.91 0.54 120.40 117.99 1bfi s VAL 48 Ca 0.25 -0.79 -0.13 0.00 -1.81 0.00 0.00 61.98 59.50 1bfi s VAL 48 Cb -0.15 -0.61 -0.06 0.00 0.56 0.00 0.00 36.38 36.12 1bfi s VAL 48 CO 0.10 -0.15 0.47 -0.69 -0.31 0.00 0.00 175.10 174.52 1bfi s VAL 49 N -0.87 4.97 0.23 1.32 1.01 -1.13 -2.49 120.40 123.45 1bfi s VAL 49 Ca -0.04 0.69 0.10 0.00 0.00 0.00 0.00 61.98 62.73 1bfi s VAL 49 Cb -0.07 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1bfi s VAL 49 CO 0.00 0.33 -0.18 0.54 0.00 0.00 0.00 175.10 175.79 1bfi s VAL 50 N -1.36 2.09 -0.35 2.92 0.11 -0.59 -2.92 120.40 120.30 1bfi s VAL 50 Ca 0.33 -2.24 -0.03 0.00 -2.93 0.00 0.00 61.98 57.12 1bfi s VAL 50 Cb -0.15 -2.13 -0.04 0.00 -1.53 0.00 0.00 36.38 32.53 1bfi s VAL 50 CO 0.18 -0.45 1.53 -0.67 -3.33 0.00 0.00 175.10 172.36 1bfi n ASP 51 N -0.34 2.28 0.00 3.54 -0.08 -1.26 -2.64 116.55 118.04 1bfi n ASP 51 Ca -0.08 -2.07 0.00 0.00 -1.51 0.00 0.00 54.79 51.14 1bfi n ASP 51 Cb 0.59 -0.70 0.00 0.00 2.34 0.00 0.00 41.12 43.35 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 3.61 0.56 3.66 0.27 0.00 -1.26 -5.10 105.19 106.93 1bfi n GLY 52 Ca 0.20 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 1.56 -0.22 1.61 2.02 -1.08 -5.14 118.70 117.45 1bfi s GLU 53 Ca 0.00 -0.77 -0.13 0.00 0.02 0.00 0.00 54.97 54.09 1bfi s GLU 53 Cb 0.00 0.60 -0.05 0.00 0.10 0.00 0.00 34.13 34.78 1bfi s GLU 53 CO 0.00 -0.70 0.27 0.08 0.02 0.00 0.00 175.26 174.93 1bfi s VAL 54 N -3.85 5.29 0.07 2.63 1.01 -1.26 -1.54 120.40 122.75 1bfi s VAL 54 Ca 0.07 0.43 0.10 0.00 0.00 0.00 0.00 61.98 62.58 1bfi s VAL 54 Cb -0.04 -3.61 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1bfi s VAL 54 CO -0.02 0.31 -0.26 -0.54 0.00 0.00 0.00 175.10 174.60 1bfi s LYS 55 N 1.08 1.65 -0.70 2.72 3.01 -1.04 -4.99 119.74 121.48 1bfi s LYS 55 Ca 0.13 -1.17 -0.03 0.00 -1.01 0.00 0.00 55.97 53.90 1bfi s LYS 55 Cb -0.14 -1.92 0.18 0.00 -1.01 0.00 0.00 37.83 34.94 1bfi s LYS 55 CO 0.06 0.48 0.53 -1.01 0.51 0.00 0.00 175.35 175.92 1bfi s HIS 56 N -0.88 3.53 0.32 3.18 3.76 -1.26 -2.15 115.29 121.78 1bfi s HIS 56 Ca 0.12 -2.78 -0.29 0.00 -0.15 0.00 0.00 55.06 51.96 1bfi s HIS 56 Cb -0.10 -3.22 -0.10 0.00 1.11 0.00 0.00 32.58 30.27 1bfi s HIS 56 CO 0.03 -0.81 1.32 0.00 -0.85 0.00 0.00 174.74 174.42 1bfi s VAL 58 N -1.01 4.34 0.05 0.00 0.11 -1.26 -0.16 120.40 122.46 1bfi s VAL 58 Ca 0.50 -0.21 0.09 0.00 -2.93 0.00 0.00 61.98 59.42 1bfi s VAL 58 Cb -0.40 -2.88 -0.03 0.00 -1.53 0.00 0.00 36.38 31.54 1bfi s VAL 58 CO 0.52 0.53 -0.24 -0.63 -3.33 0.00 0.00 175.10 171.95 1bfi s ILE 59 N -0.19 1.96 -0.22 7.04 1.01 0.57 -4.83 121.20 126.54 1bfi s ILE 59 Ca 0.05 -1.34 -0.03 0.00 0.00 0.00 0.00 60.65 59.34 1bfi s ILE 59 Cb -0.12 -1.69 0.00 0.00 0.01 0.00 0.00 42.46 40.66 1bfi s ILE 59 CO 0.02 0.29 -0.08 0.21 0.00 0.00 0.00 174.94 175.38 1bfi s ASN 60 N -1.26 4.05 -0.36 3.58 3.04 -1.13 -1.17 114.94 121.69 1bfi s ASN 60 Ca 0.10 -0.52 -0.25 0.00 0.04 0.00 0.00 52.86 52.22 1bfi s ASN 60 Cb -0.10 -1.67 0.01 0.00 -1.54 0.00 0.00 41.25 37.96 1bfi s ASN 60 CO 0.02 -0.03 0.90 -0.75 -3.04 0.00 0.00 177.10 174.20 1bfi s LYS 61 N 1.42 3.86 0.15 0.43 2.20 -1.26 -0.27 119.74 126.26 1bfi s LYS 61 Ca 0.05 0.58 -0.10 0.00 -0.36 0.00 0.00 55.97 56.13 1bfi s LYS 61 Cb -0.14 -3.79 -0.00 0.00 -1.51 0.00 0.00 37.83 32.38 1bfi s LYS 61 CO -0.06 -0.90 0.30 0.99 -0.36 0.00 0.00 175.35 175.32 1bfi s THR 62 N 3.38 0.08 0.11 3.43 2.01 -1.26 -4.79 115.64 118.60 1bfi s THR 62 Ca 0.37 -1.26 -0.22 0.00 0.31 0.00 0.00 61.69 60.89 1bfi s THR 62 Cb -0.12 -1.70 -0.07 0.00 0.01 0.00 0.00 72.50 70.61 1bfi s THR 62 CO 0.18 -0.34 1.70 0.00 -0.69 0.00 0.00 174.62 175.46 1bfi h ALA 63 N 2.54 -0.03 -0.09 7.40 0.00 -2.01 -3.19 119.26 123.89 1bfi h ALA 63 Ca -0.32 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1bfi h ALA 63 Cb 1.23 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1bfi h ALA 63 CO 0.49 -0.55 0.00 0.25 0.00 0.00 0.00 179.25 179.43 1bfi n THR 64 N -5.21 1.91 0.00 0.00 -2.24 -1.26 -4.88 114.28 102.61 1bfi n THR 64 Ca -0.05 -2.02 0.00 0.00 -2.27 0.00 0.00 64.05 59.72 1bfi n THR 64 Cb 0.14 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 -1.02 -0.18 7.00 3.38 0.00 -1.20 -4.97 105.19 108.19 1bfi n GLY 65 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.44 -0.88 0.00 1.61 4.01 0.62 -3.64 117.16 117.44 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 0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 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 -2.02 0.18 2.72 0.00 -1.24 -2.86 105.19 101.97 1bfi n GLY 67 Ca 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1bfi n GLY 67 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1bfi h PHE 68 N 0.00 0.52 0.00 1.61 0.04 -1.88 -3.40 116.94 113.83 1bfi h PHE 68 Ca 0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1bfi h PHE 68 Cb 0.00 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 37.97 1bfi h PHE 68 CO 0.00 0.33 0.00 0.00 -0.60 0.00 0.00 178.31 178.04 1bfi n ALA 69 N -2.21 0.00 -0.06 2.45 0.00 -1.24 -4.79 120.51 114.66 1bfi n ALA 69 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 1bfi n ALA 69 Cb 0.02 -0.77 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 1bfi n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bfi n GLU 70 N -1.07 1.60 -1.24 0.00 1.02 -1.26 -4.64 120.64 115.05 1bfi n GLU 70 Ca 0.00 0.02 -0.25 0.00 -0.02 0.00 0.00 57.16 56.92 1bfi n GLU 70 Cb 0.21 -1.28 0.01 0.00 -0.02 0.00 0.00 31.44 30.36 1bfi n GLU 70 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1bfi n PRO 71 N -2.57 2.22 -3.47 3.49 -0.04 -1.26 -4.80 135.00 128.57 1bfi n PRO 71 Ca -0.20 -2.24 -0.18 0.00 -0.04 0.00 0.00 63.50 60.84 1bfi n PRO 71 Cb 0.83 -1.95 0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 0.28 -2.17 -0.46 0.54 4.01 -1.26 -4.89 117.16 113.21 1bfi n TYR 72 Ca 0.43 0.93 0.11 0.00 -0.16 0.00 0.00 57.90 59.21 1bfi n TYR 72 Cb 0.56 -5.00 0.34 0.00 -0.31 0.00 0.00 39.34 34.92 1bfi n TYR 72 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1bfi n ASN 73 N -3.12 4.32 -3.37 7.72 5.03 -1.26 -4.74 115.26 119.84 1bfi n ASN 73 Ca -0.28 -2.20 -0.30 0.00 0.87 0.00 0.00 54.58 52.66 1bfi n ASN 73 Cb 0.67 -0.53 -0.04 0.00 -1.02 0.00 0.00 39.78 38.85 1bfi n ASN 73 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1bfi n LEU 74 N 1.42 3.48 -4.79 3.41 4.77 -1.26 -4.82 117.00 119.22 1bfi n LEU 74 Ca 0.25 -2.48 -0.36 0.00 -0.03 0.00 0.00 56.01 53.39 1bfi n LEU 74 Cb 0.75 -0.95 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1bfi n LEU 74 CO 0.20 -0.33 0.73 -0.31 -1.33 0.00 0.00 177.39 176.35 1bfi s TYR 75 N 4.68 3.24 0.28 -1.77 2.02 -1.26 -4.94 117.35 119.61 1bfi s TYR 75 Ca 0.45 1.64 -0.03 0.00 -0.37 0.00 0.00 57.07 58.76 1bfi s TYR 75 Cb 0.11 -3.10 0.39 0.00 -0.40 0.00 0.00 41.96 38.96 1bfi s TYR 75 CO 0.08 -0.61 1.94 1.03 -1.57 0.00 0.00 175.55 176.41 1bfi h SER 76 N 2.38 0.98 -4.47 2.29 0.87 -1.99 -3.44 113.55 110.17 1bfi h SER 76 Ca -0.48 -0.05 -0.27 0.00 -1.23 0.00 0.00 61.79 59.76 1bfi h SER 76 Cb 1.21 -0.25 -0.17 0.00 -0.44 0.00 0.00 62.40 62.76 1bfi h SER 76 CO 0.62 0.74 -0.72 -0.94 -0.53 0.00 0.00 176.83 176.00 1bfi s SER 77 N -6.29 1.29 0.48 6.23 1.04 -1.26 -5.02 113.70 110.16 1bfi s SER 77 Ca -0.12 -0.88 0.21 0.00 0.48 0.00 0.00 55.95 55.65 1bfi s SER 77 Cb 0.18 0.05 1.23 0.00 0.10 0.00 0.00 66.02 67.57 1bfi s SER 77 CO 0.80 -0.35 2.02 -0.07 0.98 0.00 0.00 173.24 176.63 1bfi h LEU 78 N 3.34 0.00 -0.54 2.42 3.38 -2.01 -2.48 115.31 119.43 1bfi h LEU 78 Ca -0.36 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.62 1bfi h LEU 78 Cb 1.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1bfi h LEU 78 CO 0.57 0.16 0.35 0.11 0.09 0.00 0.00 178.44 179.72 1bfi h LYS 79 N 0.00 0.68 -0.68 1.13 1.57 -1.95 -1.43 116.57 115.88 1bfi h LYS 79 Ca -0.00 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1bfi h LYS 79 Cb 0.36 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1bfi h LYS 79 CO 0.02 0.45 0.31 0.93 -0.57 0.00 0.00 179.45 180.59 1bfi h GLU 80 N 0.70 0.99 -0.84 3.15 5.08 -1.86 -2.11 114.58 119.69 1bfi h GLU 80 Ca 0.20 -0.15 0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1bfi h GLU 80 Cb -0.05 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 28.97 1bfi h GLU 80 CO -0.06 0.78 0.52 1.25 -1.00 0.00 0.00 179.01 180.50 1bfi h LEU 81 N 0.98 0.83 -0.38 1.33 6.46 -1.19 0.16 115.31 123.50 1bfi h LEU 81 Ca 0.23 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1bfi h LEU 81 Cb 0.14 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 39.89 1bfi h LEU 81 CO -0.03 0.55 0.14 0.58 -0.62 0.00 0.00 178.44 179.06 1bfi h VAL 82 N 0.97 1.20 -0.66 1.05 2.07 -0.76 -2.51 116.25 117.61 1bfi h VAL 82 Ca 0.36 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1bfi h VAL 82 Cb 0.12 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1bfi h VAL 82 CO -0.16 0.22 0.28 -0.07 0.02 0.00 0.00 177.57 177.86 1bfi h LEU 83 N 0.46 0.87 -0.35 2.57 4.07 -0.94 -2.62 115.31 119.37 1bfi h LEU 83 Ca 0.12 -0.11 0.01 0.00 0.08 0.00 0.00 57.88 57.98 1bfi h LEU 83 Cb 0.21 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.70 1bfi h LEU 83 CO -0.01 0.77 0.22 -0.74 -1.08 0.00 0.00 178.44 177.59 1bfi h HIS 84 N 0.94 0.41 0.00 1.13 2.76 -0.32 -2.08 115.15 117.99 1bfi h HIS 84 Ca 0.22 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.34 1bfi h HIS 84 Cb 0.16 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1bfi h HIS 84 CO 0.01 0.25 -0.32 1.88 -1.30 0.00 0.00 177.93 178.45 1bfi h TYR 85 N 0.44 0.00 -0.84 5.26 -1.99 -1.24 -1.14 116.97 117.47 1bfi h TYR 85 Ca 0.13 0.00 0.03 0.00 2.00 0.00 0.00 58.73 60.90 1bfi h TYR 85 Cb -0.02 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.66 1bfi h TYR 85 CO -0.06 0.32 0.55 0.37 -0.00 0.00 0.00 178.16 179.33 1bfi h GLN 86 N 0.00 1.01 0.11 4.88 -0.00 -1.01 -2.55 115.11 117.55 1bfi h GLN 86 Ca -0.00 -0.06 -0.32 0.00 -0.00 0.00 0.00 58.65 58.27 1bfi h GLN 86 Cb 0.63 -0.23 -0.01 0.00 0.00 0.00 0.00 27.48 27.86 1bfi h GLN 86 CO 0.04 0.67 -1.65 1.25 0.00 0.00 0.00 178.83 179.14 1bfi h HIS 87 N 1.04 0.43 -3.20 3.99 2.76 -1.31 -3.41 115.15 115.45 1bfi h HIS 87 Ca 0.33 -0.31 -0.58 0.00 -2.20 0.00 0.00 60.37 57.61 1bfi h HIS 87 Cb 0.02 -0.02 -0.05 0.00 1.55 0.00 0.00 27.41 28.91 1bfi h HIS 87 CO -0.00 1.43 -0.07 0.95 -1.30 0.00 0.00 177.93 178.95 1bfi s THR 88 N -2.60 4.82 0.01 6.26 -4.23 -0.47 -5.06 115.64 114.37 1bfi s THR 88 Ca -0.11 1.14 -0.14 0.00 -1.18 0.00 0.00 61.69 61.40 1bfi s THR 88 Cb 0.07 -3.86 -0.06 0.00 1.34 0.00 0.00 72.50 69.99 1bfi s THR 88 CO 0.84 0.54 0.42 -0.44 -0.54 0.00 0.00 174.62 175.44 1bfi s SER 89 N -0.99 6.81 0.22 3.99 0.01 -1.26 -4.56 113.70 117.92 1bfi s SER 89 Ca 0.28 0.97 -0.08 0.00 1.31 0.00 0.00 55.95 58.42 1bfi s SER 89 Cb -0.19 -2.25 0.18 0.00 0.21 0.00 0.00 66.02 63.97 1bfi s SER 89 CO 0.18 0.30 1.86 -0.07 0.41 0.00 0.00 173.24 175.92 1bfi h LEU 90 N 4.58 1.01 0.00 2.44 3.38 -0.66 -3.40 115.31 122.66 1bfi h LEU 90 Ca -0.51 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1bfi h LEU 90 Cb 1.22 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1bfi h LEU 90 CO 0.62 0.79 0.00 0.52 0.09 0.00 0.00 178.44 180.46 1bfi n VAL 91 N -4.43 0.00 -1.84 1.22 0.31 2.64 -4.71 118.33 111.52 1bfi n VAL 91 Ca 0.08 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.44 1bfi n VAL 91 Cb 0.07 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.99 1bfi n VAL 91 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1bfi n GLN 92 N 0.00 -0.38 -0.30 5.55 -0.06 -1.26 -2.85 117.38 118.08 1bfi n GLN 92 Ca 0.00 0.25 -0.01 0.00 -2.00 0.00 0.00 57.00 55.24 1bfi n GLN 92 Cb 0.00 -0.46 0.18 0.00 -4.06 0.00 0.00 30.24 25.89 1bfi n GLN 92 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1bfi h HIS 93 N -0.17 1.11 -0.37 3.69 3.86 -2.01 0.15 115.15 121.40 1bfi h HIS 93 Ca 0.00 0.02 0.11 0.00 -1.16 0.00 0.00 60.37 59.34 1bfi h HIS 93 Cb 0.17 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.25 1bfi h HIS 93 CO 0.00 0.70 0.46 -0.97 0.86 0.00 0.00 177.93 178.98 1bfi h ASN 94 N 1.19 0.00 -0.98 2.45 -0.00 -1.95 -3.44 115.58 112.85 1bfi h ASN 94 Ca 0.32 0.00 -0.40 0.00 -0.00 0.00 0.00 56.30 56.22 1bfi h ASN 94 Cb -0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 38.32 38.04 1bfi h ASN 94 CO -0.07 0.00 -0.36 0.47 -0.00 0.00 0.00 177.43 177.47 1bfi n ASP 95 N -3.58 -5.34 0.00 1.15 8.00 0.51 -4.79 116.55 112.50 1bfi n ASP 95 Ca 0.06 0.46 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1bfi n ASP 95 Cb 0.62 -4.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.17 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 -1.15 0.82 -3.13 -2.24 7.64 -1.24 -4.79 113.62 109.52 1bfi n SER 96 Ca -0.20 -1.34 -0.39 0.00 1.01 0.00 0.00 58.87 57.95 1bfi n SER 96 Cb 0.64 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.86 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 -0.17 7.41 -4.44 -3.43 4.77 -1.13 -4.87 117.00 115.13 1bfi n LEU 97 Ca 0.00 -4.94 -0.39 0.00 -0.03 0.00 0.00 56.01 50.65 1bfi n LEU 97 Cb 0.31 -1.13 -0.02 0.00 -2.33 0.00 0.00 43.42 40.25 1bfi n LEU 97 CO 0.00 1.86 1.95 -3.20 -1.33 0.00 0.00 177.39 176.67 1bfi n ASN 98 N -0.12 4.27 -3.66 -1.43 4.05 -1.26 0.61 115.26 117.72 1bfi n ASN 98 Ca 0.52 -2.85 -0.15 0.00 0.45 0.00 0.00 54.58 52.55 1bfi n ASN 98 Cb 0.27 -1.71 -0.08 0.00 1.23 0.00 0.00 39.78 39.50 1bfi n ASN 98 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1bfi s VAL 99 N 5.80 0.02 0.18 3.44 1.01 -1.26 -4.89 120.40 124.70 1bfi s VAL 99 Ca 0.57 -0.21 0.11 0.00 0.00 0.00 0.00 61.98 62.45 1bfi s VAL 99 Cb 0.04 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1bfi s VAL 99 CO 0.08 -0.11 -0.23 0.42 0.00 0.00 0.00 175.10 175.25 1bfi s THR 100 N -0.95 2.20 -1.40 3.92 -4.23 -1.26 -0.76 115.64 113.17 1bfi s THR 100 Ca -0.10 -1.95 -0.13 0.00 -1.18 0.00 0.00 61.69 58.33 1bfi s THR 100 Cb -0.03 -2.02 0.07 0.00 1.34 0.00 0.00 72.50 71.86 1bfi s THR 100 CO 0.06 -0.13 2.10 0.18 -0.54 0.00 0.00 174.62 176.29 1bfi n LEU 101 N 0.39 6.63 -0.00 4.79 4.77 -1.16 -4.46 117.00 127.95 1bfi n LEU 101 Ca -0.14 -4.24 0.07 0.00 -0.03 0.00 0.00 56.01 51.67 1bfi n LEU 101 Cb 0.56 -1.63 -0.10 0.00 -2.33 0.00 0.00 43.42 39.92 1bfi n LEU 101 CO 0.28 1.08 -0.53 0.00 -1.33 0.00 0.00 177.39 176.90 1bfi n ALA 102 N 5.79 2.77 -3.26 -1.18 0.00 -1.25 -3.89 120.51 119.49 1bfi n ALA 102 Ca 0.49 -0.34 -0.35 0.00 0.00 0.00 0.00 53.44 53.24 1bfi n ALA 102 Cb 0.39 -0.48 -0.13 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.81 2.97 0.36 0.00 2.02 -0.81 -5.03 117.35 114.05 1bfi s TYR 103 Ca -0.03 -0.69 -0.25 0.00 -0.37 0.00 0.00 57.07 55.73 1bfi s TYR 103 Cb 0.09 -2.05 -0.09 0.00 -0.40 0.00 0.00 41.96 39.51 1bfi s TYR 103 CO 0.57 -0.36 1.00 -1.25 -1.57 0.00 0.00 175.55 173.94 1bfi s PRO 104 N 1.07 4.38 0.48 -1.71 0.04 -1.26 -1.69 135.00 136.31 1bfi s PRO 104 Ca 0.01 1.43 0.27 0.00 0.04 0.00 0.00 61.00 62.76 1bfi s PRO 104 Cb -0.15 -2.68 1.00 0.00 0.04 0.00 0.00 34.50 32.72 1bfi s PRO 104 CO 0.00 0.07 1.85 -0.24 0.04 0.00 0.00 177.00 178.72 1bfi h VAL 105 N 2.42 0.29 -2.13 -0.36 3.04 -0.81 -3.31 116.25 115.38 1bfi h VAL 105 Ca -0.48 -0.91 -0.56 0.00 -1.01 0.00 0.00 66.70 63.75 1bfi h VAL 105 Cb 1.20 1.71 -0.41 0.00 -2.01 0.00 0.00 31.29 31.79 1bfi h VAL 105 CO 0.64 0.12 -0.87 -1.22 -1.01 0.00 0.00 177.57 175.23 1bfi n TYR 106 N -3.24 2.08 -0.34 3.17 4.01 0.31 -4.68 117.16 118.46 1bfi n TYR 106 Ca 0.01 -3.90 0.02 0.00 -0.16 0.00 0.00 57.90 53.86 1bfi n TYR 106 Cb 0.40 -0.46 0.16 0.00 -0.31 0.00 0.00 39.34 39.13 1bfi n TYR 106 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bfi h ALA 107 N 3.47 1.29 -0.31 -0.72 0.00 -1.73 -3.35 119.26 117.91 1bfi h ALA 107 Ca 0.13 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.75 1bfi h ALA 107 Cb 0.74 -0.27 -0.20 0.00 0.00 0.00 0.00 17.79 18.06 1bfi h ALA 107 CO 0.67 0.35 -0.56 0.94 0.00 0.00 0.00 179.25 180.66 1bfi n GLN 108 N -4.57 1.06 -2.64 0.00 7.27 -1.26 -4.94 117.38 112.31 1bfi n GLN 108 Ca 0.14 -2.16 -0.21 0.00 0.07 0.00 0.00 57.00 54.84 1bfi n GLN 108 Cb 0.19 -0.89 0.01 0.00 2.41 0.00 0.00 30.24 31.95 1bfi n GLN 108 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1bfi n GLN 109 N 0.09 -2.85 -2.21 3.69 6.02 -1.26 -4.93 117.38 115.95 1bfi n GLN 109 Ca 0.06 0.94 -0.38 0.00 -0.01 0.00 0.00 57.00 57.61 1bfi n GLN 109 Cb 0.74 -5.67 -0.01 0.00 1.02 0.00 0.00 30.24 26.32 1bfi n GLN 109 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1bfi s ARG 110 N -5.29 3.96 0.00 -1.09 3.52 -1.26 -5.11 118.95 113.67 1bfi s ARG 110 Ca 0.11 1.93 0.23 0.00 -0.13 0.00 0.00 55.73 57.87 1bfi s ARG 110 Cb -0.05 -2.65 1.35 0.00 -1.56 0.00 0.00 34.95 32.04 1bfi s ARG 110 CO 0.14 -0.43 1.73 0.54 -0.81 0.00 0.00 175.30 176.47