#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 3.93 -0.14 1.62 1.47 -1.26 -5.02 116.67 117.27 1bfi s ASP 2 Ca 0.00 1.55 -0.10 0.00 1.18 0.00 0.00 52.55 55.18 1bfi s ASP 2 Cb 0.00 -2.25 -0.05 0.00 -0.34 0.00 0.00 42.92 40.29 1bfi s ASP 2 CO 0.00 -2.36 0.19 -0.76 0.68 0.00 0.00 175.17 172.92 1bfi s LEU 3 N -6.06 4.31 0.00 2.11 1.43 -1.26 -4.96 118.68 114.26 1bfi s LEU 3 Ca 0.62 0.45 0.17 0.00 -1.03 0.00 0.00 54.13 54.34 1bfi s LEU 3 Cb -0.17 -2.18 0.88 0.00 0.03 0.00 0.00 46.19 44.75 1bfi s LEU 3 CO 0.56 0.27 1.47 -0.81 0.23 0.00 0.00 176.35 178.07 1bfi n PRO 4 N 2.74 0.31 0.23 1.29 -0.04 -1.26 -2.48 135.00 135.79 1bfi n PRO 4 Ca -0.17 0.10 0.11 0.00 -0.04 0.00 0.00 63.50 63.50 1bfi n PRO 4 Cb 0.53 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.93 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 -0.16 0.54 3.86 -1.96 -2.87 115.15 114.56 1bfi h HIS 5 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1bfi h HIS 5 Cb 0.12 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1bfi h HIS 5 CO 0.00 0.17 0.06 0.45 0.86 0.00 0.00 177.93 179.47 1bfi h HIS 6 N 0.00 0.21 -3.27 2.45 3.86 -1.91 -3.40 115.15 113.09 1bfi h HIS 6 Ca -0.00 -0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.62 1bfi h HIS 6 Cb 0.78 -0.07 -0.08 0.00 1.06 0.00 0.00 27.41 29.11 1bfi h HIS 6 CO 0.00 0.18 -0.17 -0.51 0.86 0.00 0.00 177.93 178.29 1bfi s ASP 7 N -6.91 6.69 0.28 2.45 1.01 -1.08 -4.96 116.67 114.15 1bfi s ASP 7 Ca -0.06 0.82 0.08 0.00 0.71 0.00 0.00 52.55 54.09 1bfi s ASP 7 Cb 0.17 -2.27 0.41 0.00 1.01 0.00 0.00 42.92 42.23 1bfi s ASP 7 CO 0.70 0.08 1.65 -0.08 0.21 0.00 0.00 175.17 177.73 1bfi h GLU 8 N 6.31 0.15 0.00 8.23 4.81 -1.85 -3.10 114.58 129.13 1bfi h GLU 8 Ca -0.43 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 58.70 1bfi h GLU 8 Cb 1.18 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1bfi h GLU 8 CO 0.73 0.63 -0.08 -0.22 -0.73 0.00 0.00 179.01 179.34 1bfi h LYS 9 N 0.12 0.00 0.00 1.92 3.11 -1.93 0.50 116.57 120.29 1bfi h LYS 9 Ca 0.00 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.78 1bfi h LYS 9 Cb 0.95 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.17 1bfi h LYS 9 CO 0.07 0.08 -0.32 1.79 -2.81 0.00 0.00 179.45 178.27 1bfi h THR 10 N 0.00 0.94 0.00 1.00 1.35 -1.72 -3.34 112.91 111.14 1bfi h THR 10 Ca -0.00 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1bfi h THR 10 Cb 0.17 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.30 1bfi h THR 10 CO 0.01 0.31 -1.00 -2.67 -0.25 0.00 0.00 175.52 171.92 1bfi n TRP 11 N -3.75 0.00 -2.67 4.73 4.27 -1.05 0.44 117.44 119.41 1bfi n TRP 11 Ca -0.01 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.17 1bfi n TRP 11 Cb 0.41 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.34 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 -2.84 7.23 0.00 -0.67 2.47 0.17 -1.21 114.94 120.09 1bfi s ASN 12 Ca 0.00 1.54 0.23 0.00 0.42 0.00 0.00 52.86 55.05 1bfi s ASN 12 Cb 0.00 -2.56 0.07 0.00 -1.45 0.00 0.00 41.25 37.31 1bfi s ASN 12 CO 0.00 -0.47 1.15 0.52 -3.72 0.00 0.00 177.10 174.59 1bfi n VAL 13 N 4.60 0.00 -3.44 -5.21 0.31 -0.75 -4.57 118.33 109.27 1bfi n VAL 13 Ca 0.09 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1bfi n VAL 13 Cb 0.48 1.32 0.00 0.00 -0.91 0.00 0.00 33.84 34.74 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 1.40 -0.26 3.53 2.92 0.00 -1.26 -4.63 105.19 106.89 1bfi n GLY 14 Ca 0.11 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 6.28 0.06 1.61 0.01 -1.26 -4.13 113.70 112.27 1bfi s SER 15 Ca 0.00 -0.39 0.08 0.00 1.31 0.00 0.00 55.95 56.95 1bfi s SER 15 Cb 0.00 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 1bfi s SER 15 CO 0.00 -1.52 -0.21 -0.55 0.41 0.00 0.00 173.24 171.36 1bfi s SER 16 N 3.31 2.55 0.52 2.44 0.15 -1.26 -5.09 113.70 116.32 1bfi s SER 16 Ca 0.33 -0.57 -0.17 0.00 0.70 0.00 0.00 55.95 56.24 1bfi s SER 16 Cb -0.11 -0.19 -0.08 0.00 -1.71 0.00 0.00 66.02 63.93 1bfi s SER 16 CO 0.18 0.14 0.99 0.54 1.20 0.00 0.00 173.24 176.29 1bfi s ASN 17 N -1.39 6.59 0.36 5.45 2.20 -1.26 -4.74 114.94 122.15 1bfi s ASN 17 Ca 0.08 1.58 0.03 0.00 -0.94 0.00 0.00 52.86 53.61 1bfi s ASN 17 Cb -0.09 -2.51 0.68 0.00 -2.00 0.00 0.00 41.25 37.33 1bfi s ASN 17 CO 0.03 -0.61 2.02 0.03 -2.94 0.00 0.00 177.10 175.62 1bfi h ARG 18 N 0.92 0.78 -0.72 3.55 3.08 -1.97 -1.58 114.38 118.43 1bfi h ARG 18 Ca -0.47 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.55 1bfi h ARG 18 Cb 1.19 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 31.02 1bfi h ARG 18 CO 0.61 0.51 0.48 -0.91 -1.07 0.00 0.00 179.97 179.59 1bfi h ASN 19 N 0.80 0.82 -0.29 7.04 -0.26 -2.00 -0.57 115.58 121.11 1bfi h ASN 19 Ca 0.22 -0.02 -0.12 0.00 -0.56 0.00 0.00 56.30 55.82 1bfi h ASN 19 Cb -0.07 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 36.98 1bfi h ASN 19 CO -0.05 0.59 -0.25 0.50 -1.06 0.00 0.00 177.43 177.15 1bfi h LYS 20 N 0.96 0.79 -0.11 0.81 3.64 -1.70 -2.57 116.57 118.40 1bfi h LYS 20 Ca 0.27 -0.33 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 1bfi h LYS 20 Cb -0.09 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1bfi h LYS 20 CO -0.07 0.95 -0.11 0.00 -2.27 0.00 0.00 179.45 177.95 1bfi h ALA 21 N 1.04 1.61 -0.06 5.00 0.00 -0.63 -2.22 119.26 124.00 1bfi h ALA 21 Ca 0.09 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1bfi h ALA 21 Cb 0.77 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1bfi h ALA 21 CO 0.06 0.28 0.02 1.49 0.00 0.00 0.00 179.25 181.11 1bfi h GLU 22 N 0.16 0.05 -0.93 0.00 4.81 -0.70 0.80 114.58 118.76 1bfi h GLU 22 Ca 0.03 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.32 1bfi h GLU 22 Cb 0.31 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 1bfi h GLU 22 CO 0.02 0.03 0.61 -0.91 -0.73 0.00 0.00 179.01 178.03 1bfi h ASN 23 N 0.05 0.96 0.72 1.04 -0.26 -1.37 2.56 115.58 119.29 1bfi h ASN 23 Ca 0.03 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.68 1bfi h ASN 23 Cb 0.01 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.05 1bfi h ASN 23 CO -0.03 0.63 -0.40 -0.07 -1.06 0.00 0.00 177.43 176.50 1bfi h LEU 24 N 1.10 0.00 -0.07 1.61 3.38 -0.71 -2.77 115.31 117.85 1bfi h LEU 24 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1bfi h LEU 24 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1bfi h LEU 24 CO -0.14 0.40 -0.80 0.18 0.09 0.00 0.00 178.44 178.17 1bfi n LEU 25 N -3.65 0.91 -4.66 1.67 4.77 0.27 -4.54 117.00 111.76 1bfi n LEU 25 Ca -0.01 -0.36 -0.39 0.00 -0.03 0.00 0.00 56.01 55.22 1bfi n LEU 25 Cb 0.50 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1bfi n LEU 25 CO 0.37 0.22 0.23 -0.60 -1.33 0.00 0.00 177.39 176.28 1bfi s ARG 26 N -2.96 4.20 -0.79 3.23 3.52 0.83 -3.84 118.95 123.14 1bfi s ARG 26 Ca 0.10 0.40 0.00 0.00 -0.13 0.00 0.00 55.73 56.10 1bfi s ARG 26 Cb 0.17 -3.55 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1bfi s ARG 26 CO 0.79 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.56 1bfi n GLY 27 N 3.86 0.80 3.57 8.12 0.00 -1.26 -4.86 105.19 115.42 1bfi n GLY 27 Ca -0.05 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.99 3.86 0.49 1.61 2.47 -1.25 -5.06 119.74 118.86 1bfi s LYS 28 Ca 0.00 -0.39 -0.23 0.00 -1.56 0.00 0.00 55.97 53.78 1bfi s LYS 28 Cb 0.00 -3.24 -0.07 0.00 -1.46 0.00 0.00 37.83 33.05 1bfi s LYS 28 CO 0.00 0.12 1.28 0.54 0.16 0.00 0.00 175.35 177.45 1bfi n ARG 29 N 4.00 1.75 -1.11 4.03 1.74 -1.26 -4.92 116.66 120.89 1bfi n ARG 29 Ca -0.16 0.63 -0.35 0.00 -0.77 0.00 0.00 57.85 57.20 1bfi n ARG 29 Cb 0.52 -2.44 0.10 0.00 -1.02 0.00 0.00 32.46 29.62 1bfi n ARG 29 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1bfi n ASP 30 N -0.36 -0.66 0.00 0.55 5.68 -1.26 -3.03 116.55 117.47 1bfi n ASP 30 Ca 0.09 0.53 0.00 0.00 -0.50 0.00 0.00 54.79 54.91 1bfi n ASP 30 Cb 0.42 -1.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.09 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 1.26 2.80 3.70 6.12 0.00 -1.04 -4.99 105.19 113.04 1bfi n GLY 31 Ca 0.10 -0.09 -0.42 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 -2.64 4.87 0.07 2.61 2.01 -1.17 -1.41 115.64 119.99 1bfi s THR 32 Ca 0.00 1.88 0.03 0.00 0.31 0.00 0.00 61.69 63.91 1bfi s THR 32 Cb 0.00 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1bfi s THR 32 CO 0.00 0.10 -0.09 0.72 -0.69 0.00 0.00 174.62 174.66 1bfi s PHE 33 N 1.53 0.89 0.45 4.92 -0.71 -0.87 -2.56 117.98 121.63 1bfi s PHE 33 Ca 0.46 -0.62 0.07 0.00 -1.04 0.00 0.00 56.93 55.81 1bfi s PHE 33 Cb -0.19 -0.51 -0.00 0.00 -1.21 0.00 0.00 43.02 41.11 1bfi s PHE 33 CO 0.20 -0.05 0.40 -0.51 -1.34 0.00 0.00 175.22 173.92 1bfi s LEU 34 N -2.12 3.23 -0.22 -1.99 1.43 0.66 -3.60 118.68 116.07 1bfi s LEU 34 Ca -0.01 -0.87 -0.04 0.00 -1.03 0.00 0.00 54.13 52.19 1bfi s LEU 34 Cb -0.05 -1.83 0.11 0.00 0.03 0.00 0.00 46.19 44.44 1bfi s LEU 34 CO -0.00 -0.78 0.27 -0.69 0.23 0.00 0.00 176.35 175.38 1bfi s VAL 35 N -2.55 -0.42 0.33 -1.59 1.01 -0.35 -1.51 120.40 115.32 1bfi s VAL 35 Ca 0.46 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1bfi s VAL 35 Cb -0.03 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.63 1bfi s VAL 35 CO 0.27 -0.18 0.40 -2.11 0.00 0.00 0.00 175.10 173.49 1bfi n ARG 36 N 5.33 0.58 -2.56 2.72 1.85 -0.83 -1.81 116.66 121.94 1bfi n ARG 36 Ca -0.05 -2.88 -0.23 0.00 -1.00 0.00 0.00 57.85 53.69 1bfi n ARG 36 Cb 0.50 2.61 0.08 0.00 -1.05 0.00 0.00 32.46 34.60 1bfi n ARG 36 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1bfi s GLU 37 N -2.96 2.07 0.00 2.89 -1.05 -1.26 -1.58 118.70 116.81 1bfi s GLU 37 Ca 0.32 -0.88 0.00 0.00 -0.15 0.00 0.00 54.97 54.25 1bfi s GLU 37 Cb 0.00 -2.37 0.00 0.00 -0.44 0.00 0.00 34.13 31.32 1bfi s GLU 37 CO 0.23 -1.14 0.53 0.43 0.95 0.00 0.00 175.26 176.25 1bfi n SER 38 N -2.65 0.76 0.00 0.83 7.64 0.39 -4.70 113.62 115.89 1bfi n SER 38 Ca 0.11 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.18 1bfi n SER 38 Cb 0.60 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.04 0.00 -4.68 6.43 7.64 -1.26 -4.69 113.62 117.02 1bfi n SER 39 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 1bfi n SER 39 Cb 0.19 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.30 1bfi n SER 39 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1bfi s LYS 40 N 0.00 4.09 0.47 1.43 2.20 -1.26 -4.95 119.74 121.72 1bfi s LYS 40 Ca 0.00 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.34 1bfi s LYS 40 Cb 0.00 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1bfi s LYS 40 CO 0.00 0.24 0.00 0.94 -0.36 0.00 0.00 175.35 176.17 1bfi n GLN 41 N 3.69 0.00 -1.12 4.03 7.27 -1.26 -4.44 117.38 125.54 1bfi n GLN 41 Ca -0.16 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.75 1bfi n GLN 41 Cb 0.52 0.00 0.16 0.00 2.41 0.00 0.00 30.24 33.33 1bfi n GLN 41 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bfi n GLY 42 N -0.27 5.05 3.87 1.69 0.00 -1.26 -4.70 105.19 109.57 1bfi n GLY 42 Ca 0.00 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.31 1.80 -0.11 0.00 1.51 -1.07 -0.46 117.35 116.70 1bfi s TYR 44 Ca 0.52 -0.40 -0.19 0.00 -1.01 0.00 0.00 57.07 55.99 1bfi s TYR 44 Cb -0.10 -1.01 0.04 0.00 -0.11 0.00 0.00 41.96 40.78 1bfi s TYR 44 CO 0.29 0.17 0.47 0.00 -1.11 0.00 0.00 175.55 175.36 1bfi s ALA 45 N -1.04 -1.18 -0.16 3.71 0.00 -0.62 0.31 121.76 122.79 1bfi s ALA 45 Ca 0.07 1.06 -0.01 0.00 0.00 0.00 0.00 51.96 53.08 1bfi s ALA 45 Cb -0.10 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 1bfi s ALA 45 CO 0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 175.76 175.42 1bfi s SER 47 N 0.71 6.90 0.01 0.00 0.01 -0.57 -0.07 113.70 120.69 1bfi s SER 47 Ca -0.05 1.08 0.06 0.00 1.31 0.00 0.00 55.95 58.35 1bfi s SER 47 Cb -0.15 -2.37 -0.02 0.00 0.21 0.00 0.00 66.02 63.69 1bfi s SER 47 CO 0.02 -0.03 -0.19 0.54 0.41 0.00 0.00 173.24 173.98 1bfi s VAL 48 N 0.50 1.55 -0.18 3.43 0.11 -0.62 0.24 120.40 125.43 1bfi s VAL 48 Ca 0.33 -0.97 -0.04 0.00 -2.93 0.00 0.00 61.98 58.37 1bfi s VAL 48 Cb -0.17 -1.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.34 1bfi s VAL 48 CO 0.16 0.32 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.54 1bfi s VAL 49 N -0.60 3.90 0.29 2.04 1.01 -1.06 -0.32 120.40 125.65 1bfi s VAL 49 Ca 0.07 -0.34 0.09 0.00 0.00 0.00 0.00 61.98 61.80 1bfi s VAL 49 Cb -0.08 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1bfi s VAL 49 CO 0.00 0.46 0.06 0.54 0.00 0.00 0.00 175.10 176.16 1bfi s VAL 50 N 0.70 3.44 -0.45 2.92 0.11 -0.90 -2.48 120.40 123.74 1bfi s VAL 50 Ca -0.01 -1.80 -0.03 0.00 -2.93 0.00 0.00 61.98 57.21 1bfi s VAL 50 Cb -0.14 -2.95 -0.03 0.00 -1.53 0.00 0.00 36.38 31.73 1bfi s VAL 50 CO 0.02 -0.32 1.54 -0.67 -3.33 0.00 0.00 175.10 172.35 1bfi n ASP 51 N -1.00 2.40 0.00 3.54 -0.08 -1.26 -2.38 116.55 117.77 1bfi n ASP 51 Ca -0.06 -2.16 0.00 0.00 -1.51 0.00 0.00 54.79 51.06 1bfi n ASP 51 Cb 0.59 -0.79 0.00 0.00 2.34 0.00 0.00 41.12 43.26 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 3.90 0.80 3.47 0.27 0.00 -1.26 -5.10 105.19 107.27 1bfi n GLY 52 Ca 0.22 -0.06 -0.15 0.00 0.00 0.00 0.00 46.02 46.04 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 0.76 0.11 1.61 2.12 -1.00 -5.13 118.70 117.17 1bfi s GLU 53 Ca 0.00 0.59 -0.30 0.00 0.36 0.00 0.00 54.97 55.62 1bfi s GLU 53 Cb 0.00 0.37 -0.06 0.00 0.26 0.00 0.00 34.13 34.70 1bfi s GLU 53 CO 0.00 -0.15 0.98 0.14 -0.54 0.00 0.00 175.26 175.69 1bfi s VAL 54 N -0.19 4.48 0.24 3.70 -7.23 -1.26 -2.12 120.40 118.02 1bfi s VAL 54 Ca -0.04 2.03 0.08 0.00 -1.81 0.00 0.00 61.98 62.25 1bfi s VAL 54 Cb -0.03 -4.30 -0.05 0.00 0.56 0.00 0.00 36.38 32.56 1bfi s VAL 54 CO 0.03 0.30 -0.14 -0.54 -0.31 0.00 0.00 175.10 174.45 1bfi s LYS 55 N 0.06 1.45 -0.33 4.82 3.01 0.56 -4.97 119.74 124.34 1bfi s LYS 55 Ca 0.48 -1.67 0.03 0.00 -1.01 0.00 0.00 55.97 53.80 1bfi s LYS 55 Cb -0.24 -1.27 0.10 0.00 -1.01 0.00 0.00 37.83 35.41 1bfi s LYS 55 CO 0.30 0.18 0.04 -1.01 0.51 0.00 0.00 175.35 175.38 1bfi s HIS 56 N -2.88 3.50 -0.07 3.18 3.76 -1.26 -1.59 115.29 119.93 1bfi s HIS 56 Ca 0.26 -2.81 -0.25 0.00 -0.15 0.00 0.00 55.06 52.11 1bfi s HIS 56 Cb -0.01 -2.71 -0.03 0.00 1.11 0.00 0.00 32.58 30.94 1bfi s HIS 56 CO 0.10 -0.93 0.76 0.00 -0.85 0.00 0.00 174.74 173.81 1bfi s VAL 58 N 0.97 5.25 -0.18 0.00 1.01 -1.26 0.20 120.40 126.38 1bfi s VAL 58 Ca 0.40 0.59 -0.06 0.00 0.00 0.00 0.00 61.98 62.91 1bfi s VAL 58 Cb -0.18 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.55 1bfi s VAL 58 CO 0.19 0.51 0.02 -0.63 0.00 0.00 0.00 175.10 175.19 1bfi s ILE 59 N -0.42 4.30 -0.23 2.22 -1.09 0.91 -4.48 121.20 122.42 1bfi s ILE 59 Ca 0.19 -0.20 -0.01 0.00 -2.23 0.00 0.00 60.65 58.40 1bfi s ILE 59 Cb -0.14 -2.93 0.02 0.00 -1.58 0.00 0.00 42.46 37.83 1bfi s ILE 59 CO 0.08 0.45 -0.09 0.20 -1.23 0.00 0.00 174.94 174.35 1bfi s ASN 60 N 0.60 4.11 -0.27 3.58 0.02 -1.02 -2.60 114.94 119.36 1bfi s ASN 60 Ca 0.01 -0.82 -0.11 0.00 -1.02 0.00 0.00 52.86 50.91 1bfi s ASN 60 Cb -0.14 -1.63 -0.05 0.00 0.02 0.00 0.00 41.25 39.45 1bfi s ASN 60 CO 0.02 -0.10 0.20 -0.54 0.02 0.00 0.00 177.10 176.70 1bfi s LYS 61 N 1.32 3.97 -0.35 -0.60 1.02 -1.26 0.28 119.74 124.12 1bfi s LYS 61 Ca 0.01 -0.29 0.14 0.00 0.02 0.00 0.00 55.97 55.86 1bfi s LYS 61 Cb -0.16 -3.64 0.40 0.00 -0.52 0.00 0.00 37.83 33.90 1bfi s LYS 61 CO -0.06 -0.15 0.83 0.25 -0.92 0.00 0.00 175.35 175.30 1bfi n THR 62 N 4.96 0.33 0.00 2.17 -2.24 -1.16 -4.86 114.28 113.48 1bfi n THR 62 Ca -0.14 -3.87 0.00 0.00 -2.27 0.00 0.00 64.05 57.77 1bfi n THR 62 Cb 0.52 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 1bfi n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bfi n ALA 63 N 0.13 0.00 0.02 6.98 0.00 -1.26 -2.77 120.51 123.60 1bfi n ALA 63 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.62 1bfi n ALA 63 Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.17 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 0.00 -2.30 0.00 -1.04 -1.26 -5.04 114.28 104.64 1bfi n THR 64 Ca 0.00 -0.16 -0.25 0.00 -2.04 0.00 0.00 64.05 61.60 1bfi n THR 64 Cb 0.00 0.63 0.06 0.00 -1.82 0.00 0.00 70.33 69.20 1bfi n THR 64 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1bfi s GLY 65 N -1.83 1.72 0.00 3.41 0.00 -1.12 -4.74 107.32 104.76 1bfi s GLY 65 Ca -0.00 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1bfi s GLY 65 CO 0.05 -0.64 0.00 -1.72 0.00 0.00 0.00 173.10 170.78 1bfi n TYR 66 N -2.81 0.00 0.00 1.90 4.01 0.82 -2.98 117.16 118.10 1bfi n TYR 66 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1bfi n TYR 66 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.63 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 3.09 3.25 2.72 0.00 -1.00 -2.42 105.19 110.83 1bfi n GLY 67 Ca 0.00 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.13 1bfi n GLY 67 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bfi n PHE 68 N 0.15 -2.25 -1.69 1.61 3.01 -1.26 -4.86 117.46 112.17 1bfi n PHE 68 Ca 0.00 0.68 -0.38 0.00 1.01 0.00 0.00 57.45 58.76 1bfi n PHE 68 Cb 0.00 -4.56 0.05 0.00 -0.01 0.00 0.00 39.48 34.97 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 -4.03 0.89 -2.79 4.37 0.00 -1.26 -4.98 120.51 112.71 1bfi n ALA 69 Ca -0.07 0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 1bfi n ALA 69 Cb 0.59 -2.25 -0.13 0.00 0.00 0.00 0.00 19.45 17.67 1bfi n ALA 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1bfi s GLU 70 N -2.95 0.55 0.17 0.00 2.12 -1.26 -4.95 118.70 112.37 1bfi s GLU 70 Ca 0.76 -0.52 0.14 0.00 0.36 0.00 0.00 54.97 55.71 1bfi s GLU 70 Cb -0.41 -0.44 0.47 0.00 0.26 0.00 0.00 34.13 34.01 1bfi s GLU 70 CO 0.46 0.10 0.44 -2.30 -0.54 0.00 0.00 175.26 173.43 1bfi n PRO 71 N 2.16 0.00 -3.03 4.30 -0.02 -1.26 0.29 135.00 137.45 1bfi n PRO 71 Ca -0.18 0.32 -0.26 0.00 -2.02 0.00 0.00 63.50 61.36 1bfi n PRO 71 Cb 0.56 -0.74 -0.04 0.00 -0.02 0.00 0.00 33.50 33.26 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 -2.44 3.49 -1.43 6.00 4.11 -1.26 -5.08 117.16 120.55 1bfi n TYR 72 Ca 0.12 -3.99 -0.43 0.00 -0.00 0.00 0.00 57.90 53.61 1bfi n TYR 72 Cb 0.57 -0.49 0.00 0.00 -0.00 0.00 0.00 39.34 39.42 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 -0.04 -1.13 -2.97 9.48 3.02 0.85 -4.96 115.26 119.51 1bfi n ASN 73 Ca 0.30 0.93 0.00 0.00 -0.03 0.00 0.00 54.58 55.78 1bfi n ASN 73 Cb 0.43 -1.07 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 1bfi n ASN 73 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1bfi s LEU 74 N 2.26 -1.06 -0.39 3.41 2.96 -1.26 -4.95 118.68 119.64 1bfi s LEU 74 Ca 0.62 -0.69 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 1bfi s LEU 74 Cb -0.65 1.36 0.16 0.00 0.50 0.00 0.00 46.19 47.56 1bfi s LEU 74 CO 0.59 -0.10 0.37 -0.31 -1.32 0.00 0.00 176.35 175.58 1bfi s TYR 75 N 1.68 0.15 0.16 5.38 2.02 -1.26 -4.99 117.35 120.48 1bfi s TYR 75 Ca 0.18 -1.38 -0.11 0.00 -0.37 0.00 0.00 57.07 55.39 1bfi s TYR 75 Cb 0.00 -0.57 0.02 0.00 -0.40 0.00 0.00 41.96 41.02 1bfi s TYR 75 CO -0.09 -0.94 1.59 0.66 -1.57 0.00 0.00 175.55 175.20 1bfi h SER 76 N 6.42 0.94 -4.15 2.29 4.64 -1.97 -3.45 113.55 118.26 1bfi h SER 76 Ca 0.12 -0.33 -0.38 0.00 -0.47 0.00 0.00 61.79 60.73 1bfi h SER 76 Cb 1.00 -0.25 -0.18 0.00 -0.31 0.00 0.00 62.40 62.66 1bfi h SER 76 CO 0.24 1.04 -0.75 -0.44 -0.87 0.00 0.00 176.83 176.05 1bfi s SER 77 N -6.49 1.79 0.37 4.97 0.01 -1.26 -5.02 113.70 108.07 1bfi s SER 77 Ca -0.12 -0.82 0.10 0.00 1.31 0.00 0.00 55.95 56.42 1bfi s SER 77 Cb 0.12 -0.04 0.73 0.00 0.21 0.00 0.00 66.02 67.04 1bfi s SER 77 CO 0.84 -0.20 1.87 -0.07 0.41 0.00 0.00 173.24 176.09 1bfi h LEU 78 N 3.49 0.18 -0.86 2.44 3.38 -2.00 -2.48 115.31 119.46 1bfi h LEU 78 Ca -0.39 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1bfi h LEU 78 Cb 1.19 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1bfi h LEU 78 CO 0.52 0.41 0.54 0.11 0.09 0.00 0.00 178.44 180.11 1bfi h LYS 79 N 0.17 1.15 -0.51 1.13 1.57 -1.95 -0.86 116.57 117.26 1bfi h LYS 79 Ca 0.03 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1bfi h LYS 79 Cb 0.50 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1bfi h LYS 79 CO 0.03 0.79 0.23 0.93 -0.57 0.00 0.00 179.45 180.86 1bfi h GLU 80 N 1.17 0.75 -0.60 3.15 5.08 -1.86 0.28 114.58 122.55 1bfi h GLU 80 Ca 0.31 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1bfi h GLU 80 Cb -0.08 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 1bfi h GLU 80 CO -0.06 0.65 0.34 1.25 -1.00 0.00 0.00 179.01 180.19 1bfi h LEU 81 N 0.69 0.73 -0.46 1.33 6.46 -1.29 0.20 115.31 122.97 1bfi h LEU 81 Ca 0.17 -0.08 -0.17 0.00 -0.12 0.00 0.00 57.88 57.69 1bfi h LEU 81 Cb 0.16 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 39.90 1bfi h LEU 81 CO -0.02 0.60 -0.54 0.58 -0.62 0.00 0.00 178.44 178.44 1bfi h VAL 82 N 0.81 1.31 -0.38 1.05 2.07 -0.85 -1.53 116.25 118.73 1bfi h VAL 82 Ca 0.21 -1.76 -0.09 0.00 0.82 0.00 0.00 66.70 65.88 1bfi h VAL 82 Cb 0.02 1.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1bfi h VAL 82 CO -0.04 0.56 -0.11 -0.07 0.02 0.00 0.00 177.57 177.93 1bfi h LEU 83 N 0.51 0.75 -0.55 2.57 3.38 -0.09 -2.60 115.31 119.28 1bfi h LEU 83 Ca 0.01 -0.37 -0.14 0.00 0.09 0.00 0.00 57.88 57.47 1bfi h LEU 83 Cb 1.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1bfi h LEU 83 CO 0.11 0.95 -0.34 0.45 0.09 0.00 0.00 178.44 179.69 1bfi h HIS 84 N 0.54 0.95 0.00 1.13 3.86 -0.56 -3.04 115.15 118.03 1bfi h HIS 84 Ca 0.09 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1bfi h HIS 84 Cb 0.63 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1bfi h HIS 84 CO 0.05 1.03 0.00 1.88 0.86 0.00 0.00 177.93 181.75 1bfi h TYR 85 N 0.67 0.00 0.00 2.45 -1.99 -1.23 -2.10 116.97 114.77 1bfi h TYR 85 Ca 0.07 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.71 1bfi h TYR 85 Cb 0.89 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.61 1bfi h TYR 85 CO 0.05 0.00 -0.39 -0.56 -0.00 0.00 0.00 178.16 177.26 1bfi h GLN 86 N 0.00 0.00 0.00 4.88 3.07 -1.33 -3.12 115.11 118.61 1bfi h GLN 86 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1bfi h GLN 86 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.11 1bfi h GLN 86 CO 0.00 0.39 -1.26 1.58 0.09 0.00 0.00 178.83 179.63 1bfi n HIS 87 N -3.29 0.18 -4.08 0.06 -0.00 -1.04 -4.49 115.22 102.56 1bfi n HIS 87 Ca 0.01 0.05 -0.36 0.00 0.46 0.00 0.00 57.72 57.89 1bfi n HIS 87 Cb 0.63 -0.39 -0.07 0.00 -0.12 0.00 0.00 29.99 30.03 1bfi n HIS 87 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1bfi s THR 88 N -3.25 5.01 0.01 3.57 2.01 -0.82 -5.08 115.64 117.10 1bfi s THR 88 Ca 0.01 0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.83 1bfi s THR 88 Cb 0.14 -3.16 -0.06 0.00 0.01 0.00 0.00 72.50 69.44 1bfi s THR 88 CO 0.84 0.61 0.60 -0.94 -0.69 0.00 0.00 174.62 175.05 1bfi s SER 89 N -0.96 7.00 0.01 3.53 1.04 -1.26 -4.53 113.70 118.53 1bfi s SER 89 Ca 0.14 1.19 0.15 0.00 0.48 0.00 0.00 55.95 57.91 1bfi s SER 89 Cb -0.12 -2.37 0.63 0.00 0.10 0.00 0.00 66.02 64.26 1bfi s SER 89 CO 0.03 0.12 1.47 0.18 0.98 0.00 0.00 173.24 176.02 1bfi n LEU 90 N 2.62 0.04 -0.23 2.42 4.77 -0.09 -3.74 117.00 122.80 1bfi n LEU 90 Ca -0.07 0.51 0.21 0.00 -0.03 0.00 0.00 56.01 56.63 1bfi n LEU 90 Cb 0.51 -0.50 0.39 0.00 -2.33 0.00 0.00 43.42 41.49 1bfi n LEU 90 CO 0.44 -0.27 0.73 0.55 -1.33 0.00 0.00 177.39 177.50 1bfi n VAL 91 N -1.54 -0.29 1.13 4.08 3.14 1.93 0.42 118.33 127.19 1bfi n VAL 91 Ca 0.03 1.43 0.12 0.00 -2.96 0.00 0.00 64.34 62.96 1bfi n VAL 91 Cb 0.17 -2.30 0.60 0.00 -1.06 0.00 0.00 33.84 31.25 1bfi n VAL 91 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1bfi n GLN 92 N -4.61 0.33 -0.23 1.45 6.02 -1.25 0.13 117.38 119.21 1bfi n GLN 92 Ca 0.26 0.06 -0.05 0.00 -0.01 0.00 0.00 57.00 57.26 1bfi n GLN 92 Cb 0.87 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.69 1bfi n GLN 92 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1bfi h HIS 93 N 0.00 0.81 0.00 1.08 2.76 0.82 -3.34 115.15 117.29 1bfi h HIS 93 Ca 0.00 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1bfi h HIS 93 Cb 0.24 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 28.93 1bfi h HIS 93 CO 0.00 0.49 -0.28 -1.71 -1.30 0.00 0.00 177.93 175.13 1bfi n ASN 94 N -4.65 0.00 -2.75 3.26 5.15 -1.22 -4.98 115.26 110.07 1bfi n ASN 94 Ca 0.06 -1.56 -0.18 0.00 -0.60 0.00 0.00 54.58 52.30 1bfi n ASN 94 Cb 0.04 -0.11 0.05 0.00 -0.53 0.00 0.00 39.78 39.23 1bfi n ASN 94 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1bfi n ASP 95 N 0.00 -5.31 0.00 1.20 -0.08 0.34 -4.77 116.55 107.93 1bfi n ASP 95 Ca 0.00 -0.36 0.00 0.00 -1.51 0.00 0.00 54.79 52.92 1bfi n ASP 95 Cb 0.61 -3.97 0.00 0.00 2.34 0.00 0.00 41.12 40.10 1bfi n ASP 95 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1bfi n SER 96 N -1.85 0.00 -3.75 1.67 7.64 -0.29 -4.97 113.62 112.07 1bfi n SER 96 Ca -0.02 -0.59 -0.41 0.00 1.01 0.00 0.00 58.87 58.87 1bfi n SER 96 Cb 0.56 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.77 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 6.73 -3.81 -3.43 7.99 -1.22 -4.87 117.00 118.39 1bfi n LEU 97 Ca 0.00 -5.34 -0.42 0.00 -0.01 0.00 0.00 56.01 50.24 1bfi n LEU 97 Cb 0.18 -1.17 -0.01 0.00 -0.11 0.00 0.00 43.42 42.32 1bfi n LEU 97 CO 0.00 1.92 2.56 -0.46 -1.51 0.00 0.00 177.39 179.90 1bfi n ASN 98 N 0.52 3.85 -3.80 -1.43 6.94 -1.26 0.51 115.26 120.59 1bfi n ASN 98 Ca 0.37 -2.83 -0.10 0.00 -0.02 0.00 0.00 54.58 52.00 1bfi n ASN 98 Cb 0.30 -1.62 -0.07 0.00 -2.36 0.00 0.00 39.78 36.03 1bfi n ASN 98 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1bfi s VAL 99 N 3.54 0.12 0.13 3.53 0.11 -1.26 -4.84 120.40 121.72 1bfi s VAL 99 Ca 0.49 -0.96 0.10 0.00 -2.93 0.00 0.00 61.98 58.68 1bfi s VAL 99 Cb 0.13 -1.18 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1bfi s VAL 99 CO -0.05 -0.53 -0.24 0.42 -3.33 0.00 0.00 175.10 171.37 1bfi s THR 100 N -3.45 2.03 -0.33 5.04 -4.23 -1.26 -0.91 115.64 112.53 1bfi s THR 100 Ca 0.02 -1.71 -0.03 0.00 -1.18 0.00 0.00 61.69 58.78 1bfi s THR 100 Cb 0.03 -1.83 0.05 0.00 1.34 0.00 0.00 72.50 72.08 1bfi s THR 100 CO -0.09 -0.01 2.69 0.00 -0.54 0.00 0.00 174.62 176.67 1bfi n LEU 101 N 0.89 6.24 -0.06 4.79 -0.00 -1.20 -4.16 117.00 123.50 1bfi n LEU 101 Ca -0.18 -3.68 0.15 0.00 -0.00 0.00 0.00 56.01 52.30 1bfi n LEU 101 Cb 0.54 -1.21 0.70 0.00 -0.00 0.00 0.00 43.42 43.44 1bfi n LEU 101 CO 0.24 1.58 0.95 0.00 -0.00 0.00 0.00 177.39 180.15 1bfi n ALA 102 N 1.02 2.64 -3.56 1.47 0.00 -1.22 -4.56 120.51 116.30 1bfi n ALA 102 Ca 0.41 -0.21 -0.35 0.00 0.00 0.00 0.00 53.44 53.30 1bfi n ALA 102 Cb 0.61 -1.41 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.48 2.93 0.43 0.00 1.51 -0.50 -5.02 117.35 114.22 1bfi s TYR 103 Ca 0.30 -1.01 -0.23 0.00 -1.01 0.00 0.00 57.07 55.12 1bfi s TYR 103 Cb 0.20 -2.07 -0.08 0.00 -0.11 0.00 0.00 41.96 39.90 1bfi s TYR 103 CO 0.46 -0.56 1.09 -1.25 -1.11 0.00 0.00 175.55 174.18 1bfi s PRO 104 N 1.41 3.99 0.25 -1.71 0.04 -1.26 -2.05 135.00 135.67 1bfi s PRO 104 Ca 0.05 1.59 0.15 0.00 0.04 0.00 0.00 61.00 62.83 1bfi s PRO 104 Cb -0.14 -2.46 0.03 0.00 0.04 0.00 0.00 34.50 31.97 1bfi s PRO 104 CO -0.04 -0.31 1.38 -0.24 0.04 0.00 0.00 177.00 177.83 1bfi h VAL 105 N 2.03 0.90 -1.49 -0.36 3.04 -1.25 -3.34 116.25 115.78 1bfi h VAL 105 Ca -0.49 -2.29 -0.64 0.00 -1.01 0.00 0.00 66.70 62.27 1bfi h VAL 105 Cb 1.23 2.42 -0.37 0.00 -2.01 0.00 0.00 31.29 32.56 1bfi h VAL 105 CO 0.61 0.51 -0.11 -1.22 -1.01 0.00 0.00 177.57 176.35 1bfi n TYR 106 N -3.21 3.18 -2.57 3.17 4.02 0.17 -4.96 117.16 116.96 1bfi n TYR 106 Ca 0.01 -2.76 -0.41 0.00 -0.01 0.00 0.00 57.90 54.73 1bfi n TYR 106 Cb 0.76 -0.54 -0.03 0.00 -0.02 0.00 0.00 39.34 39.51 1bfi n TYR 106 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bfi s ALA 107 N -3.72 2.75 0.24 -0.72 0.00 -1.25 -4.26 121.76 114.80 1bfi s ALA 107 Ca 0.51 -1.81 -0.03 0.00 0.00 0.00 0.00 51.96 50.63 1bfi s ALA 107 Cb 0.42 -4.37 0.27 0.00 0.00 0.00 0.00 23.12 19.45 1bfi s ALA 107 CO -0.20 -3.42 1.73 0.37 0.00 0.00 0.00 175.76 174.24 1bfi h GLN 108 N 9.89 0.85 -0.80 0.00 5.75 -1.94 -2.06 115.11 126.80 1bfi h GLN 108 Ca -0.06 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.20 1bfi h GLN 108 Cb 1.03 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.45 1bfi h GLN 108 CO 1.34 0.86 0.49 0.37 -2.65 0.00 0.00 178.83 179.24 1bfi h GLN 109 N 0.78 1.07 0.00 1.69 5.75 -2.04 -2.18 115.11 120.19 1bfi h GLN 109 Ca 0.15 -0.09 -0.14 0.00 -0.15 0.00 0.00 58.65 58.42 1bfi h GLN 109 Cb 0.49 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1bfi h GLN 109 CO 0.02 0.75 -0.67 0.00 -2.65 0.00 0.00 178.83 176.28 1bfi h ARG 110 N 1.09 0.00 0.00 1.69 2.47 -1.92 -3.57 114.38 114.14 1bfi h ARG 110 Ca 0.29 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 1bfi h ARG 110 Cb -0.06 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.26 1bfi h ARG 110 CO -0.06 0.67 0.00 -2.13 0.56 0.00 0.00 179.97 179.02