#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 6.06 -0.15 1.62 1.01 -1.26 -4.98 116.67 118.97 1bfi s ASP 2 Ca 0.00 2.36 -0.21 0.00 0.71 0.00 0.00 52.55 55.41 1bfi s ASP 2 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1bfi s ASP 2 CO 0.00 -0.99 0.63 -0.22 0.21 0.00 0.00 175.17 174.79 1bfi s LEU 3 N -3.09 4.21 0.65 1.23 2.96 -1.26 -4.92 118.68 118.46 1bfi s LEU 3 Ca 0.65 0.92 0.23 0.00 -0.22 0.00 0.00 54.13 55.71 1bfi s LEU 3 Cb -0.30 -2.91 1.24 0.00 0.50 0.00 0.00 46.19 44.72 1bfi s LEU 3 CO 0.36 -0.20 1.70 -0.65 -1.32 0.00 0.00 176.35 176.24 1bfi h PRO 4 N 7.19 0.00 0.00 0.98 0.11 -1.93 0.31 132.00 138.65 1bfi h PRO 4 Ca -0.35 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.64 1bfi h PRO 4 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1bfi h PRO 4 CO 0.77 0.00 -0.56 0.45 -0.21 0.00 0.00 178.00 178.45 1bfi h HIS 5 N 0.00 0.00 0.00 0.65 3.86 -2.00 -2.02 115.15 115.64 1bfi h HIS 5 Ca 0.05 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1bfi h HIS 5 Cb 1.10 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.57 1bfi h HIS 5 CO 0.00 0.56 -0.06 0.45 0.86 0.00 0.00 177.93 179.74 1bfi h HIS 6 N 0.00 0.00 -3.61 2.45 3.86 -0.77 -3.38 115.15 113.70 1bfi h HIS 6 Ca -0.01 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.54 1bfi h HIS 6 Cb 1.01 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 29.31 1bfi h HIS 6 CO 0.00 0.06 -0.18 -0.51 0.86 0.00 0.00 177.93 178.16 1bfi s ASP 7 N -5.78 6.23 0.26 2.45 1.01 -0.76 -4.94 116.67 115.14 1bfi s ASP 7 Ca -0.01 -0.32 0.05 0.00 0.71 0.00 0.00 52.55 52.98 1bfi s ASP 7 Cb 0.11 -2.23 0.34 0.00 1.01 0.00 0.00 42.92 42.15 1bfi s ASP 7 CO 0.54 -0.47 1.63 -0.08 0.21 0.00 0.00 175.17 177.00 1bfi h GLU 8 N 8.56 0.28 0.00 8.23 4.81 -1.79 -2.93 114.58 131.73 1bfi h GLU 8 Ca -0.28 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1bfi h GLU 8 Cb 1.13 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1bfi h GLU 8 CO 0.76 0.71 0.00 0.36 -0.73 0.00 0.00 179.01 180.11 1bfi n LYS 9 N -3.96 0.16 -0.17 1.92 0.00 -1.26 0.71 118.16 115.56 1bfi n LYS 9 Ca -0.02 0.36 -0.03 0.00 -0.00 0.00 0.00 58.31 58.62 1bfi n LYS 9 Cb 0.54 -1.78 0.18 0.00 -0.00 0.00 0.00 35.03 33.97 1bfi n LYS 9 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1bfi h THR 10 N 0.00 1.22 0.00 0.58 1.35 -1.69 -3.32 112.91 111.05 1bfi h THR 10 Ca 0.00 -0.73 -0.04 0.00 -0.55 0.00 0.00 66.41 65.09 1bfi h THR 10 Cb 0.38 0.51 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 1bfi h THR 10 CO 0.00 0.29 -1.17 -2.67 -0.25 0.00 0.00 175.52 171.71 1bfi n TRP 11 N -4.30 0.00 -2.96 4.73 4.27 -1.09 0.17 117.44 118.25 1bfi n TRP 11 Ca 0.05 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.25 1bfi n TRP 11 Cb 0.18 -0.12 -0.05 0.00 -1.36 0.00 0.00 31.31 29.97 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 -3.11 6.73 -0.05 -0.67 2.47 0.22 0.25 114.94 120.78 1bfi s ASN 12 Ca -0.01 0.89 0.25 0.00 0.42 0.00 0.00 52.86 54.40 1bfi s ASN 12 Cb 0.01 -2.40 0.43 0.00 -1.45 0.00 0.00 41.25 37.84 1bfi s ASN 12 CO 0.11 -0.48 1.16 0.55 -3.72 0.00 0.00 177.10 174.72 1bfi n VAL 13 N 5.27 0.24 0.28 -5.21 3.14 -0.22 -4.24 118.33 117.60 1bfi n VAL 13 Ca 0.03 -1.34 0.02 0.00 -2.96 0.00 0.00 64.34 60.09 1bfi n VAL 13 Cb 0.48 1.05 0.03 0.00 -1.06 0.00 0.00 33.84 34.33 1bfi n VAL 13 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1bfi n GLY 14 N 0.26 -0.49 0.25 7.55 0.00 -1.20 0.21 105.19 111.76 1bfi n GLY 14 Ca 0.05 0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.26 1bfi n GLY 14 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bfi h SER 15 N 0.00 0.00 -3.11 1.61 4.64 -1.92 -3.42 113.55 111.35 1bfi h SER 15 Ca 0.03 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.76 1bfi h SER 15 Cb 1.97 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.02 1bfi h SER 15 CO -0.00 0.00 -0.25 -0.44 -0.87 0.00 0.00 176.83 175.27 1bfi s SER 16 N -4.67 6.64 0.77 4.97 0.01 0.56 -5.09 113.70 116.89 1bfi s SER 16 Ca -0.03 0.79 -0.12 0.00 1.31 0.00 0.00 55.95 57.90 1bfi s SER 16 Cb 0.10 -2.18 0.05 0.00 0.21 0.00 0.00 66.02 64.20 1bfi s SER 16 CO 0.33 0.17 1.14 0.54 0.41 0.00 0.00 173.24 175.83 1bfi s ASN 17 N -1.77 4.88 0.24 2.44 2.20 -1.26 -4.80 114.94 116.87 1bfi s ASN 17 Ca 0.33 0.96 -0.06 0.00 -0.94 0.00 0.00 52.86 53.15 1bfi s ASN 17 Cb -0.14 -1.60 0.24 0.00 -2.00 0.00 0.00 41.25 37.75 1bfi s ASN 17 CO 0.18 -1.68 1.88 0.03 -2.94 0.00 0.00 177.10 174.57 1bfi h ARG 18 N -0.90 1.28 -0.47 3.55 3.08 -1.95 -1.65 114.38 117.32 1bfi h ARG 18 Ca -0.46 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.44 1bfi h ARG 18 Cb 1.29 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 1bfi h ARG 18 CO 0.65 0.90 0.19 -0.91 -1.07 0.00 0.00 179.97 179.73 1bfi h ASN 19 N 1.29 0.64 -0.49 7.04 -0.26 -2.01 -2.05 115.58 119.74 1bfi h ASN 19 Ca 0.33 -0.16 -0.01 0.00 -0.56 0.00 0.00 56.30 55.90 1bfi h ASN 19 Cb -0.04 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 37.03 1bfi h ASN 19 CO -0.06 0.62 0.28 0.50 -1.06 0.00 0.00 177.43 177.71 1bfi h LYS 20 N 0.61 0.71 -0.65 0.81 1.63 -1.84 -0.76 116.57 117.08 1bfi h LYS 20 Ca 0.16 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 59.91 1bfi h LYS 20 Cb 0.18 -0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 31.63 1bfi h LYS 20 CO -0.01 0.53 0.43 0.00 -3.45 0.00 0.00 179.45 176.94 1bfi h ALA 21 N 1.59 1.63 -0.53 5.00 0.00 -0.60 -1.32 119.26 125.04 1bfi h ALA 21 Ca 0.18 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1bfi h ALA 21 Cb 0.03 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1bfi h ALA 21 CO -0.03 0.31 0.29 0.93 0.00 0.00 0.00 179.25 180.75 1bfi h GLU 22 N 0.79 0.54 -0.89 0.00 5.08 -0.81 1.67 114.58 120.95 1bfi h GLU 22 Ca 0.26 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1bfi h GLU 22 Cb 0.05 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1bfi h GLU 22 CO -0.07 0.36 0.51 -0.91 -1.00 0.00 0.00 179.01 177.90 1bfi h ASN 23 N 0.56 1.10 -0.47 1.42 2.35 -1.22 2.71 115.58 122.02 1bfi h ASN 23 Ca 0.23 -0.09 -0.13 0.00 -0.55 0.00 0.00 56.30 55.76 1bfi h ASN 23 Cb 0.10 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.18 1bfi h ASN 23 CO -0.14 0.87 -0.20 -0.07 -1.65 0.00 0.00 177.43 176.24 1bfi h LEU 24 N 1.24 0.99 0.00 1.61 3.38 -0.28 1.08 115.31 123.34 1bfi h LEU 24 Ca 0.32 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1bfi h LEU 24 Cb -0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1bfi h LEU 24 CO -0.05 1.16 -0.24 -0.07 0.09 0.00 0.00 178.44 179.32 1bfi h LEU 25 N 0.85 0.00 0.00 1.67 3.38 0.33 -2.81 115.31 118.72 1bfi h LEU 25 Ca 0.11 -0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.77 1bfi h LEU 25 Cb 0.77 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.47 1bfi h LEU 25 CO 0.06 0.02 -1.87 0.54 0.09 0.00 0.00 178.44 177.29 1bfi n ARG 26 N -2.51 0.65 -0.26 1.13 5.12 0.90 -3.90 116.66 117.79 1bfi n ARG 26 Ca 0.04 0.16 0.09 0.00 -1.93 0.00 0.00 57.85 56.21 1bfi n ARG 26 Cb 0.47 -1.70 0.25 0.00 -1.16 0.00 0.00 32.46 30.33 1bfi n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bfi n GLY 27 N 1.56 1.53 3.27 -0.13 0.00 0.37 -4.88 105.19 106.90 1bfi n GLY 27 Ca -0.19 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 1bfi n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bfi s LYS 28 N -1.31 1.39 0.77 1.61 -0.14 -1.06 -5.00 119.74 115.99 1bfi s LYS 28 Ca 0.37 -0.99 -0.12 0.00 -1.36 0.00 0.00 55.97 53.88 1bfi s LYS 28 Cb 0.20 -1.54 0.05 0.00 -1.68 0.00 0.00 37.83 34.86 1bfi s LYS 28 CO 0.26 0.39 1.11 1.03 -0.76 0.00 0.00 175.35 177.38 1bfi s ARG 29 N -1.29 2.35 0.91 1.68 0.52 -1.26 -4.88 118.95 116.98 1bfi s ARG 29 Ca 0.08 0.49 -0.13 0.00 -0.52 0.00 0.00 55.73 55.64 1bfi s ARG 29 Cb -0.09 -1.96 0.03 0.00 0.52 0.00 0.00 34.95 33.45 1bfi s ARG 29 CO 0.02 -1.40 0.50 -0.40 0.02 0.00 0.00 175.30 174.04 1bfi n ASP 30 N -3.26 -1.68 0.00 0.23 5.75 -1.26 -2.58 116.55 113.75 1bfi n ASP 30 Ca 0.07 0.38 0.00 0.00 -0.01 0.00 0.00 54.79 55.23 1bfi n ASP 30 Cb 0.57 -1.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.43 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 1.41 2.54 3.69 6.12 0.00 -1.03 -4.95 105.19 112.96 1bfi n GLY 31 Ca 0.08 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.22 4.44 0.25 2.61 2.01 -1.07 -2.56 115.64 120.11 1bfi s THR 32 Ca 0.00 1.75 0.01 0.00 0.31 0.00 0.00 61.69 63.76 1bfi s THR 32 Cb 0.00 -4.12 -0.05 0.00 0.01 0.00 0.00 72.50 68.34 1bfi s THR 32 CO 0.00 0.01 0.11 0.72 -0.69 0.00 0.00 174.62 174.77 1bfi s PHE 33 N 2.07 1.46 0.18 4.92 -0.71 -0.13 -2.20 117.98 123.57 1bfi s PHE 33 Ca 0.53 -1.25 -0.11 0.00 -1.04 0.00 0.00 56.93 55.06 1bfi s PHE 33 Cb -0.23 -0.82 -0.00 0.00 -1.21 0.00 0.00 43.02 40.76 1bfi s PHE 33 CO 0.21 -0.43 0.34 -0.48 -1.34 0.00 0.00 175.22 173.52 1bfi s LEU 34 N -3.29 0.74 -0.16 -1.99 0.05 0.60 -1.54 118.68 113.08 1bfi s LEU 34 Ca 0.38 -0.82 0.01 0.00 0.05 0.00 0.00 54.13 53.75 1bfi s LEU 34 Cb 0.07 1.40 0.02 0.00 -2.05 0.00 0.00 46.19 45.63 1bfi s LEU 34 CO 0.14 -0.95 -0.20 -0.69 -0.55 0.00 0.00 176.35 174.10 1bfi s VAL 35 N -3.96 2.00 0.24 1.48 1.01 0.69 -0.40 120.40 121.47 1bfi s VAL 35 Ca 0.17 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.27 1bfi s VAL 35 Cb 0.02 -1.80 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 1bfi s VAL 35 CO 0.01 0.53 0.13 -2.11 0.00 0.00 0.00 175.10 173.67 1bfi n ARG 36 N 4.47 0.50 -2.70 2.72 1.85 -0.69 -1.05 116.66 121.76 1bfi n ARG 36 Ca -0.20 -2.20 -0.22 0.00 -1.00 0.00 0.00 57.85 54.23 1bfi n ARG 36 Cb 0.50 1.47 0.07 0.00 -1.05 0.00 0.00 32.46 33.45 1bfi n ARG 36 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 1bfi s GLU 37 N -2.95 2.10 0.00 2.89 2.02 -1.26 -1.16 118.70 120.33 1bfi s GLU 37 Ca 0.19 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 54.06 1bfi s GLU 37 Cb 0.01 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.78 1bfi s GLU 37 CO 0.13 -1.07 0.75 0.43 0.02 0.00 0.00 175.26 175.52 1bfi n SER 38 N -2.53 0.10 0.00 -0.19 7.64 0.11 -4.56 113.62 114.19 1bfi n SER 38 Ca 0.13 -1.59 0.00 0.00 1.01 0.00 0.00 58.87 58.41 1bfi n SER 38 Cb 0.60 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1bfi n SER 38 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1bfi n SER 39 N -0.42 0.00 -0.07 6.43 2.88 -1.26 -4.55 113.62 116.62 1bfi n SER 39 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1bfi n SER 39 Cb 0.03 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.43 1bfi n SER 39 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1bfi n LYS 40 N 0.00 0.30 -1.23 -1.46 5.02 -1.26 -5.02 118.16 114.51 1bfi n LYS 40 Ca 0.00 0.11 -0.31 0.00 -2.02 0.00 0.00 58.31 56.09 1bfi n LYS 40 Cb 0.00 -1.10 0.10 0.00 -0.02 0.00 0.00 35.03 34.01 1bfi n LYS 40 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1bfi s GLN 41 N -2.25 2.10 0.00 1.97 -2.07 -1.26 -4.86 119.66 113.28 1bfi s GLN 41 Ca -0.19 1.15 -0.04 0.00 -1.82 0.00 0.00 55.36 54.46 1bfi s GLN 41 Cb 0.06 -1.88 -0.19 0.00 -1.09 0.00 0.00 33.01 29.91 1bfi s GLN 41 CO 0.27 -1.75 2.98 0.41 -1.32 0.00 0.00 175.29 175.87 1bfi n GLY 42 N -1.14 2.66 3.56 2.60 0.00 -1.26 -4.23 105.19 107.39 1bfi n GLY 42 Ca 0.09 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.78 2.57 -0.09 0.00 2.02 -0.88 0.07 117.35 119.27 1bfi s TYR 44 Ca 0.25 -0.24 -0.05 0.00 -0.37 0.00 0.00 57.07 56.65 1bfi s TYR 44 Cb -0.08 -1.29 0.04 0.00 -0.40 0.00 0.00 41.96 40.22 1bfi s TYR 44 CO 0.15 0.48 0.22 0.00 -1.57 0.00 0.00 175.55 174.83 1bfi s ALA 45 N -1.55 -0.49 -0.36 3.71 0.00 -0.31 0.20 121.76 122.96 1bfi s ALA 45 Ca 0.23 0.80 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 1bfi s ALA 45 Cb -0.09 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 1bfi s ALA 45 CO 0.13 -0.16 0.26 0.00 0.00 0.00 0.00 175.76 175.99 1bfi s SER 47 N 1.71 6.89 0.12 0.00 0.15 0.47 0.49 113.70 123.53 1bfi s SER 47 Ca 0.06 1.07 0.05 0.00 0.70 0.00 0.00 55.95 57.82 1bfi s SER 47 Cb -0.18 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.81 1bfi s SER 47 CO 0.10 0.28 -0.12 -0.69 1.20 0.00 0.00 173.24 174.01 1bfi s VAL 48 N -1.15 1.19 -0.15 4.45 1.01 0.15 -0.29 120.40 125.62 1bfi s VAL 48 Ca 0.27 -1.79 -0.07 0.00 0.00 0.00 0.00 61.98 60.39 1bfi s VAL 48 Cb -0.17 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1bfi s VAL 48 CO 0.16 -0.54 0.11 -0.69 0.00 0.00 0.00 175.10 174.14 1bfi s VAL 49 N -2.54 5.28 0.09 2.92 1.01 -0.93 0.88 120.40 127.10 1bfi s VAL 49 Ca 0.10 0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.31 1bfi s VAL 49 Cb -0.02 -3.33 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1bfi s VAL 49 CO 0.02 0.55 -0.24 -0.69 0.00 0.00 0.00 175.10 174.73 1bfi s VAL 50 N -0.45 2.00 -1.51 2.92 1.01 -0.79 -2.47 120.40 121.11 1bfi s VAL 50 Ca 0.11 -1.52 0.00 0.00 0.00 0.00 0.00 61.98 60.57 1bfi s VAL 50 Cb -0.12 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1bfi s VAL 50 CO 0.02 0.14 0.02 0.47 0.00 0.00 0.00 175.10 175.75 1bfi n ASP 51 N 1.32 0.00 0.00 3.32 8.00 -1.26 -1.87 116.55 126.06 1bfi n ASP 51 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1bfi n ASP 51 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 1bfi n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bfi n GLY 52 N -0.41 0.00 3.60 0.44 0.00 -1.26 -5.10 105.19 102.47 1bfi n GLY 52 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.20 1.26 0.22 1.61 2.12 -0.78 -5.13 118.70 116.80 1bfi s GLU 53 Ca 0.00 -0.58 -0.30 0.00 0.36 0.00 0.00 54.97 54.45 1bfi s GLU 53 Cb 0.00 0.50 -0.09 0.00 0.26 0.00 0.00 34.13 34.80 1bfi s GLU 53 CO 0.00 -0.56 1.38 0.08 -0.54 0.00 0.00 175.26 175.61 1bfi s VAL 54 N -3.54 2.93 -0.07 3.70 1.01 -1.26 -1.88 120.40 121.29 1bfi s VAL 54 Ca 0.06 0.77 0.02 0.00 0.00 0.00 0.00 61.98 62.83 1bfi s VAL 54 Cb -0.02 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 1bfi s VAL 54 CO -0.05 0.12 -0.10 -0.54 0.00 0.00 0.00 175.10 174.53 1bfi s LYS 55 N -0.24 2.72 -0.56 2.72 -0.14 0.25 -4.89 119.74 119.61 1bfi s LYS 55 Ca 0.58 -0.61 0.04 0.00 -1.36 0.00 0.00 55.97 54.62 1bfi s LYS 55 Cb -0.39 -2.52 0.14 0.00 -1.68 0.00 0.00 37.83 33.38 1bfi s LYS 55 CO 0.41 0.61 0.31 -1.58 -0.76 0.00 0.00 175.35 174.33 1bfi s HIS 56 N -0.67 3.20 0.30 3.18 2.46 -1.26 0.31 115.29 122.81 1bfi s HIS 56 Ca 0.10 -3.18 -0.29 0.00 0.47 0.00 0.00 55.06 52.16 1bfi s HIS 56 Cb -0.11 -2.74 -0.10 0.00 -0.13 0.00 0.00 32.58 29.50 1bfi s HIS 56 CO 0.01 -0.70 1.20 0.00 -2.47 0.00 0.00 174.74 172.79 1bfi s VAL 58 N -1.08 4.00 -0.27 0.00 1.01 -1.26 0.32 120.40 123.12 1bfi s VAL 58 Ca 0.47 -0.32 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 1bfi s VAL 58 Cb -0.36 -2.76 -0.00 0.00 0.00 0.00 0.00 36.38 33.26 1bfi s VAL 58 CO 0.46 0.49 0.06 -0.63 0.00 0.00 0.00 175.10 175.48 1bfi s ILE 59 N 0.40 3.99 -0.38 2.22 -1.09 0.54 -4.69 121.20 122.20 1bfi s ILE 59 Ca -0.03 -0.51 -0.17 0.00 -2.23 0.00 0.00 60.65 57.71 1bfi s ILE 59 Cb -0.14 -2.97 0.00 0.00 -1.58 0.00 0.00 42.46 37.77 1bfi s ILE 59 CO 0.03 0.20 0.47 0.21 -1.23 0.00 0.00 174.94 174.62 1bfi s ASN 60 N 1.53 6.25 -0.25 3.58 2.47 -0.10 -2.08 114.94 126.34 1bfi s ASN 60 Ca 0.04 -0.30 -0.26 0.00 0.42 0.00 0.00 52.86 52.76 1bfi s ASN 60 Cb -0.16 -2.24 0.00 0.00 -1.45 0.00 0.00 41.25 37.39 1bfi s ASN 60 CO 0.02 -0.51 0.88 -0.75 -3.72 0.00 0.00 177.10 173.02 1bfi s LYS 61 N 2.28 4.16 0.05 0.43 2.20 -1.26 -0.14 119.74 127.46 1bfi s LYS 61 Ca 0.16 0.99 -0.02 0.00 -0.36 0.00 0.00 55.97 56.73 1bfi s LYS 61 Cb -0.16 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1bfi s LYS 61 CO 0.14 -0.59 0.01 0.99 -0.36 0.00 0.00 175.35 175.53 1bfi s THR 62 N 2.99 0.19 0.25 3.43 2.01 -1.26 -4.84 115.64 118.41 1bfi s THR 62 Ca 0.37 -1.59 -0.03 0.00 0.31 0.00 0.00 61.69 60.74 1bfi s THR 62 Cb -0.15 -1.33 0.23 0.00 0.01 0.00 0.00 72.50 71.26 1bfi s THR 62 CO 0.08 -0.88 1.81 0.00 -0.69 0.00 0.00 174.62 174.94 1bfi h ALA 63 N 3.29 1.24 -0.24 7.40 0.00 -2.04 -2.47 119.26 126.43 1bfi h ALA 63 Ca -0.34 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1bfi h ALA 63 Cb 1.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1bfi h ALA 63 CO 0.61 0.09 0.00 0.25 0.00 0.00 0.00 179.25 180.21 1bfi n THR 64 N -4.74 1.36 -1.11 0.00 -2.24 -1.26 -5.01 114.28 101.27 1bfi n THR 64 Ca 0.15 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.64 1bfi n THR 64 Cb 0.31 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 -0.04 5.27 0.00 3.38 0.00 -0.93 -4.75 105.19 108.12 1bfi n GLY 65 Ca 0.12 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1bfi n GLY 65 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bfi n TYR 66 N 0.00 0.00 0.00 1.61 9.36 0.80 -4.17 117.16 124.76 1bfi n TYR 66 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 1bfi n TYR 66 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 1bfi n TYR 66 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1bfi n GLY 67 N 0.00 1.46 3.83 2.98 0.00 0.32 -0.93 105.19 112.84 1bfi n GLY 67 Ca 0.00 -0.40 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 3.37 -0.13 1.61 0.40 -1.26 -4.68 117.98 117.29 1bfi s PHE 68 Ca 0.00 1.52 0.21 0.00 -0.60 0.00 0.00 56.93 58.06 1bfi s PHE 68 Cb 0.00 -2.80 0.45 0.00 0.51 0.00 0.00 43.02 41.18 1bfi s PHE 68 CO 0.00 -0.20 1.17 0.00 0.70 0.00 0.00 175.22 176.89 1bfi n ALA 69 N -1.01 2.91 -0.08 5.36 0.00 -1.26 -4.36 120.51 122.06 1bfi n ALA 69 Ca 0.07 -2.76 0.01 0.00 0.00 0.00 0.00 53.44 50.76 1bfi n ALA 69 Cb 0.54 -0.66 0.32 0.00 0.00 0.00 0.00 19.45 19.65 1bfi n ALA 69 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bfi h GLU 70 N 1.49 0.70 -0.66 0.00 4.57 -2.01 -0.38 114.58 118.28 1bfi h GLU 70 Ca -0.11 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1bfi h GLU 70 Cb 1.55 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 30.00 1bfi h GLU 70 CO 0.16 0.52 0.00 -0.35 -1.18 0.00 0.00 179.01 178.16 1bfi n PRO 71 N -4.40 3.92 -2.97 0.92 -0.04 -1.26 -4.88 135.00 126.29 1bfi n PRO 71 Ca 0.04 -2.45 -0.13 0.00 -0.04 0.00 0.00 63.50 60.92 1bfi n PRO 71 Cb 0.10 -2.05 0.04 0.00 -0.04 0.00 0.00 33.50 31.55 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 0.56 -1.45 -3.65 0.54 4.01 -0.15 -2.69 117.16 114.33 1bfi n TYR 72 Ca 0.22 0.48 -0.23 0.00 -0.16 0.00 0.00 57.90 58.20 1bfi n TYR 72 Cb 0.95 -3.16 0.06 0.00 -0.31 0.00 0.00 39.34 36.89 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 -0.89 -4.28 -1.14 7.72 5.03 -1.26 -4.89 115.26 115.56 1bfi n ASN 73 Ca -0.02 -0.65 -0.05 0.00 0.87 0.00 0.00 54.58 54.73 1bfi n ASN 73 Cb 0.54 -4.65 0.18 0.00 -1.02 0.00 0.00 39.78 34.84 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 -4.63 3.97 -4.71 3.41 4.77 -1.10 -4.78 117.00 113.93 1bfi n LEU 74 Ca -0.10 -3.92 -0.38 0.00 -0.03 0.00 0.00 56.01 51.59 1bfi n LEU 74 Cb 0.59 -0.60 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 1bfi n LEU 74 CO 0.67 1.39 0.84 -1.22 -1.33 0.00 0.00 177.39 177.74 1bfi n TYR 75 N -1.09 1.78 -0.10 -1.77 4.01 -1.26 -4.94 117.16 113.79 1bfi n TYR 75 Ca 0.32 0.43 -0.23 0.00 -0.16 0.00 0.00 57.90 58.25 1bfi n TYR 75 Cb 0.94 -2.26 -0.12 0.00 -0.31 0.00 0.00 39.34 37.59 1bfi n TYR 75 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1bfi n SER 76 N -1.44 1.98 -3.99 7.72 2.88 -1.26 -5.00 113.62 114.50 1bfi n SER 76 Ca 0.14 0.19 -0.09 0.00 -1.33 0.00 0.00 58.87 57.78 1bfi n SER 76 Cb 0.47 -0.74 -0.11 0.00 -0.75 0.00 0.00 64.21 63.08 1bfi n SER 76 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1bfi s SER 77 N -6.99 0.27 0.17 -3.46 0.15 -1.26 -5.04 113.70 97.54 1bfi s SER 77 Ca -0.32 -0.56 -0.10 0.00 0.70 0.00 0.00 55.95 55.66 1bfi s SER 77 Cb 0.10 0.11 0.06 0.00 -1.71 0.00 0.00 66.02 64.57 1bfi s SER 77 CO 0.60 -0.34 1.63 -0.07 1.20 0.00 0.00 173.24 176.27 1bfi h LEU 78 N 4.47 1.00 -0.68 3.45 3.38 -1.99 -0.26 115.31 124.67 1bfi h LEU 78 Ca -0.32 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.27 1bfi h LEU 78 Cb 1.20 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1bfi h LEU 78 CO 0.44 1.06 0.13 0.11 0.09 0.00 0.00 178.44 180.27 1bfi h LYS 79 N 0.92 1.12 -0.17 1.13 1.57 -1.96 -2.21 116.57 116.97 1bfi h LYS 79 Ca 0.17 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.57 1bfi h LYS 79 Cb 0.54 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1bfi h LYS 79 CO 0.03 1.01 -0.29 0.93 -0.57 0.00 0.00 179.45 180.56 1bfi h GLU 80 N 1.05 0.32 -0.47 3.15 5.08 -1.90 -1.58 114.58 120.22 1bfi h GLU 80 Ca 0.21 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1bfi h GLU 80 Cb 0.42 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1bfi h GLU 80 CO 0.01 0.59 0.29 1.25 -1.00 0.00 0.00 179.01 180.15 1bfi h LEU 81 N 0.28 0.55 -0.45 1.33 7.12 -0.45 0.14 115.31 123.84 1bfi h LEU 81 Ca 0.04 -0.04 -0.07 0.00 0.13 0.00 0.00 57.88 57.94 1bfi h LEU 81 Cb 0.66 -0.14 -0.02 0.00 -0.53 0.00 0.00 40.66 40.64 1bfi h LEU 81 CO 0.05 0.43 0.02 0.58 -0.13 0.00 0.00 178.44 179.39 1bfi h VAL 82 N 0.63 1.26 -0.61 1.05 2.07 -1.10 -2.93 116.25 116.62 1bfi h VAL 82 Ca 0.17 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.68 1bfi h VAL 82 Cb -0.03 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 1bfi h VAL 82 CO -0.03 0.35 0.40 -0.07 0.02 0.00 0.00 177.57 178.23 1bfi h LEU 83 N 0.62 0.71 -0.78 2.57 3.38 -0.81 -2.80 115.31 118.21 1bfi h LEU 83 Ca 0.13 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 1bfi h LEU 83 Cb 0.47 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1bfi h LEU 83 CO 0.02 0.53 0.29 -0.74 0.09 0.00 0.00 178.44 178.63 1bfi h HIS 84 N 0.83 1.21 0.00 1.13 2.76 -0.91 -2.28 115.15 117.89 1bfi h HIS 84 Ca 0.22 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.28 1bfi h HIS 84 Cb -0.08 -0.36 -0.00 0.00 1.55 0.00 0.00 27.41 28.52 1bfi h HIS 84 CO -0.03 0.92 -0.05 1.88 -1.30 0.00 0.00 177.93 179.35 1bfi h TYR 85 N 1.14 0.00 -0.12 5.26 -1.99 -1.31 -1.79 116.97 118.16 1bfi h TYR 85 Ca 0.26 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.88 1bfi h TYR 85 Cb 0.24 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.96 1bfi h TYR 85 CO 0.02 0.05 -0.41 1.96 -0.00 0.00 0.00 178.16 179.79 1bfi h GLN 86 N 0.00 0.26 0.00 4.88 4.20 -1.23 -2.78 115.11 120.44 1bfi h GLN 86 Ca -0.00 -0.12 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1bfi h GLN 86 Cb 0.25 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1bfi h GLN 86 CO 0.01 0.63 -0.78 0.45 -0.67 0.00 0.00 178.83 178.46 1bfi h HIS 87 N 0.22 0.00 -3.41 2.96 3.86 -1.40 -3.39 115.15 113.99 1bfi h HIS 87 Ca 0.02 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.62 1bfi h HIS 87 Cb 0.82 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.15 1bfi h HIS 87 CO 0.02 0.00 -0.51 0.99 0.86 0.00 0.00 177.93 179.29 1bfi s THR 88 N -3.31 5.28 0.21 2.45 2.01 -0.80 -5.07 115.64 116.41 1bfi s THR 88 Ca 0.02 0.15 -0.29 0.00 0.31 0.00 0.00 61.69 61.88 1bfi s THR 88 Cb 0.09 -3.43 -0.09 0.00 0.01 0.00 0.00 72.50 69.09 1bfi s THR 88 CO 0.76 0.40 0.89 -0.94 -0.69 0.00 0.00 174.62 175.04 1bfi s SER 89 N 0.67 7.56 0.37 3.53 1.04 -1.26 -4.64 113.70 120.97 1bfi s SER 89 Ca 0.07 1.85 0.26 0.00 0.48 0.00 0.00 55.95 58.61 1bfi s SER 89 Cb -0.12 -2.57 0.83 0.00 0.10 0.00 0.00 66.02 64.25 1bfi s SER 89 CO 0.01 0.16 1.76 -0.07 0.98 0.00 0.00 173.24 176.09 1bfi h LEU 90 N 4.28 0.00 -0.56 2.42 4.07 -1.31 -3.33 115.31 120.88 1bfi h LEU 90 Ca -0.45 0.00 0.18 0.00 0.08 0.00 0.00 57.88 57.69 1bfi h LEU 90 Cb 1.20 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.84 1bfi h LEU 90 CO 0.68 0.00 0.11 0.55 -1.08 0.00 0.00 178.44 178.70 1bfi n VAL 91 N -2.72 -0.24 0.31 1.22 3.14 1.76 0.44 118.33 122.25 1bfi n VAL 91 Ca 0.03 1.20 0.06 0.00 -2.96 0.00 0.00 64.34 62.67 1bfi n VAL 91 Cb 0.40 -1.82 0.26 0.00 -1.06 0.00 0.00 33.84 31.61 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 -4.55 0.03 -0.07 1.45 10.64 -1.25 0.38 117.38 124.01 1bfi n GLN 92 Ca 0.16 0.38 -0.10 0.00 -1.83 0.00 0.00 57.00 55.60 1bfi n GLN 92 Cb 0.53 -1.58 -0.04 0.00 -0.86 0.00 0.00 30.24 28.30 1bfi n GLN 92 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1bfi h HIS 93 N 0.00 0.37 0.00 2.61 3.86 0.91 -3.34 115.15 119.56 1bfi h HIS 93 Ca 0.00 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1bfi h HIS 93 Cb 0.17 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1bfi h HIS 93 CO 0.00 0.39 -0.47 0.09 0.86 0.00 0.00 177.93 178.80 1bfi n ASN 94 N -4.79 0.20 -1.12 2.45 5.03 -1.05 -4.96 115.26 111.02 1bfi n ASN 94 Ca -0.03 -2.09 -0.15 0.00 0.87 0.00 0.00 54.58 53.19 1bfi n ASN 94 Cb 0.13 -0.22 -0.06 0.00 -1.02 0.00 0.00 39.78 38.61 1bfi n ASN 94 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1bfi n ASP 95 N -0.10 -5.52 0.00 6.41 8.00 1.24 -4.66 116.55 121.92 1bfi n ASP 95 Ca 0.01 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1bfi n ASP 95 Cb 0.70 -4.30 0.00 0.00 -0.02 0.00 0.00 41.12 37.50 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 -1.14 0.00 -3.90 -2.24 7.64 -0.76 -4.91 113.62 108.31 1bfi n SER 96 Ca -0.15 -1.00 -0.42 0.00 1.01 0.00 0.00 58.87 58.31 1bfi n SER 96 Cb 0.61 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.82 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 6.70 -4.56 -3.43 7.99 -1.22 -4.88 117.00 117.60 1bfi n LEU 97 Ca 0.00 -5.10 -0.41 0.00 -0.01 0.00 0.00 56.01 50.49 1bfi n LEU 97 Cb 0.49 -1.31 -0.01 0.00 -0.11 0.00 0.00 43.42 42.48 1bfi n LEU 97 CO 0.00 1.70 1.92 -3.20 -1.51 0.00 0.00 177.39 176.30 1bfi n ASN 98 N 1.68 4.62 -3.49 -1.43 2.85 -1.26 0.48 115.26 118.71 1bfi n ASN 98 Ca 0.34 -2.88 -0.12 0.00 -0.11 0.00 0.00 54.58 51.80 1bfi n ASN 98 Cb 0.32 -1.74 -0.03 0.00 1.24 0.00 0.00 39.78 39.56 1bfi n ASN 98 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1bfi s VAL 99 N 5.28 0.00 0.11 3.44 0.11 -1.26 -4.73 120.40 123.34 1bfi s VAL 99 Ca 0.56 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.66 1bfi s VAL 99 Cb 0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 1bfi s VAL 99 CO 0.09 0.00 -0.13 0.42 -3.33 0.00 0.00 175.10 172.14 1bfi s THR 100 N -2.57 1.20 -1.39 5.04 -4.23 -1.26 -1.89 115.64 110.53 1bfi s THR 100 Ca -0.01 -1.62 -0.14 0.00 -1.18 0.00 0.00 61.69 58.74 1bfi s THR 100 Cb -0.01 -1.41 -0.01 0.00 1.34 0.00 0.00 72.50 72.42 1bfi s THR 100 CO -0.04 -0.41 2.32 0.18 -0.54 0.00 0.00 174.62 176.13 1bfi n LEU 101 N 0.68 6.83 -0.05 4.79 4.77 -1.19 -4.47 117.00 128.36 1bfi n LEU 101 Ca -0.17 -4.00 -0.05 0.00 -0.03 0.00 0.00 56.01 51.77 1bfi n LEU 101 Cb 0.57 -1.56 -0.14 0.00 -2.33 0.00 0.00 43.42 39.95 1bfi n LEU 101 CO 0.26 1.10 -0.83 0.00 -1.33 0.00 0.00 177.39 176.59 1bfi n ALA 102 N 5.74 1.78 -3.09 -1.18 0.00 -1.24 -4.00 120.51 118.52 1bfi n ALA 102 Ca 0.56 -0.97 -0.32 0.00 0.00 0.00 0.00 53.44 52.71 1bfi n ALA 102 Cb 0.35 -0.53 -0.16 0.00 0.00 0.00 0.00 19.45 19.12 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 -2.75 2.65 0.56 0.00 2.02 -1.06 -5.05 117.35 113.73 1bfi s TYR 103 Ca -0.07 -0.83 -0.17 0.00 -0.37 0.00 0.00 57.07 55.63 1bfi s TYR 103 Cb 0.08 -1.75 -0.05 0.00 -0.40 0.00 0.00 41.96 39.84 1bfi s TYR 103 CO 0.84 -0.30 1.05 -1.25 -1.57 0.00 0.00 175.55 174.32 1bfi s PRO 104 N 0.26 3.46 0.17 -1.71 0.04 -1.26 -0.96 135.00 135.01 1bfi s PRO 104 Ca -0.13 1.24 0.06 0.00 0.04 0.00 0.00 61.00 62.21 1bfi s PRO 104 Cb -0.17 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.33 1bfi s PRO 104 CO 0.07 -0.70 1.40 -0.24 0.04 0.00 0.00 177.00 177.57 1bfi h VAL 105 N 0.75 1.57 -1.92 -0.36 3.04 -0.33 -3.30 116.25 115.71 1bfi h VAL 105 Ca -0.48 -2.82 -0.65 0.00 -1.01 0.00 0.00 66.70 61.74 1bfi h VAL 105 Cb 1.22 2.55 -0.37 0.00 -2.01 0.00 0.00 31.29 32.67 1bfi h VAL 105 CO 0.58 0.81 -0.13 -1.22 -1.01 0.00 0.00 177.57 176.60 1bfi n TYR 106 N -3.57 3.43 -1.88 3.17 4.01 0.45 -5.02 117.16 117.75 1bfi n TYR 106 Ca -0.02 -3.14 -0.41 0.00 -0.16 0.00 0.00 57.90 54.17 1bfi n TYR 106 Cb 0.81 -0.55 -0.01 0.00 -0.31 0.00 0.00 39.34 39.28 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 -3.73 3.65 -1.60 -0.72 0.00 -1.24 -4.25 121.76 113.87 1bfi s ALA 107 Ca 0.48 1.47 0.31 0.00 0.00 0.00 0.00 51.96 54.22 1bfi s ALA 107 Cb 0.35 -3.60 1.61 0.00 0.00 0.00 0.00 23.12 21.48 1bfi s ALA 107 CO -0.21 -0.90 2.09 1.04 0.00 0.00 0.00 175.76 177.78 1bfi n GLN 108 N 1.66 0.60 -2.40 0.00 1.13 -1.26 -4.82 117.38 112.31 1bfi n GLN 108 Ca 0.05 -0.02 -0.39 0.00 -1.94 0.00 0.00 57.00 54.71 1bfi n GLN 108 Cb 0.39 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.21 1bfi n GLN 108 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1bfi s GLN 109 N -2.41 4.27 -1.21 -1.09 -0.21 -1.26 -3.36 119.66 114.39 1bfi s GLN 109 Ca 0.34 1.77 -0.00 0.00 0.02 0.00 0.00 55.36 57.49 1bfi s GLN 109 Cb 0.21 -2.82 0.00 0.00 1.00 0.00 0.00 33.01 31.40 1bfi s GLN 109 CO 0.44 -0.11 0.97 0.54 -2.12 0.00 0.00 175.29 175.01 1bfi n ARG 110 N 0.41 -6.48 0.00 2.91 5.12 -1.26 -5.18 116.66 112.18 1bfi n ARG 110 Ca 0.03 0.83 0.12 0.00 -1.93 0.00 0.00 57.85 56.90 1bfi n ARG 110 Cb 0.46 -5.80 0.17 0.00 -1.16 0.00 0.00 32.46 26.13 1bfi n ARG 110 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57