#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 7.11 -0.21 -1.84 -1.08 -1.26 -5.03 116.67 114.37 1bfi s ASP 2 Ca 0.00 1.36 -0.11 0.00 -0.52 0.00 0.00 52.55 53.29 1bfi s ASP 2 Cb 0.00 -2.51 -0.05 0.00 -1.46 0.00 0.00 42.92 38.91 1bfi s ASP 2 CO 0.00 -0.41 0.17 -0.22 0.52 0.00 0.00 175.17 175.23 1bfi s LEU 3 N 2.02 4.18 0.66 -1.34 2.96 -1.26 -4.95 118.68 120.96 1bfi s LEU 3 Ca 0.44 0.24 0.19 0.00 -0.22 0.00 0.00 54.13 54.78 1bfi s LEU 3 Cb -0.17 -2.15 1.06 0.00 0.50 0.00 0.00 46.19 45.43 1bfi s LEU 3 CO 0.15 0.13 1.60 -0.65 -1.32 0.00 0.00 176.35 176.26 1bfi h PRO 4 N 6.94 0.00 0.00 0.98 0.11 -1.95 0.12 132.00 138.20 1bfi h PRO 4 Ca -0.40 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 1bfi h PRO 4 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1bfi h PRO 4 CO 0.73 0.00 -0.22 0.45 -0.21 0.00 0.00 178.00 178.75 1bfi h HIS 5 N 0.00 0.00 -0.73 0.65 3.86 -1.95 -2.85 115.15 114.12 1bfi h HIS 5 Ca 0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.16 1bfi h HIS 5 Cb 1.13 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.57 1bfi h HIS 5 CO 0.00 0.22 0.27 0.45 0.86 0.00 0.00 177.93 179.73 1bfi h HIS 6 N 0.00 1.13 -3.36 2.45 3.86 -1.16 -3.41 115.15 114.66 1bfi h HIS 6 Ca -0.00 -0.09 -0.58 0.00 -1.16 0.00 0.00 60.37 58.53 1bfi h HIS 6 Cb 0.54 -0.33 -0.09 0.00 1.06 0.00 0.00 27.41 28.58 1bfi h HIS 6 CO 0.00 0.87 -0.18 -0.51 0.86 0.00 0.00 177.93 178.97 1bfi s ASP 7 N -6.42 6.58 0.45 2.45 1.01 -1.08 -4.95 116.67 114.71 1bfi s ASP 7 Ca -0.12 0.69 0.21 0.00 0.71 0.00 0.00 52.55 54.04 1bfi s ASP 7 Cb 0.16 -2.26 1.09 0.00 1.01 0.00 0.00 42.92 42.93 1bfi s ASP 7 CO 0.83 -0.01 1.94 -0.33 0.21 0.00 0.00 175.17 177.81 1bfi h GLU 8 N 6.89 0.00 -0.57 8.23 5.08 -1.83 -2.91 114.58 129.47 1bfi h GLU 8 Ca -0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 1bfi h GLU 8 Cb 1.17 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 1bfi h GLU 8 CO 0.75 0.22 0.32 1.57 -1.00 0.00 0.00 179.01 180.88 1bfi h LYS 9 N 0.00 0.77 -0.31 2.33 2.10 -1.91 5.75 116.57 125.29 1bfi h LYS 9 Ca -0.00 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1bfi h LYS 9 Cb 0.52 -0.16 -0.02 0.00 -0.90 0.00 0.00 32.23 31.67 1bfi h LYS 9 CO 0.03 0.55 0.19 1.79 -2.00 0.00 0.00 179.45 180.02 1bfi h THR 10 N 0.78 1.09 0.00 0.07 1.35 -1.76 -3.29 112.91 111.16 1bfi h THR 10 Ca 0.20 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1bfi h THR 10 Cb -0.00 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.06 1bfi h THR 10 CO -0.04 0.09 -0.87 -2.67 -0.25 0.00 0.00 175.52 171.79 1bfi n TRP 11 N -4.48 0.00 -3.20 4.73 4.27 -0.82 0.10 117.44 118.04 1bfi n TRP 11 Ca 0.02 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.22 1bfi n TRP 11 Cb 0.08 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 29.95 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 -1.82 6.45 0.00 -0.67 2.47 1.86 0.28 114.94 123.52 1bfi s ASN 12 Ca 0.00 0.49 0.23 0.00 0.42 0.00 0.00 52.86 54.00 1bfi s ASN 12 Cb 0.00 -2.29 0.08 0.00 -1.45 0.00 0.00 41.25 37.59 1bfi s ASN 12 CO 0.00 -0.34 1.15 0.55 -3.72 0.00 0.00 177.10 174.74 1bfi n VAL 13 N 5.22 0.00 -4.31 -5.21 3.14 -0.80 -4.31 118.33 112.07 1bfi n VAL 13 Ca -0.03 -0.26 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 1bfi n VAL 13 Cb 0.49 1.18 0.00 0.00 -1.06 0.00 0.00 33.84 34.46 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 1.41 0.91 3.66 7.55 0.00 -1.25 -4.62 105.19 112.85 1bfi n GLY 14 Ca 0.10 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 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 7.00 0.01 1.61 0.01 -1.26 -4.17 113.70 112.90 1bfi s SER 15 Ca 0.00 1.24 -0.02 0.00 1.31 0.00 0.00 55.95 58.48 1bfi s SER 15 Cb 0.00 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 1bfi s SER 15 CO 0.00 -0.55 0.02 -0.55 0.41 0.00 0.00 173.24 172.57 1bfi s SER 16 N 1.23 0.14 0.16 2.44 0.15 -1.26 -5.11 113.70 111.44 1bfi s SER 16 Ca 0.40 -0.33 -0.30 0.00 0.70 0.00 0.00 55.95 56.42 1bfi s SER 16 Cb -0.16 0.12 -0.07 0.00 -1.71 0.00 0.00 66.02 64.20 1bfi s SER 16 CO 0.09 -0.26 1.16 0.21 1.20 0.00 0.00 173.24 175.63 1bfi s ASN 17 N -1.17 7.16 0.44 5.45 3.04 -1.26 -4.90 114.94 123.70 1bfi s ASN 17 Ca -0.13 2.13 0.10 0.00 0.04 0.00 0.00 52.86 55.00 1bfi s ASN 17 Cb -0.08 -2.60 0.98 0.00 -1.54 0.00 0.00 41.25 38.02 1bfi s ASN 17 CO -0.00 -0.33 2.07 0.03 -3.04 0.00 0.00 177.10 175.82 1bfi h ARG 18 N 5.51 0.39 -0.38 0.43 3.08 -2.00 -1.29 114.38 120.13 1bfi h ARG 18 Ca -0.44 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 59.60 1bfi h ARG 18 Cb 1.21 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.15 1bfi h ARG 18 CO 0.75 0.26 0.24 -2.95 -1.07 0.00 0.00 179.97 177.20 1bfi h ASN 19 N 0.41 0.42 -0.70 7.04 -1.07 -2.00 0.24 115.58 119.91 1bfi h ASN 19 Ca 0.14 -0.01 -0.07 0.00 0.07 0.00 0.00 56.30 56.43 1bfi h ASN 19 Cb 0.06 -0.10 -0.03 0.00 -2.07 0.00 0.00 38.32 36.18 1bfi h ASN 19 CO -0.03 0.30 0.16 0.50 0.07 0.00 0.00 177.43 178.43 1bfi h LYS 20 N 0.50 1.12 -0.68 4.14 3.64 -1.68 -2.30 116.57 121.32 1bfi h LYS 20 Ca 0.14 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1bfi h LYS 20 Cb -0.04 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.60 1bfi h LYS 20 CO -0.04 0.99 0.44 0.00 -2.27 0.00 0.00 179.45 178.57 1bfi h ALA 21 N 1.10 1.50 -0.97 5.00 0.00 -0.55 -0.64 119.26 124.71 1bfi h ALA 21 Ca 0.22 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.14 1bfi h ALA 21 Cb 0.38 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 1bfi h ALA 21 CO 0.00 0.46 0.62 0.93 0.00 0.00 0.00 179.25 181.26 1bfi h GLU 22 N 0.92 1.09 -0.53 0.00 5.08 -0.38 0.57 114.58 121.33 1bfi h GLU 22 Ca 0.25 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1bfi h GLU 22 Cb -0.09 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 28.89 1bfi h GLU 22 CO -0.05 0.72 0.35 -0.91 -1.00 0.00 0.00 179.01 178.12 1bfi h ASN 23 N 1.12 0.61 0.14 1.42 2.35 -1.02 1.08 115.58 121.29 1bfi h ASN 23 Ca 0.42 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 56.08 1bfi h ASN 23 Cb 0.17 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1bfi h ASN 23 CO -0.17 0.45 -0.25 -0.07 -1.65 0.00 0.00 177.43 175.74 1bfi h LEU 24 N 0.72 0.19 -0.64 1.61 3.38 -0.44 -1.89 115.31 118.24 1bfi h LEU 24 Ca 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1bfi h LEU 24 Cb -0.07 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1bfi h LEU 24 CO -0.04 0.45 -0.23 0.18 0.09 0.00 0.00 178.44 178.89 1bfi n LEU 25 N -4.17 1.23 -4.68 1.67 4.77 0.18 -4.50 117.00 111.50 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 0.35 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1bfi n LEU 25 CO 0.39 0.22 0.23 -0.60 -1.33 0.00 0.00 177.39 176.31 1bfi s ARG 26 N -2.41 4.23 -0.94 3.23 6.06 0.36 -3.81 118.95 125.66 1bfi s ARG 26 Ca 0.26 0.43 0.00 0.00 -2.50 0.00 0.00 55.73 53.92 1bfi s ARG 26 Cb 0.19 -3.53 0.00 0.00 0.06 0.00 0.00 34.95 31.67 1bfi s ARG 26 CO 0.49 -0.08 0.00 0.41 -2.50 0.00 0.00 175.30 173.62 1bfi n GLY 27 N 3.74 0.55 3.69 8.12 0.00 -1.26 -4.91 105.19 115.12 1bfi n GLY 27 Ca -0.05 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 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 -3.66 3.00 0.50 1.61 2.47 -1.25 -5.09 119.74 117.32 1bfi s LYS 28 Ca 0.00 -0.40 -0.21 0.00 -1.56 0.00 0.00 55.97 53.81 1bfi s LYS 28 Cb 0.00 -2.81 -0.07 0.00 -1.46 0.00 0.00 37.83 33.49 1bfi s LYS 28 CO 0.00 0.71 1.11 1.03 0.16 0.00 0.00 175.35 178.35 1bfi s ARG 29 N -0.89 3.60 0.48 4.03 0.52 -1.26 -4.91 118.95 120.52 1bfi s ARG 29 Ca 0.13 1.57 -0.24 0.00 -0.52 0.00 0.00 55.73 56.68 1bfi s ARG 29 Cb -0.11 -2.14 -0.07 0.00 0.52 0.00 0.00 34.95 33.15 1bfi s ARG 29 CO 0.02 -0.64 1.34 -3.47 0.02 0.00 0.00 175.30 172.57 1bfi n ASP 30 N -0.99 2.78 0.00 0.23 -0.08 -1.26 -2.70 116.55 114.52 1bfi n ASP 30 Ca 0.10 1.05 0.00 0.00 -1.51 0.00 0.00 54.79 54.43 1bfi n ASP 30 Cb 0.51 -1.56 0.00 0.00 2.34 0.00 0.00 41.12 42.41 1bfi n ASP 30 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bfi n GLY 31 N 0.74 2.81 3.68 0.27 0.00 -1.00 -4.94 105.19 106.75 1bfi n GLY 31 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.65 4.82 0.12 2.61 2.01 -1.10 -2.47 115.64 118.98 1bfi s THR 32 Ca 0.00 1.90 -0.01 0.00 0.31 0.00 0.00 61.69 63.89 1bfi s THR 32 Cb 0.00 -4.25 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 1bfi s THR 32 CO 0.00 0.01 0.05 0.72 -0.69 0.00 0.00 174.62 174.71 1bfi s PHE 33 N 2.05 0.83 0.07 4.92 -0.71 -0.37 -2.34 117.98 122.43 1bfi s PHE 33 Ca 0.45 -1.22 0.01 0.00 -1.04 0.00 0.00 56.93 55.13 1bfi s PHE 33 Cb -0.18 -0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 41.13 1bfi s PHE 33 CO 0.16 -0.51 -0.06 -0.48 -1.34 0.00 0.00 175.22 172.99 1bfi s LEU 34 N -3.04 2.43 -0.11 -1.99 2.34 0.13 -1.49 118.68 116.95 1bfi s LEU 34 Ca 0.23 -0.86 -0.01 0.00 0.06 0.00 0.00 54.13 53.54 1bfi s LEU 34 Cb 0.07 -0.01 -0.03 0.00 -0.56 0.00 0.00 46.19 45.67 1bfi s LEU 34 CO 0.01 -0.43 -0.07 -0.69 -1.06 0.00 0.00 176.35 174.11 1bfi s VAL 35 N -3.02 3.68 0.41 1.48 1.01 0.81 0.62 120.40 125.39 1bfi s VAL 35 Ca 0.03 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1bfi s VAL 35 Cb 0.01 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1bfi s VAL 35 CO -0.05 0.55 0.14 0.54 0.00 0.00 0.00 175.10 176.28 1bfi n ARG 36 N 2.95 0.58 -3.45 2.72 1.74 0.12 -1.90 116.66 119.42 1bfi n ARG 36 Ca -0.18 -3.45 -0.21 0.00 -0.77 0.00 0.00 57.85 53.25 1bfi n ARG 36 Cb 0.53 1.85 -0.01 0.00 -1.02 0.00 0.00 32.46 33.82 1bfi n ARG 36 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1bfi s GLU 37 N -3.56 2.49 0.00 5.56 -1.05 -1.26 -0.38 118.70 120.50 1bfi s GLU 37 Ca 0.20 -1.60 0.00 0.00 -0.15 0.00 0.00 54.97 53.42 1bfi s GLU 37 Cb 0.01 -2.43 0.00 0.00 -0.44 0.00 0.00 34.13 31.27 1bfi s GLU 37 CO 0.14 -0.40 0.54 0.43 0.95 0.00 0.00 175.26 176.93 1bfi n SER 38 N -1.75 0.77 -1.62 0.83 7.64 0.10 -4.67 113.62 114.91 1bfi n SER 38 Ca 0.05 -1.85 0.00 0.00 1.01 0.00 0.00 58.87 58.08 1bfi n SER 38 Cb 0.62 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 -0.05 -8.76 -2.93 6.43 2.88 -1.26 -4.70 113.62 105.23 1bfi n SER 39 Ca 0.00 1.44 -0.22 0.00 -1.33 0.00 0.00 58.87 58.75 1bfi n SER 39 Cb 0.19 -5.02 0.03 0.00 -0.75 0.00 0.00 64.21 58.66 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 -1.32 -4.29 -1.59 -1.46 5.02 -1.26 -4.55 118.16 108.70 1bfi n LYS 40 Ca 0.00 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1bfi n LYS 40 Cb 0.12 -5.73 0.00 0.00 -0.02 0.00 0.00 35.03 29.40 1bfi n LYS 40 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1bfi n GLN 41 N -3.85 -4.06 0.00 1.97 7.27 -1.26 -5.00 117.38 112.45 1bfi n GLN 41 Ca -0.13 3.13 0.00 0.00 0.07 0.00 0.00 57.00 60.06 1bfi n GLN 41 Cb 0.63 -3.88 0.00 0.00 2.41 0.00 0.00 30.24 29.40 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 -2.31 0.85 0.97 1.69 0.00 -1.26 -4.82 105.19 100.31 1bfi n GLY 42 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.27 2.44 -0.11 0.00 1.51 -1.10 0.02 117.35 113.84 1bfi s TYR 44 Ca 0.05 -0.29 -0.07 0.00 -1.01 0.00 0.00 57.07 55.76 1bfi s TYR 44 Cb -0.01 -1.10 0.04 0.00 -0.11 0.00 0.00 41.96 40.78 1bfi s TYR 44 CO 0.04 0.64 0.26 0.00 -1.11 0.00 0.00 175.55 175.39 1bfi s ALA 45 N -2.27 -0.63 -0.30 3.71 0.00 0.49 0.81 121.76 123.58 1bfi s ALA 45 Ca 0.29 0.97 -0.10 0.00 0.00 0.00 0.00 51.96 53.11 1bfi s ALA 45 Cb -0.06 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 1bfi s ALA 45 CO 0.16 -0.18 0.16 0.00 0.00 0.00 0.00 175.76 175.90 1bfi s SER 47 N 1.68 6.23 0.28 0.00 0.01 0.20 -1.44 113.70 120.65 1bfi s SER 47 Ca 0.06 0.25 0.05 0.00 1.31 0.00 0.00 55.95 57.62 1bfi s SER 47 Cb -0.16 -2.13 -0.06 0.00 0.21 0.00 0.00 66.02 63.88 1bfi s SER 47 CO 0.08 0.09 -0.01 0.54 0.41 0.00 0.00 173.24 174.35 1bfi s VAL 48 N 0.79 1.35 -0.09 3.43 0.11 -0.93 0.18 120.40 125.24 1bfi s VAL 48 Ca 0.10 -2.06 -0.02 0.00 -2.93 0.00 0.00 61.98 57.08 1bfi s VAL 48 Cb -0.13 -2.51 -0.03 0.00 -1.53 0.00 0.00 36.38 32.18 1bfi s VAL 48 CO 0.03 -0.23 -0.02 -0.69 -3.33 0.00 0.00 175.10 170.86 1bfi s VAL 49 N -3.20 4.09 0.08 2.04 1.01 -0.99 -2.05 120.40 121.38 1bfi s VAL 49 Ca 0.31 -0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1bfi s VAL 49 Cb 0.06 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1bfi s VAL 49 CO 0.12 0.58 -0.13 -0.69 0.00 0.00 0.00 175.10 174.98 1bfi s VAL 50 N -0.64 3.14 -0.18 2.92 1.01 0.23 -2.36 120.40 124.53 1bfi s VAL 50 Ca 0.10 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 60.89 1bfi s VAL 50 Cb -0.12 -2.42 0.07 0.00 0.00 0.00 0.00 36.38 33.91 1bfi s VAL 50 CO 0.02 0.19 1.05 -0.67 0.00 0.00 0.00 175.10 175.69 1bfi n ASP 51 N 1.00 0.18 -0.11 3.32 -0.08 -1.26 -1.22 116.55 118.37 1bfi n ASP 51 Ca -0.15 0.42 -0.24 0.00 -1.51 0.00 0.00 54.79 53.32 1bfi n ASP 51 Cb 0.52 -0.38 -0.08 0.00 2.34 0.00 0.00 41.12 43.53 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 -1.27 -0.39 2.83 0.27 0.00 -1.26 -5.03 105.19 100.34 1bfi n GLY 52 Ca -0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 1bfi n GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bfi n GLU 53 N -4.09 0.84 -3.42 1.61 -0.58 -0.36 -5.14 120.64 109.50 1bfi n GLU 53 Ca -0.43 -1.65 -0.37 0.00 -0.42 0.00 0.00 57.16 54.28 1bfi n GLU 53 Cb 0.79 2.07 -0.07 0.00 -0.57 0.00 0.00 31.44 33.66 1bfi n GLU 53 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1bfi s VAL 54 N -2.32 5.23 0.07 2.62 0.11 -1.26 0.77 120.40 125.62 1bfi s VAL 54 Ca 0.12 0.73 0.06 0.00 -2.93 0.00 0.00 61.98 59.96 1bfi s VAL 54 Cb -0.04 -3.72 -0.03 0.00 -1.53 0.00 0.00 36.38 31.06 1bfi s VAL 54 CO 0.09 0.32 -0.16 -0.54 -3.33 0.00 0.00 175.10 171.48 1bfi s LYS 55 N 0.83 0.95 -0.54 1.54 3.01 -0.87 -4.95 119.74 119.71 1bfi s LYS 55 Ca 0.20 -0.95 -0.11 0.00 -1.01 0.00 0.00 55.97 54.10 1bfi s LYS 55 Cb -0.14 -1.02 0.14 0.00 -1.01 0.00 0.00 37.83 35.79 1bfi s LYS 55 CO 0.07 0.24 0.44 -1.01 0.51 0.00 0.00 175.35 175.60 1bfi s HIS 56 N -1.12 3.42 0.29 3.18 3.76 -1.26 -2.18 115.29 121.38 1bfi s HIS 56 Ca 0.01 -1.79 -0.23 0.00 -0.15 0.00 0.00 55.06 52.91 1bfi s HIS 56 Cb -0.09 -3.60 -0.09 0.00 1.11 0.00 0.00 32.58 29.90 1bfi s HIS 56 CO 0.02 -0.99 0.84 0.00 -0.85 0.00 0.00 174.74 173.77 1bfi s VAL 58 N -1.64 4.28 -0.19 0.00 0.11 -1.26 -0.99 120.40 120.71 1bfi s VAL 58 Ca 0.48 -0.26 -0.06 0.00 -2.93 0.00 0.00 61.98 59.22 1bfi s VAL 58 Cb -0.17 -2.80 -0.03 0.00 -1.53 0.00 0.00 36.38 31.86 1bfi s VAL 58 CO 0.21 0.60 0.02 -0.63 -3.33 0.00 0.00 175.10 171.97 1bfi s ILE 59 N -0.86 4.20 -0.16 7.04 -1.09 0.24 -4.78 121.20 125.78 1bfi s ILE 59 Ca 0.13 -0.24 -0.01 0.00 -2.23 0.00 0.00 60.65 58.31 1bfi s ILE 59 Cb -0.11 -2.89 -0.01 0.00 -1.58 0.00 0.00 42.46 37.87 1bfi s ILE 59 CO 0.02 0.44 -0.12 0.20 -1.23 0.00 0.00 174.94 174.25 1bfi s ASN 60 N 0.75 3.88 -0.21 3.58 0.02 -0.97 -2.72 114.94 119.27 1bfi s ASN 60 Ca 0.01 -0.42 -0.05 0.00 -1.02 0.00 0.00 52.86 51.38 1bfi s ASN 60 Cb -0.14 -1.61 -0.02 0.00 0.02 0.00 0.00 41.25 39.50 1bfi s ASN 60 CO 0.02 0.08 -0.01 -0.75 0.02 0.00 0.00 177.10 176.47 1bfi s LYS 61 N 0.85 3.54 0.16 -0.60 2.20 -1.26 0.24 119.74 124.88 1bfi s LYS 61 Ca -0.04 -0.55 -0.01 0.00 -0.36 0.00 0.00 55.97 55.01 1bfi s LYS 61 Cb -0.15 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 1bfi s LYS 61 CO 0.00 -0.08 0.10 0.95 -0.36 0.00 0.00 175.35 175.96 1bfi s THR 62 N 1.22 0.05 0.53 3.43 -4.23 -0.88 -4.84 115.64 110.93 1bfi s THR 62 Ca 0.03 -1.94 0.00 0.00 -1.18 0.00 0.00 61.69 58.60 1bfi s THR 62 Cb -0.15 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1bfi s THR 62 CO 0.01 -0.25 0.91 0.00 -0.54 0.00 0.00 174.62 174.74 1bfi h ALA 63 N 2.75 1.80 -0.15 3.99 0.00 -2.06 0.25 119.26 125.83 1bfi h ALA 63 Ca -0.35 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.36 1bfi h ALA 63 Cb 1.22 0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.78 1bfi h ALA 63 CO 0.56 -0.80 -0.55 2.41 0.00 0.00 0.00 179.25 180.87 1bfi n THR 64 N -2.21 0.41 -4.11 0.00 -1.04 -1.26 -5.13 114.28 100.94 1bfi n THR 64 Ca -0.00 -1.66 -0.11 0.00 -2.04 0.00 0.00 64.05 60.25 1bfi n THR 64 Cb 0.90 1.09 -0.08 0.00 -1.82 0.00 0.00 70.33 70.41 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 -1.99 1.03 0.00 3.41 0.00 0.86 -4.91 107.32 105.73 1bfi s GLY 65 Ca 0.16 -1.35 0.00 0.00 0.00 0.00 0.00 44.72 43.53 1bfi s GLY 65 CO -0.10 -1.10 0.00 -1.72 0.00 0.00 0.00 173.10 170.19 1bfi n TYR 66 N -0.29 0.00 0.00 1.90 4.01 0.67 -2.08 117.16 121.37 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 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 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 -1.42 3.77 2.72 0.00 -0.73 -2.30 105.19 107.24 1bfi n GLY 67 Ca 0.00 0.49 -0.36 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 1.61 0.08 -1.26 -4.77 117.98 117.01 1bfi s PHE 68 Ca 0.00 0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.39 1bfi s PHE 68 Cb 0.00 -1.88 0.00 0.00 -0.57 0.00 0.00 43.02 40.57 1bfi s PHE 68 CO 0.00 0.57 0.71 0.00 -0.10 0.00 0.00 175.22 176.40 1bfi n ALA 69 N 2.18 1.64 -0.05 5.36 0.00 -1.24 -4.16 120.51 124.24 1bfi n ALA 69 Ca -0.19 -0.71 -0.03 0.00 0.00 0.00 0.00 53.44 52.52 1bfi n ALA 69 Cb 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.25 1.34 -0.07 0.00 4.71 -1.26 -3.76 120.64 121.35 1bfi n GLU 70 Ca 0.00 -0.05 -0.06 0.00 -0.01 0.00 0.00 57.16 57.05 1bfi n GLU 70 Cb 0.28 -1.36 -0.02 0.00 -1.01 0.00 0.00 31.44 29.33 1bfi n GLU 70 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 1bfi h PRO 71 N 0.00 0.00 -0.06 3.49 0.13 -2.02 -3.41 132.00 130.13 1bfi h PRO 71 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1bfi h PRO 71 Cb 1.51 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.64 1bfi h PRO 71 CO 0.01 0.09 0.00 0.66 -0.23 0.00 0.00 178.00 178.53 1bfi n TYR 72 N -4.62 0.16 0.00 1.56 4.02 -1.26 -5.08 117.16 111.94 1bfi n TYR 72 Ca -0.09 -0.79 0.00 0.00 -0.01 0.00 0.00 57.90 57.02 1bfi n TYR 72 Cb 0.28 -0.13 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 1bfi n TYR 72 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1bfi n ASN 73 N -0.87 0.00 -4.38 7.72 4.13 -1.25 -4.23 115.26 116.38 1bfi n ASN 73 Ca 0.11 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.95 1bfi n ASN 73 Cb 0.53 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.68 1bfi n ASN 73 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1bfi s LEU 74 N 0.00 5.20 0.44 3.41 2.01 -1.26 -3.62 118.68 124.86 1bfi s LEU 74 Ca 0.00 -1.17 -0.23 0.00 0.01 0.00 0.00 54.13 52.74 1bfi s LEU 74 Cb 0.00 -2.11 -0.11 0.00 0.01 0.00 0.00 46.19 43.98 1bfi s LEU 74 CO 0.00 -0.52 0.82 -1.22 1.01 0.00 0.00 176.35 176.44 1bfi n TYR 75 N 5.10 0.47 -0.23 0.29 4.01 -1.26 -4.87 117.16 120.67 1bfi n TYR 75 Ca -0.12 0.57 -0.06 0.00 -0.16 0.00 0.00 57.90 58.14 1bfi n TYR 75 Cb 0.45 -2.12 0.05 0.00 -0.31 0.00 0.00 39.34 37.40 1bfi n TYR 75 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1bfi h SER 76 N 1.14 0.76 -5.22 7.72 0.02 -1.96 -3.46 113.55 112.54 1bfi h SER 76 Ca -0.43 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.44 1bfi h SER 76 Cb 1.37 -0.19 -0.09 0.00 0.14 0.00 0.00 62.40 63.62 1bfi h SER 76 CO 0.54 0.56 -0.11 -0.94 -1.14 0.00 0.00 176.83 175.74 1bfi s SER 77 N -5.81 -0.10 0.21 3.07 1.04 -1.26 -5.04 113.70 105.81 1bfi s SER 77 Ca -0.13 -0.88 -0.03 0.00 0.48 0.00 0.00 55.95 55.39 1bfi s SER 77 Cb 0.14 0.58 0.18 0.00 0.10 0.00 0.00 66.02 67.02 1bfi s SER 77 CO 0.77 -1.12 1.59 0.25 0.98 0.00 0.00 173.24 175.70 1bfi h LEU 78 N 2.26 0.69 -0.92 2.42 6.46 -2.00 -2.06 115.31 122.17 1bfi h LEU 78 Ca -0.26 -0.29 0.01 0.00 -0.12 0.00 0.00 57.88 57.21 1bfi h LEU 78 Cb 1.25 -0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.94 1bfi h LEU 78 CO 0.36 0.98 0.61 0.11 -0.62 0.00 0.00 178.44 179.88 1bfi h LYS 79 N 0.55 1.21 -0.05 1.25 1.57 -1.96 -0.05 116.57 119.09 1bfi h LYS 79 Ca 0.06 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1bfi h LYS 79 Cb 0.87 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1bfi h LYS 79 CO 0.08 0.80 -0.38 1.49 -0.57 0.00 0.00 179.45 180.86 1bfi h GLU 80 N 1.25 0.11 -0.43 3.15 4.81 -1.91 -2.25 114.58 119.30 1bfi h GLU 80 Ca 0.34 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.53 1bfi h GLU 80 Cb -0.15 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1bfi h GLU 80 CO -0.07 0.48 0.28 1.25 -0.73 0.00 0.00 179.01 180.22 1bfi h LEU 81 N 0.10 0.48 -0.35 1.64 7.12 -0.30 2.33 115.31 126.33 1bfi h LEU 81 Ca 0.01 -0.01 -0.04 0.00 0.13 0.00 0.00 57.88 57.97 1bfi h LEU 81 Cb 0.73 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.73 1bfi h LEU 81 CO 0.05 0.35 0.06 0.58 -0.13 0.00 0.00 178.44 179.35 1bfi h VAL 82 N 0.57 1.23 -0.33 1.05 2.07 -1.09 -1.22 116.25 118.53 1bfi h VAL 82 Ca 0.16 -0.81 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 1bfi h VAL 82 Cb -0.05 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1bfi h VAL 82 CO -0.05 0.27 -0.17 -0.07 0.02 0.00 0.00 177.57 177.57 1bfi h LEU 83 N 0.41 0.72 -0.70 2.57 3.38 -0.85 -2.52 115.31 118.31 1bfi h LEU 83 Ca 0.11 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 1bfi h LEU 83 Cb 0.34 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1bfi h LEU 83 CO 0.01 0.97 0.43 -0.74 0.09 0.00 0.00 178.44 179.20 1bfi h HIS 84 N 0.47 0.92 0.00 1.13 2.76 0.40 -1.60 115.15 119.23 1bfi h HIS 84 Ca 0.07 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.20 1bfi h HIS 84 Cb 0.71 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.36 1bfi h HIS 84 CO 0.06 0.61 -0.23 1.88 -1.30 0.00 0.00 177.93 178.96 1bfi h TYR 85 N 0.96 0.00 -0.41 5.26 -1.99 -1.18 -1.98 116.97 117.62 1bfi h TYR 85 Ca 0.25 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.96 1bfi h TYR 85 Cb -0.05 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.66 1bfi h TYR 85 CO -0.01 0.23 0.16 0.37 -0.00 0.00 0.00 178.16 178.90 1bfi h GLN 86 N 0.00 0.59 0.00 4.88 -0.00 -0.83 -2.73 115.11 117.02 1bfi h GLN 86 Ca -0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.57 1bfi h GLN 86 Cb 0.62 -0.11 0.00 0.00 0.00 0.00 0.00 27.48 27.99 1bfi h GLN 86 CO 0.03 0.49 -1.41 0.72 0.00 0.00 0.00 178.83 178.66 1bfi n HIS 87 N -4.37 0.42 -3.97 3.99 8.25 -0.98 -4.52 115.22 114.03 1bfi n HIS 87 Ca 0.03 0.12 -0.35 0.00 -0.26 0.00 0.00 57.72 57.26 1bfi n HIS 87 Cb 0.15 -0.65 -0.09 0.00 1.12 0.00 0.00 29.99 30.52 1bfi n HIS 87 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1bfi s THR 88 N -3.39 4.99 0.14 1.59 -4.23 -0.78 -5.07 115.64 108.89 1bfi s THR 88 Ca -0.03 0.03 -0.30 0.00 -1.18 0.00 0.00 61.69 60.21 1bfi s THR 88 Cb 0.12 -3.22 -0.07 0.00 1.34 0.00 0.00 72.50 70.67 1bfi s THR 88 CO 0.84 0.50 1.16 -0.55 -0.54 0.00 0.00 174.62 176.04 1bfi s SER 89 N -0.05 7.14 0.48 3.99 0.15 -1.26 -4.67 113.70 119.48 1bfi s SER 89 Ca 0.07 2.11 0.17 0.00 0.70 0.00 0.00 55.95 59.00 1bfi s SER 89 Cb -0.12 -2.60 1.17 0.00 -1.71 0.00 0.00 66.02 62.76 1bfi s SER 89 CO 0.01 -0.36 2.06 -0.07 1.20 0.00 0.00 173.24 176.08 1bfi h LEU 90 N 5.75 0.00 0.00 3.45 4.07 -0.90 -3.38 115.31 124.30 1bfi h LEU 90 Ca -0.43 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.53 1bfi h LEU 90 Cb 1.21 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.95 1bfi h LEU 90 CO 0.76 0.12 0.00 0.55 -1.08 0.00 0.00 178.44 178.79 1bfi n VAL 91 N -4.29 0.00 0.00 1.22 3.14 1.94 -4.60 118.33 115.74 1bfi n VAL 91 Ca -0.03 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.35 1bfi n VAL 91 Cb 0.19 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.97 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 0.00 0.00 -0.67 1.45 10.64 -1.26 -2.99 117.38 124.55 1bfi n GLN 92 Ca 0.00 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.87 1bfi n GLN 92 Cb 0.00 0.00 0.16 0.00 -0.86 0.00 0.00 30.24 29.54 1bfi n GLN 92 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 1bfi n HIS 93 N 0.97 -1.60 0.00 2.61 8.25 -1.26 -1.27 115.22 122.92 1bfi n HIS 93 Ca 0.00 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.61 1bfi n HIS 93 Cb 0.00 -1.50 0.00 0.00 1.12 0.00 0.00 29.99 29.61 1bfi n HIS 93 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1bfi n ASN 94 N -1.14 0.00 -2.63 0.41 5.03 -1.26 -3.72 115.26 111.94 1bfi n ASN 94 Ca 0.01 0.00 -0.17 0.00 0.87 0.00 0.00 54.58 55.30 1bfi n ASN 94 Cb 0.59 -0.33 -0.00 0.00 -1.02 0.00 0.00 39.78 39.02 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 0.03 -4.54 0.00 6.41 8.00 -0.40 -4.78 116.55 121.28 1bfi n ASP 95 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1bfi n ASP 95 Cb 0.00 -3.80 0.00 0.00 -0.02 0.00 0.00 41.12 37.30 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 -2.00 0.27 -3.04 -2.24 7.64 -1.24 -4.84 113.62 108.18 1bfi n SER 96 Ca -0.14 -0.96 -0.33 0.00 1.01 0.00 0.00 58.87 58.45 1bfi n SER 96 Cb 0.62 0.01 -0.05 0.00 -1.01 0.00 0.00 64.21 63.78 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 -0.01 7.87 -4.57 -3.43 4.77 -1.16 -4.81 117.00 115.65 1bfi n LEU 97 Ca 0.00 -4.20 -0.42 0.00 -0.03 0.00 0.00 56.01 51.36 1bfi n LEU 97 Cb 0.17 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 39.76 1bfi n LEU 97 CO 0.00 1.99 1.73 0.21 -1.33 0.00 0.00 177.39 179.99 1bfi s ASN 98 N 1.77 6.63 0.08 -1.43 3.84 -1.26 0.51 114.94 125.08 1bfi s ASN 98 Ca 0.66 -1.95 -0.26 0.00 0.21 0.00 0.00 52.86 51.52 1bfi s ASN 98 Cb 0.22 -2.58 0.07 0.00 -0.55 0.00 0.00 41.25 38.41 1bfi s ASN 98 CO -0.06 -1.38 0.63 0.54 -2.79 0.00 0.00 177.10 174.04 1bfi s VAL 99 N 4.76 0.00 0.06 -5.21 0.11 -1.26 -4.66 120.40 114.20 1bfi s VAL 99 Ca 0.51 -0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.64 1bfi s VAL 99 Cb 0.02 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 1bfi s VAL 99 CO -0.00 -0.00 -0.24 0.42 -3.33 0.00 0.00 175.10 171.95 1bfi s THR 100 N -2.72 1.92 -1.53 5.04 -4.23 -1.26 -1.18 115.64 111.69 1bfi s THR 100 Ca -0.04 -1.39 -0.12 0.00 -1.18 0.00 0.00 61.69 58.96 1bfi s THR 100 Cb -0.01 -1.67 -0.01 0.00 1.34 0.00 0.00 72.50 72.15 1bfi s THR 100 CO -0.04 0.21 2.53 0.18 -0.54 0.00 0.00 174.62 176.96 1bfi n LEU 101 N 1.59 7.66 -0.03 4.79 4.77 -1.18 -4.47 117.00 130.14 1bfi n LEU 101 Ca -0.17 -4.25 0.05 0.00 -0.03 0.00 0.00 56.01 51.61 1bfi n LEU 101 Cb 0.53 -1.61 -0.16 0.00 -2.33 0.00 0.00 43.42 39.84 1bfi n LEU 101 CO 0.23 1.51 -0.85 0.00 -1.33 0.00 0.00 177.39 176.95 1bfi n ALA 102 N 5.01 2.43 -3.71 -1.18 0.00 -1.24 -4.08 120.51 117.74 1bfi n ALA 102 Ca 0.63 -0.74 -0.34 0.00 0.00 0.00 0.00 53.44 52.98 1bfi n ALA 102 Cb 0.32 -0.60 -0.14 0.00 0.00 0.00 0.00 19.45 19.03 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 -3.22 3.11 0.78 0.00 2.02 -1.03 -5.02 117.35 113.98 1bfi s TYR 103 Ca -0.08 -1.63 -0.13 0.00 -0.37 0.00 0.00 57.07 54.85 1bfi s TYR 103 Cb 0.12 -2.07 0.07 0.00 -0.40 0.00 0.00 41.96 39.68 1bfi s TYR 103 CO 0.88 -0.75 1.17 -2.14 -1.57 0.00 0.00 175.55 173.15 1bfi s PRO 104 N 1.31 1.90 0.16 -1.71 0.02 -1.26 -1.23 135.00 134.18 1bfi s PRO 104 Ca -0.01 1.63 0.07 0.00 0.02 0.00 0.00 61.00 62.71 1bfi s PRO 104 Cb -0.17 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.48 1bfi s PRO 104 CO -0.04 -1.99 1.37 -0.24 -0.33 0.00 0.00 177.00 175.77 1bfi h VAL 105 N -0.77 1.63 -0.99 3.83 3.04 -0.09 -3.21 116.25 119.68 1bfi h VAL 105 Ca -0.46 -3.02 -0.53 0.00 -1.01 0.00 0.00 66.70 61.68 1bfi h VAL 105 Cb 1.28 2.64 -0.31 0.00 -2.01 0.00 0.00 31.29 32.89 1bfi h VAL 105 CO 0.48 0.86 0.68 -1.22 -1.01 0.00 0.00 177.57 177.36 1bfi n TYR 106 N -3.50 3.08 0.95 3.17 4.01 0.12 -4.51 117.16 120.47 1bfi n TYR 106 Ca -0.01 -1.96 0.00 0.00 -0.16 0.00 0.00 57.90 55.77 1bfi n TYR 106 Cb 0.85 -1.00 0.00 0.00 -0.31 0.00 0.00 39.34 38.88 1bfi n TYR 106 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bfi n ALA 107 N -1.12 2.42 -1.66 -0.72 0.00 -1.21 -4.65 120.51 113.57 1bfi n ALA 107 Ca 0.60 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.60 1bfi n ALA 107 Cb 1.57 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.01 1bfi n ALA 107 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1bfi n GLN 108 N 0.03 1.87 -3.55 0.00 7.27 -1.26 -4.95 117.38 116.79 1bfi n GLN 108 Ca 0.00 0.66 -0.37 0.00 0.07 0.00 0.00 57.00 57.36 1bfi n GLN 108 Cb 0.24 -2.22 -0.06 0.00 2.41 0.00 0.00 30.24 30.61 1bfi n GLN 108 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 1bfi s GLN 109 N -1.15 3.84 -0.16 3.69 -1.52 -1.26 -5.07 119.66 118.03 1bfi s GLN 109 Ca 0.62 0.32 -0.06 0.00 -1.95 0.00 0.00 55.36 54.29 1bfi s GLN 109 Cb -0.64 -3.18 -0.04 0.00 -0.22 0.00 0.00 33.01 28.93 1bfi s GLN 109 CO 0.56 0.68 0.04 0.50 -0.25 0.00 0.00 175.29 176.82 1bfi s ARG 110 N -1.21 3.72 0.00 2.91 3.52 -1.26 -5.30 118.95 121.32 1bfi s ARG 110 Ca 0.24 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 1bfi s ARG 110 Cb -0.16 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.15 1bfi s ARG 110 CO 0.13 0.38 0.00 -2.13 -0.81 0.00 0.00 175.30 172.87