#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 6.56 -0.16 4.31 1.01 -1.26 -4.99 116.67 122.14 1bfi s ASP 2 Ca 0.00 2.83 -0.08 0.00 0.71 0.00 0.00 52.55 56.00 1bfi s ASP 2 Cb 0.00 -2.66 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 1bfi s ASP 2 CO 0.00 -0.70 0.12 -0.76 0.21 0.00 0.00 175.17 174.04 1bfi s LEU 3 N -1.97 4.20 0.31 1.23 1.43 -1.26 -4.94 118.68 117.67 1bfi s LEU 3 Ca 0.51 0.29 0.12 0.00 -1.03 0.00 0.00 54.13 54.03 1bfi s LEU 3 Cb -0.42 -2.05 0.65 0.00 0.03 0.00 0.00 46.19 44.40 1bfi s LEU 3 CO 0.57 0.27 1.25 -2.65 0.23 0.00 0.00 176.35 176.02 1bfi n PRO 4 N 2.90 0.08 0.09 1.29 -0.02 -1.26 0.07 135.00 138.14 1bfi n PRO 4 Ca -0.18 0.55 0.09 0.00 -2.02 0.00 0.00 63.50 61.94 1bfi n PRO 4 Cb 0.53 -2.08 0.40 0.00 -0.02 0.00 0.00 33.50 32.33 1bfi n PRO 4 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1bfi n HIS 5 N -2.01 0.49 0.11 6.00 8.25 -1.26 -1.83 115.22 124.98 1bfi n HIS 5 Ca -0.01 0.21 0.03 0.00 -0.26 0.00 0.00 57.72 57.69 1bfi n HIS 5 Cb 0.33 -0.84 0.41 0.00 1.12 0.00 0.00 29.99 31.01 1bfi n HIS 5 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1bfi h HIS 6 N 0.00 0.28 -3.03 4.41 3.86 -0.77 -3.41 115.15 116.49 1bfi h HIS 6 Ca 0.00 -0.02 -0.63 0.00 -1.16 0.00 0.00 60.37 58.56 1bfi h HIS 6 Cb 0.21 -0.08 -0.10 0.00 1.06 0.00 0.00 27.41 28.49 1bfi h HIS 6 CO 0.00 0.34 -0.50 -0.51 0.86 0.00 0.00 177.93 178.13 1bfi s ASP 7 N -6.86 6.20 0.40 2.45 1.01 -0.76 -4.97 116.67 114.13 1bfi s ASP 7 Ca -0.06 0.31 0.18 0.00 0.71 0.00 0.00 52.55 53.69 1bfi s ASP 7 Cb 0.16 -2.05 0.83 0.00 1.01 0.00 0.00 42.92 42.86 1bfi s ASP 7 CO 0.73 0.28 1.82 -0.33 0.21 0.00 0.00 175.17 177.88 1bfi h GLU 8 N 5.97 0.00 -0.52 8.23 5.08 -1.85 -2.93 114.58 128.55 1bfi h GLU 8 Ca -0.46 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1bfi h GLU 8 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1bfi h GLU 8 CO 0.68 0.34 0.30 1.57 -1.00 0.00 0.00 179.01 180.90 1bfi h LYS 9 N 0.00 0.71 -0.36 2.33 2.10 -1.92 4.73 116.57 124.15 1bfi h LYS 9 Ca -0.00 -0.06 0.01 0.00 -2.00 0.00 0.00 60.65 58.59 1bfi h LYS 9 Cb 0.72 -0.15 -0.02 0.00 -0.90 0.00 0.00 32.23 31.88 1bfi h LYS 9 CO 0.04 0.51 0.24 1.79 -2.00 0.00 0.00 179.45 180.03 1bfi h THR 10 N 0.72 1.07 0.00 0.07 1.35 -1.72 -3.34 112.91 111.07 1bfi h THR 10 Ca 0.19 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 1bfi h THR 10 Cb -0.00 0.58 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 1bfi h THR 10 CO -0.03 0.08 -0.96 -2.67 -0.25 0.00 0.00 175.52 171.69 1bfi n TRP 11 N -4.48 0.00 -2.98 4.73 4.27 -0.80 -0.46 117.44 117.72 1bfi n TRP 11 Ca 0.03 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.23 1bfi n TRP 11 Cb 0.08 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 29.99 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 -3.68 6.86 0.00 -0.67 2.47 1.54 0.22 114.94 121.68 1bfi s ASN 12 Ca 0.00 1.05 0.25 0.00 0.42 0.00 0.00 52.86 54.58 1bfi s ASN 12 Cb 0.00 -2.41 0.46 0.00 -1.45 0.00 0.00 41.25 37.84 1bfi s ASN 12 CO 0.00 -0.34 1.38 0.52 -3.72 0.00 0.00 177.10 174.94 1bfi n VAL 13 N 4.68 0.00 -0.04 -5.21 0.31 -0.87 -3.91 118.33 113.29 1bfi n VAL 13 Ca 0.02 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1bfi n VAL 13 Cb 0.49 0.73 0.00 0.00 -0.91 0.00 0.00 33.84 34.15 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 1.37 -1.86 2.39 2.92 0.00 -1.26 -4.54 105.19 104.21 1bfi n GLY 14 Ca 0.11 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 1bfi n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1bfi n SER 15 N 0.00 8.00 -4.85 1.61 7.64 -1.26 -4.08 113.62 120.69 1bfi n SER 15 Ca 0.00 -2.65 -0.32 0.00 1.01 0.00 0.00 58.87 56.92 1bfi n SER 15 Cb 0.00 -1.56 -0.01 0.00 -1.01 0.00 0.00 64.21 61.63 1bfi n SER 15 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1bfi s SER 16 N 2.20 6.34 0.37 6.43 1.04 -1.26 -4.81 113.70 124.02 1bfi s SER 16 Ca 0.65 1.54 -0.26 0.00 0.48 0.00 0.00 55.95 58.36 1bfi s SER 16 Cb 0.17 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 63.71 1bfi s SER 16 CO -0.07 -0.78 1.19 0.20 0.98 0.00 0.00 173.24 174.76 1bfi s ASN 17 N -3.47 6.66 0.29 7.02 0.01 -1.26 -4.63 114.94 119.55 1bfi s ASN 17 Ca 0.58 2.41 -0.03 0.00 -0.71 0.00 0.00 52.86 55.11 1bfi s ASN 17 Cb -0.11 -2.62 0.41 0.00 0.41 0.00 0.00 41.25 39.33 1bfi s ASN 17 CO 0.41 -0.58 1.95 0.03 -1.51 0.00 0.00 177.10 177.39 1bfi h ARG 18 N 2.94 1.14 -0.60 -0.60 3.08 -1.93 -1.08 114.38 117.32 1bfi h ARG 18 Ca -0.48 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.47 1bfi h ARG 18 Cb 1.23 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 31.00 1bfi h ARG 18 CO 0.64 0.75 0.28 -2.95 -1.07 0.00 0.00 179.97 177.62 1bfi h ASN 19 N 1.17 0.80 -0.64 7.04 -1.07 -2.00 -1.85 115.58 119.04 1bfi h ASN 19 Ca 0.34 -0.14 -0.00 0.00 0.07 0.00 0.00 56.30 56.57 1bfi h ASN 19 Cb -0.07 -0.21 -0.03 0.00 -2.07 0.00 0.00 38.32 35.94 1bfi h ASN 19 CO -0.09 0.72 0.40 0.50 0.07 0.00 0.00 177.43 179.03 1bfi h LYS 20 N 0.83 0.86 -0.49 4.14 3.64 -1.66 -0.26 116.57 123.64 1bfi h LYS 20 Ca 0.21 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.56 1bfi h LYS 20 Cb 0.14 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 1bfi h LYS 20 CO -0.02 0.60 0.33 0.00 -2.27 0.00 0.00 179.45 178.08 1bfi h ALA 21 N 1.56 1.82 -0.76 5.00 0.00 -0.40 0.06 119.26 126.54 1bfi h ALA 21 Ca 0.23 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1bfi h ALA 21 Cb -0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 1bfi h ALA 21 CO -0.05 0.12 0.48 1.49 0.00 0.00 0.00 179.25 181.29 1bfi h GLU 22 N 0.51 0.92 -0.32 0.00 4.81 -0.75 1.02 114.58 120.77 1bfi h GLU 22 Ca 0.20 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1bfi h GLU 22 Cb 0.17 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1bfi h GLU 22 CO -0.05 0.61 0.20 -0.97 -0.73 0.00 0.00 179.01 178.07 1bfi h ASN 23 N 0.94 0.34 0.01 1.04 -0.73 -0.94 1.87 115.58 118.11 1bfi h ASN 23 Ca 0.30 -0.00 -0.09 0.00 1.87 0.00 0.00 56.30 58.38 1bfi h ASN 23 Cb 0.01 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 38.51 1bfi h ASN 23 CO -0.11 0.25 -0.26 -0.07 -0.37 0.00 0.00 177.43 176.87 1bfi h LEU 24 N 0.41 0.41 0.00 0.34 -0.00 -0.80 -1.56 115.31 114.11 1bfi h LEU 24 Ca 0.12 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1bfi h LEU 24 Cb -0.03 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 40.52 1bfi h LEU 24 CO -0.04 0.67 -0.07 -0.07 -0.00 0.00 0.00 178.44 178.93 1bfi h LEU 25 N 0.36 0.00 -9.23 1.67 3.38 0.21 -3.39 115.31 108.31 1bfi h LEU 25 Ca 0.05 -0.02 -0.56 0.00 0.09 0.00 0.00 57.88 57.45 1bfi h LEU 25 Cb 0.65 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1bfi h LEU 25 CO 0.05 0.01 0.83 -0.13 0.09 0.00 0.00 178.44 179.28 1bfi s ARG 26 N -3.13 4.28 -0.44 1.13 0.52 0.63 -2.31 118.95 119.62 1bfi s ARG 26 Ca 0.09 1.71 0.00 0.00 -0.52 0.00 0.00 55.73 57.02 1bfi s ARG 26 Cb 0.11 -3.68 0.00 0.00 0.52 0.00 0.00 34.95 31.90 1bfi s ARG 26 CO 0.63 -0.60 0.00 0.41 0.02 0.00 0.00 175.30 175.75 1bfi n GLY 27 N 3.54 0.70 3.81 -3.53 0.00 -1.26 -4.93 105.19 103.52 1bfi n GLY 27 Ca 0.13 -0.83 -0.37 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 -2.28 3.89 0.65 1.61 2.47 -0.98 -5.07 119.74 120.03 1bfi s LYS 28 Ca 0.00 0.06 -0.13 0.00 -1.56 0.00 0.00 55.97 54.34 1bfi s LYS 28 Cb 0.00 -3.30 -0.01 0.00 -1.46 0.00 0.00 37.83 33.06 1bfi s LYS 28 CO 0.00 0.54 1.06 1.03 0.16 0.00 0.00 175.35 178.13 1bfi s ARG 29 N -0.42 3.13 1.15 4.03 0.52 -1.26 -4.93 118.95 121.17 1bfi s ARG 29 Ca 0.17 1.06 -0.13 0.00 -0.52 0.00 0.00 55.73 56.31 1bfi s ARG 29 Cb -0.13 -2.01 0.27 0.00 0.52 0.00 0.00 34.95 33.60 1bfi s ARG 29 CO 0.06 -0.95 1.04 0.16 0.02 0.00 0.00 175.30 175.62 1bfi s ASP 30 N -3.36 1.14 0.00 0.23 1.47 -1.26 -2.86 116.67 112.04 1bfi s ASP 30 Ca 0.60 1.47 0.00 0.00 1.18 0.00 0.00 52.55 55.80 1bfi s ASP 30 Cb -0.15 -2.24 0.00 0.00 -0.34 0.00 0.00 42.92 40.19 1bfi s ASP 30 CO 0.47 -4.09 0.00 0.61 0.68 0.00 0.00 175.17 172.83 1bfi n GLY 31 N 0.55 2.31 3.66 2.12 0.00 -1.08 -4.94 105.19 107.81 1bfi n GLY 31 Ca 0.03 0.00 -0.43 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 -0.14 4.72 0.20 2.61 2.01 -1.14 -2.07 115.64 121.84 1bfi s THR 32 Ca 0.00 1.98 0.01 0.00 0.31 0.00 0.00 61.69 63.99 1bfi s THR 32 Cb 0.00 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 1bfi s THR 32 CO 0.00 -0.13 0.06 0.72 -0.69 0.00 0.00 174.62 174.58 1bfi s PHE 33 N 2.94 1.27 0.12 4.92 -0.12 -0.43 -3.17 117.98 123.51 1bfi s PHE 33 Ca 0.44 -1.15 -0.11 0.00 -0.05 0.00 0.00 56.93 56.06 1bfi s PHE 33 Cb -0.16 -0.72 0.01 0.00 -0.63 0.00 0.00 43.02 41.52 1bfi s PHE 33 CO 0.08 -0.35 0.27 -0.48 -0.05 0.00 0.00 175.22 174.69 1bfi s LEU 34 N -3.20 1.05 -0.14 -1.99 2.34 0.40 -1.66 118.68 115.47 1bfi s LEU 34 Ca 0.31 -0.62 -0.04 0.00 0.06 0.00 0.00 54.13 53.84 1bfi s LEU 34 Cb 0.07 1.29 -0.03 0.00 -0.56 0.00 0.00 46.19 46.96 1bfi s LEU 34 CO 0.08 -0.80 0.01 -0.69 -1.06 0.00 0.00 176.35 173.88 1bfi s VAL 35 N -3.87 4.30 0.27 1.48 1.01 0.59 0.40 120.40 124.58 1bfi s VAL 35 Ca 0.07 -0.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.77 1bfi s VAL 35 Cb 0.04 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1bfi s VAL 35 CO -0.09 0.51 0.40 0.00 0.00 0.00 0.00 175.10 175.93 1bfi s ARG 36 N 0.01 1.61 0.37 2.72 1.70 0.11 -2.05 118.95 123.43 1bfi s ARG 36 Ca 0.03 -1.52 0.05 0.00 -0.47 0.00 0.00 55.73 53.81 1bfi s ARG 36 Cb -0.13 0.42 -0.07 0.00 -0.57 0.00 0.00 34.95 34.60 1bfi s ARG 36 CO 0.02 -0.64 0.04 -1.21 -1.08 0.00 0.00 175.30 172.42 1bfi s GLU 37 N -3.70 1.81 0.00 3.89 2.02 -1.26 -0.51 118.70 120.96 1bfi s GLU 37 Ca 0.29 -2.03 0.00 0.00 0.02 0.00 0.00 54.97 53.26 1bfi s GLU 37 Cb 0.01 -1.22 0.00 0.00 0.10 0.00 0.00 34.13 33.02 1bfi s GLU 37 CO 0.14 -0.14 0.56 0.43 0.02 0.00 0.00 175.26 176.26 1bfi n SER 38 N -0.85 0.42 0.00 -0.19 7.64 -0.24 -4.72 113.62 115.68 1bfi n SER 38 Ca -0.04 -1.54 0.00 0.00 1.01 0.00 0.00 58.87 58.30 1bfi n SER 38 Cb 0.67 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 -0.16 -0.20 0.00 6.43 2.88 -1.26 -4.80 113.62 116.50 1bfi n SER 39 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1bfi n SER 39 Cb 0.11 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 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 2.53 0.00 -0.85 -1.46 4.76 -1.26 -2.59 118.16 119.29 1bfi n LYS 40 Ca 0.00 0.00 0.07 0.00 -2.87 0.00 0.00 58.31 55.51 1bfi n LYS 40 Cb 0.00 0.00 0.39 0.00 -1.84 0.00 0.00 35.03 33.58 1bfi n LYS 40 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1bfi n GLN 41 N 8.58 4.63 0.16 1.97 6.02 -1.26 -4.58 117.38 132.91 1bfi n GLN 41 Ca 0.00 -3.13 -0.14 0.00 -0.01 0.00 0.00 57.00 53.72 1bfi n GLN 41 Cb 0.00 -2.22 -0.08 0.00 1.02 0.00 0.00 30.24 28.96 1bfi n GLN 41 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1bfi h GLY 42 N 3.68 -0.35 -2.39 1.08 0.00 -1.82 -3.47 103.07 99.79 1bfi h GLY 42 Ca 0.01 0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.52 1bfi h GLY 42 CO 0.47 -0.13 0.26 0.00 0.00 0.00 0.00 176.54 177.14 1bfi s TYR 44 N -3.77 1.92 0.03 0.00 1.51 -0.90 -1.08 117.35 115.07 1bfi s TYR 44 Ca 0.08 -0.39 -0.28 0.00 -1.01 0.00 0.00 57.07 55.48 1bfi s TYR 44 Cb -0.04 -1.13 0.07 0.00 -0.11 0.00 0.00 41.96 40.75 1bfi s TYR 44 CO -0.00 0.13 0.64 0.00 -1.11 0.00 0.00 175.55 175.21 1bfi s ALA 45 N -0.87 -1.68 -0.19 3.71 0.00 0.33 0.17 121.76 123.23 1bfi s ALA 45 Ca 0.08 0.97 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 1bfi s ALA 45 Cb -0.09 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 1bfi s ALA 45 CO 0.02 -0.52 -0.02 0.00 0.00 0.00 0.00 175.76 175.24 1bfi s SER 47 N 0.84 6.60 0.26 0.00 0.15 0.16 0.11 113.70 121.83 1bfi s SER 47 Ca -0.00 0.72 0.07 0.00 0.70 0.00 0.00 55.95 57.44 1bfi s SER 47 Cb -0.14 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 61.83 1bfi s SER 47 CO 0.02 -0.09 -0.08 -0.69 1.20 0.00 0.00 173.24 173.61 1bfi s VAL 48 N 1.13 1.64 -0.06 4.45 1.01 -0.26 -0.45 120.40 127.86 1bfi s VAL 48 Ca 0.24 -2.14 0.04 0.00 0.00 0.00 0.00 61.98 60.12 1bfi s VAL 48 Cb -0.15 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.88 1bfi s VAL 48 CO 0.10 -0.37 -0.18 -0.69 0.00 0.00 0.00 175.10 173.96 1bfi s VAL 49 N -3.02 1.57 0.19 2.92 1.01 -1.19 -1.75 120.40 120.14 1bfi s VAL 49 Ca 0.28 -0.77 0.10 0.00 0.00 0.00 0.00 61.98 61.59 1bfi s VAL 49 Cb 0.03 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1bfi s VAL 49 CO 0.11 0.45 -0.19 0.54 0.00 0.00 0.00 175.10 176.00 1bfi s VAL 50 N 0.24 2.03 0.34 2.92 0.11 -0.46 -2.65 120.40 122.93 1bfi s VAL 50 Ca -0.10 -2.06 0.16 0.00 -2.93 0.00 0.00 61.98 57.05 1bfi s VAL 50 Cb -0.14 -2.00 0.16 0.00 -1.53 0.00 0.00 36.38 32.87 1bfi s VAL 50 CO 0.04 -0.32 1.42 0.44 -3.33 0.00 0.00 175.10 173.36 1bfi h ASP 51 N 3.00 0.00 0.00 3.54 3.32 -1.94 -1.59 116.42 122.74 1bfi h ASP 51 Ca -0.42 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.62 1bfi h ASP 51 Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 1bfi h ASP 51 CO 0.53 0.00 -0.35 1.23 -1.72 0.00 0.00 179.24 178.93 1bfi h GLY 52 N 0.00 0.00 0.00 2.75 0.00 -1.93 -3.51 103.07 100.38 1bfi h GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bfi h GLY 52 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 1bfi n GLU 53 N -4.67 0.00 -3.32 4.80 -0.58 -0.60 -5.13 120.64 111.14 1bfi n GLU 53 Ca -0.06 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.29 1bfi n GLU 53 Cb 0.20 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.99 1bfi n GLU 53 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1bfi s VAL 54 N -2.84 5.14 0.11 2.62 1.01 -1.26 -1.35 120.40 123.83 1bfi s VAL 54 Ca 0.00 0.80 0.09 0.00 0.00 0.00 0.00 61.98 62.87 1bfi s VAL 54 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1bfi s VAL 54 CO 0.00 0.19 -0.24 -0.54 0.00 0.00 0.00 175.10 174.51 1bfi s LYS 55 N 1.68 1.32 -0.39 2.72 3.01 -0.72 -4.99 119.74 122.36 1bfi s LYS 55 Ca 0.20 -1.22 -0.03 0.00 -1.01 0.00 0.00 55.97 53.91 1bfi s LYS 55 Cb -0.15 -1.67 0.10 0.00 -1.01 0.00 0.00 37.83 35.10 1bfi s LYS 55 CO 0.09 0.40 0.17 -1.01 0.51 0.00 0.00 175.35 175.50 1bfi s HIS 56 N -1.06 3.53 0.08 3.18 3.76 -1.26 -1.10 115.29 122.41 1bfi s HIS 56 Ca 0.10 -2.31 -0.31 0.00 -0.15 0.00 0.00 55.06 52.40 1bfi s HIS 56 Cb -0.10 -3.02 -0.06 0.00 1.11 0.00 0.00 32.58 30.51 1bfi s HIS 56 CO 0.05 -0.94 1.25 0.00 -0.85 0.00 0.00 174.74 174.24 1bfi s VAL 58 N 1.06 4.79 -0.22 0.00 0.11 -1.26 0.18 120.40 125.06 1bfi s VAL 58 Ca 0.60 1.22 0.01 0.00 -2.93 0.00 0.00 61.98 60.88 1bfi s VAL 58 Cb -0.31 -3.90 0.05 0.00 -1.53 0.00 0.00 36.38 30.69 1bfi s VAL 58 CO 0.29 0.52 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.88 1bfi s ILE 59 N -0.86 1.60 0.42 7.04 -1.09 0.44 -4.74 121.20 124.00 1bfi s ILE 59 Ca 0.29 -1.17 0.07 0.00 -2.23 0.00 0.00 60.65 57.61 1bfi s ILE 59 Cb -0.19 -1.79 -0.07 0.00 -1.58 0.00 0.00 42.46 38.83 1bfi s ILE 59 CO 0.18 -0.01 0.05 0.20 -1.23 0.00 0.00 174.94 174.14 1bfi s ASN 60 N 1.38 4.02 -0.13 3.58 0.01 -1.22 -2.12 114.94 120.46 1bfi s ASN 60 Ca -0.04 -1.32 0.17 0.00 -0.71 0.00 0.00 52.86 50.96 1bfi s ASN 60 Cb -0.18 -0.37 0.43 0.00 0.41 0.00 0.00 41.25 41.54 1bfi s ASN 60 CO -0.07 -0.50 1.20 2.29 -1.51 0.00 0.00 177.10 178.51 1bfi n LYS 61 N -1.05 1.03 -0.93 -0.60 2.85 -1.26 0.11 118.16 118.31 1bfi n LYS 61 Ca -0.05 -2.83 -0.15 0.00 -1.05 0.00 0.00 58.31 54.24 1bfi n LYS 61 Cb 0.66 -1.00 0.10 0.00 -0.65 0.00 0.00 35.03 34.15 1bfi n LYS 61 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1bfi n THR 62 N -0.46 0.00 0.25 0.58 -2.24 -1.26 -4.76 114.28 106.39 1bfi n THR 62 Ca 0.14 -0.48 0.12 0.00 -2.27 0.00 0.00 64.05 61.56 1bfi n THR 62 Cb 0.88 -1.72 0.74 0.00 -2.10 0.00 0.00 70.33 68.13 1bfi n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bfi h ALA 63 N -1.92 1.89 0.00 6.98 0.00 -2.02 0.35 119.26 124.53 1bfi h ALA 63 Ca -0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1bfi h ALA 63 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1bfi h ALA 63 CO 0.15 -0.07 0.00 0.25 0.00 0.00 0.00 179.25 179.58 1bfi n THR 64 N -4.28 0.06 0.00 0.00 -2.24 -1.26 -4.93 114.28 101.63 1bfi n THR 64 Ca -0.02 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1bfi n THR 64 Cb 0.14 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.83 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 1.15 -1.60 1.07 3.38 0.00 0.12 -2.15 105.19 107.16 1bfi n GLY 65 Ca 0.14 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.61 1bfi n GLY 65 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1bfi n TYR 66 N -1.96 0.00 0.00 1.61 0.18 0.30 -4.24 117.16 113.04 1bfi n TYR 66 Ca 0.00 -0.12 0.00 0.00 1.88 0.00 0.00 57.90 59.66 1bfi n TYR 66 Cb 0.00 -0.15 0.00 0.00 -0.38 0.00 0.00 39.34 38.81 1bfi n TYR 66 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1bfi n GLY 67 N 0.97 1.96 0.20 -7.48 0.00 -1.25 -3.38 105.19 96.19 1bfi n GLY 67 Ca 0.00 -0.36 0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 0.00 0.49 1.61 3.72 -1.26 -3.67 117.46 118.35 1bfi n PHE 68 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 1bfi n PHE 68 Cb 0.00 -0.15 0.20 0.00 -0.94 0.00 0.00 39.48 38.59 1bfi n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bfi n ALA 69 N -0.82 2.43 -0.09 4.37 0.00 -1.26 -4.31 120.51 120.82 1bfi n ALA 69 Ca 0.11 -0.92 0.03 0.00 0.00 0.00 0.00 53.44 52.67 1bfi n ALA 69 Cb 0.35 -0.87 0.36 0.00 0.00 0.00 0.00 19.45 19.29 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 4.49 0.69 -7.48 0.00 4.81 -1.50 -3.42 114.58 112.17 1bfi h GLU 70 Ca 0.00 -0.04 -0.44 0.00 -0.13 0.00 0.00 59.36 58.75 1bfi h GLU 70 Cb 0.98 -0.16 0.16 0.00 0.63 0.00 0.00 28.75 30.37 1bfi h GLU 70 CO 0.00 0.46 0.23 -2.14 -0.73 0.00 0.00 179.01 176.83 1bfi s PRO 71 N -5.62 0.01 0.15 0.92 0.02 -1.26 -4.88 135.00 124.34 1bfi s PRO 71 Ca -0.09 0.08 0.13 0.00 0.02 0.00 0.00 61.00 61.14 1bfi s PRO 71 Cb 0.18 -1.73 0.63 0.00 0.02 0.00 0.00 34.50 33.60 1bfi s PRO 71 CO 0.75 -2.92 1.39 0.66 -0.33 0.00 0.00 177.00 176.55 1bfi n TYR 72 N -4.23 0.37 -3.39 6.54 4.01 -1.26 -4.24 117.16 114.95 1bfi n TYR 72 Ca 0.10 0.18 -0.44 0.00 -0.16 0.00 0.00 57.90 57.58 1bfi n TYR 72 Cb 0.59 -0.79 -0.07 0.00 -0.31 0.00 0.00 39.34 38.77 1bfi n TYR 72 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1bfi s ASN 73 N -3.53 6.07 0.00 7.72 2.47 -1.26 -4.85 114.94 121.56 1bfi s ASN 73 Ca 0.01 -1.59 0.16 0.00 0.42 0.00 0.00 52.86 51.86 1bfi s ASN 73 Cb 0.05 -2.16 0.37 0.00 -1.45 0.00 0.00 41.25 38.06 1bfi s ASN 73 CO 0.16 -0.73 1.29 0.18 -3.72 0.00 0.00 177.10 174.27 1bfi n LEU 74 N 5.16 3.11 -1.43 3.21 4.32 -1.26 -4.38 117.00 125.73 1bfi n LEU 74 Ca -0.12 -1.74 0.19 0.00 -0.02 0.00 0.00 56.01 54.32 1bfi n LEU 74 Cb 0.42 -0.25 -0.06 0.00 -1.62 0.00 0.00 43.42 41.91 1bfi n LEU 74 CO 0.49 0.73 -0.36 -1.22 -1.22 0.00 0.00 177.39 175.81 1bfi n TYR 75 N 0.99 -3.66 -0.11 -1.77 4.02 -1.26 -4.80 117.16 110.56 1bfi n TYR 75 Ca 0.15 1.87 -0.23 0.00 -0.01 0.00 0.00 57.90 59.68 1bfi n TYR 75 Cb 0.49 -3.32 -0.08 0.00 -0.02 0.00 0.00 39.34 36.40 1bfi n TYR 75 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1bfi n SER 76 N -4.25 1.69 -4.30 7.72 2.88 -1.26 -5.03 113.62 111.06 1bfi n SER 76 Ca -0.01 0.23 -0.21 0.00 -1.33 0.00 0.00 58.87 57.54 1bfi n SER 76 Cb 0.66 -0.63 -0.11 0.00 -0.75 0.00 0.00 64.21 63.38 1bfi n SER 76 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1bfi s SER 77 N -6.92 2.48 0.41 -3.46 0.01 -1.26 -5.03 113.70 99.93 1bfi s SER 77 Ca -0.31 -0.84 0.07 0.00 1.31 0.00 0.00 55.95 56.18 1bfi s SER 77 Cb 0.12 -0.13 0.85 0.00 0.21 0.00 0.00 66.02 67.07 1bfi s SER 77 CO 0.41 -0.06 2.05 -0.07 0.41 0.00 0.00 173.24 175.98 1bfi h LEU 78 N 3.37 0.47 -0.69 2.44 3.38 -1.95 -2.09 115.31 120.23 1bfi h LEU 78 Ca -0.42 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 57.60 1bfi h LEU 78 Cb 1.20 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 1bfi h LEU 78 CO 0.50 0.35 0.39 0.11 0.09 0.00 0.00 178.44 179.88 1bfi h LYS 79 N 0.55 0.70 -0.03 1.13 1.57 -1.95 0.67 116.57 119.20 1bfi h LYS 79 Ca 0.15 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1bfi h LYS 79 Cb -0.05 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1bfi h LYS 79 CO -0.03 0.46 -0.33 0.93 -0.57 0.00 0.00 179.45 179.91 1bfi h GLU 80 N 0.72 0.06 -0.88 3.15 5.08 -1.80 -2.49 114.58 118.41 1bfi h GLU 80 Ca 0.31 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1bfi h GLU 80 Cb 0.19 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1bfi h GLU 80 CO -0.18 0.38 0.55 1.25 -1.00 0.00 0.00 179.01 180.01 1bfi h LEU 81 N 0.05 1.05 -0.33 1.33 6.46 -0.64 0.21 115.31 123.43 1bfi h LEU 81 Ca 0.00 -0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.65 1bfi h LEU 81 Cb 0.61 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1bfi h LEU 81 CO 0.04 0.79 -0.04 0.58 -0.62 0.00 0.00 178.44 179.19 1bfi h VAL 82 N 1.21 1.27 -0.37 1.05 2.07 -0.98 -2.54 116.25 117.96 1bfi h VAL 82 Ca 0.32 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 1bfi h VAL 82 Cb -0.08 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1bfi h VAL 82 CO -0.06 0.34 -0.09 -0.07 0.02 0.00 0.00 177.57 177.71 1bfi h LEU 83 N 0.41 0.72 -0.95 2.57 3.38 -1.17 -2.78 115.31 117.50 1bfi h LEU 83 Ca 0.09 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.70 1bfi h LEU 83 Cb 0.52 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1bfi h LEU 83 CO 0.03 0.92 0.63 -0.74 0.09 0.00 0.00 178.44 179.37 1bfi h HIS 84 N 0.52 1.20 0.00 1.13 2.76 -0.58 -0.62 115.15 119.56 1bfi h HIS 84 Ca 0.09 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1bfi h HIS 84 Cb 0.61 -0.41 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 1bfi h HIS 84 CO 0.05 0.76 -0.16 1.88 -1.30 0.00 0.00 177.93 179.16 1bfi h TYR 85 N 1.29 0.00 -0.64 5.26 -1.99 -1.35 -1.67 116.97 117.86 1bfi h TYR 85 Ca 0.35 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.07 1bfi h TYR 85 Cb -0.15 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.55 1bfi h TYR 85 CO -0.00 0.16 0.35 0.37 -0.00 0.00 0.00 178.16 179.03 1bfi h GLN 86 N 0.00 0.89 0.00 4.88 4.15 -0.82 -2.18 115.11 122.02 1bfi h GLN 86 Ca -0.00 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.32 1bfi h GLN 86 Cb 0.49 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1bfi h GLN 86 CO 0.02 0.66 -0.96 0.72 -1.93 0.00 0.00 178.83 177.34 1bfi n HIS 87 N -4.37 0.56 -3.79 3.99 8.25 -0.88 -4.50 115.22 114.48 1bfi n HIS 87 Ca 0.06 0.16 -0.35 0.00 -0.26 0.00 0.00 57.72 57.34 1bfi n HIS 87 Cb 0.10 -0.67 -0.08 0.00 1.12 0.00 0.00 29.99 30.45 1bfi n HIS 87 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1bfi s THR 88 N -3.26 5.27 0.04 1.59 2.01 -0.68 -5.07 115.64 115.54 1bfi s THR 88 Ca 0.02 0.14 -0.28 0.00 0.31 0.00 0.00 61.69 61.88 1bfi s THR 88 Cb 0.12 -3.40 -0.05 0.00 0.01 0.00 0.00 72.50 69.19 1bfi s THR 88 CO 0.78 0.44 0.90 -0.55 -0.69 0.00 0.00 174.62 175.50 1bfi s SER 89 N 0.37 7.34 0.17 3.53 0.15 -1.26 -4.62 113.70 119.39 1bfi s SER 89 Ca 0.07 1.61 0.20 0.00 0.70 0.00 0.00 55.95 58.53 1bfi s SER 89 Cb -0.11 -2.54 0.85 0.00 -1.71 0.00 0.00 66.02 62.51 1bfi s SER 89 CO -0.01 -0.12 1.61 0.18 1.20 0.00 0.00 173.24 176.09 1bfi n LEU 90 N 3.27 0.43 -0.47 3.45 4.77 -0.08 -3.47 117.00 124.90 1bfi n LEU 90 Ca 0.02 0.62 0.38 0.00 -0.03 0.00 0.00 56.01 57.00 1bfi n LEU 90 Cb 0.50 -0.57 0.62 0.00 -2.33 0.00 0.00 43.42 41.64 1bfi n LEU 90 CO 0.50 -0.49 1.11 0.55 -1.33 0.00 0.00 177.39 177.74 1bfi n VAL 91 N -1.99 -0.13 0.01 4.08 3.14 2.25 0.67 118.33 126.36 1bfi n VAL 91 Ca 0.02 1.42 -0.13 0.00 -2.96 0.00 0.00 64.34 62.69 1bfi n VAL 91 Cb 0.19 -2.33 -0.09 0.00 -1.06 0.00 0.00 33.84 30.55 1bfi n VAL 91 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1bfi h GLN 92 N 0.00 -0.01 -0.57 1.45 4.15 -1.79 -0.01 115.11 118.33 1bfi h GLN 92 Ca 0.76 0.00 0.11 0.00 0.77 0.00 0.00 58.65 60.29 1bfi h GLN 92 Cb 2.69 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 30.30 1bfi h GLN 92 CO -0.25 0.29 0.07 1.25 -1.93 0.00 0.00 178.83 178.26 1bfi h HIS 93 N -0.30 0.10 -3.55 3.99 2.76 -0.05 -3.33 115.15 114.77 1bfi h HIS 93 Ca -0.00 0.04 -0.60 0.00 -2.20 0.00 0.00 60.37 57.61 1bfi h HIS 93 Cb 0.30 0.04 -0.38 0.00 1.55 0.00 0.00 27.41 28.92 1bfi h HIS 93 CO 0.03 -0.08 -0.79 1.21 -1.30 0.00 0.00 177.93 177.00 1bfi s ASN 94 N -5.27 3.63 0.49 3.26 3.84 -1.07 -4.96 114.94 114.85 1bfi s ASN 94 Ca -0.13 -1.06 0.18 0.00 0.21 0.00 0.00 52.86 52.05 1bfi s ASN 94 Cb 0.17 -1.13 0.61 0.00 -0.55 0.00 0.00 41.25 40.35 1bfi s ASN 94 CO 0.73 -0.22 1.00 0.47 -2.79 0.00 0.00 177.10 176.29 1bfi n ASP 95 N 4.71 0.00 -1.43 -4.21 8.00 -0.04 0.40 116.55 123.98 1bfi n ASP 95 Ca -0.12 0.57 -0.06 0.00 0.71 0.00 0.00 54.79 55.89 1bfi n ASP 95 Cb 0.45 -0.17 0.22 0.00 -0.02 0.00 0.00 41.12 41.60 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 -2.73 3.32 -3.82 -2.24 7.64 -1.25 -4.75 113.62 109.80 1bfi n SER 96 Ca 0.16 -3.52 -0.42 0.00 1.01 0.00 0.00 58.87 56.10 1bfi n SER 96 Cb 1.16 -0.67 0.01 0.00 -1.01 0.00 0.00 64.21 63.70 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 -0.87 6.92 -4.20 -3.43 4.77 1.31 -4.90 117.00 116.59 1bfi n LEU 97 Ca 0.37 -5.18 -0.42 0.00 -0.03 0.00 0.00 56.01 50.74 1bfi n LEU 97 Cb 1.18 -1.27 -0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1bfi n LEU 97 CO 0.30 1.81 2.28 -3.20 -1.33 0.00 0.00 177.39 177.25 1bfi n ASN 98 N 1.18 4.43 -3.66 -1.43 4.05 -1.26 0.56 115.26 119.13 1bfi n ASN 98 Ca 0.38 -2.88 -0.13 0.00 0.45 0.00 0.00 54.58 52.39 1bfi n ASN 98 Cb 0.30 -1.70 -0.07 0.00 1.23 0.00 0.00 39.78 39.54 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 3.87 0.05 0.09 3.44 1.01 -1.26 -4.87 120.40 122.73 1bfi s VAL 99 Ca 0.51 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 62.12 1bfi s VAL 99 Cb 0.08 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 1bfi s VAL 99 CO 0.01 -0.22 -0.08 0.42 0.00 0.00 0.00 175.10 175.22 1bfi s THR 100 N -2.19 0.82 -1.21 3.92 -4.23 -1.26 -0.90 115.64 110.57 1bfi s THR 100 Ca -0.07 -1.71 -0.17 0.00 -1.18 0.00 0.00 61.69 58.55 1bfi s THR 100 Cb -0.01 -1.42 -0.03 0.00 1.34 0.00 0.00 72.50 72.38 1bfi s THR 100 CO -0.00 -0.67 2.07 0.18 -0.54 0.00 0.00 174.62 175.65 1bfi n LEU 101 N 0.39 5.59 -0.10 4.79 4.77 -1.18 -4.48 117.00 126.76 1bfi n LEU 101 Ca -0.15 -3.67 -0.12 0.00 -0.03 0.00 0.00 56.01 52.03 1bfi n LEU 101 Cb 0.59 -1.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.04 1bfi n LEU 101 CO 0.28 0.38 -1.18 0.00 -1.33 0.00 0.00 177.39 175.54 1bfi n ALA 102 N 7.24 1.51 -3.60 -1.18 0.00 -1.26 -4.07 120.51 119.16 1bfi n ALA 102 Ca 0.51 -1.17 -0.35 0.00 0.00 0.00 0.00 53.44 52.42 1bfi n ALA 102 Cb 0.41 -0.12 -0.13 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.47 3.29 0.61 0.00 2.02 -0.88 -5.05 117.35 114.87 1bfi s TYR 103 Ca -0.18 -1.85 -0.19 0.00 -0.37 0.00 0.00 57.07 54.47 1bfi s TYR 103 Cb 0.07 -2.21 -0.02 0.00 -0.40 0.00 0.00 41.96 39.40 1bfi s TYR 103 CO 0.70 -0.81 1.33 -2.30 -1.57 0.00 0.00 175.55 172.90 1bfi n PRO 104 N 4.64 1.34 0.02 -1.71 -0.02 -1.26 -1.31 135.00 136.70 1bfi n PRO 104 Ca -0.12 0.51 -0.03 0.00 -2.02 0.00 0.00 63.50 61.83 1bfi n PRO 104 Cb 0.43 -2.56 0.20 0.00 -0.02 0.00 0.00 33.50 31.56 1bfi n PRO 104 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1bfi h VAL 105 N 0.87 1.26 -0.88 -1.45 3.04 -0.11 -2.95 116.25 116.04 1bfi h VAL 105 Ca -0.51 -1.26 -0.61 0.00 -1.01 0.00 0.00 66.70 63.31 1bfi h VAL 105 Cb 1.33 1.34 -0.34 0.00 -2.01 0.00 0.00 31.29 31.61 1bfi h VAL 105 CO 0.55 0.40 0.19 -1.22 -1.01 0.00 0.00 177.57 176.47 1bfi n TYR 106 N -4.12 2.97 -2.83 3.17 4.01 0.39 -4.91 117.16 115.84 1bfi n TYR 106 Ca -0.00 -2.65 -0.42 0.00 -0.16 0.00 0.00 57.90 54.67 1bfi n TYR 106 Cb 0.40 -0.98 -0.04 0.00 -0.31 0.00 0.00 39.34 38.41 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 -3.71 3.54 -1.49 -0.72 0.00 -1.12 -4.00 121.76 114.27 1bfi s ALA 107 Ca 0.59 -0.24 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 1bfi s ALA 107 Cb 0.47 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 20.21 1bfi s ALA 107 CO 0.01 -1.25 0.64 1.04 0.00 0.00 0.00 175.76 176.20 1bfi n GLN 108 N 6.39 -3.85 -4.13 0.00 1.13 -1.26 -4.94 117.38 110.73 1bfi n GLN 108 Ca 0.07 0.46 -0.35 0.00 -1.94 0.00 0.00 57.00 55.24 1bfi n GLN 108 Cb 0.48 -4.91 -0.09 0.00 0.11 0.00 0.00 30.24 25.82 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 -6.58 3.54 0.35 -1.09 -0.21 -1.26 -4.99 119.66 109.43 1bfi s GLN 109 Ca 0.29 -0.34 0.03 0.00 0.02 0.00 0.00 55.36 55.37 1bfi s GLN 109 Cb -0.16 -3.05 0.65 0.00 1.00 0.00 0.00 33.01 31.45 1bfi s GLN 109 CO 0.88 0.50 1.97 0.00 -2.12 0.00 0.00 175.29 176.52 1bfi h ARG 110 N 5.88 0.69 -0.03 2.91 3.08 -1.96 -3.51 114.38 121.45 1bfi h ARG 110 Ca -0.44 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1bfi h ARG 110 Cb 1.19 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1bfi h ARG 110 CO 0.63 0.53 0.00 -2.13 -1.07 0.00 0.00 179.97 177.93