#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 6.02 -0.02 1.62 1.01 -1.26 -4.99 116.67 119.05 1bfi s ASP 2 Ca 0.00 2.47 -0.14 0.00 0.71 0.00 0.00 52.55 55.59 1bfi s ASP 2 Cb 0.00 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 1bfi s ASP 2 CO 0.00 -1.03 0.39 -0.76 0.21 0.00 0.00 175.17 173.97 1bfi s LEU 3 N -3.00 4.45 0.00 1.23 1.43 -1.26 -4.95 118.68 116.59 1bfi s LEU 3 Ca 0.64 0.91 0.13 0.00 -1.03 0.00 0.00 54.13 54.78 1bfi s LEU 3 Cb -0.33 -2.54 0.73 0.00 0.03 0.00 0.00 46.19 44.08 1bfi s LEU 3 CO 0.40 0.31 1.29 -0.81 0.23 0.00 0.00 176.35 177.77 1bfi n PRO 4 N 1.96 0.30 0.20 1.29 -0.04 -1.26 -2.74 135.00 134.71 1bfi n PRO 4 Ca -0.14 0.09 0.03 0.00 -0.04 0.00 0.00 63.50 63.44 1bfi n PRO 4 Cb 0.52 -1.50 0.40 0.00 -0.04 0.00 0.00 33.50 32.88 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 0.00 0.54 3.86 -2.00 -1.14 115.15 116.41 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 0.06 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.53 1bfi h HIS 5 CO 0.00 0.33 -0.04 0.45 0.86 0.00 0.00 177.93 179.53 1bfi h HIS 6 N 0.00 0.00 -3.58 2.45 3.86 -1.94 -3.39 115.15 112.54 1bfi h HIS 6 Ca -0.00 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.59 1bfi h HIS 6 Cb 0.59 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.93 1bfi h HIS 6 CO 0.00 0.04 -0.01 -0.51 0.86 0.00 0.00 177.93 178.31 1bfi s ASP 7 N -5.73 6.44 0.14 2.45 1.01 -0.43 -4.95 116.67 115.60 1bfi s ASP 7 Ca -0.03 0.52 -0.11 0.00 0.71 0.00 0.00 52.55 53.64 1bfi s ASP 7 Cb 0.13 -2.28 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 1bfi s ASP 7 CO 0.51 -0.29 1.49 -0.08 0.21 0.00 0.00 175.17 177.01 1bfi h GLU 8 N 8.02 0.94 0.00 8.23 4.81 -1.82 -2.94 114.58 131.81 1bfi h GLU 8 Ca -0.29 -0.46 -0.00 0.00 -0.13 0.00 0.00 59.36 58.48 1bfi h GLU 8 Cb 1.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1bfi h GLU 8 CO 0.72 1.12 -0.01 1.57 -0.73 0.00 0.00 179.01 181.68 1bfi h LYS 9 N 0.76 0.00 -0.53 1.92 2.10 -1.93 1.16 116.57 120.06 1bfi h LYS 9 Ca 0.07 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.66 1bfi h LYS 9 Cb 0.91 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.22 1bfi h LYS 9 CO 0.08 0.01 0.07 1.79 -2.00 0.00 0.00 179.45 179.41 1bfi h THR 10 N 0.00 1.24 0.00 0.07 1.35 -1.72 -3.30 112.91 110.54 1bfi h THR 10 Ca -0.00 -0.92 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 1bfi h THR 10 Cb 0.21 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1bfi h THR 10 CO 0.00 0.33 -0.52 -2.67 -0.25 0.00 0.00 175.52 172.42 1bfi n TRP 11 N -4.24 0.00 -3.11 4.73 4.27 -0.99 0.11 117.44 118.21 1bfi n TRP 11 Ca 0.03 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.24 1bfi n TRP 11 Cb 0.26 -0.01 -0.06 0.00 -1.36 0.00 0.00 31.31 30.14 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 -1.57 6.58 -0.17 -0.67 2.47 0.40 0.27 114.94 122.24 1bfi s ASN 12 Ca 0.00 0.71 0.23 0.00 0.42 0.00 0.00 52.86 54.21 1bfi s ASN 12 Cb 0.01 -2.34 0.48 0.00 -1.45 0.00 0.00 41.25 37.95 1bfi s ASN 12 CO 0.03 -0.37 1.14 1.33 -3.72 0.00 0.00 177.10 175.52 1bfi n VAL 13 N 5.18 0.96 -0.28 -5.21 0.24 0.17 -4.48 118.33 114.93 1bfi n VAL 13 Ca -0.01 -2.37 0.26 0.00 -2.04 0.00 0.00 64.34 60.18 1bfi n VAL 13 Cb 0.49 0.99 0.60 0.00 -1.47 0.00 0.00 33.84 34.45 1bfi n VAL 13 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1bfi h GLY 14 N 1.98 0.66 1.81 7.63 0.00 -1.89 0.71 103.07 113.98 1bfi h GLY 14 Ca -0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1bfi h GLY 14 CO 0.18 -0.05 -0.05 1.48 0.00 0.00 0.00 176.54 178.09 1bfi h SER 15 N 0.24 0.22 -3.75 0.19 4.64 -1.92 -3.41 113.55 109.76 1bfi h SER 15 Ca 0.53 -0.03 -0.53 0.00 -0.47 0.00 0.00 61.79 61.28 1bfi h SER 15 Cb 1.62 -0.06 0.09 0.00 -0.31 0.00 0.00 62.40 63.75 1bfi h SER 15 CO -0.16 0.32 0.79 -0.55 -0.87 0.00 0.00 176.83 176.36 1bfi s SER 16 N -6.88 6.42 0.66 4.97 0.15 0.25 -4.99 113.70 114.28 1bfi s SER 16 Ca -0.06 2.96 -0.10 0.00 0.70 0.00 0.00 55.95 59.45 1bfi s SER 16 Cb 0.16 -2.66 0.01 0.00 -1.71 0.00 0.00 66.02 61.82 1bfi s SER 16 CO 0.72 -0.83 1.04 0.21 1.20 0.00 0.00 173.24 175.58 1bfi s ASN 17 N -0.00 5.59 0.20 5.45 2.47 -1.26 -4.79 114.94 122.59 1bfi s ASN 17 Ca 0.55 1.07 -0.11 0.00 0.42 0.00 0.00 52.86 54.79 1bfi s ASN 17 Cb -0.46 -1.95 0.19 0.00 -1.45 0.00 0.00 41.25 37.58 1bfi s ASN 17 CO 0.57 -1.20 1.80 0.03 -3.72 0.00 0.00 177.10 174.58 1bfi h ARG 18 N -0.49 0.60 -0.49 0.43 3.08 -1.95 0.54 114.38 116.10 1bfi h ARG 18 Ca -0.45 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 59.50 1bfi h ARG 18 Cb 1.25 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 1bfi h ARG 18 CO 0.63 0.39 0.07 -0.91 -1.07 0.00 0.00 179.97 179.08 1bfi h ASN 19 N 0.61 0.79 -0.57 7.04 4.21 -2.01 -2.14 115.58 123.51 1bfi h ASN 19 Ca 0.26 -0.27 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 1bfi h ASN 19 Cb 0.14 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 37.11 1bfi h ASN 19 CO -0.16 0.86 0.33 0.50 -1.29 0.00 0.00 177.43 177.66 1bfi h LYS 20 N 0.69 0.81 -0.75 0.81 1.63 -1.65 -1.43 116.57 116.67 1bfi h LYS 20 Ca 0.15 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.89 1bfi h LYS 20 Cb 0.41 -0.17 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 1bfi h LYS 20 CO 0.01 0.59 0.50 0.00 -3.45 0.00 0.00 179.45 177.10 1bfi h ALA 21 N 1.55 1.50 -0.53 5.00 0.00 0.70 -1.28 119.26 126.20 1bfi h ALA 21 Ca 0.21 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1bfi h ALA 21 Cb 0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 1bfi h ALA 21 CO -0.04 0.44 0.31 0.93 0.00 0.00 0.00 179.25 180.89 1bfi h GLU 22 N 0.98 0.59 -0.51 0.00 4.39 -0.92 1.29 114.58 120.40 1bfi h GLU 22 Ca 0.29 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.94 1bfi h GLU 22 Cb -0.05 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.45 1bfi h GLU 22 CO -0.07 0.39 0.26 -0.91 -1.16 0.00 0.00 179.01 177.52 1bfi h ASN 23 N 0.61 0.66 -0.72 1.42 -0.26 -1.29 2.17 115.58 118.16 1bfi h ASN 23 Ca 0.22 -0.12 -0.07 0.00 -0.56 0.00 0.00 56.30 55.78 1bfi h ASN 23 Cb 0.05 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.11 1bfi h ASN 23 CO -0.11 0.59 0.19 -0.07 -1.06 0.00 0.00 177.43 176.97 1bfi h LEU 24 N 0.68 1.07 -0.43 1.61 3.38 -0.17 -2.24 115.31 119.22 1bfi h LEU 24 Ca 0.18 -0.23 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 1bfi h LEU 24 Cb 0.09 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1bfi h LEU 24 CO -0.02 1.02 -0.78 -0.07 0.09 0.00 0.00 178.44 178.67 1bfi h LEU 25 N 1.08 0.00 -9.63 1.67 3.38 0.22 -3.40 115.31 108.63 1bfi h LEU 25 Ca 0.23 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.69 1bfi h LEU 25 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1bfi h LEU 25 CO -0.00 0.78 0.37 -0.13 0.09 0.00 0.00 178.44 179.55 1bfi s ARG 26 N -3.21 4.74 0.00 1.13 0.52 0.73 -3.23 118.95 119.62 1bfi s ARG 26 Ca -0.00 1.49 0.00 0.00 -0.52 0.00 0.00 55.73 56.69 1bfi s ARG 26 Cb 0.11 -3.34 0.00 0.00 0.52 0.00 0.00 34.95 32.24 1bfi s ARG 26 CO 0.79 0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.81 1bfi n GLY 27 N 2.01 1.03 3.83 -3.53 0.00 -1.26 -4.79 105.19 102.47 1bfi n GLY 27 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.64 3.83 0.84 1.61 -0.14 -1.20 -5.07 119.74 118.98 1bfi s LYS 28 Ca 0.00 0.17 -0.11 0.00 -1.36 0.00 0.00 55.97 54.67 1bfi s LYS 28 Cb 0.00 -3.25 0.10 0.00 -1.68 0.00 0.00 37.83 32.99 1bfi s LYS 28 CO 0.00 0.62 1.09 -0.98 -0.76 0.00 0.00 175.35 175.33 1bfi s ARG 29 N -0.73 1.67 0.46 1.68 1.70 -1.26 -4.93 118.95 117.54 1bfi s ARG 29 Ca 0.19 0.99 -0.25 0.00 -0.47 0.00 0.00 55.73 56.19 1bfi s ARG 29 Cb -0.14 -1.84 -0.08 0.00 -0.57 0.00 0.00 34.95 32.31 1bfi s ARG 29 CO 0.08 -2.00 1.44 -0.51 -1.08 0.00 0.00 175.30 173.23 1bfi s ASP 30 N -3.39 5.82 0.00 -2.89 1.01 -1.26 -2.81 116.67 113.15 1bfi s ASP 30 Ca 0.63 2.94 0.00 0.00 0.71 0.00 0.00 52.55 56.83 1bfi s ASP 30 Cb -0.18 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.10 1bfi s ASP 30 CO 0.57 -1.22 0.00 0.61 0.21 0.00 0.00 175.17 175.34 1bfi n GLY 31 N 0.58 1.85 3.74 0.21 0.00 -1.13 -4.93 105.19 105.50 1bfi n GLY 31 Ca 0.05 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.98 3.94 0.10 2.61 2.01 -1.12 0.10 115.64 121.30 1bfi s THR 32 Ca 0.00 1.68 -0.02 0.00 0.31 0.00 0.00 61.69 63.66 1bfi s THR 32 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1bfi s THR 32 CO 0.00 0.29 0.04 0.72 -0.69 0.00 0.00 174.62 174.98 1bfi s PHE 33 N -0.24 0.66 0.08 4.92 -0.71 -1.09 -2.30 117.98 119.31 1bfi s PHE 33 Ca 0.49 -1.11 0.03 0.00 -1.04 0.00 0.00 56.93 55.30 1bfi s PHE 33 Cb -0.29 -0.40 -0.03 0.00 -1.21 0.00 0.00 43.02 41.09 1bfi s PHE 33 CO 0.34 -0.48 -0.09 -0.48 -1.34 0.00 0.00 175.22 173.17 1bfi s LEU 34 N -2.98 2.38 -0.07 -1.99 0.05 0.46 -1.94 118.68 114.59 1bfi s LEU 34 Ca 0.16 -0.77 0.03 0.00 0.05 0.00 0.00 54.13 53.59 1bfi s LEU 34 Cb 0.07 -0.24 -0.02 0.00 -2.05 0.00 0.00 46.19 43.95 1bfi s LEU 34 CO -0.04 -0.27 -0.13 -0.69 -0.55 0.00 0.00 176.35 174.67 1bfi s VAL 35 N -2.33 3.14 0.24 1.48 1.01 0.76 -0.49 120.40 124.21 1bfi s VAL 35 Ca 0.02 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 1bfi s VAL 35 Cb -0.04 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1bfi s VAL 35 CO -0.01 0.58 0.44 0.00 0.00 0.00 0.00 175.10 176.11 1bfi s ARG 36 N -0.55 1.51 0.52 2.72 1.70 -0.19 0.46 118.95 125.12 1bfi s ARG 36 Ca 0.08 -1.29 0.09 0.00 -0.47 0.00 0.00 55.73 54.13 1bfi s ARG 36 Cb -0.12 0.45 0.06 0.00 -0.57 0.00 0.00 34.95 34.77 1bfi s ARG 36 CO 0.01 -0.61 0.68 -1.83 -1.08 0.00 0.00 175.30 172.47 1bfi s GLU 37 N -4.03 2.45 0.00 3.89 -1.05 -1.26 -1.53 118.70 117.17 1bfi s GLU 37 Ca 0.24 -1.56 0.03 0.00 -0.15 0.00 0.00 54.97 53.53 1bfi s GLU 37 Cb 0.00 -2.62 0.15 0.00 -0.44 0.00 0.00 34.13 31.23 1bfi s GLU 37 CO 0.09 -0.65 1.00 0.43 0.95 0.00 0.00 175.26 177.08 1bfi n SER 38 N -2.06 0.00 0.00 0.83 7.64 0.03 -4.78 113.62 115.28 1bfi n SER 38 Ca 0.11 -1.71 0.00 0.00 1.01 0.00 0.00 58.87 58.29 1bfi n SER 38 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1bfi n SER 38 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1bfi n SER 39 N -0.55 0.00 -0.06 6.43 3.41 -1.26 -3.92 113.62 117.67 1bfi n SER 39 Ca 0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1bfi n SER 39 Cb 0.01 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.80 1bfi n SER 39 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bfi n LYS 40 N 0.00 0.69 -3.02 4.33 5.02 -1.26 -4.94 118.16 118.98 1bfi n LYS 40 Ca 0.00 -0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 55.88 1bfi n LYS 40 Cb 0.00 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.43 1bfi n LYS 40 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1bfi s GLN 41 N -2.91 4.05 0.00 1.97 -0.21 -1.25 -4.93 119.66 116.38 1bfi s GLN 41 Ca -0.09 0.78 0.10 0.00 0.02 0.00 0.00 55.36 56.17 1bfi s GLN 41 Cb 0.09 -2.35 0.58 0.00 1.00 0.00 0.00 33.01 32.32 1bfi s GLN 41 CO 0.86 0.08 1.11 0.41 -2.12 0.00 0.00 175.29 175.63 1bfi n GLY 42 N -0.53 -0.67 3.77 3.09 0.00 -1.26 -3.91 105.19 105.68 1bfi n GLY 42 Ca 0.04 -0.06 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.52 2.68 -0.20 0.00 2.02 -0.76 -0.79 117.35 118.78 1bfi s TYR 44 Ca 0.49 -0.27 -0.27 0.00 -0.37 0.00 0.00 57.07 56.65 1bfi s TYR 44 Cb -0.21 -1.29 0.10 0.00 -0.40 0.00 0.00 41.96 40.16 1bfi s TYR 44 CO 0.27 0.57 0.88 0.00 -1.57 0.00 0.00 175.55 175.69 1bfi s ALA 45 N -2.36 -1.88 -0.04 3.71 0.00 -0.58 -0.51 121.76 120.10 1bfi s ALA 45 Ca 0.33 1.73 0.06 0.00 0.00 0.00 0.00 51.96 54.08 1bfi s ALA 45 Cb -0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 1bfi s ALA 45 CO 0.20 -0.30 -0.24 0.00 0.00 0.00 0.00 175.76 175.42 1bfi s SER 47 N -0.28 5.54 0.21 0.00 1.04 0.35 0.33 113.70 120.90 1bfi s SER 47 Ca 0.01 0.15 0.09 0.00 0.48 0.00 0.00 55.95 56.67 1bfi s SER 47 Cb -0.12 -1.58 -0.05 0.00 0.10 0.00 0.00 66.02 64.37 1bfi s SER 47 CO 0.02 0.31 -0.16 -0.69 0.98 0.00 0.00 173.24 173.70 1bfi s VAL 48 N -1.08 1.89 -0.14 5.02 1.01 -0.34 -0.40 120.40 126.35 1bfi s VAL 48 Ca 0.19 -2.18 -0.03 0.00 0.00 0.00 0.00 61.98 59.96 1bfi s VAL 48 Cb -0.12 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1bfi s VAL 48 CO 0.09 -0.50 -0.05 -0.69 0.00 0.00 0.00 175.10 173.95 1bfi s VAL 49 N -2.69 3.75 0.14 2.92 1.01 -0.97 0.44 120.40 125.00 1bfi s VAL 49 Ca 0.22 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.88 1bfi s VAL 49 Cb -0.03 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1bfi s VAL 49 CO 0.08 0.51 -0.22 -0.69 0.00 0.00 0.00 175.10 174.78 1bfi s VAL 50 N 0.23 1.96 -0.28 2.92 1.01 0.45 -2.82 120.40 123.87 1bfi s VAL 50 Ca -0.04 -1.77 0.05 0.00 0.00 0.00 0.00 61.98 60.22 1bfi s VAL 50 Cb -0.14 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.47 1bfi s VAL 50 CO 0.03 -0.11 0.95 -0.67 0.00 0.00 0.00 175.10 175.31 1bfi n ASP 51 N 0.70 0.12 -0.11 3.32 -0.08 -1.26 -1.41 116.55 117.84 1bfi n ASP 51 Ca -0.16 0.37 -0.23 0.00 -1.51 0.00 0.00 54.79 53.26 1bfi n ASP 51 Cb 0.55 -0.33 -0.08 0.00 2.34 0.00 0.00 41.12 43.60 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 -1.26 -0.34 3.82 0.27 0.00 -1.26 -5.10 105.19 101.32 1bfi n GLY 52 Ca -0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.84 1bfi n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bfi s GLU 53 N -2.39 2.01 -0.01 1.61 2.02 -0.50 -5.14 118.70 116.30 1bfi s GLU 53 Ca -0.29 -1.26 -0.20 0.00 0.02 0.00 0.00 54.97 53.24 1bfi s GLU 53 Cb 0.11 0.58 -0.05 0.00 0.10 0.00 0.00 34.13 34.87 1bfi s GLU 53 CO 0.37 -0.94 0.56 0.08 0.02 0.00 0.00 175.26 175.35 1bfi s VAL 54 N -2.60 4.94 0.30 2.63 1.01 -1.26 -0.41 120.40 125.01 1bfi s VAL 54 Ca 0.15 1.17 0.10 0.00 0.00 0.00 0.00 61.98 63.41 1bfi s VAL 54 Cb -0.05 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.38 1bfi s VAL 54 CO 0.10 0.43 -0.10 -0.54 0.00 0.00 0.00 175.10 174.99 1bfi s LYS 55 N -0.23 1.91 -0.63 2.72 3.01 0.17 -4.95 119.74 121.74 1bfi s LYS 55 Ca 0.30 -1.73 0.05 0.00 -1.01 0.00 0.00 55.97 53.58 1bfi s LYS 55 Cb -0.18 -1.87 0.20 0.00 -1.01 0.00 0.00 37.83 34.98 1bfi s LYS 55 CO 0.16 0.26 0.56 0.72 0.51 0.00 0.00 175.35 177.56 1bfi n HIS 56 N -0.78 2.59 -1.79 3.18 8.25 -1.26 -1.20 115.22 124.21 1bfi n HIS 56 Ca -0.05 -4.08 -0.38 0.00 -0.26 0.00 0.00 57.72 52.94 1bfi n HIS 56 Cb 0.61 -0.47 0.04 0.00 1.12 0.00 0.00 29.99 31.28 1bfi n HIS 56 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bfi s VAL 58 N -1.31 4.40 0.00 0.00 0.11 -1.26 -0.46 120.40 121.88 1bfi s VAL 58 Ca 0.72 -0.20 0.06 0.00 -2.93 0.00 0.00 61.98 59.63 1bfi s VAL 58 Cb -0.40 -2.90 -0.02 0.00 -1.53 0.00 0.00 36.38 31.53 1bfi s VAL 58 CO 0.47 0.55 -0.20 -0.63 -3.33 0.00 0.00 175.10 171.97 1bfi s ILE 59 N -0.38 1.58 -0.09 7.04 1.01 0.34 -4.78 121.20 125.92 1bfi s ILE 59 Ca 0.08 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 1bfi s ILE 59 Cb -0.12 -1.34 0.05 0.00 0.01 0.00 0.00 42.46 41.06 1bfi s ILE 59 CO 0.02 0.37 0.16 0.21 0.00 0.00 0.00 174.94 175.70 1bfi s ASN 60 N -0.68 0.76 -0.27 3.58 2.47 -1.15 -1.82 114.94 117.83 1bfi s ASN 60 Ca 0.07 0.32 -0.16 0.00 0.42 0.00 0.00 52.86 53.51 1bfi s ASN 60 Cb -0.08 0.29 -0.03 0.00 -1.45 0.00 0.00 41.25 39.98 1bfi s ASN 60 CO -0.00 -0.25 0.44 -0.54 -3.72 0.00 0.00 177.10 173.04 1bfi s LYS 61 N 2.30 4.00 0.15 0.43 1.02 -1.26 0.27 119.74 126.65 1bfi s LYS 61 Ca 0.03 0.14 -0.00 0.00 0.02 0.00 0.00 55.97 56.16 1bfi s LYS 61 Cb -0.12 -3.67 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 1bfi s LYS 61 CO -0.06 -0.34 0.06 0.99 -0.92 0.00 0.00 175.35 175.08 1bfi s THR 62 N 2.19 0.20 0.40 2.17 2.01 0.48 -4.85 115.64 118.24 1bfi s THR 62 Ca 0.18 -1.94 0.30 0.00 0.31 0.00 0.00 61.69 60.54 1bfi s THR 62 Cb -0.16 -2.13 0.46 0.00 0.01 0.00 0.00 72.50 70.68 1bfi s THR 62 CO 0.10 -0.40 1.38 0.00 -0.69 0.00 0.00 174.62 175.02 1bfi n ALA 63 N -0.15 1.23 -2.74 7.40 0.00 -1.26 -0.19 120.51 124.80 1bfi n ALA 63 Ca -0.05 0.76 -0.02 0.00 0.00 0.00 0.00 53.44 54.14 1bfi n ALA 63 Cb 0.64 -0.94 0.05 0.00 0.00 0.00 0.00 19.45 19.19 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 -4.44 1.32 -4.08 0.00 -1.04 -1.26 -5.09 114.28 99.69 1bfi n THR 64 Ca 0.36 -2.93 -0.08 0.00 -2.04 0.00 0.00 64.05 59.36 1bfi n THR 64 Cb 1.41 1.06 -0.10 0.00 -1.82 0.00 0.00 70.33 70.87 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 -3.68 0.46 0.00 3.41 0.00 0.73 -5.02 107.32 103.22 1bfi s GLY 65 Ca 0.30 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1bfi s GLY 65 CO -0.04 -1.21 0.00 -1.72 0.00 0.00 0.00 173.10 170.13 1bfi n TYR 66 N 0.38 0.00 0.00 1.90 4.01 0.76 -0.39 117.16 123.83 1bfi n TYR 66 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 1bfi n TYR 66 Cb 0.60 0.01 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 1.99 3.49 2.72 0.00 -1.12 -2.95 105.19 109.32 1bfi n GLY 67 Ca 0.00 -0.66 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 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 3.19 0.00 1.61 0.40 -1.26 -4.93 117.98 116.99 1bfi s PHE 68 Ca 0.00 -0.37 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 1bfi s PHE 68 Cb 0.00 -2.82 0.00 0.00 0.51 0.00 0.00 43.02 40.71 1bfi s PHE 68 CO 0.00 -0.65 0.00 0.00 0.70 0.00 0.00 175.22 175.27 1bfi n ALA 69 N 5.50 0.00 -2.43 5.36 0.00 -1.26 -3.75 120.51 123.93 1bfi n ALA 69 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 1bfi n ALA 69 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 1bfi n ALA 69 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bfi s GLU 70 N 0.00 1.55 0.25 0.00 0.41 0.86 -4.88 118.70 116.89 1bfi s GLU 70 Ca 0.00 -1.49 0.12 0.00 -0.41 0.00 0.00 54.97 53.19 1bfi s GLU 70 Cb 0.00 -1.87 0.86 0.00 -1.78 0.00 0.00 34.13 31.34 1bfi s GLU 70 CO 0.00 0.41 1.13 -2.30 -0.49 0.00 0.00 175.26 174.00 1bfi n PRO 71 N 0.31 -0.05 -0.08 0.39 -0.02 -1.26 0.29 135.00 134.58 1bfi n PRO 71 Ca -0.13 1.01 -0.13 0.00 -2.02 0.00 0.00 63.50 62.23 1bfi n PRO 71 Cb 0.56 -1.75 -0.05 0.00 -0.02 0.00 0.00 33.50 32.23 1bfi n PRO 71 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1bfi h TYR 72 N 0.00 0.65 -4.33 6.00 3.20 -2.05 -3.44 116.97 117.00 1bfi h TYR 72 Ca 0.56 -0.18 -0.64 0.00 3.14 0.00 0.00 58.73 61.61 1bfi h TYR 72 Cb 1.43 -0.14 -0.27 0.00 1.54 0.00 0.00 36.73 39.28 1bfi h TYR 72 CO -0.10 0.85 -0.86 0.54 -1.64 0.00 0.00 178.16 176.96 1bfi s ASN 73 N -6.31 2.77 -0.29 -2.11 2.20 0.83 -5.11 114.94 106.92 1bfi s ASN 73 Ca -0.13 -0.51 -0.01 0.00 -0.94 0.00 0.00 52.86 51.27 1bfi s ASN 73 Cb 0.07 -0.26 0.13 0.00 -2.00 0.00 0.00 41.25 39.19 1bfi s ASN 73 CO 0.79 0.23 0.26 -0.76 -2.94 0.00 0.00 177.10 174.68 1bfi s LEU 74 N -0.97 -0.03 0.01 3.54 1.43 -1.25 0.29 118.68 121.71 1bfi s LEU 74 Ca 0.09 -0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 51.96 1bfi s LEU 74 Cb -0.09 0.29 -0.03 0.00 0.03 0.00 0.00 46.19 46.38 1bfi s LEU 74 CO 0.01 -0.40 0.98 -0.31 0.23 0.00 0.00 176.35 176.87 1bfi s TYR 75 N 2.25 3.66 -0.09 0.29 1.51 -1.25 -4.95 117.35 118.78 1bfi s TYR 75 Ca 0.10 1.70 0.04 0.00 -1.01 0.00 0.00 57.07 57.89 1bfi s TYR 75 Cb -0.15 -3.12 -0.24 0.00 -0.11 0.00 0.00 41.96 38.34 1bfi s TYR 75 CO -0.33 -0.03 0.50 0.43 -1.11 0.00 0.00 175.55 175.02 1bfi n SER 76 N 3.84 1.42 -4.31 2.29 7.64 -1.26 -4.95 113.62 118.29 1bfi n SER 76 Ca 0.06 0.30 -0.20 0.00 1.01 0.00 0.00 58.87 60.04 1bfi n SER 76 Cb 0.51 -0.39 -0.11 0.00 -1.01 0.00 0.00 64.21 63.21 1bfi n SER 76 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1bfi s SER 77 N -6.50 2.45 0.36 6.43 0.01 -1.26 -5.03 113.70 110.17 1bfi s SER 77 Ca -0.13 -0.88 0.13 0.00 1.31 0.00 0.00 55.95 56.38 1bfi s SER 77 Cb 0.07 -0.13 0.69 0.00 0.21 0.00 0.00 66.02 66.87 1bfi s SER 77 CO 0.80 -0.09 1.81 -0.07 0.41 0.00 0.00 173.24 176.09 1bfi h LEU 78 N 3.20 0.00 -0.74 2.44 3.38 -1.98 -2.66 115.31 118.95 1bfi h LEU 78 Ca -0.41 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.59 1bfi h LEU 78 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1bfi h LEU 78 CO 0.53 0.39 0.47 0.11 0.09 0.00 0.00 178.44 180.04 1bfi h LYS 79 N 0.00 0.90 -0.25 1.13 1.57 -1.97 -0.40 116.57 117.55 1bfi h LYS 79 Ca -0.00 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.60 1bfi h LYS 79 Cb 0.71 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 1bfi h LYS 79 CO 0.05 0.60 -0.34 1.49 -0.57 0.00 0.00 179.45 180.68 1bfi h GLU 80 N 0.93 0.54 -0.08 3.15 4.57 -1.91 -2.49 114.58 119.29 1bfi h GLU 80 Ca 0.29 -0.24 0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1bfi h GLU 80 Cb -0.01 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1bfi h GLU 80 CO -0.10 0.81 0.03 1.25 -1.18 0.00 0.00 179.01 179.81 1bfi h LEU 81 N 0.46 0.04 -0.63 1.64 6.46 -0.85 -0.68 115.31 121.74 1bfi h LEU 81 Ca 0.05 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1bfi h LEU 81 Cb 0.81 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.71 1bfi h LEU 81 CO 0.07 0.03 0.36 0.58 -0.62 0.00 0.00 178.44 178.86 1bfi h VAL 82 N 0.07 1.19 0.13 1.05 2.07 -1.01 0.57 116.25 120.33 1bfi h VAL 82 Ca 0.03 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1bfi h VAL 82 Cb 0.01 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1bfi h VAL 82 CO -0.03 0.21 -0.06 -0.07 0.02 0.00 0.00 177.57 177.63 1bfi h LEU 83 N 0.86 -0.15 -0.49 2.57 3.38 -1.10 -2.57 115.31 117.81 1bfi h LEU 83 Ca 0.22 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.92 1bfi h LEU 83 Cb 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1bfi h LEU 83 CO -0.04 0.01 -0.57 -0.74 0.09 0.00 0.00 178.44 177.19 1bfi h HIS 84 N -0.31 0.71 -0.00 1.13 2.76 -1.01 -2.77 115.15 115.66 1bfi h HIS 84 Ca -0.02 -0.26 0.00 0.00 -2.20 0.00 0.00 60.37 57.89 1bfi h HIS 84 Cb 0.25 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 1bfi h HIS 84 CO -0.03 1.00 0.00 -0.92 -1.30 0.00 0.00 177.93 176.68 1bfi h TYR 85 N 0.43 0.00 0.00 5.26 3.20 0.24 0.35 116.97 126.44 1bfi h TYR 85 Ca 0.00 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 1bfi h TYR 85 Cb 1.12 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 1bfi h TYR 85 CO 0.05 0.00 -0.59 0.37 -1.64 0.00 0.00 178.16 176.35 1bfi h GLN 86 N 0.00 0.00 -0.01 1.82 -0.00 -1.16 -3.03 115.11 112.74 1bfi h GLN 86 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1bfi h GLN 86 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1bfi h GLN 86 CO -0.00 0.58 -0.67 1.58 0.00 0.00 0.00 178.83 180.32 1bfi n HIS 87 N -3.24 0.00 -3.71 3.99 -0.00 0.92 -4.34 115.22 108.84 1bfi n HIS 87 Ca 0.02 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.82 1bfi n HIS 87 Cb 0.77 -0.04 -0.06 0.00 -0.12 0.00 0.00 29.99 30.54 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 -2.76 5.29 -0.07 3.57 2.01 0.53 -5.06 115.64 119.15 1bfi s THR 88 Ca 0.14 0.49 -0.22 0.00 0.31 0.00 0.00 61.69 62.41 1bfi s THR 88 Cb 0.17 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1bfi s THR 88 CO 0.70 0.60 0.65 -0.55 -0.69 0.00 0.00 174.62 175.34 1bfi s SER 89 N -1.02 6.93 0.39 3.53 0.15 -1.26 -4.51 113.70 117.90 1bfi s SER 89 Ca 0.19 1.12 0.28 0.00 0.70 0.00 0.00 55.95 58.24 1bfi s SER 89 Cb -0.14 -2.39 1.07 0.00 -1.71 0.00 0.00 66.02 62.86 1bfi s SER 89 CO 0.08 -0.08 1.82 -0.07 1.20 0.00 0.00 173.24 176.19 1bfi h LEU 90 N 6.70 0.00 -0.88 3.45 4.07 -1.00 -3.28 115.31 124.37 1bfi h LEU 90 Ca -0.41 0.00 0.33 0.00 0.08 0.00 0.00 57.88 57.88 1bfi h LEU 90 Cb 1.19 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 42.77 1bfi h LEU 90 CO 0.75 0.00 0.34 0.55 -1.08 0.00 0.00 178.44 179.00 1bfi n VAL 91 N -2.65 -0.37 -0.33 1.22 3.14 1.76 0.18 118.33 121.28 1bfi n VAL 91 Ca 0.02 1.82 0.35 0.00 -2.96 0.00 0.00 64.34 63.57 1bfi n VAL 91 Cb 0.30 -2.87 0.74 0.00 -1.06 0.00 0.00 33.84 30.96 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 0.02 -6.22 1.45 4.15 -1.81 -1.35 115.11 111.35 1bfi h GLN 92 Ca 0.68 -0.00 -0.55 0.00 0.77 0.00 0.00 58.65 59.55 1bfi h GLN 92 Cb 1.71 -0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.36 1bfi h GLN 92 CO -0.72 0.01 0.22 -1.01 -1.93 0.00 0.00 178.83 175.41 1bfi s HIS 93 N -4.97 3.63 0.00 3.99 3.76 0.48 -3.10 115.29 119.08 1bfi s HIS 93 Ca -0.05 1.47 0.00 0.00 -0.15 0.00 0.00 55.06 56.33 1bfi s HIS 93 Cb 0.23 -2.95 0.00 0.00 1.11 0.00 0.00 32.58 30.97 1bfi s HIS 93 CO 0.81 0.06 0.00 0.09 -0.85 0.00 0.00 174.74 174.84 1bfi n ASN 94 N 3.76 -4.22 -3.39 1.40 3.02 -1.26 -2.36 115.26 112.21 1bfi n ASN 94 Ca 0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.35 1bfi n ASN 94 Cb 0.51 -3.02 -0.02 0.00 -0.61 0.00 0.00 39.78 36.64 1bfi n ASN 94 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1bfi n ASP 95 N -0.50 -2.67 -0.27 6.41 2.03 -0.56 -4.62 116.55 116.37 1bfi n ASP 95 Ca 0.00 -0.35 0.00 0.00 0.52 0.00 0.00 54.79 54.96 1bfi n ASP 95 Cb 0.35 -2.27 0.00 0.00 -0.72 0.00 0.00 41.12 38.48 1bfi n ASP 95 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1bfi n SER 96 N -2.12 0.00 -4.09 1.67 7.64 -0.88 -4.94 113.62 110.89 1bfi n SER 96 Ca 0.01 -1.08 -0.42 0.00 1.01 0.00 0.00 58.87 58.38 1bfi n SER 96 Cb 0.51 -0.02 -0.00 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 0.00 5.88 -4.57 -3.43 4.77 -1.19 -4.90 117.00 113.57 1bfi n LEU 97 Ca 0.00 -5.17 -0.41 0.00 -0.03 0.00 0.00 56.01 50.41 1bfi n LEU 97 Cb 0.52 -1.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.29 1bfi n LEU 97 CO 0.00 1.59 1.70 0.21 -1.33 0.00 0.00 177.39 179.56 1bfi s ASN 98 N -0.72 6.53 0.09 -1.43 3.04 -1.26 0.48 114.94 121.66 1bfi s ASN 98 Ca 0.31 -1.87 -0.26 0.00 0.04 0.00 0.00 52.86 51.08 1bfi s ASN 98 Cb -0.00 -2.57 0.08 0.00 -1.54 0.00 0.00 41.25 37.21 1bfi s ASN 98 CO 0.03 -1.48 0.85 0.54 -3.04 0.00 0.00 177.10 174.00 1bfi s VAL 99 N 5.14 0.00 -0.03 -5.21 0.11 -1.26 -4.82 120.40 114.33 1bfi s VAL 99 Ca 0.52 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 59.32 1bfi s VAL 99 Cb 0.01 -1.36 0.02 0.00 -1.53 0.00 0.00 36.38 33.53 1bfi s VAL 99 CO -0.01 0.00 -0.04 0.42 -3.33 0.00 0.00 175.10 172.14 1bfi s THR 100 N -3.32 0.46 -0.77 5.04 -4.23 -1.26 -0.93 115.64 110.63 1bfi s THR 100 Ca 0.07 -0.12 -0.24 0.00 -1.18 0.00 0.00 61.69 60.22 1bfi s THR 100 Cb -0.01 -0.48 -0.17 0.00 1.34 0.00 0.00 72.50 73.18 1bfi s THR 100 CO -0.05 0.19 2.43 -0.11 -0.54 0.00 0.00 174.62 176.54 1bfi n LEU 101 N 3.81 1.12 -0.11 4.79 7.94 -1.15 -4.47 117.00 128.93 1bfi n LEU 101 Ca -0.23 -0.65 -0.21 0.00 -1.11 0.00 0.00 56.01 53.81 1bfi n LEU 101 Cb 0.52 -1.29 -0.10 0.00 0.53 0.00 0.00 43.42 43.08 1bfi n LEU 101 CO 0.24 -1.67 -0.66 0.00 -1.11 0.00 0.00 177.39 174.19 1bfi n ALA 102 N 13.86 0.81 -2.80 1.96 0.00 0.29 -3.84 120.51 130.79 1bfi n ALA 102 Ca 0.51 -0.59 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 1bfi n ALA 102 Cb 0.34 -0.36 -0.15 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.39 1.31 0.96 0.00 2.02 -1.16 -4.99 117.35 113.11 1bfi s TYR 103 Ca -0.29 -0.31 -0.13 0.00 -0.37 0.00 0.00 57.07 55.97 1bfi s TYR 103 Cb 0.07 -0.88 0.05 0.00 -0.40 0.00 0.00 41.96 40.80 1bfi s TYR 103 CO 0.52 -0.09 0.44 -2.30 -1.57 0.00 0.00 175.55 172.56 1bfi n PRO 104 N 3.02 -0.38 0.10 -1.71 -0.02 -1.26 -2.68 135.00 132.05 1bfi n PRO 104 Ca -0.17 -0.07 -0.06 0.00 -2.02 0.00 0.00 63.50 61.19 1bfi n PRO 104 Cb 0.54 -1.89 0.06 0.00 -0.02 0.00 0.00 33.50 32.20 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 -1.62 1.47 -0.59 -1.45 3.04 -0.57 -3.17 116.25 113.36 1bfi h VAL 105 Ca -0.44 -2.38 -0.37 0.00 -1.01 0.00 0.00 66.70 62.50 1bfi h VAL 105 Cb 1.28 2.28 -0.23 0.00 -2.01 0.00 0.00 31.29 32.62 1bfi h VAL 105 CO 0.35 0.69 -0.08 -1.22 -1.01 0.00 0.00 177.57 176.30 1bfi n TYR 106 N -3.73 1.94 0.06 3.17 4.01 0.31 -4.64 117.16 118.28 1bfi n TYR 106 Ca -0.02 -2.02 -0.21 0.00 -0.16 0.00 0.00 57.90 55.50 1bfi n TYR 106 Cb 0.71 -0.64 -0.13 0.00 -0.31 0.00 0.00 39.34 38.98 1bfi n TYR 106 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bfi h ALA 107 N 1.46 0.00 0.00 -0.72 0.00 -1.58 -3.28 119.26 115.14 1bfi h ALA 107 Ca 0.34 -0.70 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 1bfi h ALA 107 Cb 1.54 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1bfi h ALA 107 CO 0.71 0.53 -0.38 1.96 0.00 0.00 0.00 179.25 182.07 1bfi h GLN 108 N 0.05 0.00 -5.52 0.00 4.20 -1.83 -3.41 115.11 108.60 1bfi h GLN 108 Ca -0.15 0.00 -0.60 0.00 0.06 0.00 0.00 58.65 57.97 1bfi h GLN 108 Cb 1.69 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 29.37 1bfi h GLN 108 CO 0.19 0.38 -0.14 -0.65 -0.67 0.00 0.00 178.83 177.94 1bfi s GLN 109 N -4.15 4.21 0.08 1.46 -0.21 -1.23 -5.06 119.66 114.75 1bfi s GLN 109 Ca -0.03 0.31 0.05 0.00 0.02 0.00 0.00 55.36 55.72 1bfi s GLN 109 Cb 0.14 -3.52 -0.03 0.00 1.00 0.00 0.00 33.01 30.60 1bfi s GLN 109 CO 0.72 -0.03 -0.15 1.03 -2.12 0.00 0.00 175.29 174.75 1bfi s ARG 110 N 1.25 0.85 0.00 2.91 0.52 -1.26 -4.94 118.95 118.28 1bfi s ARG 110 Ca 0.22 -0.98 0.12 0.00 -0.52 0.00 0.00 55.73 54.57 1bfi s ARG 110 Cb -0.15 -0.87 0.10 0.00 0.52 0.00 0.00 34.95 34.54 1bfi s ARG 110 CO 0.09 0.19 0.88 0.54 0.02 0.00 0.00 175.30 177.02