#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 5.36 0.04 -1.84 -4.77 -1.26 -4.99 116.67 109.21 1bfi s ASP 2 Ca 0.00 2.46 -0.20 0.00 -3.30 0.00 0.00 52.55 51.52 1bfi s ASP 2 Cb 0.00 -2.61 -0.06 0.00 -1.09 0.00 0.00 42.92 39.16 1bfi s ASP 2 CO 0.00 -1.48 0.57 -0.76 0.70 0.00 0.00 175.17 174.20 1bfi s LEU 3 N -3.78 4.48 0.16 2.11 2.01 -1.26 -4.93 118.68 117.48 1bfi s LEU 3 Ca 0.74 1.21 0.09 0.00 0.01 0.00 0.00 54.13 56.18 1bfi s LEU 3 Cb -0.32 -2.89 0.51 0.00 0.01 0.00 0.00 46.19 43.50 1bfi s LEU 3 CO 0.37 0.21 1.24 -2.65 1.01 0.00 0.00 176.35 176.52 1bfi n PRO 4 N 2.11 0.06 0.14 1.29 -0.02 -1.26 -2.27 135.00 135.05 1bfi n PRO 4 Ca -0.09 0.52 0.19 0.00 -2.02 0.00 0.00 63.50 62.10 1bfi n PRO 4 Cb 0.51 -1.79 0.78 0.00 -0.02 0.00 0.00 33.50 32.98 1bfi n PRO 4 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1bfi h HIS 5 N 0.00 0.00 0.00 6.00 3.86 -1.95 0.08 115.15 123.13 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 0.17 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 1bfi h HIS 5 CO 0.00 0.00 -0.06 0.45 0.86 0.00 0.00 177.93 179.18 1bfi h HIS 6 N 0.00 0.00 -3.18 2.45 3.86 -1.82 -3.41 115.15 113.04 1bfi h HIS 6 Ca 0.14 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 58.75 1bfi h HIS 6 Cb 0.79 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.16 1bfi h HIS 6 CO 0.00 0.06 -0.41 -0.51 0.86 0.00 0.00 177.93 177.93 1bfi s ASP 7 N -6.85 6.35 0.43 2.45 1.01 0.01 -4.96 116.67 115.12 1bfi s ASP 7 Ca -0.05 0.41 0.20 0.00 0.71 0.00 0.00 52.55 53.82 1bfi s ASP 7 Cb 0.16 -2.13 1.00 0.00 1.01 0.00 0.00 42.92 42.96 1bfi s ASP 7 CO 0.65 0.18 1.91 -0.33 0.21 0.00 0.00 175.17 177.79 1bfi h GLU 8 N 6.36 0.00 -0.48 8.23 5.08 -1.84 -2.77 114.58 129.16 1bfi h GLU 8 Ca -0.43 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.94 1bfi h GLU 8 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 1bfi h GLU 8 CO 0.73 0.26 0.32 1.57 -1.00 0.00 0.00 179.01 180.89 1bfi h LYS 9 N 0.00 0.59 0.00 2.33 2.10 -1.92 5.03 116.57 124.70 1bfi h LYS 9 Ca -0.00 -0.04 -0.05 0.00 -2.00 0.00 0.00 60.65 58.56 1bfi h LYS 9 Cb 0.57 -0.13 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1bfi h LYS 9 CO 0.03 0.39 -0.25 1.79 -2.00 0.00 0.00 179.45 179.42 1bfi h THR 10 N 0.61 0.81 0.00 0.07 1.35 -1.65 -3.35 112.91 110.76 1bfi h THR 10 Ca 0.18 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1bfi h THR 10 Cb -0.02 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1bfi h THR 10 CO -0.04 0.25 -0.71 -2.67 -0.25 0.00 0.00 175.52 172.09 1bfi n TRP 11 N -3.71 0.00 -3.35 4.73 4.27 -0.66 -0.43 117.44 118.28 1bfi n TRP 11 Ca -0.01 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.21 1bfi n TRP 11 Cb 0.36 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.25 1bfi n TRP 11 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1bfi s ASN 12 N -1.94 6.91 0.00 -0.67 4.22 1.63 0.25 114.94 125.35 1bfi s ASN 12 Ca 0.00 1.09 0.09 0.00 -2.14 0.00 0.00 52.86 51.89 1bfi s ASN 12 Cb 0.00 -2.31 -0.09 0.00 1.28 0.00 0.00 41.25 40.13 1bfi s ASN 12 CO 0.00 0.24 0.39 0.55 -2.04 0.00 0.00 177.10 176.24 1bfi n VAL 13 N 2.12 0.00 -1.21 3.54 3.14 -0.86 -4.38 118.33 120.68 1bfi n VAL 13 Ca -0.11 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 60.98 1bfi n VAL 13 Cb 0.51 1.00 0.00 0.00 -1.06 0.00 0.00 33.84 34.30 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 1.20 0.48 3.18 7.55 0.00 -1.26 -4.54 105.19 111.79 1bfi n GLY 14 Ca 0.02 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 1bfi n GLY 14 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bfi n SER 15 N -0.62 -7.20 -4.85 1.61 2.88 -1.26 -4.92 113.62 99.26 1bfi n SER 15 Ca 0.00 -0.38 -0.30 0.00 -1.33 0.00 0.00 58.87 56.87 1bfi n SER 15 Cb 0.30 -5.11 0.08 0.00 -0.75 0.00 0.00 64.21 58.74 1bfi n SER 15 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1bfi s SER 16 N -3.17 4.66 0.35 -3.46 1.04 -1.26 -4.82 113.70 107.04 1bfi s SER 16 Ca 0.19 1.08 -0.27 0.00 0.48 0.00 0.00 55.95 57.43 1bfi s SER 16 Cb -0.03 -1.75 -0.09 0.00 0.10 0.00 0.00 66.02 64.25 1bfi s SER 16 CO 0.75 -1.84 1.11 0.20 0.98 0.00 0.00 173.24 174.45 1bfi s ASN 17 N -4.23 6.89 0.36 7.02 0.01 -1.26 -4.82 114.94 118.92 1bfi s ASN 17 Ca 0.61 2.23 0.03 0.00 -0.71 0.00 0.00 52.86 55.02 1bfi s ASN 17 Cb -0.13 -2.61 0.69 0.00 0.41 0.00 0.00 41.25 39.61 1bfi s ASN 17 CO 0.52 -0.41 2.02 0.03 -1.51 0.00 0.00 177.10 177.75 1bfi h ARG 18 N 3.08 0.75 -0.47 -0.60 3.08 -1.94 0.11 114.38 118.38 1bfi h ARG 18 Ca -0.48 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.48 1bfi h ARG 18 Cb 1.22 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 1bfi h ARG 18 CO 0.64 0.51 0.15 -0.91 -1.07 0.00 0.00 179.97 179.28 1bfi h ASN 19 N 0.77 0.69 -0.28 7.04 2.35 -2.00 -1.14 115.58 123.01 1bfi h ASN 19 Ca 0.21 -0.21 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 1bfi h ASN 19 Cb -0.07 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 1bfi h ASN 19 CO -0.04 0.72 -0.28 0.50 -1.65 0.00 0.00 177.43 176.67 1bfi h LYS 20 N 0.63 0.78 -0.37 0.81 3.64 -1.72 -2.51 116.57 117.83 1bfi h LYS 20 Ca 0.15 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 1bfi h LYS 20 Cb 0.27 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1bfi h LYS 20 CO -0.00 0.97 0.24 0.00 -2.27 0.00 0.00 179.45 178.39 1bfi h ALA 21 N 1.01 1.74 -0.13 5.00 0.00 -0.42 -1.36 119.26 125.11 1bfi h ALA 21 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bfi h ALA 21 Cb 0.81 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1bfi h ALA 21 CO 0.07 0.24 0.07 1.49 0.00 0.00 0.00 179.25 181.12 1bfi h GLU 22 N 0.49 0.15 -0.89 0.00 4.81 -0.76 1.52 114.58 119.91 1bfi h GLU 22 Ca 0.13 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1bfi h GLU 22 Cb -0.05 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1bfi h GLU 22 CO -0.03 0.10 0.57 -0.97 -0.73 0.00 0.00 179.01 177.95 1bfi h ASN 23 N 0.16 1.03 -0.26 1.04 -1.24 -1.32 1.92 115.58 116.90 1bfi h ASN 23 Ca 0.05 -0.04 -0.10 0.00 0.71 0.00 0.00 56.30 56.93 1bfi h ASN 23 Cb -0.00 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.77 1bfi h ASN 23 CO -0.03 0.76 -0.16 -0.07 -1.29 0.00 0.00 177.43 176.65 1bfi h LEU 24 N 1.21 0.69 0.00 0.34 3.38 -0.27 -2.10 115.31 118.56 1bfi h LEU 24 Ca 0.32 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1bfi h LEU 24 Cb -0.12 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1bfi h LEU 24 CO -0.07 0.86 -0.35 0.18 0.09 0.00 0.00 178.44 179.15 1bfi n LEU 25 N -4.15 0.35 -4.80 1.67 4.77 0.51 -4.51 117.00 110.84 1bfi n LEU 25 Ca 0.01 0.16 -0.36 0.00 -0.03 0.00 0.00 56.01 55.78 1bfi n LEU 25 Cb 0.38 -0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1bfi n LEU 25 CO 0.43 0.08 -0.18 -0.13 -1.33 0.00 0.00 177.39 176.26 1bfi s ARG 26 N -3.00 3.76 0.00 3.23 1.81 0.64 -4.19 118.95 121.20 1bfi s ARG 26 Ca 0.12 -0.19 0.00 0.00 -1.72 0.00 0.00 55.73 53.94 1bfi s ARG 26 Cb 0.18 -3.27 0.00 0.00 -0.45 0.00 0.00 34.95 31.41 1bfi s ARG 26 CO 0.65 0.55 0.00 0.41 -0.68 0.00 0.00 175.30 176.23 1bfi n GLY 27 N 2.70 0.83 3.75 -3.53 0.00 -1.26 -4.79 105.19 102.89 1bfi n GLY 27 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.11 3.07 0.67 1.61 1.02 -1.26 -5.09 119.74 119.65 1bfi s LYS 28 Ca 0.00 -0.39 -0.16 0.00 0.02 0.00 0.00 55.97 55.44 1bfi s LYS 28 Cb 0.00 -2.87 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1bfi s LYS 28 CO 0.00 0.70 1.16 1.03 -0.92 0.00 0.00 175.35 177.32 1bfi s ARG 29 N -1.20 2.60 0.50 1.68 0.52 -1.26 -4.94 118.95 116.85 1bfi s ARG 29 Ca 0.17 1.62 -0.23 0.00 -0.52 0.00 0.00 55.73 56.76 1bfi s ARG 29 Cb -0.12 -1.90 -0.07 0.00 0.52 0.00 0.00 34.95 33.38 1bfi s ARG 29 CO 0.06 -1.45 1.33 -0.25 0.02 0.00 0.00 175.30 175.02 1bfi n ASP 30 N -2.33 2.70 0.00 0.23 8.00 -1.26 -2.78 116.55 121.10 1bfi n ASP 30 Ca 0.12 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.66 1bfi n ASP 30 Cb 0.51 -1.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 1bfi n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bfi n GLY 31 N 0.76 3.01 3.64 0.44 0.00 -1.05 -5.01 105.19 106.97 1bfi n GLY 31 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 4.88 0.20 2.61 2.01 -1.12 -2.09 115.64 119.49 1bfi s THR 32 Ca 0.00 1.43 0.00 0.00 0.31 0.00 0.00 61.69 63.43 1bfi s THR 32 Cb 0.00 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 1bfi s THR 32 CO 0.00 -0.04 0.08 0.72 -0.69 0.00 0.00 174.62 174.68 1bfi s PHE 33 N 2.74 1.26 0.04 4.92 -0.71 -1.01 -2.66 117.98 122.56 1bfi s PHE 33 Ca 0.32 -1.20 -0.01 0.00 -1.04 0.00 0.00 56.93 55.00 1bfi s PHE 33 Cb -0.15 -0.70 -0.03 0.00 -1.21 0.00 0.00 43.02 40.92 1bfi s PHE 33 CO 0.08 -0.41 -0.02 -0.48 -1.34 0.00 0.00 175.22 173.05 1bfi s LEU 34 N -3.20 2.37 -0.14 -1.99 0.05 -0.44 -2.38 118.68 112.95 1bfi s LEU 34 Ca 0.33 -0.84 -0.04 0.00 0.05 0.00 0.00 54.13 53.63 1bfi s LEU 34 Cb 0.07 0.21 -0.03 0.00 -2.05 0.00 0.00 46.19 44.38 1bfi s LEU 34 CO 0.09 -0.52 0.00 -0.69 -0.55 0.00 0.00 176.35 174.68 1bfi s VAL 35 N -3.21 4.26 0.28 1.48 1.01 0.69 -1.46 120.40 123.46 1bfi s VAL 35 Ca 0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.70 1bfi s VAL 35 Cb 0.03 -2.86 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1bfi s VAL 35 CO -0.07 0.52 0.45 -2.11 0.00 0.00 0.00 175.10 173.90 1bfi n ARG 36 N 3.04 0.65 -3.77 2.72 1.85 -0.38 -2.04 116.66 118.74 1bfi n ARG 36 Ca -0.18 -2.03 -0.21 0.00 -1.00 0.00 0.00 57.85 54.44 1bfi n ARG 36 Cb 0.53 2.11 -0.04 0.00 -1.05 0.00 0.00 32.46 34.01 1bfi n ARG 36 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 1bfi s GLU 37 N -2.44 2.67 0.00 2.89 2.12 -1.26 -0.62 118.70 122.06 1bfi s GLU 37 Ca 0.19 -1.36 0.00 0.00 0.36 0.00 0.00 54.97 54.16 1bfi s GLU 37 Cb -0.02 -2.44 0.00 0.00 0.26 0.00 0.00 34.13 31.93 1bfi s GLU 37 CO 0.14 0.03 0.42 0.43 -0.54 0.00 0.00 175.26 175.74 1bfi n SER 38 N -1.40 0.79 0.00 -1.70 7.64 0.16 -4.78 113.62 114.33 1bfi n SER 38 Ca -0.01 -1.63 0.00 0.00 1.01 0.00 0.00 58.87 58.25 1bfi n SER 38 Cb 0.60 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 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 0.08 0.00 -4.74 6.43 3.41 -1.26 -4.58 113.62 112.96 1bfi n SER 39 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 1bfi n SER 39 Cb 0.20 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.09 1bfi n SER 39 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1bfi s LYS 40 N 0.00 4.28 0.00 4.33 2.20 -1.26 -4.05 119.74 125.23 1bfi s LYS 40 Ca 0.00 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 1bfi s LYS 40 Cb 0.00 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1bfi s LYS 40 CO 0.00 0.24 0.00 0.94 -0.36 0.00 0.00 175.35 176.17 1bfi n GLN 41 N 3.40 0.00 -0.68 4.03 7.27 -1.26 -4.66 117.38 125.49 1bfi n GLN 41 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.98 1bfi n GLN 41 Cb 0.52 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.17 1bfi n GLN 41 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bfi n GLY 42 N 0.00 0.79 3.73 1.69 0.00 -1.26 -5.02 105.19 105.12 1bfi n GLY 42 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 0.06 3.28 -0.28 0.00 1.51 -0.61 0.39 117.35 121.71 1bfi s TYR 44 Ca 0.49 0.94 -0.24 0.00 -1.01 0.00 0.00 57.07 57.24 1bfi s TYR 44 Cb -0.25 -3.04 0.13 0.00 -0.11 0.00 0.00 41.96 38.69 1bfi s TYR 44 CO 0.31 -1.15 1.04 0.00 -1.11 0.00 0.00 175.55 174.64 1bfi s ALA 45 N -3.30 -2.00 -0.19 3.71 0.00 0.21 -0.50 121.76 119.69 1bfi s ALA 45 Ca 0.58 1.90 -0.05 0.00 0.00 0.00 0.00 51.96 54.39 1bfi s ALA 45 Cb -0.11 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 1bfi s ALA 45 CO 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 175.76 176.01 1bfi s SER 47 N 0.78 4.55 0.21 0.00 1.04 -0.53 0.18 113.70 119.93 1bfi s SER 47 Ca -0.00 -0.19 0.07 0.00 0.48 0.00 0.00 55.95 56.30 1bfi s SER 47 Cb -0.14 -1.73 -0.05 0.00 0.10 0.00 0.00 66.02 64.20 1bfi s SER 47 CO 0.02 0.17 -0.11 0.54 0.98 0.00 0.00 173.24 174.84 1bfi s VAL 48 N 0.37 1.57 -0.20 5.02 0.11 -0.66 -1.33 120.40 125.28 1bfi s VAL 48 Ca -0.06 -2.16 -0.09 0.00 -2.93 0.00 0.00 61.98 56.74 1bfi s VAL 48 Cb -0.15 -2.12 -0.05 0.00 -1.53 0.00 0.00 36.38 32.53 1bfi s VAL 48 CO 0.04 -0.53 0.10 -0.69 -3.33 0.00 0.00 175.10 170.69 1bfi s VAL 49 N -3.07 5.11 0.18 2.04 1.01 -1.09 -0.56 120.40 124.02 1bfi s VAL 49 Ca 0.24 0.08 0.10 0.00 0.00 0.00 0.00 61.98 62.40 1bfi s VAL 49 Cb 0.01 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1bfi s VAL 49 CO 0.07 0.44 -0.21 -0.69 0.00 0.00 0.00 175.10 174.71 1bfi s VAL 50 N 0.48 2.06 0.41 2.92 1.01 -0.79 -2.54 120.40 123.94 1bfi s VAL 50 Ca 0.06 -1.96 0.16 0.00 0.00 0.00 0.00 61.98 60.24 1bfi s VAL 50 Cb -0.12 -1.96 0.16 0.00 0.00 0.00 0.00 36.38 34.45 1bfi s VAL 50 CO -0.00 -0.21 1.41 -0.78 0.00 0.00 0.00 175.10 175.52 1bfi h ASP 51 N 3.25 0.00 0.00 3.32 1.82 -1.94 -1.25 116.42 121.63 1bfi h ASP 51 Ca -0.44 0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.09 1bfi h ASP 51 Cb 1.21 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.20 1bfi h ASP 51 CO 0.49 0.00 -1.07 0.61 -1.61 0.00 0.00 179.24 177.66 1bfi n GLY 52 N -1.29 -0.74 3.78 -0.78 0.00 -1.26 -5.08 105.19 99.82 1bfi n GLY 52 Ca -0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 1bfi n GLY 52 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bfi s GLU 53 N -2.50 1.32 0.23 1.61 -1.05 -0.47 -5.13 118.70 112.70 1bfi s GLU 53 Ca -0.25 -0.74 -0.30 0.00 -0.15 0.00 0.00 54.97 53.54 1bfi s GLU 53 Cb 0.05 0.45 -0.09 0.00 -0.44 0.00 0.00 34.13 34.10 1bfi s GLU 53 CO 0.38 -0.61 1.16 0.14 0.95 0.00 0.00 175.26 177.29 1bfi s VAL 54 N -3.37 3.51 0.17 1.83 -7.23 -1.26 -1.89 120.40 112.16 1bfi s VAL 54 Ca 0.12 1.37 0.08 0.00 -1.81 0.00 0.00 61.98 61.75 1bfi s VAL 54 Cb -0.02 -3.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.00 1bfi s VAL 54 CO 0.03 0.27 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.38 1bfi s LYS 55 N -0.79 1.29 -0.67 4.82 1.02 0.28 -4.93 119.74 120.75 1bfi s LYS 55 Ca 0.49 -1.44 0.05 0.00 0.02 0.00 0.00 55.97 55.09 1bfi s LYS 55 Cb -0.33 -1.30 0.19 0.00 -0.52 0.00 0.00 37.83 35.87 1bfi s LYS 55 CO 0.39 0.25 0.53 0.72 -0.92 0.00 0.00 175.35 176.33 1bfi n HIS 56 N 0.16 2.94 -1.72 3.18 8.25 -1.26 -1.65 115.22 125.13 1bfi n HIS 56 Ca -0.12 -4.20 -0.43 0.00 -0.26 0.00 0.00 57.72 52.72 1bfi n HIS 56 Cb 0.58 -0.54 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 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 0.77 4.22 -0.07 0.00 1.01 -1.26 0.19 120.40 125.25 1bfi s VAL 58 Ca 0.72 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.52 1bfi s VAL 58 Cb -0.53 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1bfi s VAL 58 CO 0.38 0.43 -0.21 0.27 0.00 0.00 0.00 175.10 175.97 1bfi s ILE 59 N 0.88 2.42 -0.06 2.22 -4.36 0.34 -4.17 121.20 118.47 1bfi s ILE 59 Ca 0.02 -0.93 0.04 0.00 -0.26 0.00 0.00 60.65 59.53 1bfi s ILE 59 Cb -0.14 -1.92 -0.00 0.00 1.25 0.00 0.00 42.46 41.64 1bfi s ILE 59 CO 0.02 0.56 -0.19 0.54 0.24 0.00 0.00 174.94 176.11 1bfi s ASN 60 N -0.11 2.47 -0.27 4.36 2.20 -0.43 -1.57 114.94 121.59 1bfi s ASN 60 Ca -0.04 -0.42 -0.11 0.00 -0.94 0.00 0.00 52.86 51.36 1bfi s ASN 60 Cb -0.14 -0.81 -0.05 0.00 -2.00 0.00 0.00 41.25 38.25 1bfi s ASN 60 CO 0.04 0.16 0.18 -1.59 -2.94 0.00 0.00 177.10 172.95 1bfi s LYS 61 N 0.12 3.95 0.03 3.55 -2.85 -1.26 0.22 119.74 123.50 1bfi s LYS 61 Ca -0.07 -0.32 -0.06 0.00 -1.00 0.00 0.00 55.97 54.51 1bfi s LYS 61 Cb -0.14 -3.63 -0.01 0.00 -2.06 0.00 0.00 37.83 32.00 1bfi s LYS 61 CO 0.04 -0.15 0.11 0.99 0.10 0.00 0.00 175.35 176.44 1bfi s THR 62 N 1.66 0.12 0.18 3.79 2.01 -0.75 -4.87 115.64 117.79 1bfi s THR 62 Ca 0.07 -0.99 0.05 0.00 0.31 0.00 0.00 61.69 61.13 1bfi s THR 62 Cb -0.16 -0.78 0.21 0.00 0.01 0.00 0.00 72.50 71.78 1bfi s THR 62 CO 0.10 -0.55 0.84 0.00 -0.69 0.00 0.00 174.62 174.32 1bfi n ALA 63 N 0.92 0.39 -1.26 7.40 0.00 -1.26 0.24 120.51 126.94 1bfi n ALA 63 Ca -0.20 0.56 0.09 0.00 0.00 0.00 0.00 53.44 53.89 1bfi n ALA 63 Cb 0.58 -0.47 0.16 0.00 0.00 0.00 0.00 19.45 19.71 1bfi n ALA 63 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1bfi n THR 64 N -4.47 1.91 -4.45 0.00 -2.24 -1.26 -5.05 114.28 98.72 1bfi n THR 64 Ca 0.16 -2.48 -0.22 0.00 -2.27 0.00 0.00 64.05 59.24 1bfi n THR 64 Cb 0.53 -0.21 -0.11 0.00 -2.10 0.00 0.00 70.33 68.44 1bfi n THR 64 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bfi s GLY 65 N -2.93 2.08 0.00 3.38 0.00 0.65 -5.02 107.32 105.49 1bfi s GLY 65 Ca 0.33 -2.06 0.00 0.00 0.00 0.00 0.00 44.72 42.99 1bfi s GLY 65 CO -0.00 -1.82 0.00 -1.72 0.00 0.00 0.00 173.10 169.56 1bfi n TYR 66 N -0.69 0.00 -1.09 1.90 4.01 0.60 -1.81 117.16 120.08 1bfi n TYR 66 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1bfi n TYR 66 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.70 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 -0.30 0.50 0.00 2.72 0.00 -1.01 -1.32 105.19 105.78 1bfi n GLY 67 Ca 0.00 -1.69 0.06 0.00 0.00 0.00 0.00 46.02 44.38 1bfi n GLY 67 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1bfi n PHE 68 N 9.00 0.00 -1.57 1.61 -1.74 -1.26 -4.77 117.46 118.73 1bfi n PHE 68 Ca 0.00 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.46 1bfi n PHE 68 Cb 0.00 -0.09 -0.00 0.00 1.52 0.00 0.00 39.48 40.91 1bfi n PHE 68 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1bfi n ALA 69 N -1.09 -0.39 -2.68 1.98 0.00 -1.26 -4.97 120.51 112.09 1bfi n ALA 69 Ca 0.07 0.29 -0.35 0.00 0.00 0.00 0.00 53.44 53.46 1bfi n ALA 69 Cb 0.05 -1.98 -0.10 0.00 0.00 0.00 0.00 19.45 17.42 1bfi n ALA 69 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1bfi s GLU 70 N -1.71 2.99 0.39 0.00 2.12 -1.26 -4.93 118.70 116.30 1bfi s GLU 70 Ca 0.61 -0.45 0.26 0.00 0.36 0.00 0.00 54.97 55.74 1bfi s GLU 70 Cb -0.64 -2.75 1.38 0.00 0.26 0.00 0.00 34.13 32.37 1bfi s GLU 70 CO 0.58 0.65 1.52 -2.30 -0.54 0.00 0.00 175.26 175.17 1bfi n PRO 71 N 2.30 -0.05 -0.07 4.30 -0.02 -1.26 0.23 135.00 140.44 1bfi n PRO 71 Ca -0.18 1.28 -0.02 0.00 -2.02 0.00 0.00 63.50 62.56 1bfi n PRO 71 Cb 0.53 -2.40 0.24 0.00 -0.02 0.00 0.00 33.50 31.85 1bfi n PRO 71 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 1bfi h TYR 72 N 0.00 0.70 0.00 6.00 0.05 -2.02 -3.35 116.97 118.35 1bfi h TYR 72 Ca 0.84 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 59.55 1bfi h TYR 72 Cb 2.46 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 40.00 1bfi h TYR 72 CO -0.01 0.63 0.00 0.09 -1.05 0.00 0.00 178.16 177.83 1bfi n ASN 73 N -4.27 0.00 -1.55 3.88 3.02 0.63 -4.57 115.26 112.40 1bfi n ASN 73 Ca 0.03 0.07 -0.02 0.00 -0.03 0.00 0.00 54.58 54.63 1bfi n ASN 73 Cb 0.24 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 1bfi n ASN 73 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1bfi n LEU 74 N -0.36 -0.70 -0.22 3.41 4.77 -1.05 -4.62 117.00 118.23 1bfi n LEU 74 Ca 0.00 -0.45 -0.08 0.00 -0.03 0.00 0.00 56.01 55.46 1bfi n LEU 74 Cb 0.00 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1bfi n LEU 74 CO 0.00 -0.59 0.95 0.22 -1.33 0.00 0.00 177.39 176.64 1bfi h TYR 75 N 3.57 1.01 0.00 -1.77 3.20 -1.83 -3.45 116.97 117.70 1bfi h TYR 75 Ca 0.00 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.77 1bfi h TYR 75 Cb 0.39 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1bfi h TYR 75 CO 0.59 0.83 0.00 -1.13 -1.64 0.00 0.00 178.16 176.81 1bfi n SER 76 N -4.37 0.00 -3.81 -2.11 3.41 -1.26 -5.16 113.62 100.32 1bfi n SER 76 Ca 0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.51 1bfi n SER 76 Cb 0.22 0.41 -0.08 0.00 -0.26 0.00 0.00 64.21 64.49 1bfi n SER 76 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1bfi s SER 77 N -1.95 0.61 0.36 4.04 1.04 -1.26 -5.03 113.70 111.51 1bfi s SER 77 Ca 0.00 -1.43 0.03 0.00 0.48 0.00 0.00 55.95 55.04 1bfi s SER 77 Cb 0.00 0.50 0.67 0.00 0.10 0.00 0.00 66.02 67.29 1bfi s SER 77 CO 0.00 -1.01 2.01 -0.07 0.98 0.00 0.00 173.24 175.15 1bfi h LEU 78 N 2.37 0.67 -0.44 2.42 3.38 -2.00 -2.24 115.31 119.46 1bfi h LEU 78 Ca -0.31 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.72 1bfi h LEU 78 Cb 1.24 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 1bfi h LEU 78 CO 0.44 0.50 -0.03 0.50 0.09 0.00 0.00 178.44 179.94 1bfi h LYS 79 N 0.78 0.08 0.00 1.13 3.64 -1.96 0.31 116.57 120.54 1bfi h LYS 79 Ca 0.21 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1bfi h LYS 79 Cb -0.07 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1bfi h LYS 79 CO -0.04 0.05 -0.02 0.93 -2.27 0.00 0.00 179.45 178.10 1bfi h GLU 80 N 0.08 0.00 -0.34 1.90 5.08 -1.89 -3.10 114.58 116.31 1bfi h GLU 80 Ca 0.22 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 1bfi h GLU 80 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1bfi h GLU 80 CO -0.38 0.02 -0.06 1.25 -1.00 0.00 0.00 179.01 178.83 1bfi h LEU 81 N 0.00 0.64 -0.41 1.33 6.46 0.14 0.46 115.31 123.93 1bfi h LEU 81 Ca -0.00 -0.35 -0.05 0.00 -0.12 0.00 0.00 57.88 57.36 1bfi h LEU 81 Cb 0.73 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.47 1bfi h LEU 81 CO 0.00 0.85 0.07 1.62 -0.62 0.00 0.00 178.44 180.36 1bfi h VAL 82 N 0.43 1.24 -0.32 1.05 3.04 -1.11 -0.17 116.25 120.41 1bfi h VAL 82 Ca 0.09 -0.87 -0.08 0.00 -1.01 0.00 0.00 66.70 64.83 1bfi h VAL 82 Cb 0.55 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.84 1bfi h VAL 82 CO 0.03 0.30 -0.10 0.25 -1.01 0.00 0.00 177.57 177.04 1bfi h LEU 83 N 0.54 0.64 -0.90 3.16 5.85 -1.49 -2.84 115.31 120.27 1bfi h LEU 83 Ca 0.13 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 1bfi h LEU 83 Cb 0.37 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1bfi h LEU 83 CO 0.01 0.87 0.48 -0.74 -0.34 0.00 0.00 178.44 178.71 1bfi h HIS 84 N 0.40 1.24 0.00 1.25 2.76 0.08 -1.48 115.15 119.40 1bfi h HIS 84 Ca 0.08 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.18 1bfi h HIS 84 Cb 0.60 -0.39 -0.00 0.00 1.55 0.00 0.00 27.41 29.16 1bfi h HIS 84 CO 0.05 0.87 -0.13 1.88 -1.30 0.00 0.00 177.93 179.30 1bfi h TYR 85 N 1.26 0.00 -0.37 5.26 -1.99 -0.91 -0.63 116.97 119.59 1bfi h TYR 85 Ca 0.31 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.98 1bfi h TYR 85 Cb 0.05 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.76 1bfi h TYR 85 CO 0.01 0.13 -0.03 0.37 -0.00 0.00 0.00 178.16 178.64 1bfi h GLN 86 N 0.00 0.60 0.00 4.88 4.15 -1.03 -2.69 115.11 121.02 1bfi h GLN 86 Ca -0.00 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.27 1bfi h GLN 86 Cb 0.28 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.89 1bfi h GLN 86 CO 0.02 0.64 -1.01 1.58 -1.93 0.00 0.00 178.83 178.13 1bfi n HIS 87 N -4.24 0.73 -3.70 3.99 -0.00 -0.67 -4.52 115.22 106.80 1bfi n HIS 87 Ca 0.02 0.21 -0.37 0.00 0.46 0.00 0.00 57.72 58.04 1bfi n HIS 87 Cb 0.28 -0.80 -0.11 0.00 -0.12 0.00 0.00 29.99 29.24 1bfi n HIS 87 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1bfi s THR 88 N -3.32 5.05 0.17 3.57 2.01 -0.33 -5.06 115.64 117.73 1bfi s THR 88 Ca 0.01 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 1bfi s THR 88 Cb 0.11 -3.36 -0.08 0.00 0.01 0.00 0.00 72.50 69.18 1bfi s THR 88 CO 0.79 0.33 1.23 -0.55 -0.69 0.00 0.00 174.62 175.72 1bfi s SER 89 N 1.32 7.04 0.18 3.53 0.15 -1.26 -4.67 113.70 119.99 1bfi s SER 89 Ca 0.06 2.24 -0.13 0.00 0.70 0.00 0.00 55.95 58.82 1bfi s SER 89 Cb -0.15 -2.60 0.08 0.00 -1.71 0.00 0.00 66.02 61.65 1bfi s SER 89 CO 0.06 -0.43 1.82 -0.07 1.20 0.00 0.00 173.24 175.82 1bfi h LEU 90 N 5.57 0.71 0.00 3.45 3.38 -1.07 -3.39 115.31 123.95 1bfi h LEU 90 Ca -0.44 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1bfi h LEU 90 Cb 1.21 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1bfi h LEU 90 CO 0.77 0.56 0.00 0.52 0.09 0.00 0.00 178.44 180.37 1bfi n VAL 91 N -4.63 0.00 -1.96 1.22 0.31 1.71 -4.71 118.33 110.27 1bfi n VAL 91 Ca 0.04 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.41 1bfi n VAL 91 Cb 0.05 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.97 1bfi n VAL 91 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1bfi n GLN 92 N 0.00 -0.64 -0.31 5.55 7.27 -1.26 -2.57 117.38 125.42 1bfi n GLN 92 Ca 0.00 0.42 -0.00 0.00 0.07 0.00 0.00 57.00 57.49 1bfi n GLN 92 Cb 0.00 -0.78 0.18 0.00 2.41 0.00 0.00 30.24 32.04 1bfi n GLN 92 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1bfi h HIS 93 N -0.29 1.12 -0.43 3.69 -0.00 -2.01 0.12 115.15 117.34 1bfi h HIS 93 Ca 0.01 0.03 0.13 0.00 -0.00 0.00 0.00 60.37 60.53 1bfi h HIS 93 Cb 0.29 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 27.30 1bfi h HIS 93 CO 0.00 0.69 0.34 -0.97 -0.00 0.00 0.00 177.93 178.00 1bfi h ASN 94 N 1.20 0.00 -4.66 3.26 -0.73 -1.95 -3.45 115.58 109.25 1bfi h ASN 94 Ca 0.34 0.00 -0.38 0.00 1.87 0.00 0.00 56.30 58.12 1bfi h ASN 94 Cb -0.11 0.00 0.08 0.00 0.27 0.00 0.00 38.32 38.57 1bfi h ASN 94 CO -0.08 0.00 -0.60 0.47 -0.37 0.00 0.00 177.43 176.85 1bfi n ASP 95 N -4.20 -5.98 0.00 1.15 8.00 0.41 -4.85 116.55 111.08 1bfi n ASP 95 Ca 0.07 -0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.23 1bfi n ASP 95 Cb 0.54 -4.74 0.00 0.00 -0.02 0.00 0.00 41.12 36.90 1bfi n ASP 95 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1bfi n SER 96 N -2.43 0.07 -3.69 -2.24 3.41 -1.20 -4.88 113.62 102.66 1bfi n SER 96 Ca -0.07 -1.00 -0.41 0.00 -0.26 0.00 0.00 58.87 57.12 1bfi n SER 96 Cb 0.60 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.56 1bfi n SER 96 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1bfi n LEU 97 N -0.00 7.19 -3.71 1.04 4.77 -1.17 -4.87 117.00 120.25 1bfi n LEU 97 Ca 0.00 -5.36 -0.42 0.00 -0.03 0.00 0.00 56.01 50.20 1bfi n LEU 97 Cb 0.25 -1.18 -0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1bfi n LEU 97 CO 0.00 1.99 2.69 -3.20 -1.33 0.00 0.00 177.39 177.54 1bfi n ASN 98 N 0.17 4.29 -3.68 -1.43 2.85 -1.26 0.47 115.26 116.67 1bfi n ASN 98 Ca 0.43 -2.84 -0.15 0.00 -0.11 0.00 0.00 54.58 51.91 1bfi n ASN 98 Cb 0.27 -1.64 -0.08 0.00 1.24 0.00 0.00 39.78 39.58 1bfi n ASN 98 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1bfi s VAL 99 N 2.92 0.04 0.16 3.44 1.01 -1.26 -4.92 120.40 121.79 1bfi s VAL 99 Ca 0.48 -0.31 0.11 0.00 0.00 0.00 0.00 61.98 62.26 1bfi s VAL 99 Cb 0.14 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1bfi s VAL 99 CO -0.08 -0.17 -0.25 0.42 0.00 0.00 0.00 175.10 175.02 1bfi s THR 100 N -1.23 2.33 -1.20 3.92 -4.23 -1.26 -1.89 115.64 112.09 1bfi s THR 100 Ca -0.12 -1.88 -0.16 0.00 -1.18 0.00 0.00 61.69 58.34 1bfi s THR 100 Cb -0.03 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 1bfi s THR 100 CO 0.06 -0.01 2.15 0.18 -0.54 0.00 0.00 174.62 176.46 1bfi n LEU 101 N 0.59 5.89 -0.05 4.79 4.77 -1.17 -4.48 117.00 127.34 1bfi n LEU 101 Ca -0.15 -3.65 0.03 0.00 -0.03 0.00 0.00 56.01 52.20 1bfi n LEU 101 Cb 0.54 -1.43 -0.16 0.00 -2.33 0.00 0.00 43.42 40.04 1bfi n LEU 101 CO 0.26 0.61 -0.91 0.00 -1.33 0.00 0.00 177.39 176.02 1bfi n ALA 102 N 6.39 2.28 -3.71 -1.18 0.00 -1.24 -3.94 120.51 119.10 1bfi n ALA 102 Ca 0.52 -0.84 -0.35 0.00 0.00 0.00 0.00 53.44 52.78 1bfi n ALA 102 Cb 0.38 -0.51 -0.13 0.00 0.00 0.00 0.00 19.45 19.18 1bfi n ALA 102 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 1bfi s TYR 103 N -3.10 3.42 0.51 0.00 5.04 -0.89 -5.03 117.35 117.31 1bfi s TYR 103 Ca -0.09 -2.15 -0.23 0.00 -2.44 0.00 0.00 57.07 52.16 1bfi s TYR 103 Cb 0.11 -2.57 -0.06 0.00 0.35 0.00 0.00 41.96 39.79 1bfi s TYR 103 CO 0.87 -0.87 1.39 -2.30 -1.34 0.00 0.00 175.55 173.29 1bfi n PRO 104 N 4.58 1.89 0.27 4.97 -0.02 -1.26 -2.41 135.00 143.03 1bfi n PRO 104 Ca -0.08 0.69 0.15 0.00 -2.02 0.00 0.00 63.50 62.24 1bfi n PRO 104 Cb 0.43 -2.60 0.72 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.74 0.33 -2.21 -1.45 3.04 -0.77 -3.17 116.25 113.75 1bfi h VAL 105 Ca -0.51 -0.59 -0.58 0.00 -1.01 0.00 0.00 66.70 64.01 1bfi h VAL 105 Cb 1.29 1.44 -0.42 0.00 -2.01 0.00 0.00 31.29 31.60 1bfi h VAL 105 CO 0.58 0.09 -0.73 -1.22 -1.01 0.00 0.00 177.57 175.29 1bfi n TYR 106 N -3.35 3.19 0.00 3.17 4.01 0.42 -5.03 117.16 119.57 1bfi n TYR 106 Ca -0.01 -3.99 0.00 0.00 -0.16 0.00 0.00 57.90 53.74 1bfi n TYR 106 Cb 0.28 -0.49 0.00 0.00 -0.31 0.00 0.00 39.34 38.82 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 0.21 0.00 -1.16 -0.72 0.00 -1.20 -4.16 120.51 113.49 1bfi n ALA 107 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1bfi n ALA 107 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 1bfi n ALA 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1bfi n GLN 108 N 0.00 2.27 -3.36 0.00 6.02 -1.26 -4.67 117.38 116.38 1bfi n GLN 108 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.79 1bfi n GLN 108 Cb 0.00 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.32 1bfi n GLN 108 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1bfi n GLN 109 N 0.00 -6.36 -4.14 -1.09 6.02 -1.26 -5.01 117.38 105.54 1bfi n GLN 109 Ca 0.00 0.69 -0.13 0.00 -0.01 0.00 0.00 57.00 57.55 1bfi n GLN 109 Cb 0.00 -5.31 -0.11 0.00 1.02 0.00 0.00 30.24 25.85 1bfi n GLN 109 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1bfi s ARG 110 N -6.03 0.75 0.00 -1.09 0.52 -1.26 -5.24 118.95 106.61 1bfi s ARG 110 Ca 0.46 -1.07 0.00 0.00 -0.52 0.00 0.00 55.73 54.60 1bfi s ARG 110 Cb -0.20 -0.42 0.00 0.00 0.52 0.00 0.00 34.95 34.85 1bfi s ARG 110 CO 0.57 0.06 0.00 -2.13 0.02 0.00 0.00 175.30 173.82