#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 0.04 4.31 2.15 -1.26 -5.02 116.67 123.45 1bfi s ASP 2 Ca 0.00 2.28 -0.11 0.00 0.43 0.00 0.00 52.55 55.15 1bfi s ASP 2 Cb 0.00 -2.61 -0.06 0.00 -0.30 0.00 0.00 42.92 39.96 1bfi s ASP 2 CO 0.00 -0.64 0.38 -0.76 -0.17 0.00 0.00 175.17 173.98 1bfi s LEU 3 N -2.53 4.39 0.00 -1.34 1.02 -1.26 -4.96 118.68 114.00 1bfi s LEU 3 Ca 0.57 0.82 0.12 0.00 0.02 0.00 0.00 54.13 55.66 1bfi s LEU 3 Cb -0.29 -2.81 0.69 0.00 0.02 0.00 0.00 46.19 43.80 1bfi s LEU 3 CO 0.36 0.23 1.18 -0.81 0.02 0.00 0.00 176.35 177.33 1bfi n PRO 4 N 1.24 0.33 0.10 1.29 -0.04 -1.26 -2.67 135.00 133.98 1bfi n PRO 4 Ca -0.10 0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.37 1bfi n PRO 4 Cb 0.52 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.69 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 0.27 -0.26 0.54 3.86 -1.99 -2.40 115.15 115.17 1bfi h HIS 5 Ca 0.00 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.12 1bfi h HIS 5 Cb 0.02 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1bfi h HIS 5 CO 0.00 0.65 0.12 0.45 0.86 0.00 0.00 177.93 180.01 1bfi h HIS 6 N 0.18 0.35 -3.34 2.45 3.86 -1.93 -3.40 115.15 113.32 1bfi h HIS 6 Ca 0.01 -0.00 -0.58 0.00 -1.16 0.00 0.00 60.37 58.64 1bfi h HIS 6 Cb 0.89 -0.11 -0.09 0.00 1.06 0.00 0.00 27.41 29.15 1bfi h HIS 6 CO 0.01 0.27 -0.16 -0.51 0.86 0.00 0.00 177.93 178.40 1bfi s ASP 7 N -6.81 6.62 0.36 2.45 1.01 -0.90 -4.96 116.67 114.44 1bfi s ASP 7 Ca -0.07 0.73 0.19 0.00 0.71 0.00 0.00 52.55 54.12 1bfi s ASP 7 Cb 0.17 -2.27 0.36 0.00 1.01 0.00 0.00 42.92 42.20 1bfi s ASP 7 CO 0.72 -0.00 1.59 -0.08 0.21 0.00 0.00 175.17 177.60 1bfi h GLU 8 N 6.82 0.00 0.00 8.23 4.81 -1.81 -3.18 114.58 129.45 1bfi h GLU 8 Ca -0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1bfi h GLU 8 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1bfi h GLU 8 CO 0.75 0.31 0.00 1.57 -0.73 0.00 0.00 179.01 180.91 1bfi h LYS 9 N 0.00 0.00 0.00 1.92 2.10 -1.90 0.36 116.57 119.05 1bfi h LYS 9 Ca -0.00 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.55 1bfi h LYS 9 Cb 1.12 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 1bfi h LYS 9 CO 0.04 0.00 -0.45 1.79 -2.00 0.00 0.00 179.45 178.83 1bfi h THR 10 N 0.00 0.99 0.00 0.07 1.35 -1.69 -3.36 112.91 110.27 1bfi h THR 10 Ca 0.00 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.10 1bfi h THR 10 Cb 0.47 2.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1bfi h THR 10 CO 0.00 0.44 -0.82 -2.67 -0.25 0.00 0.00 175.52 172.22 1bfi n TRP 11 N -3.53 0.00 -2.84 4.73 4.27 -1.14 -0.54 117.44 118.40 1bfi n TRP 11 Ca -0.00 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.19 1bfi n TRP 11 Cb 0.57 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.48 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 -1.83 6.94 -0.13 -0.67 2.47 0.13 0.32 114.94 122.16 1bfi s ASN 12 Ca 0.00 1.17 0.21 0.00 0.42 0.00 0.00 52.86 54.65 1bfi s ASN 12 Cb 0.00 -2.47 0.45 0.00 -1.45 0.00 0.00 41.25 37.78 1bfi s ASN 12 CO 0.00 -0.51 1.17 0.52 -3.72 0.00 0.00 177.10 174.56 1bfi n VAL 13 N 5.08 0.93 -0.36 -5.21 0.31 0.91 -4.61 118.33 115.38 1bfi n VAL 13 Ca 0.07 -2.16 0.28 0.00 -0.01 0.00 0.00 64.34 62.51 1bfi n VAL 13 Cb 0.48 0.66 0.43 0.00 -0.91 0.00 0.00 33.84 34.50 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 -0.17 -0.52 0.27 2.92 0.00 -1.22 0.44 105.19 106.91 1bfi n GLY 14 Ca 0.12 0.39 0.16 0.00 0.00 0.00 0.00 46.02 46.69 1bfi n GLY 14 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bfi h SER 15 N 0.00 0.00 -4.08 1.61 4.64 -1.92 -3.43 113.55 110.37 1bfi h SER 15 Ca 0.51 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.31 1bfi h SER 15 Cb 1.95 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 64.14 1bfi h SER 15 CO -0.08 0.06 0.47 -0.55 -0.87 0.00 0.00 176.83 175.86 1bfi s SER 16 N -5.80 5.44 0.38 4.97 0.15 1.54 -5.04 113.70 115.33 1bfi s SER 16 Ca 0.00 2.35 0.08 0.00 0.70 0.00 0.00 55.95 59.08 1bfi s SER 16 Cb 0.10 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 1bfi s SER 16 CO 0.56 -1.42 0.11 0.20 1.20 0.00 0.00 173.24 173.89 1bfi s ASN 17 N -1.57 4.36 0.22 5.45 0.01 -1.26 -4.88 114.94 117.26 1bfi s ASN 17 Ca 0.74 -1.02 -0.08 0.00 -0.71 0.00 0.00 52.86 51.79 1bfi s ASN 17 Cb -0.29 -0.53 0.26 0.00 0.41 0.00 0.00 41.25 41.10 1bfi s ASN 17 CO 0.32 -0.40 1.82 0.03 -1.51 0.00 0.00 177.10 177.36 1bfi h ARG 18 N 1.58 0.72 -0.22 -0.60 3.08 -1.95 1.64 114.38 118.63 1bfi h ARG 18 Ca -0.43 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.54 1bfi h ARG 18 Cb 1.25 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 1bfi h ARG 18 CO 0.68 0.48 0.01 -0.97 -1.07 0.00 0.00 179.97 179.11 1bfi h ASN 19 N 0.75 0.37 -0.35 7.04 -0.73 -2.01 -2.27 115.58 118.38 1bfi h ASN 19 Ca 0.31 -0.29 -0.07 0.00 1.87 0.00 0.00 56.30 58.13 1bfi h ASN 19 Cb 0.18 -0.10 -0.02 0.00 0.27 0.00 0.00 38.32 38.65 1bfi h ASN 19 CO -0.18 0.57 -0.01 0.50 -0.37 0.00 0.00 177.43 177.94 1bfi h LYS 20 N 0.16 0.72 -0.85 6.67 3.64 -1.75 -2.17 116.57 123.00 1bfi h LYS 20 Ca 0.06 -0.19 0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1bfi h LYS 20 Cb 0.37 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.05 1bfi h LYS 20 CO 0.01 0.74 0.55 0.00 -2.27 0.00 0.00 179.45 178.49 1bfi h ALA 21 N 1.31 1.60 -0.61 5.00 0.00 0.27 0.39 119.26 127.23 1bfi h ALA 21 Ca 0.13 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.05 1bfi h ALA 21 Cb 0.43 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1bfi h ALA 21 CO 0.02 0.26 0.38 0.93 0.00 0.00 0.00 179.25 180.84 1bfi h GLU 22 N 0.92 0.74 -0.45 0.00 5.08 -0.82 1.72 114.58 121.77 1bfi h GLU 22 Ca 0.37 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 1bfi h GLU 22 Cb 0.26 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1bfi h GLU 22 CO -0.14 0.49 0.15 -0.91 -1.00 0.00 0.00 179.01 177.60 1bfi h ASN 23 N 0.76 0.65 0.78 1.42 -0.26 -0.96 2.30 115.58 120.26 1bfi h ASN 23 Ca 0.24 -0.20 -0.07 0.00 -0.56 0.00 0.00 56.30 55.71 1bfi h ASN 23 Cb -0.01 -0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 1bfi h ASN 23 CO -0.09 0.67 -0.35 -0.07 -1.06 0.00 0.00 177.43 176.54 1bfi h LEU 24 N 0.59 0.00 0.00 1.61 3.38 -0.06 -2.44 115.31 118.40 1bfi h LEU 24 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1bfi h LEU 24 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1bfi h LEU 24 CO -0.01 0.35 -0.83 0.18 0.09 0.00 0.00 178.44 178.22 1bfi n LEU 25 N -3.57 0.67 -4.79 1.67 4.77 0.58 -4.56 117.00 111.76 1bfi n LEU 25 Ca -0.00 -0.13 -0.36 0.00 -0.03 0.00 0.00 56.01 55.48 1bfi n LEU 25 Cb 0.48 -0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.37 1bfi n LEU 25 CO 0.36 0.12 -0.08 -0.13 -1.33 0.00 0.00 177.39 176.33 1bfi s ARG 26 N -3.08 3.95 0.00 3.23 1.81 0.77 -4.09 118.95 121.54 1bfi s ARG 26 Ca 0.07 0.00 0.00 0.00 -1.72 0.00 0.00 55.73 54.09 1bfi s ARG 26 Cb 0.16 -3.32 0.00 0.00 -0.45 0.00 0.00 34.95 31.33 1bfi s ARG 26 CO 0.78 0.48 0.00 0.41 -0.68 0.00 0.00 175.30 176.29 1bfi n GLY 27 N 2.77 1.01 3.69 -3.53 0.00 -1.26 -4.79 105.19 103.07 1bfi n GLY 27 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 3.37 0.81 1.61 1.02 -1.26 -5.09 119.74 120.09 1bfi s LYS 28 Ca 0.00 -0.35 -0.11 0.00 0.02 0.00 0.00 55.97 55.53 1bfi s LYS 28 Cb 0.00 -2.98 0.08 0.00 -0.52 0.00 0.00 37.83 34.41 1bfi s LYS 28 CO 0.00 0.57 1.10 -0.98 -0.92 0.00 0.00 175.35 175.12 1bfi s ARG 29 N -0.50 1.91 0.62 1.68 1.70 -1.26 -4.95 118.95 118.16 1bfi s ARG 29 Ca 0.10 1.18 -0.19 0.00 -0.47 0.00 0.00 55.73 56.35 1bfi s ARG 29 Cb -0.12 -1.86 -0.03 0.00 -0.57 0.00 0.00 34.95 32.38 1bfi s ARG 29 CO 0.02 -1.89 1.17 -0.25 -1.08 0.00 0.00 175.30 173.27 1bfi n ASP 30 N -3.69 1.62 0.00 -2.89 8.00 -1.26 -3.03 116.55 115.30 1bfi n ASP 30 Ca 0.09 0.84 0.00 0.00 0.71 0.00 0.00 54.79 56.43 1bfi n ASP 30 Cb 0.53 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 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 1.05 2.44 3.66 0.44 0.00 -1.08 -4.94 105.19 106.77 1bfi n GLY 31 Ca 0.15 -0.06 -0.43 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 -2.42 4.69 0.17 2.61 2.01 -1.17 -2.56 115.64 118.98 1bfi s THR 32 Ca 0.00 2.01 0.01 0.00 0.31 0.00 0.00 61.69 64.03 1bfi s THR 32 Cb 0.00 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.16 1bfi s THR 32 CO 0.00 -0.16 0.02 0.72 -0.69 0.00 0.00 174.62 174.50 1bfi s PHE 33 N 3.11 1.18 0.10 4.92 -0.71 -0.99 -3.13 117.98 122.46 1bfi s PHE 33 Ca 0.44 -1.06 0.03 0.00 -1.04 0.00 0.00 56.93 55.30 1bfi s PHE 33 Cb -0.15 -0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 40.95 1bfi s PHE 33 CO 0.07 -0.27 -0.09 -0.48 -1.34 0.00 0.00 175.22 173.11 1bfi s LEU 34 N -3.16 2.44 -0.16 -1.99 2.34 0.04 -2.30 118.68 115.88 1bfi s LEU 34 Ca 0.25 -0.88 -0.01 0.00 0.06 0.00 0.00 54.13 53.56 1bfi s LEU 34 Cb 0.06 -0.22 -0.00 0.00 -0.56 0.00 0.00 46.19 45.47 1bfi s LEU 34 CO 0.04 -0.33 -0.13 -0.69 -1.06 0.00 0.00 176.35 174.18 1bfi s VAL 35 N -2.85 2.82 0.34 1.48 1.01 0.95 -0.95 120.40 123.19 1bfi s VAL 35 Ca 0.08 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.26 1bfi s VAL 35 Cb -0.00 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.19 1bfi s VAL 35 CO -0.01 0.50 0.58 0.00 0.00 0.00 0.00 175.10 176.17 1bfi s ARG 36 N 0.89 1.97 0.39 2.72 1.70 0.13 -0.07 118.95 126.68 1bfi s ARG 36 Ca -0.03 -1.58 0.07 0.00 -0.47 0.00 0.00 55.73 53.72 1bfi s ARG 36 Cb -0.15 0.51 -0.00 0.00 -0.57 0.00 0.00 34.95 34.73 1bfi s ARG 36 CO -0.01 -0.86 0.48 -1.83 -1.08 0.00 0.00 175.30 172.00 1bfi s GLU 37 N -2.95 2.85 0.00 3.89 1.03 -1.26 0.25 118.70 122.51 1bfi s GLU 37 Ca 0.24 -1.23 0.02 0.00 0.03 0.00 0.00 54.97 54.03 1bfi s GLU 37 Cb -0.02 -2.68 0.13 0.00 -0.80 0.00 0.00 34.13 30.76 1bfi s GLU 37 CO 0.16 -0.12 0.81 -1.13 -1.33 0.00 0.00 175.26 173.65 1bfi n SER 38 N -1.68 0.00 0.00 0.83 3.41 -1.25 -4.71 113.62 110.22 1bfi n SER 38 Ca 0.04 -1.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 1bfi n SER 38 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1bfi n SER 38 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1bfi n SER 39 N -0.55 0.00 -4.79 4.04 3.41 -1.26 -5.02 113.62 109.44 1bfi n SER 39 Ca 0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.28 1bfi n SER 39 Cb 0.01 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1bfi n SER 39 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1bfi s LYS 40 N -0.52 3.77 0.08 4.33 -0.14 -1.26 -4.98 119.74 121.01 1bfi s LYS 40 Ca 0.00 1.39 -0.30 0.00 -1.36 0.00 0.00 55.97 55.70 1bfi s LYS 40 Cb 0.00 -2.10 -0.05 0.00 -1.68 0.00 0.00 37.83 33.99 1bfi s LYS 40 CO 0.00 -0.46 1.10 -0.65 -0.76 0.00 0.00 175.35 174.58 1bfi s GLN 41 N -3.21 4.52 0.00 1.68 -0.21 -1.26 -2.78 119.66 118.40 1bfi s GLN 41 Ca 0.68 1.64 0.00 0.00 0.02 0.00 0.00 55.36 57.70 1bfi s GLN 41 Cb -0.17 -3.36 0.00 0.00 1.00 0.00 0.00 33.01 30.48 1bfi s GLN 41 CO 0.21 -0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.70 1bfi n GLY 42 N 2.79 0.86 3.50 3.09 0.00 -1.26 -5.04 105.19 109.13 1bfi n GLY 42 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.29 1.60 -0.25 0.00 2.02 -0.30 -3.87 117.35 116.26 1bfi s TYR 44 Ca 0.04 -0.42 -0.21 0.00 -0.37 0.00 0.00 57.07 56.11 1bfi s TYR 44 Cb -0.13 -0.89 0.07 0.00 -0.40 0.00 0.00 41.96 40.61 1bfi s TYR 44 CO 0.03 0.14 0.65 0.00 -1.57 0.00 0.00 175.55 174.80 1bfi s ALA 45 N -1.14 -1.64 -0.12 3.71 0.00 0.70 0.20 121.76 123.48 1bfi s ALA 45 Ca 0.04 1.94 0.02 0.00 0.00 0.00 0.00 51.96 53.96 1bfi s ALA 45 Cb -0.10 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 1bfi s ALA 45 CO 0.03 -0.32 -0.18 0.00 0.00 0.00 0.00 175.76 175.29 1bfi s SER 47 N 0.36 5.11 0.33 0.00 0.15 -0.13 0.12 113.70 119.64 1bfi s SER 47 Ca -0.15 0.09 0.04 0.00 0.70 0.00 0.00 55.95 56.63 1bfi s SER 47 Cb -0.17 -1.47 -0.06 0.00 -1.71 0.00 0.00 66.02 62.61 1bfi s SER 47 CO 0.07 0.35 0.07 0.54 1.20 0.00 0.00 173.24 175.47 1bfi s VAL 48 N -0.71 1.10 -0.09 4.45 0.11 -0.87 -0.78 120.40 123.60 1bfi s VAL 48 Ca 0.11 -2.00 0.02 0.00 -2.93 0.00 0.00 61.98 57.18 1bfi s VAL 48 Cb -0.12 -2.74 -0.02 0.00 -1.53 0.00 0.00 36.38 31.97 1bfi s VAL 48 CO 0.02 0.00 -0.15 -0.69 -3.33 0.00 0.00 175.10 170.95 1bfi s VAL 49 N -3.31 2.95 0.19 2.04 1.01 -1.18 -2.13 120.40 119.96 1bfi s VAL 49 Ca 0.35 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1bfi s VAL 49 Cb 0.08 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.22 1bfi s VAL 49 CO 0.15 0.55 -0.17 0.54 0.00 0.00 0.00 175.10 176.18 1bfi s VAL 50 N -0.09 1.84 -0.44 2.92 0.11 -0.30 -2.62 120.40 121.82 1bfi s VAL 50 Ca -0.02 -2.07 0.01 0.00 -2.93 0.00 0.00 61.98 56.96 1bfi s VAL 50 Cb -0.14 -1.96 0.01 0.00 -1.53 0.00 0.00 36.38 32.76 1bfi s VAL 50 CO 0.04 -0.43 0.77 -0.90 -3.33 0.00 0.00 175.10 171.24 1bfi n ASP 51 N -0.04 0.02 -0.09 3.54 5.68 -1.26 -1.45 116.55 122.94 1bfi n ASP 51 Ca -0.10 0.26 -0.11 0.00 -0.50 0.00 0.00 54.79 54.33 1bfi n ASP 51 Cb 0.59 -0.25 -0.04 0.00 -1.14 0.00 0.00 41.12 40.28 1bfi n ASP 51 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bfi n GLY 52 N -1.24 -0.60 2.01 6.12 0.00 -1.26 -5.10 105.19 105.12 1bfi n GLY 52 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 46.02 45.72 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 -4.45 0.46 -3.16 1.61 1.02 -0.53 -5.12 120.64 110.46 1bfi n GLU 53 Ca -0.19 -0.96 -0.40 0.00 -0.02 0.00 0.00 57.16 55.59 1bfi n GLU 53 Cb 0.54 1.24 -0.07 0.00 -0.02 0.00 0.00 31.44 33.13 1bfi n GLU 53 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1bfi s VAL 54 N -2.40 5.02 0.23 2.62 -7.23 -1.26 -1.14 120.40 116.23 1bfi s VAL 54 Ca 0.10 1.01 0.11 0.00 -1.81 0.00 0.00 61.98 61.40 1bfi s VAL 54 Cb -0.02 -3.89 -0.05 0.00 0.56 0.00 0.00 36.38 32.98 1bfi s VAL 54 CO 0.04 0.04 -0.21 -0.54 -0.31 0.00 0.00 175.10 174.13 1bfi s LYS 55 N 2.43 1.63 -0.16 4.82 3.01 -0.91 -4.99 119.74 125.57 1bfi s LYS 55 Ca 0.24 -1.61 -0.02 0.00 -1.01 0.00 0.00 55.97 53.57 1bfi s LYS 55 Cb -0.16 -1.84 -0.02 0.00 -1.01 0.00 0.00 37.83 34.81 1bfi s LYS 55 CO 0.09 0.37 -0.08 -1.01 0.51 0.00 0.00 175.35 175.23 1bfi s HIS 56 N -2.03 2.92 -0.19 3.18 3.76 -1.26 -2.06 115.29 119.62 1bfi s HIS 56 Ca 0.25 -0.57 -0.07 0.00 -0.15 0.00 0.00 55.06 54.52 1bfi s HIS 56 Cb -0.07 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 1bfi s HIS 56 CO 0.12 -0.22 0.04 0.00 -0.85 0.00 0.00 174.74 173.84 1bfi s VAL 58 N 0.54 4.71 -0.13 0.00 0.11 -1.26 0.13 120.40 124.50 1bfi s VAL 58 Ca 0.02 1.48 0.02 0.00 -2.93 0.00 0.00 61.98 60.57 1bfi s VAL 58 Cb -0.13 -4.04 0.00 0.00 -1.53 0.00 0.00 36.38 30.68 1bfi s VAL 58 CO 0.01 0.44 -0.21 -0.63 -3.33 0.00 0.00 175.10 171.38 1bfi s ILE 59 N -0.46 2.23 0.41 7.04 -1.09 0.53 -4.70 121.20 125.17 1bfi s ILE 59 Ca 0.35 -0.93 0.05 0.00 -2.23 0.00 0.00 60.65 57.89 1bfi s ILE 59 Cb -0.20 -1.89 -0.07 0.00 -1.58 0.00 0.00 42.46 38.72 1bfi s ILE 59 CO 0.21 0.54 0.02 0.20 -1.23 0.00 0.00 174.94 174.69 1bfi s ASN 60 N 0.66 3.64 -0.46 3.58 0.02 -1.21 -1.15 114.94 120.02 1bfi s ASN 60 Ca -0.10 -1.42 0.09 0.00 -1.02 0.00 0.00 52.86 50.40 1bfi s ASN 60 Cb -0.16 -0.18 0.33 0.00 0.02 0.00 0.00 41.25 41.26 1bfi s ASN 60 CO 0.02 -0.55 0.78 1.17 0.02 0.00 0.00 177.10 178.53 1bfi n LYS 61 N -0.97 1.77 -4.30 -0.60 4.81 -1.26 -2.03 118.16 115.59 1bfi n LYS 61 Ca -0.07 -3.93 -0.16 0.00 -0.87 0.00 0.00 58.31 53.28 1bfi n LYS 61 Cb 0.67 -1.86 -0.10 0.00 0.02 0.00 0.00 35.03 33.76 1bfi n LYS 61 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1bfi s THR 62 N -2.93 0.40 -0.41 3.15 2.01 -1.26 -4.96 115.64 111.64 1bfi s THR 62 Ca 0.42 -2.00 0.00 0.00 0.31 0.00 0.00 61.69 60.42 1bfi s THR 62 Cb 0.29 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 70.22 1bfi s THR 62 CO -0.10 0.00 0.45 0.00 -0.69 0.00 0.00 174.62 174.28 1bfi n ALA 63 N -0.46 0.35 0.21 7.40 0.00 -1.26 0.84 120.51 127.58 1bfi n ALA 63 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1bfi n ALA 63 Cb 0.66 -0.29 0.21 0.00 0.00 0.00 0.00 19.45 20.02 1bfi n ALA 63 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1bfi h THR 64 N 0.00 0.18 -2.72 0.00 2.02 -1.96 -3.48 112.91 106.95 1bfi h THR 64 Ca 0.00 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.00 1bfi h THR 64 Cb 0.42 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 1bfi h THR 64 CO 0.00 0.10 0.00 0.61 0.37 0.00 0.00 175.52 176.60 1bfi n GLY 65 N 0.97 0.05 2.28 2.16 0.00 0.25 -3.84 105.19 107.06 1bfi n GLY 65 Ca 0.03 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 1bfi n GLY 65 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1bfi n TYR 66 N -1.01 -1.24 0.00 1.61 4.02 -0.86 0.28 117.16 119.96 1bfi n TYR 66 Ca 0.00 0.11 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1bfi n TYR 66 Cb 0.45 -0.83 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 1bfi n TYR 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1bfi n GLY 67 N -0.47 2.07 3.65 2.72 0.00 -1.25 -3.36 105.19 108.55 1bfi n GLY 67 Ca 0.02 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.46 3.32 0.00 1.61 0.08 0.78 -4.91 117.98 118.41 1bfi s PHE 68 Ca 0.00 0.48 0.00 0.00 0.12 0.00 0.00 56.93 57.53 1bfi s PHE 68 Cb 0.00 -2.49 0.00 0.00 -0.57 0.00 0.00 43.02 39.96 1bfi s PHE 68 CO 0.00 -0.06 0.66 0.00 -0.10 0.00 0.00 175.22 175.72 1bfi n ALA 69 N 4.68 1.51 -0.69 5.36 0.00 -1.26 -4.43 120.51 125.69 1bfi n ALA 69 Ca -0.10 -0.66 0.02 0.00 0.00 0.00 0.00 53.44 52.71 1bfi n ALA 69 Cb 0.51 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.99 1bfi n ALA 69 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1bfi n GLU 70 N -0.21 1.62 0.02 0.00 0.28 -1.26 -4.56 120.64 116.52 1bfi n GLU 70 Ca 0.00 -1.49 -0.01 0.00 -0.16 0.00 0.00 57.16 55.51 1bfi n GLU 70 Cb 0.30 -0.96 -0.00 0.00 1.43 0.00 0.00 31.44 32.21 1bfi n GLU 70 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1bfi h PRO 71 N 0.00 -0.05 -1.65 3.44 0.13 -2.00 -3.43 132.00 128.43 1bfi h PRO 71 Ca 0.00 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.70 1bfi h PRO 71 Cb 0.83 0.01 -0.36 0.00 0.13 0.00 0.00 31.00 31.61 1bfi h PRO 71 CO 0.00 -0.03 -1.07 0.66 -0.23 0.00 0.00 178.00 177.33 1bfi n TYR 72 N -2.29 -0.35 -3.52 1.56 4.01 -1.26 -4.96 117.16 110.35 1bfi n TYR 72 Ca -0.01 -3.53 -0.19 0.00 -0.16 0.00 0.00 57.90 54.02 1bfi n TYR 72 Cb 0.02 -0.06 0.07 0.00 -0.31 0.00 0.00 39.34 39.06 1bfi n TYR 72 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1bfi n ASN 73 N 0.30 -2.30 -2.09 7.72 4.13 -1.26 -4.44 115.26 117.31 1bfi n ASN 73 Ca 0.22 -0.66 0.00 0.00 1.68 0.00 0.00 54.58 55.81 1bfi n ASN 73 Cb 0.67 -4.84 0.00 0.00 -1.54 0.00 0.00 39.78 34.07 1bfi n ASN 73 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1bfi n LEU 74 N -4.26 -6.03 -4.71 3.41 4.77 -1.26 -4.81 117.00 104.10 1bfi n LEU 74 Ca -0.26 2.89 -0.43 0.00 -0.03 0.00 0.00 56.01 58.19 1bfi n LEU 74 Cb 0.66 -3.05 -0.02 0.00 -2.33 0.00 0.00 43.42 38.68 1bfi n LEU 74 CO 0.63 -2.10 1.18 -1.22 -1.33 0.00 0.00 177.39 174.55 1bfi n TYR 75 N 1.75 2.58 -0.14 -1.77 4.01 -1.26 -4.89 117.16 117.44 1bfi n TYR 75 Ca 0.00 0.29 -0.08 0.00 -0.16 0.00 0.00 57.90 57.95 1bfi n TYR 75 Cb 0.00 -2.56 0.07 0.00 -0.31 0.00 0.00 39.34 36.54 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 4.91 0.90 -5.25 7.72 0.02 -1.90 -3.46 113.55 116.49 1bfi h SER 76 Ca -0.46 -0.28 -0.12 0.00 -0.84 0.00 0.00 61.79 60.09 1bfi h SER 76 Cb 1.24 -0.25 -0.14 0.00 0.14 0.00 0.00 62.40 63.39 1bfi h SER 76 CO 0.81 1.02 -0.56 -0.94 -1.14 0.00 0.00 176.83 176.03 1bfi s SER 77 N -6.67 0.32 0.24 3.07 1.04 -1.26 -5.04 113.70 105.40 1bfi s SER 77 Ca -0.10 -0.93 -0.06 0.00 0.48 0.00 0.00 55.95 55.34 1bfi s SER 77 Cb 0.13 0.28 0.23 0.00 0.10 0.00 0.00 66.02 66.77 1bfi s SER 77 CO 0.84 -0.68 1.87 -0.07 0.98 0.00 0.00 173.24 176.18 1bfi h LEU 78 N 2.94 1.12 -1.00 2.42 3.38 -2.00 -1.87 115.31 120.29 1bfi h LEU 78 Ca -0.34 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.57 1bfi h LEU 78 Cb 1.17 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 1bfi h LEU 78 CO 0.60 0.89 0.66 0.11 0.09 0.00 0.00 178.44 180.79 1bfi h LYS 79 N 1.26 1.26 -0.48 1.13 1.57 -1.96 -0.38 116.57 118.97 1bfi h LYS 79 Ca 0.32 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.97 1bfi h LYS 79 Cb 0.01 -0.28 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 1bfi h LYS 79 CO -0.05 0.83 0.07 1.49 -0.57 0.00 0.00 179.45 181.22 1bfi h GLU 80 N 1.30 0.76 -0.41 3.15 4.81 -1.77 -2.73 114.58 119.69 1bfi h GLU 80 Ca 0.39 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1bfi h GLU 80 Cb -0.04 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.21 1bfi h GLU 80 CO -0.11 0.72 0.27 1.25 -0.73 0.00 0.00 179.01 180.41 1bfi h LEU 81 N 0.73 0.45 -0.71 1.64 6.46 -0.43 -1.67 115.31 121.78 1bfi h LEU 81 Ca 0.15 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 1bfi h LEU 81 Cb 0.34 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 1bfi h LEU 81 CO 0.01 0.33 0.28 0.58 -0.62 0.00 0.00 178.44 179.02 1bfi h VAL 82 N 0.54 1.25 -0.50 1.05 2.07 -1.21 -2.46 116.25 116.99 1bfi h VAL 82 Ca 0.15 -0.78 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1bfi h VAL 82 Cb -0.05 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1bfi h VAL 82 CO -0.04 0.31 0.20 -0.07 0.02 0.00 0.00 177.57 178.00 1bfi h LEU 83 N 1.02 0.69 -0.44 2.57 3.38 -1.17 -2.24 115.31 119.12 1bfi h LEU 83 Ca 0.24 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1bfi h LEU 83 Cb 0.21 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1bfi h LEU 83 CO -0.02 0.67 0.09 0.45 0.09 0.00 0.00 178.44 179.72 1bfi h HIS 84 N 0.67 0.75 0.00 1.13 3.86 -1.14 -2.21 115.15 118.21 1bfi h HIS 84 Ca 0.17 -0.10 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1bfi h HIS 84 Cb 0.19 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 1bfi h HIS 84 CO 0.00 0.71 -0.13 1.88 0.86 0.00 0.00 177.93 181.25 1bfi h TYR 85 N 0.58 0.00 -0.17 2.45 -1.99 -1.37 0.37 116.97 116.85 1bfi h TYR 85 Ca 0.14 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.77 1bfi h TYR 85 Cb 0.35 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.06 1bfi h TYR 85 CO 0.02 0.13 -0.31 0.37 -0.00 0.00 0.00 178.16 178.38 1bfi h GLN 86 N 0.00 0.33 0.00 4.88 4.15 -0.77 -2.77 115.11 120.93 1bfi h GLN 86 Ca -0.00 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1bfi h GLN 86 Cb 0.38 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.06 1bfi h GLN 86 CO 0.02 0.60 -1.06 0.72 -1.93 0.00 0.00 178.83 177.19 1bfi n HIS 87 N -4.10 0.20 -4.33 3.99 8.25 -0.68 -4.46 115.22 114.09 1bfi n HIS 87 Ca -0.01 0.06 -0.34 0.00 -0.26 0.00 0.00 57.72 57.17 1bfi n HIS 87 Cb 0.42 -0.37 -0.12 0.00 1.12 0.00 0.00 29.99 31.04 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 -3.18 4.06 0.29 1.59 2.01 0.03 -5.08 115.64 115.36 1bfi s THR 88 Ca 0.04 -0.30 -0.29 0.00 0.31 0.00 0.00 61.69 61.45 1bfi s THR 88 Cb 0.15 -2.79 -0.10 0.00 0.01 0.00 0.00 72.50 69.77 1bfi s THR 88 CO 0.81 0.49 1.14 -0.55 -0.69 0.00 0.00 174.62 175.82 1bfi s SER 89 N 0.36 7.18 0.34 3.53 0.15 -1.26 -4.66 113.70 119.33 1bfi s SER 89 Ca -0.03 2.35 0.26 0.00 0.70 0.00 0.00 55.95 59.23 1bfi s SER 89 Cb -0.14 -2.63 1.13 0.00 -1.71 0.00 0.00 66.02 62.67 1bfi s SER 89 CO 0.02 -0.22 1.79 -0.07 1.20 0.00 0.00 173.24 175.97 1bfi h LEU 90 N 3.77 0.00 0.00 3.45 4.07 -0.43 -3.38 115.31 122.79 1bfi h LEU 90 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.49 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 0.67 0.00 0.00 0.52 -1.08 0.00 0.00 178.44 178.55 1bfi n VAL 91 N -2.46 0.00 0.00 1.22 0.31 1.74 -4.53 118.33 114.62 1bfi n VAL 91 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1bfi n VAL 91 Cb 0.23 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1bfi n VAL 91 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bfi n GLN 92 N -1.58 0.00 -0.11 5.55 6.02 -1.26 -1.75 117.38 124.25 1bfi n GLN 92 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.94 1bfi n GLN 92 Cb 0.00 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.27 1bfi n GLN 92 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1bfi h HIS 93 N 0.00 -0.21 -0.54 1.08 6.17 -2.00 -3.03 115.15 116.61 1bfi h HIS 93 Ca 0.00 0.03 -0.32 0.00 0.71 0.00 0.00 60.37 60.80 1bfi h HIS 93 Cb 0.00 0.15 -0.04 0.00 2.52 0.00 0.00 27.41 30.04 1bfi h HIS 93 CO 0.00 -0.17 0.96 -0.80 0.71 0.00 0.00 177.93 178.63 1bfi s ASN 94 N -5.21 5.05 0.05 3.26 0.02 -0.72 -4.67 114.94 112.72 1bfi s ASN 94 Ca -0.14 -1.35 0.01 0.00 -1.02 0.00 0.00 52.86 50.36 1bfi s ASN 94 Cb 0.14 -2.58 0.04 0.00 0.02 0.00 0.00 41.25 38.87 1bfi s ASN 94 CO 0.70 -2.99 0.65 -0.67 0.02 0.00 0.00 177.10 174.82 1bfi n ASP 95 N 14.30 0.02 -1.11 -1.22 2.03 -1.15 0.26 116.55 129.67 1bfi n ASP 95 Ca 0.43 0.14 0.12 0.00 0.52 0.00 0.00 54.79 56.00 1bfi n ASP 95 Cb 0.47 -0.11 0.20 0.00 -0.72 0.00 0.00 41.12 40.95 1bfi n ASP 95 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1bfi n SER 96 N -1.21 3.39 -2.12 1.67 3.41 -1.26 -4.54 113.62 112.96 1bfi n SER 96 Ca -0.00 -1.98 -0.11 0.00 -0.26 0.00 0.00 58.87 56.52 1bfi n SER 96 Cb 0.43 -0.22 -0.14 0.00 -0.26 0.00 0.00 64.21 64.02 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 1.45 4.50 -4.58 1.04 4.77 0.71 -4.71 117.00 120.19 1bfi n LEU 97 Ca 0.18 -2.79 -0.39 0.00 -0.03 0.00 0.00 56.01 52.98 1bfi n LEU 97 Cb 0.60 -1.20 -0.02 0.00 -2.33 0.00 0.00 43.42 40.47 1bfi n LEU 97 CO 0.15 1.36 1.83 0.21 -1.33 0.00 0.00 177.39 179.61 1bfi s ASN 98 N 2.17 6.36 0.16 -1.43 3.84 -1.26 0.48 114.94 125.26 1bfi s ASN 98 Ca 0.56 -2.19 -0.24 0.00 0.21 0.00 0.00 52.86 51.21 1bfi s ASN 98 Cb 0.27 -2.58 0.06 0.00 -0.55 0.00 0.00 41.25 38.45 1bfi s ASN 98 CO -0.00 -1.67 0.69 0.54 -2.79 0.00 0.00 177.10 173.87 1bfi s VAL 99 N 6.00 0.00 0.13 -5.21 0.11 -1.26 -4.55 120.40 115.62 1bfi s VAL 99 Ca 0.57 -0.27 0.06 0.00 -2.93 0.00 0.00 61.98 59.41 1bfi s VAL 99 Cb 0.03 -1.29 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 1bfi s VAL 99 CO 0.08 0.00 -0.13 0.42 -3.33 0.00 0.00 175.10 172.14 1bfi s THR 100 N -3.66 1.29 -0.77 5.04 -4.23 -1.26 -0.86 115.64 111.19 1bfi s THR 100 Ca 0.05 -1.79 -0.05 0.00 -1.18 0.00 0.00 61.69 58.72 1bfi s THR 100 Cb -0.02 -1.59 0.05 0.00 1.34 0.00 0.00 72.50 72.27 1bfi s THR 100 CO -0.07 -0.49 2.72 0.18 -0.54 0.00 0.00 174.62 176.42 1bfi n LEU 101 N 0.37 7.01 0.09 4.79 4.77 -1.16 -4.12 117.00 128.74 1bfi n LEU 101 Ca -0.14 -4.29 0.12 0.00 -0.03 0.00 0.00 56.01 51.66 1bfi n LEU 101 Cb 0.58 -1.31 0.05 0.00 -2.33 0.00 0.00 43.42 40.42 1bfi n LEU 101 CO 0.28 1.86 0.13 0.00 -1.33 0.00 0.00 177.39 178.33 1bfi h ALA 102 N 3.64 0.52 -3.63 -1.18 0.00 -1.80 -3.39 119.26 113.42 1bfi h ALA 102 Ca 0.50 0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.74 1bfi h ALA 102 Cb 0.62 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.07 1bfi h ALA 102 CO 1.07 0.00 -0.74 -0.47 0.00 0.00 0.00 179.25 179.11 1bfi s TYR 103 N -3.29 3.26 0.56 0.00 5.04 -1.06 -5.04 117.35 116.82 1bfi s TYR 103 Ca 0.02 -2.02 -0.21 0.00 -2.44 0.00 0.00 57.07 52.41 1bfi s TYR 103 Cb 0.11 -2.04 -0.04 0.00 0.35 0.00 0.00 41.96 40.34 1bfi s TYR 103 CO 0.77 -0.83 1.34 -2.30 -1.34 0.00 0.00 175.55 173.18 1bfi n PRO 104 N 4.56 1.57 0.26 4.97 -0.02 -1.26 -2.35 135.00 142.73 1bfi n PRO 104 Ca -0.14 0.58 0.15 0.00 -2.02 0.00 0.00 63.50 62.07 1bfi n PRO 104 Cb 0.43 -2.55 0.69 0.00 -0.02 0.00 0.00 33.50 32.05 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 1.25 0.31 -2.16 -1.45 3.04 -0.84 -3.20 116.25 113.20 1bfi h VAL 105 Ca -0.51 -0.64 -0.55 0.00 -1.01 0.00 0.00 66.70 64.00 1bfi h VAL 105 Cb 1.31 1.48 -0.41 0.00 -2.01 0.00 0.00 31.29 31.66 1bfi h VAL 105 CO 0.56 0.10 -0.88 -1.22 -1.01 0.00 0.00 177.57 175.12 1bfi n TYR 106 N -3.33 2.33 0.60 3.17 4.01 0.30 -4.85 117.16 119.40 1bfi n TYR 106 Ca -0.01 -3.92 0.06 0.00 -0.16 0.00 0.00 57.90 53.87 1bfi n TYR 106 Cb 0.30 -0.46 0.31 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.08 1.76 -2.70 -0.72 0.00 -1.21 -4.07 120.51 113.65 1bfi n ALA 107 Ca 0.28 -0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.32 1bfi n ALA 107 Cb 0.50 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 1bfi n ALA 107 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1bfi s GLN 108 N -2.49 3.02 0.50 0.00 -0.21 -1.26 -4.97 119.66 114.25 1bfi s GLN 108 Ca 0.13 -0.50 -0.23 0.00 0.02 0.00 0.00 55.36 54.78 1bfi s GLN 108 Cb 0.08 -2.72 -0.06 0.00 1.00 0.00 0.00 33.01 31.30 1bfi s GLN 108 CO 0.18 0.58 1.30 1.14 -2.12 0.00 0.00 175.29 176.38 1bfi s GLN 109 N -0.58 3.47 -0.08 2.91 -2.07 -1.26 -4.97 119.66 117.07 1bfi s GLN 109 Ca 0.09 2.11 -0.21 0.00 -1.82 0.00 0.00 55.36 55.53 1bfi s GLN 109 Cb -0.12 -2.40 -0.04 0.00 -1.09 0.00 0.00 33.01 29.37 1bfi s GLN 109 CO 0.02 -0.89 0.60 1.03 -1.32 0.00 0.00 175.29 174.74 1bfi s ARG 110 N -2.72 4.39 0.00 9.60 0.52 -1.26 -5.21 118.95 124.26 1bfi s ARG 110 Ca 0.67 0.70 0.17 0.00 -0.52 0.00 0.00 55.73 56.75 1bfi s ARG 110 Cb -0.37 -3.43 0.14 0.00 0.52 0.00 0.00 34.95 31.81 1bfi s ARG 110 CO 0.45 0.13 1.05 -2.13 0.02 0.00 0.00 175.30 174.82