#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 6.58 -0.06 4.31 -1.08 -1.26 -5.06 116.67 120.10 1bfi s ASP 2 Ca 0.00 0.70 -0.12 0.00 -0.52 0.00 0.00 52.55 52.61 1bfi s ASP 2 Cb 0.00 -2.31 -0.05 0.00 -1.46 0.00 0.00 42.92 39.10 1bfi s ASP 2 CO 0.00 -0.22 0.30 -0.76 0.52 0.00 0.00 175.17 175.00 1bfi s LEU 3 N 1.81 4.42 0.00 -1.34 1.43 -1.26 -4.95 118.68 118.79 1bfi s LEU 3 Ca 0.25 0.73 0.14 0.00 -1.03 0.00 0.00 54.13 54.22 1bfi s LEU 3 Cb -0.16 -2.37 0.76 0.00 0.03 0.00 0.00 46.19 44.45 1bfi s LEU 3 CO 0.10 0.33 1.35 -0.81 0.23 0.00 0.00 176.35 177.54 1bfi n PRO 4 N 2.08 0.28 0.11 1.29 -0.04 -1.26 -2.34 135.00 135.13 1bfi n PRO 4 Ca -0.16 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.53 1bfi n PRO 4 Cb 0.53 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.73 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 -0.58 0.54 3.86 -1.99 -3.26 115.15 113.71 1bfi h HIS 5 Ca 0.00 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1bfi h HIS 5 Cb 0.09 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 1bfi h HIS 5 CO 0.00 0.00 0.28 0.45 0.86 0.00 0.00 177.93 179.52 1bfi h HIS 6 N 0.00 0.81 -3.29 2.45 3.86 -1.89 -3.40 115.15 113.69 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 0.81 -0.26 -0.18 0.00 1.06 0.00 0.00 27.41 28.84 1bfi h HIS 6 CO 0.00 0.59 -0.61 0.16 0.86 0.00 0.00 177.93 178.93 1bfi s ASP 7 N -6.53 5.24 0.00 2.45 -4.77 -1.23 -4.96 116.67 106.87 1bfi s ASP 7 Ca -0.10 -0.01 0.15 0.00 -3.30 0.00 0.00 52.55 49.29 1bfi s ASP 7 Cb 0.17 -1.88 0.65 0.00 -1.09 0.00 0.00 42.92 40.78 1bfi s ASP 7 CO 0.78 0.18 1.47 1.21 0.70 0.00 0.00 175.17 179.51 1bfi n GLU 8 N 3.50 0.03 -0.16 2.11 2.13 -1.26 -2.99 120.64 124.00 1bfi n GLU 8 Ca -0.17 0.23 -0.00 0.00 0.66 0.00 0.00 57.16 57.88 1bfi n GLU 8 Cb 0.52 -1.50 0.24 0.00 0.27 0.00 0.00 31.44 30.97 1bfi n GLU 8 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1bfi h LYS 9 N 0.00 0.88 0.00 5.31 3.64 -1.88 1.43 116.57 125.94 1bfi h LYS 9 Ca 0.00 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1bfi h LYS 9 Cb 0.24 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1bfi h LYS 9 CO 0.00 0.66 -0.00 1.79 -2.27 0.00 0.00 179.45 179.63 1bfi h THR 10 N 0.89 0.01 0.00 1.00 1.35 -1.74 -3.32 112.91 111.09 1bfi h THR 10 Ca 0.22 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1bfi h THR 10 Cb 0.05 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1bfi h THR 10 CO -0.03 0.00 -0.08 -2.67 -0.25 0.00 0.00 175.52 172.49 1bfi n TRP 11 N -3.09 0.00 -3.47 4.73 4.27 -0.96 0.19 117.44 119.10 1bfi n TRP 11 Ca -0.01 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.23 1bfi n TRP 11 Cb 0.22 0.00 -0.08 0.00 -1.36 0.00 0.00 31.31 30.09 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 -0.35 6.40 -0.12 -0.67 4.22 0.48 0.25 114.94 125.15 1bfi s ASN 12 Ca 0.00 0.47 0.19 0.00 -2.14 0.00 0.00 52.86 51.38 1bfi s ASN 12 Cb 0.00 -2.20 0.38 0.00 1.28 0.00 0.00 41.25 40.71 1bfi s ASN 12 CO 0.00 0.01 1.17 1.33 -2.04 0.00 0.00 177.10 177.57 1bfi n VAL 13 N 4.05 0.39 -0.36 3.54 0.24 -0.41 -4.64 118.33 121.13 1bfi n VAL 13 Ca -0.10 -1.42 0.30 0.00 -2.04 0.00 0.00 64.34 61.08 1bfi n VAL 13 Cb 0.51 1.01 0.61 0.00 -1.47 0.00 0.00 33.84 34.51 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 1.32 0.88 2.00 7.63 0.00 -1.88 1.98 103.07 115.00 1bfi h GLY 14 Ca -0.29 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1bfi h GLY 14 CO 0.02 -0.16 0.00 -1.14 0.00 0.00 0.00 176.54 175.26 1bfi n SER 15 N -4.50 0.29 -4.77 0.19 3.41 -1.26 -4.69 113.62 102.29 1bfi n SER 15 Ca 0.29 0.59 -0.38 0.00 -0.26 0.00 0.00 58.87 59.11 1bfi n SER 15 Cb 1.14 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 64.38 1bfi n SER 15 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1bfi s SER 16 N -3.54 7.44 0.55 4.04 0.01 0.67 -5.05 113.70 117.82 1bfi s SER 16 Ca 0.03 1.89 -0.14 0.00 1.31 0.00 0.00 55.95 59.04 1bfi s SER 16 Cb 0.07 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.65 1bfi s SER 16 CO 0.25 0.01 1.00 0.54 0.41 0.00 0.00 173.24 175.44 1bfi s ASN 17 N -1.44 6.48 0.27 2.44 2.20 -1.26 -4.93 114.94 118.70 1bfi s ASN 17 Ca 0.47 1.51 -0.02 0.00 -0.94 0.00 0.00 52.86 53.88 1bfi s ASN 17 Cb -0.22 -2.49 0.38 0.00 -2.00 0.00 0.00 41.25 36.92 1bfi s ASN 17 CO 0.27 -0.69 1.82 0.03 -2.94 0.00 0.00 177.10 175.60 1bfi h ARG 18 N 0.48 0.87 -0.65 3.55 3.08 -1.96 -1.97 114.38 117.77 1bfi h ARG 18 Ca -0.46 -0.17 0.04 0.00 0.07 0.00 0.00 59.98 59.46 1bfi h ARG 18 Cb 1.19 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 31.06 1bfi h ARG 18 CO 0.62 0.77 0.39 -2.95 -1.07 0.00 0.00 179.97 177.72 1bfi h ASN 19 N 0.84 0.61 0.21 7.04 -1.07 -2.01 0.72 115.58 121.92 1bfi h ASN 19 Ca 0.19 0.01 -0.07 0.00 0.07 0.00 0.00 56.30 56.50 1bfi h ASN 19 Cb 0.28 -0.11 -0.01 0.00 -2.07 0.00 0.00 38.32 36.40 1bfi h ASN 19 CO -0.00 0.41 -0.28 0.50 0.07 0.00 0.00 177.43 178.13 1bfi h LYS 20 N 0.74 0.12 -0.85 4.14 3.64 -1.85 -2.22 116.57 120.28 1bfi h LYS 20 Ca 0.27 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 1bfi h LYS 20 Cb 0.08 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.85 1bfi h LYS 20 CO -0.13 0.39 0.55 0.00 -2.27 0.00 0.00 179.45 177.98 1bfi h ALA 21 N 1.61 1.36 -0.28 5.00 0.00 -0.13 0.48 119.26 127.30 1bfi h ALA 21 Ca 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1bfi h ALA 21 Cb 0.55 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1bfi h ALA 21 CO 0.04 0.58 0.15 0.93 0.00 0.00 0.00 179.25 180.95 1bfi h GLU 22 N 1.16 0.30 -0.65 0.00 5.08 -0.72 1.87 114.58 121.62 1bfi h GLU 22 Ca 0.31 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1bfi h GLU 22 Cb -0.10 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 1bfi h GLU 22 CO -0.06 0.20 0.43 -0.91 -1.00 0.00 0.00 179.01 177.66 1bfi h ASN 23 N 0.31 0.76 -0.31 1.42 2.35 -1.32 3.08 115.58 121.88 1bfi h ASN 23 Ca 0.11 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 1bfi h ASN 23 Cb 0.02 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1bfi h ASN 23 CO -0.07 0.56 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.10 1bfi h LEU 24 N 0.89 0.71 -0.22 1.61 3.38 0.25 -0.04 115.31 121.88 1bfi h LEU 24 Ca 0.24 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1bfi h LEU 24 Cb -0.09 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1bfi h LEU 24 CO -0.05 0.84 -0.35 0.18 0.09 0.00 0.00 178.44 179.16 1bfi n LEU 25 N -4.17 0.69 -0.03 1.67 4.77 0.62 -3.02 117.00 117.53 1bfi n LEU 25 Ca 0.01 -0.08 -0.01 0.00 -0.03 0.00 0.00 56.01 55.90 1bfi n LEU 25 Cb 0.35 -0.20 -0.13 0.00 -2.33 0.00 0.00 43.42 41.10 1bfi n LEU 25 CO 0.42 0.14 -0.74 0.54 -1.33 0.00 0.00 177.39 176.42 1bfi n ARG 26 N -1.11 0.66 -0.36 3.23 5.12 1.02 -3.98 116.66 121.24 1bfi n ARG 26 Ca 0.09 0.03 0.11 0.00 -1.93 0.00 0.00 57.85 56.15 1bfi n ARG 26 Cb 0.34 -1.63 0.30 0.00 -1.16 0.00 0.00 32.46 30.31 1bfi n ARG 26 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1bfi n GLY 27 N 1.50 2.57 3.48 -0.13 0.00 -0.09 -4.92 105.19 107.60 1bfi n GLY 27 Ca -0.17 -0.73 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.06 2.41 0.68 1.61 -0.14 -1.17 -5.05 119.74 117.03 1bfi s LYS 28 Ca 0.45 -0.76 -0.07 0.00 -1.36 0.00 0.00 55.97 54.23 1bfi s LYS 28 Cb 0.24 -2.34 0.05 0.00 -1.68 0.00 0.00 37.83 34.10 1bfi s LYS 28 CO 0.30 0.60 1.00 1.03 -0.76 0.00 0.00 175.35 177.53 1bfi s ARG 29 N -0.92 2.39 0.40 1.68 0.52 -1.26 -4.92 118.95 116.85 1bfi s ARG 29 Ca 0.12 -0.13 -0.26 0.00 -0.52 0.00 0.00 55.73 54.95 1bfi s ARG 29 Cb -0.11 -2.17 -0.10 0.00 0.52 0.00 0.00 34.95 33.09 1bfi s ARG 29 CO 0.02 -1.12 1.26 -3.47 0.02 0.00 0.00 175.30 172.01 1bfi n ASP 30 N -2.87 2.54 0.00 0.23 -0.08 -1.26 -2.51 116.55 112.60 1bfi n ASP 30 Ca 0.07 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.48 1bfi n ASP 30 Cb 0.60 -1.49 0.00 0.00 2.34 0.00 0.00 41.12 42.57 1bfi n ASP 30 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1bfi n GLY 31 N 0.82 2.21 3.70 0.27 0.00 -1.06 -4.98 105.19 106.15 1bfi n GLY 31 Ca 0.06 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.94 5.00 0.24 2.61 2.01 -1.05 -2.84 115.64 119.68 1bfi s THR 32 Ca 0.00 1.46 0.01 0.00 0.31 0.00 0.00 61.69 63.47 1bfi s THR 32 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.42 1bfi s THR 32 CO 0.00 0.17 0.16 0.72 -0.69 0.00 0.00 174.62 174.99 1bfi s PHE 33 N 1.31 1.35 0.19 4.92 -0.71 -1.10 -2.83 117.98 121.11 1bfi s PHE 33 Ca 0.36 -1.44 -0.01 0.00 -1.04 0.00 0.00 56.93 54.81 1bfi s PHE 33 Cb -0.17 -0.63 -0.04 0.00 -1.21 0.00 0.00 43.02 40.97 1bfi s PHE 33 CO 0.16 -0.67 0.11 -0.48 -1.34 0.00 0.00 175.22 173.00 1bfi s LEU 34 N -3.23 1.29 -0.08 -1.99 2.34 -0.12 -2.17 118.68 114.73 1bfi s LEU 34 Ca 0.39 -1.36 0.05 0.00 0.06 0.00 0.00 54.13 53.27 1bfi s LEU 34 Cb 0.06 0.33 -0.01 0.00 -0.56 0.00 0.00 46.19 46.02 1bfi s LEU 34 CO 0.16 -0.81 -0.24 -0.69 -1.06 0.00 0.00 176.35 173.71 1bfi s VAL 35 N -4.11 2.04 0.00 1.48 1.01 0.69 -1.45 120.40 120.06 1bfi s VAL 35 Ca 0.37 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1bfi s VAL 35 Cb 0.07 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.71 1bfi s VAL 35 CO 0.11 0.56 0.00 0.54 0.00 0.00 0.00 175.10 176.31 1bfi n ARG 36 N 3.21 0.00 -3.70 2.72 1.74 0.20 -1.29 116.66 119.53 1bfi n ARG 36 Ca -0.18 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.67 1bfi n ARG 36 Cb 0.52 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.94 1bfi n ARG 36 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1bfi s GLU 37 N 1.32 2.40 0.00 5.56 0.41 -1.25 -0.98 118.70 126.17 1bfi s GLU 37 Ca 0.00 -1.71 0.00 0.00 -0.41 0.00 0.00 54.97 52.85 1bfi s GLU 37 Cb 0.00 -2.26 0.00 0.00 -1.78 0.00 0.00 34.13 30.09 1bfi s GLU 37 CO 0.00 -0.33 0.70 -1.13 -0.49 0.00 0.00 175.26 174.01 1bfi n SER 38 N -1.60 0.22 0.00 -0.19 3.41 -1.12 -4.16 113.62 110.19 1bfi n SER 38 Ca 0.02 -1.62 0.00 0.00 -0.26 0.00 0.00 58.87 57.02 1bfi n SER 38 Cb 0.63 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1bfi n SER 38 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1bfi n SER 39 N -0.34 0.00 0.00 4.04 2.88 -1.26 -5.00 113.62 113.94 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 0.05 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1bfi n SER 39 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1bfi n LYS 40 N 1.34 0.00 -4.40 -1.46 5.02 -1.26 -4.66 118.16 112.74 1bfi n LYS 40 Ca 0.00 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.96 1bfi n LYS 40 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 34.91 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 0.00 2.74 0.00 1.97 1.11 -1.26 -4.77 119.66 119.45 1bfi s GLN 41 Ca 0.00 -0.61 0.00 0.00 0.01 0.00 0.00 55.36 54.76 1bfi s GLN 41 Cb 0.00 -2.62 0.00 0.00 -1.01 0.00 0.00 33.01 29.38 1bfi s GLN 41 CO 0.00 0.64 0.00 0.41 0.01 0.00 0.00 175.29 176.35 1bfi n GLY 42 N 1.67 1.05 2.15 3.09 0.00 -1.26 -5.05 105.19 106.85 1bfi n GLY 42 Ca -0.16 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.54 2.41 -0.26 0.00 1.51 -1.08 -2.77 117.35 114.61 1bfi s TYR 44 Ca 0.14 -0.32 -0.20 0.00 -1.01 0.00 0.00 57.07 55.68 1bfi s TYR 44 Cb 0.01 -1.19 0.07 0.00 -0.11 0.00 0.00 41.96 40.74 1bfi s TYR 44 CO 0.10 0.50 0.68 0.00 -1.11 0.00 0.00 175.55 175.72 1bfi s ALA 45 N -1.67 -1.75 -0.04 3.71 0.00 -0.15 0.16 121.76 122.01 1bfi s ALA 45 Ca 0.22 2.14 0.04 0.00 0.00 0.00 0.00 51.96 54.37 1bfi s ALA 45 Cb -0.08 -1.26 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 1bfi s ALA 45 CO 0.11 -0.35 -0.16 0.00 0.00 0.00 0.00 175.76 175.36 1bfi s SER 47 N -0.71 4.96 0.15 0.00 0.15 -0.53 0.40 113.70 118.12 1bfi s SER 47 Ca 0.11 -0.03 0.06 0.00 0.70 0.00 0.00 55.95 56.78 1bfi s SER 47 Cb -0.10 -1.66 -0.04 0.00 -1.71 0.00 0.00 66.02 62.51 1bfi s SER 47 CO 0.00 0.24 -0.13 0.54 1.20 0.00 0.00 173.24 175.10 1bfi s VAL 48 N -0.06 1.34 -0.15 4.45 0.11 -0.71 -0.94 120.40 124.44 1bfi s VAL 48 Ca 0.02 -1.94 -0.09 0.00 -2.93 0.00 0.00 61.98 57.04 1bfi s VAL 48 Cb -0.13 -1.74 -0.05 0.00 -1.53 0.00 0.00 36.38 32.93 1bfi s VAL 48 CO 0.02 -0.58 0.16 -0.69 -3.33 0.00 0.00 175.10 170.68 1bfi s VAL 49 N -2.74 5.43 0.13 2.04 1.01 -1.13 -1.55 120.40 123.59 1bfi s VAL 49 Ca 0.14 0.25 0.10 0.00 0.00 0.00 0.00 61.98 62.48 1bfi s VAL 49 Cb -0.01 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 1bfi s VAL 49 CO 0.03 0.52 -0.25 -0.69 0.00 0.00 0.00 175.10 174.71 1bfi s VAL 50 N -0.30 2.13 0.54 2.92 1.01 0.37 -2.55 120.40 124.52 1bfi s VAL 50 Ca 0.12 -1.74 0.14 0.00 0.00 0.00 0.00 61.98 60.50 1bfi s VAL 50 Cb -0.12 -1.91 0.14 0.00 0.00 0.00 0.00 36.38 34.49 1bfi s VAL 50 CO 0.02 0.03 1.38 -0.78 0.00 0.00 0.00 175.10 175.75 1bfi h ASP 51 N 3.85 0.00 0.00 3.32 3.58 -1.94 -0.06 116.42 125.17 1bfi h ASP 51 Ca -0.49 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 56.85 1bfi h ASP 51 Cb 1.18 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.21 1bfi h ASP 51 CO 0.40 0.00 -0.98 0.61 -2.88 0.00 0.00 179.24 176.39 1bfi n GLY 52 N -1.33 -0.82 2.49 -0.78 0.00 -1.26 -5.08 105.19 98.41 1bfi n GLY 52 Ca -0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 1bfi n GLY 52 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1bfi n GLU 53 N -4.51 0.59 -3.14 1.61 0.28 -0.04 -5.14 120.64 110.30 1bfi n GLU 53 Ca -0.20 -1.23 -0.39 0.00 -0.16 0.00 0.00 57.16 55.19 1bfi n GLU 53 Cb 0.48 1.58 -0.06 0.00 1.43 0.00 0.00 31.44 34.87 1bfi n GLU 53 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1bfi s VAL 54 N -2.33 4.80 0.11 3.84 1.01 -1.26 -0.48 120.40 126.09 1bfi s VAL 54 Ca 0.13 1.38 0.03 0.00 0.00 0.00 0.00 61.98 63.52 1bfi s VAL 54 Cb -0.03 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1bfi s VAL 54 CO 0.06 0.43 -0.09 -0.54 0.00 0.00 0.00 175.10 174.95 1bfi s LYS 55 N -0.34 0.90 -0.46 2.72 3.01 -0.60 -4.94 119.74 120.03 1bfi s LYS 55 Ca 0.33 -1.27 -0.03 0.00 -1.01 0.00 0.00 55.97 53.99 1bfi s LYS 55 Cb -0.19 -0.49 0.12 0.00 -1.01 0.00 0.00 37.83 36.26 1bfi s LYS 55 CO 0.20 0.06 0.26 -1.01 0.51 0.00 0.00 175.35 175.36 1bfi s HIS 56 N -2.92 3.54 0.34 3.18 3.76 -1.26 -1.74 115.29 120.19 1bfi s HIS 56 Ca 0.10 -2.51 -0.28 0.00 -0.15 0.00 0.00 55.06 52.22 1bfi s HIS 56 Cb 0.00 -3.21 -0.09 0.00 1.11 0.00 0.00 32.58 30.39 1bfi s HIS 56 CO -0.01 -0.94 1.16 0.00 -0.85 0.00 0.00 174.74 174.11 1bfi s VAL 58 N -1.27 3.13 -0.09 0.00 1.01 -1.26 -0.81 120.40 121.11 1bfi s VAL 58 Ca 0.50 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1bfi s VAL 58 Cb -0.33 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1bfi s VAL 58 CO 0.42 0.55 0.03 -0.63 0.00 0.00 0.00 175.10 175.47 1bfi s ILE 59 N -0.10 4.52 -0.06 2.22 1.01 0.43 -4.77 121.20 124.45 1bfi s ILE 59 Ca -0.01 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 60.51 1bfi s ILE 59 Cb -0.14 -2.92 -0.00 0.00 0.01 0.00 0.00 42.46 39.41 1bfi s ILE 59 CO 0.03 0.60 -0.19 0.20 0.00 0.00 0.00 174.94 175.59 1bfi s ASN 60 N -0.87 2.43 -0.23 3.58 0.02 -0.86 -2.64 114.94 116.37 1bfi s ASN 60 Ca 0.13 -0.41 -0.06 0.00 -1.02 0.00 0.00 52.86 51.50 1bfi s ASN 60 Cb -0.11 -0.77 -0.03 0.00 0.02 0.00 0.00 41.25 40.36 1bfi s ASN 60 CO 0.03 0.16 0.04 -0.54 0.02 0.00 0.00 177.10 176.81 1bfi s LYS 61 N 0.09 3.63 0.39 -0.60 1.02 -1.26 0.84 119.74 123.85 1bfi s LYS 61 Ca -0.07 -0.50 0.04 0.00 0.02 0.00 0.00 55.97 55.46 1bfi s LYS 61 Cb -0.13 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.93 1bfi s LYS 61 CO 0.03 -0.11 0.13 0.95 -0.92 0.00 0.00 175.35 175.43 1bfi s THR 62 N 1.37 0.62 0.54 2.17 -4.23 -1.22 -4.86 115.64 110.02 1bfi s THR 62 Ca 0.05 -2.00 0.40 0.00 -1.18 0.00 0.00 61.69 58.96 1bfi s THR 62 Cb -0.15 -2.41 0.61 0.00 1.34 0.00 0.00 72.50 71.89 1bfi s THR 62 CO 0.02 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.81 1bfi h ALA 63 N 1.87 3.32 0.00 3.99 0.00 -2.06 -2.42 119.26 123.95 1bfi h ALA 63 Ca -0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1bfi h ALA 63 Cb 1.27 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1bfi h ALA 63 CO 0.57 -1.76 0.00 -2.37 0.00 0.00 0.00 179.25 175.69 1bfi n THR 64 N -4.15 0.00 -2.35 0.00 5.66 -1.26 -5.10 114.28 107.08 1bfi n THR 64 Ca 0.33 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.31 1bfi n THR 64 Cb 1.51 0.99 0.01 0.00 -1.55 0.00 0.00 70.33 71.29 1bfi n THR 64 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bfi n GLY 65 N 0.00 0.89 0.00 1.09 0.00 -0.91 -4.73 105.19 101.53 1bfi n GLY 65 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.04 1bfi n GLY 65 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1bfi n TYR 66 N -1.44 0.00 0.00 1.61 4.19 0.25 -3.45 117.16 118.32 1bfi n TYR 66 Ca 0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.22 1bfi n TYR 66 Cb 0.04 0.00 0.00 0.00 0.49 0.00 0.00 39.34 39.87 1bfi n TYR 66 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1bfi n GLY 67 N 0.00 -0.86 3.58 2.98 0.00 -0.68 -2.02 105.19 108.20 1bfi n GLY 67 Ca 0.00 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 0.93 0.73 -1.94 1.61 3.72 -1.26 -4.73 117.46 116.52 1bfi n PHE 68 Ca 0.00 0.51 0.05 0.00 -0.05 0.00 0.00 57.45 57.96 1bfi n PHE 68 Cb 0.00 -2.15 0.10 0.00 -0.94 0.00 0.00 39.48 36.48 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 -0.99 2.75 -0.07 4.37 0.00 -1.26 -4.70 120.51 120.60 1bfi n ALA 69 Ca 0.11 -2.53 -0.09 0.00 0.00 0.00 0.00 53.44 50.93 1bfi n ALA 69 Cb 0.42 -0.53 -0.09 0.00 0.00 0.00 0.00 19.45 19.26 1bfi n ALA 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bfi n GLU 70 N -0.37 1.06 0.00 0.00 4.07 -1.26 -4.64 120.64 119.50 1bfi n GLU 70 Ca 0.11 0.05 -0.09 0.00 -0.06 0.00 0.00 57.16 57.17 1bfi n GLU 70 Cb 0.86 -1.33 -0.14 0.00 -0.06 0.00 0.00 31.44 30.78 1bfi n GLU 70 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1bfi h PRO 71 N 0.00 0.02 -3.35 5.31 0.13 -2.01 -3.48 132.00 128.62 1bfi h PRO 71 Ca -0.36 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 64.69 1bfi h PRO 71 Cb 1.67 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.69 1bfi h PRO 71 CO -0.02 0.66 -0.04 1.52 -0.23 0.00 0.00 178.00 179.89 1bfi s TYR 72 N -2.62 -0.23 -0.41 1.56 -0.85 -1.26 -5.12 117.35 108.40 1bfi s TYR 72 Ca -0.04 -0.07 -0.09 0.00 -0.52 0.00 0.00 57.07 56.34 1bfi s TYR 72 Cb 0.08 0.29 0.07 0.00 0.38 0.00 0.00 41.96 42.79 1bfi s TYR 72 CO 0.82 -0.72 0.25 0.54 -1.52 0.00 0.00 175.55 174.92 1bfi s ASN 73 N -2.80 5.65 -0.11 -0.18 4.22 -1.26 -4.45 114.94 116.00 1bfi s ASN 73 Ca 0.03 -1.43 -0.03 0.00 -2.14 0.00 0.00 52.86 49.28 1bfi s ASN 73 Cb 0.01 -1.99 0.01 0.00 1.28 0.00 0.00 41.25 40.57 1bfi s ASN 73 CO -0.12 -0.52 0.07 -0.11 -2.04 0.00 0.00 177.10 174.39 1bfi n LEU 74 N 4.93 -5.51 -4.60 3.54 7.94 -1.26 -4.84 117.00 117.19 1bfi n LEU 74 Ca -0.10 1.31 -0.35 0.00 -1.11 0.00 0.00 56.01 55.75 1bfi n LEU 74 Cb 0.43 -2.40 0.09 0.00 0.53 0.00 0.00 43.42 42.08 1bfi n LEU 74 CO 0.39 -2.93 0.49 0.00 -1.11 0.00 0.00 177.39 174.23 1bfi n TYR 75 N 1.67 0.54 -0.36 1.96 0.18 -1.26 -4.87 117.16 115.01 1bfi n TYR 75 Ca -0.12 0.39 -0.00 0.00 1.88 0.00 0.00 57.90 60.05 1bfi n TYR 75 Cb 0.30 -2.06 0.13 0.00 -0.38 0.00 0.00 39.34 37.32 1bfi n TYR 75 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 1bfi h SER 76 N -0.34 1.06 -5.12 9.48 4.64 -1.98 -3.45 113.55 117.84 1bfi h SER 76 Ca -0.47 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 60.76 1bfi h SER 76 Cb 1.33 -0.25 -0.14 0.00 -0.31 0.00 0.00 62.40 63.04 1bfi h SER 76 CO 0.46 0.73 -0.27 -0.44 -0.87 0.00 0.00 176.83 176.44 1bfi s SER 77 N -5.99 -0.01 0.40 4.97 0.01 -1.26 -5.03 113.70 106.79 1bfi s SER 77 Ca -0.13 -0.51 0.09 0.00 1.31 0.00 0.00 55.95 56.71 1bfi s SER 77 Cb 0.18 0.38 0.83 0.00 0.21 0.00 0.00 66.02 67.62 1bfi s SER 77 CO 0.81 -0.75 1.97 -0.07 0.41 0.00 0.00 173.24 175.61 1bfi h LEU 78 N 2.68 0.30 -0.76 2.44 3.38 -2.01 -2.26 115.31 119.09 1bfi h LEU 78 Ca -0.34 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.60 1bfi h LEU 78 Cb 1.22 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1bfi h LEU 78 CO 0.52 0.36 0.50 0.11 0.09 0.00 0.00 178.44 180.03 1bfi h LYS 79 N 0.33 1.01 0.00 1.13 1.57 -1.95 -0.47 116.57 118.18 1bfi h LYS 79 Ca 0.08 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1bfi h LYS 79 Cb 0.21 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1bfi h LYS 79 CO 0.00 0.67 -0.25 0.93 -0.57 0.00 0.00 179.45 180.23 1bfi h GLU 80 N 1.04 0.00 -0.41 3.15 4.39 -1.82 -2.35 114.58 118.57 1bfi h GLU 80 Ca 0.28 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.01 1bfi h GLU 80 Cb -0.11 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 1bfi h GLU 80 CO -0.06 0.25 0.22 1.25 -1.16 0.00 0.00 179.01 179.51 1bfi h LEU 81 N 0.00 0.34 -0.11 1.33 6.46 -0.80 1.36 115.31 123.88 1bfi h LEU 81 Ca -0.00 0.01 -0.18 0.00 -0.12 0.00 0.00 57.88 57.59 1bfi h LEU 81 Cb 0.48 -0.05 0.01 0.00 -0.73 0.00 0.00 40.66 40.37 1bfi h LEU 81 CO 0.03 0.24 -0.65 0.58 -0.62 0.00 0.00 178.44 178.02 1bfi h VAL 82 N 0.45 1.33 -0.41 1.05 2.07 -1.34 -2.52 116.25 116.87 1bfi h VAL 82 Ca 0.17 -1.92 -0.05 0.00 0.82 0.00 0.00 66.70 65.72 1bfi h VAL 82 Cb 0.05 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1bfi h VAL 82 CO -0.10 0.59 0.05 -0.07 0.02 0.00 0.00 177.57 178.06 1bfi h LEU 83 N 0.29 0.66 -0.69 2.57 3.38 -1.08 -1.58 115.31 118.86 1bfi h LEU 83 Ca -0.05 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1bfi h LEU 83 Cb 1.30 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1bfi h LEU 83 CO 0.13 0.76 0.34 -0.74 0.09 0.00 0.00 178.44 179.03 1bfi h HIS 84 N 0.53 0.98 0.00 1.13 2.76 0.18 -2.57 115.15 118.16 1bfi h HIS 84 Ca 0.12 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.17 1bfi h HIS 84 Cb 0.39 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1bfi h HIS 84 CO 0.03 0.73 -0.40 1.88 -1.30 0.00 0.00 177.93 178.86 1bfi h TYR 85 N 0.95 0.00 -0.20 5.26 -1.99 -1.30 -1.72 116.97 117.98 1bfi h TYR 85 Ca 0.24 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.91 1bfi h TYR 85 Cb 0.10 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.82 1bfi h TYR 85 CO 0.00 0.40 -0.12 -0.56 -0.00 0.00 0.00 178.16 177.88 1bfi h GLN 86 N 0.00 0.32 0.00 4.88 3.07 -0.86 -2.76 115.11 119.75 1bfi h GLN 86 Ca -0.00 -0.08 -0.29 0.00 0.09 0.00 0.00 58.65 58.37 1bfi h GLN 86 Cb 0.82 -0.04 -0.05 0.00 0.08 0.00 0.00 27.48 28.29 1bfi h GLN 86 CO 0.05 0.45 -1.68 0.45 0.09 0.00 0.00 178.83 178.18 1bfi h HIS 87 N 0.30 0.01 -2.90 0.06 3.86 -1.48 -3.40 115.15 111.59 1bfi h HIS 87 Ca 0.06 -0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.64 1bfi h HIS 87 Cb 0.40 -0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.81 1bfi h HIS 87 CO 0.01 1.01 -0.30 0.95 0.86 0.00 0.00 177.93 180.46 1bfi s THR 88 N -2.60 5.19 0.24 2.45 -4.23 -0.66 -5.06 115.64 110.96 1bfi s THR 88 Ca -0.05 0.60 -0.30 0.00 -1.18 0.00 0.00 61.69 60.77 1bfi s THR 88 Cb 0.08 -3.61 -0.09 0.00 1.34 0.00 0.00 72.50 70.22 1bfi s THR 88 CO 0.82 0.56 0.93 -0.94 -0.54 0.00 0.00 174.62 175.46 1bfi s SER 89 N -1.14 7.62 0.44 3.99 1.04 -1.26 -4.65 113.70 119.75 1bfi s SER 89 Ca 0.22 1.93 0.20 0.00 0.48 0.00 0.00 55.95 58.78 1bfi s SER 89 Cb -0.15 -2.60 1.02 0.00 0.10 0.00 0.00 66.02 64.38 1bfi s SER 89 CO 0.11 0.15 1.91 -0.07 0.98 0.00 0.00 173.24 176.33 1bfi h LEU 90 N 4.12 0.00 0.00 2.42 4.07 -0.81 -3.38 115.31 121.73 1bfi h LEU 90 Ca -0.45 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.51 1bfi h LEU 90 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1bfi h LEU 90 CO 0.68 0.26 0.00 0.52 -1.08 0.00 0.00 178.44 178.81 1bfi n VAL 91 N -3.80 0.00 0.00 1.22 0.31 2.10 -4.39 118.33 113.78 1bfi n VAL 91 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1bfi n VAL 91 Cb 0.35 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 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 -0.22 0.00 -1.32 5.55 1.13 -1.26 -3.02 117.38 118.24 1bfi n GLN 92 Ca 0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 1bfi n GLN 92 Cb 0.00 0.00 0.13 0.00 0.11 0.00 0.00 30.24 30.48 1bfi n GLN 92 CO 0.00 0.00 0.00 -3.38 -1.44 0.00 0.00 177.06 172.24 1bfi s HIS 93 N 0.00 2.45 0.00 1.08 -3.43 -1.26 -2.74 115.29 111.39 1bfi s HIS 93 Ca 0.00 1.18 0.00 0.00 -0.80 0.00 0.00 55.06 55.44 1bfi s HIS 93 Cb 0.00 -3.17 0.00 0.00 -1.43 0.00 0.00 32.58 27.98 1bfi s HIS 93 CO 0.00 -2.26 0.00 0.09 -2.00 0.00 0.00 174.74 170.57 1bfi n ASN 94 N -3.77 -1.63 -1.68 7.38 5.03 -1.26 -3.52 115.26 115.80 1bfi n ASN 94 Ca 0.07 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.52 1bfi n ASN 94 Cb 0.56 -2.54 0.00 0.00 -1.02 0.00 0.00 39.78 36.78 1bfi n ASN 94 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1bfi n ASP 95 N -0.26 -0.58 0.00 6.41 8.00 -1.11 -4.52 116.55 124.50 1bfi n ASP 95 Ca 0.00 0.29 0.00 0.00 0.71 0.00 0.00 54.79 55.79 1bfi n ASP 95 Cb 0.13 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.61 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 -0.78 0.66 -2.97 -2.24 3.41 -1.23 -4.82 113.62 105.65 1bfi n SER 96 Ca 0.00 -1.16 -0.32 0.00 -0.26 0.00 0.00 58.87 57.13 1bfi n SER 96 Cb 0.29 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 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 -0.08 7.60 -4.56 1.04 4.77 -1.17 -4.83 117.00 119.77 1bfi n LEU 97 Ca 0.00 -4.19 -0.39 0.00 -0.03 0.00 0.00 56.01 51.40 1bfi n LEU 97 Cb 0.21 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 39.81 1bfi n LEU 97 CO 0.00 1.96 1.45 0.21 -1.33 0.00 0.00 177.39 179.68 1bfi s ASN 98 N 1.56 6.28 -0.07 -1.43 3.04 -1.26 0.54 114.94 123.60 1bfi s ASN 98 Ca 0.65 -1.31 -0.31 0.00 0.04 0.00 0.00 52.86 51.93 1bfi s ASN 98 Cb 0.23 -2.57 0.11 0.00 -1.54 0.00 0.00 41.25 37.49 1bfi s ASN 98 CO -0.07 -1.71 0.98 0.54 -3.04 0.00 0.00 177.10 173.81 1bfi s VAL 99 N 5.78 0.00 0.10 -5.21 0.11 -1.26 -4.62 120.40 115.31 1bfi s VAL 99 Ca 0.50 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.61 1bfi s VAL 99 Cb -0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1bfi s VAL 99 CO -0.08 0.00 -0.17 0.42 -3.33 0.00 0.00 175.10 171.94 1bfi s THR 100 N -2.76 1.42 -1.43 5.04 -4.23 -1.26 -1.09 115.64 111.33 1bfi s THR 100 Ca 0.06 -1.53 -0.10 0.00 -1.18 0.00 0.00 61.69 58.93 1bfi s THR 100 Cb -0.01 -1.40 0.06 0.00 1.34 0.00 0.00 72.50 72.49 1bfi s THR 100 CO -0.07 -0.22 2.34 0.18 -0.54 0.00 0.00 174.62 176.31 1bfi n LEU 101 N 0.96 7.50 0.03 4.79 4.77 -1.19 -4.47 117.00 129.38 1bfi n LEU 101 Ca -0.19 -4.47 0.06 0.00 -0.03 0.00 0.00 56.01 51.38 1bfi n LEU 101 Cb 0.55 -1.53 -0.09 0.00 -2.33 0.00 0.00 43.42 40.01 1bfi n LEU 101 CO 0.24 1.60 -0.44 0.00 -1.33 0.00 0.00 177.39 177.45 1bfi n ALA 102 N 4.06 2.35 -3.93 -1.18 0.00 -1.22 -4.10 120.51 116.49 1bfi n ALA 102 Ca 0.57 -0.53 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 1bfi n ALA 102 Cb 0.32 -0.85 -0.15 0.00 0.00 0.00 0.00 19.45 18.77 1bfi n ALA 102 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1bfi s TYR 103 N -3.20 3.17 0.47 0.00 2.02 -1.13 -5.05 117.35 113.63 1bfi s TYR 103 Ca -0.05 -2.01 -0.24 0.00 -0.37 0.00 0.00 57.07 54.40 1bfi s TYR 103 Cb 0.10 -1.99 -0.08 0.00 -0.40 0.00 0.00 41.96 39.60 1bfi s TYR 103 CO 0.84 -0.83 1.31 -2.30 -1.57 0.00 0.00 175.55 173.00 1bfi n PRO 104 N 4.54 1.89 0.17 -1.71 -0.02 -1.26 -2.71 135.00 135.89 1bfi n PRO 104 Ca -0.15 0.68 0.03 0.00 -2.02 0.00 0.00 63.50 62.04 1bfi n PRO 104 Cb 0.44 -2.47 0.28 0.00 -0.02 0.00 0.00 33.50 31.74 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 1.88 1.09 -0.29 -1.45 3.04 -0.65 -3.07 116.25 116.81 1bfi h VAL 105 Ca -0.49 -1.70 -0.14 0.00 -1.01 0.00 0.00 66.70 63.35 1bfi h VAL 105 Cb 1.30 1.98 -0.09 0.00 -2.01 0.00 0.00 31.29 32.47 1bfi h VAL 105 CO 0.59 0.45 -0.14 -1.22 -1.01 0.00 0.00 177.57 176.23 1bfi n TYR 106 N -3.66 0.89 -1.77 3.17 4.02 0.13 -5.01 117.16 114.94 1bfi n TYR 106 Ca -0.01 -1.55 -0.42 0.00 -0.01 0.00 0.00 57.90 55.91 1bfi n TYR 106 Cb 0.54 -0.44 -0.03 0.00 -0.02 0.00 0.00 39.34 39.38 1bfi n TYR 106 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bfi s ALA 107 N -3.23 3.89 0.09 -0.72 0.00 -1.16 -4.38 121.76 116.25 1bfi s ALA 107 Ca 0.43 1.55 0.10 0.00 0.00 0.00 0.00 51.96 54.05 1bfi s ALA 107 Cb 0.40 -3.68 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 1bfi s ALA 107 CO -0.01 -0.91 -0.26 -0.65 0.00 0.00 0.00 175.76 173.93 1bfi s GLN 108 N 0.98 1.62 -0.14 0.00 -0.21 -1.26 -5.06 119.66 115.59 1bfi s GLN 108 Ca 0.73 -1.22 -0.10 0.00 0.02 0.00 0.00 55.36 54.79 1bfi s GLN 108 Cb -0.49 -1.95 -0.05 0.00 1.00 0.00 0.00 33.01 31.52 1bfi s GLN 108 CO 0.34 0.48 0.19 -0.65 -2.12 0.00 0.00 175.29 173.53 1bfi s GLN 109 N -1.66 3.90 0.19 2.91 -1.52 -1.26 -4.99 119.66 117.23 1bfi s GLN 109 Ca 0.13 -0.07 -0.08 0.00 -1.95 0.00 0.00 55.36 53.39 1bfi s GLN 109 Cb -0.10 -3.32 0.11 0.00 -0.22 0.00 0.00 33.01 29.48 1bfi s GLN 109 CO 0.04 0.50 1.66 -0.09 -0.25 0.00 0.00 175.29 177.16 1bfi h ARG 110 N 5.86 1.05 0.00 2.91 2.43 -2.01 -3.56 114.38 121.06 1bfi h ARG 110 Ca -0.47 -0.32 0.00 0.00 -0.81 0.00 0.00 59.98 58.38 1bfi h ARG 110 Cb 1.19 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1bfi h ARG 110 CO 0.68 1.02 0.00 -2.13 -1.51 0.00 0.00 179.97 178.03