#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 7.22 -0.29 4.31 2.15 -1.26 -5.02 116.67 123.78 1bfi s ASP 2 Ca 0.00 1.53 -0.11 0.00 0.43 0.00 0.00 52.55 54.41 1bfi s ASP 2 Cb 0.00 -2.55 -0.04 0.00 -0.30 0.00 0.00 42.92 40.03 1bfi s ASP 2 CO 0.00 -0.48 0.18 -0.76 -0.17 0.00 0.00 175.17 173.93 1bfi s LEU 3 N 2.17 4.03 0.12 -1.34 1.43 -1.26 -4.94 118.68 118.88 1bfi s LEU 3 Ca 0.48 -0.17 0.08 0.00 -1.03 0.00 0.00 54.13 53.49 1bfi s LEU 3 Cb -0.18 -2.08 0.41 0.00 0.03 0.00 0.00 46.19 44.37 1bfi s LEU 3 CO 0.17 -0.10 1.21 -2.65 0.23 0.00 0.00 176.35 175.21 1bfi n PRO 4 N 5.04 0.05 0.12 1.29 -0.02 -1.26 -1.93 135.00 138.29 1bfi n PRO 4 Ca -0.14 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1bfi n PRO 4 Cb 0.51 -1.69 0.31 0.00 -0.02 0.00 0.00 33.50 32.61 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 0.20 0.00 6.00 3.86 -1.95 -2.53 115.15 120.73 1bfi h HIS 5 Ca 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1bfi h HIS 5 Cb 0.06 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1bfi h HIS 5 CO 0.00 0.48 0.00 1.12 0.86 0.00 0.00 177.93 180.39 1bfi h HIS 6 N 0.16 0.00 -3.48 2.45 2.07 -1.74 -3.40 115.15 111.22 1bfi h HIS 6 Ca 0.02 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 56.92 1bfi h HIS 6 Cb 0.64 0.00 -0.16 0.00 2.57 0.00 0.00 27.41 30.46 1bfi h HIS 6 CO 0.01 0.00 -0.55 0.34 -3.07 0.00 0.00 177.93 174.66 1bfi s ASP 7 N -4.25 5.76 0.45 3.10 2.15 -0.95 -4.97 116.67 117.96 1bfi s ASP 7 Ca -0.01 0.05 0.20 0.00 0.43 0.00 0.00 52.55 53.22 1bfi s ASP 7 Cb 0.08 -2.02 1.08 0.00 -0.30 0.00 0.00 42.92 41.76 1bfi s ASP 7 CO 0.28 0.09 1.95 -0.33 -0.17 0.00 0.00 175.17 176.99 1bfi h GLU 8 N 7.31 0.00 -0.76 4.34 3.07 -1.85 -2.73 114.58 123.96 1bfi h GLU 8 Ca -0.38 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.45 1bfi h GLU 8 Cb 1.17 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.05 1bfi h GLU 8 CO 0.66 0.23 0.33 0.87 -1.40 0.00 0.00 179.01 179.70 1bfi h LYS 9 N 0.00 1.11 -0.44 2.33 6.56 -1.89 5.77 116.57 130.00 1bfi h LYS 9 Ca -0.00 -0.18 0.03 0.00 -1.06 0.00 0.00 60.65 59.44 1bfi h LYS 9 Cb 0.48 -0.19 -0.02 0.00 -0.57 0.00 0.00 32.23 31.93 1bfi h LYS 9 CO 0.03 0.88 0.29 1.79 -2.06 0.00 0.00 179.45 180.38 1bfi h THR 10 N 1.09 1.05 0.00 -0.16 1.35 -1.46 -3.34 112.91 111.43 1bfi h THR 10 Ca 0.26 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.95 1bfi h THR 10 Cb 0.16 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.09 1bfi h THR 10 CO -0.03 0.09 -0.80 -2.67 -0.25 0.00 0.00 175.52 171.86 1bfi n TRP 11 N -4.48 0.00 -3.12 4.73 4.27 -0.83 -1.16 117.44 116.86 1bfi n TRP 11 Ca 0.05 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.26 1bfi n TRP 11 Cb 0.14 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.04 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 -2.80 6.93 0.00 -0.67 3.84 1.87 0.19 114.94 124.30 1bfi s ASN 12 Ca 0.00 1.12 0.14 0.00 0.21 0.00 0.00 52.86 54.32 1bfi s ASN 12 Cb 0.00 -2.38 -0.05 0.00 -0.55 0.00 0.00 41.25 38.26 1bfi s ASN 12 CO 0.00 -0.06 0.71 1.33 -2.79 0.00 0.00 177.10 176.28 1bfi n VAL 13 N 3.62 0.00 -1.45 -5.21 0.24 -0.98 -4.16 118.33 110.39 1bfi n VAL 13 Ca -0.03 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1bfi n VAL 13 Cb 0.51 1.11 0.00 0.00 -1.47 0.00 0.00 33.84 33.99 1bfi n VAL 13 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bfi n GLY 14 N 1.15 -1.78 3.76 7.63 0.00 -1.26 -4.92 105.19 109.77 1bfi n GLY 14 Ca 0.05 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.96 1bfi n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1bfi s SER 15 N -4.00 4.97 -0.09 1.61 1.04 -1.26 -4.45 113.70 111.52 1bfi s SER 15 Ca 0.00 2.15 -0.30 0.00 0.48 0.00 0.00 55.95 58.28 1bfi s SER 15 Cb 0.00 -2.57 0.09 0.00 0.10 0.00 0.00 66.02 63.64 1bfi s SER 15 CO 0.00 -1.73 0.81 -0.55 0.98 0.00 0.00 173.24 172.74 1bfi s SER 16 N -2.23 -0.54 0.00 7.02 0.15 -1.26 -5.00 113.70 111.84 1bfi s SER 16 Ca 0.71 0.56 0.13 0.00 0.70 0.00 0.00 55.95 58.05 1bfi s SER 16 Cb -0.24 0.45 0.46 0.00 -1.71 0.00 0.00 66.02 64.98 1bfi s SER 16 CO 0.39 -0.52 1.35 0.59 1.20 0.00 0.00 173.24 176.26 1bfi n ASN 17 N 0.78 1.54 0.00 5.45 5.03 -1.26 -4.77 115.26 122.03 1bfi n ASN 17 Ca -0.15 -1.88 0.00 0.00 0.87 0.00 0.00 54.58 53.42 1bfi n ASN 17 Cb 0.58 -0.16 0.00 0.00 -1.02 0.00 0.00 39.78 39.18 1bfi n ASN 17 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1bfi n ARG 18 N 0.30 -1.20 -0.03 3.52 5.12 -1.26 -4.85 116.66 118.27 1bfi n ARG 18 Ca 0.12 0.30 -0.10 0.00 -1.93 0.00 0.00 57.85 56.24 1bfi n ARG 18 Cb 0.27 -4.28 -0.08 0.00 -1.16 0.00 0.00 32.46 27.21 1bfi n ARG 18 CO 0.00 0.00 0.00 -2.95 -1.93 0.00 0.00 177.63 172.75 1bfi h ASN 19 N 0.00 -0.05 0.61 0.55 -1.07 -2.01 -3.02 115.58 110.58 1bfi h ASN 19 Ca 0.00 -0.55 -0.06 0.00 0.07 0.00 0.00 56.30 55.76 1bfi h ASN 19 Cb 0.60 0.01 -0.01 0.00 -2.07 0.00 0.00 38.32 36.85 1bfi h ASN 19 CO 0.00 0.68 -0.28 0.07 0.07 0.00 0.00 177.43 177.97 1bfi h LYS 20 N -0.94 0.00 -0.54 4.14 2.10 -1.99 -2.74 116.57 116.60 1bfi h LYS 20 Ca -0.01 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.70 1bfi h LYS 20 Cb 0.60 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.88 1bfi h LYS 20 CO 0.01 0.28 0.26 0.00 -2.00 0.00 0.00 179.45 178.00 1bfi h ALA 21 N 1.72 0.69 -0.33 0.07 0.00 -1.93 1.45 119.26 120.92 1bfi h ALA 21 Ca -0.00 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1bfi h ALA 21 Cb 0.66 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1bfi h ALA 21 CO 0.04 -0.10 0.19 0.93 0.00 0.00 0.00 179.25 180.31 1bfi h GLU 22 N 0.50 0.38 -0.61 0.00 4.39 -1.35 2.15 114.58 120.03 1bfi h GLU 22 Ca 0.24 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 1bfi h GLU 22 Cb 0.18 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1bfi h GLU 22 CO -0.18 0.25 0.27 -0.91 -1.16 0.00 0.00 179.01 177.28 1bfi h ASN 23 N 0.39 0.82 0.50 1.42 -0.26 -1.22 1.65 115.58 118.88 1bfi h ASN 23 Ca 0.13 -0.15 -0.10 0.00 -0.56 0.00 0.00 56.30 55.62 1bfi h ASN 23 Cb 0.00 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.04 1bfi h ASN 23 CO -0.06 0.74 -0.50 -0.07 -1.06 0.00 0.00 177.43 176.48 1bfi h LEU 24 N 0.84 0.00 0.00 1.61 3.38 0.29 -2.38 115.31 119.05 1bfi h LEU 24 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1bfi h LEU 24 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1bfi h LEU 24 CO -0.02 0.50 -0.65 0.18 0.09 0.00 0.00 178.44 178.53 1bfi n LEU 25 N -3.95 0.62 -4.57 1.67 4.77 0.72 -4.47 117.00 111.79 1bfi n LEU 25 Ca -0.02 0.12 -0.41 0.00 -0.03 0.00 0.00 56.01 55.67 1bfi n LEU 25 Cb 0.51 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.34 1bfi n LEU 25 CO 0.40 0.02 0.34 -0.13 -1.33 0.00 0.00 177.39 176.70 1bfi s ARG 26 N -3.12 3.71 0.00 3.23 0.52 0.56 -3.64 118.95 120.20 1bfi s ARG 26 Ca 0.07 0.04 0.00 0.00 -0.52 0.00 0.00 55.73 55.33 1bfi s ARG 26 Cb 0.15 -3.79 0.00 0.00 0.52 0.00 0.00 34.95 31.83 1bfi s ARG 26 CO 0.73 -0.68 0.00 0.41 0.02 0.00 0.00 175.30 175.78 1bfi n GLY 27 N 4.66 0.71 3.83 -3.53 0.00 -1.26 -4.83 105.19 104.76 1bfi n GLY 27 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.87 3.55 0.69 1.61 -0.14 -1.24 -5.08 119.74 118.27 1bfi s LYS 28 Ca 0.00 -0.18 -0.14 0.00 -1.36 0.00 0.00 55.97 54.29 1bfi s LYS 28 Cb 0.00 -3.20 0.02 0.00 -1.68 0.00 0.00 37.83 32.97 1bfi s LYS 28 CO 0.00 0.67 1.11 1.03 -0.76 0.00 0.00 175.35 177.39 1bfi s ARG 29 N -0.71 2.62 0.41 1.68 0.52 -1.26 -4.91 118.95 117.30 1bfi s ARG 29 Ca 0.13 1.33 -0.26 0.00 -0.52 0.00 0.00 55.73 56.41 1bfi s ARG 29 Cb -0.12 -1.93 -0.10 0.00 0.52 0.00 0.00 34.95 33.32 1bfi s ARG 29 CO 0.03 -1.38 1.35 -3.47 0.02 0.00 0.00 175.30 171.84 1bfi n ASP 30 N -2.75 2.95 0.00 0.23 -0.08 -1.26 -2.48 116.55 113.15 1bfi n ASP 30 Ca 0.10 1.14 0.00 0.00 -1.51 0.00 0.00 54.79 54.52 1bfi n ASP 30 Cb 0.52 -1.54 0.00 0.00 2.34 0.00 0.00 41.12 42.44 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 0.70 2.11 3.66 0.27 0.00 -1.05 -4.97 105.19 105.91 1bfi n GLY 31 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.23 4.68 0.29 2.61 2.01 -1.04 -2.09 115.64 119.89 1bfi s THR 32 Ca 0.00 2.02 0.05 0.00 0.31 0.00 0.00 61.69 64.07 1bfi s THR 32 Cb 0.00 -4.30 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 1bfi s THR 32 CO 0.00 -0.15 0.23 0.72 -0.69 0.00 0.00 174.62 174.73 1bfi s PHE 33 N 3.03 1.59 0.13 4.92 -0.71 -0.66 -2.72 117.98 123.57 1bfi s PHE 33 Ca 0.45 -1.58 -0.13 0.00 -1.04 0.00 0.00 56.93 54.63 1bfi s PHE 33 Cb -0.16 -0.68 0.01 0.00 -1.21 0.00 0.00 43.02 40.99 1bfi s PHE 33 CO 0.08 -0.80 0.33 -0.48 -1.34 0.00 0.00 175.22 173.01 1bfi s LEU 34 N -3.31 0.77 -0.08 -1.99 2.34 0.60 -2.25 118.68 114.76 1bfi s LEU 34 Ca 0.40 -0.55 -0.02 0.00 0.06 0.00 0.00 54.13 54.03 1bfi s LEU 34 Cb 0.04 1.52 -0.03 0.00 -0.56 0.00 0.00 46.19 47.15 1bfi s LEU 34 CO 0.23 -0.85 -0.00 -0.69 -1.06 0.00 0.00 176.35 173.98 1bfi s VAL 35 N -3.86 4.27 0.00 1.48 1.01 0.50 -0.50 120.40 123.31 1bfi s VAL 35 Ca 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1bfi s VAL 35 Cb 0.03 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.61 1bfi s VAL 35 CO -0.08 0.61 0.00 -2.11 0.00 0.00 0.00 175.10 173.51 1bfi n ARG 36 N 2.15 0.00 -3.04 2.72 -4.01 -0.25 -2.33 116.66 111.90 1bfi n ARG 36 Ca -0.19 0.00 -0.18 0.00 -1.04 0.00 0.00 57.85 56.44 1bfi n ARG 36 Cb 0.54 0.00 0.03 0.00 -3.04 0.00 0.00 32.46 29.99 1bfi n ARG 36 CO 0.00 0.00 0.00 -1.21 -3.04 0.00 0.00 177.63 173.38 1bfi s GLU 37 N 0.94 2.56 0.00 2.89 2.02 -1.26 -1.78 118.70 124.07 1bfi s GLU 37 Ca 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 54.97 53.54 1bfi s GLU 37 Cb 0.00 -2.69 0.00 0.00 0.10 0.00 0.00 34.13 31.54 1bfi s GLU 37 CO 0.00 -0.56 0.71 0.43 0.02 0.00 0.00 175.26 175.86 1bfi n SER 38 N -2.04 0.25 0.00 -0.19 7.64 1.45 -4.31 113.62 116.42 1bfi n SER 38 Ca 0.12 -1.67 0.00 0.00 1.01 0.00 0.00 58.87 58.33 1bfi n SER 38 Cb 0.60 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1bfi n SER 38 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1bfi n SER 39 N -0.33 0.00 -0.01 6.43 2.88 -1.26 -3.64 113.62 117.69 1bfi n SER 39 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1bfi n SER 39 Cb 0.06 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 63.89 1bfi n SER 39 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1bfi n LYS 40 N 3.06 0.04 0.02 -1.46 2.85 -1.26 -3.85 118.16 117.56 1bfi n LYS 40 Ca 0.00 -0.02 -0.09 0.00 -1.05 0.00 0.00 58.31 57.15 1bfi n LYS 40 Cb 0.00 -1.50 0.06 0.00 -0.65 0.00 0.00 35.03 32.94 1bfi n LYS 40 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1bfi h GLN 41 N 0.05 0.52 0.00 -1.58 5.75 -1.96 -3.47 115.11 114.41 1bfi h GLN 41 Ca 0.00 -0.34 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 1bfi h GLN 41 Cb 0.50 0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.09 1bfi h GLN 41 CO 0.00 0.95 0.00 0.41 -2.65 0.00 0.00 178.83 177.54 1bfi n GLY 42 N 0.30 1.61 3.87 2.39 0.00 -1.25 -5.01 105.19 107.09 1bfi n GLY 42 Ca -0.03 0.00 -0.31 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 -3.17 3.46 -0.01 0.00 1.51 -0.88 0.43 117.35 118.68 1bfi s TYR 44 Ca 0.55 1.09 -0.29 0.00 -1.01 0.00 0.00 57.07 57.41 1bfi s TYR 44 Cb -0.11 -2.48 0.07 0.00 -0.11 0.00 0.00 41.96 39.33 1bfi s TYR 44 CO 0.54 -0.12 0.65 0.00 -1.11 0.00 0.00 175.55 175.51 1bfi s ALA 45 N -2.37 -1.68 -0.18 3.71 0.00 -0.73 0.10 121.76 120.61 1bfi s ALA 45 Ca 0.52 1.13 -0.02 0.00 0.00 0.00 0.00 51.96 53.59 1bfi s ALA 45 Cb -0.10 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1bfi s ALA 45 CO 0.30 -0.43 -0.09 0.00 0.00 0.00 0.00 175.76 175.55 1bfi s SER 47 N 1.00 6.53 0.23 0.00 0.15 0.35 -0.21 113.70 121.75 1bfi s SER 47 Ca -0.01 0.63 0.01 0.00 0.70 0.00 0.00 55.95 57.28 1bfi s SER 47 Cb -0.15 -2.22 -0.05 0.00 -1.71 0.00 0.00 66.02 61.90 1bfi s SER 47 CO -0.01 0.09 0.07 0.54 1.20 0.00 0.00 173.24 175.13 1bfi s VAL 48 N 0.40 0.52 -0.09 4.45 0.11 -0.93 -0.29 120.40 124.57 1bfi s VAL 48 Ca 0.20 -1.99 0.02 0.00 -2.93 0.00 0.00 61.98 57.28 1bfi s VAL 48 Cb -0.14 -2.48 -0.02 0.00 -1.53 0.00 0.00 36.38 32.22 1bfi s VAL 48 CO 0.06 -0.13 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.85 1bfi s VAL 49 N -3.78 2.87 0.28 2.04 1.01 -1.10 -1.08 120.40 120.65 1bfi s VAL 49 Ca 0.34 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.66 1bfi s VAL 49 Cb 0.07 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1bfi s VAL 49 CO 0.11 0.56 0.03 -0.69 0.00 0.00 0.00 175.10 175.10 1bfi s VAL 50 N -0.11 3.33 -0.11 2.92 1.01 0.16 -2.52 120.40 125.08 1bfi s VAL 50 Ca -0.02 -1.87 -0.01 0.00 0.00 0.00 0.00 61.98 60.08 1bfi s VAL 50 Cb -0.14 -2.88 -0.02 0.00 0.00 0.00 0.00 36.38 33.35 1bfi s VAL 50 CO 0.04 -0.33 1.08 0.47 0.00 0.00 0.00 175.10 176.36 1bfi n ASP 51 N -0.95 0.83 0.00 3.32 8.00 -1.26 -2.45 116.55 124.04 1bfi n ASP 51 Ca -0.06 -1.89 0.00 0.00 0.71 0.00 0.00 54.79 53.55 1bfi n ASP 51 Cb 0.60 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 1bfi n ASP 51 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bfi n GLY 52 N 3.56 1.22 3.36 0.44 0.00 -1.26 -5.10 105.19 107.41 1bfi n GLY 52 Ca 0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 1.13 0.00 1.61 8.01 -1.03 -5.15 118.70 123.28 1bfi s GLU 53 Ca 0.00 -0.75 -0.17 0.00 0.01 0.00 0.00 54.97 54.06 1bfi s GLU 53 Cb 0.00 0.48 -0.06 0.00 -4.31 0.00 0.00 34.13 30.24 1bfi s GLU 53 CO 0.00 -0.45 0.47 0.08 0.01 0.00 0.00 175.26 175.36 1bfi s VAL 54 N -3.82 4.97 0.35 2.63 1.01 -1.26 -0.66 120.40 123.61 1bfi s VAL 54 Ca 0.05 0.97 0.06 0.00 0.00 0.00 0.00 61.98 63.05 1bfi s VAL 54 Cb 0.01 -3.78 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 1bfi s VAL 54 CO -0.10 0.53 0.01 -0.54 0.00 0.00 0.00 175.10 175.00 1bfi s LYS 55 N -0.83 1.76 -0.53 2.72 3.01 -0.24 -4.94 119.74 120.69 1bfi s LYS 55 Ca 0.26 -1.97 0.06 0.00 -1.01 0.00 0.00 55.97 53.31 1bfi s LYS 55 Cb -0.17 -1.27 0.22 0.00 -1.01 0.00 0.00 37.83 35.60 1bfi s LYS 55 CO 0.15 -0.07 0.56 0.72 0.51 0.00 0.00 175.35 177.21 1bfi n HIS 56 N -0.78 1.52 -1.53 3.18 8.25 -1.26 -2.20 115.22 122.40 1bfi n HIS 56 Ca -0.04 -3.85 -0.39 0.00 -0.26 0.00 0.00 57.72 53.18 1bfi n HIS 56 Cb 0.66 -0.36 0.03 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.55 2.71 -0.04 0.00 1.01 -1.26 -0.74 120.40 120.52 1bfi s VAL 58 Ca 0.68 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.90 1bfi s VAL 58 Cb -0.48 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1bfi s VAL 58 CO 0.54 0.56 -0.21 -0.63 0.00 0.00 0.00 175.10 175.36 1bfi s ILE 59 N -0.12 2.49 -0.06 2.22 1.01 0.29 -4.76 121.20 122.26 1bfi s ILE 59 Ca -0.03 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.72 1bfi s ILE 59 Cb -0.14 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.42 1bfi s ILE 59 CO 0.04 0.58 -0.15 0.20 0.00 0.00 0.00 174.94 175.60 1bfi s ASN 60 N -0.58 2.09 -0.27 3.58 0.02 -1.18 -2.08 114.94 116.52 1bfi s ASN 60 Ca 0.08 -0.36 -0.13 0.00 -1.02 0.00 0.00 52.86 51.44 1bfi s ASN 60 Cb -0.11 -0.85 -0.04 0.00 0.02 0.00 0.00 41.25 40.26 1bfi s ASN 60 CO 0.00 0.09 0.29 -0.54 0.02 0.00 0.00 177.10 176.96 1bfi s LYS 61 N 0.43 4.01 0.32 -0.60 1.02 -1.26 0.26 119.74 123.92 1bfi s LYS 61 Ca -0.12 -0.11 -0.11 0.00 0.02 0.00 0.00 55.97 55.65 1bfi s LYS 61 Cb -0.15 -3.64 0.02 0.00 -0.52 0.00 0.00 37.83 33.54 1bfi s LYS 61 CO 0.04 -0.20 0.59 -0.08 -0.92 0.00 0.00 175.35 174.78 1bfi s THR 62 N 1.82 0.00 0.57 2.17 -1.32 -1.26 -4.85 115.64 112.77 1bfi s THR 62 Ca 0.12 -1.32 0.31 0.00 -1.21 0.00 0.00 61.69 59.59 1bfi s THR 62 Cb -0.16 -2.53 0.31 0.00 -1.51 0.00 0.00 72.50 68.62 1bfi s THR 62 CO 0.10 0.00 1.95 0.00 -2.21 0.00 0.00 174.62 174.46 1bfi h ALA 63 N 2.11 1.23 -0.74 11.08 0.00 -2.01 -3.31 119.26 127.62 1bfi h ALA 63 Ca -0.28 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1bfi h ALA 63 Cb 1.25 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.88 1bfi h ALA 63 CO 0.37 -0.23 -0.42 -2.37 0.00 0.00 0.00 179.25 176.59 1bfi n THR 64 N -2.83 0.00 0.00 0.00 5.66 -1.26 -5.05 114.28 110.80 1bfi n THR 64 Ca -0.02 -0.92 0.00 0.00 -3.05 0.00 0.00 64.05 60.06 1bfi n THR 64 Cb 0.29 0.99 0.00 0.00 -1.55 0.00 0.00 70.33 70.06 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 2.71 -1.86 4.26 1.09 0.00 -1.25 -4.97 105.19 105.18 1bfi n GLY 65 Ca 0.16 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 -2.17 0.00 0.00 1.61 4.01 0.72 -3.77 117.16 117.56 1bfi n TYR 66 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1bfi n TYR 66 Cb 0.00 -1.16 0.00 0.00 -0.31 0.00 0.00 39.34 37.87 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 -1.70 1.12 3.71 2.72 0.00 -0.88 -3.10 105.19 107.06 1bfi n GLY 67 Ca 0.00 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 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 3.69 0.00 1.61 0.08 -1.25 -4.76 117.98 117.35 1bfi s PHE 68 Ca 0.00 1.71 0.00 0.00 0.12 0.00 0.00 56.93 58.76 1bfi s PHE 68 Cb 0.00 -3.10 0.00 0.00 -0.57 0.00 0.00 43.02 39.35 1bfi s PHE 68 CO 0.00 0.04 0.00 0.00 -0.10 0.00 0.00 175.22 175.16 1bfi n ALA 69 N 3.67 1.20 -0.11 5.36 0.00 -1.26 -4.42 120.51 124.95 1bfi n ALA 69 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 1bfi n ALA 69 Cb 0.51 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.14 1bfi n ALA 69 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bfi h GLU 70 N 0.00 0.79 0.00 0.00 4.57 -1.97 -3.14 114.58 114.83 1bfi h GLU 70 Ca 0.00 -0.19 -0.03 0.00 -1.18 0.00 0.00 59.36 57.97 1bfi h GLU 70 Cb 0.00 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1bfi h GLU 70 CO 0.00 0.76 -0.59 -1.00 -1.18 0.00 0.00 179.01 177.00 1bfi h PRO 71 N 0.75 0.00 -4.52 0.92 0.13 -2.01 -3.45 132.00 123.82 1bfi h PRO 71 Ca 0.15 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.64 1bfi h PRO 71 Cb 0.37 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.12 1bfi h PRO 71 CO 0.01 0.12 -0.76 0.71 -0.23 0.00 0.00 178.00 177.84 1bfi s TYR 72 N -2.24 3.02 -0.52 1.56 2.02 -1.25 -4.96 117.35 114.98 1bfi s TYR 72 Ca -0.16 -2.34 0.06 0.00 -0.37 0.00 0.00 57.07 54.26 1bfi s TYR 72 Cb 0.02 -2.15 0.42 0.00 -0.40 0.00 0.00 41.96 39.86 1bfi s TYR 72 CO 0.26 -0.87 1.24 0.27 -1.57 0.00 0.00 175.55 174.88 1bfi n ASN 73 N 4.48 3.52 -3.19 2.29 0.23 -1.19 -4.06 115.26 117.34 1bfi n ASN 73 Ca -0.06 -2.58 0.01 0.00 -0.53 0.00 0.00 54.58 51.42 1bfi n ASN 73 Cb 0.43 -0.62 -0.02 0.00 -2.08 0.00 0.00 39.78 37.49 1bfi n ASN 73 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1bfi s LEU 74 N -1.54 -1.36 -0.04 -4.53 2.96 -1.26 -4.50 118.68 108.40 1bfi s LEU 74 Ca 0.30 0.29 -0.12 0.00 -0.22 0.00 0.00 54.13 54.38 1bfi s LEU 74 Cb 0.23 1.86 -0.05 0.00 0.50 0.00 0.00 46.19 48.73 1bfi s LEU 74 CO 0.08 -0.30 0.31 -0.31 -1.32 0.00 0.00 176.35 174.82 1bfi s TYR 75 N 2.77 3.68 0.12 5.38 1.51 -1.26 -5.00 117.35 124.55 1bfi s TYR 75 Ca 0.13 0.83 -0.16 0.00 -1.01 0.00 0.00 57.07 56.86 1bfi s TYR 75 Cb -0.12 -2.17 -0.03 0.00 -0.11 0.00 0.00 41.96 39.53 1bfi s TYR 75 CO -0.25 0.67 1.59 0.66 -1.11 0.00 0.00 175.55 177.11 1bfi h SER 76 N 4.85 0.61 -4.82 2.29 4.64 -2.01 -3.47 113.55 115.64 1bfi h SER 76 Ca -0.52 -0.27 0.12 0.00 -0.47 0.00 0.00 61.79 60.65 1bfi h SER 76 Cb 1.22 -0.16 -0.13 0.00 -0.31 0.00 0.00 62.40 63.02 1bfi h SER 76 CO 0.61 0.73 0.49 -0.94 -0.87 0.00 0.00 176.83 176.84 1bfi s SER 77 N -6.06 -0.32 0.25 4.97 1.04 -1.26 -5.03 113.70 107.29 1bfi s SER 77 Ca -0.13 -0.10 -0.03 0.00 0.48 0.00 0.00 55.95 56.17 1bfi s SER 77 Cb 0.10 0.41 0.30 0.00 0.10 0.00 0.00 66.02 66.93 1bfi s SER 77 CO 0.77 -0.69 1.77 -0.07 0.98 0.00 0.00 173.24 176.00 1bfi h LEU 78 N 2.00 0.84 -0.50 2.42 3.38 -2.00 -1.85 115.31 119.60 1bfi h LEU 78 Ca -0.23 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.58 1bfi h LEU 78 Cb 1.24 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1bfi h LEU 78 CO 0.30 0.86 0.30 0.50 0.09 0.00 0.00 178.44 180.49 1bfi h LYS 79 N 0.84 0.59 0.00 1.13 3.64 -1.96 -0.85 116.57 119.96 1bfi h LYS 79 Ca 0.17 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1bfi h LYS 79 Cb 0.39 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1bfi h LYS 79 CO 0.01 0.39 -0.33 0.93 -2.27 0.00 0.00 179.45 178.18 1bfi h GLU 80 N 0.60 0.00 -0.66 1.90 5.08 -1.90 -2.87 114.58 116.73 1bfi h GLU 80 Ca 0.20 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1bfi h GLU 80 Cb 0.01 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1bfi h GLU 80 CO -0.08 0.33 0.41 1.25 -1.00 0.00 0.00 179.01 179.91 1bfi h LEU 81 N 0.00 0.66 -0.36 1.33 6.46 -0.31 0.52 115.31 123.61 1bfi h LEU 81 Ca -0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 1bfi h LEU 81 Cb 0.61 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.38 1bfi h LEU 81 CO 0.04 0.46 0.02 0.58 -0.62 0.00 0.00 178.44 178.92 1bfi h VAL 82 N 0.80 1.25 -0.42 1.05 2.07 -1.28 -1.75 116.25 117.97 1bfi h VAL 82 Ca 0.26 -0.93 -0.09 0.00 0.82 0.00 0.00 66.70 66.77 1bfi h VAL 82 Cb 0.02 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1bfi h VAL 82 CO -0.11 0.31 -0.08 -0.07 0.02 0.00 0.00 177.57 177.65 1bfi h LEU 83 N 0.44 0.80 -1.02 2.57 -0.00 -1.41 -2.96 115.31 113.73 1bfi h LEU 83 Ca 0.10 -0.35 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 1bfi h LEU 83 Cb 0.42 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 40.82 1bfi h LEU 83 CO 0.01 0.97 0.62 -0.74 -0.00 0.00 0.00 178.44 179.30 1bfi h HIS 84 N 0.63 1.23 0.00 1.13 2.76 0.13 -2.68 115.15 118.35 1bfi h HIS 84 Ca 0.11 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.24 1bfi h HIS 84 Cb 0.60 -0.41 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1bfi h HIS 84 CO 0.05 0.79 -0.30 1.88 -1.30 0.00 0.00 177.93 179.04 1bfi h TYR 85 N 1.32 0.00 -0.05 5.26 -1.99 -1.20 -3.13 116.97 117.17 1bfi h TYR 85 Ca 0.35 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 61.07 1bfi h TYR 85 Cb -0.12 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.60 1bfi h TYR 85 CO 0.00 0.30 -0.03 -0.56 -0.00 0.00 0.00 178.16 177.88 1bfi h GLN 86 N 0.00 0.07 -0.01 4.88 3.07 -1.32 -0.74 115.11 121.07 1bfi h GLN 86 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1bfi h GLN 86 Cb 0.79 -0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.33 1bfi h GLN 86 CO 0.04 0.11 -0.35 -2.39 0.09 0.00 0.00 178.83 176.33 1bfi n HIS 87 N -4.46 0.00 -3.78 0.06 1.44 -1.19 -4.47 115.22 102.82 1bfi n HIS 87 Ca -0.02 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.32 1bfi n HIS 87 Cb 0.14 -0.10 -0.06 0.00 0.12 0.00 0.00 29.99 30.09 1bfi n HIS 87 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1bfi s THR 88 N -2.55 5.39 -0.21 0.61 -4.23 -0.29 -5.07 115.64 109.29 1bfi s THR 88 Ca 0.22 0.36 -0.12 0.00 -1.18 0.00 0.00 61.69 60.96 1bfi s THR 88 Cb 0.19 -3.48 -0.05 0.00 1.34 0.00 0.00 72.50 70.50 1bfi s THR 88 CO 0.56 0.61 0.24 -0.55 -0.54 0.00 0.00 174.62 174.93 1bfi s SER 89 N -1.01 6.27 0.59 3.99 0.15 -1.26 -4.29 113.70 118.14 1bfi s SER 89 Ca 0.17 0.31 0.37 0.00 0.70 0.00 0.00 55.95 57.50 1bfi s SER 89 Cb -0.13 -2.15 1.70 0.00 -1.71 0.00 0.00 66.02 63.73 1bfi s SER 89 CO 0.06 0.05 2.11 -0.07 1.20 0.00 0.00 173.24 176.59 1bfi h LEU 90 N 7.27 0.00 0.00 3.45 3.38 -0.66 -3.36 115.31 125.40 1bfi h LEU 90 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1bfi h LEU 90 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1bfi h LEU 90 CO 0.71 0.00 0.00 0.55 0.09 0.00 0.00 178.44 179.79 1bfi n VAL 91 N -3.09 0.00 -0.85 1.22 3.14 2.35 -4.33 118.33 116.77 1bfi n VAL 91 Ca -0.01 0.00 -0.28 0.00 -2.96 0.00 0.00 64.34 61.09 1bfi n VAL 91 Cb 0.23 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.03 1bfi n VAL 91 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 1bfi n GLN 92 N -2.13 0.00 -2.37 1.45 -0.06 -1.26 -2.61 117.38 110.39 1bfi n GLN 92 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.99 1bfi n GLN 92 Cb 0.00 -0.76 -0.01 0.00 -4.06 0.00 0.00 30.24 25.41 1bfi n GLN 92 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 1bfi n HIS 93 N -1.52 -3.75 -3.14 3.69 -0.00 -1.26 -4.46 115.22 104.77 1bfi n HIS 93 Ca 0.02 2.22 -0.06 0.00 0.46 0.00 0.00 57.72 60.37 1bfi n HIS 93 Cb 0.39 -3.25 0.00 0.00 -0.12 0.00 0.00 29.99 27.02 1bfi n HIS 93 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 1bfi n ASN 94 N 1.90 -7.35 0.16 0.26 3.02 -1.26 -4.31 115.26 107.68 1bfi n ASN 94 Ca -0.07 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 1bfi n ASN 94 Cb 0.11 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.56 1bfi n ASN 94 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1bfi n ASP 95 N -1.62 0.00 -0.27 6.41 8.00 -1.07 0.46 116.55 128.45 1bfi n ASP 95 Ca -0.03 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.72 1bfi n ASP 95 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 -1.48 0.48 -2.25 -2.24 3.41 -1.26 -3.69 113.62 106.60 1bfi n SER 96 Ca 0.00 -1.74 -0.29 0.00 -0.26 0.00 0.00 58.87 56.58 1bfi n SER 96 Cb 0.49 -0.24 0.05 0.00 -0.26 0.00 0.00 64.21 64.25 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 -0.19 7.18 -4.52 1.04 4.77 0.17 -4.83 117.00 120.62 1bfi n LEU 97 Ca 0.00 -3.98 -0.41 0.00 -0.03 0.00 0.00 56.01 51.59 1bfi n LEU 97 Cb 0.12 -1.03 -0.01 0.00 -2.33 0.00 0.00 43.42 40.17 1bfi n LEU 97 CO 0.00 1.43 1.96 0.59 -1.33 0.00 0.00 177.39 180.04 1bfi n ASN 98 N -0.31 4.58 -3.65 -1.43 3.02 -1.24 0.57 115.26 116.80 1bfi n ASN 98 Ca 0.50 -2.88 -0.11 0.00 -0.03 0.00 0.00 54.58 52.05 1bfi n ASN 98 Cb 0.58 -1.74 -0.05 0.00 -0.61 0.00 0.00 39.78 37.97 1bfi n ASN 98 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bfi s VAL 99 N 5.18 0.07 0.14 2.41 0.11 -1.26 -4.79 120.40 122.25 1bfi s VAL 99 Ca 0.56 -0.54 0.05 0.00 -2.93 0.00 0.00 61.98 59.12 1bfi s VAL 99 Cb 0.04 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.76 1bfi s VAL 99 CO 0.08 -0.30 -0.12 0.42 -3.33 0.00 0.00 175.10 171.85 1bfi s THR 100 N -3.28 1.28 -1.48 5.04 -4.23 -1.26 -1.19 115.64 110.52 1bfi s THR 100 Ca -0.00 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 58.49 1bfi s THR 100 Cb 0.01 -1.70 0.02 0.00 1.34 0.00 0.00 72.50 72.17 1bfi s THR 100 CO -0.08 -0.58 2.45 0.18 -0.54 0.00 0.00 174.62 176.04 1bfi n LEU 101 N 0.14 7.60 -0.08 4.79 4.77 -1.19 -4.50 117.00 128.52 1bfi n LEU 101 Ca -0.13 -4.35 -0.06 0.00 -0.03 0.00 0.00 56.01 51.44 1bfi n LEU 101 Cb 0.59 -1.57 -0.15 0.00 -2.33 0.00 0.00 43.42 39.96 1bfi n LEU 101 CO 0.30 1.56 -1.04 0.00 -1.33 0.00 0.00 177.39 176.88 1bfi n ALA 102 N 4.55 1.74 -3.10 -1.18 0.00 -1.26 -3.77 120.51 117.49 1bfi n ALA 102 Ca 0.60 -1.10 -0.34 0.00 0.00 0.00 0.00 53.44 52.60 1bfi n ALA 102 Cb 0.32 -0.23 -0.13 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.60 2.97 0.42 0.00 5.04 -0.89 -5.03 117.35 117.27 1bfi s TYR 103 Ca -0.09 -0.51 -0.23 0.00 -2.44 0.00 0.00 57.07 53.80 1bfi s TYR 103 Cb 0.07 -1.99 -0.09 0.00 0.35 0.00 0.00 41.96 40.30 1bfi s TYR 103 CO 0.77 -0.20 1.05 -1.25 -1.34 0.00 0.00 175.55 174.58 1bfi s PRO 104 N 0.69 4.07 0.05 4.97 0.04 -1.26 -1.65 135.00 141.91 1bfi s PRO 104 Ca -0.03 1.50 0.04 0.00 0.04 0.00 0.00 61.00 62.56 1bfi s PRO 104 Cb -0.15 -2.44 -0.24 0.00 0.04 0.00 0.00 34.50 31.71 1bfi s PRO 104 CO 0.02 -0.22 1.02 -0.24 0.04 0.00 0.00 177.00 177.62 1bfi h VAL 105 N 2.05 1.36 -2.09 -0.36 3.04 -0.74 -3.39 116.25 116.11 1bfi h VAL 105 Ca -0.49 -3.07 -0.53 0.00 -1.01 0.00 0.00 66.70 61.60 1bfi h VAL 105 Cb 1.22 2.75 -0.41 0.00 -2.01 0.00 0.00 31.29 32.83 1bfi h VAL 105 CO 0.61 0.82 -0.91 -1.22 -1.01 0.00 0.00 177.57 175.87 1bfi n TYR 106 N -3.33 2.20 -3.58 3.17 4.01 -0.31 -5.04 117.16 114.29 1bfi n TYR 106 Ca -0.09 -3.85 -0.35 0.00 -0.16 0.00 0.00 57.90 53.45 1bfi n TYR 106 Cb 1.00 -0.44 -0.05 0.00 -0.31 0.00 0.00 39.34 39.53 1bfi n TYR 106 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1bfi s ALA 107 N -3.00 3.73 0.23 -0.72 0.00 -1.25 -3.26 121.76 117.50 1bfi s ALA 107 Ca 0.44 -0.37 0.11 0.00 0.00 0.00 0.00 51.96 52.14 1bfi s ALA 107 Cb 0.32 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 1bfi s ALA 107 CO -0.11 0.56 -0.15 -0.65 0.00 0.00 0.00 175.76 175.41 1bfi s GLN 108 N -1.80 1.83 -0.12 0.00 -0.21 -1.26 -5.03 119.66 113.07 1bfi s GLN 108 Ca 0.32 -1.52 -0.30 0.00 0.02 0.00 0.00 55.36 53.88 1bfi s GLN 108 Cb -0.14 -1.95 -0.01 0.00 1.00 0.00 0.00 33.01 31.90 1bfi s GLN 108 CO 0.17 0.38 1.10 -1.14 -2.12 0.00 0.00 175.29 173.68 1bfi s GLN 109 N -3.14 4.36 0.32 2.91 2.00 -1.26 -5.02 119.66 119.83 1bfi s GLN 109 Ca 0.26 1.50 0.03 0.00 -2.00 0.00 0.00 55.36 55.16 1bfi s GLN 109 Cb -0.07 -3.58 -0.06 0.00 0.80 0.00 0.00 33.01 30.10 1bfi s GLN 109 CO 0.14 -0.44 0.07 1.03 -0.50 0.00 0.00 175.29 175.59 1bfi s ARG 110 N 2.40 1.65 0.00 1.67 0.52 -1.26 -5.30 118.95 118.63 1bfi s ARG 110 Ca 0.51 -1.92 0.00 0.00 -0.52 0.00 0.00 55.73 53.80 1bfi s ARG 110 Cb -0.20 -0.79 0.00 0.00 0.52 0.00 0.00 34.95 34.48 1bfi s ARG 110 CO 0.17 -0.22 0.00 -2.13 0.02 0.00 0.00 175.30 173.14