#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 6.73 -0.19 4.31 -1.08 -1.26 -4.98 116.67 120.20 1bfi s ASP 2 Ca 0.00 2.52 -0.16 0.00 -0.52 0.00 0.00 52.55 54.39 1bfi s ASP 2 Cb 0.00 -2.61 -0.04 0.00 -1.46 0.00 0.00 42.92 38.81 1bfi s ASP 2 CO 0.00 -0.68 0.39 -0.76 0.52 0.00 0.00 175.17 174.64 1bfi s LEU 3 N 0.36 4.18 0.14 -1.34 1.02 -1.26 -4.93 118.68 116.85 1bfi s LEU 3 Ca 0.62 0.54 0.07 0.00 0.02 0.00 0.00 54.13 55.38 1bfi s LEU 3 Cb -0.40 -2.50 0.38 0.00 0.02 0.00 0.00 46.19 43.68 1bfi s LEU 3 CO 0.36 -0.04 1.11 -2.65 0.02 0.00 0.00 176.35 175.15 1bfi n PRO 4 N 4.25 0.05 0.13 1.29 -0.02 -1.26 -1.36 135.00 138.07 1bfi n PRO 4 Ca -0.09 0.47 0.02 0.00 -2.02 0.00 0.00 63.50 61.88 1bfi n PRO 4 Cb 0.51 -1.81 0.37 0.00 -0.02 0.00 0.00 33.50 32.56 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 0.22 0.00 6.00 3.86 -1.98 -1.31 115.15 121.94 1bfi h HIS 5 Ca 0.00 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1bfi h HIS 5 Cb 0.31 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 1bfi h HIS 5 CO 0.00 0.39 -0.02 0.45 0.86 0.00 0.00 177.93 179.62 1bfi h HIS 6 N 0.19 0.00 -3.57 2.45 3.86 -1.63 -3.39 115.15 113.07 1bfi h HIS 6 Ca 0.03 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.61 1bfi h HIS 6 Cb 0.46 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.79 1bfi h HIS 6 CO 0.01 0.02 0.14 -0.51 0.86 0.00 0.00 177.93 178.44 1bfi s ASP 7 N -5.61 6.42 0.21 2.45 1.01 -0.49 -4.93 116.67 115.73 1bfi s ASP 7 Ca -0.04 0.12 -0.05 0.00 0.71 0.00 0.00 52.55 53.29 1bfi s ASP 7 Cb 0.13 -2.32 0.19 0.00 1.01 0.00 0.00 42.92 41.92 1bfi s ASP 7 CO 0.48 -0.60 1.65 -0.08 0.21 0.00 0.00 175.17 176.83 1bfi h GLU 8 N 8.48 0.82 0.00 8.23 4.81 -1.83 -2.75 114.58 132.35 1bfi h GLU 8 Ca -0.26 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 58.63 1bfi h GLU 8 Cb 1.11 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 1bfi h GLU 8 CO 0.84 0.93 -0.13 1.57 -0.73 0.00 0.00 179.01 181.49 1bfi h LYS 9 N 0.73 0.00 -0.53 1.92 2.10 -1.92 1.98 116.57 120.85 1bfi h LYS 9 Ca 0.11 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.78 1bfi h LYS 9 Cb 0.67 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.98 1bfi h LYS 9 CO 0.05 0.13 0.35 1.79 -2.00 0.00 0.00 179.45 179.77 1bfi h THR 10 N 0.00 1.11 0.00 0.07 1.35 -1.73 -3.21 112.91 110.50 1bfi h THR 10 Ca -0.00 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1bfi h THR 10 Cb 0.24 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.03 1bfi h THR 10 CO 0.02 0.13 0.00 -2.67 -0.25 0.00 0.00 175.52 172.74 1bfi n TRP 11 N -4.46 0.00 -3.55 4.73 4.27 -0.96 0.10 117.44 117.57 1bfi n TRP 11 Ca 0.05 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.30 1bfi n TRP 11 Cb 0.08 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 29.95 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 -0.43 6.38 -0.00 -0.67 3.84 0.67 0.13 114.94 124.86 1bfi s ASN 12 Ca 0.00 0.44 0.14 0.00 0.21 0.00 0.00 52.86 53.65 1bfi s ASN 12 Cb 0.00 -2.17 -0.16 0.00 -0.55 0.00 0.00 41.25 38.37 1bfi s ASN 12 CO 0.00 0.09 0.52 0.52 -2.79 0.00 0.00 177.10 175.44 1bfi n VAL 13 N 3.70 0.00 -4.38 -5.21 0.31 0.16 -4.51 118.33 108.41 1bfi n VAL 13 Ca -0.12 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 1bfi n VAL 13 Cb 0.52 0.83 0.00 0.00 -0.91 0.00 0.00 33.84 34.28 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 1.40 -0.16 3.77 2.92 0.00 -1.25 -4.75 105.19 107.13 1bfi n GLY 14 Ca 0.02 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 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 6.48 0.05 1.61 1.04 -1.26 -4.14 113.70 113.48 1bfi s SER 15 Ca 0.00 2.48 -0.24 0.00 0.48 0.00 0.00 55.95 58.67 1bfi s SER 15 Cb 0.00 -2.63 0.06 0.00 0.10 0.00 0.00 66.02 63.55 1bfi s SER 15 CO 0.00 -0.72 0.57 -0.94 0.98 0.00 0.00 173.24 173.14 1bfi s SER 16 N -0.93 -0.52 -0.11 7.02 1.04 -1.26 -5.01 113.70 113.93 1bfi s SER 16 Ca 0.56 0.25 0.06 0.00 0.48 0.00 0.00 55.95 57.31 1bfi s SER 16 Cb -0.34 0.53 0.37 0.00 0.10 0.00 0.00 66.02 66.68 1bfi s SER 16 CO 0.43 -0.75 1.07 -3.20 0.98 0.00 0.00 173.24 171.77 1bfi n ASN 17 N 0.33 3.14 0.00 7.02 5.15 -1.26 -4.84 115.26 124.80 1bfi n ASN 17 Ca -0.18 -2.42 0.00 0.00 -0.60 0.00 0.00 54.58 51.38 1bfi n ASN 17 Cb 0.61 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 39.28 1bfi n ASN 17 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1bfi n ARG 18 N 0.29 0.00 -0.06 1.20 1.74 -1.26 -4.63 116.66 113.94 1bfi n ARG 18 Ca 0.13 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.09 1bfi n ARG 18 Cb 0.68 -3.62 -0.06 0.00 -1.02 0.00 0.00 32.46 28.43 1bfi n ARG 18 CO 0.00 0.00 0.00 -0.97 -1.52 0.00 0.00 177.63 175.14 1bfi h ASN 19 N 0.00 0.35 0.34 0.55 -0.73 -2.02 -2.36 115.58 111.71 1bfi h ASN 19 Ca 0.00 -0.37 -0.04 0.00 1.87 0.00 0.00 56.30 57.76 1bfi h ASN 19 Cb 0.00 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.49 1bfi h ASN 19 CO 0.00 0.64 -0.20 0.07 -0.37 0.00 0.00 177.43 177.57 1bfi h LYS 20 N 0.05 0.00 -0.67 6.67 2.10 -1.97 -2.34 116.57 120.41 1bfi h LYS 20 Ca 0.04 0.00 0.05 0.00 -2.00 0.00 0.00 60.65 58.74 1bfi h LYS 20 Cb 0.49 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.77 1bfi h LYS 20 CO 0.02 0.20 0.38 0.00 -2.00 0.00 0.00 179.45 178.05 1bfi h ALA 21 N 1.80 0.88 -0.48 0.07 0.00 -1.78 1.48 119.26 121.25 1bfi h ALA 21 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1bfi h ALA 21 Cb 0.42 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1bfi h ALA 21 CO 0.03 0.08 0.28 0.93 0.00 0.00 0.00 179.25 180.57 1bfi h GLU 22 N 0.72 0.66 -0.34 0.00 4.39 -1.28 2.44 114.58 121.16 1bfi h GLU 22 Ca 0.29 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.90 1bfi h GLU 22 Cb 0.14 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1bfi h GLU 22 CO -0.16 0.49 0.13 -0.91 -1.16 0.00 0.00 179.01 177.40 1bfi h ASN 23 N 0.63 0.48 -0.26 1.42 2.35 -1.11 1.88 115.58 120.97 1bfi h ASN 23 Ca 0.17 -0.18 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 1bfi h ASN 23 Cb 0.01 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1bfi h ASN 23 CO -0.03 0.53 -0.19 -0.07 -1.65 0.00 0.00 177.43 176.03 1bfi h LEU 24 N 0.41 0.72 -0.02 1.61 3.38 0.26 -1.52 115.31 120.14 1bfi h LEU 24 Ca 0.11 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1bfi h LEU 24 Cb 0.21 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1bfi h LEU 24 CO -0.01 0.90 -0.09 0.18 0.09 0.00 0.00 178.44 179.51 1bfi n LEU 25 N -4.13 0.12 -4.57 1.67 4.77 0.82 -4.24 117.00 111.43 1bfi n LEU 25 Ca 0.00 0.35 -0.36 0.00 -0.03 0.00 0.00 56.01 55.97 1bfi n LEU 25 Cb 0.40 -0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1bfi n LEU 25 CO 0.43 0.03 -0.22 -0.13 -1.33 0.00 0.00 177.39 176.17 1bfi s ARG 26 N -2.90 3.89 0.00 3.23 1.81 0.63 -4.14 118.95 121.48 1bfi s ARG 26 Ca 0.17 -0.36 0.00 0.00 -1.72 0.00 0.00 55.73 53.81 1bfi s ARG 26 Cb 0.19 -3.43 0.00 0.00 -0.45 0.00 0.00 34.95 31.26 1bfi s ARG 26 CO 0.54 -0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.55 1bfi n GLY 27 N 4.50 0.53 3.86 -3.53 0.00 -1.26 -4.78 105.19 104.50 1bfi n GLY 27 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.84 3.61 0.75 1.61 -0.14 -1.26 -5.08 119.74 118.38 1bfi s LYS 28 Ca 0.00 -0.03 -0.11 0.00 -1.36 0.00 0.00 55.97 54.47 1bfi s LYS 28 Cb 0.00 -3.22 0.04 0.00 -1.68 0.00 0.00 37.83 32.97 1bfi s LYS 28 CO 0.00 0.71 1.08 1.03 -0.76 0.00 0.00 175.35 177.41 1bfi s ARG 29 N -0.89 2.49 0.63 1.68 1.81 -1.26 -4.94 118.95 118.46 1bfi s ARG 29 Ca 0.16 0.95 -0.19 0.00 -1.72 0.00 0.00 55.73 54.93 1bfi s ARG 29 Cb -0.13 -1.94 -0.02 0.00 -0.45 0.00 0.00 34.95 32.41 1bfi s ARG 29 CO 0.05 -1.42 1.22 -0.40 -0.68 0.00 0.00 175.30 174.07 1bfi n ASP 30 N -3.34 1.81 0.00 0.23 5.75 -1.26 -2.50 116.55 117.24 1bfi n ASP 30 Ca 0.08 0.84 0.00 0.00 -0.01 0.00 0.00 54.79 55.70 1bfi n ASP 30 Cb 0.54 -1.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.11 1bfi n ASP 30 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bfi n GLY 31 N 1.00 3.21 3.66 6.12 0.00 -1.03 -4.98 105.19 113.17 1bfi n GLY 31 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.91 4.70 0.18 2.61 2.01 -1.04 -2.12 115.64 119.07 1bfi s THR 32 Ca 0.00 1.98 0.05 0.00 0.31 0.00 0.00 61.69 64.03 1bfi s THR 32 Cb 0.00 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 1bfi s THR 32 CO 0.00 -0.16 -0.08 0.72 -0.69 0.00 0.00 174.62 174.41 1bfi s PHE 33 N 3.08 1.42 0.25 4.92 -0.71 -0.82 -3.03 117.98 123.09 1bfi s PHE 33 Ca 0.43 -0.78 0.02 0.00 -1.04 0.00 0.00 56.93 55.57 1bfi s PHE 33 Cb -0.15 -0.75 -0.05 0.00 -1.21 0.00 0.00 43.02 40.86 1bfi s PHE 33 CO 0.07 0.09 0.05 -0.48 -1.34 0.00 0.00 175.22 173.60 1bfi s LEU 34 N -3.23 1.96 -0.06 -1.99 2.34 -0.17 -1.92 118.68 115.60 1bfi s LEU 34 Ca 0.21 -1.30 0.02 0.00 0.06 0.00 0.00 54.13 53.12 1bfi s LEU 34 Cb 0.03 -0.14 0.02 0.00 -0.56 0.00 0.00 46.19 45.54 1bfi s LEU 34 CO 0.04 -0.62 -0.09 -0.69 -1.06 0.00 0.00 176.35 173.93 1bfi s VAL 35 N -3.57 0.91 0.00 1.48 1.01 0.35 -1.54 120.40 119.04 1bfi s VAL 35 Ca 0.33 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1bfi s VAL 35 Cb 0.07 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1bfi s VAL 35 CO 0.11 0.31 0.00 0.54 0.00 0.00 0.00 175.10 176.06 1bfi n ARG 36 N 3.96 2.10 -3.49 2.72 1.74 -0.13 0.40 116.66 123.97 1bfi n ARG 36 Ca -0.23 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.64 1bfi n ARG 36 Cb 0.51 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.95 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 2.07 2.47 0.00 5.56 0.41 -1.26 -2.98 118.70 124.97 1bfi s GLU 37 Ca 0.00 -1.63 0.13 0.00 -0.41 0.00 0.00 54.97 53.06 1bfi s GLU 37 Cb 0.00 -2.40 0.79 0.00 -1.78 0.00 0.00 34.13 30.74 1bfi s GLU 37 CO 0.00 -0.41 1.44 -1.13 -0.49 0.00 0.00 175.26 174.67 1bfi n SER 38 N -1.74 0.00 0.00 -0.19 3.41 1.07 -3.69 113.62 112.48 1bfi n SER 38 Ca 0.05 -1.40 0.00 0.00 -0.26 0.00 0.00 58.87 57.26 1bfi n SER 38 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 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 -0.73 0.00 0.00 4.04 3.41 -1.26 -4.09 113.62 114.99 1bfi n SER 39 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 1bfi n SER 39 Cb 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1bfi n SER 39 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1bfi n LYS 40 N 0.00 -0.64 0.12 4.33 2.85 -1.26 -4.61 118.16 118.95 1bfi n LYS 40 Ca 0.00 -0.52 0.13 0.00 -1.05 0.00 0.00 58.31 56.86 1bfi n LYS 40 Cb 0.00 -0.95 0.38 0.00 -0.65 0.00 0.00 35.03 33.81 1bfi n LYS 40 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1bfi h GLN 41 N 0.00 0.00 0.00 -1.58 4.20 -1.98 -3.46 115.11 112.29 1bfi h GLN 41 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1bfi h GLN 41 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1bfi h GLN 41 CO 0.00 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.57 1bfi n GLY 42 N 1.18 1.86 3.97 3.46 0.00 -1.26 -5.03 105.19 109.36 1bfi n GLY 42 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.39 2.86 -0.07 0.00 2.02 -0.99 0.35 117.35 118.13 1bfi s TYR 44 Ca 0.68 -0.12 -0.04 0.00 -0.37 0.00 0.00 57.07 57.23 1bfi s TYR 44 Cb -0.05 -1.41 0.03 0.00 -0.40 0.00 0.00 41.96 40.13 1bfi s TYR 44 CO 0.47 0.50 0.15 0.00 -1.57 0.00 0.00 175.55 175.11 1bfi s ALA 45 N -1.60 -0.32 -0.08 3.71 0.00 -1.16 0.19 121.76 122.50 1bfi s ALA 45 Ca 0.26 0.62 0.03 0.00 0.00 0.00 0.00 51.96 52.88 1bfi s ALA 45 Cb -0.10 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1bfi s ALA 45 CO 0.18 -0.13 -0.17 0.00 0.00 0.00 0.00 175.76 175.64 1bfi s SER 47 N -0.14 6.43 0.18 0.00 0.01 -0.59 -0.70 113.70 118.89 1bfi s SER 47 Ca -0.02 0.44 0.06 0.00 1.31 0.00 0.00 55.95 57.74 1bfi s SER 47 Cb -0.14 -2.04 -0.05 0.00 0.21 0.00 0.00 66.02 64.01 1bfi s SER 47 CO 0.04 0.23 -0.11 -0.69 0.41 0.00 0.00 173.24 173.13 1bfi s VAL 48 N -1.36 1.39 -0.12 3.43 1.01 -0.37 -1.00 120.40 123.38 1bfi s VAL 48 Ca 0.29 -2.12 0.02 0.00 0.00 0.00 0.00 61.98 60.18 1bfi s VAL 48 Cb -0.13 -2.00 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 1bfi s VAL 48 CO 0.19 -0.63 -0.21 -0.69 0.00 0.00 0.00 175.10 173.77 1bfi s VAL 49 N -3.19 2.31 0.17 2.92 1.01 -1.17 -0.70 120.40 121.75 1bfi s VAL 49 Ca 0.21 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1bfi s VAL 49 Cb 0.02 -1.92 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 1bfi s VAL 49 CO 0.04 0.55 -0.17 0.54 0.00 0.00 0.00 175.10 176.06 1bfi s VAL 50 N 0.51 1.73 0.49 2.92 0.11 -0.15 -2.45 120.40 123.55 1bfi s VAL 50 Ca -0.13 -1.97 0.17 0.00 -2.93 0.00 0.00 61.98 57.12 1bfi s VAL 50 Cb -0.17 -1.85 0.17 0.00 -1.53 0.00 0.00 36.38 33.00 1bfi s VAL 50 CO 0.05 -0.40 1.47 0.44 -3.33 0.00 0.00 175.10 173.32 1bfi h ASP 51 N 3.11 0.00 0.00 3.54 3.32 -1.93 -0.83 116.42 123.62 1bfi h ASP 51 Ca -0.41 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 1bfi h ASP 51 Cb 1.21 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.76 1bfi h ASP 51 CO 0.54 0.00 -0.28 1.23 -1.72 0.00 0.00 179.24 179.01 1bfi h GLY 52 N 0.00 0.00 0.00 2.75 0.00 -1.93 -3.51 103.07 100.38 1bfi h GLY 52 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bfi h GLY 52 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 174.70 1bfi n GLU 53 N -4.69 0.00 -3.49 4.80 0.28 -0.32 -5.14 120.64 112.09 1bfi n GLU 53 Ca -0.04 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.59 1bfi n GLU 53 Cb 0.16 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 32.96 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 -2.76 5.27 0.23 3.84 1.01 -1.26 -0.98 120.40 125.75 1bfi s VAL 54 Ca 0.00 0.65 0.11 0.00 0.00 0.00 0.00 61.98 62.74 1bfi s VAL 54 Cb 0.00 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1bfi s VAL 54 CO 0.00 0.38 -0.16 -0.54 0.00 0.00 0.00 175.10 174.78 1bfi s LYS 55 N 0.42 1.80 -0.64 2.72 3.01 0.12 -4.99 119.74 122.18 1bfi s LYS 55 Ca 0.19 -1.53 0.06 0.00 -1.01 0.00 0.00 55.97 53.68 1bfi s LYS 55 Cb -0.14 -1.94 0.24 0.00 -1.01 0.00 0.00 37.83 34.99 1bfi s LYS 55 CO 0.06 0.38 0.71 0.72 0.51 0.00 0.00 175.35 177.73 1bfi n HIS 56 N -0.22 3.45 -1.77 3.18 8.25 -1.26 -1.23 115.22 125.62 1bfi n HIS 56 Ca -0.09 -4.15 -0.39 0.00 -0.26 0.00 0.00 57.72 52.82 1bfi n HIS 56 Cb 0.57 -0.56 0.03 0.00 1.12 0.00 0.00 29.99 31.15 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 -1.22 5.12 -0.04 0.00 0.11 -1.26 -0.15 120.40 122.96 1bfi s VAL 58 Ca 0.64 -0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.62 1bfi s VAL 58 Cb -0.43 -3.29 -0.03 0.00 -1.53 0.00 0.00 36.38 31.10 1bfi s VAL 58 CO 0.55 0.47 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.98 1bfi s ILE 59 N -1.13 2.84 -0.13 7.04 -1.09 0.52 -4.78 121.20 124.46 1bfi s ILE 59 Ca 0.20 -0.84 -0.00 0.00 -2.23 0.00 0.00 60.65 57.78 1bfi s ILE 59 Cb -0.12 -2.10 -0.01 0.00 -1.58 0.00 0.00 42.46 38.65 1bfi s ILE 59 CO 0.10 0.57 -0.13 0.20 -1.23 0.00 0.00 174.94 174.45 1bfi s ASN 60 N -0.77 3.97 -0.26 3.58 0.02 -1.16 -2.34 114.94 117.99 1bfi s ASN 60 Ca 0.11 -0.34 -0.20 0.00 -1.02 0.00 0.00 52.86 51.41 1bfi s ASN 60 Cb -0.10 -1.61 -0.02 0.00 0.02 0.00 0.00 41.25 39.54 1bfi s ASN 60 CO 0.01 0.16 0.60 -0.75 0.02 0.00 0.00 177.10 177.13 1bfi s LYS 61 N 0.41 4.10 0.22 -0.60 2.20 -1.26 0.54 119.74 125.35 1bfi s LYS 61 Ca -0.10 0.48 -0.22 0.00 -0.36 0.00 0.00 55.97 55.77 1bfi s LYS 61 Cb -0.16 -3.65 0.04 0.00 -1.51 0.00 0.00 37.83 32.55 1bfi s LYS 61 CO 0.05 -0.39 0.65 0.99 -0.36 0.00 0.00 175.35 176.29 1bfi s THR 62 N 2.44 0.00 0.22 3.43 2.01 -1.26 -4.73 115.64 117.75 1bfi s THR 62 Ca 0.25 -0.57 -0.09 0.00 0.31 0.00 0.00 61.69 61.59 1bfi s THR 62 Cb -0.16 -1.55 0.18 0.00 0.01 0.00 0.00 72.50 70.98 1bfi s THR 62 CO 0.09 -0.01 1.87 0.00 -0.69 0.00 0.00 174.62 175.88 1bfi h ALA 63 N 2.02 1.04 -0.00 7.40 0.00 -2.00 -3.14 119.26 124.56 1bfi h ALA 63 Ca -0.26 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1bfi h ALA 63 Cb 1.28 -0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.65 1bfi h ALA 63 CO 0.30 0.49 -0.62 0.25 0.00 0.00 0.00 179.25 179.68 1bfi n THR 64 N -4.47 1.74 0.00 0.00 -2.24 -1.26 -4.90 114.28 103.15 1bfi n THR 64 Ca 0.08 -2.78 0.00 0.00 -2.27 0.00 0.00 64.05 59.08 1bfi n THR 64 Cb 0.05 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1bfi n THR 64 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bfi n GLY 65 N -0.77 0.18 4.68 3.38 0.00 -1.19 -4.74 105.19 106.72 1bfi n GLY 65 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.71 0.00 0.00 1.61 4.01 0.19 -3.18 117.16 118.08 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 -0.85 0.00 0.00 -0.31 0.00 0.00 39.34 38.18 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 -2.00 2.33 3.60 2.72 0.00 -0.10 -2.97 105.19 108.76 1bfi n GLY 67 Ca 0.00 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 1bfi n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bfi s PHE 68 N 0.00 3.19 0.00 1.61 0.08 -1.19 -4.71 117.98 116.96 1bfi s PHE 68 Ca 0.00 -0.03 0.00 0.00 0.12 0.00 0.00 56.93 57.02 1bfi s PHE 68 Cb 0.00 -2.05 0.00 0.00 -0.57 0.00 0.00 43.02 40.40 1bfi s PHE 68 CO 0.00 0.10 0.00 0.00 -0.10 0.00 0.00 175.22 175.22 1bfi n ALA 69 N 3.54 0.00 -0.02 5.36 0.00 -1.26 -4.82 120.51 123.31 1bfi n ALA 69 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.24 1bfi n ALA 69 Cb 0.52 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.18 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 0.58 0.10 0.00 4.81 -1.93 -3.24 114.58 114.90 1bfi h GLU 70 Ca 0.00 -0.18 -0.14 0.00 -0.13 0.00 0.00 59.36 58.91 1bfi h GLU 70 Cb 0.15 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.49 1bfi h GLU 70 CO 0.00 0.70 -0.63 -1.00 -0.73 0.00 0.00 179.01 177.34 1bfi h PRO 71 N 0.53 0.20 -2.26 0.92 0.14 -2.01 -3.47 132.00 126.06 1bfi h PRO 71 Ca 0.10 -0.35 -0.07 0.00 0.14 0.00 0.00 66.00 65.82 1bfi h PRO 71 Cb 0.53 0.13 -0.21 0.00 0.14 0.00 0.00 31.00 31.59 1bfi h PRO 71 CO 0.03 1.17 0.02 -0.47 0.14 0.00 0.00 178.00 178.89 1bfi s TYR 72 N -2.37 -0.64 -0.40 1.56 5.04 -1.22 -5.13 117.35 114.19 1bfi s TYR 72 Ca -0.16 1.46 -0.16 0.00 -2.44 0.00 0.00 57.07 55.77 1bfi s TYR 72 Cb 0.00 0.26 0.01 0.00 0.35 0.00 0.00 41.96 42.58 1bfi s TYR 72 CO 0.78 -0.38 0.38 -0.80 -1.34 0.00 0.00 175.55 174.19 1bfi s ASN 73 N -0.07 6.17 0.00 4.32 0.02 -1.26 -4.36 114.94 119.76 1bfi s ASN 73 Ca -0.03 -0.62 0.00 0.00 -1.02 0.00 0.00 52.86 51.19 1bfi s ASN 73 Cb -0.04 -2.20 0.00 0.00 0.02 0.00 0.00 41.25 39.03 1bfi s ASN 73 CO 0.03 -0.49 0.00 -0.11 0.02 0.00 0.00 177.10 176.55 1bfi n LEU 74 N 5.44 0.00 -3.45 0.60 -0.00 -1.26 -5.04 117.00 113.28 1bfi n LEU 74 Ca -0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.75 1bfi n LEU 74 Cb 0.48 0.00 0.08 0.00 -0.00 0.00 0.00 43.42 43.97 1bfi n LEU 74 CO 0.43 0.00 0.06 -1.22 -0.00 0.00 0.00 177.39 176.67 1bfi n TYR 75 N 0.00 -2.18 -0.09 1.96 4.01 -1.26 -4.83 117.16 114.77 1bfi n TYR 75 Ca 0.00 0.90 0.13 0.00 -0.16 0.00 0.00 57.90 58.77 1bfi n TYR 75 Cb 0.00 -4.79 0.51 0.00 -0.31 0.00 0.00 39.34 34.74 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 -1.77 0.36 -4.23 7.72 0.02 -1.96 -3.42 113.55 110.27 1bfi h SER 76 Ca -0.60 0.01 -0.47 0.00 -0.84 0.00 0.00 61.79 59.89 1bfi h SER 76 Cb 1.34 -0.07 -0.21 0.00 0.14 0.00 0.00 62.40 63.61 1bfi h SER 76 CO 0.50 0.21 -0.79 -0.55 -1.14 0.00 0.00 176.83 175.06 1bfi s SER 77 N -6.21 2.10 0.40 3.07 0.15 -1.26 -5.02 113.70 106.93 1bfi s SER 77 Ca -0.08 -0.70 0.10 0.00 0.70 0.00 0.00 55.95 55.98 1bfi s SER 77 Cb 0.20 -0.09 0.90 0.00 -1.71 0.00 0.00 66.02 65.32 1bfi s SER 77 CO 0.75 -0.04 1.98 -0.07 1.20 0.00 0.00 173.24 177.06 1bfi h LEU 78 N 3.99 0.49 -1.00 3.45 3.38 -2.01 -0.30 115.31 123.31 1bfi h LEU 78 Ca -0.42 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.59 1bfi h LEU 78 Cb 1.19 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 1bfi h LEU 78 CO 0.43 0.31 0.65 0.11 0.09 0.00 0.00 178.44 180.03 1bfi h LYS 79 N 0.55 1.22 -0.98 1.13 1.57 -1.95 -0.94 116.57 117.17 1bfi h LYS 79 Ca 0.27 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1bfi h LYS 79 Cb 0.35 -0.28 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 1bfi h LYS 79 CO -0.08 0.81 0.64 0.93 -0.57 0.00 0.00 179.45 181.17 1bfi h GLU 80 N 1.26 1.30 -0.32 3.15 5.08 -1.42 0.49 114.58 124.12 1bfi h GLU 80 Ca 0.40 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 1bfi h GLU 80 Cb 0.00 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 1bfi h GLU 80 CO -0.13 0.88 0.18 1.25 -1.00 0.00 0.00 179.01 180.19 1bfi h LEU 81 N 1.34 0.40 -0.30 1.33 6.46 -1.04 0.96 115.31 124.46 1bfi h LEU 81 Ca 0.36 -0.08 -0.09 0.00 -0.12 0.00 0.00 57.88 57.95 1bfi h LEU 81 Cb -0.13 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.69 1bfi h LEU 81 CO -0.07 0.36 -0.16 0.58 -0.62 0.00 0.00 178.44 178.53 1bfi h VAL 82 N 0.40 1.30 -0.31 1.05 2.07 -0.86 -1.86 116.25 118.05 1bfi h VAL 82 Ca 0.11 -1.26 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 1bfi h VAL 82 Cb 0.05 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1bfi h VAL 82 CO -0.02 0.40 0.02 0.25 0.02 0.00 0.00 177.57 178.24 1bfi h LEU 83 N 0.38 0.52 -0.71 2.57 5.85 0.26 -2.48 115.31 121.69 1bfi h LEU 83 Ca 0.06 -0.29 -0.07 0.00 0.84 0.00 0.00 57.88 58.43 1bfi h LEU 83 Cb 0.68 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1bfi h LEU 83 CO 0.05 0.68 0.19 -0.74 -0.34 0.00 0.00 178.44 178.27 1bfi h HIS 84 N 0.34 1.18 0.00 1.25 2.76 0.96 -2.79 115.15 118.85 1bfi h HIS 84 Ca 0.09 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1bfi h HIS 84 Cb 0.41 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.03 1bfi h HIS 84 CO 0.03 0.95 0.00 0.66 -1.30 0.00 0.00 177.93 178.27 1bfi n TYR 85 N -4.25 0.90 0.24 5.26 4.02 -0.70 -3.02 117.16 119.61 1bfi n TYR 85 Ca 0.05 0.30 0.10 0.00 -0.01 0.00 0.00 57.90 58.34 1bfi n TYR 85 Cb 0.25 -0.99 0.59 0.00 -0.02 0.00 0.00 39.34 39.18 1bfi n TYR 85 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 1bfi h GLN 86 N 0.00 0.00 0.10 -0.72 3.07 -1.15 -2.84 115.11 113.57 1bfi h GLN 86 Ca 0.00 0.00 -0.33 0.00 0.09 0.00 0.00 58.65 58.41 1bfi h GLN 86 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.12 1bfi h GLN 86 CO 0.00 0.19 -1.78 1.25 0.09 0.00 0.00 178.83 178.58 1bfi h HIS 87 N 0.00 0.38 -3.86 0.06 2.76 -1.67 -3.37 115.15 109.46 1bfi h HIS 87 Ca -0.00 -0.28 -0.47 0.00 -2.20 0.00 0.00 60.37 57.42 1bfi h HIS 87 Cb 0.49 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.41 1bfi h HIS 87 CO 0.00 1.48 0.20 0.99 -1.30 0.00 0.00 177.93 179.30 1bfi s THR 88 N -2.59 4.54 -0.19 6.26 2.01 -1.09 -4.96 115.64 119.62 1bfi s THR 88 Ca -0.14 1.22 -0.11 0.00 0.31 0.00 0.00 61.69 62.97 1bfi s THR 88 Cb 0.07 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.89 1bfi s THR 88 CO 0.81 -0.20 0.17 -0.44 -0.69 0.00 0.00 174.62 174.27 1bfi s SER 89 N -2.17 6.27 0.37 3.53 0.01 -1.26 -4.21 113.70 116.24 1bfi s SER 89 Ca 0.56 0.30 0.26 0.00 1.31 0.00 0.00 55.95 58.38 1bfi s SER 89 Cb -0.10 -2.11 1.33 0.00 0.21 0.00 0.00 66.02 65.35 1bfi s SER 89 CO 0.16 0.16 1.79 -0.07 0.41 0.00 0.00 173.24 175.69 1bfi h LEU 90 N 6.64 0.00 -0.09 2.44 3.38 -0.47 -3.30 115.31 123.90 1bfi h LEU 90 Ca -0.41 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.59 1bfi h LEU 90 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 1bfi h LEU 90 CO 0.76 0.00 0.05 0.55 0.09 0.00 0.00 178.44 179.89 1bfi n VAL 91 N -2.41 -0.03 -0.25 1.22 3.14 2.22 0.17 118.33 122.39 1bfi n VAL 91 Ca -0.01 0.16 -0.05 0.00 -2.96 0.00 0.00 64.34 61.47 1bfi n VAL 91 Cb 0.08 -0.26 0.05 0.00 -1.06 0.00 0.00 33.84 32.66 1bfi n VAL 91 CO 0.00 0.00 0.00 0.06 -6.46 0.00 0.00 176.83 170.43 1bfi h GLN 92 N 0.00 0.93 -0.58 1.45 3.07 -1.81 -1.12 115.11 117.05 1bfi h GLN 92 Ca 0.07 -0.08 0.01 0.00 0.09 0.00 0.00 58.65 58.74 1bfi h GLN 92 Cb 0.20 -0.20 -0.03 0.00 0.08 0.00 0.00 27.48 27.53 1bfi h GLN 92 CO -0.05 0.65 0.38 0.45 0.09 0.00 0.00 178.83 180.35 1bfi h HIS 93 N 0.94 0.72 -3.27 0.06 3.86 0.14 -3.38 115.15 114.22 1bfi h HIS 93 Ca 0.25 0.02 -0.51 0.00 -1.16 0.00 0.00 60.37 58.96 1bfi h HIS 93 Cb -0.05 -0.24 -0.38 0.00 1.06 0.00 0.00 27.41 27.80 1bfi h HIS 93 CO -0.02 0.44 -0.78 -0.80 0.86 0.00 0.00 177.93 177.63 1bfi s ASN 94 N -5.71 2.43 0.19 2.45 0.01 -0.90 -4.97 114.94 108.44 1bfi s ASN 94 Ca -0.13 -0.49 0.01 0.00 -0.71 0.00 0.00 52.86 51.54 1bfi s ASN 94 Cb 0.13 -0.73 0.03 0.00 0.41 0.00 0.00 41.25 41.09 1bfi s ASN 94 CO 0.75 -0.20 0.68 0.47 -1.51 0.00 0.00 177.10 177.29 1bfi n ASP 95 N 4.98 0.01 -0.83 -1.22 8.00 -0.47 0.29 116.55 127.32 1bfi n ASP 95 Ca -0.10 0.17 0.06 0.00 0.71 0.00 0.00 54.79 55.62 1bfi n ASP 95 Cb 0.49 -0.03 0.23 0.00 -0.02 0.00 0.00 41.12 41.78 1bfi n ASP 95 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1bfi n SER 96 N -1.45 3.36 -3.28 -2.24 2.88 -1.25 -4.73 113.62 106.91 1bfi n SER 96 Ca -0.00 -3.19 -0.38 0.00 -1.33 0.00 0.00 58.87 53.96 1bfi n SER 96 Cb 0.62 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 63.53 1bfi n SER 96 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1bfi n LEU 97 N -0.78 7.46 -3.69 2.46 4.77 0.85 -4.75 117.00 123.32 1bfi n LEU 97 Ca 0.23 -4.94 -0.42 0.00 -0.03 0.00 0.00 56.01 50.85 1bfi n LEU 97 Cb 0.89 -1.22 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 1bfi n LEU 97 CO 0.14 1.95 2.58 -3.20 -1.33 0.00 0.00 177.39 177.53 1bfi n ASN 98 N 0.52 3.68 -3.76 -1.43 4.05 -1.26 0.55 115.26 117.61 1bfi n ASN 98 Ca 0.53 -2.80 -0.12 0.00 0.45 0.00 0.00 54.58 52.65 1bfi n ASN 98 Cb 0.30 -1.53 -0.08 0.00 1.23 0.00 0.00 39.78 39.70 1bfi n ASN 98 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1bfi s VAL 99 N 3.58 0.08 0.23 3.44 1.01 -1.26 -4.94 120.40 122.54 1bfi s VAL 99 Ca 0.50 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.85 1bfi s VAL 99 Cb 0.14 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 1bfi s VAL 99 CO -0.04 -0.37 -0.04 0.42 0.00 0.00 0.00 175.10 175.06 1bfi s THR 100 N -2.42 1.26 -1.37 3.92 -4.23 -1.26 -0.58 115.64 110.97 1bfi s THR 100 Ca -0.06 -2.07 -0.15 0.00 -1.18 0.00 0.00 61.69 58.22 1bfi s THR 100 Cb -0.01 -2.28 0.02 0.00 1.34 0.00 0.00 72.50 71.57 1bfi s THR 100 CO -0.03 -0.40 2.16 0.18 -0.54 0.00 0.00 174.62 176.00 1bfi n LEU 101 N -0.43 6.40 -0.07 4.79 4.77 -1.12 -4.53 117.00 126.82 1bfi n LEU 101 Ca -0.06 -3.97 -0.11 0.00 -0.03 0.00 0.00 56.01 51.84 1bfi n LEU 101 Cb 0.63 -1.60 -0.15 0.00 -2.33 0.00 0.00 43.42 39.97 1bfi n LEU 101 CO 0.37 0.86 -0.92 0.00 -1.33 0.00 0.00 177.39 176.36 1bfi n ALA 102 N 6.46 1.46 -3.57 -1.18 0.00 -1.23 -4.07 120.51 118.37 1bfi n ALA 102 Ca 0.51 -1.07 -0.35 0.00 0.00 0.00 0.00 53.44 52.53 1bfi n ALA 102 Cb 0.40 -0.44 -0.14 0.00 0.00 0.00 0.00 19.45 19.26 1bfi n ALA 102 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1bfi s TYR 103 N -2.54 3.14 0.56 0.00 2.02 -0.90 -5.03 117.35 114.60 1bfi s TYR 103 Ca -0.11 -1.51 -0.21 0.00 -0.37 0.00 0.00 57.07 54.87 1bfi s TYR 103 Cb 0.07 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 1bfi s TYR 103 CO 0.81 -0.72 1.35 -2.14 -1.57 0.00 0.00 175.55 173.28 1bfi s PRO 104 N 1.35 3.06 0.20 -1.71 0.02 -1.26 -1.94 135.00 134.71 1bfi s PRO 104 Ca -0.01 2.22 -0.06 0.00 0.02 0.00 0.00 61.00 63.17 1bfi s PRO 104 Cb -0.18 -2.20 0.14 0.00 0.02 0.00 0.00 34.50 32.28 1bfi s PRO 104 CO -0.02 -1.25 1.61 -0.24 -0.33 0.00 0.00 177.00 176.77 1bfi h VAL 105 N 1.33 1.27 -0.84 3.83 3.04 -0.44 -2.94 116.25 121.50 1bfi h VAL 105 Ca -0.51 -1.36 -0.37 0.00 -1.01 0.00 0.00 66.70 63.45 1bfi h VAL 105 Cb 1.31 1.20 -0.22 0.00 -2.01 0.00 0.00 31.29 31.56 1bfi h VAL 105 CO 0.57 0.46 0.45 -1.22 -1.01 0.00 0.00 177.57 176.81 1bfi n TYR 106 N -4.11 2.67 -1.90 3.17 4.01 0.12 -4.99 117.16 116.13 1bfi n TYR 106 Ca 0.00 -1.57 -0.41 0.00 -0.16 0.00 0.00 57.90 55.76 1bfi n TYR 106 Cb 0.44 -0.81 -0.00 0.00 -0.31 0.00 0.00 39.34 38.66 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 -3.18 3.50 -0.05 -0.72 0.00 -1.11 -4.58 121.76 115.62 1bfi s ALA 107 Ca 0.55 1.46 -0.17 0.00 0.00 0.00 0.00 51.96 53.81 1bfi s ALA 107 Cb 0.46 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 1bfi s ALA 107 CO 0.11 -0.96 0.45 -0.65 0.00 0.00 0.00 175.76 174.71 1bfi s GLN 108 N -2.07 4.13 0.00 0.00 -0.21 -1.26 -4.95 119.66 115.30 1bfi s GLN 108 Ca 0.53 0.45 0.24 0.00 0.02 0.00 0.00 55.36 56.59 1bfi s GLN 108 Cb -0.44 -3.32 0.65 0.00 1.00 0.00 0.00 33.01 30.91 1bfi s GLN 108 CO 0.59 0.46 1.51 1.04 -2.12 0.00 0.00 175.29 176.77 1bfi n GLN 109 N 2.61 1.99 -4.99 2.91 6.02 -1.26 -4.87 117.38 119.79 1bfi n GLN 109 Ca -0.11 -1.47 -0.32 0.00 -0.01 0.00 0.00 57.00 55.09 1bfi n GLN 109 Cb 0.52 -1.45 -0.14 0.00 1.02 0.00 0.00 30.24 30.19 1bfi n GLN 109 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1bfi s ARG 110 N -1.82 2.48 0.00 -1.09 6.06 -1.26 -5.36 118.95 117.96 1bfi s ARG 110 Ca 0.34 -0.76 0.00 0.00 -2.50 0.00 0.00 55.73 52.82 1bfi s ARG 110 Cb 0.20 -2.31 0.00 0.00 0.06 0.00 0.00 34.95 32.90 1bfi s ARG 110 CO 0.30 0.57 0.00 0.54 -2.50 0.00 0.00 175.30 174.21