#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pfw s GLN 3 N 0.00 1.20 0.62 -1.09 -2.07 -1.26 -3.82 119.66 113.25 2pfw s GLN 3 Ca 0.00 -0.64 -0.04 0.00 -1.82 0.00 0.00 55.36 52.86 2pfw s GLN 3 Cb 0.00 0.43 0.04 0.00 -1.09 0.00 0.00 33.01 32.39 2pfw s GLN 3 CO 0.00 -0.55 0.90 -1.54 -1.32 0.00 0.00 175.29 172.78 2pfw s SER 4 N -2.88 5.13 0.95 12.60 1.04 -0.39 -4.97 113.70 125.18 2pfw s SER 4 Ca 0.11 0.33 -0.14 0.00 0.48 0.00 0.00 55.95 56.73 2pfw s SER 4 Cb -0.02 -1.14 -0.02 0.00 0.10 0.00 0.00 66.02 64.95 2pfw s SER 4 CO 0.01 -1.32 0.07 1.21 0.98 0.00 0.00 173.24 174.19 2pfw n GLU 5 N -2.64 -0.18 0.20 4.02 4.07 -1.26 -4.87 120.64 119.98 2pfw n GLU 5 Ca 0.07 -0.02 0.14 0.00 -0.06 0.00 0.00 57.16 57.29 2pfw n GLU 5 Cb 0.60 -1.61 0.45 0.00 -0.06 0.00 0.00 31.44 30.81 2pfw n GLU 5 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 2pfw h HIS 6 N -1.34 0.00 -4.16 4.31 3.86 -1.99 -3.44 115.15 112.39 2pfw h HIS 6 Ca -0.44 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.28 2pfw h HIS 6 Cb 1.29 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.47 2pfw h HIS 6 CO 0.34 0.00 -0.82 -0.06 0.86 0.00 0.00 177.93 178.25 2pfw s PHE 7 N -3.37 1.32 0.01 2.45 0.08 -1.26 -5.14 117.98 112.08 2pfw s PHE 7 Ca 0.05 -0.27 0.01 0.00 0.12 0.00 0.00 56.93 56.84 2pfw s PHE 7 Cb 0.08 -0.86 -0.01 0.00 -0.57 0.00 0.00 43.02 41.66 2pfw s PHE 7 CO 0.56 -0.04 -0.03 -1.12 -0.10 0.00 0.00 175.22 174.49 2pfw s SER 8 N -0.26 0.31 -0.16 1.36 0.01 -1.26 -5.12 113.70 108.58 2pfw s SER 8 Ca 0.04 -0.27 0.01 0.00 1.31 0.00 0.00 55.95 57.04 2pfw s SER 8 Cb -0.06 0.03 0.02 0.00 0.21 0.00 0.00 66.02 66.21 2pfw s SER 8 CO -0.00 -0.12 -0.18 -0.36 0.41 0.00 0.00 173.24 172.98 2pfw s PHE 9 N -0.72 2.56 0.43 2.43 0.08 -1.26 -5.02 117.98 116.48 2pfw s PHE 9 Ca -0.07 -1.47 0.17 0.00 0.12 0.00 0.00 56.93 55.69 2pfw s PHE 9 Cb -0.05 -1.80 1.08 0.00 -0.57 0.00 0.00 43.02 41.68 2pfw s PHE 9 CO -0.00 -0.74 1.89 0.78 -0.10 0.00 0.00 175.22 177.05 2pfw h GLY 10 N 7.88 0.77 1.13 4.36 0.00 -2.01 0.17 103.07 115.37 2pfw h GLY 10 Ca -0.42 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2pfw h GLY 10 CO 0.59 0.03 -0.26 1.18 0.00 0.00 0.00 176.54 178.08 2pfw n GLU 11 N -4.49 0.27 -0.05 4.80 -0.58 -1.26 -4.32 120.64 115.01 2pfw n GLU 11 Ca 0.17 -0.11 -0.06 0.00 -0.42 0.00 0.00 57.16 56.73 2pfw n GLU 11 Cb 0.63 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.95 2pfw n GLU 11 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 2pfw n GLN 12 N -1.27 0.60 -1.69 3.49 6.02 0.32 -4.99 117.38 119.87 2pfw n GLN 12 Ca 0.09 0.05 -0.44 0.00 -0.01 0.00 0.00 57.00 56.68 2pfw n GLN 12 Cb 0.32 -1.19 -0.04 0.00 1.02 0.00 0.00 30.24 30.36 2pfw n GLN 12 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2pfw n THR 13 N -2.71 0.06 -2.01 5.09 -1.04 0.34 -4.88 114.28 109.13 2pfw n THR 13 Ca -0.16 -0.01 -0.42 0.00 -2.04 0.00 0.00 64.05 61.42 2pfw n THR 13 Cb 0.69 -1.76 -0.03 0.00 -1.82 0.00 0.00 70.33 67.42 2pfw n THR 13 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2pfw s GLU 14 N 1.32 4.26 -0.27 -2.82 -6.30 -1.26 -4.96 118.70 108.66 2pfw s GLU 14 Ca 0.79 2.29 -0.10 0.00 -2.50 0.00 0.00 54.97 55.45 2pfw s GLU 14 Cb -0.60 -3.14 -0.04 0.00 0.00 0.00 0.00 34.13 30.34 2pfw s GLU 14 CO 0.37 -0.48 0.16 0.42 0.02 0.00 0.00 175.26 175.75 2pfw s ILE 15 N 0.49 5.08 -0.29 -3.70 1.01 -1.26 -4.61 121.20 117.91 2pfw s ILE 15 Ca 0.63 0.09 -0.16 0.00 0.00 0.00 0.00 60.65 61.22 2pfw s ILE 15 Cb -0.42 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 2pfw s ILE 15 CO 0.38 0.28 0.40 -0.70 0.00 0.00 0.00 174.94 175.29 2pfw s GLU 16 N 1.69 3.88 -0.33 2.79 2.12 0.14 -4.85 118.70 124.14 2pfw s GLU 16 Ca 0.07 -0.06 -0.29 0.00 0.36 0.00 0.00 54.97 55.05 2pfw s GLU 16 Cb -0.16 -3.71 -0.01 0.00 0.26 0.00 0.00 34.13 30.52 2pfw s GLU 16 CO 0.09 -0.38 1.64 0.34 -0.54 0.00 0.00 175.26 176.41 2pfw s ASP 17 N 1.67 6.14 -0.26 -1.70 2.15 -1.26 -0.51 116.67 122.89 2pfw s ASP 17 Ca 0.15 1.23 0.12 0.00 0.43 0.00 0.00 52.55 54.49 2pfw s ASP 17 Cb -0.16 -2.53 0.63 0.00 -0.30 0.00 0.00 42.92 40.56 2pfw s ASP 17 CO 0.11 -1.52 1.61 2.30 -0.17 0.00 0.00 175.17 177.49 2pfw n ILE 18 N 7.09 2.63 -0.81 4.11 -5.35 -0.36 -4.99 119.36 121.68 2pfw n ILE 18 Ca 0.20 -1.94 0.10 0.00 -0.27 0.00 0.00 62.75 60.84 2pfw n ILE 18 Cb 0.47 -0.31 -0.05 0.00 -1.74 0.00 0.00 39.64 38.00 2pfw n ILE 18 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pfw n GLY 19 N -0.45 -2.97 2.30 3.28 0.00 -1.23 -4.80 105.19 101.32 2pfw n GLY 19 Ca 0.32 -1.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.07 2pfw n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pfw n GLY 20 N -3.34 0.66 2.08 -0.02 0.00 -1.26 -2.89 105.19 100.42 2pfw n GLY 20 Ca -0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 2pfw n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pfw n GLY 21 N -1.75 0.54 3.72 -0.02 0.00 -1.26 -4.17 105.19 102.25 2pfw n GLY 21 Ca -0.04 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 2pfw n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pfw s LEU 22 N -0.68 3.70 0.01 0.99 1.43 -1.14 -0.76 118.68 122.23 2pfw s LEU 22 Ca 0.00 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.28 2pfw s LEU 22 Cb 0.00 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.24 2pfw s LEU 22 CO 0.00 0.34 -0.11 -0.54 0.23 0.00 0.00 176.35 176.27 2pfw s LYS 23 N -1.19 0.83 -0.02 1.70 1.02 -0.83 -1.23 119.74 120.03 2pfw s LYS 23 Ca 0.16 -0.51 0.05 0.00 0.02 0.00 0.00 55.97 55.69 2pfw s LYS 23 Cb -0.12 -0.80 -0.01 0.00 -0.52 0.00 0.00 37.83 36.38 2pfw s LYS 23 CO 0.06 0.21 -0.17 0.50 -0.92 0.00 0.00 175.35 175.03 2pfw s ARG 24 N -0.61 1.42 0.00 1.68 3.52 0.33 -1.01 118.95 124.28 2pfw s ARG 24 Ca 0.02 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 55.01 2pfw s ARG 24 Cb -0.06 -1.35 0.00 0.00 -1.56 0.00 0.00 34.95 31.98 2pfw s ARG 24 CO 0.00 0.35 0.00 0.94 -0.81 0.00 0.00 175.30 175.79 2pfw n GLN 25 N 2.71 1.53 0.00 5.12 7.27 -0.52 0.28 117.38 133.77 2pfw n GLN 25 Ca -0.15 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.92 2pfw n GLN 25 Cb 0.54 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.19 2pfw n GLN 25 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2pfw n LEU 27 N 0.00 0.00 0.00 1.69 4.77 0.14 -1.18 117.00 122.42 2pfw n LEU 27 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2pfw n LEU 27 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2pfw n LEU 27 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2pfw n GLY 28 N -0.32 3.61 3.45 -0.72 0.00 -1.15 -4.67 105.19 105.39 2pfw n GLY 28 Ca 0.00 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 2pfw n GLY 28 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pfw s PHE 29 N -1.43 -0.56 0.00 1.61 -0.71 -1.26 -1.59 117.98 114.04 2pfw s PHE 29 Ca 0.00 0.56 0.00 0.00 -1.04 0.00 0.00 56.93 56.45 2pfw s PHE 29 Cb 0.00 0.50 0.00 0.00 -1.21 0.00 0.00 43.02 42.31 2pfw s PHE 29 CO 0.00 -0.76 0.00 0.27 -1.34 0.00 0.00 175.22 173.39 2pfw n ASN 30 N 0.04 0.53 0.21 1.98 6.94 -0.63 -1.26 115.26 123.07 2pfw n ASN 30 Ca -0.18 -0.40 0.16 0.00 -0.02 0.00 0.00 54.58 54.14 2pfw n ASN 30 Cb 0.62 0.00 0.81 0.00 -2.36 0.00 0.00 39.78 38.86 2pfw n ASN 30 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 2pfw h HIS 31 N 0.40 0.00 -0.00 -2.53 2.07 -1.99 -3.08 115.15 110.02 2pfw h HIS 31 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2pfw h HIS 31 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2pfw h HIS 31 CO 0.00 0.00 -0.04 -0.85 -3.07 0.00 0.00 177.93 173.97 2pfw n GLU 32 N -3.92 2.86 -4.09 5.12 0.28 -1.26 -0.24 120.64 119.38 2pfw n GLU 32 Ca 0.01 -0.31 -0.12 0.00 -0.16 0.00 0.00 57.16 56.58 2pfw n GLU 32 Cb 0.29 -0.81 -0.06 0.00 1.43 0.00 0.00 31.44 32.29 2pfw n GLU 32 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2pfw s LEU 33 N -1.14 0.80 -0.29 -1.84 2.96 -1.16 -3.92 118.68 114.09 2pfw s LEU 33 Ca 0.02 -1.25 -0.16 0.00 -0.22 0.00 0.00 54.13 52.51 2pfw s LEU 33 Cb 0.02 1.27 0.17 0.00 0.50 0.00 0.00 46.19 48.14 2pfw s LEU 33 CO 0.05 -1.11 1.07 0.00 -1.32 0.00 0.00 176.35 175.04 2pfw s ALA 35 N -3.74 -2.56 0.15 5.97 0.00 -0.62 -1.61 121.76 119.36 2pfw s ALA 35 Ca 0.30 2.08 0.05 0.00 0.00 0.00 0.00 51.96 54.40 2pfw s ALA 35 Cb 0.02 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 2pfw s ALA 35 CO 0.14 -0.55 -0.12 0.14 0.00 0.00 0.00 175.76 175.38 2pfw s VAL 36 N 1.62 1.30 -0.17 0.00 -7.23 -0.36 -0.68 120.40 114.87 2pfw s VAL 36 Ca -0.06 -2.01 -0.02 0.00 -1.81 0.00 0.00 61.98 58.08 2pfw s VAL 36 Cb -0.04 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 2pfw s VAL 36 CO -0.15 -0.65 -0.09 -0.75 -0.31 0.00 0.00 175.10 173.16 2pfw s LYS 37 N -3.48 3.41 -0.18 4.82 2.20 -0.33 -0.99 119.74 125.19 2pfw s LYS 37 Ca 0.16 -0.64 -0.02 0.00 -0.36 0.00 0.00 55.97 55.11 2pfw s LYS 37 Cb 0.00 -2.82 -0.00 0.00 -1.51 0.00 0.00 37.83 33.50 2pfw s LYS 37 CO 0.02 0.04 -0.10 0.42 -0.36 0.00 0.00 175.35 175.38 2pfw s ILE 38 N 0.82 3.03 -0.26 5.43 -1.09 0.80 -1.44 121.20 128.49 2pfw s ILE 38 Ca -0.03 -0.63 -0.16 0.00 -2.23 0.00 0.00 60.65 57.61 2pfw s ILE 38 Cb -0.15 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.37 2pfw s ILE 38 CO 0.01 0.48 0.40 0.26 -1.23 0.00 0.00 174.94 174.86 2pfw s TRP 39 N 1.09 3.27 -0.26 3.97 0.51 -0.18 -1.20 118.94 126.15 2pfw s TRP 39 Ca 0.00 0.48 -0.14 0.00 -2.12 0.00 0.00 56.10 54.32 2pfw s TRP 39 Cb -0.15 -2.59 -0.04 0.00 -0.81 0.00 0.00 33.47 29.89 2pfw s TRP 39 CO -0.02 -0.20 0.35 -0.06 -0.51 0.00 0.00 176.95 176.50 2pfw s PHE 40 N 1.99 3.27 0.87 -1.98 0.40 0.85 -1.96 117.98 121.42 2pfw s PHE 40 Ca 0.17 0.41 -0.12 0.00 -0.60 0.00 0.00 56.93 56.79 2pfw s PHE 40 Cb -0.16 -2.53 0.09 0.00 0.51 0.00 0.00 43.02 40.94 2pfw s PHE 40 CO 0.09 -0.16 0.98 -0.25 0.70 0.00 0.00 175.22 176.58 2pfw n ASP 41 N 5.09 0.00 -4.68 1.36 8.00 0.06 -1.20 116.55 125.18 2pfw n ASP 41 Ca -0.09 0.47 -0.51 0.00 0.71 0.00 0.00 54.79 55.37 2pfw n ASP 41 Cb 0.51 -1.42 -0.06 0.00 -0.02 0.00 0.00 41.12 40.14 2pfw n ASP 41 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2pfw n LYS 42 N -3.17 1.75 -0.93 -1.24 4.01 -1.26 -0.94 118.16 116.38 2pfw n LYS 42 Ca 0.11 0.64 0.00 0.00 -0.51 0.00 0.00 58.31 58.55 2pfw n LYS 42 Cb 0.52 -2.40 0.00 0.00 -0.51 0.00 0.00 35.03 32.63 2pfw n LYS 42 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2pfw n GLY 43 N 4.02 0.72 3.76 0.72 0.00 0.34 -4.83 105.19 109.92 2pfw n GLY 43 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 2pfw n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pfw s ALA 44 N -3.06 2.23 0.00 4.61 0.00 -0.12 -4.67 121.76 120.75 2pfw s ALA 44 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.28 2pfw s ALA 44 Cb 0.00 -3.29 -0.01 0.00 0.00 0.00 0.00 23.12 19.83 2pfw s ALA 44 CO 0.00 -1.79 -0.06 -2.00 0.00 0.00 0.00 175.76 171.91 2pfw s GLU 45 N -4.83 0.47 -0.55 0.00 2.12 -1.26 -1.70 118.70 112.95 2pfw s GLU 45 Ca 0.62 -0.29 -0.17 0.00 0.36 0.00 0.00 54.97 55.49 2pfw s GLU 45 Cb -0.18 -0.43 0.12 0.00 0.26 0.00 0.00 34.13 33.91 2pfw s GLU 45 CO 0.55 0.11 0.55 0.20 -0.54 0.00 0.00 175.26 176.14 2pfw s GLY 46 N -0.35 2.00 0.10 -1.50 0.00 0.50 -4.98 107.32 103.09 2pfw s GLY 46 Ca 0.00 -2.45 -0.28 0.00 0.00 0.00 0.00 44.72 41.99 2pfw s GLY 46 CO -0.00 1.30 0.64 1.58 0.00 0.00 0.00 173.10 176.62 2pfw n TYR 47 N 5.54 -0.01 -2.44 1.90 4.11 -1.26 -1.11 117.16 123.89 2pfw n TYR 47 Ca -0.13 0.86 -0.40 0.00 -0.00 0.00 0.00 57.90 58.24 2pfw n TYR 47 Cb 0.41 -1.73 -0.04 0.00 -0.00 0.00 0.00 39.34 37.98 2pfw n TYR 47 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2pfw s VAL 48 N -0.50 3.41 -0.23 -3.48 1.01 -1.26 -4.47 120.40 114.88 2pfw s VAL 48 Ca 0.65 1.39 -0.37 0.00 0.00 0.00 0.00 61.98 63.64 2pfw s VAL 48 Cb -0.92 -3.87 0.15 0.00 0.00 0.00 0.00 36.38 31.74 2pfw s VAL 48 CO 0.48 0.30 1.35 -1.38 0.00 0.00 0.00 175.10 175.85 2pfw s HIS 49 N -1.21 -0.04 0.09 5.22 -0.00 -0.89 -4.93 115.29 113.54 2pfw s HIS 49 Ca 0.46 0.02 0.02 0.00 -0.00 0.00 0.00 55.06 55.56 2pfw s HIS 49 Cb -0.32 0.51 -0.04 0.00 -0.00 0.00 0.00 32.58 32.73 2pfw s HIS 49 CO 0.41 -0.07 -0.07 0.00 -0.00 0.00 0.00 174.74 175.01 2pfw s ALA 50 N -2.14 0.94 0.15 -1.38 0.00 -1.26 -2.27 121.76 115.81 2pfw s ALA 50 Ca 0.12 -1.28 -0.24 0.00 0.00 0.00 0.00 51.96 50.56 2pfw s ALA 50 Cb 0.00 0.14 0.07 0.00 0.00 0.00 0.00 23.12 23.33 2pfw s ALA 50 CO -0.03 -0.20 0.69 -3.38 0.00 0.00 0.00 175.76 172.83 2pfw s HIS 51 N -3.34 -0.43 0.22 0.00 -3.43 -1.26 -4.94 115.29 102.10 2pfw s HIS 51 Ca 0.09 0.19 -0.05 0.00 -0.80 0.00 0.00 55.06 54.50 2pfw s HIS 51 Cb 0.03 0.58 0.19 0.00 -1.43 0.00 0.00 32.58 31.96 2pfw s HIS 51 CO -0.04 -0.86 1.65 0.07 -2.00 0.00 0.00 174.74 173.56 2pfw h ARG 52 N 2.00 0.82 -6.39 -0.38 0.11 -1.94 0.80 114.38 109.40 2pfw h ARG 52 Ca -0.29 -0.30 -0.64 0.00 0.10 0.00 0.00 59.98 58.85 2pfw h ARG 52 Cb 1.28 -0.05 0.07 0.00 1.11 0.00 0.00 29.97 32.38 2pfw h ARG 52 CO 0.34 0.92 0.45 0.72 0.10 0.00 0.00 179.97 182.50 2pfw n HIS 53 N -4.14 1.64 -1.83 4.08 8.25 -1.26 -4.19 115.22 117.78 2pfw n HIS 53 Ca 0.01 0.57 -0.35 0.00 -0.26 0.00 0.00 57.72 57.69 2pfw n HIS 53 Cb 0.40 -2.36 0.05 0.00 1.12 0.00 0.00 29.99 29.20 2pfw n HIS 53 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2pfw s SER 54 N 0.29 4.95 -0.02 0.41 0.01 -0.82 -4.31 113.70 114.20 2pfw s SER 54 Ca 0.76 2.28 0.00 0.00 1.31 0.00 0.00 55.95 60.31 2pfw s SER 54 Cb -0.82 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 62.85 2pfw s SER 54 CO 0.48 -1.75 0.01 -1.58 0.41 0.00 0.00 173.24 170.82 2pfw s GLN 55 N -3.64 0.15 -0.04 12.44 0.74 -0.89 -2.36 119.66 126.06 2pfw s GLN 55 Ca 0.74 0.12 0.04 0.00 0.05 0.00 0.00 55.36 56.31 2pfw s GLN 55 Cb -0.27 -0.38 -0.00 0.00 1.10 0.00 0.00 33.01 33.46 2pfw s GLN 55 CO 0.37 -0.15 -0.16 0.08 -0.55 0.00 0.00 175.29 174.89 2pfw s VAL 56 N 1.03 1.35 0.04 1.34 1.01 0.55 -1.33 120.40 124.40 2pfw s VAL 56 Ca -0.10 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.27 2pfw s VAL 56 Cb -0.13 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 2pfw s VAL 56 CO -0.02 0.39 -0.15 -0.44 0.00 0.00 0.00 175.10 174.88 2pfw s SER 57 N 0.11 1.74 -0.04 3.32 0.01 0.88 -0.26 113.70 119.47 2pfw s SER 57 Ca -0.05 -0.49 0.03 0.00 1.31 0.00 0.00 55.95 56.75 2pfw s SER 57 Cb -0.12 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.01 2pfw s SER 57 CO 0.02 0.03 -0.12 -0.47 0.41 0.00 0.00 173.24 173.11 2pfw s TYR 58 N -0.91 1.28 -0.42 2.43 5.04 -0.31 -1.37 117.35 123.09 2pfw s TYR 58 Ca 0.02 -0.36 -0.18 0.00 -2.44 0.00 0.00 57.07 54.10 2pfw s TYR 58 Cb -0.08 -0.90 0.02 0.00 0.35 0.00 0.00 41.96 41.35 2pfw s TYR 58 CO 0.01 -0.15 0.49 0.08 -1.34 0.00 0.00 175.55 174.65 2pfw s VAL 59 N 0.24 5.02 -0.05 3.14 1.01 0.14 -1.43 120.40 128.46 2pfw s VAL 59 Ca -0.05 -0.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.54 2pfw s VAL 59 Cb -0.11 -4.07 -0.16 0.00 0.00 0.00 0.00 36.38 32.04 2pfw s VAL 59 CO 0.02 -0.44 0.93 0.58 0.00 0.00 0.00 175.10 176.18 2pfw h VAL 60 N 5.75 0.88 -2.39 2.92 2.07 -1.66 0.26 116.25 124.07 2pfw h VAL 60 Ca -0.26 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.13 2pfw h VAL 60 Cb 1.11 1.45 -0.16 0.00 -1.52 0.00 0.00 31.29 32.17 2pfw h VAL 60 CO 0.82 0.22 0.22 -1.83 0.02 0.00 0.00 177.57 177.01 2pfw s GLU 61 N -3.57 1.13 0.00 1.57 -1.05 -1.15 -4.45 118.70 111.18 2pfw s GLU 61 Ca -0.13 -0.05 0.00 0.00 -0.15 0.00 0.00 54.97 54.64 2pfw s GLU 61 Cb 0.01 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.22 2pfw s GLU 61 CO 0.50 -0.42 0.00 0.41 0.95 0.00 0.00 175.26 176.70 2pfw n GLY 62 N 0.36 1.24 3.35 -3.83 0.00 -1.26 -0.02 105.19 105.03 2pfw n GLY 62 Ca -0.18 -2.28 -0.35 0.00 0.00 0.00 0.00 46.02 43.22 2pfw n GLY 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pfw s GLU 63 N -1.24 3.43 -0.13 1.61 0.41 -1.26 -3.76 118.70 117.76 2pfw s GLU 63 Ca 0.00 -0.61 0.00 0.00 -0.41 0.00 0.00 54.97 53.95 2pfw s GLU 63 Cb 0.00 -2.96 -0.01 0.00 -1.78 0.00 0.00 34.13 29.37 2pfw s GLU 63 CO 0.00 -0.09 -0.14 -0.06 -0.49 0.00 0.00 175.26 174.47 2pfw s PHE 64 N 1.21 2.78 -0.57 1.61 0.40 0.49 -3.85 117.98 120.06 2pfw s PHE 64 Ca 0.03 -0.69 -0.24 0.00 -0.60 0.00 0.00 56.93 55.42 2pfw s PHE 64 Cb -0.14 -1.83 0.04 0.00 0.51 0.00 0.00 43.02 41.60 2pfw s PHE 64 CO -0.01 -0.24 0.97 -1.01 0.70 0.00 0.00 175.22 175.63 2pfw s HIS 65 N 0.35 2.76 -0.15 0.36 3.76 -0.77 0.19 115.29 121.79 2pfw s HIS 65 Ca -0.12 -0.03 -0.02 0.00 -0.15 0.00 0.00 55.06 54.74 2pfw s HIS 65 Cb -0.16 -4.13 -0.02 0.00 1.11 0.00 0.00 32.58 29.38 2pfw s HIS 65 CO 0.06 -1.41 -0.09 0.08 -0.85 0.00 0.00 174.74 172.54 2pfw s VAL 66 N 4.06 3.38 -0.26 -0.90 1.01 0.87 -1.90 120.40 126.65 2pfw s VAL 66 Ca 0.31 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 2pfw s VAL 66 Cb -0.12 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.75 2pfw s VAL 66 CO 0.19 0.50 0.22 0.21 0.00 0.00 0.00 175.10 176.22 2pfw s ASN 67 N 0.52 6.10 -0.14 3.32 3.84 -0.18 -1.18 114.94 127.21 2pfw s ASN 67 Ca -0.06 0.09 -0.01 0.00 0.21 0.00 0.00 52.86 53.10 2pfw s ASN 67 Cb -0.15 -2.14 0.03 0.00 -0.55 0.00 0.00 41.25 38.45 2pfw s ASN 67 CO 0.03 -0.04 -0.06 -0.69 -2.79 0.00 0.00 177.10 173.55 2pfw s VAL 68 N 1.61 1.04 -1.51 -5.21 1.01 -0.66 -0.75 120.40 115.93 2pfw s VAL 68 Ca 0.09 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.56 2pfw s VAL 68 Cb -0.15 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.09 2pfw s VAL 68 CO 0.09 0.24 0.69 -0.67 0.00 0.00 0.00 175.10 175.44 2pfw n ASP 69 N 4.92 -5.94 0.00 3.32 2.03 0.27 -1.87 116.55 119.28 2pfw n ASP 69 Ca -0.12 -0.34 0.00 0.00 0.52 0.00 0.00 54.79 54.85 2pfw n ASP 69 Cb 0.49 -4.78 0.00 0.00 -0.72 0.00 0.00 41.12 36.10 2pfw n ASP 69 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2pfw n GLY 70 N -1.57 2.75 3.75 0.27 0.00 -1.26 -5.01 105.19 104.13 2pfw n GLY 70 Ca -0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2pfw n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pfw s VAL 71 N -2.58 4.68 -0.10 1.61 1.01 -0.78 -5.03 120.40 119.21 2pfw s VAL 71 Ca 0.00 1.62 0.04 0.00 0.00 0.00 0.00 61.98 63.64 2pfw s VAL 71 Cb 0.00 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2pfw s VAL 71 CO 0.00 0.40 -0.22 -0.63 0.00 0.00 0.00 175.10 174.64 2pfw s ILE 72 N -0.26 1.94 0.03 2.22 1.01 -1.26 -1.65 121.20 123.24 2pfw s ILE 72 Ca 0.38 -0.95 0.02 0.00 0.00 0.00 0.00 60.65 60.09 2pfw s ILE 72 Cb -0.21 -1.69 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 2pfw s ILE 72 CO 0.23 0.53 -0.06 -0.54 0.00 0.00 0.00 174.94 175.10 2pfw s LYS 73 N 0.39 0.46 -0.25 2.79 1.02 -0.33 -4.93 119.74 118.90 2pfw s LYS 73 Ca -0.18 -0.67 -0.22 0.00 0.02 0.00 0.00 55.97 54.92 2pfw s LYS 73 Cb -0.18 -0.19 -0.01 0.00 -0.52 0.00 0.00 37.83 36.93 2pfw s LYS 73 CO 0.08 0.03 0.71 0.08 -0.92 0.00 0.00 175.35 175.32 2pfw s VAL 74 N -1.30 4.93 -0.04 3.17 1.01 -1.26 -0.09 120.40 126.83 2pfw s VAL 74 Ca -0.11 1.30 0.05 0.00 0.00 0.00 0.00 61.98 63.23 2pfw s VAL 74 Cb -0.09 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 2pfw s VAL 74 CO 0.00 -0.01 -0.19 -0.76 0.00 0.00 0.00 175.10 174.14 2pfw s LEU 75 N 2.60 2.45 0.00 3.92 1.43 0.49 -4.92 118.68 124.65 2pfw s LEU 75 Ca 0.30 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 2pfw s LEU 75 Cb -0.15 -1.47 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 2pfw s LEU 75 CO 0.08 0.32 0.13 1.07 0.23 0.00 0.00 176.35 178.18 2pfw n THR 76 N 2.46 0.00 -1.64 5.49 5.66 -1.26 0.19 114.28 125.18 2pfw n THR 76 Ca -0.17 -2.24 -0.52 0.00 -3.05 0.00 0.00 64.05 58.07 2pfw n THR 76 Cb 0.52 0.77 -0.06 0.00 -1.55 0.00 0.00 70.33 70.01 2pfw n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pfw n ALA 77 N -1.20 -0.29 -0.02 1.79 0.00 -1.25 -1.80 120.51 117.74 2pfw n ALA 77 Ca -0.15 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2pfw n ALA 77 Cb 0.58 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2pfw n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pfw n GLY 78 N 3.26 0.30 3.99 0.00 0.00 0.91 -5.01 105.19 108.64 2pfw n GLY 78 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 2pfw n GLY 78 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pfw s ASP 79 N -2.47 5.88 0.14 1.61 1.01 -0.75 -4.86 116.67 117.23 2pfw s ASP 79 Ca 0.00 -0.13 -0.08 0.00 0.71 0.00 0.00 52.55 53.06 2pfw s ASP 79 Cb 0.00 -1.20 -0.01 0.00 1.01 0.00 0.00 42.92 42.72 2pfw s ASP 79 CO 0.00 -0.55 0.23 -0.94 0.21 0.00 0.00 175.17 174.12 2pfw s SER 80 N -4.21 0.10 0.09 0.27 1.04 -1.26 -0.69 113.70 109.03 2pfw s SER 80 Ca 0.47 -0.87 0.01 0.00 0.48 0.00 0.00 55.95 56.04 2pfw s SER 80 Cb -0.10 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 2pfw s SER 80 CO 0.33 -0.84 -0.06 0.72 0.98 0.00 0.00 173.24 174.37 2pfw s PHE 81 N -3.96 0.81 -0.11 5.02 -0.71 -0.47 -4.98 117.98 113.59 2pfw s PHE 81 Ca 0.15 -0.89 0.01 0.00 -1.04 0.00 0.00 56.93 55.17 2pfw s PHE 81 Cb 0.04 -0.48 0.02 0.00 -1.21 0.00 0.00 43.02 41.39 2pfw s PHE 81 CO -0.02 -0.17 -0.12 0.12 -1.34 0.00 0.00 175.22 173.68 2pfw s PHE 82 N -3.41 1.76 -0.39 3.49 5.36 -1.26 -0.08 117.98 123.45 2pfw s PHE 82 Ca 0.09 -0.84 -0.08 0.00 -0.96 0.00 0.00 56.93 55.13 2pfw s PHE 82 Cb 0.04 -1.33 0.06 0.00 -0.34 0.00 0.00 43.02 41.45 2pfw s PHE 82 CO -0.05 -0.48 0.20 0.08 -1.46 0.00 0.00 175.22 173.52 2pfw s VAL 83 N 1.21 4.10 0.80 3.12 1.01 -0.44 -5.02 120.40 125.19 2pfw s VAL 83 Ca -0.03 -1.27 -0.14 0.00 0.00 0.00 0.00 61.98 60.53 2pfw s VAL 83 Cb -0.14 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.83 2pfw s VAL 83 CO -0.04 -0.38 0.85 -2.65 0.00 0.00 0.00 175.10 172.88 2pfw n PRO 84 N 4.88 0.16 -1.64 2.72 -0.02 -1.26 -2.09 135.00 137.75 2pfw n PRO 84 Ca -0.11 0.11 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 2pfw n PRO 84 Cb 0.44 -2.14 -0.01 0.00 -0.02 0.00 0.00 33.50 31.77 2pfw n PRO 84 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2pfw n PRO 85 N -2.15 1.67 -0.94 0.52 -0.02 -1.26 -2.24 135.00 130.57 2pfw n PRO 85 Ca 0.11 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2pfw n PRO 85 Cb 0.51 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2pfw n PRO 85 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2pfw n HIS 86 N 0.21 0.00 -3.12 6.00 8.25 0.28 -4.94 115.22 121.89 2pfw n HIS 86 Ca 0.08 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.18 2pfw n HIS 86 Cb 0.34 -1.37 -0.06 0.00 1.12 0.00 0.00 29.99 30.02 2pfw n HIS 86 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2pfw s VAL 87 N -1.38 4.60 0.26 1.59 1.01 -0.95 -4.74 120.40 120.78 2pfw s VAL 87 Ca 0.00 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 2pfw s VAL 87 Cb 0.00 -3.83 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 2pfw s VAL 87 CO 0.00 0.19 1.28 -1.81 0.00 0.00 0.00 175.10 174.76 2pfw s ASP 88 N -1.69 6.90 -0.04 3.32 1.01 -1.26 -4.51 116.67 120.39 2pfw s ASP 88 Ca 0.43 2.49 -0.30 0.00 0.71 0.00 0.00 52.55 55.88 2pfw s ASP 88 Cb -0.16 -2.63 0.08 0.00 1.01 0.00 0.00 42.92 41.22 2pfw s ASP 88 CO 0.21 -0.48 0.70 -1.38 0.21 0.00 0.00 175.17 174.43 2pfw s HIS 89 N -0.48 -0.62 0.18 4.23 -3.43 -0.96 0.97 115.29 115.18 2pfw s HIS 89 Ca 0.52 1.00 -0.24 0.00 -0.80 0.00 0.00 55.06 55.55 2pfw s HIS 89 Cb -0.37 0.43 0.06 0.00 -1.43 0.00 0.00 32.58 31.27 2pfw s HIS 89 CO 0.44 -0.61 0.95 0.20 -2.00 0.00 0.00 174.74 173.72 2pfw s GLY 90 N -1.34 -0.14 -0.16 -1.38 0.00 0.07 -2.09 107.32 102.28 2pfw s GLY 90 Ca -0.09 -0.02 -0.11 0.00 0.00 0.00 0.00 44.72 44.50 2pfw s GLY 90 CO 0.07 0.32 0.39 0.00 0.00 0.00 0.00 173.10 173.88 2pfw s ALA 91 N -3.12 -0.98 -0.06 3.20 0.00 -0.27 -1.01 121.76 119.51 2pfw s ALA 91 Ca 0.14 1.29 0.02 0.00 0.00 0.00 0.00 51.96 53.41 2pfw s ALA 91 Cb -0.02 -0.77 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 2pfw s ALA 91 CO 0.04 -0.22 -0.11 0.08 0.00 0.00 0.00 175.76 175.55 2pfw s VAL 92 N 0.80 3.36 -0.54 0.00 1.01 -0.80 0.19 120.40 124.42 2pfw s VAL 92 Ca -0.05 -0.61 0.04 0.00 0.00 0.00 0.00 61.98 61.36 2pfw s VAL 92 Cb -0.06 -2.35 0.14 0.00 0.00 0.00 0.00 36.38 34.11 2pfw s VAL 92 CO -0.06 0.59 0.30 0.00 0.00 0.00 0.00 175.10 175.93 2pfw h PRO 94 N 6.32 0.86 -0.00 0.00 0.11 -1.86 0.98 132.00 138.41 2pfw h PRO 94 Ca -0.03 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2pfw h PRO 94 Cb 0.87 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.79 2pfw h PRO 94 CO 0.66 0.57 -0.58 0.25 -0.21 0.00 0.00 178.00 178.68 2pfw n THR 95 N -4.47 0.00 0.00 -1.15 -2.24 -1.26 -2.78 114.28 102.38 2pfw n THR 95 Ca 0.11 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2pfw n THR 95 Cb 0.18 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 2pfw n THR 95 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pfw n GLY 96 N 1.46 -2.17 0.00 3.38 0.00 -1.00 -4.61 105.19 102.26 2pfw n GLY 96 Ca 0.07 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2pfw n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pfw n GLY 97 N -1.43 -0.55 3.04 -0.02 0.00 -0.34 -4.28 105.19 101.61 2pfw n GLY 97 Ca 0.00 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 2pfw n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pfw s ILE 98 N -2.84 -0.03 0.15 -0.61 1.01 0.98 -0.10 121.20 119.76 2pfw s ILE 98 Ca 0.00 0.10 0.11 0.00 0.00 0.00 0.00 60.65 60.86 2pfw s ILE 98 Cb 0.00 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 2pfw s ILE 98 CO 0.00 0.04 -0.25 -0.76 0.00 0.00 0.00 174.94 173.97 2pfw s LEU 99 N 0.84 2.35 -0.21 2.97 1.43 -0.34 -1.73 118.68 124.00 2pfw s LEU 99 Ca -0.06 -0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 52.22 2pfw s LEU 99 Cb -0.07 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 2pfw s LEU 99 CO -0.05 0.15 -0.02 -0.63 0.23 0.00 0.00 176.35 176.02 2pfw s ILE 100 N -1.26 3.67 -0.20 -0.59 1.01 -0.52 -0.14 121.20 123.17 2pfw s ILE 100 Ca 0.15 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 2pfw s ILE 100 Cb -0.09 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.69 2pfw s ILE 100 CO 0.07 0.43 0.02 -1.81 0.00 0.00 0.00 174.94 173.65 2pfw s ASP 101 N 1.18 5.03 -0.06 3.58 1.01 -0.16 -1.16 116.67 126.09 2pfw s ASP 101 Ca 0.03 -0.14 0.06 0.00 0.71 0.00 0.00 52.55 53.20 2pfw s ASP 101 Cb -0.14 -1.86 -0.01 0.00 1.01 0.00 0.00 42.92 41.91 2pfw s ASP 101 CO 0.00 0.08 -0.23 0.42 0.21 0.00 0.00 175.17 175.64 2pfw s THR 102 N 0.94 2.22 -0.05 -1.27 -4.23 0.64 -1.22 115.64 112.67 2pfw s THR 102 Ca 0.02 -1.01 0.04 0.00 -1.18 0.00 0.00 61.69 59.56 2pfw s THR 102 Cb -0.14 -1.81 -0.00 0.00 1.34 0.00 0.00 72.50 71.88 2pfw s THR 102 CO 0.02 0.57 -0.18 -0.36 -0.54 0.00 0.00 174.62 174.13 2pfw s PHE 103 N -0.23 1.78 -0.18 3.99 0.08 -1.26 -0.33 117.98 121.83 2pfw s PHE 103 Ca -0.01 -0.52 -0.03 0.00 0.12 0.00 0.00 56.93 56.49 2pfw s PHE 103 Cb -0.13 -1.20 -0.02 0.00 -0.57 0.00 0.00 43.02 41.10 2pfw s PHE 103 CO 0.03 -0.17 -0.05 0.45 -0.10 0.00 0.00 175.22 175.37 2pfw s SER 104 N 0.03 4.46 1.03 1.36 0.15 -0.99 -4.25 113.70 115.49 2pfw s SER 104 Ca -0.04 -0.28 -0.25 0.00 0.70 0.00 0.00 55.95 56.08 2pfw s SER 104 Cb -0.12 -1.74 -0.11 0.00 -1.71 0.00 0.00 66.02 62.34 2pfw s SER 104 CO 0.02 0.08 -1.09 -0.81 1.20 0.00 0.00 173.24 172.64 2pfw n PRO 105 N 4.13 -0.46 -1.33 5.44 -0.04 -1.25 -1.95 135.00 139.54 2pfw n PRO 105 Ca -0.18 -0.13 -0.33 0.00 -0.04 0.00 0.00 63.50 62.82 2pfw n PRO 105 Cb 0.52 -1.20 0.10 0.00 -0.04 0.00 0.00 33.50 32.88 2pfw n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pfw s ALA 106 N -2.07 2.05 -0.79 0.55 0.00 0.66 -4.54 121.76 117.62 2pfw s ALA 106 Ca 0.42 0.77 -0.25 0.00 0.00 0.00 0.00 51.96 52.91 2pfw s ALA 106 Cb 0.03 -3.44 0.05 0.00 0.00 0.00 0.00 23.12 19.76 2pfw s ALA 106 CO 0.67 -1.96 1.23 1.03 0.00 0.00 0.00 175.76 176.72 2pfw s ARG 107 N -4.10 3.28 0.56 0.00 1.81 -1.26 -4.86 118.95 114.38 2pfw s ARG 107 Ca 0.72 -0.66 0.31 0.00 -1.72 0.00 0.00 55.73 54.38 2pfw s ARG 107 Cb -0.27 -4.48 1.66 0.00 -0.45 0.00 0.00 34.95 31.42 2pfw s ARG 107 CO 0.48 -2.06 2.15 1.49 -0.68 0.00 0.00 175.30 176.67 2pfw h GLU 108 N 9.79 0.00 0.00 3.54 4.81 -1.97 0.51 114.58 131.27 2pfw h GLU 108 Ca -0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2pfw h GLU 108 Cb 1.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2pfw h GLU 108 CO 1.28 0.07 0.00 -0.40 -0.73 0.00 0.00 179.01 179.22 2pfw n ASP 109 N -3.55 0.54 -0.99 1.04 5.75 -1.26 -2.89 116.55 115.19 2pfw n ASP 109 Ca -0.02 0.64 0.11 0.00 -0.01 0.00 0.00 54.79 55.52 2pfw n ASP 109 Cb 0.19 -0.75 0.14 0.00 -1.03 0.00 0.00 41.12 39.66 2pfw n ASP 109 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2pfw n PHE 110 N -2.11 0.20 0.56 2.11 3.72 0.17 -5.31 117.46 116.80 2pfw n PHE 110 Ca 0.02 -0.11 0.07 0.00 -0.05 0.00 0.00 57.45 57.38 2pfw n PHE 110 Cb 0.20 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.80 2pfw n PHE 110 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99