#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 1.71 0.40 -1.09 -2.07 -1.26 -3.19 119.66 114.15 2pfw s GLN 3 Ca 0.00 -1.29 0.03 0.00 -1.82 0.00 0.00 55.36 52.28 2pfw s GLN 3 Cb 0.00 0.51 -0.01 0.00 -1.09 0.00 0.00 33.01 32.42 2pfw s GLN 3 CO 0.00 -0.73 0.58 -1.54 -1.32 0.00 0.00 175.29 172.28 2pfw s SER 4 N -3.03 5.90 0.79 12.60 1.04 -0.22 -4.98 113.70 125.80 2pfw s SER 4 Ca 0.21 0.09 -0.17 0.00 0.48 0.00 0.00 55.95 56.56 2pfw s SER 4 Cb -0.02 -1.42 -0.11 0.00 0.10 0.00 0.00 66.02 64.57 2pfw s SER 4 CO 0.10 -0.58 -0.22 1.21 0.98 0.00 0.00 173.24 174.73 2pfw n GLU 5 N -1.89 0.03 0.22 4.02 4.07 -1.26 -4.88 120.64 120.95 2pfw n GLU 5 Ca 0.00 0.02 0.14 0.00 -0.06 0.00 0.00 57.16 57.27 2pfw n GLU 5 Cb 0.58 -1.25 0.44 0.00 -0.06 0.00 0.00 31.44 31.15 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 -0.64 0.00 -4.29 4.31 3.86 -1.99 -3.44 115.15 112.96 2pfw h HIS 6 Ca -0.43 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.24 2pfw h HIS 6 Cb 1.35 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.53 2pfw h HIS 6 CO 0.26 0.00 -0.83 -0.06 0.86 0.00 0.00 177.93 178.16 2pfw s PHE 7 N -3.39 1.51 -0.03 2.45 0.08 -1.26 -5.14 117.98 112.20 2pfw s PHE 7 Ca 0.05 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 56.82 2pfw s PHE 7 Cb 0.08 -0.97 0.01 0.00 -0.57 0.00 0.00 43.02 41.57 2pfw s PHE 7 CO 0.58 -0.03 -0.05 -1.12 -0.10 0.00 0.00 175.22 174.50 2pfw s SER 8 N -0.38 0.79 -0.27 1.36 0.01 -1.26 -5.12 113.70 108.82 2pfw s SER 8 Ca 0.06 -0.11 -0.09 0.00 1.31 0.00 0.00 55.95 57.12 2pfw s SER 8 Cb -0.07 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.86 2pfw s SER 8 CO -0.01 -0.00 0.13 -0.36 0.41 0.00 0.00 173.24 173.41 2pfw s PHE 9 N 0.46 3.15 0.55 2.43 0.08 -1.26 -4.99 117.98 118.40 2pfw s PHE 9 Ca -0.06 -0.16 0.31 0.00 0.12 0.00 0.00 56.93 57.14 2pfw s PHE 9 Cb -0.09 -2.31 1.47 0.00 -0.57 0.00 0.00 43.02 41.52 2pfw s PHE 9 CO -0.00 -0.27 1.87 0.78 -0.10 0.00 0.00 175.22 177.51 2pfw h GLY 10 N 8.31 0.00 1.32 4.36 0.00 -2.00 0.00 103.07 115.06 2pfw h GLY 10 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 2pfw h GLY 10 CO 0.57 0.00 -0.23 1.18 0.00 0.00 0.00 176.54 178.06 2pfw n GLU 11 N -4.10 0.17 -0.06 4.80 -0.58 -1.26 -4.17 120.64 115.44 2pfw n GLU 11 Ca 0.16 -0.06 -0.08 0.00 -0.42 0.00 0.00 57.16 56.76 2pfw n GLU 11 Cb 0.92 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 30.24 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 -1.36 0.29 -1.72 3.49 6.02 -0.05 -5.01 117.38 119.05 2pfw n GLN 12 Ca 0.08 0.06 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 2pfw n GLN 12 Cb 0.32 -1.22 -0.03 0.00 1.02 0.00 0.00 30.24 30.33 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 -2.83 0.40 -1.77 5.09 -1.04 -1.01 -4.86 114.28 108.27 2pfw n THR 13 Ca -0.20 -0.10 -0.41 0.00 -2.04 0.00 0.00 64.05 61.30 2pfw n THR 13 Cb 0.71 -1.88 -0.00 0.00 -1.82 0.00 0.00 70.33 67.34 2pfw n THR 13 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2pfw n GLU 14 N 3.17 2.68 -3.39 -2.82 4.07 -1.26 -4.97 120.64 118.12 2pfw n GLU 14 Ca 0.13 0.94 -0.39 0.00 -0.06 0.00 0.00 57.16 57.78 2pfw n GLU 14 Cb 0.34 -2.69 -0.09 0.00 -0.06 0.00 0.00 31.44 28.95 2pfw n GLU 14 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 2pfw s ILE 15 N -0.83 5.17 -0.25 6.31 1.01 -1.26 -4.64 121.20 126.72 2pfw s ILE 15 Ca 0.56 0.50 -0.09 0.00 0.00 0.00 0.00 60.65 61.62 2pfw s ILE 15 Cb -0.48 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2pfw s ILE 15 CO 0.60 0.12 0.12 -0.70 0.00 0.00 0.00 174.94 175.08 2pfw s GLU 16 N 2.07 3.87 -0.37 2.79 2.12 -0.08 -4.88 118.70 124.21 2pfw s GLU 16 Ca 0.15 -0.37 -0.29 0.00 0.36 0.00 0.00 54.97 54.82 2pfw s GLU 16 Cb -0.16 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.77 2pfw s GLU 16 CO 0.10 -0.08 1.50 0.34 -0.54 0.00 0.00 175.26 176.58 2pfw s ASP 17 N 1.41 6.28 -0.18 -1.70 2.15 -1.26 -0.95 116.67 122.41 2pfw s ASP 17 Ca 0.06 1.01 0.16 0.00 0.43 0.00 0.00 52.55 54.21 2pfw s ASP 17 Cb -0.15 -2.54 0.60 0.00 -0.30 0.00 0.00 42.92 40.53 2pfw s ASP 17 CO 0.06 -1.45 1.50 2.30 -0.17 0.00 0.00 175.17 177.41 2pfw n ILE 18 N 7.04 2.35 -0.87 4.11 -5.35 -1.05 -5.01 119.36 120.57 2pfw n ILE 18 Ca 0.18 -1.73 0.11 0.00 -0.27 0.00 0.00 62.75 61.04 2pfw n ILE 18 Cb 0.47 -0.23 -0.04 0.00 -1.74 0.00 0.00 39.64 38.11 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 -0.18 -2.26 2.18 3.28 0.00 -1.24 -4.86 105.19 102.10 2pfw n GLY 19 Ca 0.23 -1.27 -0.03 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.50 0.65 1.99 -0.02 0.00 -1.26 -2.60 105.19 100.45 2pfw n GLY 20 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.26 0.47 3.63 -0.02 0.00 -1.26 -4.11 105.19 101.64 2pfw n GLY 21 Ca -0.03 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 3.35 -0.02 0.99 1.43 -1.07 -1.23 118.68 122.13 2pfw s LEU 22 Ca 0.00 0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.17 2pfw s LEU 22 Cb 0.00 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 2pfw s LEU 22 CO 0.00 0.36 -0.15 -0.54 0.23 0.00 0.00 176.35 176.25 2pfw s LYS 23 N -0.95 1.30 -0.03 1.70 1.02 -0.84 -2.53 119.74 119.41 2pfw s LYS 23 Ca 0.14 -0.52 0.04 0.00 0.02 0.00 0.00 55.97 55.65 2pfw s LYS 23 Cb -0.11 -1.22 -0.00 0.00 -0.52 0.00 0.00 37.83 35.98 2pfw s LYS 23 CO 0.03 0.27 -0.15 0.50 -0.92 0.00 0.00 175.35 175.08 2pfw s ARG 24 N -0.18 1.51 0.00 1.68 3.52 -0.12 -0.50 118.95 124.85 2pfw s ARG 24 Ca 0.02 -0.54 0.00 0.00 -0.13 0.00 0.00 55.73 55.08 2pfw s ARG 24 Cb -0.07 -1.36 0.00 0.00 -1.56 0.00 0.00 34.95 31.96 2pfw s ARG 24 CO 0.00 0.25 0.00 0.94 -0.81 0.00 0.00 175.30 175.68 2pfw n GLN 25 N 3.05 1.85 0.00 5.12 7.27 0.28 -0.90 117.38 134.04 2pfw n GLN 25 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.90 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 0.70 0.82 117.00 124.98 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 -0.44 2.90 3.41 -0.72 0.00 -1.09 -4.68 105.19 104.57 2pfw n GLY 28 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.69 -0.46 0.14 1.61 -0.71 -1.26 -1.19 117.98 114.41 2pfw s PHE 29 Ca 0.00 0.56 0.03 0.00 -1.04 0.00 0.00 56.93 56.47 2pfw s PHE 29 Cb 0.00 0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 42.16 2pfw s PHE 29 CO 0.00 -0.65 0.10 0.27 -1.34 0.00 0.00 175.22 173.61 2pfw n ASN 30 N 0.44 -0.09 -0.46 1.98 0.23 -0.09 -1.06 115.26 116.22 2pfw n ASN 30 Ca -0.18 -1.87 0.42 0.00 -0.53 0.00 0.00 54.58 52.42 2pfw n ASN 30 Cb 0.60 0.63 0.77 0.00 -2.08 0.00 0.00 39.78 39.70 2pfw n ASN 30 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 2pfw h HIS 31 N 1.40 0.00 0.00 -2.53 2.07 -1.97 -2.62 115.15 111.49 2pfw h HIS 31 Ca -0.10 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.42 2pfw h HIS 31 Cb 0.47 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.45 2pfw h HIS 31 CO 0.00 0.00 0.00 -0.85 -3.07 0.00 0.00 177.93 174.01 2pfw n GLU 32 N -4.03 -0.13 -3.96 5.12 0.28 -1.26 -1.62 120.64 115.04 2pfw n GLU 32 Ca 0.33 -0.43 -0.09 0.00 -0.16 0.00 0.00 57.16 56.80 2pfw n GLU 32 Cb 1.55 -0.93 -0.06 0.00 1.43 0.00 0.00 31.44 33.44 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 -0.21 0.55 -0.29 -1.84 2.96 -0.99 -4.18 118.68 114.68 2pfw s LEU 33 Ca 0.00 -0.86 -0.16 0.00 -0.22 0.00 0.00 54.13 52.89 2pfw s LEU 33 Cb 0.00 1.55 0.17 0.00 0.50 0.00 0.00 46.19 48.41 2pfw s LEU 33 CO 0.00 -1.02 1.08 0.00 -1.32 0.00 0.00 176.35 175.09 2pfw s ALA 35 N -3.99 -2.46 0.26 5.97 0.00 -0.34 -0.91 121.76 120.31 2pfw s ALA 35 Ca 0.19 2.11 0.06 0.00 0.00 0.00 0.00 51.96 54.33 2pfw s ALA 35 Cb 0.01 -1.84 -0.06 0.00 0.00 0.00 0.00 23.12 21.24 2pfw s ALA 35 CO 0.04 -0.38 -0.06 0.14 0.00 0.00 0.00 175.76 175.50 2pfw s VAL 36 N 1.30 1.58 -0.20 0.00 -7.23 -0.03 -0.22 120.40 115.60 2pfw s VAL 36 Ca -0.08 -2.12 -0.03 0.00 -1.81 0.00 0.00 61.98 57.93 2pfw s VAL 36 Cb -0.03 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.52 2pfw s VAL 36 CO -0.13 -0.34 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.51 2pfw s LYS 37 N -3.73 3.41 -0.20 4.82 2.20 0.24 -1.84 119.74 124.64 2pfw s LYS 37 Ca 0.28 -0.62 -0.01 0.00 -0.36 0.00 0.00 55.97 55.26 2pfw s LYS 37 Cb 0.03 -2.94 0.01 0.00 -1.51 0.00 0.00 37.83 33.42 2pfw s LYS 37 CO 0.11 -0.09 -0.13 0.42 -0.36 0.00 0.00 175.35 175.30 2pfw s ILE 38 N 1.19 2.65 -0.23 5.43 -1.09 -0.65 0.98 121.20 129.49 2pfw s ILE 38 Ca 0.02 -0.74 -0.16 0.00 -2.23 0.00 0.00 60.65 57.54 2pfw s ILE 38 Cb -0.14 -2.16 -0.04 0.00 -1.58 0.00 0.00 42.46 38.54 2pfw s ILE 38 CO -0.01 0.48 0.44 0.26 -1.23 0.00 0.00 174.94 174.88 2pfw s TRP 39 N 1.37 3.32 -0.26 3.97 0.51 0.34 -1.55 118.94 126.65 2pfw s TRP 39 Ca 0.05 0.60 -0.15 0.00 -2.12 0.00 0.00 56.10 54.48 2pfw s TRP 39 Cb -0.14 -2.60 -0.04 0.00 -0.81 0.00 0.00 33.47 29.89 2pfw s TRP 39 CO -0.09 -0.13 0.39 -0.06 -0.51 0.00 0.00 176.95 176.56 2pfw s PHE 40 N 1.74 3.27 0.92 -1.98 0.40 -0.22 -1.98 117.98 120.13 2pfw s PHE 40 Ca 0.19 0.48 -0.11 0.00 -0.60 0.00 0.00 56.93 56.89 2pfw s PHE 40 Cb -0.15 -2.58 0.13 0.00 0.51 0.00 0.00 43.02 40.92 2pfw s PHE 40 CO 0.09 -0.19 1.00 -0.25 0.70 0.00 0.00 175.22 176.57 2pfw n ASP 41 N 5.19 -0.14 -4.68 1.36 8.00 -0.36 -2.05 116.55 123.86 2pfw n ASP 41 Ca -0.08 0.40 -0.45 0.00 0.71 0.00 0.00 54.79 55.38 2pfw n ASP 41 Cb 0.51 -1.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.15 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 -3.73 2.28 -1.06 -1.24 5.02 -1.26 -1.24 118.16 116.92 2pfw n LYS 42 Ca 0.11 0.82 -0.02 0.00 -2.02 0.00 0.00 58.31 57.20 2pfw n LYS 42 Cb 0.52 -2.58 -0.01 0.00 -0.02 0.00 0.00 35.03 32.95 2pfw n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pfw n GLY 43 N 3.12 0.43 3.81 0.72 0.00 0.50 -4.86 105.19 108.90 2pfw n GLY 43 Ca 0.15 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.64 2.41 0.06 4.61 0.00 -0.37 -4.70 121.76 122.13 2pfw s ALA 44 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 2pfw s ALA 44 Cb 0.00 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.99 2pfw s ALA 44 CO 0.00 -1.53 0.28 -2.00 0.00 0.00 0.00 175.76 172.51 2pfw s GLU 45 N -5.09 0.83 -0.57 0.00 2.12 -1.26 -2.05 118.70 112.69 2pfw s GLU 45 Ca 0.60 -0.63 -0.17 0.00 0.36 0.00 0.00 54.97 55.13 2pfw s GLU 45 Cb -0.15 0.36 0.13 0.00 0.26 0.00 0.00 34.13 34.73 2pfw s GLU 45 CO 0.55 -0.27 0.58 0.20 -0.54 0.00 0.00 175.26 175.77 2pfw s GLY 46 N -2.31 2.01 0.35 -1.50 0.00 -1.13 -4.94 107.32 99.80 2pfw s GLY 46 Ca -0.02 -2.48 -0.23 0.00 0.00 0.00 0.00 44.72 41.99 2pfw s GLY 46 CO -0.06 1.33 0.30 -1.72 0.00 0.00 0.00 173.10 172.95 2pfw n TYR 47 N 5.55 -1.32 -1.74 1.90 4.01 -1.26 -4.07 117.16 120.24 2pfw n TYR 47 Ca -0.11 0.71 -0.42 0.00 -0.16 0.00 0.00 57.90 57.92 2pfw n TYR 47 Cb 0.41 -1.87 -0.01 0.00 -0.31 0.00 0.00 39.34 37.55 2pfw n TYR 47 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2pfw n VAL 48 N -0.69 1.42 -3.62 -0.72 0.31 -1.26 -4.92 118.33 108.85 2pfw n VAL 48 Ca 0.13 -0.36 -0.14 0.00 -0.01 0.00 0.00 64.34 63.96 2pfw n VAL 48 Cb 0.36 -1.85 -0.06 0.00 -0.91 0.00 0.00 33.84 31.38 2pfw n VAL 48 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2pfw s HIS 49 N -0.48 -0.39 0.06 3.52 2.46 -1.04 -5.01 115.29 114.42 2pfw s HIS 49 Ca 0.60 0.52 -0.16 0.00 0.47 0.00 0.00 55.06 56.49 2pfw s HIS 49 Cb -0.52 0.28 0.03 0.00 -0.13 0.00 0.00 32.58 32.24 2pfw s HIS 49 CO 0.55 -0.57 0.38 0.00 -2.47 0.00 0.00 174.74 172.63 2pfw s ALA 50 N -1.95 -0.89 0.12 1.58 0.00 -1.26 -2.27 121.76 117.08 2pfw s ALA 50 Ca -0.08 0.12 -0.25 0.00 0.00 0.00 0.00 51.96 51.75 2pfw s ALA 50 Cb -0.01 0.43 0.07 0.00 0.00 0.00 0.00 23.12 23.61 2pfw s ALA 50 CO 0.02 -0.49 0.78 -3.38 0.00 0.00 0.00 175.76 172.69 2pfw s HIS 51 N -2.87 -0.35 0.18 0.00 -3.43 -1.26 -5.02 115.29 102.55 2pfw s HIS 51 Ca -0.03 0.12 -0.07 0.00 -0.80 0.00 0.00 55.06 54.28 2pfw s HIS 51 Cb 0.00 0.59 0.09 0.00 -1.43 0.00 0.00 32.58 31.82 2pfw s HIS 51 CO -0.05 -0.79 1.57 0.07 -2.00 0.00 0.00 174.74 173.54 2pfw h ARG 52 N 2.00 0.86 -6.52 -0.38 0.11 -1.95 0.70 114.38 109.21 2pfw h ARG 52 Ca -0.26 -0.38 -0.60 0.00 0.10 0.00 0.00 59.98 58.83 2pfw h ARG 52 Cb 1.26 -0.02 0.09 0.00 1.11 0.00 0.00 29.97 32.41 2pfw h ARG 52 CO 0.31 1.03 0.41 0.72 0.10 0.00 0.00 179.97 182.54 2pfw n HIS 53 N -4.09 1.77 -1.90 4.08 8.25 -1.26 -4.23 115.22 117.83 2pfw n HIS 53 Ca -0.00 0.57 -0.34 0.00 -0.26 0.00 0.00 57.72 57.68 2pfw n HIS 53 Cb 0.47 -2.36 0.04 0.00 1.12 0.00 0.00 29.99 29.26 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 -0.03 5.19 -0.08 0.41 0.01 -0.14 -4.40 113.70 114.66 2pfw s SER 54 Ca 0.66 2.15 -0.04 0.00 1.31 0.00 0.00 55.95 60.03 2pfw s SER 54 Cb -0.70 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.00 2pfw s SER 54 CO 0.54 -1.58 0.19 -1.58 0.41 0.00 0.00 173.24 171.22 2pfw s GLN 55 N -3.73 0.14 -0.04 12.44 0.74 -1.07 -1.61 119.66 126.53 2pfw s GLN 55 Ca 0.71 0.44 0.06 0.00 0.05 0.00 0.00 55.36 56.62 2pfw s GLN 55 Cb -0.24 -0.16 -0.01 0.00 1.10 0.00 0.00 33.01 33.70 2pfw s GLN 55 CO 0.36 -0.17 -0.23 0.08 -0.55 0.00 0.00 175.29 174.79 2pfw s VAL 56 N 1.23 1.83 -0.00 1.34 1.01 0.30 -1.33 120.40 124.78 2pfw s VAL 56 Ca -0.09 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 60.97 2pfw s VAL 56 Cb -0.11 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 2pfw s VAL 56 CO -0.07 0.51 -0.13 -0.44 0.00 0.00 0.00 175.10 174.97 2pfw s SER 57 N -0.24 1.57 -0.05 3.32 0.01 0.25 -0.92 113.70 117.64 2pfw s SER 57 Ca 0.00 -0.28 0.05 0.00 1.31 0.00 0.00 55.95 57.04 2pfw s SER 57 Cb -0.12 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.95 2pfw s SER 57 CO 0.02 0.14 -0.22 -0.47 0.41 0.00 0.00 173.24 173.12 2pfw s TYR 58 N -0.41 2.14 -0.40 2.43 5.04 -0.44 -1.36 117.35 124.34 2pfw s TYR 58 Ca 0.04 -0.64 -0.23 0.00 -2.44 0.00 0.00 57.07 53.81 2pfw s TYR 58 Cb -0.06 -1.42 0.02 0.00 0.35 0.00 0.00 41.96 40.85 2pfw s TYR 58 CO -0.00 -0.20 0.77 0.08 -1.34 0.00 0.00 175.55 174.86 2pfw s VAL 59 N -0.06 4.70 -0.08 3.14 1.01 0.37 -0.97 120.40 128.53 2pfw s VAL 59 Ca -0.04 0.65 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 2pfw s VAL 59 Cb -0.13 -4.25 -0.14 0.00 0.00 0.00 0.00 36.38 31.86 2pfw s VAL 59 CO 0.03 -0.56 0.65 0.58 0.00 0.00 0.00 175.10 175.80 2pfw h VAL 60 N 5.85 0.79 -2.75 2.92 2.07 -1.07 -0.61 116.25 123.45 2pfw h VAL 60 Ca -0.25 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 65.92 2pfw h VAL 60 Cb 1.09 1.39 -0.15 0.00 -1.52 0.00 0.00 31.29 32.10 2pfw h VAL 60 CO 0.93 0.23 0.09 -1.83 0.02 0.00 0.00 177.57 177.01 2pfw s GLU 61 N -2.78 1.09 0.00 1.57 -1.05 -0.97 -4.54 118.70 112.03 2pfw s GLU 61 Ca -0.11 -0.24 0.00 0.00 -0.15 0.00 0.00 54.97 54.47 2pfw s GLU 61 Cb -0.00 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 2pfw s GLU 61 CO 0.40 -0.41 0.00 0.41 0.95 0.00 0.00 175.26 176.61 2pfw n GLY 62 N 0.27 1.48 3.50 -3.83 0.00 -1.26 0.15 105.19 105.49 2pfw n GLY 62 Ca -0.18 -2.15 -0.36 0.00 0.00 0.00 0.00 46.02 43.33 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 -1.58 3.74 -0.19 1.61 0.41 -1.26 -3.75 118.70 117.69 2pfw s GLU 63 Ca 0.00 -0.44 -0.01 0.00 -0.41 0.00 0.00 54.97 54.10 2pfw s GLU 63 Cb 0.00 -3.28 0.00 0.00 -1.78 0.00 0.00 34.13 29.08 2pfw s GLU 63 CO 0.00 -0.04 -0.13 -0.06 -0.49 0.00 0.00 175.26 174.54 2pfw s PHE 64 N 1.22 2.85 -0.56 1.61 0.40 0.34 -3.94 117.98 119.91 2pfw s PHE 64 Ca 0.05 -1.24 -0.25 0.00 -0.60 0.00 0.00 56.93 54.89 2pfw s PHE 64 Cb -0.14 -1.99 0.04 0.00 0.51 0.00 0.00 43.02 41.43 2pfw s PHE 64 CO 0.03 -0.64 1.00 -1.01 0.70 0.00 0.00 175.22 175.31 2pfw s HIS 65 N 1.27 2.74 -0.12 0.36 3.76 -0.04 0.18 115.29 123.45 2pfw s HIS 65 Ca 0.03 0.07 0.01 0.00 -0.15 0.00 0.00 55.06 55.02 2pfw s HIS 65 Cb -0.14 -4.18 -0.01 0.00 1.11 0.00 0.00 32.58 29.36 2pfw s HIS 65 CO -0.07 -1.42 -0.14 0.08 -0.85 0.00 0.00 174.74 172.34 2pfw s VAL 66 N 4.19 2.95 -0.26 -0.90 1.01 -0.17 -1.44 120.40 125.78 2pfw s VAL 66 Ca 0.33 -0.71 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 2pfw s VAL 66 Cb -0.11 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2pfw s VAL 66 CO 0.20 0.53 0.10 0.21 0.00 0.00 0.00 175.10 176.14 2pfw s ASN 67 N 0.26 5.31 -0.20 3.32 3.84 0.22 -1.92 114.94 125.77 2pfw s ASN 67 Ca -0.10 -0.21 0.01 0.00 0.21 0.00 0.00 52.86 52.78 2pfw s ASN 67 Cb -0.16 -1.96 0.04 0.00 -0.55 0.00 0.00 41.25 38.62 2pfw s ASN 67 CO 0.06 -0.05 -0.14 -0.69 -2.79 0.00 0.00 177.10 173.49 2pfw s VAL 68 N 1.64 1.86 -1.63 -5.21 1.01 -0.46 0.10 120.40 117.71 2pfw s VAL 68 Ca 0.06 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 2pfw s VAL 68 Cb -0.15 -1.85 0.01 0.00 0.00 0.00 0.00 36.38 34.38 2pfw s VAL 68 CO 0.05 0.26 0.31 -0.67 0.00 0.00 0.00 175.10 175.06 2pfw n ASP 69 N 4.62 -5.86 0.00 3.32 2.03 0.20 -1.02 116.55 119.84 2pfw n ASP 69 Ca -0.17 -0.15 0.00 0.00 0.52 0.00 0.00 54.79 54.99 2pfw n ASP 69 Cb 0.47 -4.81 0.00 0.00 -0.72 0.00 0.00 41.12 36.06 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 -1.26 2.64 3.74 0.27 0.00 -1.26 -5.02 105.19 104.30 2pfw n GLY 70 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.13 3.89 -0.07 1.61 1.01 -0.19 -5.04 120.40 119.48 2pfw s VAL 71 Ca 0.00 1.70 0.02 0.00 0.00 0.00 0.00 61.98 63.70 2pfw s VAL 71 Cb 0.00 -4.09 0.01 0.00 0.00 0.00 0.00 36.38 32.31 2pfw s VAL 71 CO 0.00 0.33 -0.13 -0.63 0.00 0.00 0.00 175.10 174.67 2pfw s ILE 72 N -0.51 1.18 0.02 2.22 -1.09 -1.26 -1.36 121.20 120.41 2pfw s ILE 72 Ca 0.47 -0.50 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 2pfw s ILE 72 Cb -0.29 -1.08 -0.02 0.00 -1.58 0.00 0.00 42.46 39.49 2pfw s ILE 72 CO 0.35 0.37 -0.03 -0.54 -1.23 0.00 0.00 174.94 173.85 2pfw s LYS 73 N 0.69 0.35 -0.16 2.79 -0.14 -0.81 -5.00 119.74 117.46 2pfw s LYS 73 Ca -0.14 -0.67 -0.19 0.00 -1.36 0.00 0.00 55.97 53.61 2pfw s LYS 73 Cb -0.16 0.09 -0.03 0.00 -1.68 0.00 0.00 37.83 36.05 2pfw s LYS 73 CO 0.04 -0.05 0.55 0.08 -0.76 0.00 0.00 175.35 175.21 2pfw s VAL 74 N -1.65 5.10 -0.01 3.17 1.01 -1.26 -1.00 120.40 125.77 2pfw s VAL 74 Ca -0.14 1.06 0.06 0.00 0.00 0.00 0.00 61.98 62.96 2pfw s VAL 74 Cb -0.09 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2pfw s VAL 74 CO -0.02 0.21 -0.17 -0.76 0.00 0.00 0.00 175.10 174.37 2pfw s LEU 75 N 1.32 2.60 0.00 3.92 1.43 0.47 -4.92 118.68 123.51 2pfw s LEU 75 Ca 0.27 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2pfw s LEU 75 Cb -0.16 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 2pfw s LEU 75 CO 0.11 0.30 0.06 1.07 0.23 0.00 0.00 176.35 178.13 2pfw n THR 76 N 1.99 0.00 -1.58 5.49 5.66 -1.26 0.13 114.28 124.70 2pfw n THR 76 Ca -0.16 -2.28 -0.52 0.00 -3.05 0.00 0.00 64.05 58.03 2pfw n THR 76 Cb 0.52 0.62 -0.06 0.00 -1.55 0.00 0.00 70.33 69.87 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 -1.32 -1.06 -0.14 1.79 0.00 -1.25 -1.50 120.51 117.04 2pfw n ALA 77 Ca -0.18 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2pfw n ALA 77 Cb 0.60 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.00 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 2.38 0.77 3.97 0.00 0.00 -0.24 -5.02 105.19 107.05 2pfw n GLY 78 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.78 5.96 0.12 1.61 1.01 -0.56 -4.87 116.67 117.16 2pfw s ASP 79 Ca 0.00 0.13 -0.06 0.00 0.71 0.00 0.00 52.55 53.33 2pfw s ASP 79 Cb 0.00 -1.51 -0.02 0.00 1.01 0.00 0.00 42.92 42.41 2pfw s ASP 79 CO 0.00 -0.53 0.18 -0.94 0.21 0.00 0.00 175.17 174.09 2pfw s SER 80 N -4.17 0.16 0.10 0.27 1.04 -1.26 -0.47 113.70 109.38 2pfw s SER 80 Ca 0.45 -0.89 0.02 0.00 0.48 0.00 0.00 55.95 56.00 2pfw s SER 80 Cb -0.10 0.36 -0.04 0.00 0.10 0.00 0.00 66.02 66.34 2pfw s SER 80 CO 0.35 -0.78 -0.05 0.72 0.98 0.00 0.00 173.24 174.45 2pfw s PHE 81 N -3.95 0.91 -0.09 5.02 -0.71 -0.46 -4.99 117.98 113.70 2pfw s PHE 81 Ca 0.14 -0.94 0.02 0.00 -1.04 0.00 0.00 56.93 55.11 2pfw s PHE 81 Cb 0.05 -0.53 0.01 0.00 -1.21 0.00 0.00 43.02 41.35 2pfw s PHE 81 CO -0.04 -0.18 -0.14 0.12 -1.34 0.00 0.00 175.22 173.64 2pfw s PHE 82 N -3.65 1.83 -0.34 3.49 5.36 -1.26 -0.59 117.98 122.81 2pfw s PHE 82 Ca 0.13 -0.80 -0.04 0.00 -0.96 0.00 0.00 56.93 55.25 2pfw s PHE 82 Cb 0.06 -1.32 0.06 0.00 -0.34 0.00 0.00 43.02 41.47 2pfw s PHE 82 CO -0.04 -0.41 0.09 0.08 -1.46 0.00 0.00 175.22 173.48 2pfw s VAL 83 N 0.89 3.46 0.92 3.12 1.01 -0.44 -5.04 120.40 124.32 2pfw s VAL 83 Ca -0.09 -1.37 -0.10 0.00 0.00 0.00 0.00 61.98 60.41 2pfw s VAL 83 Cb -0.15 -3.04 0.15 0.00 0.00 0.00 0.00 36.38 33.34 2pfw s VAL 83 CO 0.00 -0.25 1.13 -2.84 0.00 0.00 0.00 175.10 173.15 2pfw s PRO 84 N 1.31 0.99 0.20 2.72 0.02 -1.26 -2.58 135.00 136.40 2pfw s PRO 84 Ca -0.01 1.45 -0.33 0.00 0.02 0.00 0.00 61.00 62.14 2pfw s PRO 84 Cb -0.20 -1.73 -0.14 0.00 0.02 0.00 0.00 34.50 32.45 2pfw s PRO 84 CO 0.00 -2.62 1.47 -2.30 -0.33 0.00 0.00 177.00 173.22 2pfw n PRO 85 N -4.22 2.01 -0.95 5.54 -0.02 -1.26 -2.17 135.00 133.94 2pfw n PRO 85 Ca 0.11 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2pfw n PRO 85 Cb 0.52 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 2.54 0.00 -2.67 6.00 8.25 0.24 -4.99 115.22 124.58 2pfw n HIS 86 Ca 0.14 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.19 2pfw n HIS 86 Cb 0.30 -0.67 -0.04 0.00 1.12 0.00 0.00 29.99 30.69 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 -1.99 4.30 0.32 1.59 1.01 -0.92 -4.75 120.40 119.96 2pfw s VAL 87 Ca 0.00 1.95 -0.29 0.00 0.00 0.00 0.00 61.98 63.64 2pfw s VAL 87 Cb 0.00 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 32.03 2pfw s VAL 87 CO 0.00 0.32 1.42 -1.81 0.00 0.00 0.00 175.10 175.03 2pfw s ASP 88 N -0.10 6.57 0.08 3.32 1.01 -1.26 -4.67 116.67 121.62 2pfw s ASP 88 Ca 0.47 2.82 -0.20 0.00 0.71 0.00 0.00 52.55 56.35 2pfw s ASP 88 Cb -0.25 -2.65 0.05 0.00 1.01 0.00 0.00 42.92 41.08 2pfw s ASP 88 CO 0.31 -0.71 0.49 -1.38 0.21 0.00 0.00 175.17 174.09 2pfw s HIS 89 N -0.79 -0.37 0.08 4.23 -3.43 -0.96 -0.63 115.29 113.42 2pfw s HIS 89 Ca 0.54 0.29 -0.10 0.00 -0.80 0.00 0.00 55.06 54.99 2pfw s HIS 89 Cb -0.43 0.33 0.00 0.00 -1.43 0.00 0.00 32.58 31.05 2pfw s HIS 89 CO 0.54 -0.67 0.22 0.20 -2.00 0.00 0.00 174.74 173.03 2pfw s GLY 90 N -2.25 0.03 -0.09 -1.38 0.00 0.28 -2.49 107.32 101.43 2pfw s GLY 90 Ca -0.03 -0.45 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 2pfw s GLY 90 CO -0.05 -0.64 0.20 0.00 0.00 0.00 0.00 173.10 172.60 2pfw s ALA 91 N -3.49 -0.42 -0.02 3.20 0.00 -1.26 0.73 121.76 120.50 2pfw s ALA 91 Ca 0.02 0.83 0.06 0.00 0.00 0.00 0.00 51.96 52.87 2pfw s ALA 91 Cb 0.03 -0.54 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 2pfw s ALA 91 CO -0.09 -0.17 -0.19 0.08 0.00 0.00 0.00 175.76 175.39 2pfw s VAL 92 N 1.16 1.48 -0.42 0.00 1.01 -0.52 -2.82 120.40 120.29 2pfw s VAL 92 Ca -0.09 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2pfw s VAL 92 Cb -0.10 -1.24 0.12 0.00 0.00 0.00 0.00 36.38 35.16 2pfw s VAL 92 CO -0.07 0.42 0.19 0.00 0.00 0.00 0.00 175.10 175.64 2pfw h PRO 94 N 7.05 0.82 0.00 0.00 0.11 -1.87 1.46 132.00 139.57 2pfw h PRO 94 Ca -0.06 -0.25 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2pfw h PRO 94 Cb 0.95 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2pfw h PRO 94 CO 0.54 0.86 -0.31 1.79 -0.21 0.00 0.00 178.00 180.67 2pfw h THR 95 N 0.75 0.00 0.00 -1.15 1.35 -1.91 -2.92 112.91 109.03 2pfw h THR 95 Ca 0.13 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2pfw h THR 95 Cb 0.55 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 2pfw h THR 95 CO 0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.91 2pfw n GLY 96 N 1.26 -0.37 0.00 5.82 0.00 -1.14 -4.58 105.19 106.19 2pfw n GLY 96 Ca 0.04 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.06 -1.57 2.89 -0.02 0.00 -0.87 -4.07 105.19 101.49 2pfw n GLY 97 Ca 0.00 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.72 -0.03 0.08 -0.61 1.01 0.40 -1.06 121.20 118.26 2pfw s ILE 98 Ca 0.00 0.12 0.10 0.00 0.00 0.00 0.00 60.65 60.87 2pfw s ILE 98 Cb 0.00 -0.15 -0.03 0.00 0.01 0.00 0.00 42.46 42.29 2pfw s ILE 98 CO 0.00 0.05 -0.25 -0.76 0.00 0.00 0.00 174.94 173.98 2pfw s LEU 99 N 0.72 2.31 -0.36 2.97 1.43 -0.60 -0.42 118.68 124.73 2pfw s LEU 99 Ca -0.06 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.31 2pfw s LEU 99 Cb -0.08 -1.31 0.02 0.00 0.03 0.00 0.00 46.19 44.85 2pfw s LEU 99 CO -0.03 0.23 0.20 -0.63 0.23 0.00 0.00 176.35 176.34 2pfw s ILE 100 N -0.93 4.56 -0.25 -0.59 -1.09 -0.14 -1.63 121.20 121.13 2pfw s ILE 100 Ca 0.13 -0.79 -0.11 0.00 -2.23 0.00 0.00 60.65 57.65 2pfw s ILE 100 Cb -0.10 -3.51 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 2pfw s ILE 100 CO 0.04 -0.18 0.21 -1.81 -1.23 0.00 0.00 174.94 171.97 2pfw s ASP 101 N 1.56 6.13 -0.02 3.58 1.01 -0.77 -1.33 116.67 126.83 2pfw s ASP 101 Ca 0.02 0.12 0.08 0.00 0.71 0.00 0.00 52.55 53.49 2pfw s ASP 101 Cb -0.19 -2.13 -0.02 0.00 1.01 0.00 0.00 42.92 41.59 2pfw s ASP 101 CO 0.06 -0.00 -0.26 0.42 0.21 0.00 0.00 175.17 175.61 2pfw s THR 102 N 1.39 2.01 -0.03 -1.27 -4.23 -0.10 -0.85 115.64 112.57 2pfw s THR 102 Ca 0.09 -1.10 0.04 0.00 -1.18 0.00 0.00 61.69 59.54 2pfw s THR 102 Cb -0.15 -1.67 -0.00 0.00 1.34 0.00 0.00 72.50 72.02 2pfw s THR 102 CO 0.07 0.56 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.21 2pfw s PHE 103 N -0.61 1.36 -0.19 3.99 0.08 -1.26 -0.54 117.98 120.81 2pfw s PHE 103 Ca 0.10 -0.33 -0.05 0.00 0.12 0.00 0.00 56.93 56.77 2pfw s PHE 103 Cb -0.10 -0.91 -0.03 0.00 -0.57 0.00 0.00 43.02 41.42 2pfw s PHE 103 CO -0.01 -0.09 -0.01 0.45 -0.10 0.00 0.00 175.22 175.46 2pfw s SER 104 N -0.07 4.85 1.02 1.36 0.15 -0.64 -4.34 113.70 116.04 2pfw s SER 104 Ca 0.00 -0.18 -0.22 0.00 0.70 0.00 0.00 55.95 56.25 2pfw s SER 104 Cb -0.08 -1.82 -0.10 0.00 -1.71 0.00 0.00 66.02 62.30 2pfw s SER 104 CO 0.01 0.09 -0.90 -0.81 1.20 0.00 0.00 173.24 172.82 2pfw n PRO 105 N 4.07 -0.39 -1.18 5.44 -0.04 -1.26 -0.97 135.00 140.68 2pfw n PRO 105 Ca -0.17 -0.11 -0.33 0.00 -0.04 0.00 0.00 63.50 62.85 2pfw n PRO 105 Cb 0.52 -1.23 0.12 0.00 -0.04 0.00 0.00 33.50 32.87 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 -2.08 1.92 -0.55 0.55 0.00 -0.64 -4.65 121.76 116.31 2pfw s ALA 106 Ca 0.43 0.76 -0.22 0.00 0.00 0.00 0.00 51.96 52.92 2pfw s ALA 106 Cb -0.03 -3.46 0.05 0.00 0.00 0.00 0.00 23.12 19.69 2pfw s ALA 106 CO 0.70 -2.17 0.85 1.03 0.00 0.00 0.00 175.76 176.16 2pfw s ARG 107 N -4.21 3.25 0.61 0.00 1.81 -1.26 -4.93 118.95 114.22 2pfw s ARG 107 Ca 0.71 -0.51 0.33 0.00 -1.72 0.00 0.00 55.73 54.55 2pfw s ARG 107 Cb -0.27 -4.08 1.95 0.00 -0.45 0.00 0.00 34.95 32.10 2pfw s ARG 107 CO 0.50 -1.43 2.28 1.49 -0.68 0.00 0.00 175.30 177.46 2pfw h GLU 108 N 9.24 0.00 0.00 3.54 4.81 -1.99 -2.01 114.58 128.16 2pfw h GLU 108 Ca -0.27 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 2pfw h GLU 108 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 2pfw h GLU 108 CO 1.06 0.01 0.00 0.38 -0.73 0.00 0.00 179.01 179.72 2pfw h ASP 109 N 0.00 0.00 0.04 1.04 2.03 -2.04 -3.06 116.42 114.43 2pfw h ASP 109 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2pfw h ASP 109 Cb 0.02 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 2pfw h ASP 109 CO 0.00 0.00 -0.62 0.49 -1.03 0.00 0.00 179.24 178.09 2pfw n PHE 110 N -2.39 0.00 -0.18 4.15 3.72 -0.76 -4.47 117.46 117.53 2pfw n PHE 110 Ca -0.00 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.46 2pfw n PHE 110 Cb 0.12 -0.03 0.17 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 2pfw n VAL 111 N -0.62 0.99 0.00 -4.37 0.31 -1.16 -5.15 118.33 108.33 2pfw n VAL 111 Ca 0.08 -0.99 0.00 0.00 -0.01 0.00 0.00 64.34 63.41 2pfw n VAL 111 Cb 0.41 0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.85 2pfw n VAL 111 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89