#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfw n LEU 2 N 0.00 1.87 -0.31 0.00 -0.00 -1.26 -2.01 117.00 115.29 1sfw n LEU 2 Ca 0.00 0.47 0.07 0.00 -0.00 0.00 0.00 56.01 56.55 1sfw n LEU 2 Cb 0.00 -0.89 0.29 0.00 -0.00 0.00 0.00 43.42 42.82 1sfw n LEU 2 CO 0.00 0.03 1.23 4.11 -0.00 0.00 0.00 177.39 182.76 1sfw h TRP 3 N -1.00 1.00 0.05 1.96 0.09 -1.95 0.81 115.95 116.91 1sfw h TRP 3 Ca -0.26 0.03 -0.24 0.00 0.09 0.00 0.00 58.89 58.51 1sfw h TRP 3 Cb 1.07 -0.32 -0.00 0.00 0.08 0.00 0.00 29.16 29.99 1sfw h TRP 3 CO -0.09 0.44 -1.05 0.37 0.09 0.00 0.00 178.44 178.20 1sfw h GLN 4 N 0.91 0.26 0.00 0.12 4.15 -1.93 -2.92 115.11 115.69 1sfw h GLN 4 Ca 0.44 -0.35 -0.12 0.00 0.77 0.00 0.00 58.65 59.39 1sfw h GLN 4 Cb 0.45 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1sfw h GLN 4 CO -0.20 1.10 -0.56 0.27 -1.93 0.00 0.00 178.83 177.51 1sfw h PHE 5 N 0.11 0.00 0.00 3.99 -0.00 -1.38 -3.27 116.94 116.39 1sfw h PHE 5 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.89 1sfw h PHE 5 Cb 1.73 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.68 1sfw h PHE 5 CO 0.05 0.56 0.00 0.54 -0.00 0.00 0.00 178.31 179.46 1sfw n ARG 6 N -3.74 0.60 0.00 6.09 3.00 0.27 -0.28 116.66 122.61 1sfw n ARG 6 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.83 1sfw n ARG 6 Cb 0.59 -1.20 0.00 0.00 0.00 0.00 0.00 32.46 31.85 1sfw n ARG 6 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1sfw n SER 7 N 0.84 0.00 0.04 0.55 2.88 -1.21 -4.77 113.62 111.94 1sfw n SER 7 Ca 0.00 0.00 0.21 0.00 -1.33 0.00 0.00 58.87 57.75 1sfw n SER 7 Cb 0.30 -0.10 0.65 0.00 -0.75 0.00 0.00 64.21 64.31 1sfw n SER 7 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfw h MET 8 N 0.00 0.00 -0.12 -1.46 -0.00 -1.77 -2.63 114.93 108.96 1sfw h MET 8 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 59.70 59.73 1sfw h MET 8 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 31.57 1sfw h MET 8 CO 0.00 0.00 -0.05 0.82 -0.00 0.00 0.00 176.91 177.68 1sfw h ILE 9 N 0.00 0.84 0.00 -0.10 1.08 -0.96 0.67 117.51 119.04 1sfw h ILE 9 Ca 0.25 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.72 1sfw h ILE 9 Cb 1.56 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 36.15 1sfw h ILE 9 CO -0.00 0.00 0.00 1.17 -0.69 0.00 0.00 178.15 178.63 1sfw n LYS 10 N -5.18 0.15 -0.04 2.37 0.00 -1.06 -1.70 118.16 112.71 1sfw n LYS 10 Ca -0.04 0.25 -0.14 0.00 0.00 0.00 0.00 58.31 58.38 1sfw n LYS 10 Cb 0.11 -1.72 -0.09 0.00 0.00 0.00 0.00 35.03 33.32 1sfw n LYS 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1sfw h ALA 12 N 0.47 3.07 -2.67 0.00 0.00 -0.27 -3.37 119.26 116.47 1sfw h ALA 12 Ca -0.00 0.02 -0.63 0.00 0.00 0.00 0.00 54.91 54.30 1sfw h ALA 12 Cb 0.79 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1sfw h ALA 12 CO 0.04 -1.58 -0.31 0.42 0.00 0.00 0.00 179.25 177.82 1sfw s ILE 13 N -5.12 5.21 -1.32 0.00 -1.09 -0.69 -4.80 121.20 113.39 1sfw s ILE 13 Ca -0.06 0.50 -0.17 0.00 -2.23 0.00 0.00 60.65 58.69 1sfw s ILE 13 Cb 0.27 -3.60 0.03 0.00 -1.58 0.00 0.00 42.46 37.58 1sfw s ILE 13 CO 0.83 0.51 1.95 -0.81 -1.23 0.00 0.00 174.94 176.20 1sfw n PRO 14 N 1.60 2.84 -1.40 2.79 -0.05 -1.26 -4.76 135.00 134.77 1sfw n PRO 14 Ca -0.14 -2.87 0.00 0.00 -0.05 0.00 0.00 63.50 60.44 1sfw n PRO 14 Cb 0.53 -3.40 0.00 0.00 -0.05 0.00 0.00 33.50 30.58 1sfw n PRO 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1sfw n GLY 15 N 4.88 4.83 0.00 0.55 0.00 -1.24 -5.14 105.19 109.07 1sfw n GLY 15 Ca 0.50 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1sfw n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sfw n SER 16 N -1.41 0.00 -4.67 1.61 3.41 -1.26 -5.03 113.62 106.27 1sfw n SER 16 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.24 1sfw n SER 16 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1sfw n SER 16 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1sfw s HIS 17 N 0.48 3.35 0.14 7.33 0.00 -1.26 -4.98 115.29 120.35 1sfw s HIS 17 Ca 0.00 0.37 -0.13 0.00 -3.00 0.00 0.00 55.06 52.30 1sfw s HIS 17 Cb 0.00 -2.35 -0.00 0.00 -4.00 0.00 0.00 32.58 26.23 1sfw s HIS 17 CO 0.00 0.06 1.59 -1.00 -1.00 0.00 0.00 174.74 174.39 1sfw h PRO 18 N 7.38 0.79 0.00 -0.38 0.13 -1.91 -3.40 132.00 134.62 1sfw h PRO 18 Ca -0.38 -0.25 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1sfw h PRO 18 Cb 1.17 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1sfw h PRO 18 CO 0.69 0.85 0.00 1.28 -0.23 0.00 0.00 178.00 180.59 1sfw n LEU 19 N -4.39 0.00 0.00 1.56 4.77 -1.26 -4.59 117.00 113.09 1sfw n LEU 19 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sfw n LEU 19 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1sfw n LEU 19 CO 0.41 0.00 0.00 0.23 -1.33 0.00 0.00 177.39 176.70 1sfw n MET 20 N 0.00 0.00 0.08 3.23 2.81 -1.26 -1.19 117.12 120.80 1sfw n MET 20 Ca 0.00 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 55.93 1sfw n MET 20 Cb 0.00 0.00 0.22 0.00 -0.71 0.00 0.00 33.22 32.73 1sfw n MET 20 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1sfw n ASP 21 N 0.00 0.21 0.00 7.83 2.03 -1.26 -4.20 116.55 121.17 1sfw n ASP 21 Ca 0.00 0.50 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1sfw n ASP 21 Cb 0.00 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1sfw n ASP 21 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1sfw n PHE 22 N -1.75 0.00 -0.16 -0.67 3.01 -0.33 -4.80 117.46 112.76 1sfw n PHE 22 Ca -0.01 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.37 1sfw n PHE 22 Cb 0.19 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.63 1sfw n PHE 22 CO 0.00 0.00 0.00 -0.97 1.01 0.00 0.00 176.76 176.80 1sfw h ASN 23 N 0.00 -1.31 -4.10 4.37 -0.73 -1.78 -1.03 115.58 111.00 1sfw h ASN 23 Ca 0.00 0.22 -0.67 0.00 1.87 0.00 0.00 56.30 57.72 1sfw h ASN 23 Cb 0.05 0.60 -0.38 0.00 0.27 0.00 0.00 38.32 38.86 1sfw h ASN 23 CO 0.00 -0.34 -0.45 0.20 -0.37 0.00 0.00 177.43 176.47 1sfw s ASN 24 N -5.11 4.93 -0.28 1.15 -0.87 -1.26 -2.16 114.94 111.34 1sfw s ASN 24 Ca -0.15 -3.08 0.02 0.00 -1.57 0.00 0.00 52.86 48.09 1sfw s ASN 24 Cb 0.13 -1.76 0.17 0.00 -0.02 0.00 0.00 41.25 39.77 1sfw s ASN 24 CO 0.67 -0.28 0.47 -0.47 -2.57 0.00 0.00 177.10 174.93 1sfw s TYR 25 N -0.39 -1.28 0.00 2.20 5.04 -1.24 -2.57 117.35 119.11 1sfw s TYR 25 Ca 0.19 0.76 0.00 0.00 -2.44 0.00 0.00 57.07 55.57 1sfw s TYR 25 Cb -0.20 0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.19 1sfw s TYR 25 CO -0.04 -0.96 0.00 0.41 -1.34 0.00 0.00 175.55 173.62 1sfw n GLY 26 N 5.38 1.57 0.12 8.97 0.00 -1.26 -2.86 105.19 117.12 1sfw n GLY 26 Ca 0.01 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1sfw n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfw n TYR 28 N -2.69 -1.42 0.63 0.00 0.18 -1.17 -3.71 117.16 108.99 1sfw n TYR 28 Ca -0.01 -2.85 0.04 0.00 1.88 0.00 0.00 57.90 56.96 1sfw n TYR 28 Cb 0.05 0.70 0.26 0.00 -0.38 0.00 0.00 39.34 39.97 1sfw n TYR 28 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1sfw n GLY 30 N -0.34 -1.34 0.07 0.00 0.00 -0.91 -4.75 105.19 97.91 1sfw n GLY 30 Ca 0.07 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.45 1sfw n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1sfw n LEU 31 N -3.03 0.00 0.00 0.99 7.94 -1.26 -4.95 117.00 116.70 1sfw n LEU 31 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1sfw n LEU 31 Cb 0.00 -0.21 0.00 0.00 0.53 0.00 0.00 43.42 43.74 1sfw n LEU 31 CO 0.00 -0.24 0.00 0.61 -1.11 0.00 0.00 177.39 176.65 1sfw n GLY 32 N 2.25 -0.41 5.15 -3.96 0.00 -0.92 -5.00 105.19 102.31 1sfw n GLY 32 Ca 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 46.02 44.83 1sfw n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sfw n GLY 33 N 3.54 -0.54 3.54 -0.02 0.00 -1.24 -4.59 105.19 105.87 1sfw n GLY 33 Ca 0.00 -0.47 -0.15 0.00 0.00 0.00 0.00 46.02 45.40 1sfw n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1sfw s SER 34 N -3.94 -0.55 0.00 1.61 0.15 -1.26 -4.89 113.70 104.81 1sfw s SER 34 Ca 0.00 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1sfw s SER 34 Cb 0.00 0.45 0.00 0.00 -1.71 0.00 0.00 66.02 64.76 1sfw s SER 34 CO 0.00 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 174.54 1sfw n GLY 35 N 0.82 0.37 3.09 9.45 0.00 -1.26 -4.92 105.19 112.75 1sfw n GLY 35 Ca -0.16 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 1sfw n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sfw s THR 36 N 0.00 0.15 0.00 2.61 -4.23 -1.26 -5.07 115.64 107.83 1sfw s THR 36 Ca 0.00 -1.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.31 1sfw s THR 36 Cb 0.00 -0.92 0.00 0.00 1.34 0.00 0.00 72.50 72.92 1sfw s THR 36 CO 0.00 -0.66 0.00 -0.81 -0.54 0.00 0.00 174.62 172.61 1sfw n PRO 37 N 0.75 2.01 0.10 3.99 -0.04 -1.26 -4.79 135.00 135.76 1sfw n PRO 37 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1sfw n PRO 37 Cb 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.05 1sfw n PRO 37 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1sfw n VAL 38 N 0.00 0.56 -2.38 0.52 0.24 -1.26 -4.90 118.33 111.11 1sfw n VAL 38 Ca 0.00 0.18 -0.29 0.00 -2.04 0.00 0.00 64.34 62.19 1sfw n VAL 38 Cb 0.00 -0.99 -0.00 0.00 -1.47 0.00 0.00 33.84 31.37 1sfw n VAL 38 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1sfw s ASP 39 N -5.45 6.32 0.29 -1.34 2.15 -1.26 -4.94 116.67 112.44 1sfw s ASP 39 Ca 0.00 1.18 0.04 0.00 0.43 0.00 0.00 52.55 54.20 1sfw s ASP 39 Cb 0.00 -2.36 0.74 0.00 -0.30 0.00 0.00 42.92 41.00 1sfw s ASP 39 CO 0.00 -0.66 1.69 -0.08 -0.17 0.00 0.00 175.17 175.96 1sfw h GLU 40 N 0.24 0.38 0.08 4.34 4.22 -2.00 -0.39 114.58 121.45 1sfw h GLU 40 Ca -0.46 -0.02 0.02 0.00 0.08 0.00 0.00 59.36 58.98 1sfw h GLU 40 Cb 1.20 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 1sfw h GLU 40 CO 0.62 0.25 -0.26 -0.07 -2.18 0.00 0.00 179.01 177.37 1sfw h LEU 41 N 0.39 -0.75 -2.82 1.64 3.38 -1.94 -2.35 115.31 112.87 1sfw h LEU 41 Ca 0.56 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.63 1sfw h LEU 41 Cb 1.08 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 1sfw h LEU 41 CO -0.54 -0.34 0.02 -0.78 0.09 0.00 0.00 178.44 176.90 1sfw h ASP 42 N -0.45 0.00 -0.09 -0.43 3.58 -1.77 -1.69 116.42 115.58 1sfw h ASP 42 Ca 0.04 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.41 1sfw h ASP 42 Cb 0.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1sfw h ASP 42 CO -0.18 0.00 -0.24 0.03 -2.88 0.00 0.00 179.24 175.97 1sfw h ARG 43 N 0.00 0.32 0.00 0.28 2.47 -0.57 0.14 114.38 117.01 1sfw h ARG 43 Ca 0.00 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1sfw h ARG 43 Cb 0.05 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 1sfw h ARG 43 CO -0.00 0.84 0.00 0.00 0.56 0.00 0.00 179.97 181.37 1sfw h GLU 46 N 0.00 0.26 0.00 0.00 4.11 -0.67 -3.02 114.58 115.26 1sfw h GLU 46 Ca -0.35 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.04 1sfw h GLU 46 Cb 2.05 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.26 1sfw h GLU 46 CO 0.06 0.31 -0.69 2.41 0.07 0.00 0.00 179.01 181.18 1sfw n THR 47 N -4.36 0.29 -2.37 -1.06 -1.04 -1.09 -1.01 114.28 103.64 1sfw n THR 47 Ca -0.00 -0.24 -0.42 0.00 -2.04 0.00 0.00 64.05 61.34 1sfw n THR 47 Cb 0.19 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 1sfw n THR 47 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1sfw n HIS 48 N -2.03 2.76 0.00 -1.42 -0.00 0.29 -0.16 115.22 114.66 1sfw n HIS 48 Ca 0.03 -2.75 0.00 0.00 0.46 0.00 0.00 57.72 55.46 1sfw n HIS 48 Cb 0.43 -1.82 0.00 0.00 -0.12 0.00 0.00 29.99 28.48 1sfw n HIS 48 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1sfw n ASP 49 N 3.09 0.00 0.08 0.26 8.00 -1.26 -4.79 116.55 121.93 1sfw n ASP 49 Ca 0.42 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.77 1sfw n ASP 49 Cb 0.34 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.30 1sfw n ASP 49 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1sfw h ASN 50 N 0.00 0.33 -0.45 -2.24 2.35 -1.03 -2.18 115.58 112.36 1sfw h ASN 50 Ca 0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1sfw h ASN 50 Cb 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.26 1sfw h ASN 50 CO 0.00 1.31 0.00 0.00 -1.65 0.00 0.00 177.43 177.09 1sfw n TYR 52 N 0.71 0.62 -0.35 0.00 9.36 -1.03 -4.32 117.16 122.15 1sfw n TYR 52 Ca 0.18 0.27 0.09 0.00 3.32 0.00 0.00 57.90 61.76 1sfw n TYR 52 Cb 0.66 -1.04 0.19 0.00 -0.63 0.00 0.00 39.34 38.51 1sfw n TYR 52 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1sfw n ARG 53 N -4.37 -0.09 0.16 2.98 0.00 -0.85 -4.24 116.66 110.25 1sfw n ARG 53 Ca -0.40 1.52 0.15 0.00 -0.00 0.00 0.00 57.85 59.13 1sfw n ARG 53 Cb 0.74 -2.31 0.51 0.00 -0.00 0.00 0.00 32.46 31.40 1sfw n ARG 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 1sfw h ASP 54 N 0.00 0.00 -1.12 2.89 2.03 -1.78 -0.23 116.42 118.21 1sfw h ASP 54 Ca 0.52 0.00 0.39 0.00 -0.73 0.00 0.00 57.03 57.20 1sfw h ASP 54 Cb 0.89 0.00 -0.11 0.00 -0.83 0.00 0.00 39.33 39.28 1sfw h ASP 54 CO -0.99 0.00 0.72 0.00 -1.03 0.00 0.00 179.24 177.94 1sfw n ALA 55 N -1.97 1.11 -0.25 4.15 0.00 -1.26 -1.72 120.51 120.56 1sfw n ALA 55 Ca 0.06 0.70 0.05 0.00 0.00 0.00 0.00 53.44 54.25 1sfw n ALA 55 Cb 0.84 -0.85 0.18 0.00 0.00 0.00 0.00 19.45 19.62 1sfw n ALA 55 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1sfw h LYS 56 N 0.00 0.38 0.00 0.00 -0.00 -1.22 -3.37 116.57 112.36 1sfw h LYS 56 Ca 0.71 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 61.34 1sfw h LYS 56 Cb 2.29 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 34.44 1sfw h LYS 56 CO -0.37 0.25 -0.23 -1.71 -0.00 0.00 0.00 179.45 177.39 1sfw n ASN 57 N -5.04 0.60 -1.13 7.07 5.15 -1.01 -4.06 115.26 116.84 1sfw n ASN 57 Ca 0.14 0.26 0.12 0.00 -0.60 0.00 0.00 54.58 54.50 1sfw n ASN 57 Cb 0.42 -0.60 -0.06 0.00 -0.53 0.00 0.00 39.78 39.01 1sfw n ASN 57 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1sfw n LEU 58 N -3.07 -0.66 0.20 1.20 7.94 -0.70 -3.54 117.00 118.37 1sfw n LEU 58 Ca -0.03 1.52 0.05 0.00 -1.11 0.00 0.00 56.01 56.44 1sfw n LEU 58 Cb 0.12 -2.81 0.40 0.00 0.53 0.00 0.00 43.42 41.66 1sfw n LEU 58 CO 0.05 -1.54 0.73 -0.78 -1.11 0.00 0.00 177.39 174.74 1sfw h ASP 59 N -1.29 0.00 0.00 1.96 3.58 -1.94 -3.40 116.42 115.33 1sfw h ASP 59 Ca -0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1sfw h ASP 59 Cb 0.99 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.04 1sfw h ASP 59 CO 0.05 0.35 -0.42 -0.24 -2.88 0.00 0.00 179.24 176.10 1sfw n SER 60 N -3.75 2.05 -3.90 2.28 2.88 -1.26 -5.02 113.62 106.89 1sfw n SER 60 Ca -0.01 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.23 1sfw n SER 60 Cb 0.44 0.18 -0.14 0.00 -0.75 0.00 0.00 64.21 63.94 1sfw n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfw n LYS 62 N 3.85 0.63 0.00 0.00 4.01 -1.23 -3.44 118.16 121.98 1sfw n LYS 62 Ca 0.04 0.13 0.00 0.00 -0.51 0.00 0.00 58.31 57.98 1sfw n LYS 62 Cb 0.37 -1.74 0.00 0.00 -0.51 0.00 0.00 35.03 33.16 1sfw n LYS 62 CO 0.00 0.00 0.00 1.97 -1.11 0.00 0.00 177.40 178.26 1sfw n PHE 63 N -2.78 0.00 -0.91 2.13 -1.74 -1.26 -4.62 117.46 108.28 1sfw n PHE 63 Ca -0.11 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.48 1sfw n PHE 63 Cb 0.82 0.00 0.23 0.00 1.52 0.00 0.00 39.48 42.06 1sfw n PHE 63 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1sfw s LEU 64 N 0.00 0.67 0.00 5.98 1.43 -1.26 -4.78 118.68 120.71 1sfw s LEU 64 Ca 0.00 0.96 0.00 0.00 -1.03 0.00 0.00 54.13 54.06 1sfw s LEU 64 Cb 0.00 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.43 1sfw s LEU 64 CO 0.00 -4.06 0.00 1.33 0.23 0.00 0.00 176.35 173.85 1sfw n VAL 65 N -4.77 0.00 -2.24 -1.59 0.24 -1.26 -4.98 118.33 103.74 1sfw n VAL 65 Ca 0.09 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.96 1sfw n VAL 65 Cb 0.58 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.93 1sfw n VAL 65 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1sfw s ASP 66 N 0.00 6.28 0.63 -1.34 -4.77 -1.26 -5.04 116.67 111.17 1sfw s ASP 66 Ca 0.00 1.12 -0.11 0.00 -3.30 0.00 0.00 52.55 50.26 1sfw s ASP 66 Cb 0.00 -2.54 -0.03 0.00 -1.09 0.00 0.00 42.92 39.26 1sfw s ASP 66 CO 0.00 -1.42 1.04 0.20 0.70 0.00 0.00 175.17 175.68 1sfw s ASN 67 N 4.33 6.09 0.29 2.11 0.01 -1.26 -4.89 114.94 121.62 1sfw s ASN 67 Ca 0.67 1.44 0.11 0.00 -0.71 0.00 0.00 52.86 54.37 1sfw s ASN 67 Cb -0.18 -2.46 0.62 0.00 0.41 0.00 0.00 41.25 39.65 1sfw s ASN 67 CO 0.31 -0.96 1.24 -2.65 -1.51 0.00 0.00 177.10 173.52 1sfw n PRO 68 N -2.81 0.08 -3.68 -0.60 -0.02 -1.26 -3.87 135.00 122.84 1sfw n PRO 68 Ca 0.06 0.54 -0.29 0.00 -2.02 0.00 0.00 63.50 61.79 1sfw n PRO 68 Cb 0.54 -2.05 -0.16 0.00 -0.02 0.00 0.00 33.50 31.82 1sfw n PRO 68 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1sfw s TYR 69 N -3.23 1.05 0.03 6.00 2.02 -1.26 -4.53 117.35 117.43 1sfw s TYR 69 Ca -0.01 -1.15 0.00 0.00 -0.37 0.00 0.00 57.07 55.53 1sfw s TYR 69 Cb 0.03 -1.23 0.00 0.00 -0.40 0.00 0.00 41.96 40.37 1sfw s TYR 69 CO 0.10 -0.76 0.00 0.25 -1.57 0.00 0.00 175.55 173.58 1sfw n THR 70 N 5.04 0.00 0.09 -0.71 -2.24 -1.25 -4.78 114.28 110.42 1sfw n THR 70 Ca -0.06 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 1sfw n THR 70 Cb 0.44 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 1sfw n THR 70 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sfw h GLU 71 N 0.00 -0.38 0.00 -0.78 5.08 -1.86 -3.35 114.58 113.29 1sfw h GLU 71 Ca 0.00 0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1sfw h GLU 71 Cb 0.00 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1sfw h GLU 71 CO 0.00 -0.25 0.00 -1.13 -1.00 0.00 0.00 179.01 176.63 1sfw n SER 72 N -5.35 0.10 0.00 1.42 3.41 -1.26 -4.69 113.62 107.25 1sfw n SER 72 Ca -0.06 -1.08 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 1sfw n SER 72 Cb 0.26 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1sfw n SER 72 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1sfw n TYR 73 N -1.39 0.00 -2.68 7.33 4.01 -1.26 -3.85 117.16 119.32 1sfw n TYR 73 Ca 0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.70 1sfw n TYR 73 Cb 0.04 -0.06 0.07 0.00 -0.31 0.00 0.00 39.34 39.08 1sfw n TYR 73 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sfw n SER 74 N -0.04 -1.56 -1.10 7.72 2.88 -0.72 -4.94 113.62 115.86 1sfw n SER 74 Ca 0.00 -2.04 0.00 0.00 -1.33 0.00 0.00 58.87 55.50 1sfw n SER 74 Cb 0.00 0.91 0.00 0.00 -0.75 0.00 0.00 64.21 64.37 1sfw n SER 74 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfw n TYR 75 N 1.50 0.00 -0.60 0.66 4.11 -1.07 -4.02 117.16 117.74 1sfw n TYR 75 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.92 1sfw n TYR 75 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.04 1sfw n TYR 75 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1sfw n SER 76 N 0.00 0.00 -4.75 9.48 2.88 -1.26 -4.96 113.62 115.01 1sfw n SER 76 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 1sfw n SER 76 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1sfw n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfw n SER 78 N -1.02 0.00 -0.32 0.00 7.64 -0.58 -4.92 113.62 114.42 1sfw n SER 78 Ca 0.10 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.09 1sfw n SER 78 Cb 0.45 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.88 1sfw n SER 78 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1sfw h ASN 79 N 0.00 -0.52 0.00 6.43 2.35 -1.96 -3.42 115.58 118.47 1sfw h ASN 79 Ca 0.00 0.26 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1sfw h ASN 79 Cb 0.00 0.47 0.00 0.00 0.05 0.00 0.00 38.32 38.84 1sfw h ASN 79 CO 0.00 -0.30 0.00 0.35 -1.65 0.00 0.00 177.43 175.83 1sfw n THR 80 N -5.47 0.00 -3.70 2.81 -2.24 -1.26 -4.95 114.28 99.47 1sfw n THR 80 Ca 0.19 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.60 1sfw n THR 80 Cb 0.63 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.80 1sfw n THR 80 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sfw s GLU 81 N -0.31 3.67 0.00 -0.78 2.02 -1.26 -2.06 118.70 119.97 1sfw s GLU 81 Ca 0.00 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.12 1sfw s GLU 81 Cb 0.00 -3.20 0.00 0.00 0.10 0.00 0.00 34.13 31.03 1sfw s GLU 81 CO 0.00 0.74 0.00 -0.89 0.02 0.00 0.00 175.26 175.13 1sfw n ILE 82 N 1.89 0.00 0.00 -1.63 -0.00 -1.26 -1.53 119.36 116.83 1sfw n ILE 82 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.58 1sfw n ILE 82 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.18 1sfw n ILE 82 CO 0.00 0.00 0.00 1.07 -0.00 0.00 0.00 176.55 177.62 1sfw n THR 83 N 0.00 0.00 0.00 1.39 5.66 -1.26 -4.89 114.28 115.18 1sfw n THR 83 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1sfw n THR 83 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1sfw n THR 83 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sfw s ASN 85 N -1.93 1.18 -0.37 0.00 6.03 -1.26 -1.75 114.94 116.84 1sfw s ASN 85 Ca 0.00 -1.60 0.12 0.00 -1.03 0.00 0.00 52.86 50.35 1sfw s ASN 85 Cb 0.00 0.57 0.34 0.00 -3.03 0.00 0.00 41.25 39.13 1sfw s ASN 85 CO 0.00 -1.11 0.73 -0.24 -2.03 0.00 0.00 177.10 174.45 1sfw n SER 86 N -1.29 0.72 -1.71 3.54 2.88 -1.26 -4.91 113.62 111.59 1sfw n SER 86 Ca 0.04 -3.01 -0.03 0.00 -1.33 0.00 0.00 58.87 54.54 1sfw n SER 86 Cb 0.63 -0.56 0.03 0.00 -0.75 0.00 0.00 64.21 63.55 1sfw n SER 86 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1sfw n LYS 87 N 0.34 0.57 -1.55 -1.46 0.00 -1.26 -5.12 118.16 109.68 1sfw n LYS 87 Ca 0.24 -0.88 -0.43 0.00 -0.00 0.00 0.00 58.31 57.24 1sfw n LYS 87 Cb 0.65 0.42 -0.04 0.00 -0.00 0.00 0.00 35.03 36.06 1sfw n LYS 87 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1sfw n ASN 88 N -0.65 2.67 -4.03 -5.58 3.02 -1.26 -4.80 115.26 104.63 1sfw n ASN 88 Ca -0.18 0.06 -0.20 0.00 -0.03 0.00 0.00 54.58 54.22 1sfw n ASN 88 Cb 0.71 -1.48 -0.15 0.00 -0.61 0.00 0.00 39.78 38.25 1sfw n ASN 88 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1sfw s ASN 89 N 9.18 1.29 0.54 6.41 -0.87 -1.26 -4.93 114.94 125.29 1sfw s ASN 89 Ca 1.03 -0.20 0.35 0.00 -1.57 0.00 0.00 52.86 52.48 1sfw s ASN 89 Cb -0.43 -0.26 1.53 0.00 -0.02 0.00 0.00 41.25 42.07 1sfw s ASN 89 CO 0.36 0.10 1.82 0.00 -2.57 0.00 0.00 177.10 176.81 1sfw h ALA 90 N 6.16 3.05 -0.64 0.60 0.00 -1.94 -1.03 119.26 125.46 1sfw h ALA 90 Ca -0.33 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.61 1sfw h ALA 90 Cb 1.17 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 1sfw h ALA 90 CO 0.49 -1.38 -0.38 0.00 0.00 0.00 0.00 179.25 177.98 1sfw h GLU 92 N 0.00 0.00 -0.65 0.00 9.09 -1.51 -3.35 114.58 118.16 1sfw h GLU 92 Ca 0.10 0.00 0.11 0.00 0.05 0.00 0.00 59.36 59.62 1sfw h GLU 92 Cb 0.26 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.28 1sfw h GLU 92 CO -0.60 0.36 0.24 0.00 0.05 0.00 0.00 179.01 179.05 1sfw h ALA 93 N -0.70 0.86 0.01 1.06 0.00 -1.30 0.15 119.26 119.32 1sfw h ALA 93 Ca -0.04 0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.76 1sfw h ALA 93 Cb 0.50 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1sfw h ALA 93 CO -0.03 -0.20 -0.90 0.35 0.00 0.00 0.00 179.25 178.47 1sfw h PHE 94 N 0.41 0.38 -0.43 0.00 3.04 -1.28 -2.40 116.94 116.66 1sfw h PHE 94 Ca 0.34 -0.21 -0.11 0.00 3.98 0.00 0.00 57.97 61.97 1sfw h PHE 94 Cb 0.45 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 1sfw h PHE 94 CO -0.17 1.03 -0.16 0.82 -2.02 0.00 0.00 178.31 177.80 1sfw h ILE 95 N 0.14 1.27 -0.83 1.41 5.03 -1.47 -2.40 117.51 120.65 1sfw h ILE 95 Ca -0.05 -1.26 0.18 0.00 -0.12 0.00 0.00 64.86 63.60 1sfw h ILE 95 Cb 1.54 1.11 -0.11 0.00 -3.03 0.00 0.00 36.82 36.33 1sfw h ILE 95 CO 0.14 0.43 0.33 0.00 -0.68 0.00 0.00 178.15 178.37 1sfw h ASN 97 N 0.40 0.84 -0.30 0.00 -1.24 -0.92 -1.60 115.58 112.75 1sfw h ASN 97 Ca 0.49 -0.19 -0.06 0.00 0.71 0.00 0.00 56.30 57.25 1sfw h ASN 97 Cb 0.85 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.67 1sfw h ASN 97 CO -0.48 0.80 -0.04 0.00 -1.29 0.00 0.00 177.43 176.41 1sfw h ASP 99 N 0.34 -0.68 -0.78 0.00 3.32 -1.33 -2.05 116.42 115.24 1sfw h ASP 99 Ca 0.08 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1sfw h ASP 99 Cb 0.51 0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 1sfw h ASP 99 CO 0.02 -0.48 0.41 0.03 -1.72 0.00 0.00 179.24 177.50 1sfw h ARG 100 N -0.81 1.10 0.00 3.56 2.47 -1.41 0.10 114.38 119.40 1sfw h ARG 100 Ca -0.08 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.50 1sfw h ARG 100 Cb 0.62 -0.21 0.00 0.00 -1.65 0.00 0.00 29.97 28.73 1sfw h ARG 100 CO 0.13 0.83 0.00 -1.71 0.56 0.00 0.00 179.97 179.78 1sfw n ASN 101 N -4.41 0.70 0.08 7.04 5.15 -0.84 -1.38 115.26 121.60 1sfw n ASN 101 Ca 0.07 0.69 -0.10 0.00 -0.60 0.00 0.00 54.58 54.64 1sfw n ASN 101 Cb 0.11 -0.83 -0.10 0.00 -0.53 0.00 0.00 39.78 38.43 1sfw n ASN 101 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sfw h ALA 102 N 2.22 0.30 0.00 5.20 0.00 -0.70 -1.76 119.26 124.52 1sfw h ALA 102 Ca 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 1sfw h ALA 102 Cb 0.33 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1sfw h ALA 102 CO 0.00 1.08 -0.00 0.00 0.00 0.00 0.00 179.25 180.33 1sfw h ALA 103 N 0.85 1.01 0.06 0.00 0.00 0.44 0.18 119.26 121.80 1sfw h ALA 103 Ca -0.06 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.51 1sfw h ALA 103 Cb 1.78 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 1sfw h ALA 103 CO 0.16 0.00 -1.89 -0.89 0.00 0.00 0.00 179.25 176.62 1sfw n ILE 104 N -3.09 1.66 -0.13 0.00 -0.00 -1.02 -1.05 119.36 115.73 1sfw n ILE 104 Ca -0.03 -0.44 -0.07 0.00 -0.00 0.00 0.00 62.75 62.21 1sfw n ILE 104 Cb 0.09 -1.80 0.10 0.00 -0.00 0.00 0.00 39.64 38.03 1sfw n ILE 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1sfw h PHE 106 N 0.77 0.57 0.00 0.00 0.04 -0.77 -3.11 116.94 114.45 1sfw h PHE 106 Ca 0.13 -0.41 0.00 0.00 2.80 0.00 0.00 57.97 60.49 1sfw h PHE 106 Cb 0.58 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.71 1sfw h PHE 106 CO 0.03 1.51 0.00 0.66 -0.60 0.00 0.00 178.31 179.91 1sfw h SER 107 N 0.08 0.00 0.00 2.17 4.64 -1.28 -3.46 113.55 115.71 1sfw h SER 107 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1sfw h SER 107 Cb 2.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.15 1sfw h SER 107 CO 0.17 0.00 0.00 2.29 -0.87 0.00 0.00 176.83 178.42 1sfw n LYS 108 N -3.07 0.00 0.00 4.77 2.85 -1.23 -4.88 118.16 116.60 1sfw n LYS 108 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1sfw n LYS 108 Cb 0.34 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.72 1sfw n LYS 108 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1sfw n ALA 109 N -3.00 0.00 -0.66 0.58 0.00 -1.17 -2.06 120.51 114.20 1sfw n ALA 109 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1sfw n ALA 109 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 1sfw n ALA 109 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1sfw n PRO 110 N 10.32 4.30 -1.65 0.00 -0.04 -1.26 -5.08 135.00 141.60 1sfw n PRO 110 Ca 0.00 -2.84 -0.59 0.00 -0.04 0.00 0.00 63.50 60.03 1sfw n PRO 110 Cb 0.00 -2.11 -0.08 0.00 -0.04 0.00 0.00 33.50 31.27 1sfw n PRO 110 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1sfw n TYR 111 N 0.72 1.56 -3.69 0.54 4.19 -0.87 -5.01 117.16 114.58 1sfw n TYR 111 Ca 0.25 0.83 -0.17 0.00 3.31 0.00 0.00 57.90 62.13 1sfw n TYR 111 Cb 1.04 -2.29 -0.16 0.00 0.49 0.00 0.00 39.34 38.42 1sfw n TYR 111 CO 0.00 0.00 0.00 -0.80 0.91 0.00 0.00 176.86 176.97 1sfw s ASN 112 N 1.97 0.63 -1.20 2.98 0.01 -1.26 -5.09 114.94 112.97 1sfw s ASN 112 Ca 0.96 0.23 -0.13 0.00 -0.71 0.00 0.00 52.86 53.21 1sfw s ASN 112 Cb -1.20 0.12 0.19 0.00 0.41 0.00 0.00 41.25 40.77 1sfw s ASN 112 CO 0.64 -0.22 1.40 2.29 -1.51 0.00 0.00 177.10 179.70 1sfw n LYS 113 N 5.00 3.42 0.06 -0.60 0.00 -1.26 -4.35 118.16 120.43 1sfw n LYS 113 Ca -0.11 -3.95 0.00 0.00 -0.00 0.00 0.00 58.31 54.26 1sfw n LYS 113 Cb 0.50 -2.95 0.00 0.00 -0.00 0.00 0.00 35.03 32.58 1sfw n LYS 113 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1sfw n GLU 114 N 5.04 0.00 -2.68 -1.58 -0.00 -1.26 -4.74 120.64 115.42 1sfw n GLU 114 Ca 0.35 0.00 -0.42 0.00 -0.00 0.00 0.00 57.16 57.09 1sfw n GLU 114 Cb 0.42 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.87 1sfw n GLU 114 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 1sfw n HIS 115 N -2.76 2.52 -3.22 -1.84 1.44 -1.26 -4.98 115.22 105.12 1sfw n HIS 115 Ca 0.00 -2.62 -0.27 0.00 -2.01 0.00 0.00 57.72 52.81 1sfw n HIS 115 Cb 0.00 -1.41 -0.02 0.00 0.12 0.00 0.00 29.99 28.68 1sfw n HIS 115 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 1sfw s LYS 116 N -2.57 3.60 0.00 -1.40 2.47 -1.26 -4.01 119.74 116.56 1sfw s LYS 116 Ca 0.37 -0.02 0.00 0.00 -1.56 0.00 0.00 55.97 54.77 1sfw s LYS 116 Cb 0.11 -2.60 0.00 0.00 -1.46 0.00 0.00 37.83 33.88 1sfw s LYS 116 CO 0.00 0.13 0.00 -1.71 0.16 0.00 0.00 175.35 173.93 1sfw n ASN 117 N -1.32 0.00 0.00 1.43 2.85 -1.06 -4.96 115.26 112.20 1sfw n ASN 117 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 1sfw n ASN 117 Cb 0.55 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.57 1sfw n ASN 117 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1sfw n LEU 118 N 0.00 0.00 0.00 1.20 4.77 -1.26 -4.92 117.00 116.79 1sfw n LEU 118 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1sfw n LEU 118 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1sfw n LEU 118 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.39 1sfw n ASP 119 N -1.57 0.00 -0.38 -1.43 -0.08 -1.26 -5.11 116.55 106.72 1sfw n ASP 119 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1sfw n ASP 119 Cb 0.00 0.26 0.00 0.00 2.34 0.00 0.00 41.12 43.72 1sfw n ASP 119 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1sfw n THR 120 N -2.13 -0.11 0.15 5.18 -2.24 -1.26 -4.93 114.28 108.94 1sfw n THR 120 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1sfw n THR 120 Cb 0.00 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 1sfw n THR 120 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1sfw n LYS 121 N -0.38 0.00 -0.09 -0.78 5.02 -1.17 -4.21 118.16 116.55 1sfw n LYS 121 Ca 0.00 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.21 1sfw n LYS 121 Cb 0.16 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.17 1sfw n LYS 121 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1sfw h LYS 122 N 0.00 0.36 0.04 1.97 1.57 -2.00 -3.37 116.57 115.14 1sfw h LYS 122 Ca 0.00 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.46 1sfw h LYS 122 Cb 0.00 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 1sfw h LYS 122 CO 0.00 0.24 -1.62 0.66 -0.57 0.00 0.00 179.45 178.16 1sfw n TYR 123 N -4.91 1.02 -0.78 -1.35 4.01 -1.26 -5.14 117.16 108.75 1sfw n TYR 123 Ca -0.01 0.35 0.00 0.00 -0.16 0.00 0.00 57.90 58.08 1sfw n TYR 123 Cb 0.05 -1.11 0.00 0.00 -0.31 0.00 0.00 39.34 37.97 1sfw n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40