#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 1.52 -0.32 0.00 -0.00 -1.26 -3.37 117.00 113.57 1sfw n LEU 2 Ca 0.00 0.41 0.14 0.00 -0.00 0.00 0.00 56.01 56.56 1sfw n LEU 2 Cb 0.00 -0.75 0.33 0.00 -0.00 0.00 0.00 43.42 43.00 1sfw n LEU 2 CO 0.00 -0.39 1.11 4.11 -0.00 0.00 0.00 177.39 182.21 1sfw h TRP 3 N -0.81 0.84 0.00 1.96 0.09 -1.96 -0.65 115.95 115.42 1sfw h TRP 3 Ca 0.00 0.04 -0.12 0.00 0.09 0.00 0.00 58.89 58.90 1sfw h TRP 3 Cb 0.62 -0.22 -0.02 0.00 0.08 0.00 0.00 29.16 29.62 1sfw h TRP 3 CO -0.27 0.05 -0.56 1.96 0.09 0.00 0.00 178.44 179.71 1sfw h GLN 4 N 0.53 0.00 -0.24 0.12 4.20 -1.91 -3.00 115.11 114.81 1sfw h GLN 4 Ca 0.58 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.29 1sfw h GLN 4 Cb 1.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.82 1sfw h GLN 4 CO -0.47 0.56 0.14 0.35 -0.67 0.00 0.00 178.83 178.74 1sfw h PHE 5 N 0.00 0.30 0.00 2.96 3.04 -1.17 -3.03 116.94 119.05 1sfw h PHE 5 Ca -0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1sfw h PHE 5 Cb 1.16 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.56 1sfw h PHE 5 CO 0.00 0.21 0.00 0.54 -2.02 0.00 0.00 178.31 177.04 1sfw n ARG 6 N -4.49 0.34 -0.08 1.11 5.12 -0.59 -1.21 116.66 116.86 1sfw n ARG 6 Ca 0.01 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.83 1sfw n ARG 6 Cb 0.08 -1.14 -0.05 0.00 -1.16 0.00 0.00 32.46 30.19 1sfw n ARG 6 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1sfw h SER 7 N 0.56 0.00 0.00 0.55 0.87 -1.69 -3.45 113.55 110.39 1sfw h SER 7 Ca 0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1sfw h SER 7 Cb 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1sfw h SER 7 CO 0.00 0.99 -0.79 1.15 -0.53 0.00 0.00 176.83 177.64 1sfw n MET 8 N -4.56 1.47 0.25 2.24 -0.00 -1.08 -3.36 117.12 112.08 1sfw n MET 8 Ca -0.15 -0.00 0.11 0.00 -0.00 0.00 0.00 57.70 57.66 1sfw n MET 8 Cb 0.39 -1.29 0.65 0.00 -0.00 0.00 0.00 33.22 32.98 1sfw n MET 8 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1sfw h ILE 9 N 0.00 0.70 0.00 3.17 1.08 -1.47 0.62 117.51 121.62 1sfw h ILE 9 Ca 0.00 -0.63 -0.22 0.00 -0.39 0.00 0.00 64.86 63.62 1sfw h ILE 9 Cb 0.40 1.39 -0.04 0.00 -3.07 0.00 0.00 36.82 35.50 1sfw h ILE 9 CO 0.00 0.15 -1.28 0.11 -0.69 0.00 0.00 178.15 176.44 1sfw h LYS 10 N 0.00 0.00 -0.45 2.37 6.56 -1.76 -2.28 116.57 121.01 1sfw h LYS 10 Ca -0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.54 1sfw h LYS 10 Cb 0.38 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.02 1sfw h LYS 10 CO 0.02 0.60 0.08 0.00 -2.06 0.00 0.00 179.45 178.09 1sfw h ALA 12 N 0.95 2.01 -3.23 0.00 0.00 -0.95 -3.36 119.26 114.68 1sfw h ALA 12 Ca 0.14 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.45 1sfw h ALA 12 Cb 0.37 -0.04 -0.40 0.00 0.00 0.00 0.00 17.79 17.72 1sfw h ALA 12 CO 0.01 -0.04 -0.75 0.42 0.00 0.00 0.00 179.25 178.88 1sfw s ILE 13 N -5.18 1.03 0.17 0.00 1.09 -0.86 -4.46 121.20 112.98 1sfw s ILE 13 Ca -0.06 -1.45 -0.25 0.00 -1.10 0.00 0.00 60.65 57.79 1sfw s ILE 13 Cb 0.18 -1.75 0.04 0.00 -1.06 0.00 0.00 42.46 39.87 1sfw s ILE 13 CO 0.70 -0.62 1.57 -0.65 -0.10 0.00 0.00 174.94 175.83 1sfw h PRO 14 N 8.04 -0.22 0.00 2.79 0.11 -1.70 -3.39 132.00 137.63 1sfw h PRO 14 Ca -0.13 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1sfw h PRO 14 Cb 1.02 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1sfw h PRO 14 CO 0.47 -0.14 0.00 0.41 -0.21 0.00 0.00 178.00 178.52 1sfw n GLY 15 N -1.41 -1.95 0.00 -0.55 0.00 -1.26 -4.92 105.19 95.10 1sfw n GLY 15 Ca 0.02 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1sfw n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1sfw n SER 16 N 0.66 0.00 -4.09 1.61 2.88 -1.26 -5.04 113.62 108.37 1sfw n SER 16 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 1sfw n SER 16 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1sfw n SER 16 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1sfw s HIS 17 N 1.84 3.61 -1.57 0.66 5.65 -1.26 -5.05 115.29 119.17 1sfw s HIS 17 Ca 0.00 -2.57 0.20 0.00 0.25 0.00 0.00 55.06 52.94 1sfw s HIS 17 Cb 0.00 -3.16 1.05 0.00 -1.18 0.00 0.00 32.58 29.29 1sfw s HIS 17 CO 0.00 -0.96 1.61 -2.30 -0.65 0.00 0.00 174.74 172.45 1sfw n PRO 18 N 4.42 0.37 -0.09 2.88 -0.02 -1.26 -0.01 135.00 141.30 1sfw n PRO 18 Ca -0.00 0.08 -0.22 0.00 -2.02 0.00 0.00 63.50 61.33 1sfw n PRO 18 Cb 0.41 -1.50 -0.12 0.00 -0.02 0.00 0.00 33.50 32.27 1sfw n PRO 18 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1sfw n LEU 19 N -1.21 2.04 0.00 2.45 4.77 -1.26 -4.65 117.00 119.13 1sfw n LEU 19 Ca 0.11 0.37 0.07 0.00 -0.03 0.00 0.00 56.01 56.52 1sfw n LEU 19 Cb 0.14 -0.99 0.33 0.00 -2.33 0.00 0.00 43.42 40.57 1sfw n LEU 19 CO 0.14 0.43 0.71 0.23 -1.33 0.00 0.00 177.39 177.57 1sfw n MET 20 N -4.21 0.10 0.00 3.23 2.81 -0.85 0.11 117.12 118.31 1sfw n MET 20 Ca -0.34 0.20 0.04 0.00 -1.81 0.00 0.00 57.70 55.79 1sfw n MET 20 Cb 0.78 -1.50 0.22 0.00 -0.71 0.00 0.00 33.22 32.01 1sfw n MET 20 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1sfw n ASP 21 N -1.39 0.00 0.00 7.83 8.00 0.99 -4.38 116.55 127.60 1sfw n ASP 21 Ca 0.05 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1sfw n ASP 21 Cb 0.14 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1sfw n ASP 21 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1sfw n PHE 22 N -1.22 0.00 -0.22 1.24 3.01 0.30 -4.85 117.46 115.73 1sfw n PHE 22 Ca 0.05 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.53 1sfw n PHE 22 Cb 0.06 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 39.64 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 -0.34 -3.42 4.37 -0.73 0.53 -2.36 115.58 113.63 1sfw h ASN 23 Ca 0.00 0.17 -0.62 0.00 1.87 0.00 0.00 56.30 57.72 1sfw h ASN 23 Cb 0.00 0.31 -0.41 0.00 0.27 0.00 0.00 38.32 38.49 1sfw h ASN 23 CO 0.00 -0.15 -0.69 0.20 -0.37 0.00 0.00 177.43 176.42 1sfw s ASN 24 N -5.22 3.89 -0.30 1.15 -0.87 -1.26 -2.98 114.94 109.35 1sfw s ASN 24 Ca -0.14 -3.17 0.04 0.00 -1.57 0.00 0.00 52.86 48.03 1sfw s ASN 24 Cb 0.20 -1.29 0.18 0.00 -0.02 0.00 0.00 41.25 40.33 1sfw s ASN 24 CO 0.74 -0.19 0.51 -0.47 -2.57 0.00 0.00 177.10 175.13 1sfw s TYR 25 N -0.42 -1.45 0.00 2.20 6.14 -1.23 -2.32 117.35 120.27 1sfw s TYR 25 Ca 0.22 0.65 0.00 0.00 0.64 0.00 0.00 57.07 58.58 1sfw s TYR 25 Cb -0.15 0.10 0.00 0.00 0.42 0.00 0.00 41.96 42.33 1sfw s TYR 25 CO -0.08 -1.05 0.00 0.41 0.64 0.00 0.00 175.55 175.47 1sfw n GLY 26 N 5.28 1.78 3.52 8.97 0.00 -1.26 -3.69 105.19 119.79 1sfw n GLY 26 Ca 0.04 0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 0.86 -1.93 1.76 0.00 0.18 -0.81 -4.76 117.16 112.46 1sfw n TYR 28 Ca -0.19 0.84 0.12 0.00 1.88 0.00 0.00 57.90 60.55 1sfw n TYR 28 Cb 0.57 -4.24 0.73 0.00 -0.38 0.00 0.00 39.34 36.03 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 0.71 -2.09 0.02 0.00 0.00 -1.20 -4.71 105.19 97.92 1sfw n GLY 30 Ca 0.19 0.68 -0.02 0.00 0.00 0.00 0.00 46.02 46.87 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 0.00 0.47 -4.67 0.99 7.94 -1.26 -4.92 117.00 115.56 1sfw n LEU 31 Ca 0.00 0.19 -0.43 0.00 -1.11 0.00 0.00 56.01 54.66 1sfw n LEU 31 Cb 0.00 -0.57 -0.02 0.00 0.53 0.00 0.00 43.42 43.36 1sfw n LEU 31 CO 0.00 -0.46 0.90 -0.83 -1.11 0.00 0.00 177.39 175.89 1sfw s GLY 32 N -3.26 1.82 0.00 -3.96 0.00 -1.16 -4.93 107.32 95.84 1sfw s GLY 32 Ca -0.06 0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.89 1sfw s GLY 32 CO 0.09 2.15 0.00 0.61 0.00 0.00 0.00 173.10 175.95 1sfw n GLY 33 N 3.29 -2.14 3.60 0.20 0.00 -1.26 -1.92 105.19 106.96 1sfw n GLY 33 Ca 0.11 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.21 1sfw n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sfw s SER 34 N -3.46 -0.54 0.00 1.61 1.04 -1.26 -4.82 113.70 106.27 1sfw s SER 34 Ca 0.00 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.30 1sfw s SER 34 Cb 0.00 0.82 0.00 0.00 0.10 0.00 0.00 66.02 66.94 1sfw s SER 34 CO 0.00 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1sfw n GLY 35 N 1.73 -0.54 2.84 7.32 0.00 -1.26 -5.07 105.19 110.20 1sfw n GLY 35 Ca -0.14 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.02 0.00 2.61 -4.23 -1.26 -5.02 115.64 107.72 1sfw s THR 36 Ca 0.00 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.60 1sfw s THR 36 Cb 0.00 -0.05 0.00 0.00 1.34 0.00 0.00 72.50 73.79 1sfw s THR 36 CO 0.00 0.04 0.00 -0.81 -0.54 0.00 0.00 174.62 173.31 1sfw n PRO 37 N 3.52 3.58 0.03 3.99 -0.04 -1.26 -4.91 135.00 139.92 1sfw n PRO 37 Ca -0.18 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.26 1sfw n PRO 37 Cb 0.56 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 1.25 -2.63 0.52 0.24 -1.26 -4.96 118.33 111.48 1sfw n VAL 38 Ca 0.00 0.37 -0.28 0.00 -2.04 0.00 0.00 64.34 62.39 1sfw n VAL 38 Cb 0.00 -1.68 -0.01 0.00 -1.47 0.00 0.00 33.84 30.69 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 -5.98 6.31 0.19 -1.34 -1.08 -1.26 -4.96 116.67 108.55 1sfw s ASP 39 Ca -0.03 0.99 -0.14 0.00 -0.52 0.00 0.00 52.55 52.85 1sfw s ASP 39 Cb 0.00 -2.27 0.19 0.00 -1.46 0.00 0.00 42.92 39.38 1sfw s ASP 39 CO 0.05 -0.56 1.67 -0.08 0.52 0.00 0.00 175.17 176.77 1sfw h GLU 40 N 0.39 0.09 -0.58 4.34 4.57 -1.97 -1.38 114.58 120.04 1sfw h GLU 40 Ca -0.47 -0.01 0.11 0.00 -1.18 0.00 0.00 59.36 57.82 1sfw h GLU 40 Cb 1.20 -0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.68 1sfw h GLU 40 CO 0.62 0.06 0.09 1.25 -1.18 0.00 0.00 179.01 179.85 1sfw h LEU 41 N 0.09 -0.07 -0.04 1.64 6.46 -1.93 -1.50 115.31 119.96 1sfw h LEU 41 Ca 0.26 0.12 0.00 0.00 -0.12 0.00 0.00 57.88 58.13 1sfw h LEU 41 Cb 0.39 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1sfw h LEU 41 CO -0.44 -0.02 0.00 -0.67 -0.62 0.00 0.00 178.44 176.68 1sfw n ASP 42 N -5.17 0.03 -0.06 1.25 -0.08 -1.03 -2.46 116.55 109.04 1sfw n ASP 42 Ca 0.08 0.51 -0.14 0.00 -1.51 0.00 0.00 54.79 53.73 1sfw n ASP 42 Cb 0.32 -0.52 -0.12 0.00 2.34 0.00 0.00 41.12 43.14 1sfw n ASP 42 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1sfw h ARG 43 N 0.00 -0.00 0.00 -0.67 2.47 -0.17 -1.07 114.38 114.93 1sfw h ARG 43 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1sfw h ARG 43 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 1sfw h ARG 43 CO 0.00 0.89 0.00 0.00 0.56 0.00 0.00 179.97 181.42 1sfw h GLU 46 N -0.66 0.51 -0.01 0.00 -0.00 -0.96 -2.62 114.58 110.85 1sfw h GLU 46 Ca -0.40 -0.07 0.00 0.00 -0.00 0.00 0.00 59.36 58.90 1sfw h GLU 46 Cb 1.56 -0.10 0.00 0.00 -0.00 0.00 0.00 28.75 30.21 1sfw h GLU 46 CO -0.13 0.43 -0.16 2.41 -0.00 0.00 0.00 179.01 181.56 1sfw n THR 47 N -4.38 0.00 0.00 -1.06 -1.04 -0.50 -1.02 114.28 106.27 1sfw n THR 47 Ca 0.02 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 1sfw n THR 47 Cb 0.15 0.68 0.00 0.00 -1.82 0.00 0.00 70.33 69.34 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 -0.02 0.00 -0.20 -1.42 -0.00 -0.55 -1.26 115.22 111.77 1sfw n HIS 48 Ca 0.15 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.96 1sfw n HIS 48 Cb 0.40 -0.27 0.19 0.00 -0.00 0.00 0.00 29.99 30.30 1sfw n HIS 48 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1sfw n ASP 49 N -1.32 -0.04 0.09 0.26 8.00 -1.09 0.66 116.55 123.10 1sfw n ASP 49 Ca 0.00 0.99 -0.08 0.00 0.71 0.00 0.00 54.79 56.41 1sfw n ASP 49 Cb 0.00 -0.37 0.02 0.00 -0.02 0.00 0.00 41.12 40.75 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 0.25 -0.34 -2.24 -0.26 -1.14 -1.84 115.58 110.01 1sfw h ASN 50 Ca 0.37 -0.18 0.00 0.00 -0.56 0.00 0.00 56.30 55.92 1sfw h ASN 50 Cb 0.79 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.97 1sfw h ASN 50 CO -0.54 0.95 0.00 0.00 -1.06 0.00 0.00 177.43 176.78 1sfw n TYR 52 N 0.44 0.44 -0.14 0.00 9.36 0.21 -4.33 117.16 123.13 1sfw n TYR 52 Ca 0.15 0.19 -0.03 0.00 3.32 0.00 0.00 57.90 61.52 1sfw n TYR 52 Cb 0.66 -0.98 0.03 0.00 -0.63 0.00 0.00 39.34 38.42 1sfw n TYR 52 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1sfw h ARG 53 N -1.00 0.03 -0.22 2.98 -0.00 -1.52 -3.41 114.38 111.24 1sfw h ARG 53 Ca -0.47 -0.00 0.04 0.00 -0.00 0.00 0.00 59.98 59.55 1sfw h ARG 53 Cb 1.38 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 31.34 1sfw h ARG 53 CO -0.29 0.02 0.16 0.38 -0.00 0.00 0.00 179.97 180.24 1sfw h ASP 54 N 0.03 0.09 0.59 0.08 2.03 -1.75 -2.02 116.42 115.47 1sfw h ASP 54 Ca 0.22 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.52 1sfw h ASP 54 Cb 0.34 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.82 1sfw h ASP 54 CO -0.45 0.06 0.00 0.00 -1.03 0.00 0.00 179.24 177.82 1sfw n ALA 55 N -2.55 1.85 -0.30 4.15 0.00 -1.26 -2.45 120.51 119.95 1sfw n ALA 55 Ca 0.02 -0.07 0.11 0.00 0.00 0.00 0.00 53.44 53.50 1sfw n ALA 55 Cb 0.23 -1.29 0.28 0.00 0.00 0.00 0.00 19.45 18.66 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 0.41 0.00 0.00 -0.00 -1.63 -3.22 116.57 112.14 1sfw h LYS 56 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.65 60.62 1sfw h LYS 56 Cb 0.30 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 32.43 1sfw h LYS 56 CO 0.00 0.27 -0.03 -0.97 -0.00 0.00 0.00 179.45 178.73 1sfw h ASN 57 N 0.43 0.02 -0.78 7.07 -1.24 -1.66 -3.43 115.58 115.97 1sfw h ASN 57 Ca 0.52 -0.98 0.00 0.00 0.71 0.00 0.00 56.30 56.56 1sfw h ASN 57 Cb 0.95 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.99 1sfw h ASN 57 CO -0.50 0.99 0.00 -0.11 -1.29 0.00 0.00 177.43 176.53 1sfw n LEU 58 N -4.60 0.00 -0.32 0.34 7.94 -1.02 -3.97 117.00 115.36 1sfw n LEU 58 Ca -0.10 0.06 0.12 0.00 -1.11 0.00 0.00 56.01 54.98 1sfw n LEU 58 Cb 0.48 -0.54 0.34 0.00 0.53 0.00 0.00 43.42 44.23 1sfw n LEU 58 CO 0.34 0.00 1.22 0.44 -1.11 0.00 0.00 177.39 178.28 1sfw h ASP 59 N 0.42 0.73 0.00 1.96 3.32 -1.92 -3.20 116.42 117.73 1sfw h ASP 59 Ca 0.00 0.06 -0.31 0.00 0.02 0.00 0.00 57.03 56.80 1sfw h ASP 59 Cb 0.00 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.41 1sfw h ASP 59 CO 0.00 0.33 -2.28 -0.24 -1.72 0.00 0.00 179.24 175.34 1sfw n SER 60 N -4.63 0.25 -3.75 6.45 2.88 -1.26 -4.85 113.62 108.71 1sfw n SER 60 Ca 0.20 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.44 1sfw n SER 60 Cb 0.50 1.08 -0.13 0.00 -0.75 0.00 0.00 64.21 64.91 1sfw n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfw h LYS 62 N 6.72 -0.04 -7.31 0.00 1.79 -1.69 -3.23 116.57 112.80 1sfw h LYS 62 Ca -0.03 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.94 1sfw h LYS 62 Cb 0.92 0.01 0.14 0.00 -1.58 0.00 0.00 32.23 31.72 1sfw h LYS 62 CO 0.52 0.12 0.29 -0.59 -1.08 0.00 0.00 179.45 178.71 1sfw s PHE 63 N -1.83 2.44 0.22 -1.35 -0.71 -1.26 -4.70 117.98 110.79 1sfw s PHE 63 Ca -0.04 1.51 0.00 0.00 -1.04 0.00 0.00 56.93 57.36 1sfw s PHE 63 Cb -0.00 -3.09 0.00 0.00 -1.21 0.00 0.00 43.02 38.71 1sfw s PHE 63 CO 0.13 -2.02 0.00 1.28 -1.34 0.00 0.00 175.22 173.27 1sfw n LEU 64 N -3.67 -0.44 0.00 -1.99 4.77 -1.26 -4.98 117.00 109.43 1sfw n LEU 64 Ca 0.09 0.98 0.00 0.00 -0.03 0.00 0.00 56.01 57.04 1sfw n LEU 64 Cb 0.53 -2.92 0.00 0.00 -2.33 0.00 0.00 43.42 38.70 1sfw n LEU 64 CO 0.54 -2.06 0.00 1.33 -1.33 0.00 0.00 177.39 175.86 1sfw n VAL 65 N -2.86 -0.94 -0.03 4.08 0.24 -1.26 -4.80 118.33 112.76 1sfw n VAL 65 Ca -0.00 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.09 1sfw n VAL 65 Cb 0.60 -0.86 -0.13 0.00 -1.47 0.00 0.00 33.84 31.98 1sfw n VAL 65 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1sfw h ASP 66 N 0.00 0.23 -6.33 -1.34 3.32 -1.96 -3.44 116.42 106.89 1sfw h ASP 66 Ca 0.00 -0.80 -0.46 0.00 0.02 0.00 0.00 57.03 55.79 1sfw h ASP 66 Cb 0.00 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.49 1sfw h ASP 66 CO 0.00 1.47 -0.89 0.59 -1.72 0.00 0.00 179.24 178.69 1sfw n ASN 67 N -4.17 -2.12 -0.02 6.45 5.03 -1.26 -4.65 115.26 114.52 1sfw n ASN 67 Ca -0.24 -0.98 -0.13 0.00 0.87 0.00 0.00 54.58 54.11 1sfw n ASN 67 Cb 0.77 -3.35 -0.10 0.00 -1.02 0.00 0.00 39.78 36.09 1sfw n ASN 67 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 1sfw h PRO 68 N -1.86 0.05 -2.71 3.52 0.13 -1.88 -3.28 132.00 125.98 1sfw h PRO 68 Ca -0.64 -0.03 -0.46 0.00 -0.87 0.00 0.00 66.00 64.00 1sfw h PRO 68 Cb 1.37 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.11 1sfw h PRO 68 CO 0.56 0.54 -0.74 0.71 -0.23 0.00 0.00 178.00 178.85 1sfw s TYR 69 N -4.21 0.11 0.20 1.56 2.02 -1.26 -4.44 117.35 111.32 1sfw s TYR 69 Ca -0.16 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 55.99 1sfw s TYR 69 Cb 0.02 -0.74 0.00 0.00 -0.40 0.00 0.00 41.96 40.84 1sfw s TYR 69 CO 0.69 -0.77 0.00 0.25 -1.57 0.00 0.00 175.55 174.15 1sfw n THR 70 N 5.27 0.00 -2.53 -0.71 -2.24 -1.26 -4.80 114.28 108.01 1sfw n THR 70 Ca -0.05 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 1sfw n THR 70 Cb 0.45 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.65 1sfw n THR 70 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1sfw s GLU 71 N -1.79 3.32 0.00 -0.78 2.02 -1.26 -3.14 118.70 117.07 1sfw s GLU 71 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.43 1sfw s GLU 71 Cb 0.00 -4.66 0.00 0.00 0.10 0.00 0.00 34.13 29.57 1sfw s GLU 71 CO 0.00 -2.21 0.00 0.45 0.02 0.00 0.00 175.26 173.52 1sfw n SER 72 N 9.34 0.00 0.00 -0.19 2.88 -1.26 -3.47 113.62 120.92 1sfw n SER 72 Ca 0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1sfw n SER 72 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1sfw n SER 72 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1sfw n TYR 73 N -0.10 0.00 -2.67 0.66 4.02 -1.26 -4.16 117.16 113.66 1sfw n TYR 73 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 1sfw n TYR 73 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 39.34 39.37 1sfw n TYR 73 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1sfw n SER 74 N 0.00 -1.31 -1.39 7.72 2.88 -1.26 -4.94 113.62 115.32 1sfw n SER 74 Ca 0.00 -1.93 0.00 0.00 -1.33 0.00 0.00 58.87 55.61 1sfw n SER 74 Cb 0.00 1.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.58 1sfw n SER 74 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 1sfw n TYR 75 N -0.08 -0.20 -4.23 0.66 4.02 -1.26 -4.23 117.16 111.84 1sfw n TYR 75 Ca -0.15 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.62 1sfw n TYR 75 Cb 0.71 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.99 1sfw n TYR 75 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1sfw n SER 76 N -0.18 0.63 0.00 7.72 2.88 -1.26 -4.97 113.62 118.43 1sfw n SER 76 Ca 0.00 -2.15 0.00 0.00 -1.33 0.00 0.00 58.87 55.39 1sfw n SER 76 Cb 0.00 0.65 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 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 0.00 0.00 0.20 0.00 2.88 -1.06 -4.93 113.62 110.71 1sfw n SER 78 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 1sfw n SER 78 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1sfw n SER 78 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1sfw h ASN 79 N 0.00 -0.65 0.00 -3.46 2.35 -2.02 -3.44 115.58 108.36 1sfw h ASN 79 Ca 0.00 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 1sfw h ASN 79 Cb 0.00 0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.54 1sfw h ASN 79 CO 0.00 -0.38 -0.04 1.07 -1.65 0.00 0.00 177.43 176.43 1sfw n THR 80 N -5.38 0.00 -3.69 2.81 5.66 -1.26 -4.95 114.28 107.47 1sfw n THR 80 Ca -0.09 -0.27 -0.11 0.00 -3.05 0.00 0.00 64.05 60.52 1sfw n THR 80 Cb 0.28 0.61 -0.12 0.00 -1.55 0.00 0.00 70.33 69.56 1sfw n THR 80 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1sfw s GLU 81 N 0.03 0.27 0.52 1.09 2.02 -1.26 -4.30 118.70 117.07 1sfw s GLU 81 Ca 0.02 0.75 0.05 0.00 0.02 0.00 0.00 54.97 55.81 1sfw s GLU 81 Cb 0.10 0.01 0.05 0.00 0.10 0.00 0.00 34.13 34.38 1sfw s GLU 81 CO -0.03 -0.20 0.38 -0.89 0.02 0.00 0.00 175.26 174.54 1sfw n ILE 82 N 4.68 0.00 0.00 -1.63 2.08 -1.26 -2.57 119.36 120.66 1sfw n ILE 82 Ca -0.18 -2.05 0.00 0.00 0.56 0.00 0.00 62.75 61.08 1sfw n ILE 82 Cb 0.52 -0.05 0.00 0.00 -0.75 0.00 0.00 39.64 39.37 1sfw n ILE 82 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 1sfw n THR 83 N -1.71 0.00 0.00 1.39 5.66 -1.26 -4.99 114.28 113.37 1sfw n THR 83 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1sfw n THR 83 Cb 0.59 -0.08 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1sfw n THR 83 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sfw n ASN 85 N 0.00 -2.41 -3.04 0.00 2.04 -1.26 -4.27 115.26 106.32 1sfw n ASN 85 Ca 0.00 -0.64 -0.17 0.00 -0.44 0.00 0.00 54.58 53.33 1sfw n ASN 85 Cb 0.00 -0.52 -0.01 0.00 -2.53 0.00 0.00 39.78 36.72 1sfw n ASN 85 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1sfw n SER 86 N -4.24 -0.52 0.00 0.53 3.41 -1.26 -4.96 113.62 106.57 1sfw n SER 86 Ca 0.07 -3.07 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 1sfw n SER 86 Cb 0.31 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1sfw n SER 86 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1sfw n LYS 87 N 0.89 0.00 -3.85 4.33 0.00 -1.26 -5.16 118.16 113.11 1sfw n LYS 87 Ca 0.18 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.14 1sfw n LYS 87 Cb 0.62 -0.03 -0.05 0.00 -0.00 0.00 0.00 35.03 35.56 1sfw n LYS 87 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 1sfw s ASN 88 N -2.19 6.42 0.14 -5.58 -0.87 -1.26 -5.08 114.94 106.52 1sfw s ASN 88 Ca 0.00 0.45 -0.30 0.00 -1.57 0.00 0.00 52.86 51.44 1sfw s ASN 88 Cb 0.00 -2.05 -0.07 0.00 -0.02 0.00 0.00 41.25 39.11 1sfw s ASN 88 CO 0.00 0.31 1.25 0.20 -2.57 0.00 0.00 177.10 176.28 1sfw s ASN 89 N -1.58 7.01 0.27 -1.22 0.01 -1.26 -4.66 114.94 113.52 1sfw s ASN 89 Ca 0.23 2.20 0.13 0.00 -0.71 0.00 0.00 52.86 54.72 1sfw s ASN 89 Cb -0.13 -2.59 0.71 0.00 0.41 0.00 0.00 41.25 39.65 1sfw s ASN 89 CO 0.13 -0.47 1.32 0.00 -1.51 0.00 0.00 177.10 176.57 1sfw n ALA 90 N 3.22 0.74 0.00 0.60 0.00 -1.26 -4.49 120.51 119.31 1sfw n ALA 90 Ca 0.07 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1sfw n ALA 90 Cb 0.44 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.99 1sfw n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sfw h GLU 92 N 0.00 0.00 -0.04 0.00 4.11 -1.79 -3.39 114.58 113.47 1sfw h GLU 92 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 1sfw h GLU 92 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1sfw h GLU 92 CO 0.00 0.80 0.28 0.00 0.07 0.00 0.00 179.01 180.16 1sfw h ALA 93 N -0.57 1.37 0.06 1.06 0.00 -1.68 0.21 119.26 119.71 1sfw h ALA 93 Ca -0.27 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 1sfw h ALA 93 Cb 1.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1sfw h ALA 93 CO -0.16 -0.30 -0.40 0.35 0.00 0.00 0.00 179.25 178.73 1sfw h PHE 94 N 0.00 0.23 -0.32 0.00 3.04 -0.88 -3.03 116.94 115.98 1sfw h PHE 94 Ca 0.02 -0.17 -0.00 0.00 3.98 0.00 0.00 57.97 61.80 1sfw h PHE 94 Cb 0.58 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 39.07 1sfw h PHE 94 CO 0.00 1.15 0.18 0.82 -2.02 0.00 0.00 178.31 178.45 1sfw h ILE 95 N -0.73 1.10 -0.12 1.41 2.04 -1.23 -2.54 117.51 117.43 1sfw h ILE 95 Ca -0.08 -0.23 0.05 0.00 1.00 0.00 0.00 64.86 65.60 1sfw h ILE 95 Cb 1.29 0.66 -0.06 0.00 -0.74 0.00 0.00 36.82 37.97 1sfw h ILE 95 CO 0.06 0.10 -0.26 0.00 0.00 0.00 0.00 178.15 178.04 1sfw h ASN 97 N -0.34 0.17 0.12 0.00 -1.24 -1.33 -2.35 115.58 110.61 1sfw h ASN 97 Ca 0.10 -0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 1sfw h ASN 97 Cb 0.48 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.49 1sfw h ASN 97 CO -0.31 0.21 -0.06 0.00 -1.29 0.00 0.00 177.43 175.98 1sfw h ASP 99 N -0.29 0.29 0.11 0.00 3.32 -0.91 -1.52 116.42 117.42 1sfw h ASP 99 Ca -0.02 -0.02 -0.24 0.00 0.02 0.00 0.00 57.03 56.78 1sfw h ASP 99 Cb 0.24 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1sfw h ASP 99 CO 0.03 0.25 -1.20 -0.09 -1.72 0.00 0.00 179.24 176.50 1sfw h ARG 100 N 0.34 0.23 0.00 3.56 1.12 -1.48 0.20 114.38 118.35 1sfw h ARG 100 Ca 0.09 -0.39 0.00 0.00 -1.11 0.00 0.00 59.98 58.57 1sfw h ARG 100 Cb 0.03 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.13 1sfw h ARG 100 CO -0.01 1.19 0.00 -2.95 -3.11 0.00 0.00 179.97 175.08 1sfw h ASN 101 N -0.40 0.00 0.33 -3.80 7.08 -1.26 -0.90 115.58 116.63 1sfw h ASN 101 Ca -0.26 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 52.75 1sfw h ASN 101 Cb 1.67 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.91 1sfw h ASN 101 CO 0.06 0.00 -0.91 0.00 -2.08 0.00 0.00 177.43 174.50 1sfw h ALA 102 N 2.10 0.40 -0.11 4.14 0.00 -1.35 -2.29 119.26 122.15 1sfw h ALA 102 Ca 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 54.91 54.25 1sfw h ALA 102 Cb 0.36 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1sfw h ALA 102 CO 0.00 0.81 0.09 0.00 0.00 0.00 0.00 179.25 180.15 1sfw h ALA 103 N 0.77 1.93 -2.84 0.00 0.00 0.77 0.13 119.26 120.03 1sfw h ALA 103 Ca -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sfw h ALA 103 Cb 1.54 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1sfw h ALA 103 CO 0.16 -0.15 0.00 -0.89 0.00 0.00 0.00 179.25 178.37 1sfw n ILE 104 N -4.22 0.00 -0.27 0.00 -0.00 -0.78 -0.83 119.36 113.25 1sfw n ILE 104 Ca -0.00 0.51 0.22 0.00 -0.00 0.00 0.00 62.75 63.47 1sfw n ILE 104 Cb 0.20 -1.02 0.40 0.00 -0.00 0.00 0.00 39.64 39.23 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 0.00 0.60 -0.70 0.00 0.04 -0.87 -1.81 116.94 114.20 1sfw h PHE 106 Ca 0.64 -0.29 0.08 0.00 2.80 0.00 0.00 57.97 61.20 1sfw h PHE 106 Cb 1.58 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 39.60 1sfw h PHE 106 CO -0.16 1.08 0.46 1.03 -0.60 0.00 0.00 178.31 180.12 1sfw h SER 107 N -0.05 0.56 0.00 2.17 0.87 0.14 -3.45 113.55 113.80 1sfw h SER 107 Ca -0.05 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1sfw h SER 107 Cb 1.18 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1sfw h SER 107 CO 0.10 0.35 0.00 2.29 -0.53 0.00 0.00 176.83 179.04 1sfw n LYS 108 N -4.49 0.00 0.00 2.24 2.85 -0.10 -4.91 118.16 113.75 1sfw n LYS 108 Ca 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 1sfw n LYS 108 Cb 0.30 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.68 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 -2.01 0.00 -2.17 0.58 0.00 -0.69 -3.53 120.51 112.69 1sfw n ALA 109 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 1sfw n ALA 109 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1sfw n ALA 109 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1sfw n PRO 110 N 0.00 3.32 -1.75 0.00 -0.02 -1.26 -5.03 135.00 130.26 1sfw n PRO 110 Ca 0.00 -3.21 -0.36 0.00 -2.02 0.00 0.00 63.50 57.90 1sfw n PRO 110 Cb 0.00 -3.08 0.06 0.00 -0.02 0.00 0.00 33.50 30.46 1sfw n PRO 110 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1sfw s TYR 111 N 1.60 2.15 -0.26 6.00 5.04 -1.23 -4.09 117.35 126.56 1sfw s TYR 111 Ca 0.43 1.51 -0.02 0.00 -2.44 0.00 0.00 57.07 56.56 1sfw s TYR 111 Cb 0.10 -3.60 0.14 0.00 0.35 0.00 0.00 41.96 38.95 1sfw s TYR 111 CO -0.03 -2.68 0.38 -0.80 -1.34 0.00 0.00 175.55 171.09 1sfw s ASN 112 N -1.57 0.32 -0.92 4.32 0.01 -1.26 -4.98 114.94 110.86 1sfw s ASN 112 Ca 0.80 0.07 -0.02 0.00 -0.71 0.00 0.00 52.86 53.00 1sfw s ASN 112 Cb -0.34 1.10 0.34 0.00 0.41 0.00 0.00 41.25 42.76 1sfw s ASN 112 CO 0.39 -0.31 1.95 2.29 -1.51 0.00 0.00 177.10 179.91 1sfw n LYS 113 N 5.36 3.79 0.00 -0.60 -0.00 -1.26 -4.57 118.16 120.88 1sfw n LYS 113 Ca -0.03 -3.96 0.00 0.00 -0.00 0.00 0.00 58.31 54.33 1sfw n LYS 113 Cb 0.50 -2.35 0.00 0.00 -0.00 0.00 0.00 35.03 33.18 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 -0.35 0.00 0.06 -1.58 0.28 -1.26 -4.78 120.64 113.01 1sfw n GLU 114 Ca 0.51 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 57.39 1sfw n GLU 114 Cb 0.24 -0.25 -0.13 0.00 1.43 0.00 0.00 31.44 32.73 1sfw n GLU 114 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 177.13 178.09 1sfw h HIS 115 N 0.00 0.25 0.00 -1.84 2.07 -2.02 -3.50 115.15 110.10 1sfw h HIS 115 Ca 0.00 -0.18 0.00 0.00 -2.85 0.00 0.00 60.37 57.34 1sfw h HIS 115 Cb 0.00 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 29.97 1sfw h HIS 115 CO 0.00 1.17 0.00 1.17 -3.07 0.00 0.00 177.93 177.20 1sfw n LYS 116 N -3.39 0.00 0.00 5.12 4.81 -1.26 -4.10 118.16 119.34 1sfw n LYS 116 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 1sfw n LYS 116 Cb 1.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.05 1sfw n LYS 116 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1sfw n ASN 117 N 0.00 0.00 0.00 3.14 2.85 -0.98 -4.92 115.26 115.35 1sfw n ASN 117 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1sfw n ASN 117 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1sfw n ASN 117 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1sfw n LEU 118 N 0.00 0.00 0.00 1.20 -0.00 -1.26 -4.96 117.00 111.98 1sfw n LEU 118 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1sfw n LEU 118 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1sfw n LEU 118 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 177.39 177.86 1sfw n ASP 119 N 0.00 0.00 -3.06 1.45 8.00 -1.26 -5.12 116.55 116.56 1sfw n ASP 119 Ca 0.00 -0.32 -0.16 0.00 0.71 0.00 0.00 54.79 55.02 1sfw n ASP 119 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1sfw n ASP 119 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1sfw n THR 120 N 0.00 -0.18 0.09 -3.53 -2.24 -1.26 -4.14 114.28 103.02 1sfw n THR 120 Ca 0.00 -3.63 0.00 0.00 -2.27 0.00 0.00 64.05 58.15 1sfw n THR 120 Cb 0.00 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 1sfw n THR 120 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1sfw n LYS 121 N 0.49 0.00 -0.21 -0.78 2.85 -1.26 -4.22 118.16 115.02 1sfw n LYS 121 Ca 0.19 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.39 1sfw n LYS 121 Cb 0.65 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 35.08 1sfw n LYS 121 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 1sfw h LYS 122 N 0.00 0.79 0.18 -1.58 1.57 -1.98 -3.36 116.57 112.19 1sfw h LYS 122 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1sfw h LYS 122 Cb 0.00 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.13 1sfw h LYS 122 CO 0.00 0.52 -0.09 1.88 -0.57 0.00 0.00 179.45 181.19 1sfw h TYR 123 N 0.81 -0.23 -0.01 -1.35 0.05 -1.84 -3.46 116.97 110.95 1sfw h TYR 123 Ca 0.23 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1sfw h TYR 123 Cb -0.08 0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1sfw h TYR 123 CO -0.03 -0.14 0.00 0.00 -1.05 0.00 0.00 178.16 176.93