#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 1.69 -0.22 0.00 -0.00 -1.26 -1.34 117.00 115.86 1sfw n LEU 2 Ca 0.00 0.52 0.21 0.00 -0.00 0.00 0.00 56.01 56.74 1sfw n LEU 2 Cb 0.00 -0.81 0.55 0.00 -0.00 0.00 0.00 43.42 43.16 1sfw n LEU 2 CO 0.00 -0.43 1.23 4.11 -0.00 0.00 0.00 177.39 182.30 1sfw h TRP 3 N -0.91 0.43 0.06 1.96 0.09 -1.95 0.36 115.95 115.98 1sfw h TRP 3 Ca 0.00 0.01 -0.25 0.00 0.09 0.00 0.00 58.89 58.74 1sfw h TRP 3 Cb 0.59 -0.13 -0.02 0.00 0.08 0.00 0.00 29.16 29.68 1sfw h TRP 3 CO -0.25 0.11 -1.23 0.37 0.09 0.00 0.00 178.44 177.54 1sfw h GLN 4 N 0.33 0.12 0.06 0.12 4.15 -1.93 -3.20 115.11 114.77 1sfw h GLN 4 Ca 0.45 -0.21 -0.26 0.00 0.77 0.00 0.00 58.65 59.40 1sfw h GLN 4 Cb 1.24 0.08 0.01 0.00 0.21 0.00 0.00 27.48 29.02 1sfw h GLN 4 CO -0.14 1.04 -1.10 0.27 -1.93 0.00 0.00 178.83 176.96 1sfw h PHE 5 N 0.03 0.77 -1.18 3.99 -0.00 -0.97 -3.36 116.94 116.23 1sfw h PHE 5 Ca -0.11 -0.46 0.35 0.00 -0.00 0.00 0.00 57.97 57.75 1sfw h PHE 5 Cb 1.89 -0.07 -0.11 0.00 -0.00 0.00 0.00 35.95 37.66 1sfw h PHE 5 CO 0.03 1.31 0.76 0.00 -0.00 0.00 0.00 178.31 180.41 1sfw h ARG 6 N 0.24 0.22 -0.09 6.09 -0.00 -1.02 0.51 114.38 120.33 1sfw h ARG 6 Ca -0.13 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.98 59.23 1sfw h ARG 6 Cb 1.77 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 31.67 1sfw h ARG 6 CO 0.20 0.15 -0.43 1.03 0.00 0.00 0.00 179.97 180.91 1sfw h SER 7 N 0.23 0.22 0.44 7.04 0.87 -1.69 -2.40 113.55 118.26 1sfw h SER 7 Ca 0.71 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.17 1sfw h SER 7 Cb 2.05 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.95 1sfw h SER 7 CO -0.36 0.64 -0.83 1.15 -0.53 0.00 0.00 176.83 176.89 1sfw n MET 8 N -4.01 0.17 0.01 2.24 -0.00 -1.11 -3.31 117.12 111.11 1sfw n MET 8 Ca -0.02 0.01 -0.12 0.00 -0.00 0.00 0.00 57.70 57.57 1sfw n MET 8 Cb 0.49 -1.56 -0.09 0.00 -0.00 0.00 0.00 33.22 32.05 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 1.22 0.00 3.17 1.08 -0.59 0.50 117.51 122.89 1sfw h ILE 9 Ca 0.00 -1.20 0.00 0.00 -0.39 0.00 0.00 64.86 63.27 1sfw h ILE 9 Cb 0.64 1.98 0.00 0.00 -3.07 0.00 0.00 36.82 36.36 1sfw h ILE 9 CO 0.00 0.29 0.00 2.29 -0.69 0.00 0.00 178.15 180.04 1sfw n LYS 10 N -4.88 0.11 -0.08 2.37 -0.00 -0.93 -0.96 118.16 113.79 1sfw n LYS 10 Ca -0.08 0.20 -0.22 0.00 -0.00 0.00 0.00 58.31 58.20 1sfw n LYS 10 Cb 0.28 -1.50 -0.12 0.00 -0.00 0.00 0.00 35.03 33.69 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 -0.37 1.84 -2.92 0.00 0.00 -0.33 -3.32 119.26 114.16 1sfw h ALA 12 Ca -0.42 0.28 -0.61 0.00 0.00 0.00 0.00 54.91 54.16 1sfw h ALA 12 Cb 1.57 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 19.66 1sfw h ALA 12 CO -0.15 -0.79 -0.32 0.42 0.00 0.00 0.00 179.25 178.42 1sfw s ILE 13 N -5.69 5.27 0.20 0.00 1.09 -0.14 -4.71 121.20 117.23 1sfw s ILE 13 Ca -0.10 0.57 -0.21 0.00 -1.10 0.00 0.00 60.65 59.82 1sfw s ILE 13 Cb 0.32 -3.62 0.15 0.00 -1.06 0.00 0.00 42.46 38.26 1sfw s ILE 13 CO 0.78 0.47 1.56 -0.65 -0.10 0.00 0.00 174.94 177.01 1sfw h PRO 14 N 5.91 -0.08 -0.72 2.79 0.11 -1.79 -3.42 132.00 134.79 1sfw h PRO 14 Ca -0.46 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.74 1sfw h PRO 14 Cb 1.19 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1sfw h PRO 14 CO 0.69 -0.06 -0.17 0.41 -0.21 0.00 0.00 178.00 178.66 1sfw n GLY 15 N -1.44 -1.91 1.62 -0.55 0.00 -1.26 -4.68 105.19 96.97 1sfw n GLY 15 Ca 0.07 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.57 0.00 -4.67 1.61 2.88 -1.25 -4.95 113.62 104.67 1sfw n SER 16 Ca -0.01 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.13 1sfw n SER 16 Cb 0.14 0.40 -0.05 0.00 -0.75 0.00 0.00 64.21 63.96 1sfw n SER 16 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 1sfw s HIS 17 N -0.95 3.43 -0.02 0.66 0.00 -1.26 -4.78 115.29 112.37 1sfw s HIS 17 Ca 0.00 1.16 -0.21 0.00 -3.00 0.00 0.00 55.06 53.00 1sfw s HIS 17 Cb 0.00 -2.92 -0.14 0.00 -4.00 0.00 0.00 32.58 25.52 1sfw s HIS 17 CO 0.00 -0.17 0.93 -1.00 -1.00 0.00 0.00 174.74 173.50 1sfw h PRO 18 N 7.30 -0.42 0.00 -0.38 0.13 -1.92 -3.39 132.00 133.32 1sfw h PRO 18 Ca -0.32 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1sfw h PRO 18 Cb 1.14 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1sfw h PRO 18 CO 0.81 -0.10 0.00 1.28 -0.23 0.00 0.00 178.00 179.76 1sfw n LEU 19 N -5.09 0.00 0.00 1.56 4.32 -1.26 -4.66 117.00 111.87 1sfw n LEU 19 Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 1sfw n LEU 19 Cb 0.26 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1sfw n LEU 19 CO 0.25 0.00 0.00 0.23 -1.22 0.00 0.00 177.39 176.65 1sfw n MET 20 N 0.00 0.00 0.14 3.23 2.81 -1.26 -2.42 117.12 119.62 1sfw n MET 20 Ca 0.00 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.94 1sfw n MET 20 Cb 0.00 0.00 0.49 0.00 -0.71 0.00 0.00 33.22 33.00 1sfw n MET 20 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1sfw h ASP 21 N 0.00 0.20 0.00 7.83 3.58 -1.85 -3.40 116.42 122.78 1sfw h ASP 21 Ca 0.00 -0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.36 1sfw h ASP 21 Cb 0.00 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 1sfw h ASP 21 CO 0.00 0.23 -1.34 0.49 -2.88 0.00 0.00 179.24 175.74 1sfw n PHE 22 N -4.42 0.00 -0.04 0.28 3.01 -1.02 -4.83 117.46 110.44 1sfw n PHE 22 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1sfw n PHE 22 Cb 0.15 -0.23 0.01 0.00 -0.01 0.00 0.00 39.48 39.40 1sfw n PHE 22 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1sfw n ASN 23 N -2.09 -0.05 -3.96 4.37 5.15 -1.26 -1.96 115.26 115.46 1sfw n ASN 23 Ca -0.07 0.19 -0.31 0.00 -0.60 0.00 0.00 54.58 53.79 1sfw n ASN 23 Cb 0.56 -0.05 -0.15 0.00 -0.53 0.00 0.00 39.78 39.61 1sfw n ASN 23 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1sfw s ASN 24 N -5.03 4.48 -0.35 1.20 -0.87 -1.26 -3.25 114.94 109.86 1sfw s ASN 24 Ca -0.02 -1.86 -0.00 0.00 -1.57 0.00 0.00 52.86 49.42 1sfw s ASN 24 Cb 0.03 -1.42 0.19 0.00 -0.02 0.00 0.00 41.25 40.02 1sfw s ASN 24 CO 0.08 -0.35 0.81 -0.47 -2.57 0.00 0.00 177.10 174.60 1sfw s TYR 25 N 1.12 -1.17 0.00 2.20 6.14 -0.84 -1.48 117.35 123.32 1sfw s TYR 25 Ca 0.06 0.35 0.00 0.00 0.64 0.00 0.00 57.07 58.12 1sfw s TYR 25 Cb -0.19 0.21 0.00 0.00 0.42 0.00 0.00 41.96 42.40 1sfw s TYR 25 CO -0.11 -0.76 0.00 0.41 0.64 0.00 0.00 175.55 175.74 1sfw n GLY 26 N 4.48 2.21 0.96 8.97 0.00 -0.53 -3.99 105.19 117.29 1sfw n GLY 26 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1sfw n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sfw h TYR 28 N 0.00 0.00 -1.97 0.00 0.05 -1.83 -3.34 116.97 109.88 1sfw h TYR 28 Ca 0.00 0.00 -0.53 0.00 0.05 0.00 0.00 58.73 58.25 1sfw h TYR 28 Cb 0.00 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 37.67 1sfw h TYR 28 CO 0.00 0.49 1.18 0.00 -1.05 0.00 0.00 178.16 178.78 1sfw n GLY 30 N 5.80 3.91 3.59 0.00 0.00 -0.83 -2.77 105.19 114.89 1sfw n GLY 30 Ca 0.14 -0.86 -0.48 0.00 0.00 0.00 0.00 46.02 44.82 1sfw n GLY 30 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1sfw n LEU 31 N 0.00 2.96 0.00 0.99 -0.00 -1.20 -4.43 117.00 115.33 1sfw n LEU 31 Ca 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 56.01 56.64 1sfw n LEU 31 Cb 0.00 -1.37 0.00 0.00 -0.00 0.00 0.00 43.42 42.05 1sfw n LEU 31 CO 0.00 -0.42 0.00 0.61 -0.00 0.00 0.00 177.39 177.58 1sfw n GLY 32 N 5.39 1.22 0.00 1.47 0.00 -1.26 -5.03 105.19 106.98 1sfw n GLY 32 Ca 0.30 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 -1.97 3.60 -0.02 0.00 -1.26 -4.65 105.19 100.88 1sfw n GLY 33 Ca 0.00 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.63 -0.52 0.00 1.61 1.04 -1.26 -4.98 113.70 105.96 1sfw s SER 34 Ca 0.00 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.26 1sfw s SER 34 Cb 0.00 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.90 1sfw s SER 34 CO 0.00 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.53 1sfw n GLY 35 N 1.67 0.61 2.93 7.32 0.00 -1.26 -5.04 105.19 111.41 1sfw n GLY 35 Ca -0.13 -0.77 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 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 0.26 0.00 2.61 -4.23 -1.26 -4.99 115.64 108.03 1sfw s THR 36 Ca 0.00 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.30 1sfw s THR 36 Cb 0.00 -0.24 0.00 0.00 1.34 0.00 0.00 72.50 73.60 1sfw s THR 36 CO 0.00 0.02 0.00 -0.81 -0.54 0.00 0.00 174.62 173.29 1sfw n PRO 37 N 2.87 3.50 0.02 3.99 -0.04 -1.26 -4.98 135.00 139.09 1sfw n PRO 37 Ca -0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.32 1sfw n PRO 37 Cb 0.59 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 34.04 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 0.68 -3.27 0.52 0.24 -1.26 -4.97 118.33 110.27 1sfw n VAL 38 Ca 0.00 0.23 -0.22 0.00 -2.04 0.00 0.00 64.34 62.31 1sfw n VAL 38 Cb 0.00 -1.40 -0.00 0.00 -1.47 0.00 0.00 33.84 30.97 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 -5.48 6.01 0.41 -1.34 2.15 -1.26 -4.94 116.67 112.22 1sfw s ASP 39 Ca -0.02 0.19 0.20 0.00 0.43 0.00 0.00 52.55 53.35 1sfw s ASP 39 Cb 0.00 -1.60 1.15 0.00 -0.30 0.00 0.00 42.92 42.17 1sfw s ASP 39 CO 0.03 -0.50 1.78 -0.08 -0.17 0.00 0.00 175.17 176.23 1sfw h GLU 40 N 0.66 0.34 0.23 4.34 4.81 -2.00 -0.60 114.58 122.36 1sfw h GLU 40 Ca -0.47 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1sfw h GLU 40 Cb 1.24 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1sfw h GLU 40 CO 0.57 0.23 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.90 1sfw h LEU 41 N 0.35 -0.26 -0.06 1.64 3.38 -1.94 -3.14 115.31 115.29 1sfw h LEU 41 Ca 0.58 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1sfw h LEU 41 Cb 1.56 0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1sfw h LEU 41 CO -0.26 0.10 0.01 0.47 0.09 0.00 0.00 178.44 178.85 1sfw n ASP 42 N -5.08 0.02 -0.03 -0.43 9.92 -1.02 -1.74 116.55 118.19 1sfw n ASP 42 Ca -0.09 0.50 -0.14 0.00 -0.53 0.00 0.00 54.79 54.53 1sfw n ASP 42 Cb 0.24 -0.50 -0.10 0.00 -0.64 0.00 0.00 41.12 40.12 1sfw n ASP 42 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 1sfw h ARG 43 N 0.00 0.10 0.00 -1.24 2.47 -1.07 0.38 114.38 115.02 1sfw h ARG 43 Ca 0.00 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1sfw h ARG 43 Cb 0.03 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 1sfw h ARG 43 CO 0.00 0.70 0.00 0.00 0.56 0.00 0.00 179.97 181.23 1sfw h GLU 46 N 0.00 0.42 0.00 0.00 4.22 -0.63 -3.01 114.58 115.58 1sfw h GLU 46 Ca -0.53 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 58.89 1sfw h GLU 46 Cb 1.88 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1sfw h GLU 46 CO -0.07 0.28 -0.59 1.15 -2.18 0.00 0.00 179.01 177.60 1sfw h THR 47 N 0.43 0.00 -0.95 0.32 2.02 -1.65 -0.12 112.91 112.97 1sfw h THR 47 Ca 0.22 -0.92 -0.73 0.00 0.77 0.00 0.00 66.41 65.75 1sfw h THR 47 Cb 0.18 1.61 -0.10 0.00 -1.74 0.00 0.00 68.15 68.09 1sfw h THR 47 CO -0.19 0.00 2.57 1.57 0.37 0.00 0.00 175.52 179.84 1sfw n HIS 48 N -2.73 2.78 0.00 3.16 -0.00 -1.13 -0.30 115.22 117.00 1sfw n HIS 48 Ca 0.02 -2.87 0.00 0.00 0.46 0.00 0.00 57.72 55.33 1sfw n HIS 48 Cb 0.53 -2.05 0.00 0.00 -0.12 0.00 0.00 29.99 28.35 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 3.21 0.00 0.06 0.26 8.00 -1.24 -4.78 116.55 122.06 1sfw n ASP 49 Ca 0.56 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 56.02 1sfw n ASP 49 Cb 0.30 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.32 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 0.00 0.22 -2.24 2.35 -0.87 -2.68 115.58 112.36 1sfw h ASN 50 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1sfw h ASN 50 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1sfw h ASN 50 CO 0.00 0.82 -0.33 0.00 -1.65 0.00 0.00 177.43 176.26 1sfw h TYR 52 N 1.24 0.48 -0.84 0.00 3.20 -1.50 -3.30 116.97 116.25 1sfw h TYR 52 Ca 0.00 -0.35 0.21 0.00 3.14 0.00 0.00 58.73 61.73 1sfw h TYR 52 Cb 0.54 -0.02 -0.14 0.00 1.54 0.00 0.00 36.73 38.65 1sfw h TYR 52 CO 0.00 1.39 0.10 0.07 -1.64 0.00 0.00 178.16 178.08 1sfw h ARG 53 N -0.39 0.13 0.00 1.82 -0.00 -1.76 -3.39 114.38 110.80 1sfw h ARG 53 Ca -0.20 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.77 1sfw h ARG 53 Cb 1.65 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 31.59 1sfw h ARG 53 CO 0.10 0.09 0.00 -3.47 -0.00 0.00 0.00 179.97 176.69 1sfw n ASP 54 N -5.31 0.00 -0.34 0.08 2.03 -1.24 -1.02 116.55 110.74 1sfw n ASP 54 Ca 0.18 -0.16 0.25 0.00 0.52 0.00 0.00 54.79 55.58 1sfw n ASP 54 Cb 0.59 -0.11 0.50 0.00 -0.72 0.00 0.00 41.12 41.39 1sfw n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sfw h ALA 55 N 2.60 2.05 -0.65 -1.67 0.00 -1.84 -0.54 119.26 119.20 1sfw h ALA 55 Ca 0.00 0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.23 1sfw h ALA 55 Cb 0.04 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 1sfw h ALA 55 CO 0.00 -0.67 0.07 1.57 0.00 0.00 0.00 179.25 180.22 1sfw h LYS 56 N 0.28 0.17 0.00 0.00 -0.00 -1.30 -2.02 116.57 113.71 1sfw h LYS 56 Ca 0.75 -0.01 -0.14 0.00 -0.00 0.00 0.00 60.65 61.25 1sfw h LYS 56 Cb 1.78 -0.04 -0.02 0.00 -0.00 0.00 0.00 32.23 33.95 1sfw h LYS 56 CO -0.59 0.11 -0.84 -0.97 -0.00 0.00 0.00 179.45 177.16 1sfw h ASN 57 N 0.18 0.00 -0.83 7.07 -1.24 -1.59 -3.14 115.58 116.02 1sfw h ASN 57 Ca 0.35 0.00 -0.62 0.00 0.71 0.00 0.00 56.30 56.74 1sfw h ASN 57 Cb 0.57 0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.68 1sfw h ASN 57 CO -0.51 0.59 -0.15 -0.11 -1.29 0.00 0.00 177.43 175.96 1sfw n LEU 58 N -3.14 -0.43 -0.27 0.34 7.94 -0.26 -4.86 117.00 116.32 1sfw n LEU 58 Ca -0.02 0.96 0.07 0.00 -1.11 0.00 0.00 56.01 55.91 1sfw n LEU 58 Cb 0.79 -0.78 0.30 0.00 0.53 0.00 0.00 43.42 44.27 1sfw n LEU 58 CO 0.42 -1.96 1.23 0.44 -1.11 0.00 0.00 177.39 176.42 1sfw h ASP 59 N 1.83 0.78 0.29 1.96 3.32 -1.89 -3.17 116.42 119.54 1sfw h ASP 59 Ca -0.35 0.02 -0.12 0.00 0.02 0.00 0.00 57.03 56.60 1sfw h ASP 59 Cb 1.19 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 1sfw h ASP 59 CO 0.51 0.47 -1.82 -0.24 -1.72 0.00 0.00 179.24 176.44 1sfw n SER 60 N -4.52 0.31 0.00 6.45 2.88 -1.26 -4.99 113.62 112.49 1sfw n SER 60 Ca 0.14 0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1sfw n SER 60 Cb 0.29 1.16 0.00 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 s LYS 62 N 2.17 2.49 -0.03 0.00 -0.14 -0.77 -4.89 119.74 118.56 1sfw s LYS 62 Ca 0.00 -0.62 -0.02 0.00 -1.36 0.00 0.00 55.97 53.97 1sfw s LYS 62 Cb 0.00 -2.41 -0.01 0.00 -1.68 0.00 0.00 37.83 33.74 1sfw s LYS 62 CO 0.00 -0.83 -0.04 0.27 -0.76 0.00 0.00 175.35 173.99 1sfw h PHE 63 N -0.09 0.00 -5.22 3.18 -0.00 -1.84 -3.32 116.94 109.65 1sfw h PHE 63 Ca -0.43 0.00 -0.37 0.00 -0.00 0.00 0.00 57.97 57.17 1sfw h PHE 63 Cb 1.30 0.00 -0.03 0.00 -0.00 0.00 0.00 35.95 37.22 1sfw h PHE 63 CO 0.37 0.00 -0.17 1.28 -0.00 0.00 0.00 178.31 179.79 1sfw n LEU 64 N -2.82 0.00 -0.67 2.10 4.32 -1.24 -4.38 117.00 114.32 1sfw n LEU 64 Ca -0.02 -1.85 0.00 0.00 -0.02 0.00 0.00 56.01 54.13 1sfw n LEU 64 Cb 0.06 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 1sfw n LEU 64 CO 0.02 -0.48 0.00 1.33 -1.22 0.00 0.00 177.39 177.05 1sfw n VAL 65 N -1.36 -1.34 -3.83 4.08 0.24 -1.26 -4.69 118.33 110.18 1sfw n VAL 65 Ca -0.01 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.00 1sfw n VAL 65 Cb 0.41 -1.98 -0.16 0.00 -1.47 0.00 0.00 33.84 30.64 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 3.71 -0.60 -1.34 -4.77 -1.26 -4.48 116.67 107.92 1sfw s ASP 66 Ca 0.00 -1.29 -0.21 0.00 -3.30 0.00 0.00 52.55 47.75 1sfw s ASP 66 Cb 0.00 -0.96 0.07 0.00 -1.09 0.00 0.00 42.92 40.95 1sfw s ASP 66 CO 0.00 -0.32 0.84 0.54 0.70 0.00 0.00 175.17 176.93 1sfw s ASN 67 N 1.55 6.21 -1.44 2.11 2.20 -1.26 -5.02 114.94 119.28 1sfw s ASN 67 Ca 0.01 -1.01 -0.10 0.00 -0.94 0.00 0.00 52.86 50.82 1sfw s ASN 67 Cb -0.18 -2.37 0.04 0.00 -2.00 0.00 0.00 41.25 36.75 1sfw s ASN 67 CO -0.12 -1.24 2.41 -0.81 -2.94 0.00 0.00 177.10 174.40 1sfw n PRO 68 N 7.06 3.63 -3.08 3.55 -0.04 -1.26 -4.45 135.00 140.41 1sfw n PRO 68 Ca -0.05 -2.85 0.03 0.00 -0.04 0.00 0.00 63.50 60.59 1sfw n PRO 68 Cb 0.45 -2.93 -0.00 0.00 -0.04 0.00 0.00 33.50 30.98 1sfw n PRO 68 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1sfw s TYR 69 N 1.41 -1.07 0.00 0.54 2.02 -1.26 -4.72 117.35 114.26 1sfw s TYR 69 Ca 0.54 0.43 0.00 0.00 -0.37 0.00 0.00 57.07 57.66 1sfw s TYR 69 Cb 0.15 0.19 0.00 0.00 -0.40 0.00 0.00 41.96 41.90 1sfw s TYR 69 CO -0.06 -0.67 0.00 0.25 -1.57 0.00 0.00 175.55 173.50 1sfw n THR 70 N 4.71 0.00 0.40 -0.71 -2.24 -1.26 -4.80 114.28 110.38 1sfw n THR 70 Ca 0.08 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.68 1sfw n THR 70 Cb 0.58 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.98 0.00 -0.78 4.39 -1.91 -3.37 114.58 111.94 1sfw h GLU 71 Ca 0.00 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1sfw h GLU 71 Cb 0.00 0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1sfw h GLU 71 CO 0.00 -0.63 0.00 0.45 -1.16 0.00 0.00 179.01 177.67 1sfw n SER 72 N -5.49 0.00 0.00 1.42 2.88 -1.26 -4.64 113.62 106.53 1sfw n SER 72 Ca -0.14 -0.82 0.00 0.00 -1.33 0.00 0.00 58.87 56.58 1sfw n SER 72 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 -1.14 0.00 -2.68 0.66 4.02 -1.26 -3.96 117.16 112.80 1sfw n TYR 73 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.84 1sfw n TYR 73 Cb 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.38 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 -1.56 0.00 7.72 2.88 -0.71 -4.95 113.62 117.00 1sfw n SER 74 Ca 0.00 -1.86 0.00 0.00 -1.33 0.00 0.00 58.87 55.68 1sfw n SER 74 Cb 0.00 0.87 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 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 1.73 0.00 -2.07 0.66 4.11 -1.20 -3.63 117.16 116.77 1sfw n TYR 75 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.94 1sfw n TYR 75 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 40.03 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 0.00 9.48 2.88 -1.26 -4.95 113.62 119.77 1sfw n SER 76 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1sfw n SER 76 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 -0.33 0.00 7.64 0.27 -4.93 113.62 116.28 1sfw n SER 78 Ca 0.00 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.06 1sfw n SER 78 Cb 0.00 0.00 0.35 0.00 -1.01 0.00 0.00 64.21 63.55 1sfw n SER 78 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1sfw n ASN 79 N 0.00 0.00 0.00 6.43 3.02 -1.26 -4.63 115.26 118.83 1sfw n ASN 79 Ca 0.00 1.63 0.00 0.00 -0.03 0.00 0.00 54.58 56.18 1sfw n ASN 79 Cb 0.00 -0.64 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 1sfw n ASN 79 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1sfw n THR 80 N -5.37 0.00 -3.53 3.41 -2.24 -1.26 -4.95 114.28 100.35 1sfw n THR 80 Ca 0.26 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.68 1sfw n THR 80 Cb 0.87 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 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 -0.49 3.84 0.00 -0.78 2.02 -1.26 -2.25 118.70 119.77 1sfw s GLU 81 Ca 0.00 0.29 0.00 0.00 0.02 0.00 0.00 54.97 55.28 1sfw s GLU 81 Cb 0.00 -3.07 0.00 0.00 0.10 0.00 0.00 34.13 31.16 1sfw s GLU 81 CO 0.00 0.60 0.00 -0.89 0.02 0.00 0.00 175.26 174.99 1sfw n ILE 82 N 1.21 0.00 0.00 -1.63 -0.00 -1.26 -0.56 119.36 117.11 1sfw n ILE 82 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.65 1sfw n ILE 82 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.16 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 -4.74 114.28 115.33 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 n ASN 85 N 0.00 0.20 0.00 0.00 2.04 -1.24 -1.73 115.26 114.53 1sfw n ASN 85 Ca 0.00 -0.94 0.00 0.00 -0.44 0.00 0.00 54.58 53.20 1sfw n ASN 85 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 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 -2.63 0.00 -0.04 0.53 3.41 -1.25 -4.81 113.62 108.83 1sfw n SER 86 Ca 0.00 -1.00 -0.09 0.00 -0.26 0.00 0.00 58.87 57.52 1sfw n SER 86 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1sfw n SER 86 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1sfw n LYS 87 N 0.00 0.20 -3.09 4.33 4.76 -1.26 -5.11 118.16 117.99 1sfw n LYS 87 Ca 0.00 0.09 -0.04 0.00 -2.87 0.00 0.00 58.31 55.49 1sfw n LYS 87 Cb 0.36 -0.85 0.00 0.00 -1.84 0.00 0.00 35.03 32.71 1sfw n LYS 87 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1sfw n ASN 88 N -3.56 -7.59 -4.90 4.39 6.94 -1.26 -5.09 115.26 104.19 1sfw n ASN 88 Ca -0.15 -0.04 -0.32 0.00 -0.02 0.00 0.00 54.58 54.04 1sfw n ASN 88 Cb 0.51 -5.02 -0.05 0.00 -2.36 0.00 0.00 39.78 32.86 1sfw n ASN 88 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1sfw s ASN 89 N -2.92 6.33 0.53 0.53 3.84 -1.26 -4.97 114.94 117.02 1sfw s ASN 89 Ca 0.04 0.30 0.21 0.00 0.21 0.00 0.00 52.86 53.62 1sfw s ASN 89 Cb -0.01 -1.96 1.37 0.00 -0.55 0.00 0.00 41.25 40.10 1sfw s ASN 89 CO 0.77 0.22 2.09 0.00 -2.79 0.00 0.00 177.10 177.38 1sfw h ALA 90 N 3.48 2.18 -0.22 1.71 0.00 -1.94 -1.26 119.26 123.21 1sfw h ALA 90 Ca -0.47 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1sfw h ALA 90 Cb 1.17 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1sfw h ALA 90 CO 0.72 -0.29 -0.13 0.00 0.00 0.00 0.00 179.25 179.55 1sfw h GLU 92 N 0.00 0.00 -0.45 0.00 4.11 -1.70 -3.39 114.58 113.15 1sfw h GLU 92 Ca 0.04 0.00 0.05 0.00 0.07 0.00 0.00 59.36 59.52 1sfw h GLU 92 Cb 0.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 1sfw h GLU 92 CO -0.21 0.00 0.30 0.00 0.07 0.00 0.00 179.01 179.18 1sfw h ALA 93 N -1.70 1.92 -0.39 1.06 0.00 -1.28 0.12 119.26 118.99 1sfw h ALA 93 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1sfw h ALA 93 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1sfw h ALA 93 CO 0.00 0.01 -0.14 0.35 0.00 0.00 0.00 179.25 179.47 1sfw h PHE 94 N 0.40 0.89 -0.35 0.00 3.04 -1.08 -2.36 116.94 117.48 1sfw h PHE 94 Ca 0.19 -0.21 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 1sfw h PHE 94 Cb 0.27 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.56 1sfw h PHE 94 CO -0.00 0.94 -0.20 0.82 -2.02 0.00 0.00 178.31 177.85 1sfw h ILE 95 N 0.59 1.29 -1.01 1.41 5.03 -1.31 -2.95 117.51 120.55 1sfw h ILE 95 Ca 0.09 -1.33 0.25 0.00 -0.12 0.00 0.00 64.86 63.76 1sfw h ILE 95 Cb 0.67 1.39 -0.12 0.00 -3.03 0.00 0.00 36.82 35.73 1sfw h ILE 95 CO 0.05 0.44 0.61 0.00 -0.68 0.00 0.00 178.15 178.56 1sfw h ASN 97 N 0.55 1.03 -0.37 0.00 -1.24 -1.24 -1.15 115.58 113.17 1sfw h ASN 97 Ca 0.64 -0.26 -0.14 0.00 0.71 0.00 0.00 56.30 57.24 1sfw h ASN 97 Cb 1.27 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 40.04 1sfw h ASN 97 CO -0.45 1.05 -0.32 0.00 -1.29 0.00 0.00 177.43 176.43 1sfw h ASP 99 N 0.76 -0.90 -1.00 0.00 3.32 -1.00 -1.81 116.42 115.80 1sfw h ASP 99 Ca 0.08 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.22 1sfw h ASP 99 Cb 0.89 0.28 -0.06 0.00 0.22 0.00 0.00 39.33 40.66 1sfw h ASP 99 CO 0.08 -0.49 0.65 0.03 -1.72 0.00 0.00 179.24 177.79 1sfw h ARG 100 N -0.77 1.23 0.00 3.56 2.47 -1.35 0.15 114.38 119.66 1sfw h ARG 100 Ca -0.06 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1sfw h ARG 100 Cb 0.63 -0.28 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1sfw h ARG 100 CO 0.02 0.81 0.00 -0.97 0.56 0.00 0.00 179.97 180.40 1sfw h ASN 101 N 1.27 0.00 0.95 7.04 -0.73 -1.46 -1.24 115.58 121.40 1sfw h ASN 101 Ca 0.40 0.00 -0.19 0.00 1.87 0.00 0.00 56.30 58.37 1sfw h ASN 101 Cb -0.01 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.56 1sfw h ASN 101 CO -0.12 0.00 -0.92 0.00 -0.37 0.00 0.00 177.43 176.02 1sfw h ALA 102 N 2.03 0.47 -0.17 1.57 0.00 -0.55 -2.08 119.26 120.52 1sfw h ALA 102 Ca 0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 54.91 54.07 1sfw h ALA 102 Cb 0.42 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1sfw h ALA 102 CO 0.00 1.15 0.09 0.00 0.00 0.00 0.00 179.25 180.48 1sfw h ALA 103 N 1.08 1.83 -2.89 0.00 0.00 0.39 -0.08 119.26 119.59 1sfw h ALA 103 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sfw h ALA 103 Cb 1.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1sfw h ALA 103 CO 0.12 0.14 0.00 -0.89 0.00 0.00 0.00 179.25 178.62 1sfw n ILE 104 N -4.48 0.00 -0.29 0.00 -0.00 -0.68 -0.95 119.36 112.95 1sfw n ILE 104 Ca -0.00 0.67 0.23 0.00 -0.00 0.00 0.00 62.75 63.65 1sfw n ILE 104 Cb 0.10 -1.33 0.44 0.00 -0.00 0.00 0.00 39.64 38.84 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 1.00 0.00 0.00 0.04 -1.12 -2.58 116.94 114.28 1sfw h PHE 106 Ca 0.68 -0.57 -0.02 0.00 2.80 0.00 0.00 57.97 60.86 1sfw h PHE 106 Cb 1.70 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 39.74 1sfw h PHE 106 CO -0.15 1.40 -0.09 0.66 -0.60 0.00 0.00 178.31 179.54 1sfw h SER 107 N 0.36 0.00 0.00 2.17 4.64 0.13 -3.46 113.55 117.39 1sfw h SER 107 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1sfw h SER 107 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1sfw h SER 107 CO 0.21 0.09 0.00 2.29 -0.87 0.00 0.00 176.83 178.55 1sfw n LYS 108 N -3.55 0.00 0.00 4.77 2.85 0.00 -4.89 118.16 117.34 1sfw n LYS 108 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 1sfw n LYS 108 Cb 0.21 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.59 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 -0.90 0.58 0.00 -0.98 -2.85 120.51 113.35 1sfw n ALA 109 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 1sfw n ALA 109 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 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 0.00 3.13 -1.40 0.00 -0.04 -1.26 -5.07 135.00 130.37 1sfw n PRO 110 Ca 0.00 -2.79 -0.55 0.00 -0.04 0.00 0.00 63.50 60.13 1sfw n PRO 110 Cb 0.00 -2.12 -0.08 0.00 -0.04 0.00 0.00 33.50 31.26 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 -0.35 1.06 -3.84 0.54 4.19 -1.13 -5.00 117.16 112.63 1sfw n TYR 111 Ca 0.42 0.95 -0.26 0.00 3.31 0.00 0.00 57.90 62.33 1sfw n TYR 111 Cb 1.38 -1.85 -0.17 0.00 0.49 0.00 0.00 39.34 39.19 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 1.38 2.14 -1.05 2.98 -0.87 -1.26 -5.08 114.94 113.18 1sfw s ASN 112 Ca 0.84 -0.33 -0.06 0.00 -1.57 0.00 0.00 52.86 51.73 1sfw s ASN 112 Cb -1.19 -0.68 0.26 0.00 -0.02 0.00 0.00 41.25 39.62 1sfw s ASN 112 CO 0.60 -0.18 1.03 2.29 -2.57 0.00 0.00 177.10 178.28 1sfw n LYS 113 N 5.02 3.31 0.19 -0.60 0.00 -1.26 -4.32 118.16 120.50 1sfw n LYS 113 Ca -0.10 -4.47 0.00 0.00 -0.00 0.00 0.00 58.31 53.74 1sfw n LYS 113 Cb 0.49 -2.51 0.00 0.00 -0.00 0.00 0.00 35.03 33.02 1sfw n LYS 113 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1sfw n GLU 114 N 2.49 0.00 -2.34 -1.58 4.07 -1.26 -4.80 120.64 117.22 1sfw n GLU 114 Ca 0.23 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.91 1sfw n GLU 114 Cb 0.38 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.77 1sfw n GLU 114 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 1sfw n HIS 115 N -3.29 2.77 -3.81 4.31 1.44 -1.26 -4.94 115.22 110.44 1sfw n HIS 115 Ca 0.00 -2.76 -0.20 0.00 -2.01 0.00 0.00 57.72 52.74 1sfw n HIS 115 Cb 0.00 -1.83 -0.02 0.00 0.12 0.00 0.00 29.99 28.26 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 -0.39 3.29 -0.04 -1.40 2.47 -1.26 -1.46 119.74 120.95 1sfw s LYS 116 Ca 0.42 -0.87 0.00 0.00 -1.56 0.00 0.00 55.97 53.96 1sfw s LYS 116 Cb 0.11 -2.84 0.00 0.00 -1.46 0.00 0.00 37.83 33.64 1sfw s LYS 116 CO -0.01 0.30 0.00 -1.71 0.16 0.00 0.00 175.35 174.09 1sfw n ASN 117 N -1.48 -3.46 -0.23 1.43 2.85 -0.55 -4.88 115.26 108.95 1sfw n ASN 117 Ca -0.06 0.01 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1sfw n ASN 117 Cb 0.57 -0.99 0.00 0.00 1.24 0.00 0.00 39.78 40.60 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 -0.04 0.00 0.00 1.20 4.32 -1.26 -5.01 117.00 116.21 1sfw n LEU 118 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1sfw n LEU 118 Cb 0.08 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 1sfw n LEU 118 CO 0.01 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 176.65 1sfw n ASP 119 N 0.00 0.00 -3.03 -1.43 9.92 -1.26 -4.97 116.55 115.78 1sfw n ASP 119 Ca 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.10 1sfw n ASP 119 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1sfw n ASP 119 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1sfw n THR 120 N -0.92 -0.50 0.20 -3.53 -2.24 -1.26 -4.31 114.28 101.72 1sfw n THR 120 Ca 0.00 -2.61 0.00 0.00 -2.27 0.00 0.00 64.05 59.17 1sfw n THR 120 Cb 0.00 -0.38 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 2.10 0.00 -0.01 -0.78 2.85 -1.22 -4.23 118.16 116.87 1sfw n LYS 121 Ca 0.19 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.35 1sfw n LYS 121 Cb 0.55 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.89 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 0.02 0.18 -1.58 1.57 -1.98 -3.32 116.57 111.47 1sfw h LYS 122 Ca 0.00 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1sfw h LYS 122 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1sfw h LYS 122 CO 0.00 0.01 -0.09 1.88 -0.57 0.00 0.00 179.45 180.68 1sfw h TYR 123 N 0.02 -0.23 0.00 -1.35 0.05 -1.83 -3.51 116.97 110.12 1sfw h TYR 123 Ca 0.05 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1sfw h TYR 123 Cb 0.07 0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.89 1sfw h TYR 123 CO -0.15 -0.14 0.00 0.00 -1.05 0.00 0.00 178.16 176.82