#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfg n PHE 3 N 0.00 0.00 0.48 1.61 1.16 -0.95 -1.45 117.46 118.31 1dfg n PHE 3 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.64 1dfg n PHE 3 Cb 0.00 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 37.93 1dfg n PHE 3 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1dfg n LEU 4 N -0.95 2.06 -4.66 5.98 4.77 0.16 -4.50 117.00 119.87 1dfg n LEU 4 Ca 0.12 -1.04 -0.47 0.00 -0.03 0.00 0.00 56.01 54.59 1dfg n LEU 4 Cb 0.06 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1dfg n LEU 4 CO 0.09 0.39 1.17 -1.20 -1.33 0.00 0.00 177.39 176.51 1dfg n SER 5 N 0.69 2.88 0.00 -1.43 7.64 -0.53 -1.95 113.62 120.92 1dfg n SER 5 Ca 0.07 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1dfg n SER 5 Cb 0.31 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.13 1dfg n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dfg n GLY 6 N 3.34 0.73 3.47 0.23 0.00 -1.25 -5.00 105.19 106.71 1dfg n GLY 6 Ca 0.18 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1dfg n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dfg s LYS 7 N -0.77 2.25 -0.26 1.61 -0.14 -0.83 -5.03 119.74 116.58 1dfg s LYS 7 Ca 0.00 -0.86 -0.01 0.00 -1.36 0.00 0.00 55.97 53.74 1dfg s LYS 7 Cb 0.00 -2.27 0.04 0.00 -1.68 0.00 0.00 37.83 33.92 1dfg s LYS 7 CO 0.00 0.57 -0.06 1.03 -0.76 0.00 0.00 175.35 176.13 1dfg s ARG 8 N -1.16 2.67 -0.03 1.68 3.00 -1.26 -0.13 118.95 123.72 1dfg s ARG 8 Ca 0.14 -1.08 0.07 0.00 0.00 0.00 0.00 55.73 54.85 1dfg s ARG 8 Cb -0.11 -2.99 -0.01 0.00 0.00 0.00 0.00 34.95 31.84 1dfg s ARG 8 CO 0.04 -0.46 -0.24 0.42 0.00 0.00 0.00 175.30 175.06 1dfg s ILE 9 N 1.28 1.92 -0.17 1.52 -1.09 0.12 0.42 121.20 125.20 1dfg s ILE 9 Ca -0.02 -1.02 -0.13 0.00 -2.23 0.00 0.00 60.65 57.25 1dfg s ILE 9 Cb -0.18 -1.60 -0.05 0.00 -1.58 0.00 0.00 42.46 39.05 1dfg s ILE 9 CO -0.04 0.54 0.25 -0.22 -1.23 0.00 0.00 174.94 174.23 1dfg s LEU 10 N -0.39 4.24 -0.10 2.97 2.96 0.14 -2.95 118.68 125.55 1dfg s LEU 10 Ca 0.04 0.43 0.03 0.00 -0.22 0.00 0.00 54.13 54.41 1dfg s LEU 10 Cb -0.11 -2.29 -0.01 0.00 0.50 0.00 0.00 46.19 44.28 1dfg s LEU 10 CO 0.01 0.12 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.28 1dfg s VAL 11 N 0.42 2.56 0.21 1.68 1.01 0.18 0.38 120.40 126.84 1dfg s VAL 11 Ca 0.14 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.33 1dfg s VAL 11 Cb -0.12 -2.01 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1dfg s VAL 11 CO 0.02 0.55 0.14 -0.89 0.00 0.00 0.00 175.10 174.93 1dfg s THR 12 N 0.11 4.34 -1.23 3.92 2.01 -0.66 -2.69 115.64 121.44 1dfg s THR 12 Ca -0.09 -1.31 -0.01 0.00 0.31 0.00 0.00 61.69 60.59 1dfg s THR 12 Cb -0.15 -3.28 -0.01 0.00 0.01 0.00 0.00 72.50 69.07 1dfg s THR 12 CO 0.06 -0.23 0.86 0.61 -0.69 0.00 0.00 174.62 175.22 1dfg n GLY 13 N -0.74 -0.41 3.72 4.40 0.00 -1.26 -4.14 105.19 106.76 1dfg n GLY 13 Ca -0.08 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1dfg n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dfg s VAL 14 N -3.50 5.17 0.00 1.61 1.01 -1.26 -4.61 120.40 118.82 1dfg s VAL 14 Ca 0.05 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1dfg s VAL 14 Cb -0.01 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1dfg s VAL 14 CO 0.77 0.32 0.00 0.00 0.00 0.00 0.00 175.10 176.19 1dfg n ALA 15 N 3.66 0.26 -3.82 5.51 0.00 -1.26 -4.87 120.51 119.97 1dfg n ALA 15 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.32 1dfg n ALA 15 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1dfg n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1dfg s SER 16 N -0.18 -0.09 0.04 0.00 1.04 -1.26 -4.97 113.70 108.27 1dfg s SER 16 Ca 0.00 -0.72 0.21 0.00 0.48 0.00 0.00 55.95 55.91 1dfg s SER 16 Cb 0.00 0.64 0.86 0.00 0.10 0.00 0.00 66.02 67.63 1dfg s SER 16 CO 0.00 -1.24 1.66 0.29 0.98 0.00 0.00 173.24 174.93 1dfg n LYS 17 N -0.54 0.04 0.00 4.02 5.02 -1.26 -2.31 118.16 123.12 1dfg n LYS 17 Ca -0.06 0.19 0.09 0.00 -2.02 0.00 0.00 58.31 56.51 1dfg n LYS 17 Cb 0.60 -1.56 -0.08 0.00 -0.02 0.00 0.00 35.03 33.98 1dfg n LYS 17 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1dfg n LEU 18 N -1.62 1.11 -4.77 -0.35 4.32 -1.26 -4.78 117.00 109.66 1dfg n LEU 18 Ca 0.05 -0.57 -0.40 0.00 -0.02 0.00 0.00 56.01 55.07 1dfg n LEU 18 Cb 0.25 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.02 1dfg n LEU 18 CO 0.19 0.25 0.91 -0.44 -1.22 0.00 0.00 177.39 177.08 1dfg s SER 19 N -2.57 6.80 0.38 -1.43 0.01 -0.98 -4.94 113.70 110.98 1dfg s SER 19 Ca 0.09 2.52 0.09 0.00 1.31 0.00 0.00 55.95 59.96 1dfg s SER 19 Cb 0.14 -2.64 0.84 0.00 0.21 0.00 0.00 66.02 64.58 1dfg s SER 19 CO 0.67 -0.50 1.96 0.40 0.41 0.00 0.00 173.24 176.18 1dfg h ILE 20 N 2.86 0.96 -0.51 1.44 2.04 -1.90 0.63 117.51 123.04 1dfg h ILE 20 Ca -0.48 -0.22 -0.06 0.00 1.00 0.00 0.00 64.86 65.10 1dfg h ILE 20 Cb 1.23 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.55 1dfg h ILE 20 CO 0.65 0.12 0.08 0.00 0.00 0.00 0.00 178.15 178.99 1dfg h ALA 21 N 1.64 1.19 -0.13 1.87 0.00 -1.86 -0.05 119.26 121.91 1dfg h ALA 21 Ca 0.31 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1dfg h ALA 21 Cb 0.39 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1dfg h ALA 21 CO -0.11 0.54 0.01 -0.92 0.00 0.00 0.00 179.25 178.78 1dfg h TYR 22 N 0.76 0.02 -0.51 0.00 3.20 -1.13 0.18 116.97 119.49 1dfg h TYR 22 Ca 0.16 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 1dfg h TYR 22 Cb 0.35 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1dfg h TYR 22 CO 0.02 0.00 0.19 0.78 -1.64 0.00 0.00 178.16 177.51 1dfg h GLY 23 N 0.06 0.79 0.89 1.82 0.00 -1.21 0.44 103.07 105.86 1dfg h GLY 23 Ca 0.06 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1dfg h GLY 23 CO -0.09 0.38 -0.17 -2.22 0.00 0.00 0.00 176.54 174.43 1dfg h ILE 24 N 0.73 1.30 0.31 2.60 2.04 -0.47 -2.77 117.51 121.25 1dfg h ILE 24 Ca 0.17 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1dfg h ILE 24 Cb 0.16 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1dfg h ILE 24 CO -0.01 0.41 -0.43 0.00 0.00 0.00 0.00 178.15 178.11 1dfg h ALA 25 N 0.72 -0.88 -0.74 1.87 0.00 -0.09 -0.60 119.26 119.54 1dfg h ALA 25 Ca 0.05 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 55.00 1dfg h ALA 25 Cb 0.70 0.66 -0.14 0.00 0.00 0.00 0.00 17.79 19.01 1dfg h ALA 25 CO 0.05 -1.04 -0.12 0.37 0.00 0.00 0.00 179.25 178.51 1dfg h GLN 26 N -0.79 0.03 -0.21 0.00 4.15 -0.95 0.34 115.11 117.67 1dfg h GLN 26 Ca -0.02 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1dfg h GLN 26 Cb 0.74 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.41 1dfg h GLN 26 CO -0.13 0.02 0.03 0.00 -1.93 0.00 0.00 178.83 176.81 1dfg h ALA 27 N 1.73 0.29 -0.47 3.38 0.00 -1.18 0.56 119.26 123.55 1dfg h ALA 27 Ca 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1dfg h ALA 27 Cb 0.61 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1dfg h ALA 27 CO -0.73 -0.03 0.25 0.52 0.00 0.00 0.00 179.25 179.26 1dfg h MET 28 N 0.15 0.67 -0.11 0.00 2.86 -0.20 -0.24 114.93 118.06 1dfg h MET 28 Ca 0.06 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1dfg h MET 28 Cb 0.33 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1dfg h MET 28 CO 0.01 0.54 0.07 1.25 1.06 0.00 0.00 176.91 179.83 1dfg h HIS 29 N 0.62 0.15 -0.72 -0.22 6.17 -0.20 -1.72 115.15 119.23 1dfg h HIS 29 Ca 0.17 0.00 0.13 0.00 0.71 0.00 0.00 60.37 61.38 1dfg h HIS 29 Cb 0.07 -0.05 -0.05 0.00 2.52 0.00 0.00 27.41 29.90 1dfg h HIS 29 CO -0.02 0.11 0.48 -0.09 0.71 0.00 0.00 177.93 179.12 1dfg h ARG 30 N 0.14 0.42 -0.28 5.26 2.43 -0.46 0.79 114.38 122.69 1dfg h ARG 30 Ca 0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1dfg h ARG 30 Cb -0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 1dfg h ARG 30 CO -0.01 0.28 0.00 0.39 -1.51 0.00 0.00 179.97 179.12 1dfg n GLU 31 N -4.48 1.62 -0.24 0.20 -0.58 -0.14 -4.79 120.64 112.23 1dfg n GLU 31 Ca 0.13 -0.91 0.00 0.00 -0.42 0.00 0.00 57.16 55.96 1dfg n GLU 31 Cb 0.48 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 1dfg n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dfg n GLY 32 N 0.86 0.86 3.84 0.62 0.00 0.27 0.40 105.19 112.05 1dfg n GLY 32 Ca 0.08 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 1dfg n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfg s ALA 33 N -2.00 3.35 -0.17 4.61 0.00 -0.71 -3.68 121.76 123.15 1dfg s ALA 33 Ca 0.00 0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.85 1dfg s ALA 33 Cb 0.00 -2.77 -0.04 0.00 0.00 0.00 0.00 23.12 20.31 1dfg s ALA 33 CO 0.00 0.34 0.42 -1.21 0.00 0.00 0.00 175.76 175.30 1dfg s GLU 34 N -2.77 4.24 0.24 0.00 2.02 0.81 -4.50 118.70 118.73 1dfg s GLU 34 Ca 0.52 0.28 0.09 0.00 0.02 0.00 0.00 54.97 55.88 1dfg s GLU 34 Cb -0.12 -3.49 -0.04 0.00 0.10 0.00 0.00 34.13 30.59 1dfg s GLU 34 CO 0.18 0.06 0.00 -0.51 0.02 0.00 0.00 175.26 175.01 1dfg s LEU 35 N 0.98 3.24 0.02 1.80 1.43 -1.26 -0.70 118.68 124.18 1dfg s LEU 35 Ca 0.21 -0.56 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1dfg s LEU 35 Cb -0.15 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1dfg s LEU 35 CO 0.08 0.03 0.04 0.00 0.23 0.00 0.00 176.35 176.73 1dfg s ALA 36 N -2.11 -0.05 0.09 4.21 0.00 -1.15 -4.67 121.76 118.08 1dfg s ALA 36 Ca 0.30 -0.43 0.04 0.00 0.00 0.00 0.00 51.96 51.86 1dfg s ALA 36 Cb -0.07 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 1dfg s ALA 36 CO 0.19 -0.19 -0.10 -0.06 0.00 0.00 0.00 175.76 175.60 1dfg s PHE 37 N -1.57 1.04 0.16 0.00 0.40 0.12 0.52 117.98 118.64 1dfg s PHE 37 Ca -0.14 -0.66 0.08 0.00 -0.60 0.00 0.00 56.93 55.60 1dfg s PHE 37 Cb -0.08 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.84 1dfg s PHE 37 CO -0.00 -0.01 -0.17 0.95 0.70 0.00 0.00 175.22 176.69 1dfg s THR 38 N -2.45 1.68 0.11 0.64 -4.23 -1.09 -0.34 115.64 109.95 1dfg s THR 38 Ca 0.05 -1.91 0.05 0.00 -1.18 0.00 0.00 61.69 58.70 1dfg s THR 38 Cb -0.03 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 1dfg s THR 38 CO -0.00 -0.39 -0.12 -0.72 -0.54 0.00 0.00 174.62 172.85 1dfg s TYR 39 N -2.22 1.21 0.00 3.99 1.13 0.25 -4.47 117.35 117.24 1dfg s TYR 39 Ca 0.15 -0.61 -0.20 0.00 -1.41 0.00 0.00 57.07 55.00 1dfg s TYR 39 Cb -0.05 -0.65 -0.22 0.00 -1.10 0.00 0.00 41.96 39.95 1dfg s TYR 39 CO 0.06 0.07 1.12 0.37 -2.51 0.00 0.00 175.55 174.65 1dfg h GLN 40 N 3.54 0.39 -3.51 -3.49 4.15 -1.88 0.43 115.11 114.74 1dfg h GLN 40 Ca -0.38 -0.38 -0.05 0.00 0.77 0.00 0.00 58.65 58.60 1dfg h GLN 40 Cb 1.19 0.10 -0.07 0.00 0.21 0.00 0.00 27.48 28.91 1dfg h GLN 40 CO 0.52 1.05 -0.02 0.54 -1.93 0.00 0.00 178.83 178.99 1dfg s ASN 41 N -6.64 -0.01 0.30 -0.69 2.20 -1.26 -4.34 114.94 104.51 1dfg s ASN 41 Ca -0.14 -0.95 0.05 0.00 -0.94 0.00 0.00 52.86 50.89 1dfg s ASN 41 Cb 0.03 0.65 0.77 0.00 -2.00 0.00 0.00 41.25 40.71 1dfg s ASN 41 CO 0.81 -1.25 1.71 0.44 -2.94 0.00 0.00 177.10 175.86 1dfg h ASP 42 N 2.16 0.43 0.00 3.54 3.32 -2.01 -1.01 116.42 122.85 1dfg h ASP 42 Ca -0.25 0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1dfg h ASP 42 Cb 1.25 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1dfg h ASP 42 CO 0.34 0.03 0.04 1.17 -1.72 0.00 0.00 179.24 179.10 1dfg n LYS 43 N -5.00 0.04 0.00 3.56 4.81 -1.26 -1.39 118.16 118.92 1dfg n LYS 43 Ca 0.23 0.51 0.02 0.00 -0.87 0.00 0.00 58.31 58.21 1dfg n LYS 43 Cb 0.68 -1.67 -0.00 0.00 0.02 0.00 0.00 35.03 34.05 1dfg n LYS 43 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1dfg n LEU 44 N -1.68 0.75 -0.16 3.14 4.77 -0.39 -4.79 117.00 118.64 1dfg n LEU 44 Ca -0.00 -0.72 -0.12 0.00 -0.03 0.00 0.00 56.01 55.13 1dfg n LEU 44 Cb 0.05 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 1dfg n LEU 44 CO 0.03 0.16 0.52 0.50 -1.33 0.00 0.00 177.39 177.27 1dfg h LYS 45 N 0.45 -0.32 -0.36 3.23 3.64 -1.17 -2.39 116.57 119.64 1dfg h LYS 45 Ca 0.00 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1dfg h LYS 45 Cb 0.15 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1dfg h LYS 45 CO 0.00 -0.21 0.17 0.78 -2.27 0.00 0.00 179.45 177.92 1dfg h GLY 46 N -0.33 0.56 0.07 5.01 0.00 -1.87 -0.08 103.07 106.43 1dfg h GLY 46 Ca 0.11 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1dfg h GLY 46 CO -0.63 0.26 -0.46 -0.09 0.00 0.00 0.00 176.54 175.62 1dfg h ARG 47 N 0.44 -0.60 -0.85 4.80 9.65 -1.85 0.46 114.38 126.44 1dfg h ARG 47 Ca 0.12 0.04 0.02 0.00 -1.10 0.00 0.00 59.98 59.07 1dfg h ARG 47 Cb 0.12 0.14 -0.05 0.00 -1.39 0.00 0.00 29.97 28.79 1dfg h ARG 47 CO -0.02 -0.40 0.56 0.28 2.80 0.00 0.00 179.97 183.20 1dfg h VAL 48 N -0.62 1.17 -0.80 0.20 2.07 -1.41 0.47 116.25 117.32 1dfg h VAL 48 Ca -0.00 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 1dfg h VAL 48 Cb 0.64 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 1dfg h VAL 48 CO -0.27 0.20 0.48 -0.33 0.02 0.00 0.00 177.57 177.67 1dfg h GLU 49 N 1.10 1.09 -0.05 1.57 5.08 -0.08 -0.66 114.58 122.63 1dfg h GLU 49 Ca 0.33 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1dfg h GLU 49 Cb -0.04 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 28.98 1dfg h GLU 49 CO -0.09 0.77 -0.03 0.93 -1.00 0.00 0.00 179.01 179.59 1dfg h GLU 50 N 1.11 0.11 -0.24 2.33 5.08 0.19 -2.35 114.58 120.82 1dfg h GLU 50 Ca 0.29 -0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 1dfg h GLU 50 Cb -0.04 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 1dfg h GLU 50 CO -0.05 0.52 0.00 0.74 -1.00 0.00 0.00 179.01 179.21 1dfg h PHE 51 N -0.29 -0.01 -0.72 4.33 0.04 -0.86 -0.30 116.94 119.12 1dfg h PHE 51 Ca 0.01 0.02 0.15 0.00 2.80 0.00 0.00 57.97 60.95 1dfg h PHE 51 Cb 0.49 0.04 -0.11 0.00 2.20 0.00 0.00 35.95 38.57 1dfg h PHE 51 CO 0.07 -0.04 0.18 0.00 -0.60 0.00 0.00 178.31 177.93 1dfg h ALA 52 N 1.20 0.93 -0.36 2.45 0.00 -1.12 0.31 119.26 122.67 1dfg h ALA 52 Ca 0.11 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1dfg h ALA 52 Cb 0.14 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 1dfg h ALA 52 CO -0.19 -0.33 0.01 0.00 0.00 0.00 0.00 179.25 178.74 1dfg h ALA 53 N 1.60 0.34 0.00 0.00 0.00 -0.51 0.44 119.26 121.12 1dfg h ALA 53 Ca 0.41 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 1dfg h ALA 53 Cb 0.68 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1dfg h ALA 53 CO -0.50 -0.39 -0.08 1.96 0.00 0.00 0.00 179.25 180.25 1dfg h GLN 54 N 0.11 0.00 -0.64 0.00 4.20 0.32 -0.70 115.11 118.41 1dfg h GLN 54 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1dfg h GLN 54 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1dfg h GLN 54 CO -0.28 0.08 0.00 1.28 -0.67 0.00 0.00 178.83 179.23 1dfg n LEU 55 N -3.85 4.51 -3.55 1.46 4.77 0.13 -4.88 117.00 115.58 1dfg n LEU 55 Ca -0.02 -2.28 -0.21 0.00 -0.03 0.00 0.00 56.01 53.47 1dfg n LEU 55 Cb 0.17 -0.58 0.08 0.00 -2.33 0.00 0.00 43.42 40.76 1dfg n LEU 55 CO 0.30 0.69 0.16 0.61 -1.33 0.00 0.00 177.39 177.81 1dfg n GLY 56 N 0.91 -0.44 3.11 -0.72 0.00 -0.27 -4.81 105.19 102.97 1dfg n GLY 56 Ca 0.23 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 1dfg n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dfg s SER 57 N -3.86 1.11 -0.07 1.61 0.15 0.38 -4.92 113.70 108.10 1dfg s SER 57 Ca 0.29 -0.65 0.10 0.00 0.70 0.00 0.00 55.95 56.39 1dfg s SER 57 Cb -0.13 0.02 0.15 0.00 -1.71 0.00 0.00 66.02 64.35 1dfg s SER 57 CO 0.74 -0.22 1.07 -0.90 1.20 0.00 0.00 173.24 175.13 1dfg n ASP 58 N 1.14 1.23 -4.28 5.45 5.75 -1.26 -3.31 116.55 121.28 1dfg n ASP 58 Ca -0.20 -2.54 -0.44 0.00 -0.01 0.00 0.00 54.79 51.59 1dfg n ASP 58 Cb 0.56 -0.31 -0.05 0.00 -1.03 0.00 0.00 41.12 40.28 1dfg n ASP 58 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1dfg s ILE 59 N -1.49 4.97 -0.19 2.12 1.01 -1.26 -5.00 121.20 121.36 1dfg s ILE 59 Ca 0.16 -1.87 -0.03 0.00 0.00 0.00 0.00 60.65 58.91 1dfg s ILE 59 Cb 0.14 -4.18 0.06 0.00 0.01 0.00 0.00 42.46 38.50 1dfg s ILE 59 CO 0.02 -0.88 0.04 -0.69 0.00 0.00 0.00 174.94 173.43 1dfg s VAL 60 N 1.12 0.43 0.22 2.92 1.01 -1.25 0.12 120.40 124.97 1dfg s VAL 60 Ca 0.08 -0.48 0.11 0.00 0.00 0.00 0.00 61.98 61.69 1dfg s VAL 60 Cb -0.24 -0.95 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1dfg s VAL 60 CO -0.01 -0.21 -0.22 -0.76 0.00 0.00 0.00 175.10 173.90 1dfg s LEU 61 N 1.90 2.49 0.31 3.92 1.43 0.54 -4.97 118.68 124.30 1dfg s LEU 61 Ca -0.00 -0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 52.02 1dfg s LEU 61 Cb -0.17 -1.09 -0.09 0.00 0.03 0.00 0.00 46.19 44.87 1dfg s LEU 61 CO -0.08 0.07 0.72 -1.58 0.23 0.00 0.00 176.35 175.71 1dfg s GLN 62 N -2.98 4.01 -0.30 1.70 0.74 -1.26 0.85 119.66 122.42 1dfg s GLN 62 Ca 0.23 0.65 -0.07 0.00 0.05 0.00 0.00 55.36 56.23 1dfg s GLN 62 Cb -0.07 -2.48 0.17 0.00 1.10 0.00 0.00 33.01 31.73 1dfg s GLN 62 CO 0.11 0.18 0.72 0.00 -0.55 0.00 0.00 175.29 175.75 1dfg s ASP 64 N 2.83 5.10 0.00 0.00 -1.08 -1.26 -4.14 116.67 118.13 1dfg s ASP 64 Ca 0.07 -0.95 0.09 0.00 -0.52 0.00 0.00 52.55 51.24 1dfg s ASP 64 Cb -0.12 -1.84 0.44 0.00 -1.46 0.00 0.00 42.92 39.93 1dfg s ASP 64 CO -0.19 -0.25 1.15 1.33 0.52 0.00 0.00 175.17 177.73 1dfg n VAL 65 N 4.81 0.80 0.17 1.11 0.24 -1.26 -1.86 118.33 122.35 1dfg n VAL 65 Ca -0.14 0.20 0.04 0.00 -2.04 0.00 0.00 64.34 62.40 1dfg n VAL 65 Cb 0.46 -1.06 0.28 0.00 -1.47 0.00 0.00 33.84 32.05 1dfg n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dfg h ALA 66 N 2.41 0.96 -3.18 2.33 0.00 -1.95 -3.43 119.26 116.40 1dfg h ALA 66 Ca 0.00 -0.40 -0.64 0.00 0.00 0.00 0.00 54.91 53.87 1dfg h ALA 66 Cb 0.08 -0.07 -0.23 0.00 0.00 0.00 0.00 17.79 17.57 1dfg h ALA 66 CO 0.00 0.55 -0.68 -1.21 0.00 0.00 0.00 179.25 177.91 1dfg s GLU 67 N -3.56 3.58 0.28 0.00 0.41 -0.77 -5.01 118.70 113.63 1dfg s GLU 67 Ca 0.00 -0.55 -0.02 0.00 -0.41 0.00 0.00 54.97 53.99 1dfg s GLU 67 Cb 0.11 -2.98 0.39 0.00 -1.78 0.00 0.00 34.13 29.87 1dfg s GLU 67 CO 0.71 0.07 1.88 -0.44 -0.49 0.00 0.00 175.26 176.99 1dfg h ASP 68 N 7.27 0.89 -0.48 -0.19 3.32 -1.85 -1.85 116.42 123.53 1dfg h ASP 68 Ca -0.34 -0.10 -0.06 0.00 0.02 0.00 0.00 57.03 56.55 1dfg h ASP 68 Cb 1.18 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.48 1dfg h ASP 68 CO 0.61 0.76 0.08 0.00 -1.72 0.00 0.00 179.24 178.97 1dfg h ALA 69 N 1.38 1.13 -0.57 3.45 0.00 -1.95 0.86 119.26 123.56 1dfg h ALA 69 Ca 0.24 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1dfg h ALA 69 Cb 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1dfg h ALA 69 CO -0.03 0.57 0.37 1.03 0.00 0.00 0.00 179.25 181.20 1dfg h SER 70 N 0.82 0.64 -0.24 0.00 0.87 -1.61 0.60 113.55 114.62 1dfg h SER 70 Ca 0.17 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.66 1dfg h SER 70 Cb 0.37 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.16 1dfg h SER 70 CO 0.01 0.46 -0.06 0.40 -0.53 0.00 0.00 176.83 177.10 1dfg h ILE 71 N 0.76 1.28 -0.87 2.23 2.04 -1.04 -0.53 117.51 121.38 1dfg h ILE 71 Ca 0.21 -1.07 0.08 0.00 1.00 0.00 0.00 64.86 65.08 1dfg h ILE 71 Cb -0.07 1.49 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 1dfg h ILE 71 CO -0.06 0.33 0.53 0.44 0.00 0.00 0.00 178.15 179.40 1dfg h ASP 72 N 0.21 0.80 -0.23 1.72 3.32 -0.40 -2.09 116.42 119.75 1dfg h ASP 72 Ca 0.06 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.98 1dfg h ASP 72 Cb 0.53 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1dfg h ASP 72 CO 0.02 0.48 -0.49 0.74 -1.72 0.00 0.00 179.24 178.27 1dfg h THR 73 N 0.92 1.30 -0.15 0.35 2.02 -0.66 -1.14 112.91 115.56 1dfg h THR 73 Ca 0.40 -1.70 0.03 0.00 0.77 0.00 0.00 66.41 65.91 1dfg h THR 73 Cb 0.28 1.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.45 1dfg h THR 73 CO -0.21 0.54 -0.02 -0.03 0.37 0.00 0.00 175.52 176.17 1dfg h MET 74 N 0.47 0.03 -0.42 6.66 1.85 -0.49 0.75 114.93 123.77 1dfg h MET 74 Ca 0.00 -0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.04 1dfg h MET 74 Cb 1.10 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.10 1dfg h MET 74 CO 0.11 0.02 0.04 0.74 -0.40 0.00 0.00 176.91 177.42 1dfg h PHE 75 N 0.03 0.69 -0.57 1.39 0.04 -1.41 0.30 116.94 117.40 1dfg h PHE 75 Ca 0.07 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.81 1dfg h PHE 75 Cb 0.10 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 1dfg h PHE 75 CO -0.17 0.63 0.33 0.00 -0.60 0.00 0.00 178.31 178.50 1dfg h ALA 76 N 1.42 0.74 -0.13 2.45 0.00 -0.14 0.26 119.26 123.85 1dfg h ALA 76 Ca 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1dfg h ALA 76 Cb 0.33 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1dfg h ALA 76 CO 0.01 0.02 -0.18 0.93 0.00 0.00 0.00 179.25 180.03 1dfg h GLU 77 N 0.64 0.36 -0.94 0.00 4.39 0.01 -3.16 114.58 115.87 1dfg h GLU 77 Ca 0.24 -0.20 0.10 0.00 0.34 0.00 0.00 59.36 59.84 1dfg h GLU 77 Cb 0.08 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 28.68 1dfg h GLU 77 CO -0.13 0.78 0.60 1.25 -1.16 0.00 0.00 179.01 180.35 1dfg h LEU 78 N -0.04 0.86 -0.14 1.33 5.85 -0.06 -0.17 115.31 122.94 1dfg h LEU 78 Ca 0.02 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.76 1dfg h LEU 78 Cb 0.73 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1dfg h LEU 78 CO 0.04 0.49 0.00 0.61 -0.34 0.00 0.00 178.44 179.25 1dfg n GLY 79 N -1.39 -0.96 0.20 3.75 0.00 0.05 -0.33 105.19 106.50 1dfg n GLY 79 Ca 0.16 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1dfg n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dfg h LYS 80 N 0.00 0.00 0.00 1.61 1.57 -1.06 -3.29 116.57 115.40 1dfg h LYS 80 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1dfg h LYS 80 Cb 0.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1dfg h LYS 80 CO 0.00 0.33 -1.47 1.55 -0.57 0.00 0.00 179.45 179.30 1dfg n VAL 81 N -3.48 0.47 -3.80 0.50 3.14 -0.82 -4.86 118.33 109.48 1dfg n VAL 81 Ca -0.00 -0.27 -0.30 0.00 -2.96 0.00 0.00 64.34 60.81 1dfg n VAL 81 Cb 0.49 -0.82 -0.13 0.00 -1.06 0.00 0.00 33.84 32.32 1dfg n VAL 81 CO 0.00 0.00 0.00 0.26 -6.46 0.00 0.00 176.83 170.63 1dfg s TRP 82 N -2.17 2.40 0.18 1.45 0.52 0.55 -4.93 118.94 116.94 1dfg s TRP 82 Ca -0.05 -2.68 0.25 0.00 0.02 0.00 0.00 56.10 53.63 1dfg s TRP 82 Cb 0.02 -2.21 1.00 0.00 -1.15 0.00 0.00 33.47 31.13 1dfg s TRP 82 CO 0.26 -0.77 1.86 -1.35 0.02 0.00 0.00 176.95 176.98 1dfg h PRO 83 N 6.66 0.00 -3.66 4.98 0.10 -1.80 -3.32 132.00 134.96 1dfg h PRO 83 Ca -0.04 0.00 -0.20 0.00 0.10 0.00 0.00 66.00 65.87 1dfg h PRO 83 Cb 0.92 0.00 -0.25 0.00 0.10 0.00 0.00 31.00 31.76 1dfg h PRO 83 CO 0.55 0.21 -0.64 0.15 0.10 0.00 0.00 178.00 178.37 1dfg s LYS 84 N -3.73 0.16 0.00 1.05 1.02 -1.26 -4.67 119.74 112.31 1dfg s LYS 84 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 55.97 55.88 1dfg s LYS 84 Cb 0.11 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1dfg s LYS 84 CO 0.63 -0.03 0.00 1.97 -0.92 0.00 0.00 175.35 177.00 1dfg n PHE 85 N 2.60 -0.26 -1.02 3.18 -1.74 -0.66 -4.99 117.46 114.58 1dfg n PHE 85 Ca -0.16 0.00 0.02 0.00 -0.56 0.00 0.00 57.45 56.76 1dfg n PHE 85 Cb 0.58 0.00 0.03 0.00 1.52 0.00 0.00 39.48 41.61 1dfg n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1dfg n ASP 86 N -1.41 0.99 0.00 5.98 8.00 0.17 -1.45 116.55 128.83 1dfg n ASP 86 Ca 0.00 -1.94 0.00 0.00 0.71 0.00 0.00 54.79 53.56 1dfg n ASP 86 Cb 0.00 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1dfg n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dfg n GLY 87 N -0.43 4.54 3.11 0.44 0.00 -1.24 -2.04 105.19 109.58 1dfg n GLY 87 Ca 0.03 -1.28 -0.24 0.00 0.00 0.00 0.00 46.02 44.53 1dfg n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1dfg s PHE 88 N -1.96 1.49 -0.28 1.61 -0.12 -1.24 0.27 117.98 117.75 1dfg s PHE 88 Ca 0.00 -0.37 -0.13 0.00 -0.05 0.00 0.00 56.93 56.37 1dfg s PHE 88 Cb 0.00 -1.00 -0.04 0.00 -0.63 0.00 0.00 43.02 41.35 1dfg s PHE 88 CO 0.00 -0.11 0.28 0.08 -0.05 0.00 0.00 175.22 175.43 1dfg s VAL 89 N -0.07 5.24 -0.44 -2.49 1.01 0.16 -2.69 120.40 121.12 1dfg s VAL 89 Ca -0.00 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 1dfg s VAL 89 Cb -0.09 -3.63 0.07 0.00 0.00 0.00 0.00 36.38 32.73 1dfg s VAL 89 CO 0.01 0.18 0.31 -2.28 0.00 0.00 0.00 175.10 173.32 1dfg s HIS 90 N 1.92 3.29 -0.54 5.22 2.46 0.15 -1.65 115.29 126.15 1dfg s HIS 90 Ca 0.11 -1.25 0.07 0.00 0.47 0.00 0.00 55.06 54.46 1dfg s HIS 90 Cb -0.16 -3.00 0.33 0.00 -0.13 0.00 0.00 32.58 29.62 1dfg s HIS 90 CO 0.11 -0.81 0.87 0.45 -2.47 0.00 0.00 174.74 172.88 1dfg n SER 91 N 5.04 3.54 -4.14 9.88 2.88 -1.26 -3.01 113.62 126.55 1dfg n SER 91 Ca -0.11 -3.49 -0.16 0.00 -1.33 0.00 0.00 58.87 53.78 1dfg n SER 91 Cb 0.43 -0.59 -0.12 0.00 -0.75 0.00 0.00 64.21 63.19 1dfg n SER 91 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1dfg s ILE 92 N -3.75 0.90 0.00 2.46 1.01 -1.26 -4.22 121.20 116.35 1dfg s ILE 92 Ca 0.46 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.80 1dfg s ILE 92 Cb 0.28 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.76 1dfg s ILE 92 CO -0.11 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.10 1dfg n GLY 93 N 1.19 1.58 3.64 6.18 0.00 -1.26 -4.70 105.19 111.82 1dfg n GLY 93 Ca -0.21 -0.28 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 1dfg n GLY 93 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1dfg s PHE 94 N -1.84 -0.95 0.12 1.61 5.36 -1.26 -4.95 117.98 116.07 1dfg s PHE 94 Ca 0.00 1.95 0.09 0.00 -0.96 0.00 0.00 56.93 58.01 1dfg s PHE 94 Cb 0.00 0.54 -0.04 0.00 -0.34 0.00 0.00 43.02 43.18 1dfg s PHE 94 CO 0.00 -0.47 -0.22 0.00 -1.46 0.00 0.00 175.22 173.07 1dfg s ALA 95 N 1.36 1.97 0.25 11.12 0.00 -1.26 -3.99 121.76 131.22 1dfg s ALA 95 Ca -0.08 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 50.26 1dfg s ALA 95 Cb -0.05 -0.27 -0.10 0.00 0.00 0.00 0.00 23.12 22.70 1dfg s ALA 95 CO -0.16 0.39 1.46 -2.14 0.00 0.00 0.00 175.76 175.32 1dfg s PRO 96 N -2.03 4.25 0.28 0.00 0.02 -1.26 -4.89 135.00 131.37 1dfg s PRO 96 Ca 0.09 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.46 1dfg s PRO 96 Cb -0.10 -3.10 0.68 0.00 0.02 0.00 0.00 34.50 32.00 1dfg s PRO 96 CO 0.05 -0.45 1.67 0.78 -0.33 0.00 0.00 177.00 178.72 1dfg h GLY 97 N 5.02 1.38 -0.19 0.52 0.00 -2.00 0.16 103.07 107.96 1dfg h GLY 97 Ca -0.46 -0.09 0.27 0.00 0.00 0.00 0.00 47.33 47.05 1dfg h GLY 97 CO 0.78 -0.30 0.83 1.29 0.00 0.00 0.00 176.54 179.15 1dfg h ASP 98 N 0.30 0.00 1.00 0.19 2.03 -1.97 0.60 116.42 118.57 1dfg h ASP 98 Ca 0.53 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.73 1dfg h ASP 98 Cb 1.03 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.51 1dfg h ASP 98 CO -0.58 0.00 -0.47 1.56 -1.03 0.00 0.00 179.24 178.72 1dfg h GLN 99 N 0.00 0.00 -0.63 4.15 1.08 -0.97 -3.33 115.11 115.41 1dfg h GLN 99 Ca 0.44 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.64 1dfg h GLN 99 Cb 2.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.54 1dfg h GLN 99 CO -0.00 0.47 0.00 1.28 -0.95 0.00 0.00 178.83 179.63 1dfg n LEU 100 N -3.46 3.79 -3.85 1.46 4.77 0.21 -4.54 117.00 115.37 1dfg n LEU 100 Ca 0.00 -1.91 -0.23 0.00 -0.03 0.00 0.00 56.01 53.84 1dfg n LEU 100 Cb 0.60 -0.51 -0.17 0.00 -2.33 0.00 0.00 43.42 41.01 1dfg n LEU 100 CO 0.39 0.62 -0.41 1.51 -1.33 0.00 0.00 177.39 178.17 1dfg s ASP 101 N -0.77 1.58 0.00 -1.43 1.47 -1.25 -4.24 116.67 112.02 1dfg s ASP 101 Ca 0.39 -0.16 0.00 0.00 1.18 0.00 0.00 52.55 53.95 1dfg s ASP 101 Cb 0.25 -0.56 0.00 0.00 -0.34 0.00 0.00 42.92 42.27 1dfg s ASP 101 CO 0.18 -0.12 0.00 0.61 0.68 0.00 0.00 175.17 176.51 1dfg n GLY 102 N 4.73 -1.47 3.64 2.12 0.00 -1.26 -4.82 105.19 108.12 1dfg n GLY 102 Ca -0.14 -2.07 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 1dfg n GLY 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dfg s ASP 103 N -4.00 6.19 0.12 1.61 -1.08 -1.26 -4.37 116.67 113.89 1dfg s ASP 103 Ca 0.00 2.46 -0.30 0.00 -0.52 0.00 0.00 52.55 54.19 1dfg s ASP 103 Cb 0.00 -2.53 -0.08 0.00 -1.46 0.00 0.00 42.92 38.86 1dfg s ASP 103 CO 0.00 -1.29 1.58 0.22 0.52 0.00 0.00 175.17 176.20 1dfg h TYR 104 N 11.74 -1.27 -0.95 -5.34 3.20 -1.94 0.79 116.97 123.21 1dfg h TYR 104 Ca -0.47 0.05 0.18 0.00 3.14 0.00 0.00 58.73 61.62 1dfg h TYR 104 Cb 1.24 0.56 -0.08 0.00 1.54 0.00 0.00 36.73 39.99 1dfg h TYR 104 CO 0.95 -0.50 0.60 0.28 -1.64 0.00 0.00 178.16 177.85 1dfg h VAL 105 N -0.55 0.74 0.01 1.81 2.07 -1.94 0.37 116.25 118.74 1dfg h VAL 105 Ca 0.05 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1dfg h VAL 105 Cb 0.65 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1dfg h VAL 105 CO -0.36 0.12 -0.00 0.78 0.02 0.00 0.00 177.57 178.12 1dfg h ASN 106 N 0.64 -0.01 -0.72 0.57 2.35 -1.33 -3.33 115.58 113.75 1dfg h ASN 106 Ca 0.51 -0.85 0.09 0.00 -0.55 0.00 0.00 56.30 55.49 1dfg h ASN 106 Cb 0.93 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.23 1dfg h ASN 106 CO -0.26 0.88 0.37 0.00 -1.65 0.00 0.00 177.43 176.77 1dfg h ALA 107 N 0.01 1.00 -2.86 -0.83 0.00 0.12 -3.44 119.26 113.27 1dfg h ALA 107 Ca -0.00 0.05 -0.57 0.00 0.00 0.00 0.00 54.91 54.39 1dfg h ALA 107 Cb 0.86 -0.07 0.16 0.00 0.00 0.00 0.00 17.79 18.75 1dfg h ALA 107 CO 0.00 -0.02 0.16 1.55 0.00 0.00 0.00 179.25 180.95 1dfg n VAL 108 N -4.84 3.85 -3.64 0.00 3.14 0.12 -4.76 118.33 112.21 1dfg n VAL 108 Ca 0.11 -0.50 -0.15 0.00 -2.96 0.00 0.00 64.34 60.84 1dfg n VAL 108 Cb 0.26 -1.18 -0.08 0.00 -1.06 0.00 0.00 33.84 31.79 1dfg n VAL 108 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1dfg s THR 109 N -1.50 0.01 0.28 1.55 -4.23 -1.26 -5.00 115.64 105.49 1dfg s THR 109 Ca 0.77 -0.12 -0.06 0.00 -1.18 0.00 0.00 61.69 61.10 1dfg s THR 109 Cb -0.41 -0.83 0.41 0.00 1.34 0.00 0.00 72.50 73.01 1dfg s THR 109 CO 0.46 -0.06 1.58 -0.09 -0.54 0.00 0.00 174.62 175.96 1dfg h ARG 110 N 4.05 0.01 -0.24 3.99 2.43 -1.99 0.12 114.38 122.76 1dfg h ARG 110 Ca -0.28 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.76 1dfg h ARG 110 Cb 1.16 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1dfg h ARG 110 CO 0.30 0.01 -0.34 1.49 -1.51 0.00 0.00 179.97 179.92 1dfg h GLU 111 N 0.01 0.65 -0.45 0.20 4.57 -1.99 -1.97 114.58 115.60 1dfg h GLU 111 Ca 0.48 -0.38 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 1dfg h GLU 111 Cb 0.81 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.40 1dfg h GLU 111 CO -0.93 0.99 0.21 0.78 -1.18 0.00 0.00 179.01 178.88 1dfg h GLY 112 N 0.35 0.62 0.99 1.92 0.00 -1.27 0.20 103.07 105.89 1dfg h GLY 112 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1dfg h GLY 112 CO 0.08 0.09 0.21 -2.75 0.00 0.00 0.00 176.54 174.17 1dfg h PHE 113 N 0.42 0.43 0.38 5.60 3.04 -0.95 -1.26 116.94 124.61 1dfg h PHE 113 Ca 0.20 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 1dfg h PHE 113 Cb 0.13 -0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 1dfg h PHE 113 CO -0.11 0.29 -0.50 -0.22 -2.02 0.00 0.00 178.31 175.74 1dfg h LYS 114 N 0.44 -0.88 -0.45 1.11 3.11 -0.74 -2.06 116.57 117.11 1dfg h LYS 114 Ca 0.12 0.06 0.04 0.00 -2.81 0.00 0.00 60.65 58.06 1dfg h LYS 114 Cb -0.02 0.20 -0.04 0.00 -1.00 0.00 0.00 32.23 31.37 1dfg h LYS 114 CO -0.02 -0.59 0.21 0.82 -2.81 0.00 0.00 179.45 177.06 1dfg h ILE 115 N -0.91 0.95 -0.38 2.00 2.04 -0.86 -0.25 117.51 120.10 1dfg h ILE 115 Ca -0.05 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.73 1dfg h ILE 115 Cb 0.82 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 1dfg h ILE 115 CO -0.12 0.08 0.04 0.00 0.00 0.00 0.00 178.15 178.14 1dfg h ALA 116 N 1.25 0.38 -0.05 1.87 0.00 -1.01 -0.31 119.26 121.40 1dfg h ALA 116 Ca 0.20 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 1dfg h ALA 116 Cb 0.12 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1dfg h ALA 116 CO -0.15 -0.36 -0.75 0.45 0.00 0.00 0.00 179.25 178.44 1dfg h HIS 117 N 0.15 0.40 0.43 0.00 3.86 -1.22 -0.16 115.15 118.62 1dfg h HIS 117 Ca 0.19 -0.18 -0.02 0.00 -1.16 0.00 0.00 60.37 59.19 1dfg h HIS 117 Cb 0.24 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1dfg h HIS 117 CO -0.23 0.93 -0.21 0.22 0.86 0.00 0.00 177.93 179.50 1dfg h ASP 118 N 0.19 -0.49 -0.22 2.45 3.58 -0.38 -0.27 116.42 121.28 1dfg h ASP 118 Ca -0.03 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.27 1dfg h ASP 118 Cb 1.32 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.49 1dfg h ASP 118 CO 0.12 -0.16 -0.09 0.40 -2.88 0.00 0.00 179.24 176.63 1dfg h ILE 119 N -0.86 1.30 0.00 2.25 1.08 -1.15 -2.28 117.51 117.85 1dfg h ILE 119 Ca -0.06 -1.14 -0.03 0.00 -0.39 0.00 0.00 64.86 63.24 1dfg h ILE 119 Cb 0.56 1.59 -0.00 0.00 -3.07 0.00 0.00 36.82 35.90 1dfg h ILE 119 CO 0.10 0.35 -0.39 0.28 -0.69 0.00 0.00 178.15 177.80 1dfg h SER 120 N 0.16 0.00 0.00 1.72 0.02 -1.10 -3.38 113.55 110.97 1dfg h SER 120 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1dfg h SER 120 Cb 0.58 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.12 1dfg h SER 120 CO 0.03 0.11 -0.06 -0.24 -1.14 0.00 0.00 176.83 175.53 1dfg n SER 121 N -3.01 0.72 -0.28 3.07 2.88 -0.26 -4.80 113.62 111.95 1dfg n SER 121 Ca 0.02 0.10 0.04 0.00 -1.33 0.00 0.00 58.87 57.70 1dfg n SER 121 Cb 0.58 -0.25 0.18 0.00 -0.75 0.00 0.00 64.21 63.98 1dfg n SER 121 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1dfg h TYR 122 N -0.06 0.73 -0.93 0.66 3.20 -0.92 -2.65 116.97 116.99 1dfg h TYR 122 Ca 0.00 0.03 0.28 0.00 3.14 0.00 0.00 58.73 62.18 1dfg h TYR 122 Cb 0.06 -0.21 -0.15 0.00 1.54 0.00 0.00 36.73 37.97 1dfg h TYR 122 CO -0.02 0.23 0.32 0.66 -1.64 0.00 0.00 178.16 177.71 1dfg h SER 123 N 0.65 0.10 -0.53 -2.11 4.64 -1.60 0.14 113.55 114.84 1dfg h SER 123 Ca 0.41 0.21 0.04 0.00 -0.47 0.00 0.00 61.79 61.98 1dfg h SER 123 Cb 0.49 0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.80 1dfg h SER 123 CO -0.31 -0.20 0.29 0.15 -0.87 0.00 0.00 176.83 175.89 1dfg h PHE 124 N 0.19 0.53 0.00 4.77 3.57 -1.76 -1.25 116.94 123.00 1dfg h PHE 124 Ca 0.63 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.94 1dfg h PHE 124 Cb 1.37 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1dfg h PHE 124 CO -0.21 0.28 -0.90 -0.24 -2.23 0.00 0.00 178.31 175.01 1dfg h VAL 125 N 0.56 1.46 -0.45 1.41 3.04 -0.96 -2.89 116.25 118.41 1dfg h VAL 125 Ca 0.23 -2.55 0.09 0.00 -1.01 0.00 0.00 66.70 63.46 1dfg h VAL 125 Cb 0.10 2.44 -0.09 0.00 -2.01 0.00 0.00 31.29 31.73 1dfg h VAL 125 CO -0.14 0.75 -0.18 0.00 -1.01 0.00 0.00 177.57 177.00 1dfg h ALA 126 N 0.88 0.19 -0.61 3.17 0.00 -0.48 0.13 119.26 122.55 1dfg h ALA 126 Ca -0.06 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1dfg h ALA 126 Cb 1.53 0.45 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 1dfg h ALA 126 CO 0.14 -0.52 0.07 0.52 0.00 0.00 0.00 179.25 179.46 1dfg h MET 127 N -0.08 1.01 0.25 0.00 2.07 -1.20 -2.06 114.93 114.92 1dfg h MET 127 Ca 0.22 -0.28 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1dfg h MET 127 Cb 0.41 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 30.01 1dfg h MET 127 CO -0.51 0.95 -0.26 0.00 1.07 0.00 0.00 176.91 178.16 1dfg h ALA 128 N 1.12 -0.54 -1.01 6.32 0.00 -0.88 -1.36 119.26 122.91 1dfg h ALA 128 Ca 0.18 -0.08 0.23 0.00 0.00 0.00 0.00 54.91 55.25 1dfg h ALA 128 Cb 0.46 0.38 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 1dfg h ALA 128 CO 0.02 -0.84 0.62 -0.22 0.00 0.00 0.00 179.25 178.83 1dfg h LYS 129 N -0.55 0.55 0.00 0.00 3.64 -0.71 0.14 116.57 119.64 1dfg h LYS 129 Ca -0.00 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 1dfg h LYS 129 Cb 0.52 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1dfg h LYS 129 CO -0.07 0.37 -0.79 0.00 -2.27 0.00 0.00 179.45 176.69 1dfg h ALA 130 N 1.66 0.54 -0.16 5.00 0.00 -0.53 -3.32 119.26 122.45 1dfg h ALA 130 Ca 0.59 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1dfg h ALA 130 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1dfg h ALA 130 CO -0.37 0.98 0.00 0.00 0.00 0.00 0.00 179.25 179.87 1dfg h ARG 132 N 0.94 0.35 0.00 0.00 2.43 -0.85 0.18 114.38 117.44 1dfg h ARG 132 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1dfg h ARG 132 Cb 0.64 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1dfg h ARG 132 CO 0.01 0.23 0.00 -1.13 -1.51 0.00 0.00 179.97 177.57 1dfg n SER 133 N -5.07 0.32 -0.23 -3.80 3.41 -1.26 -2.97 113.62 104.02 1dfg n SER 133 Ca 0.23 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.50 1dfg n SER 133 Cb 0.68 -0.62 0.40 0.00 -0.26 0.00 0.00 64.21 64.42 1dfg n SER 133 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1dfg n MET 134 N -1.80 0.82 -3.00 4.33 2.81 0.63 -4.92 117.12 115.99 1dfg n MET 134 Ca 0.06 -0.46 -0.40 0.00 -1.81 0.00 0.00 57.70 55.10 1dfg n MET 134 Cb 0.38 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.34 1dfg n MET 134 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1dfg s LEU 135 N -2.50 4.54 0.45 4.03 1.43 -1.11 -1.65 118.68 123.87 1dfg s LEU 135 Ca 0.25 1.54 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 1dfg s LEU 135 Cb 0.19 -3.24 -0.06 0.00 0.03 0.00 0.00 46.19 43.11 1dfg s LEU 135 CO 0.52 0.14 0.83 0.20 0.23 0.00 0.00 176.35 178.27 1dfg s ASN 136 N -0.74 6.48 0.38 2.29 0.01 -0.53 -4.91 114.94 117.93 1dfg s ASN 136 Ca 0.36 1.20 -0.28 0.00 -0.71 0.00 0.00 52.86 53.44 1dfg s ASN 136 Cb -0.22 -2.36 -0.11 0.00 0.41 0.00 0.00 41.25 38.98 1dfg s ASN 136 CO 0.24 -0.50 1.48 -2.65 -1.51 0.00 0.00 177.10 174.17 1dfg n PRO 137 N -1.61 2.64 -0.44 -0.60 -0.02 -1.26 -1.33 135.00 132.39 1dfg n PRO 137 Ca 0.03 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1dfg n PRO 137 Cb 0.54 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1dfg n PRO 137 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dfg n GLY 138 N 0.46 0.75 3.81 -1.23 0.00 0.30 -5.02 105.19 104.26 1dfg n GLY 138 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1dfg n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dfg s SER 139 N -2.45 4.32 -0.09 1.61 0.01 -0.44 -4.90 113.70 111.76 1dfg s SER 139 Ca 0.00 1.20 -0.08 0.00 1.31 0.00 0.00 55.95 58.38 1dfg s SER 139 Cb 0.00 -1.89 0.03 0.00 0.21 0.00 0.00 66.02 64.37 1dfg s SER 139 CO 0.00 -2.07 0.24 0.00 0.41 0.00 0.00 173.24 171.83 1dfg s ALA 140 N -3.21 -0.59 -0.07 1.44 0.00 -0.87 -1.71 121.76 116.76 1dfg s ALA 140 Ca 0.61 0.76 0.01 0.00 0.00 0.00 0.00 51.96 53.34 1dfg s ALA 140 Cb -0.14 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1dfg s ALA 140 CO 0.54 -0.13 -0.09 -0.51 0.00 0.00 0.00 175.76 175.56 1dfg s LEU 141 N 0.40 3.04 0.02 0.00 1.43 0.16 -3.60 118.68 120.13 1dfg s LEU 141 Ca -0.02 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1dfg s LEU 141 Cb -0.04 -1.65 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 1dfg s LEU 141 CO -0.02 0.35 -0.11 -0.22 0.23 0.00 0.00 176.35 176.58 1dfg s LEU 142 N -0.73 2.13 0.21 1.79 2.96 -1.10 -2.13 118.68 121.81 1dfg s LEU 142 Ca 0.11 -0.36 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1dfg s LEU 142 Cb -0.11 -0.49 -0.05 0.00 0.50 0.00 0.00 46.19 46.04 1dfg s LEU 142 CO 0.01 0.03 0.06 0.28 -1.32 0.00 0.00 176.35 175.41 1dfg s THR 143 N -0.69 0.51 -0.13 3.68 -1.32 -1.07 0.35 115.64 116.97 1dfg s THR 143 Ca 0.01 -1.99 0.01 0.00 -1.21 0.00 0.00 61.69 58.51 1dfg s THR 143 Cb -0.07 -2.38 0.02 0.00 -1.51 0.00 0.00 72.50 68.56 1dfg s THR 143 CO 0.01 -0.22 -0.16 -0.76 -2.21 0.00 0.00 174.62 171.28 1dfg s LEU 144 N -3.22 1.77 0.00 9.08 1.02 -1.16 -0.79 118.68 125.38 1dfg s LEU 144 Ca 0.32 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.98 1dfg s LEU 144 Cb 0.07 -1.19 0.00 0.00 0.02 0.00 0.00 46.19 45.09 1dfg s LEU 144 CO 0.09 -0.00 0.00 -0.24 0.02 0.00 0.00 176.35 176.21 1dfg n SER 145 N 4.42 0.98 -3.71 2.29 2.88 0.07 -4.92 113.62 115.63 1dfg n SER 145 Ca -0.18 -0.98 -0.14 0.00 -1.33 0.00 0.00 58.87 56.24 1dfg n SER 145 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 1dfg n SER 145 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1dfg s TYR 146 N 0.06 -0.27 0.64 0.66 5.04 -1.26 -3.10 117.35 119.11 1dfg s TYR 146 Ca 0.00 0.40 0.31 0.00 -2.44 0.00 0.00 57.07 55.34 1dfg s TYR 146 Cb 0.00 0.16 1.71 0.00 0.35 0.00 0.00 41.96 44.19 1dfg s TYR 146 CO 0.00 -0.45 2.01 1.25 -1.34 0.00 0.00 175.55 177.02 1dfg h LEU 147 N 3.59 0.00 -2.48 6.97 5.85 -1.91 -0.93 115.31 126.40 1dfg h LEU 147 Ca -0.29 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.44 1dfg h LEU 147 Cb 1.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1dfg h LEU 147 CO 0.40 0.00 0.16 1.23 -0.34 0.00 0.00 178.44 179.89 1dfg h GLY 148 N 0.00 0.00 1.40 3.75 0.00 -1.95 0.70 103.07 106.98 1dfg h GLY 148 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.31 1dfg h GLY 148 CO -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.49 1dfg h ALA 149 N 1.72 1.11 0.00 3.60 0.00 -1.34 -3.27 119.26 121.08 1dfg h ALA 149 Ca 0.02 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1dfg h ALA 149 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1dfg h ALA 149 CO -0.00 0.56 -1.80 0.39 0.00 0.00 0.00 179.25 178.40 1dfg n GLU 150 N -4.20 0.65 -4.14 0.00 1.02 0.15 -4.54 120.64 109.58 1dfg n GLU 150 Ca 0.02 -0.04 -0.13 0.00 -0.02 0.00 0.00 57.16 56.99 1dfg n GLU 150 Cb 0.32 -1.62 -0.11 0.00 -0.02 0.00 0.00 31.44 30.01 1dfg n GLU 150 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1dfg s ARG 151 N -3.20 0.76 -0.15 3.49 1.81 -0.68 -5.12 118.95 115.86 1dfg s ARG 151 Ca -0.06 -1.08 -0.29 0.00 -1.72 0.00 0.00 55.73 52.57 1dfg s ARG 151 Cb 0.11 -0.41 -0.01 0.00 -0.45 0.00 0.00 34.95 34.19 1dfg s ARG 151 CO 0.86 0.06 1.07 0.00 -0.68 0.00 0.00 175.30 176.61 1dfg s ALA 152 N -2.37 3.55 -0.10 2.13 0.00 -1.26 -4.41 121.76 119.31 1dfg s ALA 152 Ca 0.02 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.35 1dfg s ALA 152 Cb -0.03 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.59 1dfg s ALA 152 CO -0.01 -0.85 -0.13 0.42 0.00 0.00 0.00 175.76 175.19 1dfg s ILE 153 N 2.64 1.34 0.25 0.00 1.01 -1.26 -5.09 121.20 120.08 1dfg s ILE 153 Ca 0.48 -0.55 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 1dfg s ILE 153 Cb -0.18 -1.24 -0.15 0.00 0.01 0.00 0.00 42.46 40.90 1dfg s ILE 153 CO 0.14 0.41 0.86 -2.65 0.00 0.00 0.00 174.94 173.70 1dfg n PRO 154 N 4.20 0.88 0.00 2.79 -0.02 -1.26 -2.20 135.00 139.38 1dfg n PRO 154 Ca -0.19 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 1dfg n PRO 154 Cb 0.51 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1dfg n PRO 154 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1dfg n ASN 155 N 1.54 0.00 0.09 2.55 3.02 -1.26 -4.70 115.26 116.50 1dfg n ASN 155 Ca 0.13 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.64 1dfg n ASN 155 Cb 0.29 -0.43 0.15 0.00 -0.61 0.00 0.00 39.78 39.18 1dfg n ASN 155 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1dfg h TYR 156 N 0.00 0.27 0.00 3.10 3.20 -1.68 -3.38 116.97 118.48 1dfg h TYR 156 Ca 0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1dfg h TYR 156 Cb 0.00 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1dfg h TYR 156 CO 0.00 0.72 0.00 0.09 -1.64 0.00 0.00 178.16 177.33 1dfg n ASN 157 N -3.91 0.00 0.13 -2.11 3.02 -1.25 -1.71 115.26 109.43 1dfg n ASN 157 Ca -0.02 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.66 1dfg n ASN 157 Cb 0.58 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 40.20 1dfg n ASN 157 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1dfg h VAL 158 N 0.00 0.00 -0.31 2.41 3.04 -1.88 0.16 116.25 119.68 1dfg h VAL 158 Ca 0.00 -0.38 0.03 0.00 -1.01 0.00 0.00 66.70 65.33 1dfg h VAL 158 Cb 0.00 1.26 -0.02 0.00 -2.01 0.00 0.00 31.29 30.52 1dfg h VAL 158 CO 0.00 0.00 0.21 -0.03 -1.01 0.00 0.00 177.57 176.74 1dfg h MET 159 N 0.00 0.30 -0.38 4.17 -1.53 -1.70 -0.69 114.93 115.09 1dfg h MET 159 Ca 0.00 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 1dfg h MET 159 Cb 0.56 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.52 1dfg h MET 159 CO 0.00 0.20 0.24 0.78 0.14 0.00 0.00 176.91 178.27 1dfg h GLY 160 N 0.31 0.54 1.01 1.39 0.00 -0.74 0.87 103.07 106.44 1dfg h GLY 160 Ca 0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.20 1dfg h GLY 160 CO -0.03 0.20 0.17 1.41 0.00 0.00 0.00 176.54 178.29 1dfg h LEU 161 N 0.50 0.87 -0.47 3.11 4.07 -1.30 -0.96 115.31 121.12 1dfg h LEU 161 Ca 0.14 -0.22 0.01 0.00 0.08 0.00 0.00 57.88 57.89 1dfg h LEU 161 Cb -0.04 -0.23 -0.03 0.00 1.08 0.00 0.00 40.66 41.45 1dfg h LEU 161 CO -0.03 0.86 0.30 0.00 -1.08 0.00 0.00 178.44 178.49 1dfg h ALA 162 N 1.04 0.60 -0.44 1.53 0.00 -0.53 -1.15 119.26 120.32 1dfg h ALA 162 Ca 0.19 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1dfg h ALA 162 Cb 0.31 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1dfg h ALA 162 CO -0.00 0.01 0.05 0.87 0.00 0.00 0.00 179.25 180.18 1dfg h LYS 163 N 0.60 0.74 -0.65 0.00 1.79 -0.67 0.16 116.57 118.53 1dfg h LYS 163 Ca 0.18 -0.21 0.09 0.00 -2.18 0.00 0.00 60.65 58.53 1dfg h LYS 163 Cb -0.02 -0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 30.48 1dfg h LYS 163 CO -0.07 0.78 0.30 0.00 -1.08 0.00 0.00 179.45 179.39 1dfg h ALA 164 N 0.93 0.88 -0.54 3.86 0.00 -0.86 0.24 119.26 123.78 1dfg h ALA 164 Ca 0.13 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1dfg h ALA 164 Cb 0.41 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1dfg h ALA 164 CO 0.01 -0.09 0.32 1.03 0.00 0.00 0.00 179.25 180.52 1dfg h SER 165 N 0.53 0.65 -0.72 0.00 0.87 -0.59 -1.90 113.55 112.39 1dfg h SER 165 Ca 0.32 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 1dfg h SER 165 Cb 0.33 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 1dfg h SER 165 CO -0.26 0.52 0.47 0.25 -0.53 0.00 0.00 176.83 177.27 1dfg h LEU 166 N 0.73 0.79 -1.39 2.23 5.85 0.67 -1.25 115.31 122.94 1dfg h LEU 166 Ca 0.19 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1dfg h LEU 166 Cb -0.01 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1dfg h LEU 166 CO -0.04 0.56 -0.24 -0.33 -0.34 0.00 0.00 178.44 178.06 1dfg h GLU 167 N 0.94 0.00 -0.02 1.25 5.08 -0.05 -1.51 114.58 120.27 1dfg h GLU 167 Ca 0.27 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.43 1dfg h GLU 167 Cb -0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1dfg h GLU 167 CO -0.08 0.24 -0.87 0.00 -1.00 0.00 0.00 179.01 177.30 1dfg h ALA 168 N 1.76 0.47 -0.44 3.43 0.00 -0.58 -3.15 119.26 120.75 1dfg h ALA 168 Ca -0.00 -0.69 0.02 0.00 0.00 0.00 0.00 54.91 54.24 1dfg h ALA 168 Cb 0.62 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1dfg h ALA 168 CO 0.03 0.83 0.26 -0.97 0.00 0.00 0.00 179.25 179.40 1dfg h ASN 169 N 0.20 0.41 -0.42 0.00 -0.00 -0.32 -1.48 115.58 113.98 1dfg h ASN 169 Ca -0.06 0.01 0.09 0.00 -0.00 0.00 0.00 56.30 56.33 1dfg h ASN 169 Cb 1.49 -0.08 -0.09 0.00 -0.00 0.00 0.00 38.32 39.64 1dfg h ASN 169 CO 0.14 0.30 -0.26 0.58 -0.00 0.00 0.00 177.43 178.20 1dfg h VAL 170 N 0.52 0.32 -0.26 2.57 2.07 -1.27 0.50 116.25 120.70 1dfg h VAL 170 Ca 0.18 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.68 1dfg h VAL 170 Cb 0.02 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1dfg h VAL 170 CO -0.09 0.00 0.09 0.03 0.02 0.00 0.00 177.57 177.63 1dfg h ARG 171 N -0.18 0.39 -0.52 1.57 3.08 -1.51 0.28 114.38 117.49 1dfg h ARG 171 Ca 0.20 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1dfg h ARG 171 Cb 0.49 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 1dfg h ARG 171 CO -0.52 0.44 0.29 1.88 -1.07 0.00 0.00 179.97 180.99 1dfg h TYR 172 N 0.26 0.70 -0.50 3.04 0.05 -0.80 0.61 116.97 120.33 1dfg h TYR 172 Ca 0.09 -0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 1dfg h TYR 172 Cb 0.20 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.69 1dfg h TYR 172 CO -0.00 0.51 0.22 0.52 -1.05 0.00 0.00 178.16 178.36 1dfg h MET 173 N 0.69 0.74 -0.41 4.88 2.86 0.14 -1.47 114.93 122.35 1dfg h MET 173 Ca 0.18 -0.12 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1dfg h MET 173 Cb 0.03 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.52 1dfg h MET 173 CO -0.03 0.63 0.17 0.00 1.06 0.00 0.00 176.91 178.74 1dfg h ALA 174 N 1.07 0.50 0.00 6.32 0.00 0.01 -0.88 119.26 126.28 1dfg h ALA 174 Ca 0.17 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1dfg h ALA 174 Cb 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dfg h ALA 174 CO -0.02 -0.21 -0.12 -0.97 0.00 0.00 0.00 179.25 177.93 1dfg h ASN 175 N 0.35 0.00 0.15 0.00 -0.00 -0.59 -1.96 115.58 113.53 1dfg h ASN 175 Ca 0.19 0.00 -0.36 0.00 -0.00 0.00 0.00 56.30 56.13 1dfg h ASN 175 Cb 0.14 0.00 -0.03 0.00 -0.00 0.00 0.00 38.32 38.43 1dfg h ASN 175 CO -0.16 0.12 -2.04 0.00 -0.00 0.00 0.00 177.43 175.35 1dfg n ALA 176 N -2.20 1.05 1.06 1.57 0.00 -0.57 -4.31 120.51 117.11 1dfg n ALA 176 Ca -0.01 -0.70 0.11 0.00 0.00 0.00 0.00 53.44 52.85 1dfg n ALA 176 Cb 0.32 -0.61 0.08 0.00 0.00 0.00 0.00 19.45 19.24 1dfg n ALA 176 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1dfg n MET 177 N -3.38 0.94 0.03 0.00 2.81 -0.44 -4.44 117.12 112.63 1dfg n MET 177 Ca -0.32 -0.73 -0.15 0.00 -1.81 0.00 0.00 57.70 54.69 1dfg n MET 177 Cb 1.04 -1.48 -0.10 0.00 -0.71 0.00 0.00 33.22 31.97 1dfg n MET 177 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1dfg h GLY 178 N 4.89 -1.12 1.62 3.03 0.00 -1.37 -2.14 103.07 107.97 1dfg h GLY 178 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 47.33 48.00 1dfg h GLY 178 CO 0.00 -0.22 0.18 -2.55 0.00 0.00 0.00 176.54 173.94 1dfg h PRO 179 N -0.63 0.00 -0.73 4.80 0.11 -1.85 0.02 132.00 133.72 1dfg h PRO 179 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1dfg h PRO 179 Cb 0.70 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.81 1dfg h PRO 179 CO -0.39 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 176.55 1dfg n GLU 180 N -2.71 2.82 -0.48 1.05 0.28 -0.84 -4.96 120.64 115.81 1dfg n GLU 180 Ca -0.02 -2.69 0.00 0.00 -0.16 0.00 0.00 57.16 54.29 1dfg n GLU 180 Cb 0.22 -1.59 0.00 0.00 1.43 0.00 0.00 31.44 31.50 1dfg n GLU 180 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1dfg n GLY 181 N 1.61 0.90 3.24 -1.84 0.00 -0.01 -4.63 105.19 104.45 1dfg n GLY 181 Ca 0.25 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.55 1dfg n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dfg s VAL 182 N -2.00 2.03 0.04 1.61 1.01 -1.01 0.11 120.40 122.19 1dfg s VAL 182 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.99 1dfg s VAL 182 Cb 0.00 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1dfg s VAL 182 CO 0.00 0.56 -0.02 -0.13 0.00 0.00 0.00 175.10 175.51 1dfg s ARG 183 N 0.08 2.62 -0.03 2.72 0.52 -0.69 -3.43 118.95 120.75 1dfg s ARG 183 Ca -0.11 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.37 1dfg s ARG 183 Cb -0.16 -2.57 0.03 0.00 0.52 0.00 0.00 34.95 32.77 1dfg s ARG 183 CO 0.06 0.58 -0.00 0.08 0.02 0.00 0.00 175.30 176.04 1dfg s VAL 184 N -1.17 0.18 0.26 3.52 1.01 -1.26 0.36 120.40 123.30 1dfg s VAL 184 Ca 0.22 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 62.17 1dfg s VAL 184 Cb -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.99 1dfg s VAL 184 CO 0.13 0.14 0.45 0.20 0.00 0.00 0.00 175.10 176.02 1dfg s ASN 185 N 0.96 0.06 0.05 3.32 0.01 -0.90 0.99 114.94 119.43 1dfg s ASN 185 Ca -0.10 -1.06 0.01 0.00 -0.71 0.00 0.00 52.86 51.01 1dfg s ASN 185 Cb -0.13 0.58 -0.03 0.00 0.41 0.00 0.00 41.25 42.08 1dfg s ASN 185 CO -0.02 -1.14 -0.06 0.00 -1.51 0.00 0.00 177.10 174.37 1dfg s ALA 186 N -3.87 0.56 -0.17 0.60 0.00 0.91 -2.59 121.76 117.20 1dfg s ALA 186 Ca 0.25 -0.88 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 1dfg s ALA 186 Cb 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1dfg s ALA 186 CO 0.11 -0.12 -0.09 0.42 0.00 0.00 0.00 175.76 176.08 1dfg s ILE 187 N -2.05 3.22 -0.59 0.00 1.01 0.03 -1.07 121.20 121.76 1dfg s ILE 187 Ca -0.05 -0.58 -0.16 0.00 0.00 0.00 0.00 60.65 59.86 1dfg s ILE 187 Cb -0.06 -2.40 0.14 0.00 0.01 0.00 0.00 42.46 40.15 1dfg s ILE 187 CO -0.02 0.49 0.55 -0.55 0.00 0.00 0.00 174.94 175.41 1dfg s SER 188 N 0.80 6.28 0.43 3.58 0.15 0.11 -0.75 113.70 124.29 1dfg s SER 188 Ca -0.03 -1.91 -0.15 0.00 0.70 0.00 0.00 55.95 54.56 1dfg s SER 188 Cb -0.15 -2.22 -0.08 0.00 -1.71 0.00 0.00 66.02 61.86 1dfg s SER 188 CO 0.01 -0.83 0.87 0.00 1.20 0.00 0.00 173.24 174.49 1dfg s ALA 189 N 1.45 3.20 0.91 5.45 0.00 -1.18 -0.35 121.76 131.24 1dfg s ALA 189 Ca 0.06 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 1dfg s ALA 189 Cb -0.27 -2.93 0.19 0.00 0.00 0.00 0.00 23.12 20.12 1dfg s ALA 189 CO 0.01 -0.01 1.25 0.20 0.00 0.00 0.00 175.76 177.21 1dfg s GLY 190 N -2.82 1.79 0.13 0.00 0.00 -0.88 -4.49 107.32 101.06 1dfg s GLY 190 Ca 0.56 -1.45 -0.31 0.00 0.00 0.00 0.00 44.72 43.52 1dfg s GLY 190 CO 0.26 -0.70 1.33 2.56 0.00 0.00 0.00 173.10 176.55 1dfg s PRO 191 N -5.71 4.37 -0.27 2.90 0.04 -1.26 -4.92 135.00 130.15 1dfg s PRO 191 Ca 0.73 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 63.68 1dfg s PRO 191 Cb -0.03 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 1dfg s PRO 191 CO 0.51 -0.34 0.17 0.42 0.04 0.00 0.00 177.00 177.81 1dfg s ILE 192 N 0.76 5.19 -0.01 0.56 1.01 -1.26 -4.33 121.20 123.12 1dfg s ILE 192 Ca 0.61 0.13 -0.30 0.00 0.00 0.00 0.00 60.65 61.09 1dfg s ILE 192 Cb -0.35 -3.47 -0.08 0.00 0.01 0.00 0.00 42.46 38.57 1dfg s ILE 192 CO 0.33 0.26 2.01 -0.60 0.00 0.00 0.00 174.94 176.94 1dfg s ARG 193 N 1.72 3.96 0.30 2.79 3.52 -1.26 -4.97 118.95 125.01 1dfg s ARG 193 Ca 0.07 2.50 0.03 0.00 -0.13 0.00 0.00 55.73 58.20 1dfg s ARG 193 Cb -0.16 -4.20 -0.05 0.00 -1.56 0.00 0.00 34.95 28.99 1dfg s ARG 193 CO 0.10 -1.16 0.11 0.95 -0.81 0.00 0.00 175.30 174.49 1dfg s THR 194 N 5.16 0.61 -0.23 4.11 -4.23 -1.26 -5.05 115.64 114.74 1dfg s THR 194 Ca 0.90 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 1dfg s THR 194 Cb -0.41 -2.59 -0.19 0.00 1.34 0.00 0.00 72.50 70.65 1dfg s THR 194 CO 0.40 0.00 -0.11 0.18 -0.54 0.00 0.00 174.62 174.55 1dfg n LEU 195 N -0.60 2.51 0.00 4.79 7.99 -1.26 -4.96 117.00 125.47 1dfg n LEU 195 Ca -0.01 -0.08 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 1dfg n LEU 195 Cb 0.66 -0.72 0.00 0.00 -0.11 0.00 0.00 43.42 43.24 1dfg n LEU 195 CO 0.37 0.86 0.00 0.00 -1.51 0.00 0.00 177.39 177.12 1dfg n ALA 196 N -3.15 0.00 -2.62 -1.18 0.00 -1.26 -5.00 120.51 107.30 1dfg n ALA 196 Ca -0.42 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.76 1dfg n ALA 196 Cb 1.02 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.31 1dfg n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dfg s ALA 197 N -2.41 1.51 -0.01 0.00 0.00 -1.26 -5.14 121.76 114.45 1dfg s ALA 197 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 1dfg s ALA 197 Cb 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1dfg s ALA 197 CO 0.00 0.34 0.21 0.45 0.00 0.00 0.00 175.76 176.76 1dfg s SER 198 N -0.27 6.42 0.49 0.00 0.15 -1.26 -4.96 113.70 114.26 1dfg s SER 198 Ca 0.03 0.43 0.33 0.00 0.70 0.00 0.00 55.95 57.45 1dfg s SER 198 Cb -0.08 -2.04 1.63 0.00 -1.71 0.00 0.00 66.02 63.82 1dfg s SER 198 CO 0.00 0.27 2.00 1.23 1.20 0.00 0.00 173.24 177.95 1dfg h GLY 199 N 3.98 0.00 -4.91 9.45 0.00 -2.02 -3.41 103.07 106.16 1dfg h GLY 199 Ca -0.50 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.27 1dfg h GLY 199 CO 0.67 0.00 0.34 -0.42 0.00 0.00 0.00 176.54 177.13 1dfg s ILE 200 N -3.75 4.90 0.38 2.60 1.01 -1.26 -4.88 121.20 120.21 1dfg s ILE 200 Ca -0.01 1.77 -0.27 0.00 0.00 0.00 0.00 60.65 62.14 1dfg s ILE 200 Cb 0.10 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 38.28 1dfg s ILE 200 CO 0.39 0.12 1.28 -0.75 0.00 0.00 0.00 174.94 175.98 1dfg s LYS 201 N 1.47 4.09 -1.03 2.79 2.20 -1.26 -3.58 119.74 124.41 1dfg s LYS 201 Ca 0.44 2.12 -0.09 0.00 -0.36 0.00 0.00 55.97 58.08 1dfg s LYS 201 Cb -0.18 -2.83 0.08 0.00 -1.51 0.00 0.00 37.83 33.39 1dfg s LYS 201 CO 0.19 -0.38 0.33 -0.25 -0.36 0.00 0.00 175.35 174.88 1dfg n ASP 202 N 0.30 -2.56 -0.36 1.43 9.92 -1.26 -4.85 116.55 119.17 1dfg n ASP 202 Ca 0.03 -0.27 -0.01 0.00 -0.53 0.00 0.00 54.79 54.01 1dfg n ASP 202 Cb 0.44 -2.20 0.12 0.00 -0.64 0.00 0.00 41.12 38.84 1dfg n ASP 202 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1dfg h PHE 203 N -0.59 1.19 -0.58 1.24 3.57 -1.94 -2.57 116.94 117.26 1dfg h PHE 203 Ca -0.33 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.31 1dfg h PHE 203 Cb 1.22 -0.40 -0.11 0.00 2.79 0.00 0.00 35.95 39.46 1dfg h PHE 203 CO 0.75 0.70 -0.10 0.00 -2.23 0.00 0.00 178.31 177.43 1dfg h ARG 204 N 1.24 0.03 -0.53 1.11 -0.00 -1.89 0.20 114.38 114.54 1dfg h ARG 204 Ca 0.38 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.85 1dfg h ARG 204 Cb -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 29.97 29.90 1dfg h ARG 204 CO -0.11 0.02 0.32 1.57 0.00 0.00 0.00 179.97 181.77 1dfg h LYS 205 N 0.04 0.72 -0.66 0.04 5.09 -1.86 0.43 116.57 120.37 1dfg h LYS 205 Ca 0.29 -0.07 0.14 0.00 0.09 0.00 0.00 60.65 61.10 1dfg h LYS 205 Cb 0.45 -0.15 -0.11 0.00 0.10 0.00 0.00 32.23 32.52 1dfg h LYS 205 CO -0.56 0.52 -0.00 1.98 -2.09 0.00 0.00 179.45 179.30 1dfg h MET 206 N 0.71 0.11 0.53 0.07 -1.53 -0.51 0.50 114.93 114.82 1dfg h MET 206 Ca 0.19 -0.01 -0.02 0.00 -3.44 0.00 0.00 59.70 56.42 1dfg h MET 206 Cb -0.01 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.01 1dfg h MET 206 CO -0.04 0.07 -0.36 -0.07 0.14 0.00 0.00 176.91 176.66 1dfg h LEU 207 N 0.11 -0.91 -0.48 3.39 -0.00 0.54 -1.16 115.31 116.80 1dfg h LEU 207 Ca 0.35 0.06 0.09 0.00 -0.00 0.00 0.00 57.88 58.38 1dfg h LEU 207 Cb 0.58 0.28 -0.08 0.00 -0.00 0.00 0.00 40.66 41.44 1dfg h LEU 207 CO -0.57 -0.55 0.03 0.00 -0.00 0.00 0.00 178.44 177.35 1dfg h ALA 208 N -0.48 0.47 0.37 1.53 0.00 -0.06 -2.50 119.26 118.58 1dfg h ALA 208 Ca -0.06 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1dfg h ALA 208 Cb 0.71 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1dfg h ALA 208 CO 0.04 -0.37 -0.18 1.25 0.00 0.00 0.00 179.25 180.00 1dfg h HIS 209 N 0.14 -0.45 -0.68 0.00 -0.00 -0.79 -3.21 115.15 110.16 1dfg h HIS 209 Ca 0.24 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.69 1dfg h HIS 209 Cb 0.35 0.15 -0.11 0.00 -0.00 0.00 0.00 27.41 27.80 1dfg h HIS 209 CO -0.28 -0.27 -0.46 0.00 -0.00 0.00 0.00 177.93 176.92 1dfg h GLU 211 N -0.18 0.75 -0.42 0.00 5.08 -1.53 0.74 114.58 119.02 1dfg h GLU 211 Ca 0.19 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1dfg h GLU 211 Cb 0.55 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1dfg h GLU 211 CO -0.75 0.49 0.20 0.00 -1.00 0.00 0.00 179.01 177.95 1dfg h ALA 212 N 1.57 0.54 -0.02 3.43 0.00 -1.28 -3.26 119.26 120.24 1dfg h ALA 212 Ca 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1dfg h ALA 212 Cb 0.66 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1dfg h ALA 212 CO -0.33 0.10 -0.35 1.33 0.00 0.00 0.00 179.25 179.99 1dfg n VAL 213 N -4.68 0.00 -2.46 0.00 0.24 -0.73 -4.92 118.33 105.78 1dfg n VAL 213 Ca 0.00 -0.32 -0.41 0.00 -2.04 0.00 0.00 64.34 61.56 1dfg n VAL 213 Cb 0.11 1.29 -0.03 0.00 -1.47 0.00 0.00 33.84 33.73 1dfg n VAL 213 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1dfg s THR 214 N -2.24 3.93 0.29 3.34 2.01 0.25 -4.88 115.64 118.35 1dfg s THR 214 Ca 0.19 1.52 0.04 0.00 0.31 0.00 0.00 61.69 63.75 1dfg s THR 214 Cb 0.17 -3.97 0.28 0.00 0.01 0.00 0.00 72.50 68.99 1dfg s THR 214 CO 0.48 0.19 1.74 -0.65 -0.69 0.00 0.00 174.62 175.69 1dfg h PRO 215 N 5.91 0.58 -0.00 4.92 0.11 -1.80 1.20 132.00 142.93 1dfg h PRO 215 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1dfg h PRO 215 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1dfg h PRO 215 CO 0.76 0.39 -0.01 0.44 -0.21 0.00 0.00 178.00 179.37 1dfg n ILE 216 N -4.89 0.00 -2.86 4.15 -5.35 -1.09 -4.92 119.36 104.40 1dfg n ILE 216 Ca 0.22 -0.02 -0.18 0.00 -0.27 0.00 0.00 62.75 62.49 1dfg n ILE 216 Cb 0.58 -0.39 0.03 0.00 -1.74 0.00 0.00 39.64 38.12 1dfg n ILE 216 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1dfg n ARG 217 N -0.98 -3.93 -3.65 6.28 5.12 0.41 -4.98 116.66 114.93 1dfg n ARG 217 Ca 0.20 0.75 -0.05 0.00 -1.93 0.00 0.00 57.85 56.82 1dfg n ARG 217 Cb 0.18 -5.26 -0.02 0.00 -1.16 0.00 0.00 32.46 26.20 1dfg n ARG 217 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1dfg s ARG 218 N -5.46 1.00 0.38 5.56 1.70 -1.25 -4.84 118.95 116.04 1dfg s ARG 218 Ca 0.24 -0.49 -0.08 0.00 -0.47 0.00 0.00 55.73 54.93 1dfg s ARG 218 Cb -0.11 0.38 -0.06 0.00 -0.57 0.00 0.00 34.95 34.60 1dfg s ARG 218 CO 0.30 -0.45 0.70 0.95 -1.08 0.00 0.00 175.30 175.72 1dfg s THR 219 N -3.17 4.88 0.64 4.99 -4.23 -1.26 -4.70 115.64 112.79 1dfg s THR 219 Ca 0.10 0.37 -0.11 0.00 -1.18 0.00 0.00 61.69 60.87 1dfg s THR 219 Cb -0.01 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.05 1dfg s THR 219 CO -0.02 -0.51 1.04 0.68 -0.54 0.00 0.00 174.62 175.27 1dfg s VAL 220 N -2.34 4.46 0.31 2.29 -7.23 -1.26 -4.97 120.40 111.66 1dfg s VAL 220 Ca 0.48 0.80 0.09 0.00 -1.81 0.00 0.00 61.98 61.54 1dfg s VAL 220 Cb -0.10 -3.76 -0.04 0.00 0.56 0.00 0.00 36.38 33.03 1dfg s VAL 220 CO 0.33 -1.04 0.10 0.42 -0.31 0.00 0.00 175.10 174.60 1dfg s THR 221 N -3.19 3.28 0.20 5.32 -4.23 -1.26 -4.36 115.64 111.39 1dfg s THR 221 Ca 0.56 -1.74 0.35 0.00 -1.18 0.00 0.00 61.69 59.68 1dfg s THR 221 Cb -0.11 -2.97 0.38 0.00 1.34 0.00 0.00 72.50 71.13 1dfg s THR 221 CO 0.54 -0.26 2.06 0.16 -0.54 0.00 0.00 174.62 176.58 1dfg h ILE 222 N 1.65 0.00 0.25 2.99 3.07 -1.95 0.14 117.51 123.66 1dfg h ILE 222 Ca -0.44 -0.24 -0.01 0.00 1.55 0.00 0.00 64.86 65.71 1dfg h ILE 222 Cb 1.25 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 38.95 1dfg h ILE 222 CO 0.62 0.00 -0.12 -0.33 -1.05 0.00 0.00 178.15 177.27 1dfg h GLU 223 N 0.00 -0.32 -0.52 0.16 3.07 -1.93 0.95 114.58 115.99 1dfg h GLU 223 Ca 0.00 0.02 0.07 0.00 -0.50 0.00 0.00 59.36 58.95 1dfg h GLU 223 Cb 0.26 0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.18 1dfg h GLU 223 CO 0.00 -0.02 0.20 -0.44 -1.40 0.00 0.00 179.01 177.34 1dfg h ASP 224 N -0.63 0.21 -0.50 1.42 3.32 -1.34 -1.34 116.42 117.57 1dfg h ASP 224 Ca -0.03 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.97 1dfg h ASP 224 Cb 0.45 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1dfg h ASP 224 CO 0.06 0.15 -0.10 0.58 -1.72 0.00 0.00 179.24 178.20 1dfg h VAL 225 N 0.38 1.27 -0.19 -1.35 2.07 -0.66 -2.95 116.25 114.82 1dfg h VAL 225 Ca 0.25 -1.24 0.05 0.00 0.82 0.00 0.00 66.70 66.58 1dfg h VAL 225 Cb 0.26 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1dfg h VAL 225 CO -0.24 0.43 -0.19 1.23 0.02 0.00 0.00 177.57 178.82 1dfg h GLY 226 N 0.80 -0.10 0.51 2.17 0.00 0.16 -1.16 103.07 105.45 1dfg h GLY 226 Ca 0.13 0.24 0.05 0.00 0.00 0.00 0.00 47.33 47.75 1dfg h GLY 226 CO 0.05 -0.18 -0.06 3.43 0.00 0.00 0.00 176.54 179.78 1dfg h ASN 227 N -0.21 -0.23 -0.90 0.19 2.35 -1.20 0.27 115.58 115.84 1dfg h ASN 227 Ca 0.12 0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1dfg h ASN 227 Cb 0.39 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 1dfg h ASN 227 CO -0.32 -0.08 0.55 0.28 -1.65 0.00 0.00 177.43 176.21 1dfg h SER 228 N 0.00 1.09 0.66 5.81 0.02 -1.41 -1.90 113.55 117.82 1dfg h SER 228 Ca 0.12 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1dfg h SER 228 Cb 0.18 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.44 1dfg h SER 228 CO -0.25 0.83 -0.40 0.00 -1.14 0.00 0.00 176.83 175.87 1dfg h ALA 229 N 1.35 -1.03 -0.52 3.77 0.00 -0.06 -1.38 119.26 121.39 1dfg h ALA 229 Ca 0.33 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 55.14 1dfg h ALA 229 Cb -0.05 0.49 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1dfg h ALA 229 CO -0.06 -1.09 -0.19 0.00 0.00 0.00 0.00 179.25 177.91 1dfg h ALA 230 N -0.75 0.24 -0.45 0.00 0.00 -0.25 -1.75 119.26 116.30 1dfg h ALA 230 Ca -0.08 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1dfg h ALA 230 Cb 0.81 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 1dfg h ALA 230 CO 0.09 -0.50 0.15 0.35 0.00 0.00 0.00 179.25 179.33 1dfg h PHE 231 N -0.06 0.26 0.00 0.00 3.57 -1.23 -2.24 116.94 117.23 1dfg h PHE 231 Ca 0.25 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.77 1dfg h PHE 231 Cb 0.45 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.14 1dfg h PHE 231 CO -0.49 0.08 0.00 -0.07 -2.23 0.00 0.00 178.31 175.61 1dfg h LEU 232 N 0.31 0.00 -1.90 0.59 3.38 -0.39 -2.12 115.31 115.18 1dfg h LEU 232 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1dfg h LEU 232 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1dfg h LEU 232 CO -0.23 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.30 1dfg s SER 234 N -1.65 5.90 0.22 0.00 1.04 -0.80 -4.71 113.70 113.70 1dfg s SER 234 Ca 0.26 -0.22 0.23 0.00 0.48 0.00 0.00 55.95 56.70 1dfg s SER 234 Cb 0.18 -1.12 0.93 0.00 0.10 0.00 0.00 66.02 66.10 1dfg s SER 234 CO 0.26 -0.51 1.70 0.47 0.98 0.00 0.00 173.24 176.14 1dfg n ASP 235 N -1.70 0.60 0.27 7.02 8.00 -1.26 -1.89 116.55 127.59 1dfg n ASP 235 Ca 0.02 0.63 0.12 0.00 0.71 0.00 0.00 54.79 56.27 1dfg n ASP 235 Cb 0.58 -0.77 0.76 0.00 -0.02 0.00 0.00 41.12 41.67 1dfg n ASP 235 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1dfg h LEU 236 N 0.00 0.00 -3.42 0.64 3.38 -1.88 -2.76 115.31 111.28 1dfg h LEU 236 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 1dfg h LEU 236 Cb 0.40 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.06 1dfg h LEU 236 CO 0.00 0.08 0.18 -1.54 0.09 0.00 0.00 178.44 177.25 1dfg n SER 237 N -3.90 4.71 -0.37 -0.43 3.41 -0.79 -4.69 113.62 111.56 1dfg n SER 237 Ca -0.02 -3.01 0.31 0.00 -0.26 0.00 0.00 58.87 55.89 1dfg n SER 237 Cb 0.17 -0.71 0.63 0.00 -0.26 0.00 0.00 64.21 64.04 1dfg n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dfg h ALA 238 N 2.94 2.70 -0.01 7.33 0.00 -1.65 0.19 119.26 130.75 1dfg h ALA 238 Ca 0.18 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1dfg h ALA 238 Cb 2.08 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.96 1dfg h ALA 238 CO 0.61 -1.15 -0.01 0.41 0.00 0.00 0.00 179.25 179.11 1dfg n GLY 239 N -1.59 -0.29 3.39 0.00 0.00 -1.26 -4.83 105.19 100.60 1dfg n GLY 239 Ca 0.29 -0.38 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1dfg n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dfg s ILE 240 N -2.03 4.04 -0.11 -0.61 1.01 0.66 -5.07 121.20 119.07 1dfg s ILE 240 Ca 0.40 -0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.47 1dfg s ILE 240 Cb 0.21 -2.94 0.04 0.00 0.01 0.00 0.00 42.46 39.78 1dfg s ILE 240 CO 0.35 0.27 0.44 -0.55 0.00 0.00 0.00 174.94 175.45 1dfg s SER 241 N 1.55 -0.42 -0.31 3.58 0.15 -1.26 -4.74 113.70 112.26 1dfg s SER 241 Ca 0.05 0.67 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1dfg s SER 241 Cb -0.16 0.72 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 1dfg s SER 241 CO 0.02 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.78 1dfg n GLY 242 N 2.19 0.59 3.81 9.45 0.00 0.28 -4.96 105.19 116.54 1dfg n GLY 242 Ca -0.16 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 1dfg n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dfg s GLU 243 N -2.32 3.26 -0.49 1.61 2.56 -1.25 -4.65 118.70 117.41 1dfg s GLU 243 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 54.97 54.63 1dfg s GLU 243 Cb 0.00 -3.03 0.13 0.00 2.00 0.00 0.00 34.13 33.23 1dfg s GLU 243 CO 0.00 0.74 0.36 0.08 -0.56 0.00 0.00 175.26 175.88 1dfg s VAL 244 N -1.01 4.20 -0.20 3.70 1.01 -1.26 -0.06 120.40 126.78 1dfg s VAL 244 Ca 0.16 -1.91 -0.21 0.00 0.00 0.00 0.00 61.98 60.02 1dfg s VAL 244 Cb -0.12 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1dfg s VAL 244 CO 0.05 -0.79 0.65 -0.69 0.00 0.00 0.00 175.10 174.32 1dfg s VAL 245 N 1.21 5.01 -0.11 2.92 1.01 -0.23 -4.84 120.40 125.37 1dfg s VAL 245 Ca 0.07 1.23 -0.26 0.00 0.00 0.00 0.00 61.98 63.02 1dfg s VAL 245 Cb -0.25 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 1dfg s VAL 245 CO -0.01 0.10 0.83 -1.00 0.00 0.00 0.00 175.10 175.02 1dfg s HIS 246 N 1.94 3.51 -0.57 5.22 3.76 -1.26 0.06 115.29 127.95 1dfg s HIS 246 Ca 0.30 1.36 0.06 0.00 -0.15 0.00 0.00 55.06 56.62 1dfg s HIS 246 Cb -0.16 -2.98 0.24 0.00 1.11 0.00 0.00 32.58 30.78 1dfg s HIS 246 CO 0.10 -0.10 0.64 0.28 -0.85 0.00 0.00 174.74 174.81 1dfg n VAL 247 N 4.30 1.32 -2.19 -0.90 0.31 0.52 -4.81 118.33 116.88 1dfg n VAL 247 Ca 0.03 -4.78 0.03 0.00 -0.01 0.00 0.00 64.34 59.61 1dfg n VAL 247 Cb 0.50 -2.05 0.04 0.00 -0.91 0.00 0.00 33.84 31.41 1dfg n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1dfg n ASP 248 N 1.20 0.82 -1.89 4.52 5.75 -1.26 -2.07 116.55 123.63 1dfg n ASP 248 Ca 0.27 -2.23 -0.18 0.00 -0.01 0.00 0.00 54.79 52.64 1dfg n ASP 248 Cb 0.44 -0.30 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 1dfg n ASP 248 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dfg n GLY 249 N 0.10 0.23 1.82 6.12 0.00 -1.26 -2.35 105.19 109.86 1dfg n GLY 249 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1dfg n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dfg n GLY 250 N -0.94 0.78 0.48 -0.02 0.00 -1.26 -2.68 105.19 101.55 1dfg n GLY 250 Ca -0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 1dfg n GLY 250 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1dfg h PHE 251 N 0.00 -1.53 -0.13 1.61 3.57 -1.81 -1.64 116.94 117.01 1dfg h PHE 251 Ca 0.00 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1dfg h PHE 251 Cb 0.00 0.65 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1dfg h PHE 251 CO 0.00 -0.60 0.49 0.66 -2.23 0.00 0.00 178.31 176.62 1dfg h SER 252 N -0.77 0.00 0.88 0.41 4.64 -1.94 -2.81 113.55 113.96 1dfg h SER 252 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1dfg h SER 252 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1dfg h SER 252 CO -0.28 0.00 -1.03 2.30 -0.87 0.00 0.00 176.83 176.95 1dfg n ILE 253 N -3.03 0.52 -3.55 0.95 -6.64 -0.62 -4.92 119.36 102.08 1dfg n ILE 253 Ca 0.01 -0.50 -0.28 0.00 -1.77 0.00 0.00 62.75 60.22 1dfg n ILE 253 Cb 0.57 -0.26 -0.03 0.00 -1.44 0.00 0.00 39.64 38.48 1dfg n ILE 253 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1dfg s ALA 254 N -3.34 3.74 0.01 -1.28 0.00 -1.06 -5.11 121.76 114.72 1dfg s ALA 254 Ca -0.00 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.26 1dfg s ALA 254 Cb 0.11 -2.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 1dfg s ALA 254 CO 0.79 0.35 -0.06 0.00 0.00 0.00 0.00 175.76 176.85 1dfg s ALA 255 N -1.96 0.44 -1.80 0.00 0.00 -1.26 -4.85 121.76 112.34 1dfg s ALA 255 Ca 0.41 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.94 1dfg s ALA 255 Cb -0.11 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1dfg s ALA 255 CO 0.29 0.04 0.00 -1.33 0.00 0.00 0.00 175.76 174.76 1dfg n MET 256 N 2.35 -1.62 0.00 0.00 2.81 -1.26 -4.78 117.12 114.62 1dfg n MET 256 Ca -0.17 1.01 0.03 0.00 -1.81 0.00 0.00 57.70 56.76 1dfg n MET 256 Cb 0.57 -5.51 0.19 0.00 -0.71 0.00 0.00 33.22 27.75 1dfg n MET 256 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1dfg n ASN 257 N -1.56 0.00 0.00 7.83 5.03 -1.26 -5.21 115.26 120.08 1dfg n ASN 257 Ca -0.21 -0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.17 1dfg n ASN 257 Cb 0.64 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 39.31 1dfg n ASN 257 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81