#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 -0.04 1.61 1.16 -1.15 -2.35 117.46 116.70 1dfg n PHE 3 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1dfg n PHE 3 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 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 -0.65 0.95 -4.67 5.98 4.77 0.41 -4.49 117.00 119.29 1dfg n LEU 4 Ca 0.05 -0.96 -0.50 0.00 -0.03 0.00 0.00 56.01 54.57 1dfg n LEU 4 Cb 0.02 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 1dfg n LEU 4 CO 0.03 0.24 1.30 -1.20 -1.33 0.00 0.00 177.39 176.43 1dfg n SER 5 N -0.01 2.91 0.00 -1.43 7.64 -0.85 -0.55 113.62 121.33 1dfg n SER 5 Ca 0.00 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.92 1dfg n SER 5 Cb 0.01 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 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 3.85 0.16 3.78 0.23 0.00 -1.25 -4.97 105.19 106.99 1dfg n GLY 6 Ca 0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.95 3.98 -0.43 1.61 -0.14 0.29 -4.95 119.74 119.14 1dfg s LYS 7 Ca 0.00 -0.01 -0.08 0.00 -1.36 0.00 0.00 55.97 54.52 1dfg s LYS 7 Cb 0.00 -3.34 0.10 0.00 -1.68 0.00 0.00 37.83 32.91 1dfg s LYS 7 CO 0.00 0.45 0.28 1.03 -0.76 0.00 0.00 175.35 176.35 1dfg s ARG 8 N -0.14 2.44 0.06 1.68 0.52 -1.26 0.12 118.95 122.36 1dfg s ARG 8 Ca 0.15 -1.64 0.02 0.00 -0.52 0.00 0.00 55.73 53.74 1dfg s ARG 8 Cb -0.13 -3.78 -0.04 0.00 0.52 0.00 0.00 34.95 31.52 1dfg s ARG 8 CO 0.03 -1.06 0.07 0.42 0.02 0.00 0.00 175.30 174.78 1dfg s ILE 9 N 1.34 4.52 -0.22 1.52 -1.09 0.13 -1.41 121.20 126.00 1dfg s ILE 9 Ca 0.05 -0.69 -0.06 0.00 -2.23 0.00 0.00 60.65 57.72 1dfg s ILE 9 Cb -0.24 -3.14 -0.03 0.00 -1.58 0.00 0.00 42.46 37.47 1dfg s ILE 9 CO -0.00 0.19 0.03 -0.22 -1.23 0.00 0.00 174.94 173.71 1dfg s LEU 10 N -2.18 3.38 -0.09 2.97 2.96 -0.97 -0.68 118.68 124.07 1dfg s LEU 10 Ca 0.27 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.02 1dfg s LEU 10 Cb -0.12 -1.88 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 1dfg s LEU 10 CO 0.19 0.04 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.45 1dfg s VAL 11 N 1.18 3.22 0.49 1.68 1.01 0.29 -1.80 120.40 126.47 1dfg s VAL 11 Ca 0.04 -0.64 0.05 0.00 0.00 0.00 0.00 61.98 61.43 1dfg s VAL 11 Cb -0.14 -2.31 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 1dfg s VAL 11 CO 0.02 0.56 0.23 0.42 0.00 0.00 0.00 175.10 176.34 1dfg s THR 12 N -0.29 1.78 -1.46 3.92 -4.23 -1.03 -2.41 115.64 111.93 1dfg s THR 12 Ca 0.03 -1.67 -0.10 0.00 -1.18 0.00 0.00 61.69 58.77 1dfg s THR 12 Cb -0.13 -2.45 0.04 0.00 1.34 0.00 0.00 72.50 71.30 1dfg s THR 12 CO 0.03 0.00 0.88 0.61 -0.54 0.00 0.00 174.62 175.60 1dfg n GLY 13 N -1.47 -0.52 3.70 3.99 0.00 -1.26 -4.30 105.19 105.34 1dfg n GLY 13 Ca -0.05 0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.22 5.01 0.00 1.61 1.01 -1.26 -4.61 120.40 118.94 1dfg s VAL 14 Ca 0.52 1.47 0.00 0.00 0.00 0.00 0.00 61.98 63.97 1dfg s VAL 14 Cb -0.25 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1dfg s VAL 14 CO 0.64 0.20 0.00 0.00 0.00 0.00 0.00 175.10 175.94 1dfg n ALA 15 N 4.13 0.54 -3.75 5.51 0.00 -1.26 -4.89 120.51 120.79 1dfg n ALA 15 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1dfg n ALA 15 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.52 -0.12 0.08 0.00 1.04 -1.26 -4.96 113.70 107.96 1dfg s SER 16 Ca 0.00 -0.38 0.09 0.00 0.48 0.00 0.00 55.95 56.14 1dfg s SER 16 Cb 0.00 0.41 0.43 0.00 0.10 0.00 0.00 66.02 66.95 1dfg s SER 16 CO 0.00 -0.76 1.27 0.29 0.98 0.00 0.00 173.24 175.02 1dfg n LYS 17 N -0.52 0.04 0.03 4.02 5.02 -1.26 -0.93 118.16 124.57 1dfg n LYS 17 Ca -0.06 0.47 0.11 0.00 -2.02 0.00 0.00 58.31 56.82 1dfg n LYS 17 Cb 0.61 -1.62 0.02 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.71 0.60 -4.66 -0.35 4.77 -1.26 -4.80 117.00 109.59 1dfg n LEU 18 Ca 0.01 0.02 -0.46 0.00 -0.03 0.00 0.00 56.01 55.55 1dfg n LEU 18 Cb 0.06 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1dfg n LEU 18 CO 0.06 0.02 1.13 -1.20 -1.33 0.00 0.00 177.39 176.06 1dfg n SER 19 N -2.05 2.91 -0.22 -1.43 7.64 -0.10 -4.89 113.62 115.49 1dfg n SER 19 Ca 0.01 1.10 0.01 0.00 1.01 0.00 0.00 58.87 61.00 1dfg n SER 19 Cb 0.45 -1.41 0.09 0.00 -1.01 0.00 0.00 64.21 62.33 1dfg n SER 19 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1dfg h ILE 20 N 3.45 0.41 -0.05 0.44 2.04 -1.88 0.98 117.51 122.91 1dfg h ILE 20 Ca -0.45 -0.02 0.01 0.00 1.00 0.00 0.00 64.86 65.40 1dfg h ILE 20 Cb 1.26 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1dfg h ILE 20 CO 0.85 0.01 0.07 0.00 0.00 0.00 0.00 178.15 179.08 1dfg h ALA 21 N 1.62 1.46 0.16 1.87 0.00 -1.85 -0.31 119.26 122.21 1dfg h ALA 21 Ca 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1dfg h ALA 21 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1dfg h ALA 21 CO -0.60 -0.09 -0.08 -0.92 0.00 0.00 0.00 179.25 177.55 1dfg h TYR 22 N 0.00 -0.20 -0.72 0.00 3.20 -1.07 -0.38 116.97 117.79 1dfg h TYR 22 Ca 0.02 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.00 1dfg h TYR 22 Cb 0.16 0.07 -0.08 0.00 1.54 0.00 0.00 36.73 38.42 1dfg h TYR 22 CO 0.00 0.14 0.34 0.78 -1.64 0.00 0.00 178.16 177.78 1dfg h GLY 23 N -0.58 1.09 0.91 1.82 0.00 -0.97 0.22 103.07 105.56 1dfg h GLY 23 Ca -0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1dfg h GLY 23 CO 0.04 0.01 0.07 -2.22 0.00 0.00 0.00 176.54 174.43 1dfg h ILE 24 N 0.55 1.13 -0.36 2.60 2.04 -1.09 -2.20 117.51 120.18 1dfg h ILE 24 Ca 0.37 -0.37 0.07 0.00 1.00 0.00 0.00 64.86 65.94 1dfg h ILE 24 Cb 0.46 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.56 1dfg h ILE 24 CO -0.31 0.12 -0.09 0.00 0.00 0.00 0.00 178.15 177.86 1dfg h ALA 25 N 0.94 0.23 0.20 1.87 0.00 -0.37 0.10 119.26 122.22 1dfg h ALA 25 Ca 0.05 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1dfg h ALA 25 Cb 0.12 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1dfg h ALA 25 CO -0.01 -0.46 -0.22 1.96 0.00 0.00 0.00 179.25 180.53 1dfg h GLN 26 N -0.01 -0.44 -0.55 0.00 4.20 -0.93 -1.67 115.11 115.72 1dfg h GLN 26 Ca 0.17 0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.95 1dfg h GLN 26 Cb 0.27 0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 1dfg h GLN 26 CO -0.37 -0.29 0.30 0.00 -0.67 0.00 0.00 178.83 177.80 1dfg h ALA 27 N 0.27 0.71 -0.10 3.87 0.00 -0.80 -0.82 119.26 122.40 1dfg h ALA 27 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1dfg h ALA 27 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1dfg h ALA 27 CO -0.06 -0.02 -0.15 0.52 0.00 0.00 0.00 179.25 179.54 1dfg h MET 28 N 0.59 0.15 -0.08 0.00 2.86 -0.68 -1.78 114.93 115.99 1dfg h MET 28 Ca 0.24 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.66 1dfg h MET 28 Cb 0.11 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.76 1dfg h MET 28 CO -0.14 0.31 -0.66 1.25 1.06 0.00 0.00 176.91 178.73 1dfg h HIS 29 N 0.15 0.81 0.00 -0.22 6.17 -0.75 -0.36 115.15 120.95 1dfg h HIS 29 Ca 0.03 -0.39 -0.01 0.00 0.71 0.00 0.00 60.37 60.71 1dfg h HIS 29 Cb 0.36 -0.11 -0.00 0.00 2.52 0.00 0.00 27.41 30.17 1dfg h HIS 29 CO 0.00 1.19 -0.07 -0.09 0.71 0.00 0.00 177.93 179.68 1dfg h ARG 30 N 0.20 0.00 -0.62 5.26 2.43 -0.78 -1.22 114.38 119.65 1dfg h ARG 30 Ca -0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1dfg h ARG 30 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 1dfg h ARG 30 CO 0.13 0.07 0.00 0.39 -1.51 0.00 0.00 179.97 179.05 1dfg n GLU 31 N -4.08 3.01 -0.51 0.20 -0.58 -0.71 -4.69 120.64 113.29 1dfg n GLU 31 Ca -0.03 -2.31 0.00 0.00 -0.42 0.00 0.00 57.16 54.41 1dfg n GLU 31 Cb 0.15 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.33 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 1.13 0.70 3.86 0.62 0.00 -0.46 -0.45 105.19 110.60 1dfg n GLY 32 Ca 0.21 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 3.14 -0.23 4.61 0.00 -0.18 -3.59 121.76 123.51 1dfg s ALA 33 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 1dfg s ALA 33 Cb 0.00 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 1dfg s ALA 33 CO 0.00 -0.37 0.19 -1.21 0.00 0.00 0.00 175.76 174.37 1dfg s GLU 34 N -4.47 4.09 0.14 0.00 2.02 0.32 -4.57 118.70 116.23 1dfg s GLU 34 Ca 0.56 -0.20 0.06 0.00 0.02 0.00 0.00 54.97 55.40 1dfg s GLU 34 Cb -0.10 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.56 1dfg s GLU 34 CO 0.40 0.07 0.01 -0.51 0.02 0.00 0.00 175.26 175.25 1dfg s LEU 35 N 1.02 3.43 0.05 1.80 1.43 -1.26 0.22 118.68 125.37 1dfg s LEU 35 Ca 0.09 -0.27 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1dfg s LEU 35 Cb -0.13 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.95 1dfg s LEU 35 CO 0.04 0.12 -0.11 0.00 0.23 0.00 0.00 176.35 176.63 1dfg s ALA 36 N -1.54 0.92 0.13 4.21 0.00 0.15 -4.68 121.76 120.94 1dfg s ALA 36 Ca 0.27 -0.83 0.08 0.00 0.00 0.00 0.00 51.96 51.48 1dfg s ALA 36 Cb -0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 1dfg s ALA 36 CO 0.19 0.11 -0.20 -0.06 0.00 0.00 0.00 175.76 175.80 1dfg s PHE 37 N -1.14 1.81 0.20 0.00 0.40 0.11 0.10 117.98 119.46 1dfg s PHE 37 Ca -0.04 -0.44 0.10 0.00 -0.60 0.00 0.00 56.93 55.96 1dfg s PHE 37 Cb -0.09 -0.96 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 1dfg s PHE 37 CO 0.01 0.26 -0.20 0.95 0.70 0.00 0.00 175.22 176.94 1dfg s THR 38 N -1.50 2.08 0.06 0.64 -4.23 -1.01 0.10 115.64 111.77 1dfg s THR 38 Ca 0.10 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 58.58 1dfg s THR 38 Cb -0.08 -2.02 -0.03 0.00 1.34 0.00 0.00 72.50 71.71 1dfg s THR 38 CO 0.05 -0.30 -0.11 -0.72 -0.54 0.00 0.00 174.62 173.01 1dfg s TYR 39 N -2.11 0.91 0.03 3.99 1.13 0.19 -4.52 117.35 116.98 1dfg s TYR 39 Ca 0.20 -0.49 -0.18 0.00 -1.41 0.00 0.00 57.07 55.19 1dfg s TYR 39 Cb -0.06 -0.53 -0.20 0.00 -1.10 0.00 0.00 41.96 40.07 1dfg s TYR 39 CO 0.09 -0.02 1.18 0.37 -2.51 0.00 0.00 175.55 174.66 1dfg h GLN 40 N 4.38 0.49 -3.41 -3.49 4.15 -1.87 0.64 115.11 115.99 1dfg h GLN 40 Ca -0.38 -0.44 -0.12 0.00 0.77 0.00 0.00 58.65 58.47 1dfg h GLN 40 Cb 1.20 0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.97 1dfg h GLN 40 CO 0.41 1.08 0.11 0.54 -1.93 0.00 0.00 178.83 179.04 1dfg s ASN 41 N -6.72 0.40 0.52 -0.69 2.20 -1.26 -4.41 114.94 104.97 1dfg s ASN 41 Ca -0.13 -1.32 0.22 0.00 -0.94 0.00 0.00 52.86 50.68 1dfg s ASN 41 Cb 0.05 0.80 1.40 0.00 -2.00 0.00 0.00 41.25 41.50 1dfg s ASN 41 CO 0.83 -1.59 2.13 0.44 -2.94 0.00 0.00 177.10 175.97 1dfg h ASP 42 N 2.03 0.00 -0.09 3.54 3.32 -2.00 -0.88 116.42 122.33 1dfg h ASP 42 Ca -0.32 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.70 1dfg h ASP 42 Cb 1.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1dfg h ASP 42 CO 0.41 0.06 -0.04 0.50 -1.72 0.00 0.00 179.24 178.45 1dfg h LYS 43 N 0.00 0.32 0.00 3.56 1.63 -2.02 -3.23 116.57 116.83 1dfg h LYS 43 Ca -0.00 -0.06 -0.09 0.00 -0.85 0.00 0.00 60.65 59.65 1dfg h LYS 43 Cb 0.13 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.69 1dfg h LYS 43 CO 0.01 0.39 -1.95 1.28 -3.45 0.00 0.00 179.45 175.73 1dfg n LEU 44 N -4.32 0.14 -0.29 5.20 7.99 -0.40 -4.63 117.00 120.69 1dfg n LEU 44 Ca 0.00 0.06 0.08 0.00 -0.01 0.00 0.00 56.01 56.14 1dfg n LEU 44 Cb 0.22 0.11 0.17 0.00 -0.11 0.00 0.00 43.42 43.81 1dfg n LEU 44 CO 0.37 0.10 0.59 1.17 -1.51 0.00 0.00 177.39 178.11 1dfg n LYS 45 N -2.45 -0.07 0.06 3.23 4.81 -0.79 -1.20 118.16 121.76 1dfg n LYS 45 Ca -0.10 1.26 -0.06 0.00 -0.87 0.00 0.00 58.31 58.53 1dfg n LYS 45 Cb 0.71 -1.93 0.11 0.00 0.02 0.00 0.00 35.03 33.94 1dfg n LYS 45 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1dfg h GLY 46 N 0.00 0.35 0.68 3.14 0.00 -1.82 -2.08 103.07 103.35 1dfg h GLY 46 Ca 0.44 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1dfg h GLY 46 CO -0.81 0.38 -0.01 -0.09 0.00 0.00 0.00 176.54 176.02 1dfg h ARG 47 N 0.24 0.07 -0.95 4.80 9.65 -1.46 -1.98 114.38 124.75 1dfg h ARG 47 Ca -0.00 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1dfg h ARG 47 Cb 1.09 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.62 1dfg h ARG 47 CO 0.10 0.40 0.63 0.28 2.80 0.00 0.00 179.97 184.17 1dfg h VAL 48 N -0.26 1.25 -0.73 0.20 2.07 -1.54 0.82 116.25 118.05 1dfg h VAL 48 Ca 0.01 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1dfg h VAL 48 Cb 0.37 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 1dfg h VAL 48 CO 0.00 0.24 0.22 -0.33 0.02 0.00 0.00 177.57 177.73 1dfg h GLU 49 N 1.29 1.13 -0.32 1.57 5.08 -1.31 0.34 114.58 122.36 1dfg h GLU 49 Ca 0.35 -0.24 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 1dfg h GLU 49 Cb -0.14 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 28.93 1dfg h GLU 49 CO -0.07 0.97 0.04 1.49 -1.00 0.00 0.00 179.01 180.43 1dfg h GLU 50 N 1.09 0.53 -0.44 2.33 4.81 -0.50 -1.93 114.58 120.47 1dfg h GLU 50 Ca 0.24 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1dfg h GLU 50 Cb 0.31 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1dfg h GLU 50 CO -0.01 0.63 0.14 0.74 -0.73 0.00 0.00 179.01 179.78 1dfg h PHE 51 N 0.35 0.70 -0.13 0.92 0.04 -0.24 -2.64 116.94 115.95 1dfg h PHE 51 Ca 0.09 -0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.83 1dfg h PHE 51 Cb 0.37 -0.20 -0.07 0.00 2.20 0.00 0.00 35.95 38.25 1dfg h PHE 51 CO 0.03 0.64 -0.48 0.00 -0.60 0.00 0.00 178.31 177.89 1dfg h ALA 52 N 0.99 -0.73 -1.00 2.45 0.00 -0.13 0.65 119.26 121.48 1dfg h ALA 52 Ca 0.14 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.23 1dfg h ALA 52 Cb 0.27 0.89 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 1dfg h ALA 52 CO -0.00 -1.00 0.61 0.00 0.00 0.00 0.00 179.25 178.85 1dfg h ALA 53 N -0.07 1.71 0.00 0.00 0.00 -0.85 0.52 119.26 120.57 1dfg h ALA 53 Ca 0.06 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1dfg h ALA 53 Cb 0.66 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1dfg h ALA 53 CO -0.42 -0.12 -0.15 1.96 0.00 0.00 0.00 179.25 180.53 1dfg h GLN 54 N 0.71 0.00 -0.82 0.00 4.20 -0.52 -2.16 115.11 116.52 1dfg h GLN 54 Ca 0.60 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.80 1dfg h GLN 54 Cb 1.00 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 28.50 1dfg h GLN 54 CO -0.41 0.15 0.35 1.28 -0.67 0.00 0.00 178.83 179.53 1dfg n LEU 55 N -3.76 6.23 -2.02 1.46 4.77 0.16 -4.92 117.00 118.92 1dfg n LEU 55 Ca -0.02 -4.07 -0.16 0.00 -0.03 0.00 0.00 56.01 51.74 1dfg n LEU 55 Cb 0.25 -0.77 -0.03 0.00 -2.33 0.00 0.00 43.42 40.54 1dfg n LEU 55 CO 0.32 1.41 -0.18 0.61 -1.33 0.00 0.00 177.39 178.21 1dfg n GLY 56 N -1.00 0.36 3.51 -0.72 0.00 -0.81 -4.82 105.19 101.70 1dfg n GLY 56 Ca 0.53 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.17 3.89 -0.03 1.61 0.15 0.07 -4.95 113.70 112.27 1dfg s SER 57 Ca 0.00 -0.72 0.10 0.00 0.70 0.00 0.00 55.95 56.03 1dfg s SER 57 Cb 0.00 -0.51 0.17 0.00 -1.71 0.00 0.00 66.02 63.97 1dfg s SER 57 CO 0.00 0.11 1.08 -0.90 1.20 0.00 0.00 173.24 174.72 1dfg n ASP 58 N 0.09 0.67 -4.24 5.45 5.75 -1.26 -2.19 116.55 120.83 1dfg n ASP 58 Ca -0.11 -2.26 -0.43 0.00 -0.01 0.00 0.00 54.79 51.98 1dfg n ASP 58 Cb 0.56 -0.28 -0.06 0.00 -1.03 0.00 0.00 41.12 40.31 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 -0.57 4.69 -0.20 2.12 1.01 -1.26 -5.00 121.20 121.99 1dfg s ILE 59 Ca 0.15 -2.17 0.01 0.00 0.00 0.00 0.00 60.65 58.64 1dfg s ILE 59 Cb 0.16 -4.00 0.05 0.00 0.01 0.00 0.00 42.46 38.67 1dfg s ILE 59 CO -0.04 -0.89 -0.08 -0.69 0.00 0.00 0.00 174.94 173.24 1dfg s VAL 60 N 0.78 1.50 0.10 2.92 1.01 -1.25 0.04 120.40 125.50 1dfg s VAL 60 Ca 0.11 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1dfg s VAL 60 Cb -0.21 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 1dfg s VAL 60 CO -0.03 0.10 -0.17 -0.76 0.00 0.00 0.00 175.10 174.24 1dfg s LEU 61 N 1.45 2.32 0.17 3.92 1.43 0.11 -4.97 118.68 123.12 1dfg s LEU 61 Ca -0.02 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 52.08 1dfg s LEU 61 Cb -0.17 -0.67 -0.07 0.00 0.03 0.00 0.00 46.19 45.31 1dfg s LEU 61 CO -0.08 -0.04 1.00 -1.58 0.23 0.00 0.00 176.35 175.88 1dfg s GLN 62 N -2.08 4.72 -0.24 1.70 0.74 -1.26 0.53 119.66 123.77 1dfg s GLN 62 Ca 0.04 1.55 -0.09 0.00 0.05 0.00 0.00 55.36 56.91 1dfg s GLN 62 Cb -0.09 -3.31 0.10 0.00 1.10 0.00 0.00 33.01 30.81 1dfg s GLN 62 CO 0.03 0.27 0.54 0.00 -0.55 0.00 0.00 175.29 175.58 1dfg s ASP 64 N 2.50 4.73 0.00 0.00 -1.08 -1.26 -3.60 116.67 117.96 1dfg s ASP 64 Ca -0.05 -1.55 0.07 0.00 -0.52 0.00 0.00 52.55 50.49 1dfg s ASP 64 Cb -0.11 -1.64 0.39 0.00 -1.46 0.00 0.00 42.92 40.10 1dfg s ASP 64 CO -0.16 -0.28 0.82 1.33 0.52 0.00 0.00 175.17 177.40 1dfg n VAL 65 N 4.48 0.00 0.21 1.11 0.24 -1.26 -1.91 118.33 121.19 1dfg n VAL 65 Ca -0.09 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.32 1dfg n VAL 65 Cb 0.42 -0.53 0.15 0.00 -1.47 0.00 0.00 33.84 32.42 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 2.34 0.95 -3.50 2.33 0.00 -1.96 -3.43 119.26 115.98 1dfg h ALA 66 Ca 0.00 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 54.20 1dfg h ALA 66 Cb 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 17.79 17.43 1dfg h ALA 66 CO 0.00 0.06 -0.82 -1.21 0.00 0.00 0.00 179.25 177.28 1dfg s GLU 67 N -3.19 2.58 0.37 0.00 0.41 -0.81 -4.98 118.70 113.08 1dfg s GLU 67 Ca 0.06 -1.12 0.12 0.00 -0.41 0.00 0.00 54.97 53.63 1dfg s GLU 67 Cb 0.05 -2.77 0.91 0.00 -1.78 0.00 0.00 34.13 30.54 1dfg s GLU 67 CO 0.68 -0.42 1.84 -0.44 -0.49 0.00 0.00 175.26 176.43 1dfg h ASP 68 N 7.86 0.58 -0.82 -0.19 3.32 -1.85 -0.11 116.42 125.22 1dfg h ASP 68 Ca -0.31 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 56.76 1dfg h ASP 68 Cb 1.08 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 1dfg h ASP 68 CO 0.54 0.25 0.37 0.00 -1.72 0.00 0.00 179.24 178.67 1dfg h ALA 69 N 1.61 1.06 -0.40 3.45 0.00 -1.93 -0.16 119.26 122.89 1dfg h ALA 69 Ca 0.49 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1dfg h ALA 69 Cb 0.97 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1dfg h ALA 69 CO -0.24 0.65 0.16 1.03 0.00 0.00 0.00 179.25 180.85 1dfg h SER 70 N 1.17 0.55 0.20 0.00 0.87 -1.32 0.15 113.55 115.17 1dfg h SER 70 Ca 0.28 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1dfg h SER 70 Cb 0.16 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1dfg h SER 70 CO -0.03 0.57 -0.14 0.40 -0.53 0.00 0.00 176.83 177.10 1dfg h ILE 71 N 0.50 0.70 -0.15 2.23 2.04 -0.83 -1.10 117.51 120.90 1dfg h ILE 71 Ca 0.13 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.03 1dfg h ILE 71 Cb 0.19 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 1dfg h ILE 71 CO -0.01 0.00 -0.09 0.44 0.00 0.00 0.00 178.15 178.49 1dfg h ASP 72 N -0.34 -0.29 -0.82 1.72 3.32 -0.80 -1.39 116.42 117.83 1dfg h ASP 72 Ca -0.01 0.07 0.05 0.00 0.02 0.00 0.00 57.03 57.15 1dfg h ASP 72 Cb 0.29 0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 1dfg h ASP 72 CO 0.00 -0.12 0.54 0.74 -1.72 0.00 0.00 179.24 178.68 1dfg h THR 73 N -0.08 1.10 -0.16 0.35 2.02 -0.60 0.70 112.91 116.24 1dfg h THR 73 Ca 0.09 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 1dfg h THR 73 Cb 0.22 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.67 1dfg h THR 73 CO -0.20 0.18 -0.05 -0.03 0.37 0.00 0.00 175.52 175.79 1dfg h MET 74 N 0.97 0.31 -0.24 6.66 1.85 -0.50 -1.39 114.93 122.59 1dfg h MET 74 Ca 0.33 -0.12 -0.05 0.00 -0.61 0.00 0.00 59.70 59.25 1dfg h MET 74 Cb 0.11 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 1dfg h MET 74 CO -0.11 0.59 -0.07 0.74 -0.40 0.00 0.00 176.91 177.67 1dfg h PHE 75 N 0.00 0.38 -0.49 1.39 0.04 -0.95 0.12 116.94 117.44 1dfg h PHE 75 Ca 0.04 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1dfg h PHE 75 Cb 0.48 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 1dfg h PHE 75 CO 0.05 0.44 0.21 0.00 -0.60 0.00 0.00 178.31 178.42 1dfg h ALA 76 N 1.58 0.63 -0.16 2.45 0.00 -0.65 -1.56 119.26 121.56 1dfg h ALA 76 Ca 0.07 -0.14 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1dfg h ALA 76 Cb 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1dfg h ALA 76 CO 0.02 0.22 -0.70 0.93 0.00 0.00 0.00 179.25 179.71 1dfg h GLU 77 N 0.64 0.69 -0.21 0.00 4.39 -0.56 -3.15 114.58 116.38 1dfg h GLU 77 Ca 0.16 -0.53 0.04 0.00 0.34 0.00 0.00 59.36 59.38 1dfg h GLU 77 Cb 0.17 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1dfg h GLU 77 CO -0.02 1.14 -0.06 1.25 -1.16 0.00 0.00 179.01 180.17 1dfg h LEU 78 N 0.49 -0.21 -0.95 1.33 5.85 -0.58 -2.43 115.31 118.82 1dfg h LEU 78 Ca -0.03 0.07 0.28 0.00 0.84 0.00 0.00 57.88 59.04 1dfg h LEU 78 Cb 1.31 0.14 -0.15 0.00 0.37 0.00 0.00 40.66 42.32 1dfg h LEU 78 CO 0.14 -0.07 0.39 1.23 -0.34 0.00 0.00 178.44 179.78 1dfg h GLY 79 N -0.00 1.72 -0.18 3.75 0.00 -1.24 0.74 103.07 107.85 1dfg h GLY 79 Ca 0.10 -0.12 0.17 0.00 0.00 0.00 0.00 47.33 47.48 1dfg h GLY 79 CO -0.22 -0.45 0.13 0.50 0.00 0.00 0.00 176.54 176.49 1dfg h LYS 80 N 0.24 0.20 0.00 4.80 1.57 -1.45 -2.55 116.57 119.38 1dfg h LYS 80 Ca 0.65 -0.01 -0.26 0.00 -1.87 0.00 0.00 60.65 59.16 1dfg h LYS 80 Cb 1.43 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.64 1dfg h LYS 80 CO -0.66 0.13 -1.95 1.55 -0.57 0.00 0.00 179.45 177.96 1dfg n VAL 81 N -5.22 1.22 -3.59 0.50 3.14 0.56 -4.70 118.33 110.23 1dfg n VAL 81 Ca 0.14 -0.76 -0.28 0.00 -2.96 0.00 0.00 64.34 60.49 1dfg n VAL 81 Cb 0.48 -0.60 -0.11 0.00 -1.06 0.00 0.00 33.84 32.55 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 -2.75 2.03 0.49 1.45 0.52 0.23 -4.94 118.94 115.97 1dfg s TRP 82 Ca -0.07 -2.69 0.18 0.00 0.02 0.00 0.00 56.10 53.54 1dfg s TRP 82 Cb 0.08 -1.62 1.21 0.00 -1.15 0.00 0.00 33.47 31.99 1dfg s TRP 82 CO 0.83 -0.72 2.04 -1.35 0.02 0.00 0.00 176.95 177.77 1dfg h PRO 83 N 5.61 0.16 -4.13 4.98 0.11 -1.68 -3.32 132.00 133.74 1dfg h PRO 83 Ca 0.21 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 66.13 1dfg h PRO 83 Cb 0.85 -0.04 -0.20 0.00 0.11 0.00 0.00 31.00 31.73 1dfg h PRO 83 CO 0.50 0.11 -0.70 0.15 -0.21 0.00 0.00 178.00 177.85 1dfg s LYS 84 N -5.18 0.40 0.28 1.05 -0.14 -1.26 -4.66 119.74 110.23 1dfg s LYS 84 Ca -0.06 -0.73 -0.16 0.00 -1.36 0.00 0.00 55.97 53.66 1dfg s LYS 84 Cb 0.19 0.05 0.01 0.00 -1.68 0.00 0.00 37.83 36.40 1dfg s LYS 84 CO 0.72 -0.04 0.62 -0.59 -0.76 0.00 0.00 175.35 175.30 1dfg s PHE 85 N -1.82 0.12 -0.31 3.18 -0.71 0.06 -4.98 117.98 113.53 1dfg s PHE 85 Ca -0.11 -0.55 0.12 0.00 -1.04 0.00 0.00 56.93 55.34 1dfg s PHE 85 Cb -0.07 0.47 0.76 0.00 -1.21 0.00 0.00 43.02 42.97 1dfg s PHE 85 CO -0.02 -1.17 1.69 -0.25 -1.34 0.00 0.00 175.22 174.14 1dfg n ASP 86 N -0.56 5.27 0.00 1.98 8.00 -0.50 -0.74 116.55 130.00 1dfg n ASP 86 Ca -0.03 -2.94 0.00 0.00 0.71 0.00 0.00 54.79 52.52 1dfg n ASP 86 Cb 0.60 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.01 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 0.41 0.13 3.37 0.44 0.00 -1.26 -1.28 105.19 107.01 1dfg n GLY 87 Ca 0.29 -2.30 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 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 0.00 -0.37 -0.34 1.61 -0.12 -1.12 -2.29 117.98 115.35 1dfg s PHE 88 Ca 0.00 0.23 -0.08 0.00 -0.05 0.00 0.00 56.93 57.03 1dfg s PHE 88 Cb 0.00 0.36 0.03 0.00 -0.63 0.00 0.00 43.02 42.78 1dfg s PHE 88 CO 0.00 -0.71 0.13 0.08 -0.05 0.00 0.00 175.22 174.66 1dfg s VAL 89 N -3.24 4.03 -0.42 -2.49 1.01 -0.74 -1.49 120.40 117.05 1dfg s VAL 89 Ca -0.01 -0.97 -0.20 0.00 0.00 0.00 0.00 61.98 60.81 1dfg s VAL 89 Cb 0.00 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.17 1dfg s VAL 89 CO -0.08 -0.14 0.59 -2.28 0.00 0.00 0.00 175.10 173.20 1dfg s HIS 90 N 1.46 3.10 -0.41 5.22 2.46 0.37 -2.45 115.29 125.04 1dfg s HIS 90 Ca 0.00 -0.06 0.10 0.00 0.47 0.00 0.00 55.06 55.57 1dfg s HIS 90 Cb -0.19 -3.21 0.41 0.00 -0.13 0.00 0.00 32.58 29.46 1dfg s HIS 90 CO 0.04 -0.79 0.98 0.45 -2.47 0.00 0.00 174.74 172.95 1dfg n SER 91 N 6.08 3.08 -4.52 9.88 2.88 -1.26 -3.21 113.62 126.54 1dfg n SER 91 Ca -0.03 -3.28 -0.26 0.00 -1.33 0.00 0.00 58.87 53.96 1dfg n SER 91 Cb 0.48 -0.52 -0.10 0.00 -0.75 0.00 0.00 64.21 63.32 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 -4.17 2.89 -0.22 2.46 1.01 -1.26 -4.20 121.20 117.71 1dfg s ILE 92 Ca 0.40 -1.83 -0.31 0.00 0.00 0.00 0.00 60.65 58.91 1dfg s ILE 92 Cb 0.40 -2.43 0.16 0.00 0.01 0.00 0.00 42.46 40.59 1dfg s ILE 92 CO -0.09 -0.14 1.20 -0.83 0.00 0.00 0.00 174.94 175.08 1dfg s GLY 93 N -2.85 -0.11 -0.23 6.18 0.00 -1.26 -4.81 107.32 104.23 1dfg s GLY 93 Ca 0.24 2.30 -0.30 0.00 0.00 0.00 0.00 44.72 46.96 1dfg s GLY 93 CO 0.14 0.96 1.21 -0.12 0.00 0.00 0.00 173.10 175.29 1dfg s PHE 94 N -1.34 -0.17 -0.12 1.90 5.36 -1.26 -4.93 117.98 117.42 1dfg s PHE 94 Ca 0.05 0.28 -0.30 0.00 -0.96 0.00 0.00 56.93 56.00 1dfg s PHE 94 Cb -0.01 0.48 0.11 0.00 -0.34 0.00 0.00 43.02 43.26 1dfg s PHE 94 CO -0.04 -0.16 0.91 0.00 -1.46 0.00 0.00 175.22 174.46 1dfg s ALA 95 N -1.17 -1.88 0.30 11.12 0.00 -1.26 -3.87 121.76 124.99 1dfg s ALA 95 Ca 0.05 1.48 -0.29 0.00 0.00 0.00 0.00 51.96 53.19 1dfg s ALA 95 Cb -0.01 -0.45 -0.10 0.00 0.00 0.00 0.00 23.12 22.57 1dfg s ALA 95 CO -0.04 -0.35 1.25 -2.14 0.00 0.00 0.00 175.76 174.48 1dfg s PRO 96 N -1.28 4.43 0.30 0.00 0.02 -1.26 -4.92 135.00 132.29 1dfg s PRO 96 Ca -0.04 2.09 0.04 0.00 0.02 0.00 0.00 61.00 63.11 1dfg s PRO 96 Cb -0.00 -3.12 0.65 0.00 0.02 0.00 0.00 34.50 32.05 1dfg s PRO 96 CO 0.03 -0.09 1.83 0.78 -0.33 0.00 0.00 177.00 179.21 1dfg h GLY 97 N 3.80 1.61 0.53 0.52 0.00 -1.99 0.11 103.07 107.65 1dfg h GLY 97 Ca -0.48 -0.39 0.21 0.00 0.00 0.00 0.00 47.33 46.67 1dfg h GLY 97 CO 0.68 0.09 0.53 1.29 0.00 0.00 0.00 176.54 179.13 1dfg h ASP 98 N 0.89 0.00 0.38 0.19 2.03 -1.97 -0.62 116.42 117.31 1dfg h ASP 98 Ca 0.51 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.76 1dfg h ASP 98 Cb 0.64 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.13 1dfg h ASP 98 CO -0.29 0.00 -0.25 1.56 -1.03 0.00 0.00 179.24 179.23 1dfg h GLN 99 N 0.00 0.00 -0.86 4.15 1.08 -1.05 -3.25 115.11 115.18 1dfg h GLN 99 Ca 0.34 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.98 1dfg h GLN 99 Cb 1.40 0.00 -0.30 0.00 -0.05 0.00 0.00 27.48 28.53 1dfg h GLN 99 CO -0.00 0.25 0.35 1.28 -0.95 0.00 0.00 178.83 179.76 1dfg n LEU 100 N -3.96 6.50 -3.67 1.46 7.99 -0.24 -4.51 117.00 120.58 1dfg n LEU 100 Ca -0.02 -4.23 -0.23 0.00 -0.01 0.00 0.00 56.01 51.52 1dfg n LEU 100 Cb 0.33 -0.77 -0.17 0.00 -0.11 0.00 0.00 43.42 42.69 1dfg n LEU 100 CO 0.35 1.53 -0.35 -0.62 -1.51 0.00 0.00 177.39 176.79 1dfg s ASP 101 N -2.24 1.84 0.00 -1.43 2.15 -1.23 -3.95 116.67 111.81 1dfg s ASP 101 Ca 0.58 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.27 1dfg s ASP 101 Cb 0.47 -0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.82 1dfg s ASP 101 CO 0.02 -0.28 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 1dfg n GLY 102 N 5.24 -2.01 3.72 2.66 0.00 -1.26 -4.77 105.19 108.77 1dfg n GLY 102 Ca -0.06 -1.47 -0.67 0.00 0.00 0.00 0.00 46.02 43.82 1dfg n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dfg n ASP 103 N 0.80 1.28 -0.21 1.61 -0.08 -1.26 -4.56 116.55 114.13 1dfg n ASP 103 Ca 0.00 1.15 0.00 0.00 -1.51 0.00 0.00 54.79 54.43 1dfg n ASP 103 Cb 0.00 -0.90 0.11 0.00 2.34 0.00 0.00 41.12 42.67 1dfg n ASP 103 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1dfg h TYR 104 N 5.46 0.49 -0.23 -0.67 3.20 -1.95 -0.05 116.97 123.21 1dfg h TYR 104 Ca -0.42 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.45 1dfg h TYR 104 Cb 1.37 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 1dfg h TYR 104 CO 0.68 0.16 0.04 0.28 -1.64 0.00 0.00 178.16 177.68 1dfg h VAL 105 N 0.48 1.22 -0.50 1.81 2.07 -1.94 -0.55 116.25 118.85 1dfg h VAL 105 Ca 0.31 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 1dfg h VAL 105 Cb 0.35 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1dfg h VAL 105 CO -0.28 0.24 0.22 0.78 0.02 0.00 0.00 177.57 178.55 1dfg h ASN 106 N 0.19 0.68 -0.20 0.57 2.35 -1.87 -3.26 115.58 114.04 1dfg h ASN 106 Ca 0.07 -0.15 -0.05 0.00 -0.55 0.00 0.00 56.30 55.62 1dfg h ASN 106 Cb 0.32 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1dfg h ASN 106 CO 0.00 0.64 -0.08 0.00 -1.65 0.00 0.00 177.43 176.35 1dfg h ALA 107 N 1.06 0.28 -3.03 -0.83 0.00 -0.89 -3.46 119.26 112.40 1dfg h ALA 107 Ca 0.17 -0.27 -0.56 0.00 0.00 0.00 0.00 54.91 54.25 1dfg h ALA 107 Cb 0.16 -0.07 0.15 0.00 0.00 0.00 0.00 17.79 18.03 1dfg h ALA 107 CO -0.02 0.09 0.51 1.55 0.00 0.00 0.00 179.25 181.38 1dfg n VAL 108 N -4.59 4.27 -4.01 0.00 3.14 -0.23 -4.73 118.33 112.19 1dfg n VAL 108 Ca -0.05 -0.50 -0.08 0.00 -2.96 0.00 0.00 64.34 60.75 1dfg n VAL 108 Cb 0.30 -1.53 -0.09 0.00 -1.06 0.00 0.00 33.84 31.46 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 -1.35 0.17 0.22 1.55 -4.23 -1.26 -4.99 115.64 105.75 1dfg s THR 109 Ca 0.77 -1.58 -0.08 0.00 -1.18 0.00 0.00 61.69 59.61 1dfg s THR 109 Cb -0.40 -1.55 0.16 0.00 1.34 0.00 0.00 72.50 72.05 1dfg s THR 109 CO 0.45 -0.77 1.77 -0.09 -0.54 0.00 0.00 174.62 175.45 1dfg h ARG 110 N 2.94 0.55 -0.24 3.99 2.43 -2.00 -1.57 114.38 120.48 1dfg h ARG 110 Ca -0.34 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 58.63 1dfg h ARG 110 Cb 1.17 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1dfg h ARG 110 CO 0.61 0.36 -0.54 1.49 -1.51 0.00 0.00 179.97 180.38 1dfg h GLU 111 N 0.56 0.70 -0.13 0.20 4.81 -1.99 -2.16 114.58 116.57 1dfg h GLU 111 Ca 0.34 -0.44 -0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1dfg h GLU 111 Cb 0.36 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 1dfg h GLU 111 CO -0.27 1.06 -0.00 0.78 -0.73 0.00 0.00 179.01 179.85 1dfg h GLY 112 N 0.90 0.26 0.28 1.92 0.00 -1.87 -0.46 103.07 104.10 1dfg h GLY 112 Ca 0.01 -0.19 0.05 0.00 0.00 0.00 0.00 47.33 47.21 1dfg h GLY 112 CO 0.11 0.17 -0.20 -2.75 0.00 0.00 0.00 176.54 173.87 1dfg h PHE 113 N -0.03 -0.53 -0.09 5.60 3.04 -1.32 0.40 116.94 124.00 1dfg h PHE 113 Ca 0.04 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.06 1dfg h PHE 113 Cb 0.37 0.27 -0.06 0.00 2.56 0.00 0.00 35.95 39.09 1dfg h PHE 113 CO 0.03 -0.28 -0.29 -0.22 -2.02 0.00 0.00 178.31 175.53 1dfg h LYS 114 N -0.23 -0.37 0.04 1.11 3.11 -1.17 -0.91 116.57 118.16 1dfg h LYS 114 Ca 0.12 0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 57.98 1dfg h LYS 114 Cb 0.41 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1dfg h LYS 114 CO -0.33 -0.25 -0.02 0.82 -2.81 0.00 0.00 179.45 176.86 1dfg h ILE 115 N -0.39 0.98 -0.82 2.00 2.04 -0.66 0.15 117.51 120.82 1dfg h ILE 115 Ca 0.09 -0.08 0.13 0.00 1.00 0.00 0.00 64.86 66.00 1dfg h ILE 115 Cb 0.52 1.04 -0.09 0.00 -0.74 0.00 0.00 36.82 37.55 1dfg h ILE 115 CO -0.31 0.02 0.42 0.00 0.00 0.00 0.00 178.15 178.28 1dfg h ALA 116 N 0.87 1.20 0.09 1.87 0.00 -0.71 -1.01 119.26 121.55 1dfg h ALA 116 Ca -0.01 0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.72 1dfg h ALA 116 Cb 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.84 1dfg h ALA 116 CO 0.01 -0.07 -1.13 0.45 0.00 0.00 0.00 179.25 178.51 1dfg h HIS 117 N 0.63 0.55 0.60 0.00 3.86 -0.71 -1.21 115.15 118.87 1dfg h HIS 117 Ca 0.43 -0.36 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1dfg h HIS 117 Cb 0.56 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 29.00 1dfg h HIS 117 CO -0.10 1.24 -0.29 0.22 0.86 0.00 0.00 177.93 179.86 1dfg h ASP 118 N 0.13 -0.68 -0.14 2.45 3.58 -0.05 -1.91 116.42 119.81 1dfg h ASP 118 Ca -0.12 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1dfg h ASP 118 Cb 1.82 0.18 -0.01 0.00 1.72 0.00 0.00 39.33 43.04 1dfg h ASP 118 CO 0.19 -0.43 0.09 0.40 -2.88 0.00 0.00 179.24 176.61 1dfg h ILE 119 N -0.92 1.04 0.00 2.25 1.08 -1.35 -2.38 117.51 117.24 1dfg h ILE 119 Ca -0.08 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.31 1dfg h ILE 119 Cb 0.61 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.21 1dfg h ILE 119 CO 0.13 0.04 -0.11 0.28 -0.69 0.00 0.00 178.15 177.81 1dfg h SER 120 N 0.18 0.00 0.00 1.72 0.02 -1.31 -3.37 113.55 110.79 1dfg h SER 120 Ca 0.05 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1dfg h SER 120 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1dfg h SER 120 CO -0.01 0.00 -0.23 -0.24 -1.14 0.00 0.00 176.83 175.21 1dfg n SER 121 N -2.83 0.46 -0.36 3.07 2.88 -0.81 -4.79 113.62 111.24 1dfg n SER 121 Ca 0.04 0.17 0.08 0.00 -1.33 0.00 0.00 58.87 57.83 1dfg n SER 121 Cb 0.50 -0.06 0.25 0.00 -0.75 0.00 0.00 64.21 64.15 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 0.00 1.13 -0.88 0.66 3.20 -1.13 -2.70 116.97 117.26 1dfg h TYR 122 Ca 0.00 0.03 0.21 0.00 3.14 0.00 0.00 58.73 62.11 1dfg h TYR 122 Cb 0.23 -0.36 -0.06 0.00 1.54 0.00 0.00 36.73 38.09 1dfg h TYR 122 CO 0.00 0.43 0.59 0.66 -1.64 0.00 0.00 178.16 178.20 1dfg h SER 123 N 0.97 0.31 -0.59 -2.11 4.64 -1.60 -0.50 113.55 114.67 1dfg h SER 123 Ca 0.51 0.03 -0.06 0.00 -0.47 0.00 0.00 61.79 61.80 1dfg h SER 123 Cb 0.54 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1dfg h SER 123 CO -0.28 0.12 0.15 0.15 -0.87 0.00 0.00 176.83 176.10 1dfg h PHE 124 N 0.31 0.99 0.00 4.77 3.57 -1.77 -1.29 116.94 123.52 1dfg h PHE 124 Ca 0.45 -0.12 -0.22 0.00 3.53 0.00 0.00 57.97 61.61 1dfg h PHE 124 Cb 1.26 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 1dfg h PHE 124 CO -0.00 0.84 -1.13 -0.24 -2.23 0.00 0.00 178.31 175.55 1dfg h VAL 125 N 0.86 1.49 -0.23 1.41 3.04 -1.39 -2.84 116.25 118.58 1dfg h VAL 125 Ca 0.19 -3.21 0.06 0.00 -1.01 0.00 0.00 66.70 62.72 1dfg h VAL 125 Cb 0.34 2.73 -0.06 0.00 -2.01 0.00 0.00 31.29 32.30 1dfg h VAL 125 CO 0.00 0.85 -0.17 0.00 -1.01 0.00 0.00 177.57 177.24 1dfg h ALA 126 N 1.03 -0.01 -0.92 3.17 0.00 -0.94 0.57 119.26 122.17 1dfg h ALA 126 Ca -0.07 0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1dfg h ALA 126 Cb 1.80 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 19.91 1dfg h ALA 126 CO 0.12 -0.59 0.61 0.52 0.00 0.00 0.00 179.25 179.91 1dfg h MET 127 N -0.16 1.19 -0.64 0.00 2.07 -1.23 -1.01 114.93 115.14 1dfg h MET 127 Ca 0.13 -0.07 -0.09 0.00 -2.07 0.00 0.00 59.70 57.60 1dfg h MET 127 Cb 0.36 -0.27 -0.02 0.00 -1.87 0.00 0.00 31.60 29.80 1dfg h MET 127 CO -0.33 0.79 0.04 0.00 1.07 0.00 0.00 176.91 178.48 1dfg h ALA 128 N 1.35 0.86 -0.58 6.32 0.00 -0.87 -1.32 119.26 125.01 1dfg h ALA 128 Ca 0.34 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1dfg h ALA 128 Cb -0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1dfg h ALA 128 CO -0.08 0.68 0.35 -0.22 0.00 0.00 0.00 179.25 179.97 1dfg h LYS 129 N 1.01 0.79 0.00 0.00 3.64 0.70 -0.68 116.57 122.04 1dfg h LYS 129 Ca 0.19 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 1dfg h LYS 129 Cb 0.52 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1dfg h LYS 129 CO 0.02 0.57 -0.65 0.00 -2.27 0.00 0.00 179.45 177.12 1dfg h ALA 130 N 1.18 0.86 -0.41 5.00 0.00 -0.79 -3.27 119.26 121.83 1dfg h ALA 130 Ca 0.21 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1dfg h ALA 130 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1dfg h ALA 130 CO -0.04 0.82 0.00 0.00 0.00 0.00 0.00 179.25 180.03 1dfg h ARG 132 N 2.38 0.23 0.00 0.00 2.43 -1.18 -0.47 114.38 117.77 1dfg h ARG 132 Ca 0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1dfg h ARG 132 Cb 0.81 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1dfg h ARG 132 CO 0.01 0.15 -0.07 0.66 -1.51 0.00 0.00 179.97 179.21 1dfg h SER 133 N 0.24 0.00 -0.02 -3.80 4.64 -1.86 -3.07 113.55 109.68 1dfg h SER 133 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1dfg h SER 133 Cb 0.81 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1dfg h SER 133 CO -0.57 0.07 -0.12 0.23 -0.87 0.00 0.00 176.83 175.57 1dfg n MET 134 N -3.30 2.00 -2.86 4.77 2.81 -0.20 -4.95 117.12 115.39 1dfg n MET 134 Ca -0.01 -1.63 -0.40 0.00 -1.81 0.00 0.00 57.70 53.86 1dfg n MET 134 Cb 0.26 -1.47 -0.06 0.00 -0.71 0.00 0.00 33.22 31.25 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 -2.12 4.58 0.41 4.03 1.43 -1.16 -0.76 118.68 125.09 1dfg s LEU 135 Ca 0.26 1.76 -0.08 0.00 -1.03 0.00 0.00 54.13 55.04 1dfg s LEU 135 Cb 0.20 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 42.92 1dfg s LEU 135 CO 0.37 0.13 0.74 0.20 0.23 0.00 0.00 176.35 178.01 1dfg s ASN 136 N -0.85 6.43 0.24 2.29 0.01 0.08 -4.88 114.94 118.26 1dfg s ASN 136 Ca 0.40 0.99 -0.30 0.00 -0.71 0.00 0.00 52.86 53.24 1dfg s ASN 136 Cb -0.24 -2.27 -0.10 0.00 0.41 0.00 0.00 41.25 39.05 1dfg s ASN 136 CO 0.28 -0.42 1.52 -2.16 -1.51 0.00 0.00 177.10 174.82 1dfg s PRO 137 N -4.08 4.21 0.00 -0.60 0.04 -1.26 -0.42 135.00 132.90 1dfg s PRO 137 Ca 0.49 2.40 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1dfg s PRO 137 Cb -0.10 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.34 1dfg s PRO 137 CO 0.35 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.27 1dfg n GLY 138 N 2.65 0.44 3.74 0.56 0.00 -0.00 -5.03 105.19 107.54 1dfg n GLY 138 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.77 4.54 -0.04 1.61 0.01 0.44 -4.88 113.70 112.61 1dfg s SER 139 Ca 0.00 2.31 0.01 0.00 1.31 0.00 0.00 55.95 59.58 1dfg s SER 139 Cb 0.00 -2.59 0.02 0.00 0.21 0.00 0.00 66.02 63.67 1dfg s SER 139 CO 0.00 -2.03 -0.04 0.00 0.41 0.00 0.00 173.24 171.58 1dfg s ALA 140 N -1.95 0.62 -0.10 1.44 0.00 -0.40 -2.11 121.76 119.25 1dfg s ALA 140 Ca 0.74 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.64 1dfg s ALA 140 Cb -0.28 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1dfg s ALA 140 CO 0.42 0.00 -0.00 -0.51 0.00 0.00 0.00 175.76 175.67 1dfg s LEU 141 N 0.83 3.54 -0.01 0.00 1.43 0.22 -2.81 118.68 121.88 1dfg s LEU 141 Ca -0.11 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1dfg s LEU 141 Cb -0.14 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1dfg s LEU 141 CO 0.00 0.33 -0.08 -0.22 0.23 0.00 0.00 176.35 176.62 1dfg s LEU 142 N -0.61 2.01 0.22 1.79 2.96 -0.56 -1.71 118.68 122.78 1dfg s LEU 142 Ca 0.10 -0.14 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1dfg s LEU 142 Cb -0.12 -0.39 -0.05 0.00 0.50 0.00 0.00 46.19 46.13 1dfg s LEU 142 CO 0.02 0.09 0.04 0.28 -1.32 0.00 0.00 176.35 175.46 1dfg s THR 143 N -0.18 0.71 -0.08 3.68 -1.32 -0.99 0.14 115.64 117.60 1dfg s THR 143 Ca 0.03 -2.00 0.05 0.00 -1.21 0.00 0.00 61.69 58.56 1dfg s THR 143 Cb -0.03 -2.38 -0.01 0.00 -1.51 0.00 0.00 72.50 68.58 1dfg s THR 143 CO -0.00 -0.25 -0.24 -0.76 -2.21 0.00 0.00 174.62 171.16 1dfg s LEU 144 N -3.26 2.11 0.00 9.08 1.02 -1.20 -1.28 118.68 125.16 1dfg s LEU 144 Ca 0.30 -0.53 0.00 0.00 0.02 0.00 0.00 54.13 53.93 1dfg s LEU 144 Cb 0.07 -1.41 -0.00 0.00 0.02 0.00 0.00 46.19 44.87 1dfg s LEU 144 CO 0.09 0.20 0.01 -0.24 0.02 0.00 0.00 176.35 176.43 1dfg n SER 145 N 3.28 1.21 -3.77 2.29 2.88 0.68 -4.94 113.62 115.26 1dfg n SER 145 Ca -0.18 -1.20 -0.13 0.00 -1.33 0.00 0.00 58.87 56.03 1dfg n SER 145 Cb 0.53 0.08 -0.09 0.00 -0.75 0.00 0.00 64.21 63.98 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 -1.57 -0.16 0.47 0.66 5.04 -1.26 -2.81 117.35 117.73 1dfg s TYR 146 Ca 0.02 0.22 0.24 0.00 -2.44 0.00 0.00 57.07 55.11 1dfg s TYR 146 Cb 0.00 0.08 1.27 0.00 0.35 0.00 0.00 41.96 43.66 1dfg s TYR 146 CO 0.01 -0.38 1.87 1.25 -1.34 0.00 0.00 175.55 176.96 1dfg h LEU 147 N 3.92 0.22 -1.23 6.97 5.85 -1.92 0.26 115.31 129.38 1dfg h LEU 147 Ca -0.30 0.03 0.43 0.00 0.84 0.00 0.00 57.88 58.88 1dfg h LEU 147 Cb 1.18 -0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.07 1dfg h LEU 147 CO 0.40 0.08 0.79 0.61 -0.34 0.00 0.00 178.44 179.98 1dfg n GLY 148 N -1.60 -0.76 0.19 3.75 0.00 -1.26 0.84 105.19 106.35 1dfg n GLY 148 Ca 0.19 0.69 0.03 0.00 0.00 0.00 0.00 46.02 46.92 1dfg n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfg h ALA 149 N 1.45 1.40 0.00 4.61 0.00 -0.65 -3.28 119.26 122.78 1dfg h ALA 149 Ca 0.79 -0.33 -0.24 0.00 0.00 0.00 0.00 54.91 55.13 1dfg h ALA 149 Cb 2.55 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 20.23 1dfg h ALA 149 CO -0.43 0.45 -2.03 0.39 0.00 0.00 0.00 179.25 177.63 1dfg n GLU 150 N -4.10 0.66 -4.33 0.00 1.02 0.25 -4.58 120.64 109.56 1dfg n GLU 150 Ca -0.02 0.03 -0.18 0.00 -0.02 0.00 0.00 57.16 56.98 1dfg n GLU 150 Cb 0.40 -1.61 -0.10 0.00 -0.02 0.00 0.00 31.44 30.11 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 -2.80 1.30 -0.39 3.49 1.81 -0.71 -5.10 118.95 116.55 1dfg s ARG 151 Ca -0.08 -1.57 -0.26 0.00 -1.72 0.00 0.00 55.73 52.10 1dfg s ARG 151 Cb 0.08 -1.06 0.02 0.00 -0.45 0.00 0.00 34.95 33.54 1dfg s ARG 151 CO 0.84 0.17 0.94 0.00 -0.68 0.00 0.00 175.30 176.58 1dfg s ALA 152 N -3.00 3.36 -0.17 2.13 0.00 -1.26 -4.47 121.76 118.34 1dfg s ALA 152 Ca 0.22 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 1dfg s ALA 152 Cb -0.00 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 1dfg s ALA 152 CO 0.06 -1.74 -0.06 0.42 0.00 0.00 0.00 175.76 174.44 1dfg s ILE 153 N 3.61 3.58 0.15 0.00 1.01 -1.26 -5.07 121.20 123.21 1dfg s ILE 153 Ca 0.39 -0.46 -0.34 0.00 0.00 0.00 0.00 60.65 60.24 1dfg s ILE 153 Cb -0.11 -2.57 -0.16 0.00 0.01 0.00 0.00 42.46 39.63 1dfg s ILE 153 CO 0.21 0.48 1.30 -2.65 0.00 0.00 0.00 174.94 174.28 1dfg n PRO 154 N 3.87 1.36 0.00 2.79 -0.02 -1.26 -0.90 135.00 140.84 1dfg n PRO 154 Ca -0.18 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1dfg n PRO 154 Cb 0.52 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 2.36 0.00 0.27 2.55 3.02 -1.26 -4.71 115.26 117.48 1dfg n ASN 155 Ca 0.16 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.84 1dfg n ASN 155 Cb 0.24 -0.19 0.77 0.00 -0.61 0.00 0.00 39.78 39.99 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 0.00 0.00 3.10 3.20 -1.32 -3.38 116.97 118.57 1dfg h TYR 156 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1dfg h TYR 156 Cb 0.00 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.27 1dfg h TYR 156 CO 0.00 0.08 0.00 0.09 -1.64 0.00 0.00 178.16 176.69 1dfg n ASN 157 N -3.80 0.00 0.27 -2.11 3.02 -1.23 -2.07 115.26 109.34 1dfg n ASN 157 Ca -0.02 0.00 0.16 0.00 -0.03 0.00 0.00 54.58 54.69 1dfg n ASN 157 Cb 0.18 0.00 0.90 0.00 -0.61 0.00 0.00 39.78 40.25 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 0.47 -0.18 2.41 3.04 -1.87 -1.28 116.25 118.84 1dfg h VAL 158 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 1dfg h VAL 158 Cb 0.00 0.93 -0.01 0.00 -2.01 0.00 0.00 31.29 30.20 1dfg h VAL 158 CO 0.00 0.00 0.04 0.24 -1.01 0.00 0.00 177.57 176.84 1dfg h MET 159 N 0.00 0.26 -0.31 4.17 2.86 -1.78 0.07 114.93 120.19 1dfg h MET 159 Ca 0.03 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 1dfg h MET 159 Cb 0.20 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 1dfg h MET 159 CO -0.00 0.25 0.01 0.78 1.06 0.00 0.00 176.91 179.00 1dfg h GLY 160 N 0.44 0.30 0.88 8.32 0.00 -1.27 0.33 103.07 112.08 1dfg h GLY 160 Ca 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 1dfg h GLY 160 CO -0.00 -0.06 0.02 1.41 0.00 0.00 0.00 176.54 177.91 1dfg h LEU 161 N 0.10 0.07 -1.20 3.11 4.07 -1.13 -1.57 115.31 118.76 1dfg h LEU 161 Ca 0.15 -0.13 0.08 0.00 0.08 0.00 0.00 57.88 58.06 1dfg h LEU 161 Cb 0.19 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 41.86 1dfg h LEU 161 CO -0.24 0.18 0.57 0.00 -1.08 0.00 0.00 178.44 177.87 1dfg h ALA 162 N 0.89 1.60 -0.19 1.53 0.00 -0.75 -0.59 119.26 121.75 1dfg h ALA 162 Ca 0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1dfg h ALA 162 Cb 0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1dfg h ALA 162 CO -0.00 0.24 -0.36 0.87 0.00 0.00 0.00 179.25 180.00 1dfg h LYS 163 N 0.92 0.40 -0.45 0.00 1.79 0.01 0.43 116.57 119.67 1dfg h LYS 163 Ca 0.39 -0.18 -0.12 0.00 -2.18 0.00 0.00 60.65 58.56 1dfg h LYS 163 Cb 0.32 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.94 1dfg h LYS 163 CO -0.16 0.71 -0.20 0.00 -1.08 0.00 0.00 179.45 178.71 1dfg h ALA 164 N 1.28 0.78 -0.30 3.86 0.00 -0.16 -0.09 119.26 124.64 1dfg h ALA 164 Ca 0.04 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1dfg h ALA 164 Cb 0.79 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1dfg h ALA 164 CO 0.06 0.66 0.17 1.03 0.00 0.00 0.00 179.25 181.17 1dfg h SER 165 N 0.79 0.37 -0.17 0.00 0.87 -0.66 -1.54 113.55 113.21 1dfg h SER 165 Ca 0.11 -0.08 0.05 0.00 -1.23 0.00 0.00 61.79 60.64 1dfg h SER 165 Cb 0.75 -0.09 -0.06 0.00 -0.44 0.00 0.00 62.40 62.56 1dfg h SER 165 CO 0.06 0.34 -0.25 0.25 -0.53 0.00 0.00 176.83 176.70 1dfg h LEU 166 N 0.37 -0.79 -1.87 2.23 5.85 -0.54 0.21 115.31 120.78 1dfg h LEU 166 Ca 0.11 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1dfg h LEU 166 Cb 0.05 0.36 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1dfg h LEU 166 CO -0.02 -0.29 -0.11 -0.33 -0.34 0.00 0.00 178.44 177.35 1dfg h GLU 167 N -0.30 0.00 -0.12 1.25 5.08 -0.75 0.08 114.58 119.83 1dfg h GLU 167 Ca 0.11 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.25 1dfg h GLU 167 Cb 0.47 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.73 1dfg h GLU 167 CO -0.34 0.11 -0.82 0.00 -1.00 0.00 0.00 179.01 176.95 1dfg h ALA 168 N 1.89 0.32 -0.35 3.43 0.00 -0.57 -3.15 119.26 120.83 1dfg h ALA 168 Ca -0.00 -0.62 0.06 0.00 0.00 0.00 0.00 54.91 54.35 1dfg h ALA 168 Cb 0.20 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 1dfg h ALA 168 CO 0.01 0.70 -0.01 -0.97 0.00 0.00 0.00 179.25 178.98 1dfg h ASN 169 N 0.48 -0.17 -0.80 0.00 -0.00 0.12 -0.42 115.58 114.80 1dfg h ASN 169 Ca -0.06 0.08 0.18 0.00 -0.00 0.00 0.00 56.30 56.50 1dfg h ASN 169 Cb 1.45 0.15 -0.11 0.00 -0.00 0.00 0.00 38.32 39.81 1dfg h ASN 169 CO 0.16 -0.05 0.27 0.58 -0.00 0.00 0.00 177.43 178.39 1dfg h VAL 170 N 0.08 0.52 -0.18 2.57 2.07 -1.07 0.20 116.25 120.44 1dfg h VAL 170 Ca 0.17 -0.12 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 1dfg h VAL 170 Cb 0.24 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1dfg h VAL 170 CO -0.30 0.06 -0.22 0.03 0.02 0.00 0.00 177.57 177.16 1dfg h ARG 171 N 0.34 0.48 -0.22 1.57 3.08 -1.30 -0.74 114.38 117.59 1dfg h ARG 171 Ca 0.46 -0.27 -0.09 0.00 0.07 0.00 0.00 59.98 60.16 1dfg h ARG 171 Cb 0.81 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 1dfg h ARG 171 CO -0.50 0.85 -0.25 1.88 -1.07 0.00 0.00 179.97 180.88 1dfg h TYR 172 N 0.13 0.47 -0.09 3.04 -1.99 0.04 -1.28 116.97 117.28 1dfg h TYR 172 Ca 0.02 -0.09 -0.07 0.00 2.00 0.00 0.00 58.73 60.59 1dfg h TYR 172 Cb 0.78 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 39.39 1dfg h TYR 172 CO 0.08 0.64 -0.22 0.52 -0.00 0.00 0.00 178.16 179.19 1dfg h MET 173 N 0.37 0.31 -0.14 4.88 2.86 -0.69 -1.87 114.93 120.64 1dfg h MET 173 Ca 0.06 -0.21 0.05 0.00 -2.06 0.00 0.00 59.70 57.54 1dfg h MET 173 Cb 0.64 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.27 1dfg h MET 173 CO 0.05 0.82 -0.27 0.00 1.06 0.00 0.00 176.91 178.56 1dfg h ALA 174 N 0.49 -0.27 -0.46 6.32 0.00 -0.95 0.14 119.26 124.53 1dfg h ALA 174 Ca -0.00 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1dfg h ALA 174 Cb 0.82 0.52 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1dfg h ALA 174 CO 0.05 -0.73 0.19 -0.97 0.00 0.00 0.00 179.25 177.79 1dfg h ASN 175 N -0.33 0.24 -0.35 0.00 -0.00 -1.25 -0.40 115.58 113.48 1dfg h ASN 175 Ca 0.10 0.04 -0.07 0.00 -0.00 0.00 0.00 56.30 56.37 1dfg h ASN 175 Cb 0.49 0.01 -0.02 0.00 -0.00 0.00 0.00 38.32 38.80 1dfg h ASN 175 CO -0.33 0.17 -0.03 0.00 -0.00 0.00 0.00 177.43 177.24 1dfg h ALA 176 N 1.28 1.12 0.00 1.57 0.00 -0.58 -3.33 119.26 119.32 1dfg h ALA 176 Ca 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1dfg h ALA 176 Cb 0.18 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1dfg h ALA 176 CO -0.19 0.56 -0.90 -1.33 0.00 0.00 0.00 179.25 177.38 1dfg n MET 177 N -4.21 1.07 -0.20 0.00 2.81 0.42 -4.56 117.12 112.44 1dfg n MET 177 Ca 0.02 -0.01 -0.03 0.00 -1.81 0.00 0.00 57.70 55.87 1dfg n MET 177 Cb 0.31 -1.35 0.07 0.00 -0.71 0.00 0.00 33.22 31.54 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 4.16 0.84 1.78 3.03 0.00 -0.91 -1.89 103.07 110.07 1dfg h GLY 178 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1dfg h GLY 178 CO 0.00 0.14 0.09 -2.55 0.00 0.00 0.00 176.54 174.22 1dfg h PRO 179 N 0.59 0.00 -0.45 4.80 0.11 -1.81 0.50 132.00 135.74 1dfg h PRO 179 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1dfg h PRO 179 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 1dfg h PRO 179 CO -0.17 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 176.77 1dfg n GLU 180 N -2.46 2.86 0.00 1.05 0.28 -0.84 -4.95 120.64 116.59 1dfg n GLU 180 Ca -0.02 -2.24 0.00 0.00 -0.16 0.00 0.00 57.16 54.74 1dfg n GLU 180 Cb 0.13 -1.37 0.00 0.00 1.43 0.00 0.00 31.44 31.63 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 0.77 0.64 3.76 -1.84 0.00 0.16 -4.57 105.19 104.12 1dfg n GLY 181 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 5.33 0.03 1.61 1.01 -0.77 -0.82 120.40 124.79 1dfg s VAL 182 Ca 0.00 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.16 1dfg s VAL 182 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 1dfg s VAL 182 CO 0.00 0.50 -0.00 -0.13 0.00 0.00 0.00 175.10 175.46 1dfg s ARG 183 N -0.06 2.71 -0.04 2.72 0.52 -0.90 -2.82 118.95 121.08 1dfg s ARG 183 Ca 0.09 -0.68 -0.02 0.00 -0.52 0.00 0.00 55.73 54.61 1dfg s ARG 183 Cb -0.11 -2.62 0.03 0.00 0.52 0.00 0.00 34.95 32.76 1dfg s ARG 183 CO 0.00 0.60 0.05 0.08 0.02 0.00 0.00 175.30 176.04 1dfg s VAL 184 N -1.15 -0.02 0.28 3.52 1.01 -1.26 -0.61 120.40 122.18 1dfg s VAL 184 Ca 0.21 0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.58 1dfg s VAL 184 Cb -0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1dfg s VAL 184 CO 0.12 0.18 0.21 0.20 0.00 0.00 0.00 175.10 175.82 1dfg s ASN 185 N 1.97 1.13 0.05 3.32 0.01 -0.69 0.13 114.94 120.86 1dfg s ASN 185 Ca 0.03 -1.61 0.02 0.00 -0.71 0.00 0.00 52.86 50.59 1dfg s ASN 185 Cb -0.12 0.48 -0.02 0.00 0.41 0.00 0.00 41.25 41.99 1dfg s ASN 185 CO -0.03 -0.97 -0.08 0.00 -1.51 0.00 0.00 177.10 174.51 1dfg s ALA 186 N -3.71 0.63 -0.16 0.60 0.00 0.97 -2.35 121.76 117.74 1dfg s ALA 186 Ca 0.40 -0.79 -0.02 0.00 0.00 0.00 0.00 51.96 51.54 1dfg s ALA 186 Cb 0.04 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 1dfg s ALA 186 CO 0.21 -0.01 -0.07 0.42 0.00 0.00 0.00 175.76 176.31 1dfg s ILE 187 N -1.40 3.45 -0.51 0.00 1.01 -0.40 -0.53 121.20 122.81 1dfg s ILE 187 Ca -0.09 -0.51 -0.14 0.00 0.00 0.00 0.00 60.65 59.91 1dfg s ILE 187 Cb -0.10 -2.50 0.12 0.00 0.01 0.00 0.00 42.46 39.99 1dfg s ILE 187 CO 0.00 0.49 0.44 -0.55 0.00 0.00 0.00 174.94 175.33 1dfg s SER 188 N 0.59 6.07 0.32 3.58 0.15 0.51 -0.23 113.70 124.69 1dfg s SER 188 Ca -0.05 -1.74 0.01 0.00 0.70 0.00 0.00 55.95 54.87 1dfg s SER 188 Cb -0.15 -2.16 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 1dfg s SER 188 CO 0.03 -0.78 0.51 0.00 1.20 0.00 0.00 173.24 174.20 1dfg s ALA 189 N 1.55 3.73 0.88 5.45 0.00 -1.12 -0.61 121.76 131.64 1dfg s ALA 189 Ca 0.04 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 1dfg s ALA 189 Cb -0.28 -2.07 0.14 0.00 0.00 0.00 0.00 23.12 20.91 1dfg s ALA 189 CO 0.03 0.06 1.25 0.20 0.00 0.00 0.00 175.76 177.30 1dfg s GLY 190 N -3.91 1.69 0.13 0.00 0.00 -0.43 -4.58 107.32 100.22 1dfg s GLY 190 Ca 0.39 -0.93 -0.31 0.00 0.00 0.00 0.00 44.72 43.87 1dfg s GLY 190 CO 0.34 -0.31 1.38 2.56 0.00 0.00 0.00 173.10 177.08 1dfg s PRO 191 N -5.73 4.33 -0.12 2.90 0.04 -1.26 -4.93 135.00 130.23 1dfg s PRO 191 Ca 0.68 2.08 -0.15 0.00 0.04 0.00 0.00 61.00 63.65 1dfg s PRO 191 Cb -0.07 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.18 1dfg s PRO 191 CO 0.51 -0.42 0.37 0.42 0.04 0.00 0.00 177.00 177.92 1dfg s ILE 192 N 0.97 5.22 -0.22 0.56 1.01 -1.26 -4.47 121.20 123.02 1dfg s ILE 192 Ca 0.64 0.73 -0.29 0.00 0.00 0.00 0.00 60.65 61.72 1dfg s ILE 192 Cb -0.37 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.37 1dfg s ILE 192 CO 0.31 0.41 1.67 -0.60 0.00 0.00 0.00 174.94 176.73 1dfg s ARG 193 N 0.21 3.75 0.23 2.79 3.52 -1.26 -4.95 118.95 123.24 1dfg s ARG 193 Ca 0.21 1.70 0.02 0.00 -0.13 0.00 0.00 55.73 57.53 1dfg s ARG 193 Cb -0.14 -4.07 -0.05 0.00 -1.56 0.00 0.00 34.95 29.13 1dfg s ARG 193 CO 0.08 -1.36 0.04 -0.08 -0.81 0.00 0.00 175.30 173.17 1dfg s THR 194 N 5.42 0.74 -0.13 4.11 -1.32 -1.26 -5.05 115.64 118.16 1dfg s THR 194 Ca 0.74 -2.00 -0.08 0.00 -1.21 0.00 0.00 61.69 59.14 1dfg s THR 194 Cb -0.26 -2.42 -0.26 0.00 -1.51 0.00 0.00 72.50 68.05 1dfg s THR 194 CO 0.30 -0.22 0.36 -0.11 -2.21 0.00 0.00 174.62 172.74 1dfg n LEU 195 N -0.40 2.59 0.00 9.08 7.94 -1.26 -4.95 117.00 130.00 1dfg n LEU 195 Ca -0.03 0.22 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1dfg n LEU 195 Cb 0.65 -1.11 0.00 0.00 0.53 0.00 0.00 43.42 43.49 1dfg n LEU 195 CO 0.36 0.82 0.00 0.00 -1.11 0.00 0.00 177.39 177.46 1dfg n ALA 196 N -3.03 0.00 -2.69 1.96 0.00 -1.26 -5.00 120.51 110.49 1dfg n ALA 196 Ca -0.32 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 52.86 1dfg n ALA 196 Cb 1.02 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.32 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 -2.19 1.57 0.72 0.00 0.00 -1.26 -5.12 121.76 115.48 1dfg s ALA 197 Ca 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 1dfg s ALA 197 Cb 0.00 -0.46 0.12 0.00 0.00 0.00 0.00 23.12 22.78 1dfg s ALA 197 CO 0.00 0.33 0.99 -1.12 0.00 0.00 0.00 175.76 175.97 1dfg s SER 198 N -0.20 4.39 -0.18 0.00 0.01 -1.26 -5.02 113.70 111.44 1dfg s SER 198 Ca 0.01 -0.25 -0.16 0.00 1.31 0.00 0.00 55.95 56.86 1dfg s SER 198 Cb -0.10 -0.17 -0.22 0.00 0.21 0.00 0.00 66.02 65.75 1dfg s SER 198 CO 0.01 -1.83 0.26 0.61 0.41 0.00 0.00 173.24 172.70 1dfg n GLY 199 N -2.85 -0.74 3.67 3.44 0.00 -1.26 -4.83 105.19 102.63 1dfg n GLY 199 Ca 0.14 -0.03 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 1dfg n GLY 199 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1dfg n ILE 200 N -4.10 0.60 -2.48 -0.61 -0.00 -1.26 -4.88 119.36 106.64 1dfg n ILE 200 Ca -0.32 -0.11 -0.40 0.00 -0.00 0.00 0.00 62.75 61.91 1dfg n ILE 200 Cb 0.81 -2.04 -0.04 0.00 -0.00 0.00 0.00 39.64 38.37 1dfg n ILE 200 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1dfg s LYS 201 N 3.93 4.64 -1.17 0.38 2.20 -1.25 -3.14 119.74 125.32 1dfg s LYS 201 Ca 0.90 1.79 -0.01 0.00 -0.36 0.00 0.00 55.97 58.29 1dfg s LYS 201 Cb -0.58 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 1dfg s LYS 201 CO 0.46 0.20 0.15 -0.25 -0.36 0.00 0.00 175.35 175.55 1dfg n ASP 202 N 1.31 -4.50 -0.21 1.43 9.92 -1.26 -4.87 116.55 118.37 1dfg n ASP 202 Ca -0.01 -0.08 -0.07 0.00 -0.53 0.00 0.00 54.79 54.11 1dfg n ASP 202 Cb 0.45 -3.55 0.03 0.00 -0.64 0.00 0.00 41.12 37.40 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 -0.34 0.82 -0.91 1.24 3.57 -1.94 -2.67 116.94 116.72 1dfg h PHE 203 Ca -0.35 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 61.33 1dfg h PHE 203 Cb 1.25 -0.26 -0.12 0.00 2.79 0.00 0.00 35.95 39.62 1dfg h PHE 203 CO 0.37 0.60 0.44 0.00 -2.23 0.00 0.00 178.31 177.50 1dfg h ARG 204 N 0.79 0.48 -0.05 1.11 -0.00 -1.91 -0.48 114.38 114.32 1dfg h ARG 204 Ca 0.21 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.98 59.64 1dfg h ARG 204 Cb 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 29.97 29.92 1dfg h ARG 204 CO -0.03 0.31 -0.02 1.57 0.00 0.00 0.00 179.97 181.81 1dfg h LYS 205 N 0.49 0.11 -0.79 0.04 5.09 -1.90 -2.40 116.57 117.20 1dfg h LYS 205 Ca 0.55 -0.04 0.18 0.00 0.09 0.00 0.00 60.65 61.43 1dfg h LYS 205 Cb 0.99 -0.00 -0.14 0.00 0.10 0.00 0.00 32.23 33.17 1dfg h LYS 205 CO -0.48 0.46 -0.05 1.98 -2.09 0.00 0.00 179.45 179.27 1dfg h MET 206 N -0.26 0.06 -0.48 0.07 -1.53 -0.82 0.26 114.93 112.24 1dfg h MET 206 Ca 0.01 -0.00 -0.00 0.00 -3.44 0.00 0.00 59.70 56.27 1dfg h MET 206 Cb 0.42 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.44 1dfg h MET 206 CO 0.01 0.04 0.29 -0.07 0.14 0.00 0.00 176.91 177.31 1dfg h LEU 207 N 0.06 0.58 0.20 3.39 3.38 -1.05 -1.56 115.31 120.31 1dfg h LEU 207 Ca 0.43 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1dfg h LEU 207 Cb 0.74 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1dfg h LEU 207 CO -0.74 0.46 -0.09 0.00 0.09 0.00 0.00 178.44 178.16 1dfg h ALA 208 N 1.14 -0.26 -0.26 1.53 0.00 -0.06 -2.61 119.26 118.74 1dfg h ALA 208 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1dfg h ALA 208 Cb -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1dfg h ALA 208 CO -0.03 -0.63 0.14 1.25 0.00 0.00 0.00 179.25 179.97 1dfg h HIS 209 N -0.30 0.36 -0.86 0.00 -0.00 -1.00 -3.07 115.15 110.26 1dfg h HIS 209 Ca -0.03 -0.01 0.14 0.00 -0.00 0.00 0.00 60.37 60.47 1dfg h HIS 209 Cb 0.23 -0.11 -0.09 0.00 -0.00 0.00 0.00 27.41 27.44 1dfg h HIS 209 CO -0.05 0.31 0.47 0.00 -0.00 0.00 0.00 177.93 178.66 1dfg h GLU 211 N 0.70 0.51 -0.26 0.00 5.08 -1.38 -1.63 114.58 117.60 1dfg h GLU 211 Ca 0.46 -0.22 -0.15 0.00 -1.00 0.00 0.00 59.36 58.46 1dfg h GLU 211 Cb 0.59 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1dfg h GLU 211 CO -0.33 0.76 -0.44 0.00 -1.00 0.00 0.00 179.01 178.00 1dfg h ALA 212 N 1.23 0.75 -0.40 3.43 0.00 -1.29 -3.29 119.26 119.70 1dfg h ALA 212 Ca 0.06 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1dfg h ALA 212 Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1dfg h ALA 212 CO 0.06 0.66 0.00 1.33 0.00 0.00 0.00 179.25 181.30 1dfg n VAL 213 N -4.02 0.97 -3.27 0.00 0.24 -0.89 -4.95 118.33 106.42 1dfg n VAL 213 Ca -0.02 -0.98 -0.38 0.00 -2.04 0.00 0.00 64.34 60.91 1dfg n VAL 213 Cb 0.55 0.52 -0.06 0.00 -1.47 0.00 0.00 33.84 33.38 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 -1.00 4.95 0.29 3.34 2.01 -0.62 -4.86 115.64 119.74 1dfg s THR 214 Ca 0.27 1.14 0.04 0.00 0.31 0.00 0.00 61.69 63.45 1dfg s THR 214 Cb 0.14 -3.88 0.29 0.00 0.01 0.00 0.00 72.50 69.06 1dfg s THR 214 CO 0.18 0.44 1.77 -0.65 -0.69 0.00 0.00 174.62 175.68 1dfg h PRO 215 N 5.54 0.69 -0.00 4.92 0.11 -1.82 0.61 132.00 142.05 1dfg h PRO 215 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1dfg h PRO 215 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1dfg h PRO 215 CO 0.69 0.46 -0.02 0.44 -0.21 0.00 0.00 178.00 179.35 1dfg n ILE 216 N -4.81 0.00 -3.15 4.15 -5.35 -1.20 -4.92 119.36 104.08 1dfg n ILE 216 Ca 0.22 -0.00 -0.18 0.00 -0.27 0.00 0.00 62.75 62.51 1dfg n ILE 216 Cb 0.55 -0.45 0.05 0.00 -1.74 0.00 0.00 39.64 38.05 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 -1.34 -5.28 -3.56 6.28 5.12 0.21 -4.99 116.66 113.10 1dfg n ARG 217 Ca 0.11 0.69 -0.07 0.00 -1.93 0.00 0.00 57.85 56.65 1dfg n ARG 217 Cb 0.28 -5.19 -0.02 0.00 -1.16 0.00 0.00 32.46 26.38 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 -5.79 0.85 0.56 5.56 1.70 -1.24 -4.86 118.95 115.72 1dfg s ARG 218 Ca 0.37 -0.35 -0.06 0.00 -0.47 0.00 0.00 55.73 55.22 1dfg s ARG 218 Cb -0.16 0.36 -0.01 0.00 -0.57 0.00 0.00 34.95 34.57 1dfg s ARG 218 CO 0.46 -0.37 0.87 0.95 -1.08 0.00 0.00 175.30 176.13 1dfg s THR 219 N -3.09 4.08 0.71 4.99 -4.23 -1.26 -4.78 115.64 112.05 1dfg s THR 219 Ca 0.07 0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 60.64 1dfg s THR 219 Cb -0.01 -3.60 0.10 0.00 1.34 0.00 0.00 72.50 70.33 1dfg s THR 219 CO -0.07 -0.61 0.99 0.68 -0.54 0.00 0.00 174.62 175.07 1dfg s VAL 220 N -2.93 2.27 0.35 2.29 -7.23 -1.26 -4.98 120.40 108.91 1dfg s VAL 220 Ca 0.52 -0.44 0.06 0.00 -1.81 0.00 0.00 61.98 60.31 1dfg s VAL 220 Cb -0.10 -2.83 -0.07 0.00 0.56 0.00 0.00 36.38 33.93 1dfg s VAL 220 CO 0.46 0.00 0.01 0.42 -0.31 0.00 0.00 175.10 175.68 1dfg s THR 221 N -3.19 1.63 0.09 5.32 -4.23 -1.26 -4.24 115.64 109.76 1dfg s THR 221 Ca 0.63 -2.03 0.34 0.00 -1.18 0.00 0.00 61.69 59.45 1dfg s THR 221 Cb -0.08 -2.81 0.38 0.00 1.34 0.00 0.00 72.50 71.33 1dfg s THR 221 CO 0.44 -0.06 2.00 0.16 -0.54 0.00 0.00 174.62 176.62 1dfg h ILE 222 N 2.00 0.00 0.26 2.99 3.07 -1.94 -0.07 117.51 123.82 1dfg h ILE 222 Ca -0.42 -0.38 -0.01 0.00 1.55 0.00 0.00 64.86 65.59 1dfg h ILE 222 Cb 1.24 1.33 0.00 0.00 -0.27 0.00 0.00 36.82 39.12 1dfg h ILE 222 CO 0.74 0.00 -0.12 -0.33 -1.05 0.00 0.00 178.15 177.38 1dfg h GLU 223 N 0.00 -0.33 -0.42 0.16 3.07 -1.94 0.60 114.58 115.71 1dfg h GLU 223 Ca 0.00 0.02 0.08 0.00 -0.50 0.00 0.00 59.36 58.96 1dfg h GLU 223 Cb 0.40 0.08 -0.09 0.00 -0.84 0.00 0.00 28.75 28.29 1dfg h GLU 223 CO 0.00 0.03 -0.37 -0.44 -1.40 0.00 0.00 179.01 176.83 1dfg h ASP 224 N -0.82 -1.23 -0.90 1.42 3.32 -1.82 0.12 116.42 116.51 1dfg h ASP 224 Ca -0.04 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1dfg h ASP 224 Cb 0.51 0.56 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 1dfg h ASP 224 CO 0.06 -0.34 0.56 0.58 -1.72 0.00 0.00 179.24 178.38 1dfg h VAL 225 N -0.27 1.24 -0.21 -1.35 2.07 -0.88 -2.67 116.25 114.17 1dfg h VAL 225 Ca 0.17 -0.49 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 1dfg h VAL 225 Cb 0.56 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1dfg h VAL 225 CO -0.57 0.25 -0.32 1.23 0.02 0.00 0.00 177.57 178.18 1dfg h GLY 226 N 1.24 0.46 1.36 2.17 0.00 0.22 -2.09 103.07 106.43 1dfg h GLY 226 Ca 0.32 -0.40 -0.13 0.00 0.00 0.00 0.00 47.33 47.12 1dfg h GLY 226 CO -0.06 0.37 -0.33 3.43 0.00 0.00 0.00 176.54 179.95 1dfg h ASN 227 N 0.37 0.75 -0.43 0.19 2.35 -0.54 -1.67 115.58 116.60 1dfg h ASN 227 Ca 0.05 -0.31 -0.12 0.00 -0.55 0.00 0.00 56.30 55.36 1dfg h ASN 227 Cb 0.74 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1dfg h ASN 227 CO 0.06 1.02 -0.21 0.28 -1.65 0.00 0.00 177.43 176.92 1dfg h SER 228 N 0.61 0.93 -0.79 5.81 0.02 -1.27 -2.67 113.55 116.18 1dfg h SER 228 Ca 0.07 -0.40 -0.03 0.00 -0.84 0.00 0.00 61.79 60.58 1dfg h SER 228 Cb 0.85 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.10 1dfg h SER 228 CO 0.07 1.13 0.36 0.00 -1.14 0.00 0.00 176.83 177.26 1dfg h ALA 229 N 0.83 1.03 -0.77 3.77 0.00 -1.16 0.83 119.26 123.79 1dfg h ALA 229 Ca 0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1dfg h ALA 229 Cb 0.78 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1dfg h ALA 229 CO 0.06 0.61 0.27 0.00 0.00 0.00 0.00 179.25 180.19 1dfg h ALA 230 N 1.19 1.03 -0.09 0.00 0.00 -1.23 0.52 119.26 120.69 1dfg h ALA 230 Ca 0.27 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1dfg h ALA 230 Cb 0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1dfg h ALA 230 CO -0.03 0.67 0.01 0.35 0.00 0.00 0.00 179.25 180.25 1dfg h PHE 231 N 1.13 0.16 0.00 0.00 3.57 -1.07 -1.54 116.94 119.19 1dfg h PHE 231 Ca 0.25 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1dfg h PHE 231 Cb 0.27 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.97 1dfg h PHE 231 CO 0.02 0.37 0.00 -0.07 -2.23 0.00 0.00 178.31 176.40 1dfg h LEU 232 N -0.10 0.00 -0.78 0.59 3.38 -0.46 -0.43 115.31 117.50 1dfg h LEU 232 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1dfg h LEU 232 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1dfg h LEU 232 CO 0.00 0.00 -0.47 0.00 0.09 0.00 0.00 178.44 178.06 1dfg s SER 234 N -2.23 5.67 0.16 0.00 1.04 -0.17 -4.67 113.70 113.50 1dfg s SER 234 Ca 0.14 0.24 0.17 0.00 0.48 0.00 0.00 55.95 56.98 1dfg s SER 234 Cb 0.15 -1.38 0.76 0.00 0.10 0.00 0.00 66.02 65.65 1dfg s SER 234 CO 0.52 -0.84 1.52 0.47 0.98 0.00 0.00 173.24 175.89 1dfg n ASP 235 N -2.18 0.35 0.19 7.02 8.00 -1.26 -1.75 116.55 126.92 1dfg n ASP 235 Ca 0.03 0.61 0.14 0.00 0.71 0.00 0.00 54.79 56.28 1dfg n ASP 235 Cb 0.58 -0.68 0.65 0.00 -0.02 0.00 0.00 41.12 41.65 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 -3.22 0.64 3.38 -1.88 -2.47 115.31 111.76 1dfg h LEU 236 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dfg h LEU 236 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1dfg h LEU 236 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1dfg n SER 237 N -2.47 3.83 -0.15 -0.43 3.41 -0.72 -4.74 113.62 112.35 1dfg n SER 237 Ca -0.00 -2.86 0.28 0.00 -0.26 0.00 0.00 58.87 56.03 1dfg n SER 237 Cb 0.15 -0.51 0.62 0.00 -0.26 0.00 0.00 64.21 64.21 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 1.94 2.75 -0.02 7.33 0.00 -1.61 0.17 119.26 129.82 1dfg h ALA 238 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dfg h ALA 238 Cb 1.36 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1dfg h ALA 238 CO 0.20 -1.38 -0.11 0.41 0.00 0.00 0.00 179.25 178.37 1dfg n GLY 239 N -1.66 0.06 3.38 0.00 0.00 -1.26 -4.85 105.19 100.86 1dfg n GLY 239 Ca 0.19 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.17 3.59 -0.12 -0.61 1.01 0.59 -5.09 121.20 118.40 1dfg s ILE 240 Ca 0.31 -0.43 -0.20 0.00 0.00 0.00 0.00 60.65 60.32 1dfg s ILE 240 Cb 0.20 -2.61 0.05 0.00 0.01 0.00 0.00 42.46 40.10 1dfg s ILE 240 CO 0.40 0.44 0.50 -0.55 0.00 0.00 0.00 174.94 175.73 1dfg s SER 241 N 1.10 -0.48 -0.54 3.58 0.15 -1.26 -4.75 113.70 111.50 1dfg s SER 241 Ca 0.02 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.40 1dfg s SER 241 Cb -0.15 0.76 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1dfg s SER 241 CO 0.00 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1dfg n GLY 242 N 2.01 0.77 3.84 9.45 0.00 0.35 -4.93 105.19 116.67 1dfg n GLY 242 Ca -0.17 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.31 3.18 -0.50 1.61 2.56 -1.24 -4.65 118.70 117.35 1dfg s GLU 243 Ca 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 54.97 54.43 1dfg s GLU 243 Cb 0.00 -2.92 0.13 0.00 2.00 0.00 0.00 34.13 33.34 1dfg s GLU 243 CO 0.00 0.62 0.32 0.08 -0.56 0.00 0.00 175.26 175.72 1dfg s VAL 244 N -1.35 3.63 -0.15 3.70 1.01 -1.26 -0.02 120.40 125.96 1dfg s VAL 244 Ca 0.28 -2.33 -0.25 0.00 0.00 0.00 0.00 61.98 59.69 1dfg s VAL 244 Cb -0.12 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1dfg s VAL 244 CO 0.20 -0.78 0.80 -0.69 0.00 0.00 0.00 175.10 174.64 1dfg s VAL 245 N 0.75 4.91 -0.38 2.92 1.01 0.31 -4.82 120.40 125.10 1dfg s VAL 245 Ca 0.11 1.59 -0.25 0.00 0.00 0.00 0.00 61.98 63.42 1dfg s VAL 245 Cb -0.22 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.06 1dfg s VAL 245 CO -0.04 0.07 0.91 -1.00 0.00 0.00 0.00 175.10 175.04 1dfg s HIS 246 N 1.92 3.06 -0.74 5.22 3.76 -1.26 -0.36 115.29 126.89 1dfg s HIS 246 Ca 0.38 0.69 -0.01 0.00 -0.15 0.00 0.00 55.06 55.97 1dfg s HIS 246 Cb -0.17 -3.66 0.18 0.00 1.11 0.00 0.00 32.58 30.05 1dfg s HIS 246 CO 0.13 -0.85 0.57 0.08 -0.85 0.00 0.00 174.74 173.83 1dfg s VAL 247 N 3.46 3.79 0.00 -0.90 1.01 0.22 -4.69 120.40 123.29 1dfg s VAL 247 Ca 0.37 -3.53 0.04 0.00 0.00 0.00 0.00 61.98 58.86 1dfg s VAL 247 Cb -0.12 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 32.90 1dfg s VAL 247 CO 0.19 -0.97 0.87 -0.90 0.00 0.00 0.00 175.10 174.29 1dfg n ASP 248 N 2.79 0.03 -1.81 3.32 5.75 -1.26 -1.32 116.55 124.05 1dfg n ASP 248 Ca 0.15 -1.68 -0.20 0.00 -0.01 0.00 0.00 54.79 53.04 1dfg n ASP 248 Cb 0.37 -0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.30 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 0.08 1.23 1.12 6.12 0.00 -1.26 -2.38 105.19 110.10 1dfg n GLY 249 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.54 0.75 0.22 -0.02 0.00 -1.26 -3.22 105.19 101.12 1dfg n GLY 250 Ca -0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.43 -0.27 1.61 3.57 -1.80 -2.04 116.94 117.58 1dfg h PHE 251 Ca 0.00 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1dfg h PHE 251 Cb 0.00 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 1dfg h PHE 251 CO 0.00 -0.25 0.20 0.66 -2.23 0.00 0.00 178.31 176.69 1dfg h SER 252 N -0.14 0.00 0.24 0.41 4.64 -1.94 -2.65 113.55 114.11 1dfg h SER 252 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1dfg h SER 252 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1dfg h SER 252 CO -0.38 0.00 -0.19 2.30 -0.87 0.00 0.00 176.83 177.69 1dfg n ILE 253 N -4.36 0.00 -3.60 0.95 -6.64 -0.77 -4.90 119.36 100.04 1dfg n ILE 253 Ca 0.03 -0.12 -0.20 0.00 -1.77 0.00 0.00 62.75 60.70 1dfg n ILE 253 Cb 0.36 0.27 -0.02 0.00 -1.44 0.00 0.00 39.64 38.81 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 -2.44 4.09 -0.23 -1.28 0.00 -1.00 -5.13 121.76 115.76 1dfg s ALA 254 Ca 0.27 -1.54 -0.22 0.00 0.00 0.00 0.00 51.96 50.47 1dfg s ALA 254 Cb 0.20 -1.48 0.06 0.00 0.00 0.00 0.00 23.12 21.90 1dfg s ALA 254 CO 0.49 -0.02 0.63 0.00 0.00 0.00 0.00 175.76 176.87 1dfg s ALA 255 N -2.22 -1.57 -1.82 0.00 0.00 -1.26 -4.93 121.76 109.95 1dfg s ALA 255 Ca 0.43 1.76 0.00 0.00 0.00 0.00 0.00 51.96 54.15 1dfg s ALA 255 Cb -0.08 -0.99 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1dfg s ALA 255 CO 0.29 -0.30 0.00 -1.33 0.00 0.00 0.00 175.76 174.42 1dfg n MET 256 N 2.64 -1.45 0.00 0.00 2.81 -1.26 -4.75 117.12 115.11 1dfg n MET 256 Ca -0.14 1.01 0.00 0.00 -1.81 0.00 0.00 57.70 56.76 1dfg n MET 256 Cb 0.56 -5.38 0.00 0.00 -0.71 0.00 0.00 33.22 27.68 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 -1.12 0.00 0.00 7.83 5.03 -1.26 -5.23 115.26 120.51 1dfg n ASN 257 Ca -0.18 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1dfg n ASN 257 Cb 0.59 -0.18 0.00 0.00 -1.02 0.00 0.00 39.78 39.16 1dfg n ASN 257 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81