#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dfh n PHE 3 N 0.00 0.00 -0.03 1.61 1.16 -1.13 -2.71 117.46 116.37 1dfh n PHE 3 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.63 1dfh n PHE 3 Cb 0.00 -0.12 0.12 0.00 -1.61 0.00 0.00 39.48 37.87 1dfh n PHE 3 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1dfh n LEU 4 N -1.12 2.63 -4.68 5.98 4.77 -0.40 -4.57 117.00 119.61 1dfh n LEU 4 Ca 0.18 -1.77 -0.46 0.00 -0.03 0.00 0.00 56.01 53.94 1dfh n LEU 4 Cb 0.15 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1dfh n LEU 4 CO 0.19 0.63 1.28 -1.20 -1.33 0.00 0.00 177.39 176.96 1dfh n SER 5 N 0.47 3.32 0.00 -1.43 7.64 -1.03 -1.13 113.62 121.46 1dfh n SER 5 Ca 0.10 1.05 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1dfh n SER 5 Cb 0.38 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 1dfh n SER 5 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dfh n GLY 6 N 3.70 0.70 3.88 0.23 0.00 -1.25 -4.97 105.19 107.49 1dfh n GLY 6 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1dfh n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dfh s LYS 7 N -0.60 3.57 -0.24 1.61 -0.14 -0.29 -4.96 119.74 118.69 1dfh s LYS 7 Ca 0.00 -0.09 -0.02 0.00 -1.36 0.00 0.00 55.97 54.50 1dfh s LYS 7 Cb 0.00 -3.09 0.02 0.00 -1.68 0.00 0.00 37.83 33.09 1dfh s LYS 7 CO 0.00 0.66 -0.06 1.03 -0.76 0.00 0.00 175.35 176.21 1dfh s ARG 8 N -1.73 2.91 -0.04 1.68 0.52 -1.26 0.67 118.95 121.70 1dfh s ARG 8 Ca 0.27 -0.93 0.04 0.00 -0.52 0.00 0.00 55.73 54.59 1dfh s ARG 8 Cb -0.13 -2.98 -0.00 0.00 0.52 0.00 0.00 34.95 32.36 1dfh s ARG 8 CO 0.16 -0.37 -0.16 0.42 0.02 0.00 0.00 175.30 175.37 1dfh s ILE 9 N 1.35 1.34 -0.15 1.52 1.01 0.35 -0.71 121.20 125.90 1dfh s ILE 9 Ca 0.01 -0.67 -0.18 0.00 0.00 0.00 0.00 60.65 59.81 1dfh s ILE 9 Cb -0.16 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 1dfh s ILE 9 CO -0.05 0.39 0.50 -0.22 0.00 0.00 0.00 174.94 175.56 1dfh s LEU 10 N 0.05 4.22 -0.18 2.97 2.96 -0.84 -1.87 118.68 125.99 1dfh s LEU 10 Ca -0.04 0.76 -0.02 0.00 -0.22 0.00 0.00 54.13 54.62 1dfh s LEU 10 Cb -0.11 -2.71 -0.01 0.00 0.50 0.00 0.00 46.19 43.87 1dfh s LEU 10 CO 0.02 -0.08 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.17 1dfh s VAL 11 N 1.09 3.02 0.30 1.68 1.01 -0.35 -0.47 120.40 126.68 1dfh s VAL 11 Ca 0.25 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1dfh s VAL 11 Cb -0.15 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 1dfh s VAL 11 CO 0.10 0.48 0.27 0.42 0.00 0.00 0.00 175.10 176.37 1dfh s THR 12 N 1.00 3.95 -1.10 3.92 -4.23 -0.86 -2.13 115.64 116.19 1dfh s THR 12 Ca -0.01 -1.35 -0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1dfh s THR 12 Cb -0.15 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1dfh s THR 12 CO -0.01 -0.24 0.93 0.61 -0.54 0.00 0.00 174.62 175.36 1dfh n GLY 13 N -1.32 -0.30 3.64 3.99 0.00 -1.26 -4.12 105.19 105.82 1dfh n GLY 13 Ca -0.04 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1dfh n GLY 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dfh s VAL 14 N -3.31 4.96 0.00 1.61 1.01 -1.26 -4.59 120.40 118.82 1dfh s VAL 14 Ca 0.14 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.39 1dfh s VAL 14 Cb -0.06 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1dfh s VAL 14 CO 0.64 0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.78 1dfh n ALA 15 N 5.55 1.76 -3.84 5.51 0.00 -1.26 -4.85 120.51 123.38 1dfh n ALA 15 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1dfh n ALA 15 Cb 0.49 0.09 0.02 0.00 0.00 0.00 0.00 19.45 20.04 1dfh n ALA 15 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1dfh s SER 16 N -2.11 -0.01 0.00 0.00 1.04 -1.26 -4.96 113.70 106.40 1dfh s SER 16 Ca 0.00 -0.93 0.22 0.00 0.48 0.00 0.00 55.95 55.72 1dfh s SER 16 Cb 0.00 0.71 0.97 0.00 0.10 0.00 0.00 66.02 67.80 1dfh s SER 16 CO 0.00 -1.40 1.72 0.29 0.98 0.00 0.00 173.24 174.83 1dfh n LYS 17 N -0.59 0.03 0.11 4.02 5.02 -1.26 -2.19 118.16 123.31 1dfh n LYS 17 Ca -0.06 0.11 0.12 0.00 -2.02 0.00 0.00 58.31 56.46 1dfh n LYS 17 Cb 0.60 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 34.14 1dfh n LYS 17 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1dfh h LEU 18 N 0.00 0.00 -9.77 -0.35 3.38 -2.00 -3.45 115.31 103.12 1dfh h LEU 18 Ca 0.00 -0.02 -0.55 0.00 0.09 0.00 0.00 57.88 57.40 1dfh h LEU 18 Cb 0.37 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.21 1dfh h LEU 18 CO 0.00 0.01 0.76 -1.20 0.09 0.00 0.00 178.44 178.10 1dfh n SER 19 N -2.67 3.48 -0.33 -0.43 7.64 -0.93 -4.88 113.62 115.50 1dfh n SER 19 Ca 0.01 1.17 0.09 0.00 1.01 0.00 0.00 58.87 61.15 1dfh n SER 19 Cb 0.54 -1.55 0.26 0.00 -1.01 0.00 0.00 64.21 62.45 1dfh n SER 19 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1dfh h ILE 20 N 3.10 0.76 -0.46 0.44 2.04 -1.89 -0.92 117.51 120.58 1dfh h ILE 20 Ca -0.47 -0.26 0.06 0.00 1.00 0.00 0.00 64.86 65.19 1dfh h ILE 20 Cb 1.25 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1dfh h ILE 20 CO 0.73 0.14 0.31 0.00 0.00 0.00 0.00 178.15 179.33 1dfh h ALA 21 N 1.59 1.97 -0.60 1.87 0.00 -1.87 -0.86 119.26 121.35 1dfh h ALA 21 Ca 0.51 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 1dfh h ALA 21 Cb 0.71 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1dfh h ALA 21 CO -0.35 -0.05 0.24 -0.92 0.00 0.00 0.00 179.25 178.16 1dfh h TYR 22 N 0.36 0.93 -0.33 0.00 3.20 -1.42 0.38 116.97 120.09 1dfh h TYR 22 Ca 0.20 -0.07 -0.09 0.00 3.14 0.00 0.00 58.73 61.91 1dfh h TYR 22 Cb 0.34 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 1dfh h TYR 22 CO -0.00 0.74 -0.17 0.78 -1.64 0.00 0.00 178.16 177.88 1dfh h GLY 23 N 0.84 0.64 0.71 1.82 0.00 -1.10 -0.33 103.07 105.65 1dfh h GLY 23 Ca 0.20 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 46.95 1dfh h GLY 23 CO -0.02 0.45 -0.32 -2.22 0.00 0.00 0.00 176.54 174.43 1dfh h ILE 24 N 0.53 1.41 -0.47 2.60 2.04 -0.82 -2.81 117.51 120.01 1dfh h ILE 24 Ca 0.09 -1.70 0.02 0.00 1.00 0.00 0.00 64.86 64.27 1dfh h ILE 24 Cb 0.59 2.27 -0.03 0.00 -0.74 0.00 0.00 36.82 38.91 1dfh h ILE 24 CO 0.04 0.49 0.28 0.00 0.00 0.00 0.00 178.15 178.96 1dfh h ALA 25 N 0.45 0.59 -0.47 1.87 0.00 -0.08 -1.24 119.26 120.38 1dfh h ALA 25 Ca -0.02 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1dfh h ALA 25 Cb 0.96 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.55 1dfh h ALA 25 CO 0.07 -0.03 0.07 1.96 0.00 0.00 0.00 179.25 181.31 1dfh h GLN 26 N 0.55 0.19 -0.09 0.00 4.20 -1.07 0.44 115.11 119.33 1dfh h GLN 26 Ca 0.19 -0.01 -0.19 0.00 0.06 0.00 0.00 58.65 58.69 1dfh h GLN 26 Cb 0.01 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1dfh h GLN 26 CO -0.09 0.12 -0.74 0.00 -0.67 0.00 0.00 178.83 177.46 1dfh h ALA 27 N 1.38 0.55 -0.33 3.87 0.00 -1.17 -0.68 119.26 122.88 1dfh h ALA 27 Ca 0.24 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1dfh h ALA 27 Cb 0.33 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1dfh h ALA 27 CO -0.33 0.75 -0.26 0.52 0.00 0.00 0.00 179.25 179.93 1dfh h MET 28 N 0.32 0.66 -0.23 0.00 2.86 -0.88 -1.87 114.93 115.79 1dfh h MET 28 Ca -0.03 -0.27 -0.16 0.00 -2.06 0.00 0.00 59.70 57.17 1dfh h MET 28 Cb 1.32 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 1dfh h MET 28 CO 0.13 0.86 -0.50 1.25 1.06 0.00 0.00 176.91 179.71 1dfh h HIS 29 N 0.58 0.80 0.00 -0.22 6.17 -0.71 -1.16 115.15 120.61 1dfh h HIS 29 Ca 0.08 -0.27 -0.05 0.00 0.71 0.00 0.00 60.37 60.84 1dfh h HIS 29 Cb 0.74 -0.16 -0.01 0.00 2.52 0.00 0.00 27.41 30.51 1dfh h HIS 29 CO 0.03 1.02 -0.23 -0.09 0.71 0.00 0.00 177.93 179.37 1dfh h ARG 30 N 0.51 0.00 -0.25 5.26 2.43 -0.78 -1.41 114.38 120.15 1dfh h ARG 30 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1dfh h ARG 30 Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 1dfh h ARG 30 CO 0.10 0.23 0.00 0.39 -1.51 0.00 0.00 179.97 179.18 1dfh n GLU 31 N -3.92 1.88 -0.04 0.20 -0.58 -0.73 -4.75 120.64 112.69 1dfh n GLU 31 Ca -0.02 -1.34 0.00 0.00 -0.42 0.00 0.00 57.16 55.39 1dfh n GLU 31 Cb 0.31 -1.39 0.00 0.00 -0.57 0.00 0.00 31.44 29.79 1dfh n GLU 31 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dfh n GLY 32 N 1.19 0.70 3.79 0.62 0.00 -0.53 -1.27 105.19 109.69 1dfh n GLY 32 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1dfh n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dfh s ALA 33 N -2.05 2.69 -0.12 4.61 0.00 -0.47 -3.87 121.76 122.55 1dfh s ALA 33 Ca 0.00 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.25 1dfh s ALA 33 Cb 0.00 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 1dfh s ALA 33 CO 0.00 -0.88 0.40 -1.21 0.00 0.00 0.00 175.76 174.07 1dfh s GLU 34 N -4.00 4.24 0.16 0.00 2.02 0.21 -4.60 118.70 116.73 1dfh s GLU 34 Ca 0.65 0.31 0.08 0.00 0.02 0.00 0.00 54.97 56.03 1dfh s GLU 34 Cb -0.17 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.62 1dfh s GLU 34 CO 0.37 0.27 -0.09 -0.51 0.02 0.00 0.00 175.26 175.32 1dfh s LEU 35 N 0.29 2.99 0.08 1.80 1.43 -1.26 -0.50 118.68 123.51 1dfh s LEU 35 Ca 0.22 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 1dfh s LEU 35 Cb -0.15 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1dfh s LEU 35 CO 0.08 0.12 -0.07 0.00 0.23 0.00 0.00 176.35 176.71 1dfh s ALA 36 N -1.58 0.86 0.04 4.21 0.00 -0.78 -4.62 121.76 119.89 1dfh s ALA 36 Ca 0.24 -1.14 0.02 0.00 0.00 0.00 0.00 51.96 51.08 1dfh s ALA 36 Cb -0.09 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.11 1dfh s ALA 36 CO 0.15 -0.14 -0.08 -0.06 0.00 0.00 0.00 175.76 175.64 1dfh s PHE 37 N -2.73 0.65 0.26 0.00 0.40 -0.23 -1.21 117.98 115.12 1dfh s PHE 37 Ca 0.04 -0.49 0.12 0.00 -0.60 0.00 0.00 56.93 56.00 1dfh s PHE 37 Cb -0.01 -0.39 -0.05 0.00 0.51 0.00 0.00 43.02 43.08 1dfh s PHE 37 CO -0.02 -0.09 -0.20 0.95 0.70 0.00 0.00 175.22 176.56 1dfh s THR 38 N -1.35 2.49 0.02 0.64 -4.23 -0.91 -1.18 115.64 111.13 1dfh s THR 38 Ca -0.10 -2.30 0.02 0.00 -1.18 0.00 0.00 61.69 58.13 1dfh s THR 38 Cb -0.10 -2.28 -0.01 0.00 1.34 0.00 0.00 72.50 71.45 1dfh s THR 38 CO 0.00 -0.33 -0.07 -0.72 -0.54 0.00 0.00 174.62 172.96 1dfh s TYR 39 N -2.31 0.63 0.06 3.99 1.13 0.22 -4.41 117.35 116.66 1dfh s TYR 39 Ca 0.28 -0.28 -0.17 0.00 -1.41 0.00 0.00 57.07 55.50 1dfh s TYR 39 Cb -0.06 -0.39 -0.16 0.00 -1.10 0.00 0.00 41.96 40.25 1dfh s TYR 39 CO 0.14 -0.03 1.27 0.37 -2.51 0.00 0.00 175.55 174.79 1dfh h GLN 40 N 5.33 0.59 -3.70 -3.49 4.15 -1.89 0.65 115.11 116.75 1dfh h GLN 40 Ca -0.32 -0.45 -0.07 0.00 0.77 0.00 0.00 58.65 58.57 1dfh h GLN 40 Cb 1.19 0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.88 1dfh h GLN 40 CO 0.46 1.08 -0.13 0.54 -1.93 0.00 0.00 178.83 178.84 1dfh s ASN 41 N -6.73 -0.03 0.31 -0.69 2.20 -1.26 -4.32 114.94 104.42 1dfh s ASN 41 Ca -0.12 -0.98 0.03 0.00 -0.94 0.00 0.00 52.86 50.85 1dfh s ASN 41 Cb 0.07 0.59 0.63 0.00 -2.00 0.00 0.00 41.25 40.53 1dfh s ASN 41 CO 0.84 -1.15 1.85 0.44 -2.94 0.00 0.00 177.10 176.14 1dfh h ASP 42 N 2.26 0.85 0.15 3.54 3.32 -2.01 -0.34 116.42 124.18 1dfh h ASP 42 Ca -0.27 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1dfh h ASP 42 Cb 1.25 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1dfh h ASP 42 CO 0.36 0.45 0.00 1.17 -1.72 0.00 0.00 179.24 179.50 1dfh n LYS 43 N -4.59 0.10 -0.01 3.56 4.81 -1.26 -2.61 118.16 118.16 1dfh n LYS 43 Ca 0.18 0.54 0.08 0.00 -0.87 0.00 0.00 58.31 58.24 1dfh n LYS 43 Cb 0.38 -1.78 -0.12 0.00 0.02 0.00 0.00 35.03 33.53 1dfh n LYS 43 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1dfh n LEU 44 N -1.98 0.00 -0.30 3.14 4.77 -0.15 -4.75 117.00 117.74 1dfh n LEU 44 Ca -0.00 -0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.90 1dfh n LEU 44 Cb 0.06 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1dfh n LEU 44 CO 0.09 0.00 0.55 0.50 -1.33 0.00 0.00 177.39 177.20 1dfh h LYS 45 N 0.00 -0.12 0.13 3.23 3.64 -1.29 -2.53 116.57 119.62 1dfh h LYS 45 Ca 0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1dfh h LYS 45 Cb 0.71 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1dfh h LYS 45 CO 0.00 -0.08 -0.36 0.78 -2.27 0.00 0.00 179.45 177.52 1dfh h GLY 46 N -0.12 -1.17 -0.67 5.01 0.00 -1.85 -0.55 103.07 103.71 1dfh h GLY 46 Ca 0.22 0.59 0.06 0.00 0.00 0.00 0.00 47.33 48.20 1dfh h GLY 46 CO -0.82 -0.33 -0.44 3.21 0.00 0.00 0.00 176.54 178.16 1dfh h ARG 47 N -0.55 -0.05 -0.74 4.80 3.08 -1.84 0.85 114.38 119.93 1dfh h ARG 47 Ca -0.01 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.15 1dfh h ARG 47 Cb 0.54 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.52 1dfh h ARG 47 CO -0.18 -0.03 0.36 0.28 -1.07 0.00 0.00 179.97 179.33 1dfh h VAL 48 N -0.05 0.79 -0.37 2.04 2.07 -1.35 0.19 116.25 119.56 1dfh h VAL 48 Ca 0.11 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.44 1dfh h VAL 48 Cb 0.33 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 1dfh h VAL 48 CO -0.65 0.11 0.25 -0.33 0.02 0.00 0.00 177.57 176.96 1dfh h GLU 49 N 0.58 0.44 0.36 1.57 5.08 0.70 0.15 114.58 123.46 1dfh h GLU 49 Ca 0.38 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.70 1dfh h GLU 49 Cb 0.46 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1dfh h GLU 49 CO -0.31 0.29 -0.17 0.93 -1.00 0.00 0.00 179.01 178.75 1dfh h GLU 50 N 0.46 -0.46 -0.70 2.33 5.08 0.15 -2.84 114.58 118.59 1dfh h GLU 50 Ca 0.14 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.66 1dfh h GLU 50 Cb 0.02 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.29 1dfh h GLU 50 CO -0.03 -0.15 0.28 0.74 -1.00 0.00 0.00 179.01 178.85 1dfh h PHE 51 N -0.95 0.48 -0.40 4.33 0.04 -0.57 -1.19 116.94 118.69 1dfh h PHE 51 Ca -0.05 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.80 1dfh h PHE 51 Cb 0.53 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.53 1dfh h PHE 51 CO 0.03 0.09 0.16 0.00 -0.60 0.00 0.00 178.31 177.99 1dfh h ALA 52 N 1.49 0.49 -0.36 2.45 0.00 -0.79 -1.82 119.26 120.72 1dfh h ALA 52 Ca 0.37 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.38 1dfh h ALA 52 Cb 0.51 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1dfh h ALA 52 CO -0.36 -0.22 0.03 0.00 0.00 0.00 0.00 179.25 178.69 1dfh h ALA 53 N 1.25 0.34 0.00 0.00 0.00 -1.07 0.25 119.26 120.03 1dfh h ALA 53 Ca 0.18 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 1dfh h ALA 53 Cb 0.14 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1dfh h ALA 53 CO -0.17 -0.38 -0.01 1.96 0.00 0.00 0.00 179.25 180.66 1dfh h GLN 54 N 0.13 0.00 -0.38 0.00 4.20 -0.71 -1.79 115.11 116.56 1dfh h GLN 54 Ca 0.17 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.86 1dfh h GLN 54 Cb 0.23 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1dfh h GLN 54 CO -0.27 0.01 0.02 1.28 -0.67 0.00 0.00 178.83 179.20 1dfh n LEU 55 N -3.54 4.56 -1.46 1.46 7.99 0.25 -4.95 117.00 121.31 1dfh n LEU 55 Ca -0.03 -3.05 -0.11 0.00 -0.01 0.00 0.00 56.01 52.81 1dfh n LEU 55 Cb 0.09 -0.60 0.01 0.00 -0.11 0.00 0.00 43.42 42.80 1dfh n LEU 55 CO 0.25 0.70 -0.07 0.61 -1.51 0.00 0.00 177.39 177.36 1dfh n GLY 56 N -0.21 -0.02 3.18 -0.72 0.00 -0.67 -4.85 105.19 101.90 1dfh n GLY 56 Ca 0.25 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1dfh n GLY 56 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dfh s SER 57 N -2.67 2.17 0.00 1.61 0.15 0.63 -4.89 113.70 110.70 1dfh s SER 57 Ca 0.07 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.41 1dfh s SER 57 Cb -0.03 -0.24 0.08 0.00 -1.71 0.00 0.00 66.02 64.12 1dfh s SER 57 CO 0.09 0.22 1.06 -0.90 1.20 0.00 0.00 173.24 174.92 1dfh n ASP 58 N 2.60 2.23 -4.43 5.45 5.75 -1.26 -3.12 116.55 123.77 1dfh n ASP 58 Ca -0.15 -1.98 -0.44 0.00 -0.01 0.00 0.00 54.79 52.21 1dfh n ASP 58 Cb 0.54 -0.06 -0.05 0.00 -1.03 0.00 0.00 41.12 40.52 1dfh n ASP 58 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1dfh s ILE 59 N -0.99 4.71 -0.26 2.12 1.01 -1.26 -4.98 121.20 121.55 1dfh s ILE 59 Ca 0.06 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 1dfh s ILE 59 Cb 0.03 -4.46 0.09 0.00 0.01 0.00 0.00 42.46 38.13 1dfh s ILE 59 CO 0.04 -1.07 0.10 -0.69 0.00 0.00 0.00 174.94 173.32 1dfh s VAL 60 N 3.04 0.27 0.06 2.92 1.01 -1.26 -1.07 120.40 125.38 1dfh s VAL 60 Ca 0.17 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.44 1dfh s VAL 60 Cb -0.20 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1dfh s VAL 60 CO 0.10 -0.55 -0.20 -0.76 0.00 0.00 0.00 175.10 173.69 1dfh s LEU 61 N 1.94 2.52 0.34 3.92 1.43 -0.33 -4.98 118.68 123.53 1dfh s LEU 61 Ca 0.06 -0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 52.42 1dfh s LEU 61 Cb -0.16 -1.46 -0.10 0.00 0.03 0.00 0.00 46.19 44.50 1dfh s LEU 61 CO -0.25 0.23 0.91 -1.58 0.23 0.00 0.00 176.35 175.90 1dfh s GLN 62 N -1.60 4.45 -0.30 1.70 -0.44 -1.26 -0.61 119.66 121.59 1dfh s GLN 62 Ca 0.15 1.20 -0.11 0.00 -2.50 0.00 0.00 55.36 54.10 1dfh s GLN 62 Cb -0.10 -2.66 0.14 0.00 -1.64 0.00 0.00 33.01 28.75 1dfh s GLN 62 CO 0.06 0.22 0.71 0.00 0.50 0.00 0.00 175.29 176.77 1dfh s ASP 64 N 2.83 5.07 0.00 0.00 -1.08 -1.26 -4.04 116.67 118.18 1dfh s ASP 64 Ca -0.05 -1.38 0.03 0.00 -0.52 0.00 0.00 52.55 50.63 1dfh s ASP 64 Cb -0.11 -1.77 0.15 0.00 -1.46 0.00 0.00 42.92 39.73 1dfh s ASP 64 CO -0.19 -0.33 1.00 1.33 0.52 0.00 0.00 175.17 177.50 1dfh n VAL 65 N 4.67 1.35 0.64 1.11 0.24 -1.26 -1.19 118.33 123.89 1dfh n VAL 65 Ca -0.11 0.34 0.12 0.00 -2.04 0.00 0.00 64.34 62.65 1dfh n VAL 65 Cb 0.43 -1.28 0.46 0.00 -1.47 0.00 0.00 33.84 31.98 1dfh n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1dfh n ALA 66 N -1.38 2.03 -4.00 2.33 0.00 -1.26 -4.68 120.51 113.56 1dfh n ALA 66 Ca 0.01 -0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 1dfh n ALA 66 Cb 0.03 -1.41 -0.15 0.00 0.00 0.00 0.00 19.45 17.92 1dfh n ALA 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1dfh s GLU 67 N -3.11 2.95 0.14 0.00 0.41 -0.33 -5.01 118.70 113.75 1dfh s GLU 67 Ca 0.09 -0.87 -0.18 0.00 -0.41 0.00 0.00 54.97 53.61 1dfh s GLU 67 Cb 0.13 -2.69 0.00 0.00 -1.78 0.00 0.00 34.13 29.79 1dfh s GLU 67 CO 0.47 -0.26 1.76 -0.44 -0.49 0.00 0.00 175.26 176.30 1dfh h ASP 68 N 7.95 0.18 -0.32 -0.19 5.19 -1.84 -1.16 116.42 126.24 1dfh h ASP 68 Ca -0.42 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 55.99 1dfh h ASP 68 Cb 1.13 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.61 1dfh h ASP 68 CO 0.61 0.14 0.13 0.00 -3.12 0.00 0.00 179.24 177.00 1dfh h ALA 69 N 1.16 1.52 -0.55 3.45 0.00 -1.95 -0.15 119.26 122.74 1dfh h ALA 69 Ca 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1dfh h ALA 69 Cb 0.06 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1dfh h ALA 69 CO -0.10 0.37 0.28 1.03 0.00 0.00 0.00 179.25 180.83 1dfh h SER 70 N 0.54 0.70 -0.46 0.00 0.87 -1.52 -0.46 113.55 113.21 1dfh h SER 70 Ca 0.13 -0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.46 1dfh h SER 70 Cb 0.15 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1dfh h SER 70 CO -0.01 0.61 -0.17 0.40 -0.53 0.00 0.00 176.83 177.13 1dfh h ILE 71 N 0.74 1.27 -0.20 2.23 2.04 -0.26 -2.23 117.51 121.09 1dfh h ILE 71 Ca 0.19 -1.32 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1dfh h ILE 71 Cb 0.08 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 1dfh h ILE 71 CO -0.03 0.45 0.09 0.44 0.00 0.00 0.00 178.15 179.11 1dfh h ASP 72 N 0.77 0.27 -0.66 1.72 3.32 -0.80 -2.56 116.42 118.48 1dfh h ASP 72 Ca 0.11 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.03 1dfh h ASP 72 Cb 0.74 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 1dfh h ASP 72 CO 0.06 0.34 0.43 0.74 -1.72 0.00 0.00 179.24 179.09 1dfh h THR 73 N 0.19 1.14 -0.62 0.35 2.02 -1.05 -1.14 112.91 113.80 1dfh h THR 73 Ca 0.07 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1dfh h THR 73 Cb 0.14 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 1dfh h THR 73 CO -0.01 0.16 0.34 -0.03 0.37 0.00 0.00 175.52 176.35 1dfh h MET 74 N 0.86 0.87 0.00 6.66 1.85 -1.23 -0.96 114.93 122.97 1dfh h MET 74 Ca 0.25 -0.10 -0.07 0.00 -0.61 0.00 0.00 59.70 59.17 1dfh h MET 74 Cb -0.05 -0.17 -0.01 0.00 0.43 0.00 0.00 31.60 31.80 1dfh h MET 74 CO -0.07 0.65 -0.36 0.74 -0.40 0.00 0.00 176.91 177.48 1dfh h PHE 75 N 0.85 0.00 0.07 1.39 0.04 -1.11 0.59 116.94 118.77 1dfh h PHE 75 Ca 0.22 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.99 1dfh h PHE 75 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1dfh h PHE 75 CO -0.01 0.36 -0.04 0.00 -0.60 0.00 0.00 178.31 178.02 1dfh h ALA 76 N 1.64 -0.10 0.06 2.45 0.00 -0.41 0.37 119.26 123.28 1dfh h ALA 76 Ca -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1dfh h ALA 76 Cb 0.86 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1dfh h ALA 76 CO 0.05 -0.43 -0.03 0.93 0.00 0.00 0.00 179.25 179.76 1dfh h GLU 77 N -0.34 -0.08 -0.56 0.00 4.39 -1.04 -2.64 114.58 114.30 1dfh h GLU 77 Ca -0.01 0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.80 1dfh h GLU 77 Cb 0.30 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 28.88 1dfh h GLU 77 CO 0.02 -0.05 0.07 1.25 -1.16 0.00 0.00 179.01 179.13 1dfh h LEU 78 N -0.09 -0.11 -2.39 1.33 5.85 -0.77 -0.09 115.31 119.05 1dfh h LEU 78 Ca -0.01 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1dfh h LEU 78 Cb 0.07 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1dfh h LEU 78 CO 0.01 -0.04 0.20 1.23 -0.34 0.00 0.00 178.44 179.51 1dfh h GLY 79 N 0.19 0.00 2.00 3.75 0.00 -0.55 0.36 103.07 108.82 1dfh h GLY 79 Ca 0.29 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.57 1dfh h GLY 79 CO -0.42 0.00 -0.25 0.50 0.00 0.00 0.00 176.54 176.37 1dfh h LYS 80 N 0.00 0.00 0.00 4.80 1.57 -0.90 -3.16 116.57 118.89 1dfh h LYS 80 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1dfh h LYS 80 Cb 0.40 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1dfh h LYS 80 CO 0.00 0.25 -1.29 1.33 -0.57 0.00 0.00 179.45 179.17 1dfh n VAL 81 N -3.90 0.29 -3.83 0.50 0.24 0.31 -4.84 118.33 107.10 1dfh n VAL 81 Ca -0.02 -0.15 -0.28 0.00 -2.04 0.00 0.00 64.34 61.85 1dfh n VAL 81 Cb 0.33 -0.80 -0.12 0.00 -1.47 0.00 0.00 33.84 31.78 1dfh n VAL 81 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1dfh s TRP 82 N -2.10 3.19 0.45 6.34 0.52 0.10 -4.93 118.94 122.52 1dfh s TRP 82 Ca -0.04 -3.18 0.16 0.00 0.02 0.00 0.00 56.10 53.06 1dfh s TRP 82 Cb 0.01 -2.47 1.10 0.00 -1.15 0.00 0.00 33.47 30.97 1dfh s TRP 82 CO 0.15 -0.60 1.99 -1.35 0.02 0.00 0.00 176.95 177.16 1dfh h PRO 83 N 5.53 0.31 -4.33 4.98 0.11 -1.76 -3.35 132.00 133.49 1dfh h PRO 83 Ca 0.14 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.98 1dfh h PRO 83 Cb 0.79 -0.07 -0.22 0.00 0.11 0.00 0.00 31.00 31.60 1dfh h PRO 83 CO 0.67 0.21 -0.73 0.15 -0.21 0.00 0.00 178.00 178.09 1dfh s LYS 84 N -5.31 0.43 0.31 1.05 -0.14 -1.26 -4.72 119.74 110.09 1dfh s LYS 84 Ca -0.07 -0.60 -0.03 0.00 -1.36 0.00 0.00 55.97 53.90 1dfh s LYS 84 Cb 0.19 -0.18 0.01 0.00 -1.68 0.00 0.00 37.83 36.17 1dfh s LYS 84 CO 0.74 0.03 0.46 1.97 -0.76 0.00 0.00 175.35 177.79 1dfh n PHE 85 N 1.78 -1.45 -0.86 3.18 -1.74 -0.58 -4.96 117.46 112.83 1dfh n PHE 85 Ca -0.21 -1.95 0.08 0.00 -0.56 0.00 0.00 57.45 54.81 1dfh n PHE 85 Cb 0.55 0.53 0.24 0.00 1.52 0.00 0.00 39.48 42.32 1dfh n PHE 85 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 1dfh n ASP 86 N -1.65 3.71 0.00 5.98 8.00 0.11 -0.54 116.55 132.16 1dfh n ASP 86 Ca -0.01 -2.85 0.00 0.00 0.71 0.00 0.00 54.79 52.64 1dfh n ASP 86 Cb 0.50 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1dfh n ASP 86 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dfh n GLY 87 N -0.35 0.77 3.29 0.44 0.00 -1.25 -2.12 105.19 105.96 1dfh n GLY 87 Ca 0.20 -2.19 -0.10 0.00 0.00 0.00 0.00 46.02 43.93 1dfh n GLY 87 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1dfh s PHE 88 N -0.89 -0.12 -0.20 1.61 -0.12 -1.16 -1.98 117.98 115.11 1dfh s PHE 88 Ca 0.00 -0.23 -0.05 0.00 -0.05 0.00 0.00 56.93 56.60 1dfh s PHE 88 Cb 0.00 0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.55 1dfh s PHE 88 CO 0.00 -0.66 -0.01 0.08 -0.05 0.00 0.00 175.22 174.58 1dfh s VAL 89 N -3.81 3.79 -0.37 -2.49 1.01 0.38 -1.82 120.40 117.09 1dfh s VAL 89 Ca 0.03 -0.36 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 1dfh s VAL 89 Cb 0.03 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.73 1dfh s VAL 89 CO -0.12 0.43 0.19 -2.28 0.00 0.00 0.00 175.10 173.32 1dfh s HIS 90 N 1.12 3.27 -0.45 5.22 2.46 0.11 -2.02 115.29 124.99 1dfh s HIS 90 Ca 0.02 -1.23 0.09 0.00 0.47 0.00 0.00 55.06 54.41 1dfh s HIS 90 Cb -0.14 -2.50 0.32 0.00 -0.13 0.00 0.00 32.58 30.12 1dfh s HIS 90 CO 0.01 -0.72 0.75 0.45 -2.47 0.00 0.00 174.74 172.76 1dfh n SER 91 N 4.92 1.86 -4.03 9.88 2.88 -1.26 -2.63 113.62 125.24 1dfh n SER 91 Ca -0.12 -3.16 -0.15 0.00 -1.33 0.00 0.00 58.87 54.11 1dfh n SER 91 Cb 0.45 -0.61 -0.13 0.00 -0.75 0.00 0.00 64.21 63.17 1dfh n SER 91 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1dfh s ILE 92 N -2.73 0.57 0.01 2.46 1.01 -1.26 -4.21 121.20 117.05 1dfh s ILE 92 Ca 0.41 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 60.03 1dfh s ILE 92 Cb 0.29 -0.57 0.10 0.00 0.01 0.00 0.00 42.46 42.29 1dfh s ILE 92 CO -0.09 -0.14 1.06 -0.83 0.00 0.00 0.00 174.94 174.94 1dfh s GLY 93 N -0.96 -0.35 -0.24 6.18 0.00 -1.26 -4.73 107.32 105.96 1dfh s GLY 93 Ca -0.04 0.75 -0.29 0.00 0.00 0.00 0.00 44.72 45.14 1dfh s GLY 93 CO 0.00 0.21 1.21 -0.12 0.00 0.00 0.00 173.10 174.40 1dfh s PHE 94 N -2.89 -0.19 -0.07 1.90 5.36 -1.26 -4.90 117.98 115.93 1dfh s PHE 94 Ca 0.10 0.36 -0.28 0.00 -0.96 0.00 0.00 56.93 56.15 1dfh s PHE 94 Cb 0.00 0.47 0.06 0.00 -0.34 0.00 0.00 43.02 43.22 1dfh s PHE 94 CO -0.03 -0.16 0.64 0.00 -1.46 0.00 0.00 175.22 174.20 1dfh s ALA 95 N -0.88 -1.66 0.39 11.12 0.00 -1.26 -4.02 121.76 125.45 1dfh s ALA 95 Ca 0.04 1.30 -0.27 0.00 0.00 0.00 0.00 51.96 53.03 1dfh s ALA 95 Cb -0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 23.12 22.87 1dfh s ALA 95 CO -0.05 -0.35 1.37 -2.14 0.00 0.00 0.00 175.76 174.59 1dfh s PRO 96 N -1.00 4.05 0.52 0.00 0.01 -1.26 -4.90 135.00 132.43 1dfh s PRO 96 Ca -0.10 2.31 0.17 0.00 0.01 0.00 0.00 61.00 63.40 1dfh s PRO 96 Cb -0.01 -2.87 1.28 0.00 0.01 0.00 0.00 34.50 32.91 1dfh s PRO 96 CO 0.08 -0.48 2.12 0.78 0.01 0.00 0.00 177.00 179.51 1dfh h GLY 97 N 2.88 0.02 2.00 0.52 0.00 -1.99 -1.78 103.07 104.71 1dfh h GLY 97 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1dfh h GLY 97 CO 0.63 0.01 0.00 1.29 0.00 0.00 0.00 176.54 178.47 1dfh h ASP 98 N 0.02 0.00 1.62 0.19 2.03 -1.95 -0.31 116.42 118.01 1dfh h ASP 98 Ca 0.05 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 56.27 1dfh h ASP 98 Cb 0.19 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.68 1dfh h ASP 98 CO -0.00 0.00 -0.38 1.56 -1.03 0.00 0.00 179.24 179.38 1dfh h GLN 99 N 0.00 0.00 -1.02 4.15 1.08 -1.60 -3.35 115.11 114.36 1dfh h GLN 99 Ca 0.00 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.69 1dfh h GLN 99 Cb 0.17 0.00 -0.28 0.00 -0.05 0.00 0.00 27.48 27.32 1dfh h GLN 99 CO 0.00 0.38 0.66 1.28 -0.95 0.00 0.00 178.83 180.19 1dfh n LEU 100 N -3.19 6.71 -3.58 1.46 4.77 -0.13 -4.53 117.00 118.51 1dfh n LEU 100 Ca 0.02 -3.61 -0.07 0.00 -0.03 0.00 0.00 56.01 52.32 1dfh n LEU 100 Cb 0.69 -0.86 -0.08 0.00 -2.33 0.00 0.00 43.42 40.84 1dfh n LEU 100 CO 0.39 1.11 0.05 -0.62 -1.33 0.00 0.00 177.39 176.99 1dfh s ASP 101 N -1.20 -0.33 0.00 -1.43 2.15 -1.26 -2.95 116.67 111.65 1dfh s ASP 101 Ca 0.54 0.93 0.00 0.00 0.43 0.00 0.00 52.55 54.45 1dfh s ASP 101 Cb 0.45 1.46 0.00 0.00 -0.30 0.00 0.00 42.92 44.53 1dfh s ASP 101 CO 0.07 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.44 1dfh n GLY 102 N 5.40 -2.36 3.70 2.66 0.00 -1.26 -4.85 105.19 108.47 1dfh n GLY 102 Ca -0.08 -1.97 -0.56 0.00 0.00 0.00 0.00 46.02 43.41 1dfh n GLY 102 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dfh n ASP 103 N 0.08 2.52 0.01 1.61 -0.08 -1.26 -4.36 116.55 115.07 1dfh n ASP 103 Ca 0.00 1.04 -0.11 0.00 -1.51 0.00 0.00 54.79 54.21 1dfh n ASP 103 Cb 0.00 -1.17 -0.05 0.00 2.34 0.00 0.00 41.12 42.24 1dfh n ASP 103 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1dfh h TYR 104 N 7.65 -0.94 -1.00 -0.67 3.20 -1.94 0.57 116.97 123.83 1dfh h TYR 104 Ca -0.46 0.04 0.13 0.00 3.14 0.00 0.00 58.73 61.58 1dfh h TYR 104 Cb 1.31 0.43 -0.09 0.00 1.54 0.00 0.00 36.73 39.93 1dfh h TYR 104 CO 0.79 -0.42 0.63 0.28 -1.64 0.00 0.00 178.16 177.81 1dfh h VAL 105 N -0.43 0.89 -0.01 1.81 2.07 -1.95 -0.46 116.25 118.17 1dfh h VAL 105 Ca 0.09 -0.33 -0.21 0.00 0.82 0.00 0.00 66.70 67.06 1dfh h VAL 105 Cb 0.57 -0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.17 1dfh h VAL 105 CO -0.35 0.18 -0.89 0.78 0.02 0.00 0.00 177.57 177.31 1dfh h ASN 106 N 0.97 0.44 0.30 0.57 2.35 -1.72 -3.32 115.58 115.17 1dfh h ASN 106 Ca 0.51 -0.34 -0.22 0.00 -0.55 0.00 0.00 56.30 55.69 1dfh h ASN 106 Cb 0.54 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.78 1dfh h ASN 106 CO -0.28 1.13 -0.92 0.00 -1.65 0.00 0.00 177.43 175.71 1dfh h ALA 107 N 0.84 0.37 -2.74 -0.83 0.00 0.16 -3.46 119.26 113.60 1dfh h ALA 107 Ca -0.06 -0.70 -0.53 0.00 0.00 0.00 0.00 54.91 53.62 1dfh h ALA 107 Cb 1.51 -0.02 0.06 0.00 0.00 0.00 0.00 17.79 19.35 1dfh h ALA 107 CO 0.15 0.80 0.84 0.54 0.00 0.00 0.00 179.25 181.58 1dfh s VAL 108 N -3.31 2.39 0.16 0.00 0.11 -0.29 -4.72 120.40 114.74 1dfh s VAL 108 Ca -0.06 0.31 0.06 0.00 -2.93 0.00 0.00 61.98 59.37 1dfh s VAL 108 Cb 0.09 -3.20 -0.04 0.00 -1.53 0.00 0.00 36.38 31.69 1dfh s VAL 108 CO 0.87 0.05 -0.13 0.42 -3.33 0.00 0.00 175.10 172.97 1dfh s THR 109 N 0.23 1.45 0.20 5.04 -4.23 -1.26 -5.02 115.64 112.05 1dfh s THR 109 Ca 0.63 -2.01 -0.11 0.00 -1.18 0.00 0.00 61.69 59.03 1dfh s THR 109 Cb -0.45 -1.82 0.12 0.00 1.34 0.00 0.00 72.50 71.69 1dfh s THR 109 CO 0.43 -0.58 1.78 -0.09 -0.54 0.00 0.00 174.62 175.62 1dfh h ARG 110 N 2.94 0.54 -0.29 3.99 2.43 -1.99 0.14 114.38 122.14 1dfh h ARG 110 Ca -0.38 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 58.67 1dfh h ARG 110 Cb 1.20 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.62 1dfh h ARG 110 CO 0.59 0.36 -0.14 1.49 -1.51 0.00 0.00 179.97 180.75 1dfh h GLU 111 N 0.55 0.60 -0.52 0.20 4.57 -1.98 -1.03 114.58 116.97 1dfh h GLU 111 Ca 0.27 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1dfh h GLU 111 Cb 0.22 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1dfh h GLU 111 CO -0.20 0.83 0.30 0.78 -1.18 0.00 0.00 179.01 179.54 1dfh h GLY 112 N 0.35 0.77 0.61 1.92 0.00 -1.87 0.08 103.07 104.92 1dfh h GLY 112 Ca 0.06 -0.34 0.03 0.00 0.00 0.00 0.00 47.33 47.09 1dfh h GLY 112 CO 0.04 0.33 -0.12 -2.75 0.00 0.00 0.00 176.54 174.04 1dfh h PHE 113 N 0.69 -0.29 0.09 5.60 3.04 -0.62 -1.41 116.94 124.04 1dfh h PHE 113 Ca 0.18 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.16 1dfh h PHE 113 Cb 0.03 0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 1dfh h PHE 113 CO -0.02 -0.18 -0.15 -0.22 -2.02 0.00 0.00 178.31 175.72 1dfh h LYS 114 N -0.16 -0.29 -0.20 1.11 3.64 -0.63 -2.25 116.57 117.79 1dfh h LYS 114 Ca 0.07 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1dfh h LYS 114 Cb 0.26 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1dfh h LYS 114 CO -0.17 -0.19 0.13 0.82 -2.27 0.00 0.00 179.45 177.77 1dfh h ILE 115 N -0.30 1.04 -0.68 2.00 2.04 -0.86 0.10 117.51 120.86 1dfh h ILE 115 Ca 0.02 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.86 1dfh h ILE 115 Cb 0.32 0.75 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 1dfh h ILE 115 CO -0.09 0.05 0.36 0.00 0.00 0.00 0.00 178.15 178.47 1dfh h ALA 116 N 1.08 0.91 -0.04 1.87 0.00 -1.06 -0.25 119.26 121.78 1dfh h ALA 116 Ca 0.08 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.83 1dfh h ALA 116 Cb -0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1dfh h ALA 116 CO -0.02 0.01 -0.78 0.45 0.00 0.00 0.00 179.25 178.90 1dfh h HIS 117 N 0.65 0.44 0.22 0.00 3.86 -1.21 -0.58 115.15 118.52 1dfh h HIS 117 Ca 0.31 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.30 1dfh h HIS 117 Cb 0.25 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1dfh h HIS 117 CO -0.09 0.98 -0.10 0.22 0.86 0.00 0.00 177.93 179.80 1dfh h ASP 118 N 0.20 -0.25 0.23 2.45 3.58 0.02 -0.77 116.42 121.90 1dfh h ASP 118 Ca -0.04 -0.17 -0.28 0.00 0.42 0.00 0.00 57.03 56.96 1dfh h ASP 118 Cb 1.37 0.06 0.02 0.00 1.72 0.00 0.00 39.33 42.51 1dfh h ASP 118 CO 0.13 0.04 -1.16 0.40 -2.88 0.00 0.00 179.24 175.78 1dfh h ILE 119 N -0.55 1.34 0.00 2.25 1.08 -1.15 -2.34 117.51 118.14 1dfh h ILE 119 Ca -0.03 -2.52 0.00 0.00 -0.39 0.00 0.00 64.86 61.92 1dfh h ILE 119 Cb 0.41 2.63 0.00 0.00 -3.07 0.00 0.00 36.82 36.79 1dfh h ILE 119 CO 0.05 0.76 -0.52 0.28 -0.69 0.00 0.00 178.15 178.02 1dfh h SER 120 N 0.25 0.00 0.00 1.72 0.02 -1.19 -3.39 113.55 110.96 1dfh h SER 120 Ca -0.15 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1dfh h SER 120 Cb 1.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.36 1dfh h SER 120 CO 0.21 0.01 -0.43 -0.24 -1.14 0.00 0.00 176.83 175.24 1dfh n SER 121 N -2.77 0.41 -0.31 3.07 2.88 -0.40 -4.81 113.62 111.68 1dfh n SER 121 Ca 0.02 0.10 0.02 0.00 -1.33 0.00 0.00 58.87 57.68 1dfh n SER 121 Cb 0.53 -0.09 0.16 0.00 -0.75 0.00 0.00 64.21 64.05 1dfh n SER 121 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 1dfh h TYR 122 N 0.00 0.97 -0.80 0.66 3.20 -1.07 -1.81 116.97 118.12 1dfh h TYR 122 Ca 0.00 0.03 0.23 0.00 3.14 0.00 0.00 58.73 62.13 1dfh h TYR 122 Cb 0.43 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.36 1dfh h TYR 122 CO 0.00 0.46 0.62 0.66 -1.64 0.00 0.00 178.16 178.25 1dfh h SER 123 N 0.93 0.00 -0.45 -2.11 4.64 -1.61 -0.46 113.55 114.49 1dfh h SER 123 Ca 0.40 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.61 1dfh h SER 123 Cb 0.26 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1dfh h SER 123 CO -0.20 0.00 -0.13 0.15 -0.87 0.00 0.00 176.83 175.77 1dfh h PHE 124 N 0.00 1.00 0.00 4.77 3.57 -1.63 -1.82 116.94 122.83 1dfh h PHE 124 Ca 0.38 -0.22 -0.18 0.00 3.53 0.00 0.00 57.97 61.48 1dfh h PHE 124 Cb 1.61 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 40.08 1dfh h PHE 124 CO 0.00 0.99 -1.07 -0.24 -2.23 0.00 0.00 178.31 175.76 1dfh h VAL 125 N 0.72 0.98 -0.35 1.41 3.04 -1.28 -3.05 116.25 117.72 1dfh h VAL 125 Ca 0.11 -2.54 0.03 0.00 -1.01 0.00 0.00 66.70 63.29 1dfh h VAL 125 Cb 0.68 2.42 -0.03 0.00 -2.01 0.00 0.00 31.29 32.36 1dfh h VAL 125 CO 0.05 0.56 0.17 0.00 -1.01 0.00 0.00 177.57 177.34 1dfh h ALA 126 N 1.27 0.43 -0.47 3.17 0.00 -1.05 0.33 119.26 122.95 1dfh h ALA 126 Ca -0.09 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1dfh h ALA 126 Cb 1.64 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 1dfh h ALA 126 CO 0.08 -0.20 0.30 0.52 0.00 0.00 0.00 179.25 179.95 1dfh h MET 127 N 0.35 0.60 -0.48 0.00 2.07 -1.34 -0.69 114.93 115.44 1dfh h MET 127 Ca 0.15 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.74 1dfh h MET 127 Cb 0.07 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 29.64 1dfh h MET 127 CO -0.11 0.39 0.28 0.00 1.07 0.00 0.00 176.91 178.55 1dfh h ALA 128 N 1.18 0.61 -0.79 6.32 0.00 -1.30 -0.73 119.26 124.55 1dfh h ALA 128 Ca 0.18 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1dfh h ALA 128 Cb -0.05 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 1dfh h ALA 128 CO -0.05 0.10 0.47 -0.22 0.00 0.00 0.00 179.25 179.54 1dfh h LYS 129 N 0.63 0.82 0.00 0.00 3.64 0.11 -1.23 116.57 120.55 1dfh h LYS 129 Ca 0.17 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 1dfh h LYS 129 Cb -0.00 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1dfh h LYS 129 CO -0.03 0.54 -0.31 0.00 -2.27 0.00 0.00 179.45 177.38 1dfh h ALA 130 N 1.39 0.99 -0.11 5.00 0.00 0.32 -3.31 119.26 123.54 1dfh h ALA 130 Ca 0.35 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1dfh h ALA 130 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1dfh h ALA 130 CO -0.19 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1dfh h ARG 132 N 0.80 -0.01 0.00 0.00 2.43 -1.32 0.15 114.38 116.44 1dfh h ARG 132 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1dfh h ARG 132 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1dfh h ARG 132 CO 0.00 -0.00 0.00 -1.13 -1.51 0.00 0.00 179.97 177.33 1dfh n SER 133 N -5.53 0.28 0.00 -3.80 3.41 -1.26 -2.56 113.62 104.16 1dfh n SER 133 Ca 0.12 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 1dfh n SER 133 Cb 0.42 -0.62 0.18 0.00 -0.26 0.00 0.00 64.21 63.92 1dfh n SER 133 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1dfh n MET 134 N -1.80 0.02 -2.69 4.33 2.81 0.53 -4.95 117.12 115.37 1dfh n MET 134 Ca 0.04 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.53 1dfh n MET 134 Cb 0.24 -1.51 -0.05 0.00 -0.71 0.00 0.00 33.22 31.19 1dfh n MET 134 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1dfh s LEU 135 N -3.06 4.59 0.65 4.03 1.43 -1.06 -1.52 118.68 123.73 1dfh s LEU 135 Ca 0.10 1.96 -0.11 0.00 -1.03 0.00 0.00 54.13 55.05 1dfh s LEU 135 Cb 0.17 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.77 1dfh s LEU 135 CO 0.73 0.03 1.05 0.20 0.23 0.00 0.00 176.35 178.60 1dfh s ASN 136 N -0.75 5.88 0.30 2.29 0.01 0.30 -4.89 114.94 118.08 1dfh s ASN 136 Ca 0.44 1.28 -0.29 0.00 -0.71 0.00 0.00 52.86 53.57 1dfh s ASN 136 Cb -0.26 -2.22 -0.10 0.00 0.41 0.00 0.00 41.25 39.08 1dfh s ASN 136 CO 0.33 -1.07 1.23 -2.84 -1.51 0.00 0.00 177.10 173.23 1dfh s PRO 137 N -5.25 4.47 0.00 -0.60 0.02 -1.26 -1.89 135.00 130.48 1dfh s PRO 137 Ca 0.56 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.62 1dfh s PRO 137 Cb -0.11 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.28 1dfh s PRO 137 CO 0.53 -0.04 0.00 0.41 -0.33 0.00 0.00 177.00 177.57 1dfh n GLY 138 N 1.11 0.74 3.79 0.52 0.00 -0.09 -5.05 105.19 106.22 1dfh n GLY 138 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1dfh n GLY 138 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dfh s SER 139 N -2.58 5.14 -0.01 1.61 0.01 -0.79 -4.88 113.70 112.19 1dfh s SER 139 Ca 0.00 1.76 -0.02 0.00 1.31 0.00 0.00 55.95 59.00 1dfh s SER 139 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1dfh s SER 139 CO 0.00 -1.61 0.04 0.00 0.41 0.00 0.00 173.24 172.09 1dfh s ALA 140 N -2.82 -0.10 0.02 1.44 0.00 -0.90 -0.51 121.76 118.88 1dfh s ALA 140 Ca 0.61 0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.67 1dfh s ALA 140 Cb -0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1dfh s ALA 140 CO 0.51 -0.05 -0.22 -0.51 0.00 0.00 0.00 175.76 175.49 1dfh s LEU 141 N -0.24 2.39 -0.01 0.00 1.43 0.33 -3.01 118.68 119.58 1dfh s LEU 141 Ca -0.03 -0.46 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1dfh s LEU 141 Cb -0.02 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1dfh s LEU 141 CO 0.00 0.28 -0.02 -0.22 0.23 0.00 0.00 176.35 176.62 1dfh s LEU 142 N -1.13 1.88 0.20 1.79 2.96 -0.75 -2.06 118.68 121.56 1dfh s LEU 142 Ca 0.12 -0.04 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 1dfh s LEU 142 Cb -0.10 -0.14 -0.05 0.00 0.50 0.00 0.00 46.19 46.40 1dfh s LEU 142 CO 0.02 0.01 -0.08 0.28 -1.32 0.00 0.00 176.35 175.27 1dfh s THR 143 N 0.10 1.31 -0.25 3.68 -1.32 -0.94 0.04 115.64 118.27 1dfh s THR 143 Ca -0.01 -2.09 -0.06 0.00 -1.21 0.00 0.00 61.69 58.32 1dfh s THR 143 Cb -0.03 -2.09 -0.01 0.00 -1.51 0.00 0.00 72.50 68.85 1dfh s THR 143 CO -0.00 -0.55 0.04 -0.76 -2.21 0.00 0.00 174.62 171.14 1dfh s LEU 144 N -3.27 3.37 0.00 9.08 2.01 -1.08 -1.35 118.68 127.44 1dfh s LEU 144 Ca 0.23 -0.39 0.00 0.00 0.01 0.00 0.00 54.13 53.98 1dfh s LEU 144 Cb 0.03 -1.85 0.00 0.00 0.01 0.00 0.00 46.19 44.37 1dfh s LEU 144 CO 0.05 -0.07 0.00 -0.24 1.01 0.00 0.00 176.35 177.10 1dfh n SER 145 N 4.87 0.86 -3.64 2.29 2.88 0.14 -4.94 113.62 116.08 1dfh n SER 145 Ca -0.16 -0.76 -0.15 0.00 -1.33 0.00 0.00 58.87 56.47 1dfh n SER 145 Cb 0.50 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.89 1dfh n SER 145 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1dfh s TYR 146 N 0.48 -0.56 0.62 0.66 5.04 -1.26 -3.02 117.35 119.31 1dfh s TYR 146 Ca 0.00 1.15 0.25 0.00 -2.44 0.00 0.00 57.07 56.03 1dfh s TYR 146 Cb 0.00 0.26 1.19 0.00 0.35 0.00 0.00 41.96 43.76 1dfh s TYR 146 CO 0.00 -0.43 1.64 1.25 -1.34 0.00 0.00 175.55 176.66 1dfh h LEU 147 N 4.16 0.00 -2.14 6.97 5.85 -1.90 0.14 115.31 128.39 1dfh h LEU 147 Ca -0.28 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1dfh h LEU 147 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1dfh h LEU 147 CO 0.28 0.00 0.27 1.23 -0.34 0.00 0.00 178.44 179.88 1dfh h GLY 148 N 0.00 0.00 2.00 3.75 0.00 -1.94 0.21 103.07 107.09 1dfh h GLY 148 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 1dfh h GLY 148 CO -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 176.54 176.42 1dfh h ALA 149 N 1.45 0.98 0.00 3.60 0.00 -1.13 -3.32 119.26 120.84 1dfh h ALA 149 Ca 0.00 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 1dfh h ALA 149 Cb 0.55 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1dfh h ALA 149 CO 0.00 0.15 -1.92 0.39 0.00 0.00 0.00 179.25 177.86 1dfh n GLU 150 N -3.21 1.30 -4.09 0.00 1.02 0.67 -4.57 120.64 111.77 1dfh n GLU 150 Ca 0.01 -0.04 -0.12 0.00 -0.02 0.00 0.00 57.16 56.99 1dfh n GLU 150 Cb 0.43 -1.37 -0.11 0.00 -0.02 0.00 0.00 31.44 30.36 1dfh n GLU 150 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1dfh s ARG 151 N -2.56 0.60 -0.19 3.49 0.52 -0.79 -5.11 118.95 114.91 1dfh s ARG 151 Ca -0.07 -0.93 -0.29 0.00 -0.52 0.00 0.00 55.73 53.92 1dfh s ARG 151 Cb 0.06 -0.21 -0.01 0.00 0.52 0.00 0.00 34.95 35.31 1dfh s ARG 151 CO 0.61 0.02 1.20 0.00 0.02 0.00 0.00 175.30 177.15 1dfh s ALA 152 N -2.12 3.66 -0.07 2.13 0.00 -1.26 -4.32 121.76 119.78 1dfh s ALA 152 Ca -0.04 0.37 0.05 0.00 0.00 0.00 0.00 51.96 52.34 1dfh s ALA 152 Cb -0.05 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1dfh s ALA 152 CO -0.02 -1.16 -0.23 0.42 0.00 0.00 0.00 175.76 174.77 1dfh s ILE 153 N 3.44 1.96 0.42 0.00 1.01 -1.26 -5.09 121.20 121.69 1dfh s ILE 153 Ca 0.52 -1.00 -0.26 0.00 0.00 0.00 0.00 60.65 59.91 1dfh s ILE 153 Cb -0.20 -1.68 -0.10 0.00 0.01 0.00 0.00 42.46 40.50 1dfh s ILE 153 CO 0.12 0.54 1.35 -2.65 0.00 0.00 0.00 174.94 174.31 1dfh n PRO 154 N 3.19 2.14 0.00 2.79 -0.02 -1.26 -2.93 135.00 138.91 1dfh n PRO 154 Ca -0.18 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1dfh n PRO 154 Cb 0.52 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1dfh n PRO 154 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1dfh n ASN 155 N 0.13 0.00 0.15 2.55 3.02 -1.26 -4.64 115.26 115.21 1dfh n ASN 155 Ca 0.05 0.00 0.03 0.00 -0.03 0.00 0.00 54.58 54.63 1dfh n ASN 155 Cb 0.40 -0.07 0.41 0.00 -0.61 0.00 0.00 39.78 39.91 1dfh n ASN 155 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1dfh h TYR 156 N 0.00 0.16 0.00 3.10 3.20 -1.82 -3.37 116.97 118.24 1dfh h TYR 156 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1dfh h TYR 156 Cb 0.00 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1dfh h TYR 156 CO 0.00 0.33 0.00 0.09 -1.64 0.00 0.00 178.16 176.94 1dfh n ASN 157 N -4.26 0.00 0.13 -2.11 3.02 -1.25 -1.82 115.26 108.97 1dfh n ASN 157 Ca -0.01 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.66 1dfh n ASN 157 Cb 0.28 0.00 0.45 0.00 -0.61 0.00 0.00 39.78 39.90 1dfh n ASN 157 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1dfh h VAL 158 N 0.00 0.00 -0.19 2.41 3.04 -1.87 -1.14 116.25 118.50 1dfh h VAL 158 Ca 0.00 -0.38 0.01 0.00 -1.01 0.00 0.00 66.70 65.32 1dfh h VAL 158 Cb 0.00 1.25 -0.01 0.00 -2.01 0.00 0.00 31.29 30.53 1dfh h VAL 158 CO 0.00 0.00 0.13 0.24 -1.01 0.00 0.00 177.57 176.93 1dfh h MET 159 N 0.00 0.21 -0.48 4.17 2.86 -1.73 -0.92 114.93 119.04 1dfh h MET 159 Ca 0.00 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.67 1dfh h MET 159 Cb 0.56 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 1dfh h MET 159 CO 0.00 0.14 0.24 0.78 1.06 0.00 0.00 176.91 179.13 1dfh h GLY 160 N 0.21 0.67 1.23 8.32 0.00 -1.31 0.31 103.07 112.49 1dfh h GLY 160 Ca 0.08 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.12 1dfh h GLY 160 CO -0.01 0.11 -0.20 1.41 0.00 0.00 0.00 176.54 177.85 1dfh h LEU 161 N 0.48 0.90 -0.63 3.11 4.07 -1.32 -1.47 115.31 120.45 1dfh h LEU 161 Ca 0.21 -0.33 -0.12 0.00 0.08 0.00 0.00 57.88 57.73 1dfh h LEU 161 Cb 0.11 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 1dfh h LEU 161 CO -0.15 1.08 -0.19 0.00 -1.08 0.00 0.00 178.44 178.10 1dfh h ALA 162 N 0.99 0.82 0.00 1.53 0.00 -0.67 -1.04 119.26 120.88 1dfh h ALA 162 Ca 0.11 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 1dfh h ALA 162 Cb 0.74 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1dfh h ALA 162 CO 0.06 0.65 -0.50 0.87 0.00 0.00 0.00 179.25 180.33 1dfh h LYS 163 N 0.76 0.00 -0.26 0.00 1.79 -0.17 0.63 116.57 119.32 1dfh h LYS 163 Ca 0.11 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.50 1dfh h LYS 163 Cb 0.73 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.37 1dfh h LYS 163 CO 0.06 0.50 -0.13 0.00 -1.08 0.00 0.00 179.45 178.80 1dfh h ALA 164 N 1.50 0.37 -0.23 3.86 0.00 -0.89 -0.12 119.26 123.74 1dfh h ALA 164 Ca -0.01 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1dfh h ALA 164 Cb 0.93 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1dfh h ALA 164 CO 0.07 0.24 0.01 1.03 0.00 0.00 0.00 179.25 180.59 1dfh h SER 165 N 0.28 -0.07 -0.60 0.00 0.87 -0.88 -1.47 113.55 111.68 1dfh h SER 165 Ca 0.06 0.05 0.08 0.00 -1.23 0.00 0.00 61.79 60.75 1dfh h SER 165 Cb 0.64 0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 62.62 1dfh h SER 165 CO 0.04 -0.01 0.25 0.25 -0.53 0.00 0.00 176.83 176.83 1dfh h LEU 166 N 0.08 0.29 -1.34 2.23 5.85 -0.59 0.61 115.31 122.44 1dfh h LEU 166 Ca 0.11 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1dfh h LEU 166 Cb 0.14 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1dfh h LEU 166 CO -0.18 0.18 -0.29 -0.33 -0.34 0.00 0.00 178.44 177.48 1dfh h GLU 167 N 0.45 0.06 -0.15 1.25 5.08 -0.43 -1.23 114.58 119.62 1dfh h GLU 167 Ca 0.29 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.45 1dfh h GLU 167 Cb 0.32 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1dfh h GLU 167 CO -0.27 0.35 -0.67 0.00 -1.00 0.00 0.00 179.01 177.42 1dfh h ALA 168 N 1.65 0.54 -0.91 3.43 0.00 -0.47 -2.83 119.26 120.67 1dfh h ALA 168 Ca 0.01 -0.57 0.10 0.00 0.00 0.00 0.00 54.91 54.45 1dfh h ALA 168 Cb 0.54 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.20 1dfh h ALA 168 CO 0.04 0.71 0.55 -0.97 0.00 0.00 0.00 179.25 179.58 1dfh h ASN 169 N 0.43 0.82 -0.61 0.00 -0.73 0.16 0.31 115.58 115.96 1dfh h ASN 169 Ca -0.02 0.04 0.02 0.00 1.87 0.00 0.00 56.30 58.21 1dfh h ASN 169 Cb 1.25 -0.12 -0.04 0.00 0.27 0.00 0.00 38.32 39.68 1dfh h ASN 169 CO 0.13 0.47 0.39 0.58 -0.37 0.00 0.00 177.43 178.62 1dfh h VAL 170 N 0.92 1.10 -0.35 2.57 2.07 -1.03 0.12 116.25 121.65 1dfh h VAL 170 Ca 0.43 -0.27 -0.11 0.00 0.82 0.00 0.00 66.70 67.58 1dfh h VAL 170 Cb 0.36 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1dfh h VAL 170 CO -0.24 0.14 -0.20 0.03 0.02 0.00 0.00 177.57 177.32 1dfh h ARG 171 N 0.77 0.76 -0.43 1.57 3.08 -1.12 0.01 114.38 119.02 1dfh h ARG 171 Ca 0.24 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 1dfh h ARG 171 Cb -0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1dfh h ARG 171 CO -0.08 0.97 -0.14 1.88 -1.07 0.00 0.00 179.97 181.52 1dfh h TYR 172 N 0.54 0.97 -0.15 3.04 0.05 -0.66 -1.86 116.97 118.91 1dfh h TYR 172 Ca 0.07 -0.22 -0.01 0.00 0.05 0.00 0.00 58.73 58.62 1dfh h TYR 172 Cb 0.76 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 1dfh h TYR 172 CO 0.06 0.98 0.04 0.52 -1.05 0.00 0.00 178.16 178.72 1dfh h MET 173 N 0.68 0.23 -0.68 4.88 2.86 -0.77 -1.37 114.93 120.78 1dfh h MET 173 Ca 0.10 -0.05 0.10 0.00 -2.06 0.00 0.00 59.70 57.79 1dfh h MET 173 Cb 0.69 -0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.24 1dfh h MET 173 CO 0.05 0.37 0.30 0.00 1.06 0.00 0.00 176.91 178.69 1dfh h ALA 174 N 0.85 0.91 -0.27 6.32 0.00 -0.89 0.05 119.26 126.24 1dfh h ALA 174 Ca 0.05 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1dfh h ALA 174 Cb 0.24 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1dfh h ALA 174 CO -0.00 -0.12 -0.33 -0.97 0.00 0.00 0.00 179.25 177.83 1dfh h ASN 175 N 0.51 0.61 0.79 0.00 -0.00 -1.04 -1.78 115.58 114.67 1dfh h ASN 175 Ca 0.34 -0.24 -0.25 0.00 -0.00 0.00 0.00 56.30 56.15 1dfh h ASN 175 Cb 0.40 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 38.53 1dfh h ASN 175 CO -0.30 0.89 -1.17 0.00 -0.00 0.00 0.00 177.43 176.86 1dfh h ALA 176 N 1.14 0.26 -0.02 1.57 0.00 -0.06 -3.31 119.26 118.85 1dfh h ALA 176 Ca 0.06 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1dfh h ALA 176 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1dfh h ALA 176 CO 0.07 1.15 -0.32 -1.33 0.00 0.00 0.00 179.25 178.82 1dfh n MET 177 N -3.42 1.53 -0.04 0.00 2.81 -0.12 -4.52 117.12 113.37 1dfh n MET 177 Ca -0.05 -1.11 -0.08 0.00 -1.81 0.00 0.00 57.70 54.64 1dfh n MET 177 Cb 0.99 -1.39 -0.02 0.00 -0.71 0.00 0.00 33.22 32.08 1dfh n MET 177 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1dfh h GLY 178 N 4.22 -0.16 2.00 3.03 0.00 -1.39 -2.42 103.07 108.35 1dfh h GLY 178 Ca 0.00 0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 1dfh h GLY 178 CO 0.00 -0.19 -0.01 -2.55 0.00 0.00 0.00 176.54 173.79 1dfh h PRO 179 N -0.25 0.00 -0.00 4.80 0.11 -1.81 0.84 132.00 135.69 1dfh h PRO 179 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1dfh h PRO 179 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1dfh h PRO 179 CO -0.36 0.01 -0.18 0.39 -0.21 0.00 0.00 178.00 177.65 1dfh n GLU 180 N -3.17 0.52 -0.57 1.05 1.02 -0.94 -4.93 120.64 113.62 1dfh n GLU 180 Ca -0.02 -0.21 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 1dfh n GLU 180 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 1dfh n GLU 180 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dfh n GLY 181 N 1.35 1.32 3.31 0.62 0.00 0.29 -4.70 105.19 107.38 1dfh n GLY 181 Ca 0.12 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 1dfh n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dfh s VAL 182 N -2.00 2.60 0.10 1.61 1.01 -1.05 -0.91 120.40 121.76 1dfh s VAL 182 Ca 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1dfh s VAL 182 Cb 0.00 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1dfh s VAL 182 CO 0.00 0.54 0.11 -0.13 0.00 0.00 0.00 175.10 175.63 1dfh s ARG 183 N 0.27 2.95 -0.06 2.72 0.52 0.33 -3.64 118.95 122.04 1dfh s ARG 183 Ca -0.13 -0.72 -0.02 0.00 -0.52 0.00 0.00 55.73 54.34 1dfh s ARG 183 Cb -0.16 -2.74 0.04 0.00 0.52 0.00 0.00 34.95 32.60 1dfh s ARG 183 CO 0.07 0.55 0.10 0.08 0.02 0.00 0.00 175.30 176.12 1dfh s VAL 184 N -1.51 -0.14 0.23 3.52 1.01 -1.26 -0.51 120.40 121.74 1dfh s VAL 184 Ca 0.30 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.56 1dfh s VAL 184 Cb -0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1dfh s VAL 184 CO 0.23 0.13 0.25 0.20 0.00 0.00 0.00 175.10 175.91 1dfh s ASN 185 N 1.79 0.19 0.09 3.32 0.01 -0.87 0.10 114.94 119.57 1dfh s ASN 185 Ca -0.01 -1.28 0.02 0.00 -0.71 0.00 0.00 52.86 50.88 1dfh s ASN 185 Cb -0.12 0.46 -0.04 0.00 0.41 0.00 0.00 41.25 41.96 1dfh s ASN 185 CO -0.04 -0.96 -0.07 0.00 -1.51 0.00 0.00 177.10 174.52 1dfh s ALA 186 N -4.04 0.95 -0.17 0.60 0.00 0.11 -2.21 121.76 117.00 1dfh s ALA 186 Ca 0.34 -1.24 -0.00 0.00 0.00 0.00 0.00 51.96 51.06 1dfh s ALA 186 Cb 0.04 0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 1dfh s ALA 186 CO 0.12 -0.17 -0.14 0.42 0.00 0.00 0.00 175.76 175.99 1dfh s ILE 187 N -3.11 2.71 -0.83 0.00 1.01 -0.46 0.08 121.20 120.60 1dfh s ILE 187 Ca 0.08 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.84 1dfh s ILE 187 Cb 0.02 -2.16 0.22 0.00 0.01 0.00 0.00 42.46 40.55 1dfh s ILE 187 CO -0.03 0.50 0.77 -0.55 0.00 0.00 0.00 174.94 175.63 1dfh s SER 188 N 0.97 6.76 0.42 3.58 0.15 0.81 0.23 113.70 126.62 1dfh s SER 188 Ca -0.02 -2.69 -0.16 0.00 0.70 0.00 0.00 55.95 53.77 1dfh s SER 188 Cb -0.15 -2.21 -0.09 0.00 -1.71 0.00 0.00 66.02 61.86 1dfh s SER 188 CO -0.02 -0.57 0.88 0.00 1.20 0.00 0.00 173.24 174.72 1dfh s ALA 189 N 0.16 3.17 0.87 5.45 0.00 -1.17 -0.24 121.76 130.00 1dfh s ALA 189 Ca 0.18 0.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.16 1dfh s ALA 189 Cb -0.10 -2.97 0.12 0.00 0.00 0.00 0.00 23.12 20.16 1dfh s ALA 189 CO -0.09 0.06 1.16 0.20 0.00 0.00 0.00 175.76 177.09 1dfh s GLY 190 N -2.61 1.59 0.27 0.00 0.00 -0.54 -4.59 107.32 101.44 1dfh s GLY 190 Ca 0.57 -0.61 -0.30 0.00 0.00 0.00 0.00 44.72 44.38 1dfh s GLY 190 CO 0.22 -0.07 1.53 2.56 0.00 0.00 0.00 173.10 177.34 1dfh s PRO 191 N -5.44 4.18 -0.18 2.90 0.04 -1.26 -4.90 135.00 130.34 1dfh s PRO 191 Ca 0.63 2.46 -0.04 0.00 0.04 0.00 0.00 61.00 64.10 1dfh s PRO 191 Cb -0.13 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.33 1dfh s PRO 191 CO 0.51 -0.54 -0.04 0.42 0.04 0.00 0.00 177.00 177.39 1dfh s ILE 192 N -0.01 3.71 0.10 0.56 1.01 -1.26 -4.37 121.20 120.94 1dfh s ILE 192 Ca 0.62 -0.41 -0.31 0.00 0.00 0.00 0.00 60.65 60.55 1dfh s ILE 192 Cb -0.45 -2.65 -0.10 0.00 0.01 0.00 0.00 42.46 39.27 1dfh s ILE 192 CO 0.46 0.46 1.88 -1.14 0.00 0.00 0.00 174.94 176.60 1dfh n ARG 193 N 3.99 2.84 -3.70 2.79 0.63 -1.26 -4.96 116.66 117.00 1dfh n ARG 193 Ca -0.18 1.04 -0.12 0.00 -0.92 0.00 0.00 57.85 57.67 1dfh n ARG 193 Cb 0.52 -2.95 -0.13 0.00 0.45 0.00 0.00 32.46 30.35 1dfh n ARG 193 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1dfh s THR 194 N 3.19 -0.21 0.40 5.15 -4.23 -1.26 -5.02 115.64 113.67 1dfh s THR 194 Ca 0.84 0.19 0.19 0.00 -1.18 0.00 0.00 61.69 61.72 1dfh s THR 194 Cb -0.46 -0.45 0.19 0.00 1.34 0.00 0.00 72.50 73.12 1dfh s THR 194 CO 0.38 0.08 1.96 0.25 -0.54 0.00 0.00 174.62 176.75 1dfh h LEU 195 N 7.64 0.00-10.04 4.79 5.85 -2.02 -3.44 115.31 118.08 1dfh h LEU 195 Ca -0.29 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 57.87 1dfh h LEU 195 Cb 1.14 0.00 0.15 0.00 0.37 0.00 0.00 40.66 42.32 1dfh h LEU 195 CO 0.26 0.22 0.54 0.00 -0.34 0.00 0.00 178.44 179.12 1dfh n ALA 196 N -2.41 1.33 -2.45 1.25 0.00 -1.26 -4.92 120.51 112.05 1dfh n ALA 196 Ca -0.02 0.08 -0.43 0.00 0.00 0.00 0.00 53.44 53.07 1dfh n ALA 196 Cb 0.30 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.40 1dfh n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dfh s ALA 197 N -1.33 3.66 0.41 0.00 0.00 -1.26 -5.04 121.76 118.20 1dfh s ALA 197 Ca 0.75 0.43 -0.06 0.00 0.00 0.00 0.00 51.96 53.09 1dfh s ALA 197 Cb -0.41 -3.61 -0.05 0.00 0.00 0.00 0.00 23.12 19.06 1dfh s ALA 197 CO 0.46 -1.14 0.72 0.45 0.00 0.00 0.00 175.76 176.25 1dfh s SER 198 N 1.87 6.37 0.16 0.00 0.15 -1.26 -5.00 113.70 115.99 1dfh s SER 198 Ca 0.54 0.90 0.25 0.00 0.70 0.00 0.00 55.95 58.33 1dfh s SER 198 Cb -0.21 -2.23 0.54 0.00 -1.71 0.00 0.00 66.02 62.41 1dfh s SER 198 CO 0.14 -0.44 1.51 0.61 1.20 0.00 0.00 173.24 176.26 1dfh n GLY 199 N -1.73 -1.53 3.66 9.45 0.00 -1.26 -4.79 105.19 108.99 1dfh n GLY 199 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 1dfh n GLY 199 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dfh s ILE 200 N -3.14 4.78 0.08 -0.61 1.01 -1.26 -4.82 121.20 117.25 1dfh s ILE 200 Ca 0.08 1.78 -0.33 0.00 0.00 0.00 0.00 60.65 62.18 1dfh s ILE 200 Cb 0.13 -4.20 -0.12 0.00 0.01 0.00 0.00 42.46 38.27 1dfh s ILE 200 CO 0.67 -0.10 1.76 1.17 0.00 0.00 0.00 174.94 178.44 1dfh n LYS 201 N 5.98 2.42 -1.56 2.79 3.00 -1.15 -2.30 118.16 127.34 1dfh n LYS 201 Ca 0.08 0.88 -0.13 0.00 -0.00 0.00 0.00 58.31 59.14 1dfh n LYS 201 Cb 0.47 -2.72 -0.04 0.00 0.00 0.00 0.00 35.03 32.74 1dfh n LYS 201 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1dfh n ASP 202 N 5.10 -4.40 -0.34 3.14 8.00 -1.26 -4.86 116.55 121.93 1dfh n ASP 202 Ca 0.19 0.24 0.19 0.00 0.71 0.00 0.00 54.79 56.12 1dfh n ASP 202 Cb 0.32 -3.14 0.41 0.00 -0.02 0.00 0.00 41.12 38.70 1dfh n ASP 202 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1dfh h PHE 203 N 0.00 0.94 -0.49 1.24 3.57 -1.84 0.68 116.94 121.05 1dfh h PHE 203 Ca -0.27 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.33 1dfh h PHE 203 Cb 0.91 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1dfh h PHE 203 CO 0.35 0.05 0.19 0.00 -2.23 0.00 0.00 178.31 176.67 1dfh h ARG 204 N 0.54 0.36 -0.01 1.11 -0.00 -1.91 -0.40 114.38 114.07 1dfh h ARG 204 Ca 0.64 -0.02 0.03 0.00 -0.50 0.00 0.00 59.98 60.13 1dfh h ARG 204 Cb 1.30 -0.08 -0.03 0.00 0.00 0.00 0.00 29.97 31.16 1dfh h ARG 204 CO -0.45 0.24 -0.17 0.87 0.00 0.00 0.00 179.97 180.46 1dfh h LYS 205 N 0.37 -0.26 -0.63 0.04 1.57 -1.27 -1.20 116.57 115.19 1dfh h LYS 205 Ca 0.23 0.02 0.10 0.00 -1.87 0.00 0.00 60.65 59.13 1dfh h LYS 205 Cb 0.22 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 32.48 1dfh h LYS 205 CO -0.22 -0.18 -0.39 0.52 -0.57 0.00 0.00 179.45 178.62 1dfh h MET 206 N -0.27 -0.17 -0.36 3.15 2.86 -0.97 0.46 114.93 119.63 1dfh h MET 206 Ca 0.06 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.78 1dfh h MET 206 Cb 0.35 0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.96 1dfh h MET 206 CO -0.17 -0.11 -0.40 1.25 1.06 0.00 0.00 176.91 178.53 1dfh h LEU 207 N -0.18 -1.33 -0.77 1.22 5.85 -0.37 -0.70 115.31 119.03 1dfh h LEU 207 Ca 0.22 0.20 0.10 0.00 0.84 0.00 0.00 57.88 59.24 1dfh h LEU 207 Cb 0.56 0.58 -0.08 0.00 0.37 0.00 0.00 40.66 42.10 1dfh h LEU 207 CO -0.72 -0.37 0.40 0.00 -0.34 0.00 0.00 178.44 177.42 1dfh h ALA 208 N 0.44 1.09 -0.06 1.25 0.00 0.20 -1.33 119.26 120.86 1dfh h ALA 208 Ca 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1dfh h ALA 208 Cb 0.58 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1dfh h ALA 208 CO -0.54 -0.01 0.02 1.25 0.00 0.00 0.00 179.25 179.97 1dfh h HIS 209 N 0.66 0.09 -0.37 0.00 -0.00 -0.22 -2.95 115.15 112.35 1dfh h HIS 209 Ca 0.38 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.79 1dfh h HIS 209 Cb 0.42 -0.03 -0.04 0.00 -0.00 0.00 0.00 27.41 27.76 1dfh h HIS 209 CO -0.09 0.23 0.13 0.00 -0.00 0.00 0.00 177.93 178.20 1dfh h GLU 211 N 0.28 0.47 -0.30 0.00 5.08 -1.19 -0.75 114.58 118.16 1dfh h GLU 211 Ca 0.17 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 1dfh h GLU 211 Cb 0.15 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1dfh h GLU 211 CO -0.17 0.31 -0.30 0.00 -1.00 0.00 0.00 179.01 177.84 1dfh h ALA 212 N 1.56 0.45 -0.05 3.43 0.00 -1.16 -3.32 119.26 120.16 1dfh h ALA 212 Ca 0.43 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1dfh h ALA 212 Cb 0.66 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1dfh h ALA 212 CO -0.40 0.48 0.00 1.33 0.00 0.00 0.00 179.25 180.65 1dfh n VAL 213 N -4.23 0.04 -2.45 0.00 0.24 -0.84 -4.92 118.33 106.16 1dfh n VAL 213 Ca -0.04 -0.52 -0.42 0.00 -2.04 0.00 0.00 64.34 61.33 1dfh n VAL 213 Cb 0.48 1.40 -0.03 0.00 -1.47 0.00 0.00 33.84 34.22 1dfh n VAL 213 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1dfh s THR 214 N -1.71 4.09 0.20 3.34 2.01 -0.31 -4.88 115.64 118.38 1dfh s THR 214 Ca 0.25 1.51 -0.21 0.00 0.31 0.00 0.00 61.69 63.56 1dfh s THR 214 Cb 0.18 -3.97 0.14 0.00 0.01 0.00 0.00 72.50 68.86 1dfh s THR 214 CO 0.26 0.13 1.58 -0.65 -0.69 0.00 0.00 174.62 175.24 1dfh h PRO 215 N 6.69 -0.12 0.00 4.92 0.11 -1.82 1.01 132.00 142.79 1dfh h PRO 215 Ca -0.42 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1dfh h PRO 215 Cb 1.21 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1dfh h PRO 215 CO 0.80 -0.08 0.00 0.44 -0.21 0.00 0.00 178.00 178.95 1dfh n ILE 216 N -5.44 0.18 -2.73 4.15 -5.35 -1.15 -4.88 119.36 104.13 1dfh n ILE 216 Ca 0.05 0.04 -0.22 0.00 -0.27 0.00 0.00 62.75 62.36 1dfh n ILE 216 Cb 0.36 -0.79 0.01 0.00 -1.74 0.00 0.00 39.64 37.49 1dfh n ILE 216 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1dfh n ARG 217 N -1.09 -3.41 -3.50 6.28 5.12 0.35 -4.97 116.66 115.43 1dfh n ARG 217 Ca 0.11 0.96 -0.11 0.00 -1.93 0.00 0.00 57.85 56.88 1dfh n ARG 217 Cb 0.08 -5.73 -0.02 0.00 -1.16 0.00 0.00 32.46 25.63 1dfh n ARG 217 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 1dfh s ARG 218 N -5.40 1.33 0.43 5.56 1.70 -1.25 -4.87 118.95 116.45 1dfh s ARG 218 Ca 0.16 -0.55 -0.08 0.00 -0.47 0.00 0.00 55.73 54.79 1dfh s ARG 218 Cb -0.07 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 34.83 1dfh s ARG 218 CO 0.20 -0.59 0.78 0.95 -1.08 0.00 0.00 175.30 175.56 1dfh s THR 219 N -3.73 4.84 0.69 4.99 -4.23 -1.26 -4.80 115.64 112.15 1dfh s THR 219 Ca 0.03 0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 60.88 1dfh s THR 219 Cb -0.02 -3.79 0.01 0.00 1.34 0.00 0.00 72.50 70.04 1dfh s THR 219 CO -0.09 -0.65 1.07 0.68 -0.54 0.00 0.00 174.62 175.09 1dfh s VAL 220 N -2.52 3.87 0.46 2.29 -7.23 -1.26 -5.00 120.40 111.00 1dfh s VAL 220 Ca 0.50 0.61 0.06 0.00 -1.81 0.00 0.00 61.98 61.33 1dfh s VAL 220 Cb -0.10 -3.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.29 1dfh s VAL 220 CO 0.37 -0.79 0.20 0.42 -0.31 0.00 0.00 175.10 174.99 1dfh s THR 221 N -3.22 1.98 -0.21 5.32 -4.23 -1.26 -4.42 115.64 109.59 1dfh s THR 221 Ca 0.58 -1.69 0.28 0.00 -1.18 0.00 0.00 61.69 59.67 1dfh s THR 221 Cb -0.12 -2.68 0.31 0.00 1.34 0.00 0.00 72.50 71.36 1dfh s THR 221 CO 0.53 0.00 1.84 0.16 -0.54 0.00 0.00 174.62 176.61 1dfh h ILE 222 N 1.26 0.00 -0.04 2.99 3.07 -1.94 -1.59 117.51 121.25 1dfh h ILE 222 Ca -0.42 -0.36 -0.20 0.00 1.55 0.00 0.00 64.86 65.44 1dfh h ILE 222 Cb 1.27 1.21 0.01 0.00 -0.27 0.00 0.00 36.82 39.05 1dfh h ILE 222 CO 0.68 0.00 -0.74 -0.33 -1.05 0.00 0.00 178.15 176.71 1dfh h GLU 223 N 0.00 0.57 -0.31 0.16 3.07 -1.95 0.40 114.58 116.52 1dfh h GLU 223 Ca 0.00 -0.56 0.01 0.00 -0.50 0.00 0.00 59.36 58.31 1dfh h GLU 223 Cb 0.43 0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.47 1dfh h GLU 223 CO 0.00 1.18 0.18 -0.44 -1.40 0.00 0.00 179.01 178.54 1dfh h ASP 224 N 0.18 0.30 -0.19 1.42 3.32 -1.70 0.18 116.42 119.93 1dfh h ASP 224 Ca -0.08 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1dfh h ASP 224 Cb 1.41 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 1dfh h ASP 224 CO 0.15 0.22 -0.02 0.58 -1.72 0.00 0.00 179.24 178.45 1dfh h VAL 225 N 0.38 1.27 -0.73 -1.35 2.07 -1.39 -2.41 116.25 114.09 1dfh h VAL 225 Ca 0.12 -0.94 0.09 0.00 0.82 0.00 0.00 66.70 66.79 1dfh h VAL 225 Cb -0.01 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 1dfh h VAL 225 CO -0.05 0.29 0.38 1.23 0.02 0.00 0.00 177.57 179.43 1dfh h GLY 226 N 0.09 1.10 1.09 2.17 0.00 0.15 0.11 103.07 107.77 1dfh h GLY 226 Ca 0.05 -0.24 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 1dfh h GLY 226 CO 0.01 0.08 -0.13 3.43 0.00 0.00 0.00 176.54 179.93 1dfh h ASN 227 N 0.65 1.01 -0.59 0.19 2.35 -0.50 -0.73 115.58 117.96 1dfh h ASN 227 Ca 0.35 -0.36 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 1dfh h ASN 227 Cb 0.35 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1dfh h ASN 227 CO -0.25 1.14 0.11 0.28 -1.65 0.00 0.00 177.43 177.05 1dfh h SER 228 N 0.86 0.95 -0.52 5.81 0.02 -0.86 -2.06 113.55 117.76 1dfh h SER 228 Ca 0.13 -0.21 -0.04 0.00 -0.84 0.00 0.00 61.79 60.83 1dfh h SER 228 Cb 0.70 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 1dfh h SER 228 CO 0.05 0.95 0.17 0.00 -1.14 0.00 0.00 176.83 176.85 1dfh h ALA 229 N 1.17 0.68 -0.32 3.77 0.00 -0.46 -0.50 119.26 123.60 1dfh h ALA 229 Ca 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1dfh h ALA 229 Cb 0.40 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1dfh h ALA 229 CO 0.01 0.33 0.18 0.00 0.00 0.00 0.00 179.25 179.77 1dfh h ALA 230 N 1.03 0.41 0.06 0.00 0.00 -0.95 -1.16 119.26 118.64 1dfh h ALA 230 Ca 0.17 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1dfh h ALA 230 Cb 0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dfh h ALA 230 CO -0.01 -0.07 -0.03 0.35 0.00 0.00 0.00 179.25 179.49 1dfh h PHE 231 N 0.40 -0.09 0.00 0.00 3.57 -1.19 -2.26 116.94 117.37 1dfh h PHE 231 Ca 0.11 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1dfh h PHE 231 Cb 0.05 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1dfh h PHE 231 CO -0.03 -0.06 0.00 -0.07 -2.23 0.00 0.00 178.31 175.92 1dfh h LEU 232 N -0.09 0.00 -1.15 0.59 3.38 -0.83 -0.81 115.31 116.40 1dfh h LEU 232 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1dfh h LEU 232 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1dfh h LEU 232 CO 0.01 0.00 -0.33 0.00 0.09 0.00 0.00 178.44 178.21 1dfh s SER 234 N -2.36 5.91 0.08 0.00 1.04 -0.31 -4.73 113.70 113.33 1dfh s SER 234 Ca 0.22 -0.14 0.14 0.00 0.48 0.00 0.00 55.95 56.64 1dfh s SER 234 Cb 0.19 -1.21 0.60 0.00 0.10 0.00 0.00 66.02 65.69 1dfh s SER 234 CO 0.50 -0.52 1.42 0.47 0.98 0.00 0.00 173.24 176.10 1dfh n ASP 235 N -1.74 0.18 0.26 7.02 8.00 -1.26 -1.74 116.55 127.28 1dfh n ASP 235 Ca 0.01 0.56 0.10 0.00 0.71 0.00 0.00 54.79 56.16 1dfh n ASP 235 Cb 0.58 -0.59 0.69 0.00 -0.02 0.00 0.00 41.12 41.78 1dfh n ASP 235 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1dfh h LEU 236 N 0.00 0.00 -3.67 0.64 4.07 -1.88 -2.39 115.31 112.07 1dfh h LEU 236 Ca 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 57.88 57.69 1dfh h LEU 236 Cb 0.19 0.00 -0.16 0.00 1.08 0.00 0.00 40.66 41.77 1dfh h LEU 236 CO 0.00 0.06 0.27 -1.54 -1.08 0.00 0.00 178.44 176.15 1dfh n SER 237 N -4.18 3.94 0.25 -0.43 3.41 -0.71 -4.70 113.62 111.20 1dfh n SER 237 Ca -0.03 -3.42 0.15 0.00 -0.26 0.00 0.00 58.87 55.31 1dfh n SER 237 Cb 0.15 -0.73 0.66 0.00 -0.26 0.00 0.00 64.21 64.03 1dfh n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dfh h ALA 238 N 1.77 1.70 -0.03 7.33 0.00 -1.58 0.26 119.26 128.72 1dfh h ALA 238 Ca 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1dfh h ALA 238 Cb 2.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.04 1dfh h ALA 238 CO 0.71 -0.58 0.00 0.41 0.00 0.00 0.00 179.25 179.78 1dfh n GLY 239 N -1.35 0.02 3.31 0.00 0.00 -1.26 -4.85 105.19 101.06 1dfh n GLY 239 Ca 0.02 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 1dfh n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dfh s ILE 240 N -1.98 3.11 -0.16 -0.61 1.01 0.93 -5.09 121.20 118.41 1dfh s ILE 240 Ca 0.38 -0.60 -0.20 0.00 0.00 0.00 0.00 60.65 60.23 1dfh s ILE 240 Cb 0.21 -2.37 0.05 0.00 0.01 0.00 0.00 42.46 40.36 1dfh s ILE 240 CO 0.33 0.47 0.53 -0.55 0.00 0.00 0.00 174.94 175.72 1dfh s SER 241 N 1.06 -0.53 -0.54 3.58 0.15 -1.26 -4.75 113.70 111.41 1dfh s SER 241 Ca 0.00 0.90 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1dfh s SER 241 Cb -0.15 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1dfh s SER 241 CO -0.02 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.75 1dfh n GLY 242 N 2.33 0.77 3.86 9.45 0.00 0.29 -4.95 105.19 116.94 1dfh n GLY 242 Ca -0.15 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 1dfh n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dfh s GLU 243 N -2.20 3.28 -0.40 1.61 2.56 -1.25 -4.65 118.70 117.65 1dfh s GLU 243 Ca 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 54.97 54.48 1dfh s GLU 243 Cb 0.00 -2.97 0.10 0.00 2.00 0.00 0.00 34.13 33.26 1dfh s GLU 243 CO 0.00 0.63 0.21 0.08 -0.56 0.00 0.00 175.26 175.62 1dfh s VAL 244 N -1.36 3.52 -0.24 3.70 1.01 -1.26 0.07 120.40 125.83 1dfh s VAL 244 Ca 0.29 -1.83 -0.19 0.00 0.00 0.00 0.00 61.98 60.24 1dfh s VAL 244 Cb -0.13 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 1dfh s VAL 244 CO 0.21 -0.60 0.58 -0.69 0.00 0.00 0.00 175.10 174.60 1dfh s VAL 245 N 1.23 5.03 -0.22 2.92 1.01 0.11 -4.83 120.40 125.65 1dfh s VAL 245 Ca 0.05 1.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.79 1dfh s VAL 245 Cb -0.23 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1dfh s VAL 245 CO -0.02 0.07 1.02 -1.00 0.00 0.00 0.00 175.10 175.17 1dfh s HIS 246 N 2.27 3.35 -0.73 5.22 3.76 -1.26 -0.13 115.29 127.77 1dfh s HIS 246 Ca 0.25 1.46 0.04 0.00 -0.15 0.00 0.00 55.06 56.65 1dfh s HIS 246 Cb -0.16 -3.25 0.25 0.00 1.11 0.00 0.00 32.58 30.54 1dfh s HIS 246 CO 0.09 -0.45 0.86 0.28 -0.85 0.00 0.00 174.74 174.67 1dfh n VAL 247 N 5.24 2.87 -1.57 -0.90 0.31 0.66 -4.77 118.33 120.18 1dfh n VAL 247 Ca 0.11 -5.32 0.04 0.00 -0.01 0.00 0.00 64.34 59.15 1dfh n VAL 247 Cb 0.46 -2.11 0.05 0.00 -0.91 0.00 0.00 33.84 31.33 1dfh n VAL 247 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1dfh n ASP 248 N 1.05 0.93 -0.50 4.52 5.75 -1.26 -1.46 116.55 125.57 1dfh n ASP 248 Ca 0.28 -2.37 -0.07 0.00 -0.01 0.00 0.00 54.79 52.63 1dfh n ASP 248 Cb 0.39 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.18 1dfh n ASP 248 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dfh n GLY 249 N -0.55 0.86 1.40 6.12 0.00 -1.26 -2.92 105.19 108.84 1dfh n GLY 249 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1dfh n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dfh n GLY 250 N -1.68 0.75 0.24 -0.02 0.00 -1.26 -2.95 105.19 100.27 1dfh n GLY 250 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 1dfh n GLY 250 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1dfh h PHE 251 N 0.00 -0.49 0.00 1.61 3.04 -1.88 -2.25 116.94 116.98 1dfh h PHE 251 Ca 0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.99 1dfh h PHE 251 Cb 0.00 0.27 0.00 0.00 2.56 0.00 0.00 35.95 38.78 1dfh h PHE 251 CO 0.00 -0.27 0.00 -1.13 -2.02 0.00 0.00 178.31 174.89 1dfh n SER 252 N -5.36 0.64 -0.71 0.41 3.41 -1.26 -3.25 113.62 107.50 1dfh n SER 252 Ca 0.01 0.72 0.13 0.00 -0.26 0.00 0.00 58.87 59.47 1dfh n SER 252 Cb 0.27 -0.83 0.26 0.00 -0.26 0.00 0.00 64.21 63.65 1dfh n SER 252 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1dfh n ILE 253 N -2.27 0.00 -4.14 -1.33 -6.64 -0.84 -4.92 119.36 99.21 1dfh n ILE 253 Ca 0.00 -0.37 -0.24 0.00 -1.77 0.00 0.00 62.75 60.38 1dfh n ILE 253 Cb 0.13 1.06 -0.07 0.00 -1.44 0.00 0.00 39.64 39.32 1dfh n ILE 253 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1dfh s ALA 254 N -2.07 3.49 -0.13 -1.28 0.00 -1.20 -5.14 121.76 115.42 1dfh s ALA 254 Ca 0.30 -1.96 -0.17 0.00 0.00 0.00 0.00 51.96 50.14 1dfh s ALA 254 Cb 0.20 -0.54 0.04 0.00 0.00 0.00 0.00 23.12 22.82 1dfh s ALA 254 CO 0.35 -0.04 0.45 0.00 0.00 0.00 0.00 175.76 176.52 1dfh s ALA 255 N -2.51 -1.12 -1.29 0.00 0.00 -1.26 -4.94 121.76 110.65 1dfh s ALA 255 Ca 0.39 1.12 -0.08 0.00 0.00 0.00 0.00 51.96 53.38 1dfh s ALA 255 Cb 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.59 1dfh s ALA 255 CO 0.22 -0.24 1.12 -1.33 0.00 0.00 0.00 175.76 175.54 1dfh n MET 256 N 2.40 -7.56 0.00 0.00 2.81 -1.26 -4.84 117.12 108.67 1dfh n MET 256 Ca -0.15 0.79 0.00 0.00 -1.81 0.00 0.00 57.70 56.53 1dfh n MET 256 Cb 0.57 -5.72 0.00 0.00 -0.71 0.00 0.00 33.22 27.36 1dfh n MET 256 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1dfh n ASN 257 N -2.80 0.06 0.00 7.83 5.03 -1.26 -5.22 115.26 118.89 1dfh n ASN 257 Ca -0.00 -0.71 0.00 0.00 0.87 0.00 0.00 54.58 54.74 1dfh n ASN 257 Cb 0.56 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 1dfh n ASN 257 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59