#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2flf n ARG 2 N 0.00 0.00 0.00 2.12 5.12 -1.26 -2.92 116.66 119.72 2flf n ARG 2 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2flf n ARG 2 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2flf n ARG 2 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2flf n ALA 3 N -0.20 0.00 -0.01 7.54 0.00 -1.26 -0.31 120.51 126.27 2flf n ALA 3 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2flf n ALA 3 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2flf n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2flf h ARG 4 N 0.00 0.78 -0.83 0.00 3.08 -1.97 -2.81 114.38 112.63 2flf h ARG 4 Ca 0.00 -0.68 0.11 0.00 0.07 0.00 0.00 59.98 59.48 2flf h ARG 4 Cb 0.00 0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.12 2flf h ARG 4 CO 0.00 1.27 0.46 1.25 -1.07 0.00 0.00 179.97 181.89 2flf h LEU 5 N 0.51 0.63 -0.02 3.04 5.85 -1.19 0.43 115.31 124.56 2flf h LEU 5 Ca -0.07 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2flf h LEU 5 Cb 1.47 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 42.45 2flf h LEU 5 CO 0.17 0.33 -0.00 0.22 -0.34 0.00 0.00 178.44 178.82 2flf h TYR 6 N 0.74 -0.01 -0.92 1.25 3.20 -0.66 -2.00 116.97 118.57 2flf h TYR 6 Ca 0.42 0.00 0.22 0.00 3.14 0.00 0.00 58.73 62.51 2flf h TYR 6 Cb 0.46 0.01 -0.12 0.00 1.54 0.00 0.00 36.73 38.61 2flf h TYR 6 CO -0.07 -0.01 0.46 0.00 -1.64 0.00 0.00 178.16 176.90 2flf h ALA 7 N 1.02 1.53 -0.12 1.82 0.00 -0.68 0.08 119.26 122.91 2flf h ALA 7 Ca 0.01 0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 2flf h ALA 7 Cb 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2flf h ALA 7 CO -0.02 -0.29 -0.61 0.00 0.00 0.00 0.00 179.25 178.33 2flf h ALA 8 N 1.70 0.72 -0.15 0.00 0.00 -0.71 -1.97 119.26 118.84 2flf h ALA 8 Ca 0.58 -0.55 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 2flf h ALA 8 Cb 1.07 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.79 2flf h ALA 8 CO -0.49 0.72 -0.57 0.74 0.00 0.00 0.00 179.25 179.64 2flf h PHE 9 N 0.31 0.86 -0.53 0.00 -1.00 -0.32 -1.53 116.94 114.73 2flf h PHE 9 Ca -0.01 -0.36 -0.12 0.00 2.81 0.00 0.00 57.97 60.29 2flf h PHE 9 Cb 1.15 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.55 2flf h PHE 9 CO 0.04 1.16 -0.13 -0.09 -1.61 0.00 0.00 178.31 177.67 2flf h ARG 10 N 0.32 1.02 0.62 1.51 2.43 -1.31 -1.97 114.38 116.99 2flf h ARG 10 Ca -0.03 -0.39 -0.03 0.00 -0.81 0.00 0.00 59.98 58.73 2flf h ARG 10 Cb 1.20 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2flf h ARG 10 CO 0.12 1.07 -0.36 0.37 -1.51 0.00 0.00 179.97 179.66 2flf h GLN 11 N 0.90 -0.88 -0.85 0.20 4.15 -1.36 -1.22 115.11 116.05 2flf h GLN 11 Ca 0.13 0.06 0.16 0.00 0.77 0.00 0.00 58.65 59.77 2flf h GLN 11 Cb 0.70 0.20 -0.10 0.00 0.21 0.00 0.00 27.48 28.49 2flf h GLN 11 CO 0.05 -0.58 0.42 0.28 -1.93 0.00 0.00 178.83 177.07 2flf h VAL 12 N -0.91 0.68 0.94 2.39 2.07 -1.29 0.14 116.25 120.28 2flf h VAL 12 Ca -0.08 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 2flf h VAL 12 Cb 0.72 0.06 0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2flf h VAL 12 CO 0.10 0.10 -0.49 1.23 0.02 0.00 0.00 177.57 178.53 2flf h GLY 13 N 0.57 -1.40 0.12 2.17 0.00 -1.18 0.85 103.07 104.20 2flf h GLY 13 Ca 0.48 0.53 0.17 0.00 0.00 0.00 0.00 47.33 48.52 2flf h GLY 13 CO -0.39 -0.50 0.49 0.83 0.00 0.00 0.00 176.54 176.97 2flf h GLU 14 N -1.31 0.61 0.28 4.80 5.08 -0.68 -0.65 114.58 122.71 2flf h GLU 14 Ca -0.13 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2flf h GLU 14 Cb 1.02 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2flf h GLU 14 CO 0.19 0.41 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.03 2flf h ASP 15 N 0.63 -0.31 -0.33 1.42 3.45 -0.25 -0.20 116.42 120.82 2flf h ASP 15 Ca 0.52 -0.22 0.10 0.00 0.43 0.00 0.00 57.03 57.86 2flf h ASP 15 Cb 0.81 0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.65 2flf h ASP 15 CO -0.40 0.11 0.32 -0.07 -1.57 0.00 0.00 179.24 177.63 2flf h LEU 16 N -0.81 0.00 0.04 1.55 3.38 0.12 -0.69 115.31 118.89 2flf h LEU 16 Ca -0.04 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.64 2flf h LEU 16 Cb 0.51 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 2flf h LEU 16 CO 0.06 0.00 -1.62 0.15 0.09 0.00 0.00 178.44 177.13 2flf h PHE 17 N 0.00 0.14 0.00 1.13 3.57 -1.06 -2.00 116.94 118.71 2flf h PHE 17 Ca 0.16 -0.10 -0.08 0.00 3.53 0.00 0.00 57.97 61.48 2flf h PHE 17 Cb 0.79 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2flf h PHE 17 CO 0.00 1.17 -0.37 0.00 -2.23 0.00 0.00 178.31 176.87 2flf h ALA 18 N 0.80 1.04 -0.20 2.41 0.00 0.43 -2.88 119.26 120.85 2flf h ALA 18 Ca -0.26 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2flf h ALA 18 Cb 1.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.71 2flf h ALA 18 CO 0.10 0.47 0.00 1.04 0.00 0.00 0.00 179.25 180.86 2flf n GLN 19 N -3.60 1.86 -0.60 0.00 1.13 -0.66 -4.94 117.38 110.57 2flf n GLN 19 Ca -0.01 -1.29 0.00 0.00 -1.94 0.00 0.00 57.00 53.77 2flf n GLN 19 Cb 0.49 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.43 2flf n GLN 19 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2flf n GLY 20 N 1.19 1.44 0.11 1.08 0.00 -1.09 -4.88 105.19 103.04 2flf n GLY 20 Ca 0.16 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.27 2flf n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2flf n LEU 21 N 0.00 0.44 -3.63 0.99 4.77 -0.78 -4.67 117.00 114.13 2flf n LEU 21 Ca 0.00 0.67 -0.16 0.00 -0.03 0.00 0.00 56.01 56.49 2flf n LEU 21 Cb 0.00 -0.68 -0.07 0.00 -2.33 0.00 0.00 43.42 40.34 2flf n LEU 21 CO 0.00 -0.70 0.27 0.27 -1.33 0.00 0.00 177.39 175.89 2flf s ILE 22 N -3.34 0.02 0.64 -0.08 -4.36 -1.06 0.87 121.20 113.89 2flf s ILE 22 Ca 0.01 -0.15 -0.10 0.00 -0.26 0.00 0.00 60.65 60.15 2flf s ILE 22 Cb 0.06 -0.83 0.15 0.00 1.25 0.00 0.00 42.46 43.09 2flf s ILE 22 CO 0.22 -0.08 0.88 -1.54 0.24 0.00 0.00 174.94 174.66 2flf n SER 23 N 1.42 0.17 -0.32 4.36 3.41 -1.26 -4.51 113.62 116.88 2flf n SER 23 Ca -0.19 -1.38 0.22 0.00 -0.26 0.00 0.00 58.87 57.26 2flf n SER 23 Cb 0.56 -0.66 0.43 0.00 -0.26 0.00 0.00 64.21 64.29 2flf n SER 23 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2flf h ALA 24 N -1.70 1.74 0.00 7.33 0.00 -1.96 -3.02 119.26 121.65 2flf h ALA 24 Ca -0.28 0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2flf h ALA 24 Cb 0.81 0.29 -0.19 0.00 0.00 0.00 0.00 17.79 18.69 2flf h ALA 24 CO 0.21 -0.63 -0.73 0.25 0.00 0.00 0.00 179.25 178.34 2flf n THR 25 N -5.19 0.87 -4.15 0.00 -2.24 -1.26 -2.01 114.28 100.29 2flf n THR 25 Ca 0.30 -1.74 -0.23 0.00 -2.27 0.00 0.00 64.05 60.12 2flf n THR 25 Cb 0.95 0.45 -0.06 0.00 -2.10 0.00 0.00 70.33 69.57 2flf n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2flf s ALA 26 N -1.28 3.43 0.01 6.98 0.00 -1.14 -4.45 121.76 125.32 2flf s ALA 26 Ca 0.32 -1.63 0.00 0.00 0.00 0.00 0.00 51.96 50.64 2flf s ALA 26 Cb 0.34 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2flf s ALA 26 CO -0.11 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.24 2flf n GLY 27 N -1.09 -2.12 3.43 0.00 0.00 -1.26 -4.56 105.19 99.59 2flf n GLY 27 Ca -0.05 -1.48 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 2flf n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2flf s ASN 28 N -4.83 -0.48 0.08 1.61 2.20 -1.16 -5.01 114.94 107.36 2flf s ASN 28 Ca 0.00 -0.11 -0.16 0.00 -0.94 0.00 0.00 52.86 51.64 2flf s ASN 28 Cb 0.00 0.58 0.03 0.00 -2.00 0.00 0.00 41.25 39.87 2flf s ASN 28 CO 0.00 -0.98 0.38 0.72 -2.94 0.00 0.00 177.10 174.28 2flf s PHE 29 N -3.78 -0.19 0.21 1.54 -0.12 -1.26 -0.23 117.98 114.15 2flf s PHE 29 Ca 0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 56.93 56.74 2flf s PHE 29 Cb -0.01 0.20 0.02 0.00 -0.63 0.00 0.00 43.02 42.60 2flf s PHE 29 CO -0.11 -0.61 0.53 -1.54 -0.05 0.00 0.00 175.22 173.43 2flf s SER 30 N -2.40 -0.22 0.17 1.98 1.04 0.88 -3.00 113.70 112.16 2flf s SER 30 Ca -0.01 -0.59 0.08 0.00 0.48 0.00 0.00 55.95 55.91 2flf s SER 30 Cb 0.01 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 2flf s SER 30 CO -0.07 -1.10 -0.15 0.68 0.98 0.00 0.00 173.24 173.58 2flf s VAL 31 N -3.91 1.66 0.50 5.02 -7.23 -0.87 0.09 120.40 115.67 2flf s VAL 31 Ca 0.12 -2.01 -0.13 0.00 -1.81 0.00 0.00 61.98 58.16 2flf s VAL 31 Cb -0.01 -1.87 -0.06 0.00 0.56 0.00 0.00 36.38 35.00 2flf s VAL 31 CO 0.00 -0.47 0.91 -0.60 -0.31 0.00 0.00 175.10 174.64 2flf s ARG 32 N -3.16 3.79 0.23 4.82 3.52 -1.06 -0.23 118.95 126.86 2flf s ARG 32 Ca 0.17 0.71 -0.13 0.00 -0.13 0.00 0.00 55.73 56.35 2flf s ARG 32 Cb -0.03 -2.22 0.00 0.00 -1.56 0.00 0.00 34.95 31.14 2flf s ARG 32 CO 0.06 -0.26 0.47 0.95 -0.81 0.00 0.00 175.30 175.71 2flf s THR 33 N -2.67 0.02 0.13 4.11 -4.23 0.58 -4.75 115.64 108.82 2flf s THR 33 Ca 0.55 -1.27 -0.32 0.00 -1.18 0.00 0.00 61.69 59.46 2flf s THR 33 Cb -0.10 -2.02 -0.10 0.00 1.34 0.00 0.00 72.50 71.62 2flf s THR 33 CO 0.37 -0.07 1.55 0.11 -0.54 0.00 0.00 174.62 176.04 2flf h LYS 34 N 2.28 -0.36 0.00 3.99 1.57 -2.00 -3.18 116.57 118.86 2flf h LYS 34 Ca -0.27 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2flf h LYS 34 Cb 1.25 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2flf h LYS 34 CO 0.37 -0.24 0.00 0.41 -0.57 0.00 0.00 179.45 179.42 2flf n GLY 35 N -1.38 -2.61 0.00 3.86 0.00 -1.26 -5.00 105.19 98.80 2flf n GLY 35 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2flf n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2flf n GLY 36 N -0.18 3.14 3.38 -0.02 0.00 -1.20 -4.46 105.19 105.85 2flf n GLY 36 Ca 0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 2flf n GLY 36 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2flf s PHE 37 N 2.54 2.11 -0.36 1.61 -0.12 0.20 0.21 117.98 124.17 2flf s PHE 37 Ca 0.00 -0.40 -0.10 0.00 -0.05 0.00 0.00 56.93 56.38 2flf s PHE 37 Cb 0.00 -1.06 0.03 0.00 -0.63 0.00 0.00 43.02 41.36 2flf s PHE 37 CO 0.00 0.42 0.19 -1.17 -0.05 0.00 0.00 175.22 174.61 2flf s LEU 38 N -2.59 4.62 0.42 -1.99 2.96 0.68 0.02 118.68 122.81 2flf s LEU 38 Ca 0.18 -0.97 0.07 0.00 -0.22 0.00 0.00 54.13 53.19 2flf s LEU 38 Cb -0.07 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.56 2flf s LEU 38 CO 0.08 -0.36 0.21 -0.51 -1.32 0.00 0.00 176.35 174.45 2flf s ILE 39 N 1.54 2.33 0.33 6.68 -1.16 -0.95 -2.06 121.20 127.92 2flf s ILE 39 Ca 0.02 -1.65 -0.07 0.00 -0.51 0.00 0.00 60.65 58.44 2flf s ILE 39 Cb -0.19 -2.97 -0.06 0.00 0.61 0.00 0.00 42.46 39.85 2flf s ILE 39 CO 0.06 0.00 0.63 0.42 -2.81 0.00 0.00 174.94 173.25 2flf s THR 40 N -2.59 4.94 0.33 4.00 -4.23 -1.16 -0.09 115.64 116.83 2flf s THR 40 Ca 0.42 0.25 -0.17 0.00 -1.18 0.00 0.00 61.69 61.01 2flf s THR 40 Cb 0.03 -3.74 -0.09 0.00 1.34 0.00 0.00 72.50 70.04 2flf s THR 40 CO 0.23 -0.40 0.79 -0.54 -0.54 0.00 0.00 174.62 174.15 2flf s LYS 41 N -3.69 4.10 0.80 3.99 1.02 -0.26 -3.49 119.74 122.22 2flf s LYS 41 Ca 0.47 0.81 -0.13 0.00 0.02 0.00 0.00 55.97 57.14 2flf s LYS 41 Cb -0.11 -2.44 0.08 0.00 -0.52 0.00 0.00 37.83 34.84 2flf s LYS 41 CO 0.31 0.15 1.18 -1.54 -0.92 0.00 0.00 175.35 174.53 2flf s SER 42 N -2.15 3.75 -1.41 2.83 1.04 -1.01 -4.05 113.70 112.69 2flf s SER 42 Ca 0.54 2.28 -0.06 0.00 0.48 0.00 0.00 55.95 59.20 2flf s SER 42 Cb -0.11 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.44 2flf s SER 42 CO 0.17 -2.56 0.34 0.61 0.98 0.00 0.00 173.24 172.78 2flf n GLY 43 N 0.26 -0.32 3.10 7.32 0.00 -1.26 -4.96 105.19 109.33 2flf n GLY 43 Ca 0.13 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 2flf n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2flf s VAL 44 N -4.01 0.09 -0.86 1.61 0.11 -1.26 -5.06 120.40 111.03 2flf s VAL 44 Ca 0.10 -0.77 -0.26 0.00 -2.93 0.00 0.00 61.98 58.11 2flf s VAL 44 Cb -0.05 -0.50 -0.19 0.00 -1.53 0.00 0.00 36.38 34.11 2flf s VAL 44 CO 0.93 -0.42 2.54 0.00 -3.33 0.00 0.00 175.10 174.81 2flf n GLN 45 N 1.33 0.30 0.00 1.54 1.13 -1.26 -4.45 117.38 115.98 2flf n GLN 45 Ca -0.22 -0.06 0.10 0.00 -1.94 0.00 0.00 57.00 54.88 2flf n GLN 45 Cb 0.56 -2.07 0.62 0.00 0.11 0.00 0.00 30.24 29.46 2flf n GLN 45 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2flf n LYS 46 N 8.24 0.95 -0.00 -1.09 5.02 -0.85 -2.48 118.16 127.94 2flf n LYS 46 Ca 0.58 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.92 2flf n LYS 46 Cb 0.20 -1.34 -0.08 0.00 -0.02 0.00 0.00 35.03 33.79 2flf n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2flf n ALA 47 N -0.84 2.94 -1.93 7.82 0.00 -1.26 -3.69 120.51 123.54 2flf n ALA 47 Ca 0.16 -0.30 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 2flf n ALA 47 Cb 0.07 -0.40 0.03 0.00 0.00 0.00 0.00 19.45 19.15 2flf n ALA 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2flf n ARG 48 N -1.59 3.49 -1.81 0.00 1.74 -1.04 -4.38 116.66 113.07 2flf n ARG 48 Ca -0.00 -4.06 -0.39 0.00 -0.77 0.00 0.00 57.85 52.63 2flf n ARG 48 Cb 0.24 -2.27 0.02 0.00 -1.02 0.00 0.00 32.46 29.43 2flf n ARG 48 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2flf s LEU 49 N -3.62 4.06 0.18 0.55 1.43 -1.17 -4.93 118.68 115.18 2flf s LEU 49 Ca 0.53 2.87 0.01 0.00 -1.03 0.00 0.00 54.13 56.51 2flf s LEU 49 Cb 0.42 -4.01 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 2flf s LEU 49 CO 0.03 -1.25 0.02 0.42 0.23 0.00 0.00 176.35 175.81 2flf s THR 50 N -1.23 0.60 0.20 5.49 -4.23 -1.26 -4.85 115.64 110.36 2flf s THR 50 Ca 0.63 -1.98 -0.13 0.00 -1.18 0.00 0.00 61.69 59.04 2flf s THR 50 Cb -0.43 -2.20 0.18 0.00 1.34 0.00 0.00 72.50 71.40 2flf s THR 50 CO 0.54 -0.39 1.66 -0.65 -0.54 0.00 0.00 174.62 175.23 2flf h PRO 51 N 2.66 0.07 0.00 3.99 0.11 -1.97 -0.41 132.00 136.45 2flf h PRO 51 Ca -0.37 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2flf h PRO 51 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2flf h PRO 51 CO 0.62 0.04 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 2flf n GLU 52 N -5.32 0.27 0.06 1.05 4.71 -1.26 -1.52 120.64 118.64 2flf n GLU 52 Ca 0.07 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.19 2flf n GLU 52 Cb 0.32 -1.40 -0.08 0.00 -1.01 0.00 0.00 31.44 29.27 2flf n GLU 52 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 2flf h ASP 53 N 0.00 0.00 -3.69 1.62 3.45 -1.47 -3.46 116.42 112.87 2flf h ASP 53 Ca 0.00 0.00 -0.50 0.00 0.43 0.00 0.00 57.03 56.96 2flf h ASP 53 Cb 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.76 2flf h ASP 53 CO 0.00 0.77 0.10 -0.76 -1.57 0.00 0.00 179.24 177.78 2flf s LEU 54 N -6.30 3.94 -0.14 1.55 1.43 -0.57 -1.10 118.68 117.49 2flf s LEU 54 Ca -0.00 1.18 -0.05 0.00 -1.03 0.00 0.00 54.13 54.22 2flf s LEU 54 Cb 0.09 -4.02 0.07 0.00 0.03 0.00 0.00 46.19 42.35 2flf s LEU 54 CO 0.80 -0.31 0.28 -0.22 0.23 0.00 0.00 176.35 177.14 2flf s LEU 55 N -3.46 -0.31 0.09 1.79 2.96 0.86 -4.90 118.68 115.71 2flf s LEU 55 Ca 0.52 0.65 -0.31 0.00 -0.22 0.00 0.00 54.13 54.77 2flf s LEU 55 Cb -0.10 0.79 -0.07 0.00 0.50 0.00 0.00 46.19 47.31 2flf s LEU 55 CO 0.25 -0.23 1.31 -0.70 -1.32 0.00 0.00 176.35 175.66 2flf s GLU 56 N 2.38 4.37 0.01 1.98 2.12 -1.26 -2.24 118.70 126.07 2flf s GLU 56 Ca 0.00 1.95 0.07 0.00 0.36 0.00 0.00 54.97 57.35 2flf s GLU 56 Cb -0.12 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 2flf s GLU 56 CO -0.09 -0.36 -0.22 0.08 -0.54 0.00 0.00 175.26 174.12 2flf s VAL 57 N 1.10 1.78 0.48 3.70 1.01 0.10 -4.95 120.40 123.61 2flf s VAL 57 Ca 0.62 -1.09 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2flf s VAL 57 Cb -0.34 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.55 2flf s VAL 57 CO 0.30 0.38 0.67 -2.16 0.00 0.00 0.00 175.10 174.29 2flf s PRO 58 N -0.84 2.78 0.00 2.72 0.04 -1.26 0.59 135.00 139.02 2flf s PRO 58 Ca 0.09 -0.85 0.25 0.00 0.04 0.00 0.00 61.00 60.53 2flf s PRO 58 Cb -0.09 -2.60 0.52 0.00 0.04 0.00 0.00 34.50 32.37 2flf s PRO 58 CO 0.00 -0.43 1.42 1.28 0.04 0.00 0.00 177.00 179.31 2flf n LEU 59 N -2.10 0.71 0.00 -3.56 4.32 -1.26 -4.73 117.00 110.38 2flf n LEU 59 Ca 0.06 -0.12 0.00 0.00 -0.02 0.00 0.00 56.01 55.93 2flf n LEU 59 Cb 0.59 -0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 2flf n LEU 59 CO 0.44 0.16 0.00 -0.62 -1.22 0.00 0.00 177.39 176.15 2flf n GLU 60 N -1.23 0.00 0.01 3.23 1.02 -1.26 -5.04 120.64 117.36 2flf n GLU 60 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2flf n GLU 60 Cb 0.34 -0.20 0.00 0.00 -0.02 0.00 0.00 31.44 31.56 2flf n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2flf n GLY 61 N 0.00 -0.13 3.64 0.62 0.00 -1.26 -5.08 105.19 102.97 2flf n GLY 61 Ca 0.00 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2flf n GLY 61 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2flf s PRO 62 N -2.00 4.14 -0.53 1.61 0.02 -1.26 -5.02 135.00 131.97 2flf s PRO 62 Ca 0.00 0.38 -0.23 0.00 0.02 0.00 0.00 61.00 61.17 2flf s PRO 62 Cb 0.00 -3.60 0.04 0.00 0.02 0.00 0.00 34.50 30.96 2flf s PRO 62 CO 0.00 -0.24 0.88 0.42 -0.33 0.00 0.00 177.00 177.73 2flf s ILE 63 N 1.93 4.49 0.51 2.83 1.09 -1.26 -4.78 121.20 126.02 2flf s ILE 63 Ca 0.23 0.20 -0.22 0.00 -1.10 0.00 0.00 60.65 59.76 2flf s ILE 63 Cb -0.15 -4.47 -0.07 0.00 -1.06 0.00 0.00 42.46 36.70 2flf s ILE 63 CO 0.09 -1.01 1.19 -0.81 -0.10 0.00 0.00 174.94 174.30 2flf n PRO 64 N 7.17 1.52 -2.61 2.79 -0.04 -1.26 -4.95 135.00 137.62 2flf n PRO 64 Ca 0.01 0.56 -0.37 0.00 -0.04 0.00 0.00 63.50 63.66 2flf n PRO 64 Cb 0.47 -2.35 -0.05 0.00 -0.04 0.00 0.00 33.50 31.54 2flf n PRO 64 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2flf s GLU 65 N -2.54 4.31 0.00 0.54 -1.05 -1.26 -3.47 118.70 115.23 2flf s GLU 65 Ca 0.68 1.47 0.00 0.00 -0.15 0.00 0.00 54.97 56.97 2flf s GLU 65 Cb -0.46 -2.64 0.00 0.00 -0.44 0.00 0.00 34.13 30.59 2flf s GLU 65 CO 0.52 0.00 0.00 0.41 0.95 0.00 0.00 175.26 177.14 2flf n GLY 66 N 0.41 0.51 3.77 -3.83 0.00 -1.26 -5.07 105.19 99.71 2flf n GLY 66 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 2flf n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2flf s ALA 67 N -2.00 3.61 0.05 4.61 0.00 -1.23 -2.41 121.76 124.39 2flf s ALA 67 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 51.96 51.49 2flf s ALA 67 Cb 0.00 -2.42 -0.07 0.00 0.00 0.00 0.00 23.12 20.63 2flf s ALA 67 CO 0.00 0.21 0.29 0.45 0.00 0.00 0.00 175.76 176.71 2flf n SER 68 N 3.03 -0.29 0.12 0.00 2.88 -1.23 -4.67 113.62 113.47 2flf n SER 68 Ca -0.12 0.44 0.11 0.00 -1.33 0.00 0.00 58.87 57.97 2flf n SER 68 Cb 0.52 -0.36 0.48 0.00 -0.75 0.00 0.00 64.21 64.10 2flf n SER 68 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2flf n VAL 69 N 0.24 0.95 1.80 2.46 0.31 -1.26 -0.13 118.33 122.69 2flf n VAL 69 Ca 0.07 0.38 0.14 0.00 -0.01 0.00 0.00 64.34 64.92 2flf n VAL 69 Cb 0.07 -1.32 0.75 0.00 -0.91 0.00 0.00 33.84 32.43 2flf n VAL 69 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2flf n GLU 70 N -2.15 1.25 -0.11 5.55 -0.58 -1.26 -4.04 120.64 119.30 2flf n GLU 70 Ca 0.01 -0.37 0.15 0.00 -0.42 0.00 0.00 57.16 56.53 2flf n GLU 70 Cb 0.16 -1.47 0.54 0.00 -0.57 0.00 0.00 31.44 30.10 2flf n GLU 70 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2flf h SER 71 N 0.88 0.31 -0.26 1.62 0.02 -0.82 -1.84 113.55 113.45 2flf h SER 71 Ca 0.00 0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2flf h SER 71 Cb 0.19 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.64 2flf h SER 71 CO 0.00 0.17 0.01 0.58 -1.14 0.00 0.00 176.83 176.45 2flf h VAL 72 N 0.33 0.83 0.29 2.27 2.07 -1.81 -1.91 116.25 118.33 2flf h VAL 72 Ca 0.32 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.79 2flf h VAL 72 Cb 0.78 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2flf h VAL 72 CO -0.08 0.02 -0.17 0.58 0.02 0.00 0.00 177.57 177.94 2flf h VAL 73 N 0.10 0.00 -0.84 2.57 2.07 -1.65 -1.59 116.25 116.92 2flf h VAL 73 Ca 0.12 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.76 2flf h VAL 73 Cb 0.15 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.79 2flf h VAL 73 CO -0.20 0.00 -0.37 1.41 0.02 0.00 0.00 177.57 178.44 2flf n HIS 74 N -3.28 -0.06 0.09 1.57 8.25 -1.14 -0.51 115.22 120.14 2flf n HIS 74 Ca -0.05 1.04 -0.16 0.00 -0.26 0.00 0.00 57.72 58.28 2flf n HIS 74 Cb 0.18 -0.76 -0.10 0.00 1.12 0.00 0.00 29.99 30.43 2flf n HIS 74 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2flf h ARG 75 N 0.00 -0.70 -1.01 -0.41 2.43 -1.19 0.75 114.38 114.25 2flf h ARG 75 Ca 0.26 0.05 0.26 0.00 -0.81 0.00 0.00 59.98 59.73 2flf h ARG 75 Cb 0.47 0.16 -0.13 0.00 -0.42 0.00 0.00 29.97 30.05 2flf h ARG 75 CO -0.82 -0.46 0.60 1.49 -1.51 0.00 0.00 179.97 179.26 2flf h GLU 76 N -0.72 0.52 -0.57 0.20 4.57 0.23 0.68 114.58 119.49 2flf h GLU 76 Ca -0.00 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2flf h GLU 76 Cb 0.74 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 2flf h GLU 76 CO -0.31 0.34 0.34 0.28 -1.18 0.00 0.00 179.01 178.49 2flf h VAL 77 N 0.53 1.17 0.00 0.32 2.07 0.88 -0.29 116.25 120.94 2flf h VAL 77 Ca 0.66 -0.39 -0.06 0.00 0.82 0.00 0.00 66.70 67.73 2flf h VAL 77 Cb 1.31 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2flf h VAL 77 CO -0.48 0.18 -0.29 1.88 0.02 0.00 0.00 177.57 178.88 2flf h TYR 78 N 0.77 0.00 0.05 1.57 -1.99 0.23 -0.86 116.97 116.74 2flf h TYR 78 Ca 0.21 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.69 2flf h TYR 78 Cb -0.01 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.70 2flf h TYR 78 CO -0.02 0.29 -1.20 -0.09 -0.00 0.00 0.00 178.16 177.14 2flf h ARG 79 N 0.00 0.11 -0.10 4.88 2.43 0.46 -3.37 114.38 118.79 2flf h ARG 79 Ca -0.00 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 2flf h ARG 79 Cb 0.98 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2flf h ARG 79 CO 0.04 1.03 0.00 0.54 -1.51 0.00 0.00 179.97 180.07 2flf n ARG 80 N -3.39 1.90 -4.53 0.20 1.74 -0.17 -5.03 116.66 107.39 2flf n ARG 80 Ca -0.06 -1.43 -0.26 0.00 -0.77 0.00 0.00 57.85 55.33 2flf n ARG 80 Cb 0.99 -1.11 -0.08 0.00 -1.02 0.00 0.00 32.46 31.24 2flf n ARG 80 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2flf s THR 81 N -0.81 0.68 -1.91 0.55 2.01 -0.33 -4.89 115.64 110.94 2flf s THR 81 Ca 0.08 -2.00 0.16 0.00 0.31 0.00 0.00 61.69 60.24 2flf s THR 81 Cb 0.05 -2.36 0.10 0.00 0.01 0.00 0.00 72.50 70.30 2flf s THR 81 CO 0.06 0.00 0.98 0.61 -0.69 0.00 0.00 174.62 175.58 2flf n GLY 82 N -0.92 0.14 3.17 4.40 0.00 -1.26 -4.77 105.19 105.94 2flf n GLY 82 Ca -0.07 -0.46 -0.51 0.00 0.00 0.00 0.00 46.02 44.98 2flf n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2flf n ALA 83 N 0.72 -3.18 0.20 4.61 0.00 -1.26 -4.91 120.51 116.70 2flf n ALA 83 Ca 0.09 0.50 0.08 0.00 0.00 0.00 0.00 53.44 54.11 2flf n ALA 83 Cb 0.39 -1.57 0.14 0.00 0.00 0.00 0.00 19.45 18.41 2flf n ALA 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2flf n ARG 84 N 1.23 1.96 -3.56 0.00 5.12 0.26 -4.73 116.66 116.93 2flf n ARG 84 Ca 0.18 -1.83 -0.07 0.00 -1.93 0.00 0.00 57.85 54.20 2flf n ARG 84 Cb 0.12 -1.33 -0.03 0.00 -1.16 0.00 0.00 32.46 30.06 2flf n ARG 84 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2flf s ALA 85 N -1.14 -1.96 -0.20 7.54 0.00 -0.82 -2.56 121.76 122.62 2flf s ALA 85 Ca 0.25 1.43 -0.10 0.00 0.00 0.00 0.00 51.96 53.53 2flf s ALA 85 Cb 0.15 -0.18 0.07 0.00 0.00 0.00 0.00 23.12 23.15 2flf s ALA 85 CO 0.20 -0.53 0.47 -1.17 0.00 0.00 0.00 175.76 174.73 2flf s LEU 86 N -1.95 -0.38 -0.11 0.00 2.96 0.11 -1.52 118.68 117.79 2flf s LEU 86 Ca 0.05 1.04 0.03 0.00 -0.22 0.00 0.00 54.13 55.04 2flf s LEU 86 Cb -0.01 1.56 0.01 0.00 0.50 0.00 0.00 46.19 48.25 2flf s LEU 86 CO -0.05 -0.21 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.87 2flf s VAL 87 N 1.71 1.92 -0.19 1.68 1.01 -0.72 -0.08 120.40 125.73 2flf s VAL 87 Ca -0.08 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 2flf s VAL 87 Cb -0.09 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 2flf s VAL 87 CO -0.14 0.53 -0.00 -2.28 0.00 0.00 0.00 175.10 173.20 2flf s HIS 88 N 0.63 3.04 0.34 5.22 2.46 0.67 -1.56 115.29 126.10 2flf s HIS 88 Ca -0.12 -0.41 0.01 0.00 0.47 0.00 0.00 55.06 55.01 2flf s HIS 88 Cb -0.16 -2.06 -0.01 0.00 -0.13 0.00 0.00 32.58 30.22 2flf s HIS 88 CO 0.03 -0.19 0.41 0.00 -2.47 0.00 0.00 174.74 172.52 2flf s ALA 89 N 0.86 1.13 -0.53 1.58 0.00 -0.23 -2.96 121.76 121.60 2flf s ALA 89 Ca 0.01 -1.71 0.04 0.00 0.00 0.00 0.00 51.96 50.30 2flf s ALA 89 Cb -0.14 1.26 0.15 0.00 0.00 0.00 0.00 23.12 24.38 2flf s ALA 89 CO 0.02 -0.75 0.32 -1.01 0.00 0.00 0.00 175.76 174.34 2flf s HIS 90 N -3.17 2.66 -0.43 0.00 3.76 0.25 0.03 115.29 118.38 2flf s HIS 90 Ca 0.34 -2.87 -0.25 0.00 -0.15 0.00 0.00 55.06 52.12 2flf s HIS 90 Cb 0.01 -2.28 0.02 0.00 1.11 0.00 0.00 32.58 31.44 2flf s HIS 90 CO 0.23 -0.71 0.92 -1.25 -0.85 0.00 0.00 174.74 173.08 2flf s PRO 91 N -0.34 3.62 0.04 8.40 0.04 -1.26 -4.33 135.00 141.18 2flf s PRO 91 Ca 0.21 0.27 -0.09 0.00 0.04 0.00 0.00 61.00 61.43 2flf s PRO 91 Cb -0.17 -3.89 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 2flf s PRO 91 CO -0.06 -1.14 0.74 0.54 0.04 0.00 0.00 177.00 177.12 2flf n ARG 92 N 7.05 -0.12 0.34 4.56 1.74 -1.26 -0.87 116.66 128.09 2flf n ARG 92 Ca 0.06 0.73 -0.17 0.00 -0.77 0.00 0.00 57.85 57.71 2flf n ARG 92 Cb 0.48 -1.09 -0.09 0.00 -1.02 0.00 0.00 32.46 30.75 2flf n ARG 92 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2flf h VAL 93 N 0.00 0.33 -1.09 1.55 2.07 -1.92 -0.89 116.25 116.30 2flf h VAL 93 Ca 0.04 -0.16 0.32 0.00 0.82 0.00 0.00 66.70 67.73 2flf h VAL 93 Cb 0.11 0.39 -0.12 0.00 -1.52 0.00 0.00 31.29 30.15 2flf h VAL 93 CO -0.26 0.02 0.68 0.00 0.02 0.00 0.00 177.57 178.03 2flf h ALA 94 N -0.65 2.24 -0.06 1.67 0.00 -1.76 0.36 119.26 121.06 2flf h ALA 94 Ca -0.09 0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 2flf h ALA 94 Cb 0.68 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2flf h ALA 94 CO 0.14 -0.76 -0.69 0.28 0.00 0.00 0.00 179.25 178.22 2flf h VAL 95 N 0.32 1.40 -0.25 0.00 2.07 -0.56 -1.97 116.25 117.25 2flf h VAL 95 Ca 0.69 -2.13 -0.10 0.00 0.82 0.00 0.00 66.70 65.98 2flf h VAL 95 Cb 1.78 2.11 -0.00 0.00 -1.52 0.00 0.00 31.29 33.65 2flf h VAL 95 CO -0.43 0.63 -0.22 0.00 0.02 0.00 0.00 177.57 177.57 2flf h ALA 96 N 1.06 0.37 0.00 1.67 0.00 0.11 -3.01 119.26 119.46 2flf h ALA 96 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2flf h ALA 96 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2flf h ALA 96 CO 0.11 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.97 2flf n LEU 97 N -4.37 0.20 0.24 0.00 4.77 -0.59 -3.05 117.00 114.21 2flf n LEU 97 Ca -0.04 0.53 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 2flf n LEU 97 Cb 0.42 -0.48 0.43 0.00 -2.33 0.00 0.00 43.42 41.47 2flf n LEU 97 CO 0.43 -0.17 0.85 0.77 -1.33 0.00 0.00 177.39 177.93 2flf h SER 98 N 0.00 0.00 0.56 -1.43 4.64 -1.21 -2.95 113.55 113.16 2flf h SER 98 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2flf h SER 98 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2flf h SER 98 CO 0.00 0.11 0.00 -0.26 -0.87 0.00 0.00 176.83 175.81 2flf h PHE 99 N 0.00 0.00 0.00 4.77 -1.00 -1.65 -3.16 116.94 115.90 2flf h PHE 99 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2flf h PHE 99 Cb 0.78 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.34 2flf h PHE 99 CO 0.00 0.00 -0.60 0.72 -1.61 0.00 0.00 178.31 176.82 2flf n HIS 100 N -2.48 0.00 -3.48 -0.55 8.25 -1.12 -5.05 115.22 110.78 2flf n HIS 100 Ca 0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.27 2flf n HIS 100 Cb 0.19 -0.05 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 2flf n HIS 100 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2flf s LEU 101 N -2.65 3.53 0.00 2.41 1.43 -1.19 -4.98 118.68 117.22 2flf s LEU 101 Ca 0.01 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 2flf s LEU 101 Cb 0.05 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 44.00 2flf s LEU 101 CO 0.27 -0.60 0.00 -1.54 0.23 0.00 0.00 176.35 174.70 2flf n SER 102 N -1.59 4.76 -3.97 2.29 3.41 -1.26 -4.83 113.62 112.43 2flf n SER 102 Ca 0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.55 2flf n SER 102 Cb 0.61 0.84 -0.10 0.00 -0.26 0.00 0.00 64.21 65.29 2flf n SER 102 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2flf s ARG 103 N -1.92 0.46 -0.17 4.33 0.52 -1.26 -1.02 118.95 119.90 2flf s ARG 103 Ca 0.00 -0.74 -0.01 0.00 -0.52 0.00 0.00 55.73 54.46 2flf s ARG 103 Cb 0.00 0.17 0.05 0.00 0.52 0.00 0.00 34.95 35.69 2flf s ARG 103 CO 0.00 -0.10 -0.04 -1.17 0.02 0.00 0.00 175.30 174.02 2flf s LEU 104 N -1.91 1.61 -0.30 2.53 0.20 -0.01 -4.90 118.68 115.89 2flf s LEU 104 Ca -0.09 -0.71 -0.08 0.00 0.69 0.00 0.00 54.13 53.94 2flf s LEU 104 Cb -0.04 -0.88 0.00 0.00 -0.43 0.00 0.00 46.19 44.85 2flf s LEU 104 CO -0.03 -0.21 0.11 -0.13 -0.29 0.00 0.00 176.35 175.80 2flf s ARG 105 N 1.65 3.18 0.62 1.98 1.81 -1.26 -1.74 118.95 125.20 2flf s ARG 105 Ca 0.00 -0.81 -0.18 0.00 -1.72 0.00 0.00 55.73 53.02 2flf s ARG 105 Cb -0.16 -3.46 -0.02 0.00 -0.45 0.00 0.00 34.95 30.86 2flf s ARG 105 CO -0.07 -0.44 1.25 -2.14 -0.68 0.00 0.00 175.30 173.21 2flf s PRO 106 N 1.55 2.76 -0.13 3.54 0.02 -1.26 -4.93 135.00 136.54 2flf s PRO 106 Ca 0.03 1.93 0.19 0.00 0.02 0.00 0.00 61.00 63.17 2flf s PRO 106 Cb -0.17 -1.89 -0.26 0.00 0.02 0.00 0.00 34.50 32.20 2flf s PRO 106 CO 0.04 -1.40 0.26 1.28 -0.33 0.00 0.00 177.00 176.85 2flf n LEU 107 N -1.76 0.12 -4.81 -5.54 4.77 -1.26 -4.71 117.00 103.81 2flf n LEU 107 Ca 0.15 0.05 -0.33 0.00 -0.03 0.00 0.00 56.01 55.85 2flf n LEU 107 Cb 0.49 0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.87 2flf n LEU 107 CO 0.46 0.35 0.69 1.51 -1.33 0.00 0.00 177.39 179.07 2flf s ASP 108 N -5.32 6.48 0.20 -1.43 -4.77 -1.26 -4.94 116.67 105.63 2flf s ASP 108 Ca -0.09 1.80 -0.11 0.00 -3.30 0.00 0.00 52.55 50.85 2flf s ASP 108 Cb 0.08 -2.54 0.14 0.00 -1.09 0.00 0.00 42.92 39.51 2flf s ASP 108 CO 0.85 -0.68 1.85 0.25 0.70 0.00 0.00 175.17 178.13 2flf h LEU 109 N 1.44 0.71 -0.59 2.11 5.85 -1.99 -1.43 115.31 121.41 2flf h LEU 109 Ca -0.49 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 2flf h LEU 109 Cb 1.20 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2flf h LEU 109 CO 0.60 0.50 0.06 -0.08 -0.34 0.00 0.00 178.44 179.18 2flf h GLU 110 N 0.84 1.00 -0.49 1.25 4.81 -2.00 -2.63 114.58 117.36 2flf h GLU 110 Ca 0.25 -0.29 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 2flf h GLU 110 Cb -0.04 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2flf h GLU 110 CO -0.08 0.96 0.15 0.78 -0.73 0.00 0.00 179.01 180.09 2flf h GLY 111 N 0.90 0.82 2.00 1.92 0.00 -1.82 -2.63 103.07 104.26 2flf h GLY 111 Ca 0.17 -0.49 0.00 0.00 0.00 0.00 0.00 47.33 47.01 2flf h GLY 111 CO 0.02 0.46 0.00 1.46 0.00 0.00 0.00 176.54 178.48 2flf h GLN 112 N 0.66 0.00 0.17 4.80 4.20 -1.19 0.81 115.11 124.56 2flf h GLN 112 Ca 0.16 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.53 2flf h GLN 112 Cb 0.28 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.06 2flf h GLN 112 CO -0.00 0.00 -1.68 1.25 -0.67 0.00 0.00 178.83 177.72 2flf h HIS 113 N 0.00 0.66 0.00 2.96 2.76 -1.17 -3.33 115.15 117.03 2flf h HIS 113 Ca 0.00 -0.48 -0.46 0.00 -2.20 0.00 0.00 60.37 57.23 2flf h HIS 113 Cb 0.38 -0.03 -0.07 0.00 1.55 0.00 0.00 27.41 29.25 2flf h HIS 113 CO 0.00 1.66 -2.55 0.66 -1.30 0.00 0.00 177.93 176.40 2flf n TYR 114 N -3.67 0.00 -1.27 5.26 4.01 -1.02 -4.61 117.16 115.87 2flf n TYR 114 Ca -0.25 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.21 2flf n TYR 114 Cb 1.04 -1.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.21 2flf n TYR 114 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2flf n LEU 115 N -4.11 7.11 0.00 7.72 4.77 0.28 -4.82 117.00 127.95 2flf n LEU 115 Ca -0.54 -3.86 0.00 0.00 -0.03 0.00 0.00 56.01 51.58 2flf n LEU 115 Cb 0.90 -0.89 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2flf n LEU 115 CO 0.06 1.21 0.00 0.29 -1.33 0.00 0.00 177.39 177.62 2flf n LYS 116 N -1.06 0.00 -3.81 3.23 5.02 -1.13 -3.95 118.16 116.46 2flf n LYS 116 Ca 0.61 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.77 2flf n LYS 116 Cb 1.30 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 36.17 2flf n LYS 116 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2flf s GLU 117 N -1.98 0.06 -0.33 1.97 2.12 -1.26 -4.43 118.70 114.85 2flf s GLU 117 Ca 0.00 0.17 -0.02 0.00 0.36 0.00 0.00 54.97 55.48 2flf s GLU 117 Cb 0.00 -0.06 0.06 0.00 0.26 0.00 0.00 34.13 34.39 2flf s GLU 117 CO 0.00 -0.07 0.06 0.08 -0.54 0.00 0.00 175.26 174.78 2flf s VAL 118 N 0.46 3.12 0.50 3.70 1.01 -0.71 -4.78 120.40 123.71 2flf s VAL 118 Ca -0.04 -1.53 -0.20 0.00 0.00 0.00 0.00 61.98 60.21 2flf s VAL 118 Cb -0.05 -2.88 -0.08 0.00 0.00 0.00 0.00 36.38 33.38 2flf s VAL 118 CO -0.02 -0.25 1.07 -2.16 0.00 0.00 0.00 175.10 173.74 2flf s PRO 119 N 1.23 3.67 -0.26 2.72 0.04 -1.26 -0.83 135.00 140.31 2flf s PRO 119 Ca -0.01 1.46 -0.03 0.00 0.04 0.00 0.00 61.00 62.46 2flf s PRO 119 Cb -0.20 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.27 2flf s PRO 119 CO -0.02 -0.56 -0.02 0.08 0.04 0.00 0.00 177.00 176.53 2flf s VAL 120 N -1.88 3.21 -0.06 -0.36 1.01 -0.19 -0.52 120.40 121.62 2flf s VAL 120 Ca 0.69 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 61.57 2flf s VAL 120 Cb -0.19 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.49 2flf s VAL 120 CO 0.23 0.15 0.43 -0.76 0.00 0.00 0.00 175.10 175.15 2flf s LEU 121 N 1.38 4.38 -0.42 3.92 1.43 0.84 -4.77 118.68 125.43 2flf s LEU 121 Ca 0.01 0.87 -0.09 0.00 -1.03 0.00 0.00 54.13 53.90 2flf s LEU 121 Cb -0.17 -2.62 0.08 0.00 0.03 0.00 0.00 46.19 43.51 2flf s LEU 121 CO -0.02 0.17 0.26 0.00 0.23 0.00 0.00 176.35 176.99 2flf s ALA 122 N -0.26 3.29 0.29 4.21 0.00 -1.26 -1.50 121.76 126.53 2flf s ALA 122 Ca 0.24 -2.21 0.36 0.00 0.00 0.00 0.00 51.96 50.35 2flf s ALA 122 Cb -0.16 -2.64 1.86 0.00 0.00 0.00 0.00 23.12 22.18 2flf s ALA 122 CO 0.11 -1.68 2.10 -1.35 0.00 0.00 0.00 175.76 174.94 2flf h PRO 123 N 8.38 0.00 0.00 0.00 0.11 -1.96 -3.51 132.00 135.02 2flf h PRO 123 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2flf h PRO 123 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2flf h PRO 123 CO 0.76 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.18 2flf n LYS 124 N -2.84 0.00 0.00 1.05 5.02 -1.26 -5.09 118.16 115.04 2flf n LYS 124 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2flf n LYS 124 Cb 0.12 -2.45 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 2flf n LYS 124 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2flf n ALA 128 N 0.63 0.00 -3.01 7.82 0.00 -1.26 -5.32 120.51 119.37 2flf n ALA 128 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.32 2flf n ALA 128 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2flf n ALA 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2flf s THR 129 N 0.70 0.00 0.27 0.00 2.01 -1.26 -5.03 115.64 112.33 2flf s THR 129 Ca 0.00 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.96 2flf s THR 129 Cb 0.00 -0.19 0.28 0.00 0.01 0.00 0.00 72.50 72.60 2flf s THR 129 CO 0.00 -0.02 1.67 -0.33 -0.69 0.00 0.00 174.62 175.25 2flf h GLU 130 N 5.87 0.26 -0.21 4.92 4.39 -1.99 0.27 114.58 128.10 2flf h GLU 130 Ca -0.25 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.49 2flf h GLU 130 Cb 1.20 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.72 2flf h GLU 130 CO 0.43 0.17 -0.27 0.93 -1.16 0.00 0.00 179.01 179.11 2flf h GLU 131 N 0.27 -0.29 -0.75 2.33 4.39 -2.01 -1.17 114.58 117.35 2flf h GLU 131 Ca 0.51 0.02 0.05 0.00 0.34 0.00 0.00 59.36 60.28 2flf h GLU 131 Cb 0.97 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.63 2flf h GLU 131 CO -0.58 -0.20 0.46 0.00 -1.16 0.00 0.00 179.01 177.53 2flf h ALA 132 N 0.65 1.01 -0.81 3.43 0.00 -1.41 -2.07 119.26 120.07 2flf h ALA 132 Ca 0.12 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.20 2flf h ALA 132 Cb 0.49 -0.21 -0.11 0.00 0.00 0.00 0.00 17.79 17.97 2flf h ALA 132 CO -0.38 0.21 0.31 0.00 0.00 0.00 0.00 179.25 179.39 2flf h ALA 133 N 1.35 1.19 -0.23 0.00 0.00 -0.06 0.58 119.26 122.09 2flf h ALA 133 Ca 0.32 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 55.27 2flf h ALA 133 Cb 0.11 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2flf h ALA 133 CO -0.15 -0.28 -0.32 -0.07 0.00 0.00 0.00 179.25 178.43 2flf h LEU 134 N 0.40 0.48 -0.11 0.00 3.38 -0.65 -0.17 115.31 118.63 2flf h LEU 134 Ca 0.47 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 2flf h LEU 134 Cb 0.81 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2flf h LEU 134 CO -0.48 0.78 -0.32 -1.28 0.09 0.00 0.00 178.44 177.23 2flf h SER 135 N 0.40 0.47 -0.32 -0.43 0.87 -0.84 -0.64 113.55 113.06 2flf h SER 135 Ca 0.05 -0.60 0.02 0.00 -1.23 0.00 0.00 61.79 60.03 2flf h SER 135 Cb 0.77 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.56 2flf h SER 135 CO 0.06 0.99 0.15 0.58 -0.53 0.00 0.00 176.83 178.08 2flf h VAL 136 N -0.03 0.98 0.47 2.23 2.07 -0.97 -0.38 116.25 120.62 2flf h VAL 136 Ca -0.01 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2flf h VAL 136 Cb 0.94 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2flf h VAL 136 CO 0.07 0.06 -0.49 0.00 0.02 0.00 0.00 177.57 177.23 2flf h ALA 137 N 1.17 -1.08 -0.31 1.67 0.00 -0.96 -1.70 119.26 118.06 2flf h ALA 137 Ca 0.13 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.93 2flf h ALA 137 Cb 0.06 0.71 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2flf h ALA 137 CO -0.10 -1.15 -0.08 1.49 0.00 0.00 0.00 179.25 179.41 2flf h GLU 138 N -0.96 -0.01 -0.81 0.00 4.57 -0.95 -1.48 114.58 114.94 2flf h GLU 138 Ca -0.05 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.29 2flf h GLU 138 Cb 0.84 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.38 2flf h GLU 138 CO -0.07 -0.00 0.54 0.00 -1.18 0.00 0.00 179.01 178.29 2flf h ALA 139 N 1.30 2.11 -0.07 2.92 0.00 -0.83 -1.28 119.26 123.41 2flf h ALA 139 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2flf h ALA 139 Cb 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2flf h ALA 139 CO -0.32 -0.34 0.00 1.28 0.00 0.00 0.00 179.25 179.87 2flf n LEU 140 N -4.50 0.81 -0.03 0.00 4.77 -0.57 -3.00 117.00 114.48 2flf n LEU 140 Ca 0.16 -0.33 -0.14 0.00 -0.03 0.00 0.00 56.01 55.68 2flf n LEU 140 Cb 0.57 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 2flf n LEU 140 CO 0.32 0.16 0.54 -0.09 -1.33 0.00 0.00 177.39 176.99 2flf h ARG 141 N 1.11 0.12 0.00 3.23 2.43 -1.07 -3.35 114.38 116.86 2flf h ARG 141 Ca 0.00 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2flf h ARG 141 Cb 0.24 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2flf h ARG 141 CO 0.00 0.71 -0.42 0.39 -1.51 0.00 0.00 179.97 179.14 2flf n GLU 142 N -4.67 1.53 -3.75 0.20 1.02 -1.25 -4.97 120.64 108.74 2flf n GLU 142 Ca -0.08 -3.18 -0.13 0.00 -0.02 0.00 0.00 57.16 53.74 2flf n GLU 142 Cb 0.37 -1.59 -0.09 0.00 -0.02 0.00 0.00 31.44 30.11 2flf n GLU 142 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2flf s HIS 143 N -3.16 -0.21 -1.93 -0.32 3.76 -1.16 -5.06 115.29 107.21 2flf s HIS 143 Ca 0.37 0.33 0.24 0.00 -0.15 0.00 0.00 55.06 55.85 2flf s HIS 143 Cb 0.35 0.11 0.32 0.00 1.11 0.00 0.00 32.58 34.47 2flf s HIS 143 CO -0.05 -0.39 1.29 0.54 -0.85 0.00 0.00 174.74 175.28 2flf n ARG 144 N 1.35 1.07 -3.52 1.40 1.74 -1.26 -4.38 116.66 113.06 2flf n ARG 144 Ca -0.21 -0.80 -0.10 0.00 -0.77 0.00 0.00 57.85 55.97 2flf n ARG 144 Cb 0.56 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 2flf n ARG 144 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2flf s ALA 145 N -2.48 -1.83 -0.03 7.54 0.00 -1.25 -0.65 121.76 123.05 2flf s ALA 145 Ca 0.21 1.18 -0.27 0.00 0.00 0.00 0.00 51.96 53.08 2flf s ALA 145 Cb 0.19 0.08 0.06 0.00 0.00 0.00 0.00 23.12 23.45 2flf s ALA 145 CO 0.55 -0.55 0.59 0.00 0.00 0.00 0.00 175.76 176.34 2flf s LEU 147 N -1.35 4.16 -0.39 0.00 1.43 0.32 -0.56 118.68 122.29 2flf s LEU 147 Ca -0.11 0.33 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 2flf s LEU 147 Cb -0.01 -2.02 0.08 0.00 0.03 0.00 0.00 46.19 44.27 2flf s LEU 147 CO 0.07 0.34 0.20 -0.22 0.23 0.00 0.00 176.35 176.97 2flf s LEU 148 N -0.64 4.96 -0.13 1.79 0.20 0.07 -0.11 118.68 124.82 2flf s LEU 148 Ca 0.12 -1.62 -0.12 0.00 0.69 0.00 0.00 54.13 53.21 2flf s LEU 148 Cb -0.12 -1.89 -0.05 0.00 -0.43 0.00 0.00 46.19 43.70 2flf s LEU 148 CO 0.02 -0.49 0.43 -1.14 -0.29 0.00 0.00 176.35 174.88 2flf n ARG 149 N 4.77 0.00 -0.89 1.98 3.00 -0.56 0.13 116.66 125.09 2flf n ARG 149 Ca -0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 57.85 57.72 2flf n ARG 149 Cb 0.43 -0.38 -0.02 0.00 0.00 0.00 0.00 32.46 32.49 2flf n ARG 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2flf n GLY 150 N 1.17 0.42 0.08 5.14 0.00 -1.26 -4.72 105.19 106.02 2flf n GLY 150 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 2flf n GLY 150 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2flf n HIS 151 N -1.48 0.00 -3.40 1.61 8.25 0.34 -5.12 115.22 115.42 2flf n HIS 151 Ca -0.04 -0.80 0.00 0.00 -0.26 0.00 0.00 57.72 56.62 2flf n HIS 151 Cb 0.36 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.35 2flf n HIS 151 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2flf n GLY 152 N -1.09 -2.05 3.51 -1.41 0.00 -1.17 -4.75 105.19 98.22 2flf n GLY 152 Ca 0.11 -1.52 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 2flf n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2flf s ALA 153 N -1.14 2.68 -0.02 4.61 0.00 0.10 -0.75 121.76 127.25 2flf s ALA 153 Ca 0.00 -2.09 0.03 0.00 0.00 0.00 0.00 51.96 49.90 2flf s ALA 153 Cb 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 23.12 23.37 2flf s ALA 153 CO 0.00 -0.12 -0.10 -0.06 0.00 0.00 0.00 175.76 175.49 2flf s PHE 154 N -2.93 0.95 -0.02 0.00 0.40 0.28 -1.07 117.98 115.58 2flf s PHE 154 Ca 0.33 -0.21 0.03 0.00 -0.60 0.00 0.00 56.93 56.48 2flf s PHE 154 Cb 0.06 -0.65 0.00 0.00 0.51 0.00 0.00 43.02 42.95 2flf s PHE 154 CO 0.15 -0.06 -0.09 0.00 0.70 0.00 0.00 175.22 175.92 2flf s ALA 155 N -0.02 0.87 0.16 5.36 0.00 -0.60 -0.35 121.76 127.18 2flf s ALA 155 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.66 2flf s ALA 155 Cb -0.06 -0.31 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2flf s ALA 155 CO 0.00 0.15 0.20 0.08 0.00 0.00 0.00 175.76 176.19 2flf s VAL 156 N 0.15 4.85 -0.11 0.00 1.01 0.18 -1.75 120.40 124.72 2flf s VAL 156 Ca -0.02 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2flf s VAL 156 Cb -0.08 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.82 2flf s VAL 156 CO 0.00 -0.11 -0.16 -0.83 0.00 0.00 0.00 175.10 174.01 2flf s GLY 157 N -3.18 1.07 0.00 4.51 0.00 -0.58 -4.33 107.32 104.81 2flf s GLY 157 Ca 0.32 -0.77 0.20 0.00 0.00 0.00 0.00 44.72 44.48 2flf s GLY 157 CO 0.26 0.22 1.00 1.04 0.00 0.00 0.00 173.10 175.61 2flf n LEU 158 N 4.21 1.82 -4.71 0.66 4.77 -1.26 0.89 117.00 123.39 2flf n LEU 158 Ca -0.19 -0.74 -0.35 0.00 -0.03 0.00 0.00 56.01 54.70 2flf n LEU 158 Cb 0.51 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.70 2flf n LEU 158 CO 0.24 0.35 0.84 -0.54 -1.33 0.00 0.00 177.39 176.95 2flf s LYS 159 N -2.33 2.05 -0.00 3.23 1.02 -1.26 -4.71 119.74 117.73 2flf s LYS 159 Ca 0.16 1.92 -0.24 0.00 0.02 0.00 0.00 55.97 57.83 2flf s LYS 159 Cb 0.16 -1.80 -0.18 0.00 -0.52 0.00 0.00 37.83 35.49 2flf s LYS 159 CO 0.54 -1.95 1.27 1.49 -0.92 0.00 0.00 175.35 175.79 2flf h GLU 160 N -0.22 0.16 -6.23 1.68 4.81 -1.96 -3.42 114.58 109.40 2flf h GLU 160 Ca -0.49 -0.09 -0.57 0.00 -0.13 0.00 0.00 59.36 58.09 2flf h GLU 160 Cb 1.32 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.69 2flf h GLU 160 CO 0.49 0.63 1.25 0.00 -0.73 0.00 0.00 179.01 180.65 2flf s ALA 161 N -4.17 3.17 0.22 2.92 0.00 -1.26 -4.88 121.76 117.76 2flf s ALA 161 Ca -0.15 0.69 -0.20 0.00 0.00 0.00 0.00 51.96 52.31 2flf s ALA 161 Cb 0.03 -3.92 0.19 0.00 0.00 0.00 0.00 23.12 19.42 2flf s ALA 161 CO 0.71 -2.14 1.55 -1.00 0.00 0.00 0.00 175.76 174.89 2flf h PRO 162 N 11.92 -0.01 -0.18 0.00 0.13 -1.87 0.05 132.00 142.04 2flf h PRO 162 Ca -0.39 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.77 2flf h PRO 162 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2flf h PRO 162 CO 0.98 -0.01 0.01 0.93 -0.23 0.00 0.00 178.00 179.68 2flf h GLU 163 N -0.01 0.07 0.00 0.86 3.07 -1.90 -1.21 114.58 115.45 2flf h GLU 163 Ca 0.32 -0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 59.15 2flf h GLU 163 Cb 0.57 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 2flf h GLU 163 CO -0.96 0.04 -0.12 0.93 -1.40 0.00 0.00 179.01 177.50 2flf h GLU 164 N 0.07 0.00 -0.18 2.33 5.08 -1.60 -0.20 114.58 120.08 2flf h GLU 164 Ca 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2flf h GLU 164 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2flf h GLU 164 CO -0.13 0.12 0.01 0.00 -1.00 0.00 0.00 179.01 178.01 2flf h ALA 165 N 1.88 0.24 -0.36 3.43 0.00 -0.20 0.13 119.26 124.38 2flf h ALA 165 Ca -0.00 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.77 2flf h ALA 165 Cb 0.23 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 2flf h ALA 165 CO 0.02 -0.06 0.05 1.25 0.00 0.00 0.00 179.25 180.51 2flf h LEU 166 N 0.08 -0.03 -1.27 0.00 5.85 0.07 0.40 115.31 120.39 2flf h LEU 166 Ca 0.05 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2flf h LEU 166 Cb 0.36 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2flf h LEU 166 CO 0.01 0.02 0.08 -0.07 -0.34 0.00 0.00 178.44 178.14 2flf h LEU 167 N 0.16 0.53 -0.43 2.25 3.38 -1.06 -0.41 115.31 119.74 2flf h LEU 167 Ca 0.17 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.07 2flf h LEU 167 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2flf h LEU 167 CO -0.24 0.55 0.28 -0.08 0.09 0.00 0.00 178.44 179.03 2flf h GLU 168 N 0.56 0.55 0.19 1.13 4.81 0.67 0.10 114.58 122.60 2flf h GLU 168 Ca 0.13 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2flf h GLU 168 Cb 0.24 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2flf h GLU 168 CO -0.00 0.37 -0.09 0.00 -0.73 0.00 0.00 179.01 178.56 2flf h ALA 169 N 1.16 -0.77 -0.97 2.92 0.00 -0.29 -0.61 119.26 120.70 2flf h ALA 169 Ca 0.16 -0.05 0.31 0.00 0.00 0.00 0.00 54.91 55.33 2flf h ALA 169 Cb -0.06 0.10 -0.17 0.00 0.00 0.00 0.00 17.79 17.66 2flf h ALA 169 CO -0.04 -0.75 0.30 -0.92 0.00 0.00 0.00 179.25 177.84 2flf h TYR 170 N -0.33 0.44 0.35 0.00 5.03 -1.15 0.75 116.97 122.06 2flf h TYR 170 Ca -0.03 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 2flf h TYR 170 Cb 0.19 -0.03 -0.03 0.00 1.55 0.00 0.00 36.73 38.41 2flf h TYR 170 CO 0.12 -0.36 -0.39 0.78 -1.32 0.00 0.00 178.16 176.99 2flf h GLY 171 N 0.10 -0.90 0.98 1.82 0.00 -0.73 -1.82 103.07 102.52 2flf h GLY 171 Ca 0.68 0.45 0.11 0.00 0.00 0.00 0.00 47.33 48.57 2flf h GLY 171 CO -0.77 -0.31 0.41 1.41 0.00 0.00 0.00 176.54 177.28 2flf h LEU 172 N -0.77 0.30 -0.15 3.11 3.38 0.21 0.37 115.31 121.75 2flf h LEU 172 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2flf h LEU 172 Cb 0.70 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2flf h LEU 172 CO -0.09 0.18 0.09 -0.03 0.09 0.00 0.00 178.44 178.68 2flf h MET 173 N 0.33 0.20 -0.89 1.13 4.05 -0.20 -0.80 114.93 118.76 2flf h MET 173 Ca 0.28 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.74 2flf h MET 173 Cb 0.66 -0.04 -0.06 0.00 -0.80 0.00 0.00 31.60 31.36 2flf h MET 173 CO -0.07 0.18 0.56 0.00 0.23 0.00 0.00 176.91 177.81 2flf h THR 174 N 0.17 1.08 -0.69 -0.77 1.03 -0.18 -1.52 112.91 112.03 2flf h THR 174 Ca 0.05 -0.36 -0.00 0.00 -0.01 0.00 0.00 66.41 66.09 2flf h THR 174 Cb 0.03 -0.06 -0.03 0.00 -1.07 0.00 0.00 68.15 67.02 2flf h THR 174 CO -0.01 0.19 0.43 0.74 -0.01 0.00 0.00 175.52 176.86 2flf h THR 175 N 1.05 1.19 0.33 0.00 2.02 -0.51 -2.29 112.91 114.70 2flf h THR 175 Ca 0.38 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2flf h THR 175 Cb 0.12 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 2flf h THR 175 CO -0.16 0.20 -0.49 0.25 0.37 0.00 0.00 175.52 175.70 2flf h LEU 176 N 0.94 -1.38 -1.08 2.58 5.85 -0.15 0.74 115.31 122.82 2flf h LEU 176 Ca 0.25 0.13 0.13 0.00 0.84 0.00 0.00 57.88 59.23 2flf h LEU 176 Cb -0.05 0.48 -0.08 0.00 0.37 0.00 0.00 40.66 41.38 2flf h LEU 176 CO -0.05 -0.60 0.62 -0.08 -0.34 0.00 0.00 178.44 177.99 2flf h GLU 177 N -0.86 0.89 -0.43 1.25 4.57 -1.35 0.29 114.58 118.94 2flf h GLU 177 Ca -0.03 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2flf h GLU 177 Cb 0.80 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.17 2flf h GLU 177 CO -0.15 0.59 0.18 1.49 -1.18 0.00 0.00 179.01 179.93 2flf h GLU 178 N 0.92 0.65 -0.36 1.92 4.81 -0.89 -0.64 114.58 120.98 2flf h GLU 178 Ca 0.49 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.51 2flf h GLU 178 Cb 0.55 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2flf h GLU 178 CO -0.25 0.60 -0.14 0.77 -0.73 0.00 0.00 179.01 179.25 2flf h SER 179 N 0.56 0.63 -0.11 1.04 0.02 0.16 -1.27 113.55 114.58 2flf h SER 179 Ca 0.15 -0.19 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 2flf h SER 179 Cb 0.19 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2flf h SER 179 CO -0.01 0.79 -0.38 0.00 -1.14 0.00 0.00 176.83 176.09 2flf h ALA 180 N 1.27 0.83 -0.25 3.77 0.00 -0.27 -0.54 119.26 124.08 2flf h ALA 180 Ca 0.10 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 2flf h ALA 180 Cb 0.58 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2flf h ALA 180 CO 0.04 0.64 -0.02 1.96 0.00 0.00 0.00 179.25 181.87 2flf h GLN 181 N 0.52 0.45 -0.90 0.00 4.20 -0.80 0.28 115.11 118.86 2flf h GLN 181 Ca 0.05 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.61 2flf h GLN 181 Cb 0.89 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 2flf h GLN 181 CO 0.08 0.65 0.58 0.82 -0.67 0.00 0.00 178.83 180.29 2flf h ILE 182 N 0.22 1.24 -0.35 2.54 2.04 -1.11 0.15 117.51 122.24 2flf h ILE 182 Ca 0.07 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 2flf h ILE 182 Cb 0.46 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 2flf h ILE 182 CO 0.02 0.23 0.11 -0.07 0.00 0.00 0.00 178.15 178.44 2flf h LEU 183 N 1.23 0.51 0.06 1.44 3.38 -0.76 -0.88 115.31 120.29 2flf h LEU 183 Ca 0.33 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2flf h LEU 183 Cb -0.12 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.50 2flf h LEU 183 CO -0.07 0.58 -0.03 0.25 0.09 0.00 0.00 178.44 179.26 2flf h LEU 184 N 0.42 -0.07 0.57 1.67 5.85 -0.41 -2.50 115.31 120.83 2flf h LEU 184 Ca 0.11 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2flf h LEU 184 Cb 0.25 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2flf h LEU 184 CO -0.00 0.03 -0.40 1.88 -0.34 0.00 0.00 178.44 179.60 2flf h TYR 185 N -0.16 -1.08 -1.33 1.25 0.99 -0.94 -1.33 116.97 114.37 2flf h TYR 185 Ca -0.01 -0.00 0.38 0.00 2.00 0.00 0.00 58.73 61.10 2flf h TYR 185 Cb 0.13 0.40 -0.05 0.00 1.00 0.00 0.00 36.73 38.21 2flf h TYR 185 CO -0.05 -0.59 1.09 1.25 -0.00 0.00 0.00 178.16 179.85 2flf h HIS 186 N -0.94 0.00 0.03 4.88 2.76 -1.12 -1.26 115.15 119.51 2flf h HIS 186 Ca -0.07 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.83 2flf h HIS 186 Cb 0.78 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.71 2flf h HIS 186 CO -0.14 0.00 -1.51 -2.13 -1.30 0.00 0.00 177.93 172.84 2flf n ARG 187 N -3.82 0.62 -0.16 5.26 0.63 -0.87 -2.66 116.66 115.67 2flf n ARG 187 Ca 0.29 0.48 0.21 0.00 -0.92 0.00 0.00 57.85 57.91 2flf n ARG 187 Cb 1.50 -1.73 0.60 0.00 0.45 0.00 0.00 32.46 33.29 2flf n ARG 187 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2flf h LEU 188 N -0.71 0.22 0.12 6.15 3.38 -0.13 0.29 115.31 124.64 2flf h LEU 188 Ca -0.38 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 2flf h LEU 188 Cb 1.52 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2flf h LEU 188 CO -0.14 0.10 -0.06 -0.25 0.09 0.00 0.00 178.44 178.18 2flf h TRP 189 N 0.22 -0.16 -0.29 1.13 2.91 -1.56 -3.20 115.95 115.01 2flf h TRP 189 Ca 0.39 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.47 2flf h TRP 189 Cb 1.21 0.05 -0.05 0.00 -0.51 0.00 0.00 29.16 29.86 2flf h TRP 189 CO -0.00 0.18 -0.04 0.37 -1.03 0.00 0.00 178.44 177.91 2flf h GLN 190 N -0.98 0.04 0.00 2.65 4.15 -1.22 -3.38 115.11 116.35 2flf h GLN 190 Ca -0.02 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.40 2flf h GLN 190 Cb 0.40 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.08 2flf h GLN 190 CO 0.03 0.02 0.00 0.41 -1.93 0.00 0.00 178.83 177.36 2flf n GLY 191 N -1.24 -3.15 2.91 2.39 0.00 1.00 -4.76 105.19 102.34 2flf n GLY 191 Ca -0.00 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 2flf n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2flf n ALA 192 N -3.00 -2.81 0.00 4.61 0.00 -1.21 -4.82 120.51 113.29 2flf n ALA 192 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2flf n ALA 192 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2flf n ALA 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2flf n GLY 193 N 2.06 0.61 0.00 0.00 0.00 -1.26 -4.51 105.19 102.10 2flf n GLY 193 Ca 0.10 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.51 2flf n GLY 193 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90