#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pyf s LYS 3 N 0.00 0.09 0.03 1.64 -0.14 -1.26 -3.90 119.74 116.20 1pyf s LYS 3 Ca 0.00 0.39 0.04 0.00 -1.36 0.00 0.00 55.97 55.04 1pyf s LYS 3 Cb 0.00 -0.18 -0.04 0.00 -1.68 0.00 0.00 37.83 35.93 1pyf s LYS 3 CO 0.00 -0.17 -0.07 0.00 -0.76 0.00 0.00 175.35 174.35 1pyf s ALA 4 N 1.24 3.03 -0.19 5.17 0.00 0.14 -4.84 121.76 126.31 1pyf s ALA 4 Ca -0.09 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 50.63 1pyf s ALA 4 Cb -0.12 -1.09 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 1pyf s ALA 4 CO -0.06 0.63 0.50 0.21 0.00 0.00 0.00 175.76 177.04 1pyf s LYS 5 N -1.63 4.20 -1.20 0.00 2.20 -1.26 -0.32 119.74 121.73 1pyf s LYS 5 Ca 0.19 0.39 -0.20 0.00 -0.36 0.00 0.00 55.97 55.99 1pyf s LYS 5 Cb -0.11 -3.55 0.06 0.00 -1.51 0.00 0.00 37.83 32.71 1pyf s LYS 5 CO 0.10 -0.12 1.66 -0.51 -0.36 0.00 0.00 175.35 176.12 1pyf s LEU 6 N 1.53 3.69 0.00 5.43 1.43 -0.35 -4.92 118.68 125.50 1pyf s LEU 6 Ca 0.24 -2.06 0.00 0.00 -1.03 0.00 0.00 54.13 51.28 1pyf s LEU 6 Cb -0.15 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.49 1pyf s LEU 6 CO 0.09 -1.38 0.00 0.61 0.23 0.00 0.00 176.35 175.90 1pyf n GLY 7 N 5.93 2.85 0.28 -3.19 0.00 -1.26 -2.25 105.19 107.56 1pyf n GLY 7 Ca 0.43 -0.38 0.16 0.00 0.00 0.00 0.00 46.02 46.24 1pyf n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pyf h LYS 8 N 0.00 0.00 -7.35 1.61 1.57 -1.17 -3.45 116.57 107.78 1pyf h LYS 8 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 1pyf h LYS 8 Cb 0.00 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.45 1pyf h LYS 8 CO 0.00 0.06 0.25 -1.54 -0.57 0.00 0.00 179.45 177.66 1pyf s SER 9 N -5.89 3.49 -0.28 0.86 1.04 -0.95 -4.94 113.70 107.03 1pyf s SER 9 Ca -0.03 1.42 0.08 0.00 0.48 0.00 0.00 55.95 57.91 1pyf s SER 9 Cb 0.13 -2.11 0.66 0.00 0.10 0.00 0.00 66.02 64.80 1pyf s SER 9 CO 0.54 -2.62 1.68 0.47 0.98 0.00 0.00 173.24 174.29 1pyf n ASP 10 N -3.86 4.51 -4.69 7.02 8.00 -1.26 -4.49 116.55 121.78 1pyf n ASP 10 Ca 0.07 -3.06 -0.42 0.00 0.71 0.00 0.00 54.79 52.10 1pyf n ASP 10 Cb 0.56 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 1pyf n ASP 10 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pyf s LEU 11 N -2.59 4.25 -0.23 0.64 1.43 -1.26 -4.97 118.68 115.94 1pyf s LEU 11 Ca 0.48 1.36 -0.04 0.00 -1.03 0.00 0.00 54.13 54.90 1pyf s LEU 11 Cb 0.39 -3.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 1pyf s LEU 11 CO 0.12 -0.35 -0.02 -1.10 0.23 0.00 0.00 176.35 175.22 1pyf s GLN 12 N 1.74 3.41 0.03 1.70 -1.52 -1.26 -1.21 119.66 122.56 1pyf s GLN 12 Ca 0.43 -0.61 -0.01 0.00 -1.95 0.00 0.00 55.36 53.22 1pyf s GLN 12 Cb -0.18 -3.06 -0.03 0.00 -0.22 0.00 0.00 33.01 29.52 1pyf s GLN 12 CO 0.17 -0.20 -0.01 0.14 -0.25 0.00 0.00 175.29 175.14 1pyf s VAL 13 N 1.50 0.16 0.41 1.09 -7.23 0.57 -4.87 120.40 112.02 1pyf s VAL 13 Ca 0.06 -1.30 -0.26 0.00 -1.81 0.00 0.00 61.98 58.66 1pyf s VAL 13 Cb -0.14 -0.87 -0.09 0.00 0.56 0.00 0.00 36.38 35.84 1pyf s VAL 13 CO -0.02 -0.72 1.36 0.12 -0.31 0.00 0.00 175.10 175.53 1pyf s PHE 14 N -2.63 2.69 -1.50 2.82 5.36 -1.25 0.28 117.98 123.75 1pyf s PHE 14 Ca -0.05 1.34 0.11 0.00 -0.96 0.00 0.00 56.93 57.36 1pyf s PHE 14 Cb -0.01 -3.79 0.57 0.00 -0.34 0.00 0.00 43.02 39.44 1pyf s PHE 14 CO -0.05 -2.45 1.23 -0.35 -1.46 0.00 0.00 175.22 172.13 1pyf n PRO 15 N 0.10 0.18 -4.07 10.12 -0.04 -1.26 -4.44 135.00 135.59 1pyf n PRO 15 Ca 0.04 0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 63.32 1pyf n PRO 15 Cb 0.42 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.23 1pyf n PRO 15 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1pyf s ILE 16 N -2.50 2.36 0.58 0.52 -1.09 -1.26 -1.71 121.20 118.09 1pyf s ILE 16 Ca 0.11 -0.85 0.07 0.00 -2.23 0.00 0.00 60.65 57.75 1pyf s ILE 16 Cb 0.07 -2.02 0.07 0.00 -1.58 0.00 0.00 42.46 39.00 1pyf s ILE 16 CO 0.16 0.50 0.60 -0.83 -1.23 0.00 0.00 174.94 174.14 1pyf s GLY 17 N 1.33 2.09 -0.13 6.18 0.00 0.78 -4.48 107.32 113.09 1pyf s GLY 17 Ca 0.05 -1.61 0.02 0.00 0.00 0.00 0.00 44.72 43.17 1pyf s GLY 17 CO -0.11 -1.86 -0.19 -2.27 0.00 0.00 0.00 173.10 168.68 1pyf s LEU 18 N -4.49 2.32 -0.04 0.66 2.96 -1.26 -4.03 118.68 114.79 1pyf s LEU 18 Ca 0.46 -0.51 -0.21 0.00 -0.22 0.00 0.00 54.13 53.65 1pyf s LEU 18 Cb -0.04 -1.50 -0.05 0.00 0.50 0.00 0.00 46.19 45.11 1pyf s LEU 18 CO 0.29 0.12 0.61 -0.83 -1.32 0.00 0.00 176.35 175.21 1pyf s GLY 19 N 0.61 2.58 -0.25 7.98 0.00 -1.10 -1.55 107.32 115.59 1pyf s GLY 19 Ca -0.10 0.03 0.12 0.00 0.00 0.00 0.00 44.72 44.77 1pyf s GLY 19 CO 0.03 0.87 1.51 -1.30 0.00 0.00 0.00 173.10 174.20 1pyf n THR 20 N 3.13 2.51 0.47 0.90 -2.24 -0.38 -4.34 114.28 114.34 1pyf n THR 20 Ca -0.05 -2.21 0.08 0.00 -2.27 0.00 0.00 64.05 59.60 1pyf n THR 20 Cb 0.51 -0.31 0.35 0.00 -2.10 0.00 0.00 70.33 68.79 1pyf n THR 20 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1pyf n ASN 21 N -0.77 0.15 -1.48 3.42 0.23 -1.26 -1.32 115.26 114.24 1pyf n ASN 21 Ca 0.30 0.54 0.11 0.00 -0.53 0.00 0.00 54.58 55.00 1pyf n ASN 21 Cb 1.05 -0.57 0.34 0.00 -2.08 0.00 0.00 39.78 38.52 1pyf n ASN 21 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pyf n ALA 22 N -1.56 2.69 -3.49 -2.53 0.00 -1.26 -3.50 120.51 110.85 1pyf n ALA 22 Ca 0.03 -1.44 -0.42 0.00 0.00 0.00 0.00 53.44 51.61 1pyf n ALA 22 Cb 0.18 -0.97 -0.07 0.00 0.00 0.00 0.00 19.45 18.59 1pyf n ALA 22 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pyf s VAL 23 N -1.36 4.51 -0.13 0.00 1.01 -0.43 -4.52 120.40 119.47 1pyf s VAL 23 Ca 0.51 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.61 1pyf s VAL 23 Cb 0.29 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.74 1pyf s VAL 23 CO 0.30 -0.83 0.00 0.61 0.00 0.00 0.00 175.10 175.18 1pyf n GLY 24 N 4.79 0.38 2.61 4.51 0.00 -1.26 -3.54 105.19 112.68 1pyf n GLY 24 Ca -0.06 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 1pyf n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pyf n GLY 25 N -1.28 4.62 0.30 -0.02 0.00 -1.23 -3.92 105.19 103.67 1pyf n GLY 25 Ca -0.01 -1.79 0.20 0.00 0.00 0.00 0.00 46.02 44.42 1pyf n GLY 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1pyf h HIS 26 N 5.42 0.00 -0.00 1.61 3.86 -1.88 -0.37 115.15 123.80 1pyf h HIS 26 Ca 0.63 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.84 1pyf h HIS 26 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 1pyf h HIS 26 CO 1.54 0.00 -0.15 0.27 0.86 0.00 0.00 177.93 180.44 1pyf n ASN 27 N -3.04 0.17 -0.05 2.45 6.94 -1.26 -3.91 115.26 116.55 1pyf n ASN 27 Ca -0.01 0.22 -0.04 0.00 -0.02 0.00 0.00 54.58 54.73 1pyf n ASN 27 Cb 0.18 -0.25 -0.09 0.00 -2.36 0.00 0.00 39.78 37.26 1pyf n ASN 27 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1pyf n LEU 28 N -1.48 0.00 -3.94 -4.53 4.77 -0.22 -5.02 117.00 106.59 1pyf n LEU 28 Ca 0.07 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 1pyf n LEU 28 Cb 0.33 0.24 -0.14 0.00 -2.33 0.00 0.00 43.42 41.53 1pyf n LEU 28 CO 0.29 0.24 -0.39 -0.31 -1.33 0.00 0.00 177.39 175.90 1pyf s TYR 29 N -2.33 0.31 0.40 -1.77 2.02 -0.77 -5.14 117.35 110.08 1pyf s TYR 29 Ca -0.05 -0.12 -0.04 0.00 -0.37 0.00 0.00 57.07 56.48 1pyf s TYR 29 Cb 0.04 -0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.36 1pyf s TYR 29 CO 0.46 -0.02 0.68 -1.25 -1.57 0.00 0.00 175.55 173.85 1pyf s PRO 30 N -0.29 3.57 -1.55 -1.71 0.04 -1.26 -4.39 135.00 129.40 1pyf s PRO 30 Ca -0.01 0.06 -0.04 0.00 0.04 0.00 0.00 61.00 61.05 1pyf s PRO 30 Cb -0.02 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 32.03 1pyf s PRO 30 CO -0.00 -0.02 0.44 0.09 0.04 0.00 0.00 177.00 177.54 1pyf n ASN 31 N -1.80 -5.72 -4.79 6.66 3.02 -1.26 -4.99 115.26 106.38 1pyf n ASN 31 Ca -0.01 -0.22 -0.36 0.00 -0.03 0.00 0.00 54.58 53.97 1pyf n ASN 31 Cb 0.55 -4.67 -0.06 0.00 -0.61 0.00 0.00 39.78 34.99 1pyf n ASN 31 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pyf s LEU 32 N -6.48 4.17 -0.26 3.41 1.43 -1.26 -5.04 118.68 114.66 1pyf s LEU 32 Ca 0.23 1.86 -0.08 0.00 -1.03 0.00 0.00 54.13 55.11 1pyf s LEU 32 Cb -0.11 -4.21 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 1pyf s LEU 32 CO 0.29 -0.28 0.11 0.21 0.23 0.00 0.00 176.35 176.90 1pyf s ASN 33 N -1.75 5.41 0.30 2.29 3.84 -1.26 -5.00 114.94 118.77 1pyf s ASN 33 Ca 0.56 -0.14 0.07 0.00 0.21 0.00 0.00 52.86 53.56 1pyf s ASN 33 Cb -0.17 -1.98 0.47 0.00 -0.55 0.00 0.00 41.25 39.01 1pyf s ASN 33 CO 0.22 -0.03 1.71 -0.33 -2.79 0.00 0.00 177.10 175.88 1pyf h GLU 34 N 8.21 0.24 -0.11 0.43 5.08 -1.96 -2.15 114.58 124.33 1pyf h GLU 34 Ca -0.37 -0.11 -0.13 0.00 -1.00 0.00 0.00 59.36 57.75 1pyf h GLU 34 Cb 1.18 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1pyf h GLU 34 CO 0.57 0.61 -0.50 0.93 -1.00 0.00 0.00 179.01 179.63 1pyf h GLU 35 N 0.21 0.30 -0.65 2.33 4.39 -1.99 -0.75 114.58 118.41 1pyf h GLU 35 Ca 0.02 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.50 1pyf h GLU 35 Cb 0.79 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.43 1pyf h GLU 35 CO 0.06 0.73 0.20 1.15 -1.16 0.00 0.00 179.01 179.99 1pyf h THR 36 N 0.24 1.24 -0.40 1.13 2.02 -1.88 -0.19 112.91 115.07 1pyf h THR 36 Ca 0.01 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.29 1pyf h THR 36 Cb 0.96 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1pyf h THR 36 CO 0.08 0.33 0.04 1.23 0.37 0.00 0.00 175.52 177.56 1pyf h GLY 37 N 1.05 0.73 1.21 2.16 0.00 -1.00 -2.10 103.07 105.13 1pyf h GLY 37 Ca 0.21 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.97 1pyf h GLY 37 CO -0.01 0.47 0.13 0.50 0.00 0.00 0.00 176.54 177.64 1pyf h LYS 38 N 0.52 0.97 -0.33 4.80 1.57 -0.79 -2.32 116.57 120.99 1pyf h LYS 38 Ca 0.12 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1pyf h LYS 38 Cb 0.41 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1pyf h LYS 38 CO 0.01 0.88 -0.15 1.49 -0.57 0.00 0.00 179.45 181.11 1pyf h GLU 39 N 0.93 0.59 0.02 3.15 4.57 -0.89 -0.52 114.58 122.43 1pyf h GLU 39 Ca 0.20 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1pyf h GLU 39 Cb 0.35 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 1pyf h GLU 39 CO 0.00 0.71 -0.05 1.25 -1.18 0.00 0.00 179.01 179.75 1pyf h LEU 40 N 0.53 -0.14 -0.15 1.64 5.85 -1.07 0.29 115.31 122.27 1pyf h LEU 40 Ca 0.09 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1pyf h LEU 40 Cb 0.56 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1pyf h LEU 40 CO 0.04 -0.08 0.07 0.58 -0.34 0.00 0.00 178.44 178.70 1pyf h VAL 41 N -0.10 1.14 -0.50 1.05 2.07 -1.10 -0.45 116.25 118.36 1pyf h VAL 41 Ca 0.01 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.14 1pyf h VAL 41 Cb 0.11 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1pyf h VAL 41 CO -0.04 0.13 0.29 -0.09 0.02 0.00 0.00 177.57 177.88 1pyf h ARG 42 N 0.10 0.55 -0.10 1.57 2.43 -0.96 -1.84 114.38 116.14 1pyf h ARG 42 Ca 0.05 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 1pyf h ARG 42 Cb 0.15 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1pyf h ARG 42 CO -0.01 0.36 -0.43 0.93 -1.51 0.00 0.00 179.97 179.32 1pyf h GLU 43 N 0.57 0.22 0.12 0.20 4.39 -0.23 -0.48 114.58 119.37 1pyf h GLU 43 Ca 0.21 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1pyf h GLU 43 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1pyf h GLU 43 CO -0.11 0.62 -0.06 0.00 -1.16 0.00 0.00 179.01 178.30 1pyf h ALA 44 N 1.37 -0.16 -0.64 3.43 0.00 -0.71 -0.46 119.26 122.07 1pyf h ALA 44 Ca 0.01 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1pyf h ALA 44 Cb 0.85 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1pyf h ALA 44 CO 0.07 -0.54 0.40 0.82 0.00 0.00 0.00 179.25 179.99 1pyf h ILE 45 N -0.26 1.18 -0.39 0.00 2.04 -1.20 -1.63 117.51 117.25 1pyf h ILE 45 Ca -0.02 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1pyf h ILE 45 Cb 0.21 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1pyf h ILE 45 CO 0.03 0.18 0.26 0.03 0.00 0.00 0.00 178.15 178.65 1pyf h ARG 46 N 0.87 0.49 -0.44 2.37 3.08 -0.83 -2.11 114.38 117.81 1pyf h ARG 46 Ca 0.23 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1pyf h ARG 46 Cb -0.05 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.89 1pyf h ARG 46 CO -0.05 0.33 0.00 0.09 -1.07 0.00 0.00 179.97 179.27 1pyf n ASN 47 N -4.48 2.24 0.00 7.04 3.02 -0.21 -4.94 115.26 117.94 1pyf n ASN 47 Ca 0.03 -2.08 0.00 0.00 -0.03 0.00 0.00 54.58 52.51 1pyf n ASN 47 Cb 0.08 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1pyf n ASN 47 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pyf n GLY 48 N 0.98 0.50 3.74 7.41 0.00 -0.79 -5.05 105.19 111.98 1pyf n GLY 48 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1pyf n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pyf s VAL 49 N -2.18 3.13 -0.33 1.61 1.01 -0.65 -4.72 120.40 118.27 1pyf s VAL 49 Ca 0.00 0.96 0.10 0.00 0.00 0.00 0.00 61.98 63.04 1pyf s VAL 49 Cb 0.00 -3.61 0.73 0.00 0.00 0.00 0.00 36.38 33.50 1pyf s VAL 49 CO 0.00 0.15 1.75 0.41 0.00 0.00 0.00 175.10 177.41 1pyf n THR 50 N 2.39 2.78 0.00 3.92 -1.04 -1.26 -4.34 114.28 116.73 1pyf n THR 50 Ca 0.05 -1.49 0.00 0.00 -2.04 0.00 0.00 64.05 60.57 1pyf n THR 50 Cb 0.43 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 1pyf n THR 50 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1pyf n LEU 52 N 0.03 0.00 -4.37 -4.42 4.77 -0.47 -0.49 117.00 112.04 1pyf n LEU 52 Ca 0.37 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.99 1pyf n LEU 52 Cb 1.31 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 42.27 1pyf n LEU 52 CO 0.40 0.00 -0.31 -0.62 -1.33 0.00 0.00 177.39 175.53 1pyf s ASP 53 N 0.00 4.86 0.00 -1.43 -1.08 -0.59 -1.07 116.67 117.36 1pyf s ASP 53 Ca 0.00 -0.40 0.00 0.00 -0.52 0.00 0.00 52.55 51.63 1pyf s ASP 53 Cb 0.00 -1.85 -0.00 0.00 -1.46 0.00 0.00 42.92 39.61 1pyf s ASP 53 CO 0.00 -0.07 0.00 1.07 0.52 0.00 0.00 175.17 176.69 1pyf n THR 54 N 4.87 0.00 -3.57 1.71 5.66 -0.23 -1.25 114.28 121.47 1pyf n THR 54 Ca -0.16 -0.01 -0.08 0.00 -3.05 0.00 0.00 64.05 60.75 1pyf n THR 54 Cb 0.50 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.25 1pyf n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pyf s ALA 55 N -2.00 -1.96 0.16 1.79 0.00 -1.26 -3.54 121.76 114.94 1pyf s ALA 55 Ca 0.00 1.50 -0.16 0.00 0.00 0.00 0.00 51.96 53.30 1pyf s ALA 55 Cb 0.00 -0.44 0.08 0.00 0.00 0.00 0.00 23.12 22.76 1pyf s ALA 55 CO 0.00 -0.44 1.75 -0.92 0.00 0.00 0.00 175.76 176.15 1pyf h TYR 56 N 2.26 0.24 0.00 0.00 3.20 -1.80 -1.84 116.97 119.03 1pyf h TYR 56 Ca -0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.73 1pyf h TYR 56 Cb 1.18 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.40 1pyf h TYR 56 CO 0.27 0.10 0.01 0.97 -1.64 0.00 0.00 178.16 177.86 1pyf h ILE 57 N 0.29 0.00 -1.61 1.81 6.09 -1.94 0.18 117.51 122.32 1pyf h ILE 57 Ca 0.18 0.00 -0.46 0.00 -1.37 0.00 0.00 64.86 63.21 1pyf h ILE 57 Cb 0.15 0.89 -0.05 0.00 0.47 0.00 0.00 36.82 38.28 1pyf h ILE 57 CO -0.18 0.00 1.15 -0.31 -3.07 0.00 0.00 178.15 175.74 1pyf s TYR 58 N -4.03 1.86 -0.18 2.19 2.02 -0.69 -2.52 117.35 116.00 1pyf s TYR 58 Ca -0.04 0.49 0.00 0.00 -0.37 0.00 0.00 57.07 57.14 1pyf s TYR 58 Cb 0.12 -4.21 0.00 0.00 -0.40 0.00 0.00 41.96 37.47 1pyf s TYR 58 CO 0.36 -2.09 0.00 0.41 -1.57 0.00 0.00 175.55 172.67 1pyf n GLY 59 N 6.07 0.51 3.76 0.71 0.00 -1.25 -2.07 105.19 112.93 1pyf n GLY 59 Ca 0.24 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 1pyf n GLY 59 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pyf n ILE 60 N -2.81 -4.42 0.00 -0.61 2.08 -0.78 -2.21 119.36 110.61 1pyf n ILE 60 Ca -0.02 -0.60 0.00 0.00 0.56 0.00 0.00 62.75 62.69 1pyf n ILE 60 Cb 0.13 -3.61 0.00 0.00 -0.75 0.00 0.00 39.64 35.41 1pyf n ILE 60 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1pyf n GLY 61 N -1.71 3.17 0.21 7.39 0.00 0.55 -4.97 105.19 109.83 1pyf n GLY 61 Ca -0.26 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 1pyf n GLY 61 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1pyf h ARG 62 N 2.11 0.43 -0.17 1.61 9.65 -1.48 -2.11 114.38 124.42 1pyf h ARG 62 Ca 0.00 -0.24 -0.00 0.00 -1.10 0.00 0.00 59.98 58.64 1pyf h ARG 62 Cb 0.00 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 1pyf h ARG 62 CO 0.00 0.81 0.09 1.03 2.80 0.00 0.00 179.97 184.71 1pyf h SER 63 N 0.35 0.22 -0.99 -3.80 0.87 -1.46 -0.26 113.55 108.48 1pyf h SER 63 Ca 0.02 -0.09 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 1pyf h SER 63 Cb 0.95 -0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.81 1pyf h SER 63 CO 0.08 0.24 0.66 -0.33 -0.53 0.00 0.00 176.83 176.95 1pyf h GLU 64 N 0.18 1.30 -0.58 2.24 5.08 -1.77 -0.25 114.58 120.78 1pyf h GLU 64 Ca 0.06 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1pyf h GLU 64 Cb 0.07 -0.29 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1pyf h GLU 64 CO -0.01 0.86 -0.02 0.93 -1.00 0.00 0.00 179.01 179.77 1pyf h GLU 65 N 1.34 1.03 -0.25 2.33 5.08 -0.94 -1.21 114.58 121.96 1pyf h GLU 65 Ca 0.36 -0.33 -0.16 0.00 -1.00 0.00 0.00 59.36 58.23 1pyf h GLU 65 Cb -0.15 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1pyf h GLU 65 CO -0.08 1.01 -0.49 -0.07 -1.00 0.00 0.00 179.01 178.38 1pyf h LEU 66 N 0.94 0.76 -0.49 1.33 3.38 -0.61 -1.91 115.31 118.71 1pyf h LEU 66 Ca 0.16 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1pyf h LEU 66 Cb 0.56 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1pyf h LEU 66 CO 0.03 1.12 0.14 0.40 0.09 0.00 0.00 178.44 180.23 1pyf h ILE 67 N 0.55 1.23 -0.91 1.22 2.04 -0.97 -2.07 117.51 118.60 1pyf h ILE 67 Ca 0.02 -0.79 0.05 0.00 1.00 0.00 0.00 64.86 65.15 1pyf h ILE 67 Cb 1.05 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.89 1pyf h ILE 67 CO 0.10 0.29 0.60 1.23 0.00 0.00 0.00 178.15 180.36 1pyf h GLY 68 N 0.67 1.32 1.00 5.37 0.00 -1.03 0.80 103.07 111.20 1pyf h GLY 68 Ca 0.16 -0.43 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 1pyf h GLY 68 CO -0.00 0.34 0.13 0.83 0.00 0.00 0.00 176.54 177.84 1pyf h GLU 69 N 1.09 0.90 -0.19 4.80 5.08 -0.87 -2.85 114.58 122.54 1pyf h GLU 69 Ca 0.38 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1pyf h GLU 69 Cb 0.11 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1pyf h GLU 69 CO -0.13 0.85 -0.37 0.28 -1.00 0.00 0.00 179.01 178.64 1pyf h VAL 70 N 0.80 1.29 -0.70 3.13 2.07 -0.66 -2.95 116.25 119.23 1pyf h VAL 70 Ca 0.17 -1.47 0.11 0.00 0.82 0.00 0.00 66.70 66.34 1pyf h VAL 70 Cb 0.36 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.64 1pyf h VAL 70 CO 0.00 0.45 0.47 0.25 0.02 0.00 0.00 177.57 178.76 1pyf h LEU 71 N 0.34 0.46 -2.05 2.57 5.85 -0.64 -0.63 115.31 121.21 1pyf h LEU 71 Ca 0.04 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.89 1pyf h LEU 71 Cb 0.81 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1pyf h LEU 71 CO 0.06 0.27 0.36 0.03 -0.34 0.00 0.00 178.44 178.82 1pyf h ARG 72 N 0.51 0.00 0.00 1.25 3.08 -1.44 -1.02 114.38 116.76 1pyf h ARG 72 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1pyf h ARG 72 Cb 0.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.65 1pyf h ARG 72 CO -0.11 0.00 -0.00 0.39 -1.07 0.00 0.00 179.97 179.18 1pyf n GLU 73 N -3.98 0.01 -2.88 0.04 1.02 -0.24 -4.90 120.64 109.71 1pyf n GLU 73 Ca 0.07 0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.12 1pyf n GLU 73 Cb 0.54 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.42 1pyf n GLU 73 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1pyf n PHE 74 N -1.52 0.15 -3.53 -0.32 3.72 -0.39 -5.13 117.46 110.44 1pyf n PHE 74 Ca 0.07 -0.91 -0.37 0.00 -0.05 0.00 0.00 57.45 56.19 1pyf n PHE 74 Cb 0.34 -0.03 -0.08 0.00 -0.94 0.00 0.00 39.48 38.77 1pyf n PHE 74 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1pyf s ASN 75 N -1.91 6.30 0.27 4.37 0.01 -1.26 -4.99 114.94 117.73 1pyf s ASN 75 Ca 0.05 0.34 -0.01 0.00 -0.71 0.00 0.00 52.86 52.54 1pyf s ASN 75 Cb 0.00 -2.17 0.52 0.00 0.41 0.00 0.00 41.25 40.01 1pyf s ASN 75 CO 0.04 0.02 1.80 -0.09 -1.51 0.00 0.00 177.10 177.35 1pyf h ARG 76 N 7.29 0.78 0.00 -0.60 9.65 -1.95 -0.96 114.38 128.59 1pyf h ARG 76 Ca -0.38 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.46 1pyf h ARG 76 Cb 1.16 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.57 1pyf h ARG 76 CO 0.70 0.52 0.00 0.39 2.80 0.00 0.00 179.97 184.38 1pyf n GLU 77 N -4.74 0.00 0.00 0.20 -0.58 -1.26 -2.30 120.64 111.95 1pyf n GLU 77 Ca 0.17 0.24 0.14 0.00 -0.42 0.00 0.00 57.16 57.30 1pyf n GLU 77 Cb 0.38 -1.50 0.59 0.00 -0.57 0.00 0.00 31.44 30.33 1pyf n GLU 77 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1pyf n ASP 78 N -1.51 0.47 -4.31 1.62 8.00 -0.36 -4.85 116.55 115.62 1pyf n ASP 78 Ca 0.04 -0.53 -0.26 0.00 0.71 0.00 0.00 54.79 54.74 1pyf n ASP 78 Cb 0.18 -0.07 -0.13 0.00 -0.02 0.00 0.00 41.12 41.07 1pyf n ASP 78 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pyf s VAL 79 N -2.52 1.88 -0.25 2.53 1.01 -0.98 -4.88 120.40 117.20 1pyf s VAL 79 Ca 0.27 -1.46 -0.04 0.00 0.00 0.00 0.00 61.98 60.76 1pyf s VAL 79 Cb 0.20 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1pyf s VAL 79 CO 0.49 0.13 -0.02 -0.69 0.00 0.00 0.00 175.10 175.00 1pyf s VAL 80 N -0.97 3.28 -0.21 2.92 1.01 0.35 -4.99 120.40 121.79 1pyf s VAL 80 Ca 0.09 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 1pyf s VAL 80 Cb -0.10 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1pyf s VAL 80 CO 0.03 0.24 0.10 -0.63 0.00 0.00 0.00 175.10 174.84 1pyf s ILE 81 N 1.41 4.92 -0.08 2.22 1.01 -1.26 -1.37 121.20 128.05 1pyf s ILE 81 Ca 0.02 0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.74 1pyf s ILE 81 Cb -0.16 -3.26 -0.01 0.00 0.01 0.00 0.00 42.46 39.05 1pyf s ILE 81 CO -0.03 0.41 -0.23 0.00 0.00 0.00 0.00 174.94 175.09 1pyf s ALA 82 N 0.75 2.21 0.33 9.38 0.00 -0.23 -1.80 121.76 132.41 1pyf s ALA 82 Ca 0.05 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.06 1pyf s ALA 82 Cb -0.13 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 1pyf s ALA 82 CO 0.02 0.35 0.32 -0.08 0.00 0.00 0.00 175.76 176.37 1pyf s THR 83 N 0.11 0.00 0.10 0.00 -1.32 -0.36 -1.06 115.64 113.11 1pyf s THR 83 Ca -0.11 -1.90 -0.16 0.00 -1.21 0.00 0.00 61.69 58.31 1pyf s THR 83 Cb -0.16 -2.54 0.03 0.00 -1.51 0.00 0.00 72.50 68.32 1pyf s THR 83 CO 0.06 0.00 0.37 -0.54 -2.21 0.00 0.00 174.62 172.31 1pyf s LYS 84 N -3.35 1.00 0.05 7.08 1.02 -1.23 -0.87 119.74 123.43 1pyf s LYS 84 Ca 0.38 -0.65 -0.13 0.00 0.02 0.00 0.00 55.97 55.59 1pyf s LYS 84 Cb 0.02 0.44 0.02 0.00 -0.52 0.00 0.00 37.83 37.78 1pyf s LYS 84 CO 0.26 -0.37 0.29 0.00 -0.92 0.00 0.00 175.35 174.61 1pyf s ALA 85 N -3.46 -0.65 0.00 5.17 0.00 -0.89 -1.96 121.76 119.97 1pyf s ALA 85 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1pyf s ALA 85 Cb 0.01 0.34 0.00 0.00 0.00 0.00 0.00 23.12 23.48 1pyf s ALA 85 CO -0.09 -0.42 0.00 0.00 0.00 0.00 0.00 175.76 175.24 1pyf n ALA 86 N 0.52 0.00 -1.89 0.00 0.00 -1.26 -1.16 120.51 116.72 1pyf n ALA 86 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 1pyf n ALA 86 Cb 0.60 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.02 1pyf n ALA 86 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1pyf s HIS 87 N 0.00 2.84 -0.11 0.00 3.76 -1.26 -1.13 115.29 119.39 1pyf s HIS 87 Ca 0.00 0.47 0.01 0.00 -0.15 0.00 0.00 55.06 55.40 1pyf s HIS 87 Cb 0.00 -3.98 0.02 0.00 1.11 0.00 0.00 32.58 29.72 1pyf s HIS 87 CO 0.00 -3.75 -0.14 0.50 -0.85 0.00 0.00 174.74 170.50 1pyf s ARG 88 N 1.58 2.10 0.24 1.40 3.52 0.02 -4.93 118.95 122.88 1pyf s ARG 88 Ca 0.72 -0.51 -0.31 0.00 -0.13 0.00 0.00 55.73 55.51 1pyf s ARG 88 Cb -0.44 -1.84 -0.11 0.00 -1.56 0.00 0.00 34.95 31.00 1pyf s ARG 88 CO 0.32 -0.10 1.60 0.21 -0.81 0.00 0.00 175.30 176.52 1pyf s LYS 89 N 1.11 4.16 -0.24 5.12 2.20 -1.26 -1.42 119.74 129.41 1pyf s LYS 89 Ca -0.04 2.51 -0.03 0.00 -0.36 0.00 0.00 55.97 58.05 1pyf s LYS 89 Cb -0.14 -3.07 0.11 0.00 -1.51 0.00 0.00 37.83 33.21 1pyf s LYS 89 CO -0.03 -0.63 0.24 -0.65 -0.36 0.00 0.00 175.35 173.92 1pyf s GLN 90 N 0.23 0.24 7.31 4.03 -1.52 -0.38 -4.87 119.66 124.70 1pyf s GLN 90 Ca 0.67 -0.00 0.00 0.00 -1.95 0.00 0.00 55.36 54.08 1pyf s GLN 90 Cb -0.47 -1.00 0.00 0.00 -0.22 0.00 0.00 33.01 31.32 1pyf s GLN 90 CO 0.40 -0.83 0.00 0.41 -0.25 0.00 0.00 175.29 175.02 1pyf n GLY 91 N 5.31 2.40 1.01 3.09 0.00 -1.26 -2.47 105.19 113.28 1pyf n GLY 91 Ca -0.04 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.74 1pyf n GLY 91 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pyf n ASN 92 N 6.77 3.99 0.00 1.61 2.85 -1.26 -4.97 115.26 124.24 1pyf n ASN 92 Ca 0.00 -2.79 0.00 0.00 -0.11 0.00 0.00 54.58 51.68 1pyf n ASN 92 Cb 0.00 -0.51 0.00 0.00 1.24 0.00 0.00 39.78 40.51 1pyf n ASN 92 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1pyf n ASP 93 N -0.08 0.00 -4.15 1.20 2.03 -1.03 -5.19 116.55 109.33 1pyf n ASP 93 Ca 0.21 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.42 1pyf n ASP 93 Cb 0.84 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 41.14 1pyf n ASP 93 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1pyf s PHE 94 N 0.91 0.81 0.21 -0.67 0.08 -1.26 -1.25 117.98 116.80 1pyf s PHE 94 Ca 0.00 -0.92 0.08 0.00 0.12 0.00 0.00 56.93 56.21 1pyf s PHE 94 Cb 0.00 -0.49 -0.05 0.00 -0.57 0.00 0.00 43.02 41.92 1pyf s PHE 94 CO 0.00 -0.19 -0.13 0.54 -0.10 0.00 0.00 175.22 175.34 1pyf s VAL 95 N -3.56 1.71 0.10 -0.44 0.11 -0.51 -4.86 120.40 112.97 1pyf s VAL 95 Ca 0.10 -2.20 -0.16 0.00 -2.93 0.00 0.00 61.98 56.79 1pyf s VAL 95 Cb 0.05 -2.08 -0.07 0.00 -1.53 0.00 0.00 36.38 32.75 1pyf s VAL 95 CO -0.05 -0.57 0.53 -0.36 -3.33 0.00 0.00 175.10 171.32 1pyf s PHE 96 N -2.99 3.68 -0.05 1.54 0.08 -1.26 -0.80 117.98 118.18 1pyf s PHE 96 Ca 0.23 1.10 -0.01 0.00 0.12 0.00 0.00 56.93 58.38 1pyf s PHE 96 Cb -0.00 -2.39 0.03 0.00 -0.57 0.00 0.00 43.02 40.09 1pyf s PHE 96 CO 0.07 0.51 0.01 0.34 -0.10 0.00 0.00 175.22 176.05 1pyf s ASP 97 N -1.46 1.07 -0.07 1.36 -1.08 -0.28 -4.74 116.67 111.47 1pyf s ASP 97 Ca 0.33 -0.03 0.10 0.00 -0.52 0.00 0.00 52.55 52.43 1pyf s ASP 97 Cb -0.16 -0.30 0.17 0.00 -1.46 0.00 0.00 42.92 41.16 1pyf s ASP 97 CO 0.18 -0.17 1.10 0.59 0.52 0.00 0.00 175.17 177.39 1pyf n ASN 98 N 4.79 2.28 -4.75 -0.34 5.03 -1.26 -4.52 115.26 116.49 1pyf n ASN 98 Ca -0.13 -2.53 -0.38 0.00 0.87 0.00 0.00 54.58 52.40 1pyf n ASN 98 Cb 0.50 -0.23 0.04 0.00 -1.02 0.00 0.00 39.78 39.08 1pyf n ASN 98 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1pyf s SER 99 N -1.88 5.18 0.19 6.41 1.04 -1.26 -4.52 113.70 118.86 1pyf s SER 99 Ca 0.17 2.74 -0.13 0.00 0.48 0.00 0.00 55.95 59.21 1pyf s SER 99 Cb 0.14 -2.63 0.21 0.00 0.10 0.00 0.00 66.02 63.84 1pyf s SER 99 CO 0.02 -1.63 1.67 -0.65 0.98 0.00 0.00 173.24 173.64 1pyf h PRO 100 N 1.32 0.10 -0.36 4.02 0.11 -1.90 -1.47 132.00 133.83 1pyf h PRO 100 Ca -0.51 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 1pyf h PRO 100 Cb 1.30 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1pyf h PRO 100 CO 0.57 0.06 -0.14 -0.44 -0.21 0.00 0.00 178.00 177.84 1pyf h ASP 101 N 0.10 0.63 -0.37 -2.05 3.32 -1.98 -1.92 116.42 114.14 1pyf h ASP 101 Ca 0.27 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.09 1pyf h ASP 101 Cb 0.41 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1pyf h ASP 101 CO -0.46 0.79 0.06 0.15 -1.72 0.00 0.00 179.24 178.06 1pyf h PHE 102 N 0.58 0.64 -0.50 4.55 3.57 -1.75 -1.50 116.94 122.54 1pyf h PHE 102 Ca 0.10 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 1pyf h PHE 102 Cb 0.57 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1pyf h PHE 102 CO 0.02 0.66 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.60 1pyf h LEU 103 N 0.45 0.90 -0.49 0.59 3.38 -1.11 0.73 115.31 119.76 1pyf h LEU 103 Ca 0.11 -0.28 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1pyf h LEU 103 Cb 0.36 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1pyf h LEU 103 CO 0.01 1.01 -0.19 0.11 0.09 0.00 0.00 178.44 179.47 1pyf h LYS 104 N 0.81 1.00 -0.39 1.13 1.57 -1.25 -1.72 116.57 117.73 1pyf h LYS 104 Ca 0.13 -0.42 -0.09 0.00 -1.87 0.00 0.00 60.65 58.41 1pyf h LYS 104 Cb 0.62 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1pyf h LYS 104 CO 0.04 1.09 -0.12 -0.22 -0.57 0.00 0.00 179.45 179.68 1pyf h LYS 105 N 0.86 0.69 -0.32 3.15 3.64 -1.04 -2.22 116.57 121.33 1pyf h LYS 105 Ca 0.12 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.20 1pyf h LYS 105 Cb 0.77 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.51 1pyf h LYS 105 CO 0.06 0.78 -0.10 0.77 -2.27 0.00 0.00 179.45 178.69 1pyf h SER 106 N 0.63 0.53 -0.19 4.20 0.02 -0.59 -0.58 113.55 117.56 1pyf h SER 106 Ca 0.11 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1pyf h SER 106 Cb 0.56 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1pyf h SER 106 CO 0.04 0.67 0.01 0.58 -1.14 0.00 0.00 176.83 176.98 1pyf h VAL 107 N 0.51 1.25 -0.54 2.27 2.07 -1.00 -0.65 116.25 120.15 1pyf h VAL 107 Ca 0.10 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 66.83 1pyf h VAL 107 Cb 0.48 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 1pyf h VAL 107 CO 0.03 0.26 0.27 0.44 0.02 0.00 0.00 177.57 178.59 1pyf h ASP 108 N 0.10 0.39 0.09 0.57 3.32 -1.10 -1.57 116.42 118.22 1pyf h ASP 108 Ca 0.06 0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.02 1pyf h ASP 108 Cb 0.37 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1pyf h ASP 108 CO 0.01 0.27 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.07 1pyf h GLU 109 N 0.53 0.39 -0.46 3.56 5.08 -1.02 -2.51 114.58 120.15 1pyf h GLU 109 Ca 0.24 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1pyf h GLU 109 Cb 0.15 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1pyf h GLU 109 CO -0.17 0.72 0.08 1.03 -1.00 0.00 0.00 179.01 179.67 1pyf h SER 110 N 0.33 0.72 -1.00 1.42 0.87 -0.73 -1.68 113.55 113.49 1pyf h SER 110 Ca 0.03 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.36 1pyf h SER 110 Cb 0.83 -0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 1pyf h SER 110 CO 0.07 0.80 0.66 -0.07 -0.53 0.00 0.00 176.83 177.75 1pyf h LEU 111 N 0.62 1.13 -0.46 2.23 3.38 -1.13 0.02 115.31 121.09 1pyf h LEU 111 Ca 0.14 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 1pyf h LEU 111 Cb 0.38 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1pyf h LEU 111 CO 0.01 0.80 0.05 0.11 0.09 0.00 0.00 178.44 179.50 1pyf h LYS 112 N 1.32 0.79 -0.49 1.13 1.79 -1.19 0.79 116.57 120.70 1pyf h LYS 112 Ca 0.38 -0.22 -0.06 0.00 -2.18 0.00 0.00 60.65 58.56 1pyf h LYS 112 Cb -0.09 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.45 1pyf h LYS 112 CO -0.10 0.81 0.06 0.00 -1.08 0.00 0.00 179.45 179.15 1pyf h ARG 113 N 0.65 0.83 0.00 3.15 3.08 -0.58 -2.51 114.38 119.00 1pyf h ARG 113 Ca 0.14 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1pyf h ARG 113 Cb 0.43 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1pyf h ARG 113 CO 0.01 0.84 0.00 -0.07 -1.07 0.00 0.00 179.97 179.68 1pyf h LEU 114 N 0.70 0.00 -2.20 3.04 3.38 -0.93 -3.35 115.31 115.95 1pyf h LEU 114 Ca 0.15 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.77 1pyf h LEU 114 Cb 0.43 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.31 1pyf h LEU 114 CO 0.01 0.00 -0.84 -3.20 0.09 0.00 0.00 178.44 174.50 1pyf n ASN 115 N -2.78 -3.72 -3.97 -0.43 5.15 0.24 -4.28 115.26 105.47 1pyf n ASN 115 Ca 0.02 -0.78 -0.09 0.00 -0.60 0.00 0.00 54.58 53.13 1pyf n ASN 115 Cb 0.32 -4.53 -0.08 0.00 -0.53 0.00 0.00 39.78 34.96 1pyf n ASN 115 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1pyf s THR 116 N -3.48 0.09 -0.94 -0.44 -1.32 -1.02 -5.02 115.64 103.51 1pyf s THR 116 Ca 0.22 -1.44 0.23 0.00 -1.21 0.00 0.00 61.69 59.49 1pyf s THR 116 Cb -0.05 -1.76 -0.11 0.00 -1.51 0.00 0.00 72.50 69.08 1pyf s THR 116 CO 0.78 -0.42 1.15 -0.90 -2.21 0.00 0.00 174.62 173.02 1pyf n ASP 117 N -0.15 0.71 -3.69 8.08 5.75 -1.26 -4.66 116.55 121.33 1pyf n ASP 117 Ca -0.09 -0.55 -0.11 0.00 -0.01 0.00 0.00 54.79 54.04 1pyf n ASP 117 Cb 0.63 0.63 -0.06 0.00 -1.03 0.00 0.00 41.12 41.30 1pyf n ASP 117 CO 0.00 0.00 0.00 -0.72 -0.11 0.00 0.00 177.20 176.37 1pyf s TYR 118 N -3.03 -0.14 -0.05 2.11 1.13 -1.26 -4.69 117.35 111.43 1pyf s TYR 118 Ca 0.09 -0.15 0.05 0.00 -1.41 0.00 0.00 57.07 55.65 1pyf s TYR 118 Cb 0.16 0.18 -0.02 0.00 -1.10 0.00 0.00 41.96 41.18 1pyf s TYR 118 CO 0.78 -0.63 -0.19 0.42 -2.51 0.00 0.00 175.55 173.42 1pyf s ILE 119 N -3.51 2.67 0.01 -3.49 1.01 -0.05 -5.00 121.20 112.84 1pyf s ILE 119 Ca 0.01 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 1pyf s ILE 119 Cb 0.02 -2.02 -0.24 0.00 0.01 0.00 0.00 42.46 40.24 1pyf s ILE 119 CO -0.10 0.58 1.10 0.44 0.00 0.00 0.00 174.94 176.96 1pyf h ASP 120 N 5.54 0.56 -3.42 3.58 5.19 -1.67 -1.61 116.42 124.59 1pyf h ASP 120 Ca -0.43 -0.77 -0.38 0.00 -0.62 0.00 0.00 57.03 54.84 1pyf h ASP 120 Cb 1.15 -0.17 -0.35 0.00 0.18 0.00 0.00 39.33 40.13 1pyf h ASP 120 CO 0.49 1.26 -0.76 -0.22 -3.12 0.00 0.00 179.24 176.89 1pyf s LEU 121 N -8.30 0.99 -0.13 1.55 2.96 -0.81 -1.56 118.68 113.39 1pyf s LEU 121 Ca -0.13 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1pyf s LEU 121 Cb 0.04 -0.32 0.01 0.00 0.50 0.00 0.00 46.19 46.42 1pyf s LEU 121 CO 0.83 -0.12 -0.18 0.12 -1.32 0.00 0.00 176.35 175.67 1pyf s PHE 122 N 1.30 2.34 0.08 5.38 2.19 -0.72 -1.22 117.98 127.34 1pyf s PHE 122 Ca -0.06 -1.17 0.03 0.00 0.33 0.00 0.00 56.93 56.05 1pyf s PHE 122 Cb -0.13 -1.64 -0.04 0.00 -1.31 0.00 0.00 43.02 39.90 1pyf s PHE 122 CO -0.02 -0.57 0.11 0.71 1.83 0.00 0.00 175.22 177.28 1pyf s TYR 123 N 0.96 3.26 -0.40 10.12 1.51 -0.05 -1.21 117.35 131.53 1pyf s TYR 123 Ca -0.05 0.11 -0.23 0.00 -1.01 0.00 0.00 57.07 55.88 1pyf s TYR 123 Cb -0.15 -1.64 0.02 0.00 -0.11 0.00 0.00 41.96 40.08 1pyf s TYR 123 CO -0.03 0.54 0.80 0.42 -1.11 0.00 0.00 175.55 176.16 1pyf s ILE 124 N -1.45 4.68 0.18 2.71 1.01 -0.53 -2.10 121.20 125.70 1pyf s ILE 124 Ca 0.31 0.72 -0.10 0.00 0.00 0.00 0.00 60.65 61.58 1pyf s ILE 124 Cb -0.12 -4.27 0.07 0.00 0.01 0.00 0.00 42.46 38.15 1pyf s ILE 124 CO 0.23 -0.57 1.65 -0.74 0.00 0.00 0.00 174.94 175.51 1pyf h HIS 125 N 8.70 1.15 -3.19 3.97 2.76 -1.42 -2.20 115.15 124.93 1pyf h HIS 125 Ca -0.25 -0.19 -0.14 0.00 -2.20 0.00 0.00 60.37 57.59 1pyf h HIS 125 Cb 1.09 -0.30 -0.22 0.00 1.55 0.00 0.00 27.41 29.53 1pyf h HIS 125 CO 0.80 1.01 -0.38 -0.06 -1.30 0.00 0.00 177.93 178.00 1pyf s PHE 126 N -5.07 -0.16 0.29 5.26 0.40 -1.25 -4.34 117.98 113.12 1pyf s PHE 126 Ca -0.12 0.31 -0.28 0.00 -0.60 0.00 0.00 56.93 56.23 1pyf s PHE 126 Cb 0.13 0.06 -0.09 0.00 0.51 0.00 0.00 43.02 43.63 1pyf s PHE 126 CO 0.85 -0.28 1.03 -1.25 0.70 0.00 0.00 175.22 176.28 1pyf s PRO 127 N -0.85 4.61 0.59 0.24 0.04 -1.26 -4.84 135.00 133.53 1pyf s PRO 127 Ca -0.09 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 1pyf s PRO 127 Cb -0.05 -3.06 0.12 0.00 0.04 0.00 0.00 34.50 31.55 1pyf s PRO 127 CO 0.02 0.24 0.81 -0.40 0.04 0.00 0.00 177.00 177.71 1pyf n ASP 128 N 0.99 1.03 0.03 6.66 5.68 -1.26 -4.92 116.55 124.76 1pyf n ASP 128 Ca -0.00 -1.88 -0.21 0.00 -0.50 0.00 0.00 54.79 52.20 1pyf n ASP 128 Cb 0.47 -0.53 -0.14 0.00 -1.14 0.00 0.00 41.12 39.77 1pyf n ASP 128 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1pyf h GLU 129 N 0.00 0.30 0.00 0.11 4.81 -1.98 -3.42 114.58 114.39 1pyf h GLU 129 Ca -0.27 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.45 1pyf h GLU 129 Cb 0.97 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.54 1pyf h GLU 129 CO 0.28 1.21 -1.34 0.72 -0.73 0.00 0.00 179.01 179.15 1pyf n HIS 130 N -3.50 0.00 -2.82 0.92 8.25 -1.26 -4.94 115.22 111.87 1pyf n HIS 130 Ca -0.27 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.77 1pyf n HIS 130 Cb 1.06 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.95 1pyf n HIS 130 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1pyf s THR 131 N -3.13 4.85 0.10 1.59 2.01 -1.26 -4.99 115.64 114.81 1pyf s THR 131 Ca 0.02 1.78 -0.32 0.00 0.31 0.00 0.00 61.69 63.48 1pyf s THR 131 Cb 0.15 -4.20 -0.12 0.00 0.01 0.00 0.00 72.50 68.34 1pyf s THR 131 CO 0.85 0.02 1.79 -2.65 -0.69 0.00 0.00 174.62 173.94 1pyf n PRO 132 N 5.13 2.56 0.27 4.92 -0.02 -1.26 -4.86 135.00 141.74 1pyf n PRO 132 Ca 0.06 0.93 0.15 0.00 -2.02 0.00 0.00 63.50 62.62 1pyf n PRO 132 Cb 0.49 -2.79 0.75 0.00 -0.02 0.00 0.00 33.50 31.93 1pyf n PRO 132 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1pyf h LYS 133 N 8.10 0.00 0.00 -0.52 1.79 -1.91 -1.69 116.57 122.35 1pyf h LYS 133 Ca -0.46 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 57.90 1pyf h LYS 133 Cb 1.24 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.87 1pyf h LYS 133 CO 0.94 0.09 -0.53 0.38 -1.08 0.00 0.00 179.45 179.25 1pyf h ASP 134 N 0.00 0.00 0.23 0.86 2.03 -1.81 -1.54 116.42 116.18 1pyf h ASP 134 Ca -0.00 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.04 1pyf h ASP 134 Cb 0.39 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.91 1pyf h ASP 134 CO 0.01 0.53 -1.06 -0.33 -1.03 0.00 0.00 179.24 177.36 1pyf h GLU 135 N 0.00 0.53 -0.05 4.15 5.08 -1.67 -0.05 114.58 122.57 1pyf h GLU 135 Ca -0.01 -0.61 0.01 0.00 -1.00 0.00 0.00 59.36 57.75 1pyf h GLU 135 Cb 1.08 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1pyf h GLU 135 CO 0.07 1.23 0.00 0.00 -1.00 0.00 0.00 179.01 179.32 1pyf h ALA 136 N 0.54 0.05 -0.76 3.43 0.00 -1.41 -0.58 119.26 120.53 1pyf h ALA 136 Ca -0.12 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1pyf h ALA 136 Cb 1.72 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1pyf h ALA 136 CO 0.19 -0.48 0.34 0.28 0.00 0.00 0.00 179.25 179.58 1pyf h VAL 137 N 0.02 1.25 -0.62 0.00 2.07 -1.26 -2.11 116.25 115.61 1pyf h VAL 137 Ca 0.02 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 66.81 1pyf h VAL 137 Cb 0.02 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 1pyf h VAL 137 CO -0.04 0.31 0.41 -1.13 0.02 0.00 0.00 177.57 177.14 1pyf h ASN 138 N 1.09 0.68 -0.66 0.57 -1.24 -0.68 0.23 115.58 115.57 1pyf h ASN 138 Ca 0.26 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.24 1pyf h ASN 138 Cb 0.17 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 39.02 1pyf h ASN 138 CO -0.03 0.49 0.35 0.00 -1.29 0.00 0.00 177.43 176.95 1pyf h ALA 139 N 1.62 0.85 -0.04 1.57 0.00 -0.43 -1.77 119.26 121.06 1pyf h ALA 139 Ca 0.23 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1pyf h ALA 139 Cb -0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1pyf h ALA 139 CO -0.06 0.37 -0.33 -0.07 0.00 0.00 0.00 179.25 179.17 1pyf h LEU 140 N 0.90 0.07 -1.53 0.00 3.38 -1.04 -2.26 115.31 114.83 1pyf h LEU 140 Ca 0.23 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1pyf h LEU 140 Cb 0.06 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1pyf h LEU 140 CO -0.04 0.40 -0.24 -1.13 0.09 0.00 0.00 178.44 177.52 1pyf h ASN 141 N 0.06 0.00 0.00 -0.43 -1.24 -0.15 -0.53 115.58 113.29 1pyf h ASN 141 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1pyf h ASN 141 Cb 0.62 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.67 1pyf h ASN 141 CO 0.05 0.24 0.00 -0.62 -1.29 0.00 0.00 177.43 175.81 1pyf n GLU 142 N -3.89 0.32 0.00 6.67 1.02 -0.85 -0.77 120.64 123.13 1pyf n GLU 142 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1pyf n GLU 142 Cb 0.33 -1.32 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1pyf n GLU 142 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1pyf n LYS 144 N 0.77 0.00 -0.23 3.49 4.81 -0.21 -2.21 118.16 124.58 1pyf n LYS 144 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1pyf n LYS 144 Cb 0.15 0.00 0.24 0.00 0.02 0.00 0.00 35.03 35.44 1pyf n LYS 144 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1pyf h LYS 145 N 0.00 1.01 -0.02 1.64 1.57 -1.22 -1.56 116.57 117.98 1pyf h LYS 145 Ca 0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1pyf h LYS 145 Cb 0.00 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.08 1pyf h LYS 145 CO 0.00 0.67 0.00 0.00 -0.57 0.00 0.00 179.45 179.55 1pyf n ALA 146 N -2.42 2.63 -0.87 3.86 0.00 -0.94 -4.90 120.51 117.87 1pyf n ALA 146 Ca 0.09 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1pyf n ALA 146 Cb 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1pyf n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pyf n GLY 147 N 0.98 0.87 0.18 0.00 0.00 -0.59 -4.92 105.19 101.71 1pyf n GLY 147 Ca 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 1pyf n GLY 147 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pyf h LYS 148 N 2.94 0.27 -5.18 1.61 1.79 -1.84 -3.44 116.57 112.73 1pyf h LYS 148 Ca 0.00 -0.17 -0.36 0.00 -2.18 0.00 0.00 60.65 57.94 1pyf h LYS 148 Cb 0.00 0.02 -0.14 0.00 -1.58 0.00 0.00 32.23 30.52 1pyf h LYS 148 CO 0.00 0.75 -0.71 0.96 -1.08 0.00 0.00 179.45 179.37 1pyf s ILE 149 N -3.88 1.28 -0.35 1.86 -4.36 -1.26 -0.87 121.20 113.62 1pyf s ILE 149 Ca -0.04 -2.09 0.04 0.00 -0.26 0.00 0.00 60.65 58.29 1pyf s ILE 149 Cb 0.12 -1.94 -0.00 0.00 1.25 0.00 0.00 42.46 41.89 1pyf s ILE 149 CO 0.80 -0.68 0.40 0.54 0.24 0.00 0.00 174.94 176.23 1pyf n ARG 150 N -0.26 2.66 -3.53 0.37 1.74 -0.60 -4.22 116.66 112.82 1pyf n ARG 150 Ca -0.09 -0.38 -0.12 0.00 -0.77 0.00 0.00 57.85 56.49 1pyf n ARG 150 Cb 0.61 -0.88 -0.04 0.00 -1.02 0.00 0.00 32.46 31.13 1pyf n ARG 150 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1pyf s SER 151 N -0.85 -0.46 -0.05 0.55 0.15 -0.60 -4.84 113.70 107.61 1pyf s SER 151 Ca 0.03 0.31 0.06 0.00 0.70 0.00 0.00 55.95 57.05 1pyf s SER 151 Cb 0.03 0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1pyf s SER 151 CO 0.10 -0.55 -0.23 -0.63 1.20 0.00 0.00 173.24 173.13 1pyf s ILE 152 N -2.01 1.89 0.22 6.45 1.01 -1.26 -1.76 121.20 125.75 1pyf s ILE 152 Ca -0.02 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 59.69 1pyf s ILE 152 Cb -0.01 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 1pyf s ILE 152 CO -0.01 0.53 -0.03 -0.83 0.00 0.00 0.00 174.94 174.60 1pyf s GLY 153 N -0.19 1.49 0.12 6.18 0.00 -0.35 -0.94 107.32 113.63 1pyf s GLY 153 Ca -0.01 -1.72 0.04 0.00 0.00 0.00 0.00 44.72 43.02 1pyf s GLY 153 CO 0.03 -1.67 -0.11 -1.34 0.00 0.00 0.00 173.10 170.01 1pyf s VAL 154 N -3.35 1.10 -0.02 1.40 -7.23 -0.76 -1.45 120.40 110.09 1pyf s VAL 154 Ca 0.26 -1.82 -0.06 0.00 -1.81 0.00 0.00 61.98 58.55 1pyf s VAL 154 Cb 0.05 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.40 1pyf s VAL 154 CO 0.07 -0.61 0.13 -0.55 -0.31 0.00 0.00 175.10 173.84 1pyf s SER 155 N -2.74 -0.04 -1.65 4.85 0.15 -0.83 -1.51 113.70 111.93 1pyf s SER 155 Ca 0.11 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1pyf s SER 155 Cb -0.01 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.55 1pyf s SER 155 CO 0.01 -0.22 0.00 0.59 1.20 0.00 0.00 173.24 174.81 1pyf n ASN 156 N 2.15 -5.03 -4.84 5.45 3.02 -1.10 -3.96 115.26 110.96 1pyf n ASN 156 Ca -0.18 0.24 -0.37 0.00 -0.03 0.00 0.00 54.58 54.23 1pyf n ASN 156 Cb 0.57 -4.07 -0.06 0.00 -0.61 0.00 0.00 39.78 35.62 1pyf n ASN 156 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1pyf s PHE 157 N -2.72 3.70 0.82 3.10 0.40 -1.26 -4.48 117.98 117.53 1pyf s PHE 157 Ca 0.00 1.06 -0.12 0.00 -0.60 0.00 0.00 56.93 57.28 1pyf s PHE 157 Cb 0.00 -2.35 0.08 0.00 0.51 0.00 0.00 43.02 41.26 1pyf s PHE 157 CO 0.00 0.55 1.13 -1.54 0.70 0.00 0.00 175.22 176.07 1pyf s SER 158 N -1.35 4.40 0.28 1.36 1.04 -1.26 -4.77 113.70 113.39 1pyf s SER 158 Ca 0.30 1.02 -0.03 0.00 0.48 0.00 0.00 55.95 57.72 1pyf s SER 158 Cb -0.17 -1.65 0.38 0.00 0.10 0.00 0.00 66.02 64.69 1pyf s SER 158 CO 0.17 -1.99 1.93 0.25 0.98 0.00 0.00 173.24 174.58 1pyf h LEU 159 N -1.11 1.03 -0.78 2.42 5.85 -1.98 0.16 115.31 120.90 1pyf h LEU 159 Ca -0.47 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.13 1pyf h LEU 159 Cb 1.30 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1pyf h LEU 159 CO 0.63 0.72 -0.14 -0.08 -0.34 0.00 0.00 178.44 179.23 1pyf h GLU 160 N 1.21 0.78 -0.44 1.25 4.81 -1.99 -1.27 114.58 118.92 1pyf h GLU 160 Ca 0.36 -0.27 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1pyf h GLU 160 Cb -0.04 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1pyf h GLU 160 CO -0.10 0.88 -0.28 1.96 -0.73 0.00 0.00 179.01 180.74 1pyf h GLN 161 N 0.70 0.96 -0.42 1.92 4.20 -1.74 -2.01 115.11 118.72 1pyf h GLN 161 Ca 0.11 -0.45 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 1pyf h GLN 161 Cb 0.63 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 1pyf h GLN 161 CO 0.04 1.11 0.26 1.25 -0.67 0.00 0.00 178.83 180.83 1pyf h LEU 162 N 0.81 0.50 -1.02 1.46 5.85 -0.75 -0.18 115.31 121.99 1pyf h LEU 162 Ca 0.09 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1pyf h LEU 162 Cb 0.86 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1pyf h LEU 162 CO 0.08 0.40 0.21 0.11 -0.34 0.00 0.00 178.44 178.90 1pyf h LYS 163 N 0.56 0.91 -0.29 1.25 1.57 -1.04 0.19 116.57 119.74 1pyf h LYS 163 Ca 0.15 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 1pyf h LYS 163 Cb -0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1pyf h LYS 163 CO -0.03 0.77 -0.04 1.49 -0.57 0.00 0.00 179.45 181.07 1pyf h GLU 164 N 0.89 0.53 -0.15 3.15 4.81 -1.06 -2.68 114.58 120.06 1pyf h GLU 164 Ca 0.20 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1pyf h GLU 164 Cb 0.23 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1pyf h GLU 164 CO -0.01 0.72 0.04 0.00 -0.73 0.00 0.00 179.01 179.02 1pyf h ALA 165 N 0.80 1.78 -0.55 2.92 0.00 -0.53 -1.41 119.26 122.26 1pyf h ALA 165 Ca 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pyf h ALA 165 Cb 0.50 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1pyf h ALA 165 CO 0.02 0.18 0.00 -1.71 0.00 0.00 0.00 179.25 177.74 1pyf n ASN 166 N -4.44 4.97 -0.30 0.00 5.15 0.01 -4.56 115.26 116.10 1pyf n ASN 166 Ca -0.01 -2.68 0.12 0.00 -0.60 0.00 0.00 54.58 51.42 1pyf n ASN 166 Cb 0.13 -0.63 0.28 0.00 -0.53 0.00 0.00 39.78 39.03 1pyf n ASN 166 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1pyf h LYS 167 N 3.68 0.18 -0.62 1.20 3.64 -0.92 0.53 116.57 124.27 1pyf h LYS 167 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1pyf h LYS 167 Cb 1.66 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 1pyf h LYS 167 CO 0.36 0.12 0.00 -0.25 -2.27 0.00 0.00 179.45 177.41 1pyf n ASP 168 N -5.25 4.58 -0.83 4.20 8.00 -1.26 -4.96 116.55 121.04 1pyf n ASP 168 Ca 0.21 -2.42 -0.09 0.00 0.71 0.00 0.00 54.79 53.19 1pyf n ASP 168 Cb 0.67 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 41.18 1pyf n ASP 168 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pyf n GLY 169 N 1.05 0.79 0.11 0.44 0.00 0.19 -4.94 105.19 102.82 1pyf n GLY 169 Ca 0.25 -0.57 0.13 0.00 0.00 0.00 0.00 46.02 45.82 1pyf n GLY 169 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pyf n LEU 170 N -1.16 0.69 -4.68 0.99 4.77 -1.26 -4.87 117.00 111.47 1pyf n LEU 170 Ca -0.10 -0.08 -0.42 0.00 -0.03 0.00 0.00 56.01 55.38 1pyf n LEU 170 Cb 0.39 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1pyf n LEU 170 CO 0.14 0.14 0.68 -0.69 -1.33 0.00 0.00 177.39 176.33 1pyf s VAL 171 N -2.75 4.85 -0.11 4.08 1.01 -1.26 -4.50 120.40 121.73 1pyf s VAL 171 Ca 0.18 1.82 0.16 0.00 0.00 0.00 0.00 61.98 64.14 1pyf s VAL 171 Cb 0.19 -4.22 -0.23 0.00 0.00 0.00 0.00 36.38 32.12 1pyf s VAL 171 CO 0.60 0.04 0.19 0.47 0.00 0.00 0.00 175.10 176.40 1pyf n ASP 172 N 4.97 0.93 -3.89 3.32 8.00 -0.11 -4.82 116.55 124.94 1pyf n ASP 172 Ca 0.06 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.45 1pyf n ASP 172 Cb 0.49 1.27 -0.13 0.00 -0.02 0.00 0.00 41.12 42.73 1pyf n ASP 172 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pyf s VAL 173 N -2.73 0.03 -0.08 2.53 1.01 -1.18 -1.06 120.40 118.92 1pyf s VAL 173 Ca -0.07 -0.25 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1pyf s VAL 173 Cb 0.07 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.35 1pyf s VAL 173 CO 0.70 -0.14 -0.16 -0.22 0.00 0.00 0.00 175.10 175.29 1pyf s LEU 174 N -0.41 1.78 -0.17 3.92 2.96 0.21 -1.82 118.68 125.15 1pyf s LEU 174 Ca -0.05 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 53.44 1pyf s LEU 174 Cb -0.03 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 1pyf s LEU 174 CO -0.00 0.07 -0.02 -1.58 -1.32 0.00 0.00 176.35 173.50 1pyf s GLN 175 N 0.58 3.65 0.15 1.98 0.74 -0.57 -0.91 119.66 125.29 1pyf s GLN 175 Ca -0.16 -0.52 -0.16 0.00 0.05 0.00 0.00 55.36 54.57 1pyf s GLN 175 Cb -0.16 -2.98 0.03 0.00 1.10 0.00 0.00 33.01 30.99 1pyf s GLN 175 CO 0.05 0.15 0.44 0.20 -0.55 0.00 0.00 175.29 175.58 1pyf s GLY 176 N 0.63 -0.15 0.17 2.59 0.00 -0.92 -2.70 107.32 106.94 1pyf s GLY 176 Ca -0.02 -0.17 -0.31 0.00 0.00 0.00 0.00 44.72 44.23 1pyf s GLY 176 CO 0.02 -0.33 1.36 1.85 0.00 0.00 0.00 173.10 176.00 1pyf s GLU 177 N -3.84 4.35 -0.28 2.90 2.12 -1.26 -1.27 118.70 121.41 1pyf s GLU 177 Ca 0.06 2.09 -0.18 0.00 0.36 0.00 0.00 54.97 57.30 1pyf s GLU 177 Cb 0.01 -3.21 0.11 0.00 0.26 0.00 0.00 34.13 31.31 1pyf s GLU 177 CO -0.08 -0.35 0.87 -0.47 -0.54 0.00 0.00 175.26 174.70 1pyf s TYR 178 N 0.51 -0.73 0.15 5.30 5.04 -1.15 -4.69 117.35 121.78 1pyf s TYR 178 Ca 0.60 1.53 -0.24 0.00 -2.44 0.00 0.00 57.07 56.51 1pyf s TYR 178 Cb -0.37 0.43 0.07 0.00 0.35 0.00 0.00 41.96 42.45 1pyf s TYR 178 CO 0.35 -0.36 1.02 0.54 -1.34 0.00 0.00 175.55 175.76 1pyf s ASN 179 N 1.17 -0.10 0.45 4.32 2.20 -1.08 -4.23 114.94 117.68 1pyf s ASN 179 Ca -0.07 -0.48 0.31 0.00 -0.94 0.00 0.00 52.86 51.69 1pyf s ASN 179 Cb -0.04 0.46 1.60 0.00 -2.00 0.00 0.00 41.25 41.26 1pyf s ASN 179 CO -0.14 -0.88 1.94 -0.07 -2.94 0.00 0.00 177.10 175.02 1pyf h LEU 180 N 2.00 0.00 -0.47 3.54 3.38 -1.93 -1.56 115.31 120.27 1pyf h LEU 180 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1pyf h LEU 180 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1pyf h LEU 180 CO 0.29 0.00 -0.74 0.18 0.09 0.00 0.00 178.44 178.27 1pyf n LEU 181 N -2.62 1.46 -3.40 1.67 4.77 -1.26 -4.65 117.00 112.97 1pyf n LEU 181 Ca -0.01 -0.62 -0.27 0.00 -0.03 0.00 0.00 56.01 55.08 1pyf n LEU 181 Cb 0.10 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 1pyf n LEU 181 CO 0.16 0.31 -0.30 0.21 -1.33 0.00 0.00 177.39 176.44 1pyf s ASN 182 N -2.71 1.97 -0.21 -1.43 3.04 -0.59 -5.00 114.94 110.01 1pyf s ASN 182 Ca 0.13 -2.57 0.15 0.00 0.04 0.00 0.00 52.86 50.61 1pyf s ASN 182 Cb 0.17 -0.29 0.80 0.00 -1.54 0.00 0.00 41.25 40.38 1pyf s ASN 182 CO 0.71 -0.23 1.73 0.54 -3.04 0.00 0.00 177.10 176.81 1pyf n ARG 183 N 3.44 4.66 -0.24 0.43 1.74 -1.20 -2.62 116.66 122.86 1pyf n ARG 183 Ca 0.21 -3.12 0.19 0.00 -0.77 0.00 0.00 57.85 54.37 1pyf n ARG 183 Cb 0.43 -2.19 0.52 0.00 -1.02 0.00 0.00 32.46 30.19 1pyf n ARG 183 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1pyf h GLU 184 N 3.97 0.39 -0.12 5.56 5.08 -1.92 -1.49 114.58 126.06 1pyf h GLU 184 Ca 0.00 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1pyf h GLU 184 Cb 1.88 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 31.04 1pyf h GLU 184 CO 0.44 0.26 0.19 0.00 -1.00 0.00 0.00 179.01 178.90 1pyf h ALA 185 N 1.61 1.58 -0.19 3.43 0.00 -1.84 -0.70 119.26 123.16 1pyf h ALA 185 Ca 0.47 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 1pyf h ALA 185 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1pyf h ALA 185 CO -0.18 -0.25 -0.02 0.93 0.00 0.00 0.00 179.25 179.73 1pyf h GLU 186 N 0.00 0.27 0.07 0.00 5.08 -1.65 0.39 114.58 118.74 1pyf h GLU 186 Ca 0.06 -0.04 -0.29 0.00 -1.00 0.00 0.00 59.36 58.09 1pyf h GLU 186 Cb 0.44 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1pyf h GLU 186 CO -0.00 0.32 -1.48 0.87 -1.00 0.00 0.00 179.01 177.71 1pyf h LYS 187 N 0.27 0.15 0.00 2.33 6.56 -1.31 -3.40 116.57 121.17 1pyf h LYS 187 Ca 0.06 -0.25 0.00 0.00 -1.06 0.00 0.00 60.65 59.40 1pyf h LYS 187 Cb 0.22 0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 1pyf h LYS 187 CO 0.01 0.96 -0.31 0.25 -2.06 0.00 0.00 179.45 178.30 1pyf n THR 188 N -3.34 0.50 -0.04 -0.16 -2.24 -1.17 -4.74 114.28 103.09 1pyf n THR 188 Ca -0.14 0.36 -0.14 0.00 -2.27 0.00 0.00 64.05 61.86 1pyf n THR 188 Cb 1.02 -1.74 -0.09 0.00 -2.10 0.00 0.00 70.33 67.43 1pyf n THR 188 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1pyf h PHE 189 N -0.31 0.38 -0.53 4.78 0.04 -1.70 -3.36 116.94 116.25 1pyf h PHE 189 Ca 0.00 -0.15 0.10 0.00 2.80 0.00 0.00 57.97 60.72 1pyf h PHE 189 Cb 0.31 -0.06 -0.08 0.00 2.20 0.00 0.00 35.95 38.31 1pyf h PHE 189 CO -0.13 0.84 0.03 0.74 -0.60 0.00 0.00 178.31 179.19 1pyf h PHE 190 N -0.20 0.02 -0.90 -0.55 -1.00 -1.14 0.10 116.94 113.26 1pyf h PHE 190 Ca -0.01 0.04 0.05 0.00 2.81 0.00 0.00 57.97 60.86 1pyf h PHE 190 Cb 0.85 0.07 -0.06 0.00 3.61 0.00 0.00 35.95 40.42 1pyf h PHE 190 CO 0.12 -0.10 0.58 -1.35 -1.61 0.00 0.00 178.31 175.95 1pyf h PRO 191 N 0.15 1.06 -0.13 1.51 0.11 -1.76 -0.70 132.00 132.23 1pyf h PRO 191 Ca 0.27 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 1pyf h PRO 191 Cb 0.41 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 1pyf h PRO 191 CO -0.42 0.70 -0.10 -0.92 -0.21 0.00 0.00 178.00 177.04 1pyf h TYR 192 N 1.09 0.36 -0.44 0.65 5.03 -1.41 -1.91 116.97 120.33 1pyf h TYR 192 Ca 0.37 -0.10 -0.11 0.00 2.58 0.00 0.00 58.73 61.47 1pyf h TYR 192 Cb 0.08 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.26 1pyf h TYR 192 CO -0.02 0.68 -0.17 1.79 -1.32 0.00 0.00 178.16 179.13 1pyf h THR 193 N -0.06 1.27 -0.35 1.81 1.35 -0.72 -1.49 112.91 114.70 1pyf h THR 193 Ca 0.02 -1.27 -0.03 0.00 -0.55 0.00 0.00 66.41 64.58 1pyf h THR 193 Cb 0.61 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 1pyf h THR 193 CO 0.03 0.43 0.10 0.50 -0.25 0.00 0.00 175.52 176.33 1pyf h LYS 194 N 0.74 0.56 -0.85 4.72 3.64 -1.17 0.16 116.57 124.36 1pyf h LYS 194 Ca 0.11 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1pyf h LYS 194 Cb 0.68 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.38 1pyf h LYS 194 CO 0.05 0.59 0.56 1.49 -2.27 0.00 0.00 179.45 179.86 1pyf h GLU 195 N 0.42 1.08 -0.04 1.90 4.81 -1.13 -2.67 114.58 118.95 1pyf h GLU 195 Ca 0.11 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1pyf h GLU 195 Cb 0.27 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1pyf h GLU 195 CO -0.00 0.71 0.00 0.72 -0.73 0.00 0.00 179.01 179.71 1pyf n HIS 196 N -4.52 0.04 -3.57 0.92 8.25 -0.58 -4.94 115.22 110.81 1pyf n HIS 196 Ca 0.10 -0.02 -0.23 0.00 -0.26 0.00 0.00 57.72 57.31 1pyf n HIS 196 Cb 0.05 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.24 1pyf n HIS 196 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1pyf n ASN 197 N 0.19 -5.25 -4.69 0.41 5.15 0.38 -4.83 115.26 106.63 1pyf n ASN 197 Ca 0.19 -0.57 -0.38 0.00 -0.60 0.00 0.00 54.58 53.22 1pyf n ASN 197 Cb 0.35 -5.00 -0.07 0.00 -0.53 0.00 0.00 39.78 34.53 1pyf n ASN 197 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1pyf s ILE 198 N -3.33 5.23 0.18 -1.44 1.01 -0.15 -0.81 121.20 121.88 1pyf s ILE 198 Ca 0.45 0.68 -0.30 0.00 0.00 0.00 0.00 60.65 61.48 1pyf s ILE 198 Cb -0.20 -3.71 -0.08 0.00 0.01 0.00 0.00 42.46 38.48 1pyf s ILE 198 CO 0.74 0.29 1.20 -0.55 0.00 0.00 0.00 174.94 176.62 1pyf s SER 199 N 0.87 7.09 -0.27 3.58 0.15 -0.23 -4.54 113.70 120.36 1pyf s SER 199 Ca 0.19 2.22 -0.08 0.00 0.70 0.00 0.00 55.95 58.98 1pyf s SER 199 Cb -0.14 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.54 1pyf s SER 199 CO 0.07 -0.38 0.09 0.12 1.20 0.00 0.00 173.24 174.34 1pyf s PHE 200 N 0.01 3.11 -0.24 3.44 2.19 -0.80 -0.62 117.98 125.07 1pyf s PHE 200 Ca 0.53 -0.52 -0.05 0.00 0.33 0.00 0.00 56.93 57.22 1pyf s PHE 200 Cb -0.32 -2.26 -0.00 0.00 -1.31 0.00 0.00 43.02 39.12 1pyf s PHE 200 CO 0.36 -0.41 -0.00 0.42 1.83 0.00 0.00 175.22 177.42 1pyf s ILE 201 N 1.60 3.59 0.47 3.12 1.01 -0.08 -4.31 121.20 126.59 1pyf s ILE 201 Ca 0.06 -0.55 -0.21 0.00 0.00 0.00 0.00 60.65 59.95 1pyf s ILE 201 Cb -0.16 -2.71 -0.09 0.00 0.01 0.00 0.00 42.46 39.51 1pyf s ILE 201 CO 0.04 0.31 1.04 -2.16 0.00 0.00 0.00 174.94 174.16 1pyf s PRO 202 N 1.49 3.89 0.27 2.79 0.05 -1.26 -2.17 135.00 140.06 1pyf s PRO 202 Ca 0.05 1.37 0.11 0.00 0.05 0.00 0.00 61.00 62.58 1pyf s PRO 202 Cb -0.15 -2.18 -0.05 0.00 0.05 0.00 0.00 34.50 32.17 1pyf s PRO 202 CO -0.01 -0.36 -0.14 1.52 0.05 0.00 0.00 177.00 178.06 1pyf s TYR 203 N -1.93 2.42 -1.26 0.56 -0.85 -0.39 -4.67 117.35 111.23 1pyf s TYR 203 Ca 0.65 -0.30 -0.06 0.00 -0.52 0.00 0.00 57.07 56.85 1pyf s TYR 203 Cb -0.17 -1.06 0.01 0.00 0.38 0.00 0.00 41.96 41.11 1pyf s TYR 203 CO 0.21 0.68 1.08 1.19 -1.52 0.00 0.00 175.55 177.19 1pyf n PHE 204 N -0.67 -2.56 0.28 -3.49 3.72 -1.26 -2.94 117.46 110.54 1pyf n PHE 204 Ca -0.06 0.96 0.13 0.00 -0.05 0.00 0.00 57.45 58.43 1pyf n PHE 204 Cb 0.59 -4.93 0.81 0.00 -0.94 0.00 0.00 39.48 35.02 1pyf n PHE 204 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1pyf h PRO 205 N -2.35 0.00 -0.22 -1.08 0.13 -1.83 -3.07 132.00 123.58 1pyf h PRO 205 Ca -0.56 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1pyf h PRO 205 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1pyf h PRO 205 CO 0.52 0.05 0.00 1.28 -0.23 0.00 0.00 178.00 179.62 1pyf n LEU 206 N -3.85 2.53 -3.63 1.56 4.77 -1.26 -4.62 117.00 112.50 1pyf n LEU 206 Ca -0.03 -1.81 -0.28 0.00 -0.03 0.00 0.00 56.01 53.87 1pyf n LEU 206 Cb 0.14 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1pyf n LEU 206 CO 0.29 0.61 -0.05 0.52 -1.33 0.00 0.00 177.39 177.44 1pyf n VAL 207 N 0.32 -5.97 -4.06 4.08 0.31 -1.16 -1.25 118.33 110.60 1pyf n VAL 207 Ca 0.08 -0.76 -0.31 0.00 -0.01 0.00 0.00 64.34 63.34 1pyf n VAL 207 Cb 0.35 -4.42 -0.01 0.00 -0.91 0.00 0.00 33.84 28.85 1pyf n VAL 207 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1pyf n SER 208 N -2.55 -2.67 0.00 4.52 7.64 -1.26 -1.11 113.62 118.18 1pyf n SER 208 Ca -0.11 -0.95 0.00 0.00 1.01 0.00 0.00 58.87 58.82 1pyf n SER 208 Cb 0.59 -3.13 0.00 0.00 -1.01 0.00 0.00 64.21 60.66 1pyf n SER 208 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pyf n GLY 209 N -1.64 2.48 0.21 0.23 0.00 -0.83 -4.92 105.19 100.72 1pyf n GLY 209 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 1pyf n GLY 209 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1pyf h LEU 210 N 0.00 0.38 0.00 0.99 6.46 -0.49 -1.08 115.31 121.57 1pyf h LEU 210 Ca 0.00 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1pyf h LEU 210 Cb 0.00 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1pyf h LEU 210 CO 0.00 0.26 0.00 0.18 -0.62 0.00 0.00 178.44 178.26 1pyf n LEU 211 N -4.88 0.00 -0.64 2.25 4.77 -0.38 -2.78 117.00 115.35 1pyf n LEU 211 Ca 0.04 0.07 0.11 0.00 -0.03 0.00 0.00 56.01 56.21 1pyf n LEU 211 Cb 0.13 -0.07 0.36 0.00 -2.33 0.00 0.00 43.42 41.50 1pyf n LEU 211 CO 0.29 -0.01 0.77 0.00 -1.33 0.00 0.00 177.39 177.11 1pyf n ALA 212 N -1.07 2.51 -3.03 -1.18 0.00 -0.41 -4.26 120.51 113.06 1pyf n ALA 212 Ca 0.19 -0.58 -0.19 0.00 0.00 0.00 0.00 53.44 52.86 1pyf n ALA 212 Cb 0.13 -1.06 0.04 0.00 0.00 0.00 0.00 19.45 18.56 1pyf n ALA 212 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pyf n GLY 213 N 1.19 -0.34 0.13 0.00 0.00 -1.12 -4.26 105.19 100.79 1pyf n GLY 213 Ca 0.17 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1pyf n GLY 213 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pyf h LYS 214 N -1.47 0.00 -5.66 1.61 1.57 -1.79 -3.49 116.57 107.35 1pyf h LYS 214 Ca -0.46 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.70 1pyf h LYS 214 Cb 1.31 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.54 1pyf h LYS 214 CO 0.49 0.00 -0.44 0.71 -0.57 0.00 0.00 179.45 179.64 1pyf s TYR 215 N -3.30 2.01 0.34 -1.35 2.02 -1.26 -5.13 117.35 110.68 1pyf s TYR 215 Ca 0.02 -0.80 0.03 0.00 -0.37 0.00 0.00 57.07 55.95 1pyf s TYR 215 Cb 0.09 -1.82 -0.05 0.00 -0.40 0.00 0.00 41.96 39.78 1pyf s TYR 215 CO 0.75 -0.02 0.08 0.95 -1.57 0.00 0.00 175.55 175.74 1pyf s THR 216 N -2.76 1.00 -1.09 -0.71 -4.23 -1.26 -5.02 115.64 101.58 1pyf s THR 216 Ca 0.26 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.91 1pyf s THR 216 Cb 0.01 -2.68 0.14 0.00 1.34 0.00 0.00 72.50 71.31 1pyf s THR 216 CO 0.15 0.00 1.42 -1.84 -0.54 0.00 0.00 174.62 173.81 1pyf n GLU 217 N -0.72 0.04 0.00 3.99 0.28 -1.26 -1.90 120.64 121.07 1pyf n GLU 217 Ca -0.03 0.25 0.12 0.00 -0.16 0.00 0.00 57.16 57.34 1pyf n GLU 217 Cb 0.66 -1.50 0.20 0.00 1.43 0.00 0.00 31.44 32.23 1pyf n GLU 217 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pyf n ASP 218 N -1.46 2.17 -4.77 -1.84 8.00 -1.26 -4.92 116.55 112.48 1pyf n ASP 218 Ca 0.04 -1.62 -0.40 0.00 0.71 0.00 0.00 54.79 53.52 1pyf n ASP 218 Cb 0.15 0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.39 1pyf n ASP 218 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1pyf s THR 219 N -2.19 2.33 0.10 -3.53 2.01 -0.80 -5.03 115.64 108.53 1pyf s THR 219 Ca 0.27 0.31 0.01 0.00 0.31 0.00 0.00 61.69 62.59 1pyf s THR 219 Cb 0.20 -3.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 1pyf s THR 219 CO 0.41 0.05 -0.06 0.42 -0.69 0.00 0.00 174.62 174.75 1pyf s THR 220 N -1.21 0.62 0.08 -0.82 -4.23 -1.26 -4.97 115.64 103.85 1pyf s THR 220 Ca 0.57 -1.92 0.08 0.00 -1.18 0.00 0.00 61.69 59.24 1pyf s THR 220 Cb -0.42 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.70 1pyf s THR 220 CO 0.54 -0.87 -0.21 -0.36 -0.54 0.00 0.00 174.62 173.18 1pyf s PHE 221 N -3.67 1.85 0.54 3.99 0.08 -1.26 -5.12 117.98 114.39 1pyf s PHE 221 Ca 0.12 -0.40 -0.20 0.00 0.12 0.00 0.00 56.93 56.57 1pyf s PHE 221 Cb 0.06 -1.04 -0.08 0.00 -0.57 0.00 0.00 43.02 41.39 1pyf s PHE 221 CO -0.05 0.18 0.76 -2.30 -0.10 0.00 0.00 175.22 173.71 1pyf n PRO 222 N 1.32 0.79 -1.69 0.24 -0.02 -1.26 -4.83 135.00 129.55 1pyf n PRO 222 Ca -0.19 0.30 -0.40 0.00 -2.02 0.00 0.00 63.50 61.19 1pyf n PRO 222 Cb 0.53 -1.91 0.02 0.00 -0.02 0.00 0.00 33.50 32.13 1pyf n PRO 222 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1pyf n GLU 223 N -0.31 1.77 -0.24 -0.52 -0.58 -1.26 -1.34 120.64 118.16 1pyf n GLU 223 Ca 0.12 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.50 1pyf n GLU 223 Cb 0.45 -2.36 0.00 0.00 -0.57 0.00 0.00 31.44 28.96 1pyf n GLU 223 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pyf n GLY 224 N 0.87 1.54 3.70 0.62 0.00 -1.26 -5.01 105.19 105.64 1pyf n GLY 224 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1pyf n GLY 224 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pyf s ASP 225 N -3.19 6.97 0.42 1.61 -1.08 -0.45 -4.92 116.67 116.02 1pyf s ASP 225 Ca 0.00 2.00 0.14 0.00 -0.52 0.00 0.00 52.55 54.17 1pyf s ASP 225 Cb 0.00 -2.57 1.00 0.00 -1.46 0.00 0.00 42.92 39.90 1pyf s ASP 225 CO 0.00 -0.61 1.93 -0.07 0.52 0.00 0.00 175.17 176.94 1pyf h LEU 226 N 7.84 0.43 -1.24 -1.34 3.38 -1.95 -1.86 115.31 120.57 1pyf h LEU 226 Ca -0.38 0.02 0.12 0.00 0.09 0.00 0.00 57.88 57.73 1pyf h LEU 226 Cb 1.18 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.80 1pyf h LEU 226 CO 0.87 0.24 0.57 0.03 0.09 0.00 0.00 178.44 180.24 1pyf h ARG 227 N 0.47 0.77 -0.03 1.13 3.08 -1.96 -1.20 114.38 116.63 1pyf h ARG 227 Ca 0.35 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.36 1pyf h ARG 227 Cb 0.71 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 1pyf h ARG 227 CO -0.11 0.51 0.12 -0.91 -1.07 0.00 0.00 179.97 178.51 1pyf h ASN 228 N 0.79 0.00 0.66 7.04 2.35 -1.70 -2.50 115.58 122.22 1pyf h ASN 228 Ca 0.43 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.91 1pyf h ASN 228 Cb 0.55 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1pyf h ASN 228 CO -0.19 0.00 -1.30 -0.08 -1.65 0.00 0.00 177.43 174.21 1pyf h GLU 229 N 0.00 0.18 -6.78 0.81 4.22 -1.37 -3.47 114.58 108.16 1pyf h GLU 229 Ca 0.02 -0.31 -0.51 0.00 0.08 0.00 0.00 59.36 58.64 1pyf h GLU 229 Cb 0.26 0.12 0.02 0.00 0.50 0.00 0.00 28.75 29.64 1pyf h GLU 229 CO -0.00 1.09 0.50 -0.65 -2.18 0.00 0.00 179.01 177.77 1pyf s GLN 230 N -2.65 4.59 0.42 1.92 -0.21 -0.94 -4.96 119.66 117.82 1pyf s GLN 230 Ca -0.04 1.84 0.18 0.00 0.02 0.00 0.00 55.36 57.36 1pyf s GLN 230 Cb 0.08 -3.19 0.93 0.00 1.00 0.00 0.00 33.01 31.83 1pyf s GLN 230 CO 0.86 0.13 1.89 1.49 -2.12 0.00 0.00 175.29 177.54 1pyf h GLU 231 N 4.06 0.00 0.00 2.91 4.81 -1.90 -2.03 114.58 122.42 1pyf h GLU 231 Ca -0.46 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1pyf h GLU 231 Cb 1.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 1pyf h GLU 231 CO 0.68 0.29 -0.03 0.45 -0.73 0.00 0.00 179.01 179.66 1pyf h HIS 232 N 0.00 0.00 -0.64 0.92 3.86 -1.93 -2.25 115.15 115.10 1pyf h HIS 232 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1pyf h HIS 232 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1pyf h HIS 232 CO 0.00 0.03 0.00 1.19 0.86 0.00 0.00 177.93 180.01 1pyf n PHE 233 N -3.51 0.85 -4.41 2.45 3.01 -0.76 -3.58 117.46 111.50 1pyf n PHE 233 Ca -0.02 -0.43 -0.29 0.00 1.01 0.00 0.00 57.45 57.72 1pyf n PHE 233 Cb 0.14 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.49 1pyf n PHE 233 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1pyf s LYS 234 N -1.15 1.71 2.69 -1.08 1.02 -0.85 -4.80 119.74 117.28 1pyf s LYS 234 Ca 0.46 -1.20 0.00 0.00 0.02 0.00 0.00 55.97 55.25 1pyf s LYS 234 Cb 0.25 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.50 1pyf s LYS 234 CO 0.33 0.48 0.00 0.41 -0.92 0.00 0.00 175.35 175.65 1pyf n GLY 235 N 0.99 1.87 0.23 -3.33 0.00 -1.26 -2.13 105.19 101.56 1pyf n GLY 235 Ca -0.16 -0.37 0.10 0.00 0.00 0.00 0.00 46.02 45.58 1pyf n GLY 235 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pyf h GLU 236 N 0.00 0.00 -0.21 1.61 4.39 -1.98 -2.94 114.58 115.45 1pyf h GLU 236 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1pyf h GLU 236 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1pyf h GLU 236 CO 0.00 0.22 0.09 -0.09 -1.16 0.00 0.00 179.01 178.07 1pyf h ARG 237 N 0.00 0.32 -0.23 2.33 2.43 -1.86 0.14 114.38 117.51 1pyf h ARG 237 Ca -0.00 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.14 1pyf h ARG 237 Cb 0.64 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1pyf h ARG 237 CO 0.03 0.37 0.07 0.35 -1.51 0.00 0.00 179.97 179.28 1pyf h PHE 238 N 0.20 0.12 -0.63 2.20 3.57 -1.25 0.19 116.94 121.34 1pyf h PHE 238 Ca 0.07 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.53 1pyf h PHE 238 Cb 0.17 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1pyf h PHE 238 CO -0.01 0.05 0.18 0.87 -2.23 0.00 0.00 178.31 177.18 1pyf h LYS 239 N 0.17 0.96 -0.51 1.11 1.57 -1.41 -0.17 116.57 118.29 1pyf h LYS 239 Ca 0.10 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1pyf h LYS 239 Cb 0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1pyf h LYS 239 CO -0.11 0.83 0.08 0.93 -0.57 0.00 0.00 179.45 180.61 1pyf h GLU 240 N 0.93 0.84 -0.58 3.15 4.39 -0.26 -1.79 114.58 121.25 1pyf h GLU 240 Ca 0.20 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.70 1pyf h GLU 240 Cb 0.28 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 1pyf h GLU 240 CO -0.01 0.83 0.36 -0.91 -1.16 0.00 0.00 179.01 178.13 1pyf h ASN 241 N 0.72 0.61 -0.50 1.42 2.35 -0.00 -2.20 115.58 117.98 1pyf h ASN 241 Ca 0.15 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1pyf h ASN 241 Cb 0.40 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 1pyf h ASN 241 CO 0.01 0.43 0.32 0.40 -1.65 0.00 0.00 177.43 176.95 1pyf h ILE 242 N 0.73 1.13 -0.85 2.81 1.08 -0.80 -1.82 117.51 119.79 1pyf h ILE 242 Ca 0.22 -0.26 0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1pyf h ILE 242 Cb -0.02 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 34.10 1pyf h ILE 242 CO -0.08 0.13 0.55 0.03 -0.69 0.00 0.00 178.15 178.10 1pyf h ARG 243 N 0.67 1.13 -0.33 2.37 3.08 -0.93 -1.48 114.38 118.89 1pyf h ARG 243 Ca 0.18 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1pyf h ARG 243 Cb -0.06 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.73 1pyf h ARG 243 CO -0.04 0.76 -0.13 0.87 -1.07 0.00 0.00 179.97 180.36 1pyf h LYS 244 N 1.16 0.67 -0.94 0.04 1.57 -1.26 -3.02 116.57 114.80 1pyf h LYS 244 Ca 0.31 -0.28 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1pyf h LYS 244 Cb -0.12 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.12 1pyf h LYS 244 CO -0.07 0.87 0.62 0.28 -0.57 0.00 0.00 179.45 180.58 1pyf h VAL 245 N 0.44 1.20 0.00 0.50 2.07 -1.10 -1.81 116.25 117.56 1pyf h VAL 245 Ca 0.08 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1pyf h VAL 245 Cb 0.65 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1pyf h VAL 245 CO 0.04 0.22 -0.14 0.78 0.02 0.00 0.00 177.57 178.49 1pyf h ASN 246 N 1.22 0.00 0.32 0.57 2.35 -1.20 -1.01 115.58 117.84 1pyf h ASN 246 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1pyf h ASN 246 Cb -0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.30 1pyf h ASN 246 CO -0.09 0.14 0.00 0.29 -1.65 0.00 0.00 177.43 176.12 1pyf n LYS 247 N -3.55 0.20 0.08 0.81 5.02 -0.68 -1.57 118.16 118.46 1pyf n LYS 247 Ca -0.01 0.15 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 1pyf n LYS 247 Cb 0.29 -1.50 0.28 0.00 -0.02 0.00 0.00 35.03 34.07 1pyf n LYS 247 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1pyf n LEU 248 N -1.31 0.75 -0.35 -0.35 4.77 -0.38 -4.32 117.00 115.82 1pyf n LEU 248 Ca 0.07 0.38 0.05 0.00 -0.03 0.00 0.00 56.01 56.48 1pyf n LEU 248 Cb 0.13 -0.24 0.20 0.00 -2.33 0.00 0.00 43.42 41.18 1pyf n LEU 248 CO 0.12 -0.11 1.22 0.00 -1.33 0.00 0.00 177.39 177.29 1pyf h ALA 249 N 2.52 1.40 -0.04 -1.18 0.00 -1.44 -2.02 119.26 118.51 1pyf h ALA 249 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1pyf h ALA 249 Cb 0.74 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1pyf h ALA 249 CO 0.00 0.25 -0.28 -1.35 0.00 0.00 0.00 179.25 177.87 1pyf h PRO 250 N 1.00 0.07 -0.14 0.00 0.11 -1.82 -0.51 132.00 130.70 1pyf h PRO 250 Ca 0.46 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 66.40 1pyf h PRO 250 Cb 0.37 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.48 1pyf h PRO 250 CO -0.24 0.35 -0.49 0.82 -0.21 0.00 0.00 178.00 178.24 1pyf h ILE 251 N 0.06 1.34 -0.19 4.15 2.04 -1.68 -1.73 117.51 121.52 1pyf h ILE 251 Ca 0.01 -1.76 0.00 0.00 1.00 0.00 0.00 64.86 64.11 1pyf h ILE 251 Cb 0.53 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1pyf h ILE 251 CO 0.04 0.54 0.12 0.00 0.00 0.00 0.00 178.15 178.84 1pyf h ALA 252 N 0.53 0.24 -0.41 1.87 0.00 -1.05 -2.17 119.26 118.27 1pyf h ALA 252 Ca -0.02 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1pyf h ALA 252 Cb 1.11 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1pyf h ALA 252 CO 0.10 -0.27 0.10 0.93 0.00 0.00 0.00 179.25 180.12 1pyf h GLU 253 N 0.23 0.24 -0.82 0.00 4.39 -1.07 -1.10 114.58 116.46 1pyf h GLU 253 Ca 0.07 -0.01 0.12 0.00 0.34 0.00 0.00 59.36 59.87 1pyf h GLU 253 Cb 0.00 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.54 1pyf h GLU 253 CO -0.01 0.16 0.53 -0.22 -1.16 0.00 0.00 179.01 178.30 1pyf h LYS 254 N 0.24 0.65 -0.43 2.33 3.64 -1.11 -1.16 116.57 120.74 1pyf h LYS 254 Ca 0.19 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1pyf h LYS 254 Cb 0.22 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1pyf h LYS 254 CO -0.23 0.43 0.00 0.72 -2.27 0.00 0.00 179.45 178.10 1pyf n HIS 255 N -4.52 0.56 -3.82 1.91 8.25 -0.75 -4.96 115.22 111.90 1pyf n HIS 255 Ca 0.15 -0.28 -0.28 0.00 -0.26 0.00 0.00 57.72 57.05 1pyf n HIS 255 Cb 0.40 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.55 1pyf n HIS 255 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1pyf n ASN 256 N 1.06 -4.48 -1.04 0.41 3.02 -0.44 -4.98 115.26 108.81 1pyf n ASN 256 Ca 0.18 -0.74 0.00 0.00 -0.03 0.00 0.00 54.58 53.99 1pyf n ASN 256 Cb 0.48 -4.13 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 1pyf n ASN 256 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1pyf n VAL 257 N -4.67 0.00 -3.51 2.41 0.24 -0.82 -5.04 118.33 106.94 1pyf n VAL 257 Ca -0.02 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.07 1pyf n VAL 257 Cb 0.56 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.91 1pyf n VAL 257 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1pyf s ASP 258 N -0.95 5.06 0.17 -1.34 1.01 -1.26 -4.22 116.67 115.14 1pyf s ASP 258 Ca 0.00 -0.79 -0.17 0.00 0.71 0.00 0.00 52.55 52.30 1pyf s ASP 258 Cb 0.00 -0.37 0.10 0.00 1.01 0.00 0.00 42.92 43.65 1pyf s ASP 258 CO 0.00 -0.78 1.66 0.40 0.21 0.00 0.00 175.17 176.66 1pyf h ILE 259 N 0.88 0.58 -0.10 0.77 2.04 -1.90 -1.39 117.51 118.39 1pyf h ILE 259 Ca -0.40 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.49 1pyf h ILE 259 Cb 1.27 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1pyf h ILE 259 CO 0.55 0.00 0.08 1.55 0.00 0.00 0.00 178.15 180.33 1pyf h PRO 260 N -0.01 0.00 -0.30 2.37 0.13 -1.74 -0.48 132.00 131.97 1pyf h PRO 260 Ca 0.20 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.19 1pyf h PRO 260 Cb 0.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.43 1pyf h PRO 260 CO -0.42 0.00 -0.35 0.45 -0.23 0.00 0.00 178.00 177.44 1pyf h HIS 261 N 0.00 0.79 -0.46 1.56 3.86 -1.64 -0.45 115.15 118.81 1pyf h HIS 261 Ca 0.05 -0.22 -0.11 0.00 -1.16 0.00 0.00 60.37 58.94 1pyf h HIS 261 Cb 0.20 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 1pyf h HIS 261 CO 0.00 0.93 -0.12 0.82 0.86 0.00 0.00 177.93 180.42 1pyf h ILE 262 N 0.56 1.27 -0.11 2.45 1.08 -0.92 -1.22 117.51 120.62 1pyf h ILE 262 Ca 0.06 -1.25 -0.01 0.00 -0.39 0.00 0.00 64.86 63.26 1pyf h ILE 262 Cb 0.87 1.12 -0.00 0.00 -3.07 0.00 0.00 36.82 35.74 1pyf h ILE 262 CO 0.08 0.43 0.03 0.58 -0.69 0.00 0.00 178.15 178.58 1pyf h VAL 263 N 0.74 1.19 -0.86 1.67 2.07 -1.00 -1.50 116.25 118.56 1pyf h VAL 263 Ca 0.12 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1pyf h VAL 263 Cb 0.67 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1pyf h VAL 263 CO 0.05 0.17 0.46 -0.07 0.02 0.00 0.00 177.57 178.20 1pyf h LEU 264 N -0.02 1.08 -1.56 2.57 3.38 -1.10 -1.97 115.31 117.68 1pyf h LEU 264 Ca 0.03 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1pyf h LEU 264 Cb 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1pyf h LEU 264 CO -0.00 0.88 -0.09 0.00 0.09 0.00 0.00 178.44 179.32 1pyf h ALA 265 N 1.25 1.64 -0.45 1.53 0.00 -1.05 -1.80 119.26 120.38 1pyf h ALA 265 Ca 0.30 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1pyf h ALA 265 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1pyf h ALA 265 CO -0.05 0.27 -0.24 2.35 0.00 0.00 0.00 179.25 181.58 1pyf h TRP 266 N 0.17 1.07 -0.34 0.00 7.01 -0.54 -1.37 115.95 121.95 1pyf h TRP 266 Ca 0.04 -0.26 -0.02 0.00 2.11 0.00 0.00 58.89 60.75 1pyf h TRP 266 Cb 0.27 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1pyf h TRP 266 CO 0.00 1.07 0.13 1.88 -2.79 0.00 0.00 178.44 178.73 1pyf h TYR 267 N 0.80 0.52 0.00 2.65 0.05 -0.94 -2.59 116.97 117.46 1pyf h TYR 267 Ca 0.10 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1pyf h TYR 267 Cb 0.81 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 38.39 1pyf h TYR 267 CO 0.05 0.49 -0.07 -0.07 -1.05 0.00 0.00 178.16 177.51 1pyf h LEU 268 N 0.39 0.00 -0.92 3.88 3.38 -1.13 -1.65 115.31 119.27 1pyf h LEU 268 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1pyf h LEU 268 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1pyf h LEU 268 CO -0.01 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1pyf h ALA 269 N 1.93 1.00 -2.78 1.53 0.00 -0.84 -3.44 119.26 116.66 1pyf h ALA 269 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1pyf h ALA 269 Cb 0.18 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.03 1pyf h ALA 269 CO 0.01 0.00 0.76 1.03 0.00 0.00 0.00 179.25 181.04 1pyf s ARG 270 N -3.44 4.26 0.59 0.00 1.81 -0.62 -4.90 118.95 116.65 1pyf s ARG 270 Ca 0.04 2.33 0.29 0.00 -1.72 0.00 0.00 55.73 56.66 1pyf s ARG 270 Cb 0.09 -3.09 1.76 0.00 -0.45 0.00 0.00 34.95 33.26 1pyf s ARG 270 CO 0.49 -0.41 2.21 -1.35 -0.68 0.00 0.00 175.30 175.56 1pyf h PRO 271 N 4.73 0.00 0.00 3.54 0.11 -1.89 -2.70 132.00 135.79 1pyf h PRO 271 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1pyf h PRO 271 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1pyf h PRO 271 CO 0.76 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.94 1pyf n GLU 272 N -3.87 0.21 -4.53 1.05 4.71 -1.26 -4.80 120.64 112.15 1pyf n GLU 272 Ca -0.02 0.20 -0.33 0.00 -0.01 0.00 0.00 57.16 57.01 1pyf n GLU 272 Cb 0.15 -1.76 -0.16 0.00 -1.01 0.00 0.00 31.44 28.66 1pyf n GLU 272 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 1pyf s ILE 273 N -3.10 2.30 -0.10 -3.67 1.01 -1.02 -1.90 121.20 114.71 1pyf s ILE 273 Ca 0.10 -0.89 0.13 0.00 0.00 0.00 0.00 60.65 60.00 1pyf s ILE 273 Cb 0.13 -1.95 -0.19 0.00 0.01 0.00 0.00 42.46 40.46 1pyf s ILE 273 CO 0.56 0.53 0.13 0.47 0.00 0.00 0.00 174.94 176.64 1pyf n ASP 274 N 4.16 1.54 -3.84 3.58 8.00 -1.26 -4.68 116.55 124.05 1pyf n ASP 274 Ca -0.20 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.18 1pyf n ASP 274 Cb 0.51 1.10 -0.10 0.00 -0.02 0.00 0.00 41.12 42.62 1pyf n ASP 274 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1pyf s ILE 275 N -2.55 0.07 0.11 0.53 2.07 -1.26 -4.63 121.20 115.53 1pyf s ILE 275 Ca -0.07 -0.54 0.09 0.00 -1.41 0.00 0.00 60.65 58.72 1pyf s ILE 275 Cb 0.06 -0.46 -0.04 0.00 0.13 0.00 0.00 42.46 42.15 1pyf s ILE 275 CO 0.59 -0.30 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.36 1pyf s LEU 276 N -1.16 2.61 -0.58 8.50 1.43 -0.70 -4.62 118.68 124.17 1pyf s LEU 276 Ca -0.12 -0.58 0.06 0.00 -1.03 0.00 0.00 54.13 52.46 1pyf s LEU 276 Cb -0.06 -1.48 0.25 0.00 0.03 0.00 0.00 46.19 44.93 1pyf s LEU 276 CO 0.02 0.19 0.70 -0.38 0.23 0.00 0.00 176.35 177.10 1pyf n ILE 277 N 0.92 1.66 -1.50 -0.59 5.41 -1.26 -0.15 119.36 123.84 1pyf n ILE 277 Ca -0.16 -4.94 -0.32 0.00 1.00 0.00 0.00 62.75 58.32 1pyf n ILE 277 Cb 0.53 -2.07 0.07 0.00 -0.71 0.00 0.00 39.64 37.46 1pyf n ILE 277 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1pyf s PRO 278 N -2.18 2.45 0.62 0.38 0.04 -1.26 -4.37 135.00 130.68 1pyf s PRO 278 Ca 0.39 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1pyf s PRO 278 Cb 0.15 -1.91 0.07 0.00 0.04 0.00 0.00 34.50 32.86 1pyf s PRO 278 CO -0.03 -1.52 0.87 0.20 0.04 0.00 0.00 177.00 176.55 1pyf s GLY 279 N -2.76 1.79 -0.10 0.56 0.00 -1.26 -2.73 107.32 102.82 1pyf s GLY 279 Ca 0.66 -1.45 -0.30 0.00 0.00 0.00 0.00 44.72 43.63 1pyf s GLY 279 CO 0.47 -1.05 0.96 0.00 0.00 0.00 0.00 173.10 173.48 1pyf s ALA 280 N -2.94 -1.90 -0.10 3.20 0.00 -1.26 -4.79 121.76 113.98 1pyf s ALA 280 Ca 0.61 1.38 0.12 0.00 0.00 0.00 0.00 51.96 54.07 1pyf s ALA 280 Cb -0.09 -0.26 -0.18 0.00 0.00 0.00 0.00 23.12 22.60 1pyf s ALA 280 CO 0.41 -0.46 0.12 1.63 0.00 0.00 0.00 175.76 177.46 1pyf n LYS 281 N 0.35 1.46 -4.24 0.00 5.02 -1.26 -4.60 118.16 114.89 1pyf n LYS 281 Ca -0.09 -0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.02 1pyf n LYS 281 Cb 0.59 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 34.17 1pyf n LYS 281 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1pyf s ARG 282 N -2.51 1.02 0.35 1.97 0.52 -1.26 -4.64 118.95 114.41 1pyf s ARG 282 Ca -0.06 -1.44 0.07 0.00 -0.52 0.00 0.00 55.73 53.78 1pyf s ARG 282 Cb 0.05 -0.52 0.76 0.00 0.52 0.00 0.00 34.95 35.76 1pyf s ARG 282 CO 0.55 0.04 1.89 0.00 0.02 0.00 0.00 175.30 177.80 1pyf h ALA 283 N 2.81 1.76 -0.05 2.13 0.00 -1.87 -1.92 119.26 122.12 1pyf h ALA 283 Ca -0.36 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1pyf h ALA 283 Cb 1.19 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1pyf h ALA 283 CO 0.64 0.04 -0.31 0.38 0.00 0.00 0.00 179.25 180.00 1pyf h ASP 284 N 0.75 0.09 -0.20 0.00 2.03 -1.97 -1.91 116.42 115.21 1pyf h ASP 284 Ca 0.41 -0.03 -0.17 0.00 -0.73 0.00 0.00 57.03 56.51 1pyf h ASP 284 Cb 0.56 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.03 1pyf h ASP 284 CO -0.18 0.40 -0.53 1.56 -1.03 0.00 0.00 179.24 179.46 1pyf h GLN 285 N 0.08 0.79 -0.32 4.15 4.20 -1.76 -2.36 115.11 119.88 1pyf h GLN 285 Ca 0.01 -0.48 -0.07 0.00 0.06 0.00 0.00 58.65 58.17 1pyf h GLN 285 Cb 0.59 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1pyf h GLN 285 CO 0.04 1.11 -0.07 1.25 -0.67 0.00 0.00 178.83 180.49 1pyf h LEU 286 N 0.61 0.62 -1.21 1.46 7.12 -1.46 -2.62 115.31 119.83 1pyf h LEU 286 Ca 0.02 -0.36 0.09 0.00 0.13 0.00 0.00 57.88 57.76 1pyf h LEU 286 Cb 1.11 -0.17 -0.06 0.00 -0.53 0.00 0.00 40.66 41.01 1pyf h LEU 286 CO 0.11 0.84 0.57 0.40 -0.13 0.00 0.00 178.44 180.23 1pyf h ILE 287 N 0.40 0.99 -0.19 4.05 2.04 -1.29 0.15 117.51 123.66 1pyf h ILE 287 Ca 0.08 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.59 1pyf h ILE 287 Cb 0.56 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1pyf h ILE 287 CO 0.03 0.16 -0.09 -0.78 0.00 0.00 0.00 178.15 177.48 1pyf h ASP 288 N 0.89 0.27 0.75 1.72 3.58 -1.22 -2.68 116.42 119.74 1pyf h ASP 288 Ca 0.40 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1pyf h ASP 288 Cb 0.36 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1pyf h ASP 288 CO -0.16 0.40 -0.01 0.59 -2.88 0.00 0.00 179.24 177.18 1pyf n ASN 289 N -4.29 0.01 0.20 2.28 5.03 0.51 -3.33 115.26 115.66 1pyf n ASN 289 Ca -0.00 0.12 0.04 0.00 0.87 0.00 0.00 54.58 55.61 1pyf n ASN 289 Cb 0.25 -0.37 0.42 0.00 -1.02 0.00 0.00 39.78 39.06 1pyf n ASN 289 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 1pyf h ILE 290 N 0.01 1.18 -0.97 2.41 2.04 -1.16 -2.82 117.51 118.20 1pyf h ILE 290 Ca 0.00 -1.07 0.24 0.00 1.00 0.00 0.00 64.86 65.03 1pyf h ILE 290 Cb 0.38 1.58 -0.07 0.00 -0.74 0.00 0.00 36.82 37.97 1pyf h ILE 290 CO 0.00 0.30 0.65 0.11 0.00 0.00 0.00 178.15 179.21 1pyf h LYS 291 N 0.00 0.31 -0.95 2.37 1.57 -1.71 -1.55 116.57 116.61 1pyf h LYS 291 Ca -0.00 -0.02 0.24 0.00 -1.87 0.00 0.00 60.65 59.00 1pyf h LYS 291 Cb 0.56 -0.07 -0.13 0.00 0.08 0.00 0.00 32.23 32.67 1pyf h LYS 291 CO 0.04 0.21 0.49 1.15 -0.57 0.00 0.00 179.45 180.77 1pyf h THR 292 N 0.32 0.49 -0.01 -0.16 2.02 -1.73 -1.75 112.91 112.08 1pyf h THR 292 Ca 0.51 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.53 1pyf h THR 292 Cb 1.43 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 1pyf h THR 292 CO -0.18 0.09 0.01 0.00 0.37 0.00 0.00 175.52 175.81 1pyf h ALA 293 N 1.73 1.56 -0.01 6.16 0.00 -1.51 -2.07 119.26 125.12 1pyf h ALA 293 Ca 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.52 1pyf h ALA 293 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1pyf h ALA 293 CO -0.51 -0.01 -0.06 -0.25 0.00 0.00 0.00 179.25 178.41 1pyf n ASP 294 N -3.87 1.48 -4.72 0.00 8.00 -0.66 -4.89 116.55 111.89 1pyf n ASP 294 Ca -0.03 -1.40 -0.41 0.00 0.71 0.00 0.00 54.79 53.66 1pyf n ASP 294 Cb 0.09 0.03 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 1pyf n ASP 294 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pyf s VAL 295 N -2.11 4.83 -0.34 2.53 1.01 -0.78 -5.02 120.40 120.52 1pyf s VAL 295 Ca 0.34 1.94 0.04 0.00 0.00 0.00 0.00 61.98 64.30 1pyf s VAL 295 Cb 0.21 -4.26 0.10 0.00 0.00 0.00 0.00 36.38 32.42 1pyf s VAL 295 CO 0.37 0.21 0.05 -0.89 0.00 0.00 0.00 175.10 174.85 1pyf s THR 296 N 0.74 2.20 0.31 3.92 2.01 -1.26 -5.02 115.64 118.54 1pyf s THR 296 Ca 0.48 -2.28 -0.28 0.00 0.31 0.00 0.00 61.69 59.92 1pyf s THR 296 Cb -0.21 -2.62 -0.09 0.00 0.01 0.00 0.00 72.50 69.59 1pyf s THR 296 CO 0.26 -0.59 1.07 -0.76 -0.69 0.00 0.00 174.62 173.92 1pyf s LEU 297 N 0.95 4.44 0.83 4.42 1.43 -1.26 -5.04 118.68 124.44 1pyf s LEU 297 Ca 0.10 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.26 1pyf s LEU 297 Cb -0.19 -3.79 0.09 0.00 0.03 0.00 0.00 46.19 42.33 1pyf s LEU 297 CO -0.09 -0.23 1.16 -0.94 0.23 0.00 0.00 176.35 176.48 1pyf s SER 298 N -1.11 4.27 0.39 2.29 1.04 -1.26 -4.87 113.70 114.45 1pyf s SER 298 Ca 0.48 0.89 0.10 0.00 0.48 0.00 0.00 55.95 57.90 1pyf s SER 298 Cb -0.29 -1.45 0.78 0.00 0.10 0.00 0.00 66.02 65.17 1pyf s SER 298 CO 0.36 -2.07 1.91 1.56 0.98 0.00 0.00 173.24 175.99 1pyf h GLN 299 N -1.16 0.21 -0.21 4.02 1.08 -1.99 -1.73 115.11 115.33 1pyf h GLN 299 Ca -0.47 -0.05 -0.14 0.00 -1.45 0.00 0.00 58.65 56.54 1pyf h GLN 299 Cb 1.32 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.71 1pyf h GLN 299 CO 0.64 0.37 -0.45 0.93 -0.95 0.00 0.00 178.83 179.37 1pyf h GLU 300 N 0.20 0.52 -0.04 1.46 3.07 -1.99 -1.12 114.58 116.68 1pyf h GLU 300 Ca 0.04 -0.28 -0.00 0.00 -0.50 0.00 0.00 59.36 58.62 1pyf h GLU 300 Cb 0.40 0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1pyf h GLU 300 CO 0.02 0.86 0.01 -0.44 -1.40 0.00 0.00 179.01 178.07 1pyf h ASP 301 N 0.42 0.05 -0.34 1.42 3.32 -1.79 -1.86 116.42 117.64 1pyf h ASP 301 Ca 0.03 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 56.91 1pyf h ASP 301 Cb 0.95 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.45 1pyf h ASP 301 CO 0.08 0.24 0.14 0.40 -1.72 0.00 0.00 179.24 178.39 1pyf h ILE 302 N -0.14 0.94 -0.60 0.35 2.04 -1.25 -1.63 117.51 117.23 1pyf h ILE 302 Ca 0.01 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 1pyf h ILE 302 Cb 0.21 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.87 1pyf h ILE 302 CO -0.00 0.06 0.15 -1.28 0.00 0.00 0.00 178.15 177.07 1pyf h SER 303 N 0.30 0.91 -0.49 1.72 0.87 -1.20 -1.62 113.55 114.04 1pyf h SER 303 Ca 0.15 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1pyf h SER 303 Cb 0.10 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 1pyf h SER 303 CO -0.13 0.90 0.28 0.15 -0.53 0.00 0.00 176.83 177.50 1pyf h PHE 304 N 0.87 0.66 -0.61 2.24 3.57 -1.12 -0.91 116.94 121.64 1pyf h PHE 304 Ca 0.19 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 1pyf h PHE 304 Cb 0.35 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1pyf h PHE 304 CO 0.03 0.48 0.14 0.82 -2.23 0.00 0.00 178.31 177.55 1pyf h ILE 305 N 0.65 1.25 -0.46 1.41 2.04 -1.17 0.60 117.51 121.83 1pyf h ILE 305 Ca 0.17 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 65.16 1pyf h ILE 305 Cb 0.03 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 1pyf h ILE 305 CO -0.03 0.35 0.17 -0.78 0.00 0.00 0.00 178.15 177.86 1pyf h ASP 306 N 0.89 0.19 0.18 1.72 3.58 -0.97 -1.81 116.42 120.20 1pyf h ASP 306 Ca 0.19 0.05 -0.22 0.00 0.42 0.00 0.00 57.03 57.47 1pyf h ASP 306 Cb 0.37 0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.45 1pyf h ASP 306 CO 0.00 0.14 -0.89 0.11 -2.88 0.00 0.00 179.24 175.73 1pyf h LYS 307 N 0.35 0.52 -0.75 0.28 1.79 -0.81 -2.51 116.57 115.44 1pyf h LYS 307 Ca 0.22 -0.50 0.02 0.00 -2.18 0.00 0.00 60.65 58.20 1pyf h LYS 307 Cb 0.21 0.13 -0.04 0.00 -1.58 0.00 0.00 32.23 30.95 1pyf h LYS 307 CO -0.21 1.14 0.50 1.25 -1.08 0.00 0.00 179.45 181.04 1pyf h LEU 308 N 0.32 0.83 -3.67 2.94 5.85 -0.77 -2.20 115.31 118.60 1pyf h LEU 308 Ca -0.07 -0.02 -0.33 0.00 0.84 0.00 0.00 57.88 58.30 1pyf h LEU 308 Cb 1.51 -0.20 -0.20 0.00 0.37 0.00 0.00 40.66 42.14 1pyf h LEU 308 CO 0.16 0.58 0.29 0.49 -0.34 0.00 0.00 178.44 179.62 1pyf n PHE 309 N -4.44 2.10 -1.77 1.25 3.72 -0.69 -5.01 117.46 112.62 1pyf n PHE 309 Ca 0.09 -1.66 -0.40 0.00 -0.05 0.00 0.00 57.45 55.43 1pyf n PHE 309 Cb 0.08 -0.71 0.01 0.00 -0.94 0.00 0.00 39.48 37.92 1pyf n PHE 309 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1pyf n ALA 310 N -1.03 2.17 -1.71 4.37 0.00 -0.83 -4.90 120.51 118.58 1pyf n ALA 310 Ca 0.46 0.27 -0.43 0.00 0.00 0.00 0.00 53.44 53.74 1pyf n ALA 310 Cb 1.35 -2.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 1pyf n ALA 310 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1pyf n PRO 311 N -0.02 2.25 0.00 0.00 -0.02 -1.26 -5.09 135.00 130.86 1pyf n PRO 311 Ca 0.04 0.79 0.14 0.00 -2.02 0.00 0.00 63.50 62.45 1pyf n PRO 311 Cb 0.41 -2.42 0.57 0.00 -0.02 0.00 0.00 33.50 32.04 1pyf n PRO 311 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89