#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kyf n GLN 9 N 0.00 -3.98 -0.99 -0.52 1.13 -1.26 -4.93 117.38 106.83 3kyf n GLN 9 Ca 0.00 3.01 -0.30 0.00 -1.94 0.00 0.00 57.00 57.77 3kyf n GLN 9 Cb 0.00 -3.76 0.16 0.00 0.11 0.00 0.00 30.24 26.76 3kyf n GLN 9 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3kyf s PRO 10 N -0.95 0.85 0.74 -1.09 0.04 -1.26 -4.96 135.00 128.38 3kyf s PRO 10 Ca -0.01 0.97 -0.12 0.00 0.04 0.00 0.00 61.00 61.89 3kyf s PRO 10 Cb 0.00 -1.75 0.04 0.00 0.04 0.00 0.00 34.50 32.83 3kyf s PRO 10 CO 0.02 -2.56 1.10 -1.25 0.04 0.00 0.00 177.00 174.34 3kyf s PRO 11 N -4.79 2.44 0.42 0.56 0.04 -1.26 -4.98 135.00 127.42 3kyf s PRO 11 Ca 0.65 1.23 -0.24 0.00 0.04 0.00 0.00 61.00 62.68 3kyf s PRO 11 Cb -0.20 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.34 3kyf s PRO 11 CO 0.58 -1.51 1.12 0.15 0.04 0.00 0.00 177.00 177.38 3kyf s LYS 12 N -4.66 3.98 -0.35 4.56 1.02 0.16 -4.78 119.74 119.67 3kyf s LYS 12 Ca 0.63 1.68 -0.08 0.00 0.02 0.00 0.00 55.97 58.22 3kyf s LYS 12 Cb -0.18 -2.51 0.04 0.00 -0.52 0.00 0.00 37.83 34.65 3kyf s LYS 12 CO 0.51 -0.34 0.14 0.08 -0.92 0.00 0.00 175.35 174.82 3kyf s VAL 13 N -1.57 4.02 -0.17 3.17 1.01 -1.26 -0.86 120.40 124.74 3kyf s VAL 13 Ca 0.60 -1.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 3kyf s VAL 13 Cb -0.26 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3kyf s VAL 13 CO 0.32 -0.19 0.55 -0.76 0.00 0.00 0.00 175.10 175.02 3kyf s LEU 14 N 1.45 4.18 0.00 3.92 1.43 0.45 -4.95 118.68 125.16 3kyf s LEU 14 Ca -0.01 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 3kyf s LEU 14 Cb -0.19 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.25 3kyf s LEU 14 CO 0.04 -0.17 0.85 -1.54 0.23 0.00 0.00 176.35 175.76 3kyf n SER 15 N 4.58 1.42 -4.56 2.29 3.41 -1.26 -1.56 113.62 117.94 3kyf n SER 15 Ca -0.04 -1.70 -0.33 0.00 -0.26 0.00 0.00 58.87 56.53 3kyf n SER 15 Cb 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 3kyf n SER 15 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kyf s THR 16 N -0.70 3.52 0.31 6.66 -4.23 -1.26 -4.85 115.64 115.08 3kyf s THR 16 Ca 0.00 -0.62 0.07 0.00 -1.18 0.00 0.00 61.69 59.96 3kyf s THR 16 Cb 0.00 -2.45 0.30 0.00 1.34 0.00 0.00 72.50 71.70 3kyf s THR 16 CO 0.00 0.55 1.75 -0.65 -0.54 0.00 0.00 174.62 175.73 3kyf h PRO 17 N 5.09 0.65 0.16 3.99 0.11 -1.93 0.49 132.00 140.57 3kyf h PRO 17 Ca -0.48 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.60 3kyf h PRO 17 Cb 1.17 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 3kyf h PRO 17 CO 0.52 0.43 -0.18 1.25 -0.21 0.00 0.00 178.00 179.81 3kyf h LEU 18 N 0.67 -0.49 -0.07 2.35 5.85 -1.99 0.80 115.31 122.44 3kyf h LEU 18 Ca 0.61 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 59.36 3kyf h LEU 18 Cb 1.04 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 3kyf h LEU 18 CO -0.43 -0.27 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.06 3kyf h GLU 19 N -0.38 0.13 -0.21 1.25 5.08 -1.79 -2.09 114.58 116.57 3kyf h GLU 19 Ca 0.01 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3kyf h GLU 19 Cb 0.37 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 3kyf h GLU 19 CO -0.06 0.45 -0.20 0.82 -1.00 0.00 0.00 179.01 179.02 3kyf h ILE 20 N -0.20 0.47 -0.38 3.13 2.04 -0.88 -1.39 117.51 120.31 3kyf h ILE 20 Ca 0.02 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 3kyf h ILE 20 Cb 0.40 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3kyf h ILE 20 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.16 3kyf h ALA 21 N 0.86 1.29 -0.55 1.87 0.00 -0.86 -1.61 119.26 120.26 3kyf h ALA 21 Ca 0.12 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3kyf h ALA 21 Cb 0.40 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kyf h ALA 21 CO -0.33 0.48 -0.04 0.00 0.00 0.00 0.00 179.25 179.36 3kyf h ALA 22 N 1.43 0.89 -0.08 0.00 0.00 -0.77 -0.17 119.26 120.56 3kyf h ALA 22 Ca 0.12 -0.32 -0.21 0.00 0.00 0.00 0.00 54.91 54.50 3kyf h ALA 22 Cb 0.37 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kyf h ALA 22 CO 0.01 0.65 -0.82 -0.91 0.00 0.00 0.00 179.25 178.18 3kyf h ASN 23 N 0.89 0.66 -0.21 0.00 2.35 -1.02 -2.85 115.58 115.39 3kyf h ASN 23 Ca 0.15 -0.46 -0.07 0.00 -0.55 0.00 0.00 56.30 55.37 3kyf h ASN 23 Cb 0.58 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 3kyf h ASN 23 CO 0.03 1.24 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.91 3kyf h LEU 24 N 0.35 0.54 -0.90 1.61 3.38 -1.12 -2.28 115.31 116.90 3kyf h LEU 24 Ca -0.06 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.68 3kyf h LEU 24 Cb 1.43 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 3kyf h LEU 24 CO 0.15 0.66 -0.26 0.03 0.09 0.00 0.00 178.44 179.12 3kyf h ARG 25 N 0.53 0.51 -0.61 1.13 3.08 -0.96 -1.98 114.38 116.08 3kyf h ARG 25 Ca 0.10 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 3kyf h ARG 25 Cb 0.45 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.45 3kyf h ARG 25 CO 0.02 0.72 0.10 1.96 -1.07 0.00 0.00 179.97 181.71 3kyf h GLN 26 N 0.45 1.00 -0.56 0.04 4.20 -1.19 0.23 115.11 119.29 3kyf h GLN 26 Ca 0.06 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.46 3kyf h GLN 26 Cb 0.69 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 3kyf h GLN 26 CO 0.05 0.94 0.15 -0.07 -0.67 0.00 0.00 178.83 179.23 3kyf h LEU 27 N 0.91 0.79 0.57 1.46 3.38 -1.21 -2.03 115.31 119.18 3kyf h LEU 27 Ca 0.18 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3kyf h LEU 27 Cb 0.42 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.97 3kyf h LEU 27 CO 0.01 0.76 -0.27 -0.61 0.09 0.00 0.00 178.44 178.42 3kyf h GLN 28 N 0.82 -0.74 -0.00 1.13 4.15 -0.83 -0.33 115.11 119.31 3kyf h GLN 28 Ca 0.18 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.65 3kyf h GLN 28 Cb 0.28 0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 3kyf h GLN 28 CO -0.00 -0.44 0.00 0.93 -1.93 0.00 0.00 178.83 177.38 3kyf h GLU 29 N -1.12 0.00 -0.02 1.69 5.08 -0.54 -0.97 114.58 118.71 3kyf h GLU 29 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3kyf h GLU 29 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3kyf h GLU 29 CO 0.13 0.00 -0.22 0.43 -1.00 0.00 0.00 179.01 178.35 3kyf n SER 30 N -4.08 1.90 -3.83 1.42 7.64 -0.77 -4.95 113.62 110.95 3kyf n SER 30 Ca -0.03 -1.47 -0.28 0.00 1.01 0.00 0.00 58.87 58.10 3kyf n SER 30 Cb 0.09 0.19 0.04 0.00 -1.01 0.00 0.00 64.21 63.51 3kyf n SER 30 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 3kyf n HIS 31 N 0.18 -2.32 -2.27 1.43 -0.00 -0.37 -4.88 115.22 106.99 3kyf n HIS 31 Ca 0.13 0.91 -0.42 0.00 0.46 0.00 0.00 57.72 58.80 3kyf n HIS 31 Cb 0.45 -4.21 -0.03 0.00 -0.12 0.00 0.00 29.99 26.08 3kyf n HIS 31 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3kyf s ASP 32 N -3.50 6.89 0.36 0.26 1.01 -0.22 -4.97 116.67 116.49 3kyf s ASP 32 Ca 0.53 2.06 -0.28 0.00 0.71 0.00 0.00 52.55 55.57 3kyf s ASP 32 Cb -0.26 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.01 3kyf s ASP 32 CO 0.81 -0.70 1.34 -2.16 0.21 0.00 0.00 175.17 174.68 3kyf s PRO 33 N 2.38 4.20 0.11 8.23 0.04 -1.26 -4.61 135.00 144.10 3kyf s PRO 33 Ca 0.62 2.28 0.06 0.00 0.04 0.00 0.00 61.00 64.00 3kyf s PRO 33 Cb -0.30 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 3kyf s PRO 33 CO 0.26 -0.34 -0.04 -0.51 0.04 0.00 0.00 177.00 176.41 3kyf s LEU 34 N -2.02 3.27 -0.18 -3.56 1.43 -0.59 -4.19 118.68 112.84 3kyf s LEU 34 Ca 0.52 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.31 3kyf s LEU 34 Cb -0.41 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 43.80 3kyf s LEU 34 CO 0.54 0.16 -0.12 -0.63 0.23 0.00 0.00 176.35 176.53 3kyf s ILE 35 N -1.36 2.84 -0.19 -0.59 1.09 0.84 -2.47 121.20 121.37 3kyf s ILE 35 Ca 0.24 -0.70 -0.07 0.00 -1.10 0.00 0.00 60.65 59.03 3kyf s ILE 35 Cb -0.11 -2.23 -0.04 0.00 -1.06 0.00 0.00 42.46 39.02 3kyf s ILE 35 CO 0.17 0.49 0.05 -0.63 -0.10 0.00 0.00 174.94 174.92 3kyf s ILE 36 N 1.03 4.62 -0.21 2.92 1.01 0.52 -1.83 121.20 129.26 3kyf s ILE 36 Ca -0.01 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.56 3kyf s ILE 36 Cb -0.15 -3.09 0.04 0.00 0.01 0.00 0.00 42.46 39.28 3kyf s ILE 36 CO -0.02 0.45 -0.13 -0.89 0.00 0.00 0.00 174.94 174.35 3kyf s THR 37 N 0.53 1.86 0.30 2.92 2.01 -0.45 -1.39 115.64 121.42 3kyf s THR 37 Ca 0.02 -1.14 -0.27 0.00 0.31 0.00 0.00 61.69 60.61 3kyf s THR 37 Cb -0.13 -1.88 -0.10 0.00 0.01 0.00 0.00 72.50 70.40 3kyf s THR 37 CO 0.01 0.20 0.95 -0.36 -0.69 0.00 0.00 174.62 174.74 3kyf s PHE 38 N 1.30 3.76 -0.02 4.92 0.08 -1.26 -0.83 117.98 125.94 3kyf s PHE 38 Ca -0.02 1.81 -0.36 0.00 0.12 0.00 0.00 56.93 58.49 3kyf s PHE 38 Cb -0.16 -2.96 -0.14 0.00 -0.57 0.00 0.00 43.02 39.18 3kyf s PHE 38 CO -0.08 0.21 1.67 1.58 -0.10 0.00 0.00 175.22 178.50 3kyf n HIS 39 N 0.83 2.13 -3.15 0.36 -0.00 0.32 -2.02 115.22 113.68 3kyf n HIS 39 Ca 0.01 0.28 -0.21 0.00 -0.00 0.00 0.00 57.72 57.80 3kyf n HIS 39 Cb 0.49 -2.54 0.05 0.00 -0.00 0.00 0.00 29.99 27.99 3kyf n HIS 39 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 3kyf n ASP 40 N 4.74 -5.85 -3.64 0.26 2.03 -1.26 -4.96 116.55 107.86 3kyf n ASP 40 Ca 0.21 -0.35 -0.19 0.00 0.52 0.00 0.00 54.79 54.98 3kyf n ASP 40 Cb 0.25 -4.60 -0.16 0.00 -0.72 0.00 0.00 41.12 35.88 3kyf n ASP 40 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3kyf s ARG 41 N -5.82 0.02 0.12 -0.67 0.52 -0.86 -5.08 118.95 107.19 3kyf s ARG 41 Ca 0.37 0.36 -0.30 0.00 -0.52 0.00 0.00 55.73 55.64 3kyf s ARG 41 Cb -0.16 -0.70 -0.08 0.00 0.52 0.00 0.00 34.95 34.52 3kyf s ARG 41 CO 0.46 -0.41 1.59 0.77 0.02 0.00 0.00 175.30 177.72 3kyf h SER 42 N 8.39 -1.26 -2.30 0.23 0.02 -1.94 -3.39 113.55 113.29 3kyf h SER 42 Ca -0.13 0.15 -0.62 0.00 -0.84 0.00 0.00 61.79 60.35 3kyf h SER 42 Cb 1.13 0.49 0.08 0.00 0.14 0.00 0.00 62.40 64.24 3kyf h SER 42 CO 0.18 -0.46 0.45 1.57 -1.14 0.00 0.00 176.83 177.43 3kyf n HIS 43 N -5.45 1.74 -4.03 3.45 -0.00 -1.26 -4.99 115.22 104.68 3kyf n HIS 43 Ca -0.06 0.55 -0.35 0.00 -0.00 0.00 0.00 57.72 57.86 3kyf n HIS 43 Cb 0.37 -2.37 -0.09 0.00 -0.00 0.00 0.00 29.99 27.90 3kyf n HIS 43 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 3kyf s ARG 44 N -0.36 3.74 0.27 1.57 3.03 -1.26 -4.57 118.95 121.37 3kyf s ARG 44 Ca 0.71 -0.31 0.07 0.00 2.03 0.00 0.00 55.73 58.23 3kyf s ARG 44 Cb -0.75 -3.15 -0.03 0.00 -1.03 0.00 0.00 34.95 29.98 3kyf s ARG 44 CO 0.51 0.43 0.20 -0.06 -1.13 0.00 0.00 175.30 175.25 3kyf s PHE 45 N -0.08 3.03 0.06 5.89 0.08 -0.49 -4.83 117.98 121.64 3kyf s PHE 45 Ca 0.07 -0.16 0.06 0.00 0.12 0.00 0.00 56.93 57.02 3kyf s PHE 45 Cb -0.12 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 3kyf s PHE 45 CO 0.01 0.45 -0.11 -1.14 -0.10 0.00 0.00 175.22 174.33 3kyf s GLN 46 N -3.86 2.23 0.03 0.44 0.74 0.14 -0.35 119.66 119.03 3kyf s GLN 46 Ca 0.35 -0.93 -0.01 0.00 0.05 0.00 0.00 55.36 54.82 3kyf s GLN 46 Cb -0.07 -2.33 0.00 0.00 1.10 0.00 0.00 33.01 31.71 3kyf s GLN 46 CO 0.25 0.54 0.06 0.45 -0.55 0.00 0.00 175.29 176.04 3kyf n SER 47 N 1.15 -0.17 -3.68 6.67 2.88 -1.03 -1.94 113.62 117.49 3kyf n SER 47 Ca -0.15 -1.16 -0.12 0.00 -1.33 0.00 0.00 58.87 56.12 3kyf n SER 47 Cb 0.52 0.30 -0.06 0.00 -0.75 0.00 0.00 64.21 64.22 3kyf n SER 47 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3kyf s TYR 48 N -6.64 -0.19 -0.08 0.66 2.02 -1.26 -1.55 117.35 110.31 3kyf s TYR 48 Ca 0.02 0.03 -0.26 0.00 -0.37 0.00 0.00 57.07 56.49 3kyf s TYR 48 Cb -0.00 0.19 -0.03 0.00 -0.40 0.00 0.00 41.96 41.72 3kyf s TYR 48 CO 0.02 -0.59 0.84 0.08 -1.57 0.00 0.00 175.55 174.33 3kyf s VAL 49 N -2.94 4.92 0.00 0.71 1.01 -1.26 0.02 120.40 122.86 3kyf s VAL 49 Ca -0.02 1.72 0.00 0.00 0.00 0.00 0.00 61.98 63.68 3kyf s VAL 49 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 3kyf s VAL 49 CO -0.06 0.14 0.22 1.33 0.00 0.00 0.00 175.10 176.73 3kyf n VAL 50 N 4.17 0.00 -3.63 2.92 0.24 -0.42 -4.40 118.33 117.21 3kyf n VAL 50 Ca 0.03 -0.47 -0.05 0.00 -2.04 0.00 0.00 64.34 61.81 3kyf n VAL 50 Cb 0.50 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.83 3kyf n VAL 50 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3kyf s HIS 51 N -0.51 -1.03 -0.09 6.34 2.46 -1.16 -4.96 115.29 116.35 3kyf s HIS 51 Ca 0.00 1.97 -0.01 0.00 0.47 0.00 0.00 55.06 57.49 3kyf s HIS 51 Cb 0.00 0.61 0.03 0.00 -0.13 0.00 0.00 32.58 33.09 3kyf s HIS 51 CO 0.00 -0.51 -0.02 0.08 -2.47 0.00 0.00 174.74 171.83 3kyf s VAL 52 N 1.88 0.54 -0.33 0.89 1.01 -1.26 -1.11 120.40 122.02 3kyf s VAL 52 Ca -0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 3kyf s VAL 52 Cb -0.06 -0.68 0.12 0.00 0.00 0.00 0.00 36.38 35.76 3kyf s VAL 52 CO -0.19 0.27 0.17 -0.62 0.00 0.00 0.00 175.10 174.74 3kyf s ASP 53 N 1.90 3.28 0.24 3.32 2.15 -0.37 -5.02 116.67 122.18 3kyf s ASP 53 Ca 0.05 -1.83 -0.07 0.00 0.43 0.00 0.00 52.55 51.13 3kyf s ASP 53 Cb -0.12 -0.44 0.24 0.00 -0.30 0.00 0.00 42.92 42.30 3kyf s ASP 53 CO -0.06 -0.36 1.91 -0.09 -0.17 0.00 0.00 175.17 176.40 3kyf h ARG 54 N 7.60 1.22 -0.67 4.34 2.43 -1.95 -0.45 114.38 126.90 3kyf h ARG 54 Ca -0.06 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3kyf h ARG 54 Cb 0.99 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 3kyf h ARG 54 CO 0.35 0.81 0.44 0.93 -1.51 0.00 0.00 179.97 180.99 3kyf h GLU 55 N 1.26 0.90 -0.10 0.20 5.08 -1.95 -1.95 114.58 118.01 3kyf h GLU 55 Ca 0.35 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3kyf h GLU 55 Cb -0.13 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 28.92 3kyf h GLU 55 CO -0.08 0.61 0.00 0.43 -1.00 0.00 0.00 179.01 178.97 3kyf n SER 56 N -4.60 1.31 -4.06 1.42 7.64 -1.06 -4.92 113.62 109.35 3kyf n SER 56 Ca 0.06 -1.58 -0.29 0.00 1.01 0.00 0.00 58.87 58.06 3kyf n SER 56 Cb 0.03 -0.06 -0.02 0.00 -1.01 0.00 0.00 64.21 63.14 3kyf n SER 56 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3kyf n ASN 57 N 0.06 -1.49 -4.22 6.43 5.15 -0.32 -4.95 115.26 115.92 3kyf n ASN 57 Ca 0.17 -1.01 -0.30 0.00 -0.60 0.00 0.00 54.58 52.84 3kyf n ASN 57 Cb 0.29 -2.93 -0.16 0.00 -0.53 0.00 0.00 39.78 36.44 3kyf n ASN 57 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kyf s THR 58 N -3.72 1.87 -0.05 -0.44 2.01 -0.37 -2.89 115.64 112.05 3kyf s THR 58 Ca 0.28 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.36 3kyf s THR 58 Cb -0.15 -1.59 0.01 0.00 0.01 0.00 0.00 72.50 70.78 3kyf s THR 58 CO 0.90 0.52 -0.12 -0.22 -0.69 0.00 0.00 174.62 175.02 3kyf s LEU 59 N -0.04 1.71 -0.06 4.42 2.96 0.61 -1.24 118.68 127.05 3kyf s LEU 59 Ca -0.05 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3kyf s LEU 59 Cb -0.14 -0.75 -0.00 0.00 0.50 0.00 0.00 46.19 45.80 3kyf s LEU 59 CO 0.04 0.06 -0.19 0.00 -1.32 0.00 0.00 176.35 174.94 3kyf s ALA 60 N 0.42 1.70 0.01 5.97 0.00 -0.27 -0.81 121.76 128.79 3kyf s ALA 60 Ca -0.09 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.13 3kyf s ALA 60 Cb -0.13 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.36 3kyf s ALA 60 CO 0.02 0.28 0.01 -0.51 0.00 0.00 0.00 175.76 175.56 3kyf s LEU 61 N 0.14 3.55 0.62 0.00 1.43 0.14 -1.30 118.68 123.26 3kyf s LEU 61 Ca -0.08 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 52.85 3kyf s LEU 61 Cb -0.14 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.00 3kyf s LEU 61 CO 0.04 0.27 1.13 -0.62 0.23 0.00 0.00 176.35 177.40 3kyf s ASP 62 N -1.65 5.27 0.07 2.29 2.15 0.10 -0.84 116.67 124.06 3kyf s ASP 62 Ca 0.21 2.12 -0.37 0.00 0.43 0.00 0.00 52.55 54.94 3kyf s ASP 62 Cb -0.12 -2.57 -0.18 0.00 -0.30 0.00 0.00 42.92 39.75 3kyf s ASP 62 CO 0.11 -1.53 1.10 1.21 -0.17 0.00 0.00 175.17 175.89 3kyf n GLU 63 N -1.97 0.49 -1.10 4.34 2.13 -1.06 -4.47 120.64 119.00 3kyf n GLU 63 Ca 0.11 0.18 -0.34 0.00 0.66 0.00 0.00 57.16 57.77 3kyf n GLU 63 Cb 0.51 -1.66 0.11 0.00 0.27 0.00 0.00 31.44 30.67 3kyf n GLU 63 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3kyf n MET 64 N 1.75 0.14 -3.51 5.31 2.81 -1.26 -4.72 117.12 117.63 3kyf n MET 64 Ca 0.19 0.11 -0.17 0.00 -1.81 0.00 0.00 57.70 56.02 3kyf n MET 64 Cb 0.15 -2.16 -0.13 0.00 -0.71 0.00 0.00 33.22 30.37 3kyf n MET 64 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3kyf s ILE 65 N -2.11 -0.36 0.63 2.02 1.01 -0.82 -3.36 121.20 118.22 3kyf s ILE 65 Ca 0.68 -0.03 -0.18 0.00 0.00 0.00 0.00 60.65 61.13 3kyf s ILE 65 Cb -0.29 -0.63 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 3kyf s ILE 65 CO 0.56 -0.13 1.23 -2.16 0.00 0.00 0.00 174.94 174.44 3kyf s PRO 66 N 2.36 2.71 0.57 2.79 0.04 -1.26 -0.68 135.00 141.53 3kyf s PRO 66 Ca 0.06 1.87 0.27 0.00 0.04 0.00 0.00 61.00 63.25 3kyf s PRO 66 Cb -0.15 -1.89 1.52 0.00 0.04 0.00 0.00 34.50 34.02 3kyf s PRO 66 CO -0.12 -1.43 2.01 -0.09 0.04 0.00 0.00 177.00 177.42 3kyf h ARG 67 N 0.57 0.00 0.00 4.56 2.43 -1.94 -1.74 114.38 118.26 3kyf h ARG 67 Ca -0.50 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 3kyf h ARG 67 Cb 1.31 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.86 3kyf h ARG 67 CO 0.54 0.00 -0.04 0.38 -1.51 0.00 0.00 179.97 179.33 3kyf h ASP 68 N 0.00 0.00 -0.01 -3.80 3.04 -1.98 -2.14 116.42 111.54 3kyf h ASP 68 Ca 0.17 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.96 3kyf h ASP 68 Cb 0.83 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.12 3kyf h ASP 68 CO -0.00 0.04 0.01 1.23 -2.04 0.00 0.00 179.24 178.48 3kyf h GLY 69 N 0.28 0.00 1.66 7.15 0.00 -1.67 -1.64 103.07 108.86 3kyf h GLY 69 Ca -0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3kyf h GLY 69 CO 0.01 0.00 0.16 -2.09 0.00 0.00 0.00 176.54 174.61 3kyf h GLU 70 N 0.00 0.00 -0.73 4.80 4.81 -1.60 -0.86 114.58 121.00 3kyf h GLU 70 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3kyf h GLU 70 Cb 0.03 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3kyf h GLU 70 CO -0.00 0.00 0.31 -0.22 -0.73 0.00 0.00 179.01 178.37 3kyf h LYS 71 N 0.00 1.06 0.00 1.92 3.64 -1.53 -1.55 116.57 120.12 3kyf h LYS 71 Ca 0.02 -0.17 -0.10 0.00 -1.27 0.00 0.00 60.65 59.13 3kyf h LYS 71 Cb 0.33 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3kyf h LYS 71 CO -0.00 0.84 -0.47 0.74 -2.27 0.00 0.00 179.45 178.29 3kyf h PHE 72 N 1.04 0.00 -0.05 1.91 0.04 -1.37 0.03 116.94 118.55 3kyf h PHE 72 Ca 0.25 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.83 3kyf h PHE 72 Cb 0.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3kyf h PHE 72 CO 0.01 0.47 -0.77 0.82 -0.60 0.00 0.00 178.31 178.25 3kyf h ILE 73 N 0.00 1.40 -0.43 -0.55 2.04 -1.49 -0.25 117.51 118.24 3kyf h ILE 73 Ca -0.00 -2.24 -0.07 0.00 1.00 0.00 0.00 64.86 63.54 3kyf h ILE 73 Cb 0.96 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 39.22 3kyf h ILE 73 CO 0.06 0.67 -0.00 -0.33 0.00 0.00 0.00 178.15 178.55 3kyf h GLU 74 N 0.23 0.77 0.00 2.37 5.08 -0.79 -0.86 114.58 121.38 3kyf h GLU 74 Ca -0.04 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3kyf h GLU 74 Cb 1.35 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3kyf h GLU 74 CO 0.13 0.84 0.00 -0.91 -1.00 0.00 0.00 179.01 178.07 3kyf h ASN 75 N 0.61 0.00 -2.74 1.42 2.35 -0.80 -3.45 115.58 112.97 3kyf h ASN 75 Ca 0.12 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.67 3kyf h ASN 75 Cb 0.50 0.00 0.04 0.00 0.05 0.00 0.00 38.32 38.91 3kyf h ASN 75 CO 0.02 0.00 -0.31 0.61 -1.65 0.00 0.00 177.43 176.10 3kyf n GLY 76 N -0.84 0.13 3.80 2.83 0.00 -0.33 -5.00 105.19 105.78 3kyf n GLY 76 Ca -0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 3kyf n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kyf s GLU 77 N -5.27 4.38 0.38 1.61 2.02 -0.18 -4.92 118.70 116.72 3kyf s GLU 77 Ca 0.19 1.20 -0.25 0.00 0.02 0.00 0.00 54.97 56.14 3kyf s GLU 77 Cb -0.08 -2.47 -0.09 0.00 0.10 0.00 0.00 34.13 31.59 3kyf s GLU 77 CO 0.24 0.12 1.05 -1.01 0.02 0.00 0.00 175.26 175.67 3kyf s HIS 78 N -1.92 3.32 0.15 1.61 3.76 -1.26 -4.83 115.29 116.12 3kyf s HIS 78 Ca 0.56 1.66 -0.10 0.00 -0.15 0.00 0.00 55.06 57.03 3kyf s HIS 78 Cb -0.13 -3.13 0.00 0.00 1.11 0.00 0.00 32.58 30.43 3kyf s HIS 78 CO 0.18 -0.57 0.30 -0.59 -0.85 0.00 0.00 174.74 173.21 3kyf s PHE 79 N -1.61 0.24 0.13 1.40 -0.71 -1.00 -0.52 117.98 115.91 3kyf s PHE 79 Ca 0.56 -0.61 0.07 0.00 -1.04 0.00 0.00 56.93 55.91 3kyf s PHE 79 Cb -0.23 0.02 -0.04 0.00 -1.21 0.00 0.00 43.02 41.56 3kyf s PHE 79 CO 0.29 -0.70 -0.05 -0.98 -1.34 0.00 0.00 175.22 172.43 3kyf s ARG 80 N -3.92 2.29 -0.02 1.99 1.04 -0.01 -1.22 118.95 119.10 3kyf s ARG 80 Ca 0.13 -1.05 0.03 0.00 -1.04 0.00 0.00 55.73 53.80 3kyf s ARG 80 Cb 0.03 -2.35 -0.00 0.00 -2.04 0.00 0.00 34.95 30.59 3kyf s ARG 80 CO -0.04 0.49 -0.09 0.08 -0.04 0.00 0.00 175.30 175.70 3kyf s VAL 81 N -1.46 0.77 -0.04 4.99 1.01 0.01 -1.34 120.40 124.34 3kyf s VAL 81 Ca 0.25 -0.38 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 3kyf s VAL 81 Cb -0.10 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.62 3kyf s VAL 81 CO 0.16 0.23 0.22 -1.83 0.00 0.00 0.00 175.10 173.89 3kyf s GLU 82 N 0.05 0.42 0.14 2.72 -1.05 -0.76 -1.16 118.70 119.06 3kyf s GLU 82 Ca -0.01 -0.01 -0.20 0.00 -0.15 0.00 0.00 54.97 54.60 3kyf s GLU 82 Cb -0.07 0.19 0.05 0.00 -0.44 0.00 0.00 34.13 33.87 3kyf s GLU 82 CO 0.00 -0.09 0.52 0.20 0.95 0.00 0.00 175.26 176.84 3kyf s GLY 83 N -0.65 -0.47 -0.09 -3.83 0.00 -0.03 -0.11 107.32 102.14 3kyf s GLY 83 Ca -0.07 0.29 -0.02 0.00 0.00 0.00 0.00 44.72 44.91 3kyf s GLY 83 CO 0.02 -0.01 0.00 -1.36 0.00 0.00 0.00 173.10 171.75 3kyf s PHE 84 N -3.66 3.16 -0.10 1.90 0.40 -1.26 0.10 117.98 118.52 3kyf s PHE 84 Ca 0.01 0.16 -0.02 0.00 -0.60 0.00 0.00 56.93 56.48 3kyf s PHE 84 Cb 0.00 -1.81 0.04 0.00 0.51 0.00 0.00 43.02 41.76 3kyf s PHE 84 CO -0.12 0.43 0.03 -1.58 0.70 0.00 0.00 175.22 174.68 3kyf s HIS 85 N -0.75 0.58 -1.43 0.36 2.46 -0.09 -4.77 115.29 111.65 3kyf s HIS 85 Ca 0.12 -0.25 -0.06 0.00 0.47 0.00 0.00 55.06 55.33 3kyf s HIS 85 Cb -0.12 -0.78 0.04 0.00 -0.13 0.00 0.00 32.58 31.60 3kyf s HIS 85 CO 0.02 -0.38 0.79 -3.47 -2.47 0.00 0.00 174.74 169.23 3kyf n ASP 86 N 5.17 -2.66 0.00 9.88 2.03 -1.26 -1.31 116.55 128.40 3kyf n ASP 86 Ca -0.07 -0.83 0.00 0.00 0.52 0.00 0.00 54.79 54.41 3kyf n ASP 86 Cb 0.49 -3.83 0.00 0.00 -0.72 0.00 0.00 41.12 37.06 3kyf n ASP 86 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3kyf n GLY 87 N -1.66 2.94 3.73 0.27 0.00 -1.26 -5.01 105.19 104.20 3kyf n GLY 87 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 3kyf n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kyf s VAL 88 N -1.73 4.99 -0.32 1.61 1.01 -0.43 -4.77 120.40 120.76 3kyf s VAL 88 Ca 0.00 1.37 -0.24 0.00 0.00 0.00 0.00 61.98 63.11 3kyf s VAL 88 Cb 0.00 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.38 3kyf s VAL 88 CO 0.00 0.31 0.83 -0.60 0.00 0.00 0.00 175.10 175.64 3kyf s ARG 89 N 0.46 3.92 -0.23 2.72 3.52 0.48 -0.91 118.95 128.90 3kyf s ARG 89 Ca 0.35 0.58 -0.08 0.00 -0.13 0.00 0.00 55.73 56.45 3kyf s ARG 89 Cb -0.18 -3.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.42 3kyf s ARG 89 CO 0.18 -0.76 0.10 0.42 -0.81 0.00 0.00 175.30 174.43 3kyf s ILE 90 N 3.11 4.76 0.02 4.11 -1.09 0.12 -1.72 121.20 130.51 3kyf s ILE 90 Ca 0.34 -0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.69 3kyf s ILE 90 Cb -0.14 -3.21 -0.01 0.00 -1.58 0.00 0.00 42.46 37.52 3kyf s ILE 90 CO 0.14 0.36 0.06 0.00 -1.23 0.00 0.00 174.94 174.27 3kyf s ALA 91 N 1.20 -0.07 0.31 9.38 0.00 -0.66 -0.85 121.76 131.07 3kyf s ALA 91 Ca 0.05 -0.45 -0.19 0.00 0.00 0.00 0.00 51.96 51.37 3kyf s ALA 91 Cb -0.14 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.17 3kyf s ALA 91 CO 0.04 -0.23 0.73 1.67 0.00 0.00 0.00 175.76 177.97 3kyf s TRP 92 N -1.85 -0.08 0.01 0.00 -2.14 -0.31 0.22 118.94 114.79 3kyf s TRP 92 Ca -0.12 -0.44 0.05 0.00 2.66 0.00 0.00 56.10 58.25 3kyf s TRP 92 Cb -0.06 0.72 -0.03 0.00 -3.10 0.00 0.00 33.47 31.00 3kyf s TRP 92 CO -0.01 -1.33 -0.11 -1.21 -2.66 0.00 0.00 176.95 171.63 3kyf s GLU 93 N -3.47 2.38 -0.27 3.25 0.41 -1.26 -0.81 118.70 118.93 3kyf s GLU 93 Ca 0.13 -0.81 0.03 0.00 -0.41 0.00 0.00 54.97 53.91 3kyf s GLU 93 Cb -0.06 -2.38 0.07 0.00 -1.78 0.00 0.00 34.13 29.98 3kyf s GLU 93 CO 0.08 0.58 -0.06 0.00 -0.49 0.00 0.00 175.26 175.38 3kyf n ASP 95 N 4.45 2.67 -4.77 0.00 5.68 -1.26 -2.38 116.55 120.94 3kyf n ASP 95 Ca -0.10 -2.31 -0.22 0.00 -0.50 0.00 0.00 54.79 51.66 3kyf n ASP 95 Cb 0.42 -0.23 -0.05 0.00 -1.14 0.00 0.00 41.12 40.12 3kyf n ASP 95 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 3kyf s HIS 96 N -1.55 2.96 0.14 2.11 -3.43 -1.26 -4.96 115.29 109.29 3kyf s HIS 96 Ca 0.19 -0.17 -0.30 0.00 -0.80 0.00 0.00 55.06 53.99 3kyf s HIS 96 Cb 0.14 -1.37 -0.07 0.00 -1.43 0.00 0.00 32.58 29.85 3kyf s HIS 96 CO 0.07 0.52 1.06 0.00 -2.00 0.00 0.00 174.74 174.40 3kyf s ALA 97 N -2.21 3.32 0.13 -1.38 0.00 -1.26 -4.98 121.76 115.38 3kyf s ALA 97 Ca 0.33 0.73 0.04 0.00 0.00 0.00 0.00 51.96 53.06 3kyf s ALA 97 Cb -0.07 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.67 3kyf s ALA 97 CO 0.23 -0.17 0.10 -0.51 0.00 0.00 0.00 175.76 175.42 3kyf s LEU 98 N -0.06 3.77 -0.19 0.00 1.43 -1.26 -4.76 118.68 117.61 3kyf s LEU 98 Ca 0.50 -0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.39 3kyf s LEU 98 Cb -0.27 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.49 3kyf s LEU 98 CO 0.32 0.11 0.16 -0.75 0.23 0.00 0.00 176.35 176.43 3kyf s LYS 99 N -2.79 4.18 -0.27 1.70 2.20 0.44 -4.86 119.74 120.34 3kyf s LYS 99 Ca 0.30 -0.15 -0.19 0.00 -0.36 0.00 0.00 55.97 55.57 3kyf s LYS 99 Cb -0.11 -3.41 -0.02 0.00 -1.51 0.00 0.00 37.83 32.78 3kyf s LYS 99 CO 0.22 0.31 0.55 0.42 -0.36 0.00 0.00 175.35 176.49 3kyf s ILE 100 N 0.33 5.04 0.20 5.43 1.01 -1.26 -1.07 121.20 130.87 3kyf s ILE 100 Ca 0.10 0.93 0.10 0.00 0.00 0.00 0.00 60.65 61.77 3kyf s ILE 100 Cb -0.11 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 3kyf s ILE 100 CO -0.01 0.04 -0.19 -0.44 0.00 0.00 0.00 174.94 174.35 3kyf s SER 101 N 1.54 3.02 -0.08 3.58 0.01 0.19 -4.97 113.70 116.99 3kyf s SER 101 Ca 0.23 -0.92 0.01 0.00 1.31 0.00 0.00 55.95 56.57 3kyf s SER 101 Cb -0.16 -0.20 0.02 0.00 0.21 0.00 0.00 66.02 65.89 3kyf s SER 101 CO 0.09 -0.01 -0.09 -0.70 0.41 0.00 0.00 173.24 172.94 3kyf s GLU 102 N -3.06 1.48 -0.13 12.44 2.12 -1.26 -0.06 118.70 130.23 3kyf s GLU 102 Ca 0.21 -0.30 -0.00 0.00 0.36 0.00 0.00 54.97 55.24 3kyf s GLU 102 Cb -0.05 -1.38 0.03 0.00 0.26 0.00 0.00 34.13 32.98 3kyf s GLU 102 CO 0.09 -0.11 -0.07 0.08 -0.54 0.00 0.00 175.26 174.71 3kyf s VAL 103 N 1.13 1.08 -1.55 3.70 1.01 0.67 -4.78 120.40 121.67 3kyf s VAL 103 Ca -0.06 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 3kyf s VAL 103 Cb -0.14 -1.14 0.10 0.00 0.00 0.00 0.00 36.38 35.19 3kyf s VAL 103 CO -0.02 0.30 0.90 0.47 0.00 0.00 0.00 175.10 176.76 3kyf n ASP 104 N 4.91 -4.53 0.00 3.32 9.92 -1.26 -0.94 116.55 127.97 3kyf n ASP 104 Ca -0.13 -0.77 0.00 0.00 -0.53 0.00 0.00 54.79 53.36 3kyf n ASP 104 Cb 0.49 -3.64 0.00 0.00 -0.64 0.00 0.00 41.12 37.33 3kyf n ASP 104 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3kyf n GLY 105 N -1.59 2.98 3.67 0.44 0.00 -1.26 -5.00 105.19 104.42 3kyf n GLY 105 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3kyf n GLY 105 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kyf s HIS 106 N -1.49 3.40 0.28 1.61 3.76 -0.11 -5.04 115.29 117.70 3kyf s HIS 106 Ca 0.00 1.04 0.03 0.00 -0.15 0.00 0.00 55.06 55.98 3kyf s HIS 106 Cb 0.00 -2.86 -0.03 0.00 1.11 0.00 0.00 32.58 30.80 3kyf s HIS 106 CO 0.00 -0.17 0.45 -0.98 -0.85 0.00 0.00 174.74 173.18 3kyf s ARG 107 N 1.90 3.47 0.17 1.40 1.70 -1.26 -0.24 118.95 126.08 3kyf s ARG 107 Ca 0.32 -0.54 -0.16 0.00 -0.47 0.00 0.00 55.73 54.89 3kyf s ARG 107 Cb -0.16 -2.78 0.02 0.00 -0.57 0.00 0.00 34.95 31.46 3kyf s ARG 107 CO 0.11 0.30 0.44 0.00 -1.08 0.00 0.00 175.30 175.07 3kyf s TYR 109 N -3.86 2.78 0.08 0.00 2.02 -0.02 -0.64 117.35 117.71 3kyf s TYR 109 Ca 0.08 -1.43 0.09 0.00 -0.37 0.00 0.00 57.07 55.45 3kyf s TYR 109 Cb 0.01 -1.92 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 3kyf s TYR 109 CO -0.06 -0.70 -0.25 -1.54 -1.57 0.00 0.00 175.55 171.44 3kyf s SER 110 N 1.16 3.01 0.00 2.29 1.04 -0.24 0.26 113.70 121.22 3kyf s SER 110 Ca 0.01 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.79 3kyf s SER 110 Cb -0.14 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.75 3kyf s SER 110 CO -0.08 0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.93 3kyf n GLY 111 N 1.37 1.89 3.79 7.32 0.00 0.01 -0.42 105.19 119.16 3kyf n GLY 111 Ca -0.18 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 3kyf n GLY 111 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kyf s PRO 112 N -1.42 2.98 0.67 1.61 0.04 -1.25 -0.28 135.00 137.34 3kyf s PRO 112 Ca 0.00 1.22 -0.17 0.00 0.04 0.00 0.00 61.00 62.09 3kyf s PRO 112 Cb 0.00 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3kyf s PRO 112 CO 0.00 -1.08 1.23 -0.51 0.04 0.00 0.00 177.00 176.68 3kyf s LEU 113 N -4.92 3.48 0.46 -3.56 1.43 -1.14 -4.56 118.68 109.86 3kyf s LEU 113 Ca 0.64 2.43 -0.22 0.00 -1.03 0.00 0.00 54.13 55.95 3kyf s LEU 113 Cb -0.17 -4.60 -0.08 0.00 0.03 0.00 0.00 46.19 41.37 3kyf s LEU 113 CO 0.43 -2.00 1.10 -2.16 0.23 0.00 0.00 176.35 173.95 3kyf s PRO 114 N -3.61 3.85 0.37 1.29 0.04 -1.26 -4.92 135.00 130.76 3kyf s PRO 114 Ca 0.77 1.58 0.13 0.00 0.04 0.00 0.00 61.00 63.52 3kyf s PRO 114 Cb -0.32 -2.33 0.72 0.00 0.04 0.00 0.00 34.50 32.61 3kyf s PRO 114 CO 0.40 -0.43 1.83 1.96 0.04 0.00 0.00 177.00 180.80 3kyf h GLN 115 N 1.99 0.00 -3.86 4.56 1.08 -1.92 -3.45 115.11 113.51 3kyf h GLN 115 Ca -0.49 -0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.57 3kyf h GLN 115 Cb 1.23 -0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.48 3kyf h GLN 115 CO 0.60 0.37 -0.58 -1.83 -0.95 0.00 0.00 178.83 176.45 3kyf s GLU 116 N -4.21 0.52 -0.01 1.46 -1.05 -1.26 -4.55 118.70 109.60 3kyf s GLU 116 Ca -0.03 -0.74 -0.01 0.00 -0.15 0.00 0.00 54.97 54.04 3kyf s GLU 116 Cb 0.14 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 3kyf s GLU 116 CO 0.73 -0.12 0.02 0.08 0.95 0.00 0.00 175.26 176.91 3kyf s VAL 117 N -2.39 0.01 0.07 1.83 1.01 -0.60 -4.56 120.40 115.77 3kyf s VAL 117 Ca -0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 3kyf s VAL 117 Cb -0.03 -0.06 -0.05 0.00 0.00 0.00 0.00 36.38 36.25 3kyf s VAL 117 CO -0.04 -0.04 0.27 0.42 0.00 0.00 0.00 175.10 175.71 3kyf s THR 118 N -0.12 5.30 -0.20 3.92 -4.23 0.13 -0.41 115.64 120.04 3kyf s THR 118 Ca -0.01 -0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.34 3kyf s THR 118 Cb -0.01 -3.61 0.06 0.00 1.34 0.00 0.00 72.50 70.28 3kyf s THR 118 CO -0.00 0.16 0.03 -0.47 -0.54 0.00 0.00 174.62 173.80 3kyf s TYR 119 N -1.51 1.09 -0.07 3.99 6.14 -0.04 -1.66 117.35 125.29 3kyf s TYR 119 Ca 0.35 -0.89 0.00 0.00 0.64 0.00 0.00 57.07 57.17 3kyf s TYR 119 Cb -0.13 -1.05 0.02 0.00 0.42 0.00 0.00 41.96 41.23 3kyf s TYR 119 CO 0.24 -0.62 -0.05 -1.58 0.64 0.00 0.00 175.55 174.18 3kyf s HIS 120 N 1.84 1.01 -0.21 4.97 2.46 -0.70 0.37 115.29 125.03 3kyf s HIS 120 Ca -0.01 -0.38 -0.04 0.00 0.47 0.00 0.00 55.06 55.10 3kyf s HIS 120 Cb -0.17 -0.91 0.07 0.00 -0.13 0.00 0.00 32.58 31.44 3kyf s HIS 120 CO -0.08 -0.33 0.08 -1.14 -2.47 0.00 0.00 174.74 170.81 3kyf s GLN 121 N 1.40 0.29 0.11 2.88 -0.44 -1.26 -0.39 119.66 122.24 3kyf s GLN 121 Ca -0.03 -0.34 0.26 0.00 -2.50 0.00 0.00 55.36 52.76 3kyf s GLN 121 Cb -0.13 -1.78 0.78 0.00 -1.64 0.00 0.00 33.01 30.24 3kyf s GLN 121 CO -0.03 -0.76 1.67 0.54 0.50 0.00 0.00 175.29 177.21 3kyf n ARG 122 N 5.18 0.17 -3.12 1.67 1.74 -1.26 -4.91 116.66 116.13 3kyf n ARG 122 Ca -0.07 0.11 -0.39 0.00 -0.77 0.00 0.00 57.85 56.72 3kyf n ARG 122 Cb 0.47 -1.66 -0.05 0.00 -1.02 0.00 0.00 32.46 30.19 3kyf n ARG 122 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3kyf s ARG 123 N -3.08 4.39 0.00 5.56 0.52 -1.26 -4.92 118.95 120.16 3kyf s ARG 123 Ca 0.11 0.81 0.26 0.00 -0.52 0.00 0.00 55.73 56.38 3kyf s ARG 123 Cb 0.15 -3.40 1.22 0.00 0.52 0.00 0.00 34.95 33.44 3kyf s ARG 123 CO 0.62 0.21 1.85 0.27 0.02 0.00 0.00 175.30 178.27 3kyf n ASN 124 N 3.26 0.00 -3.60 0.23 0.23 -1.26 -4.81 115.26 109.31 3kyf n ASN 124 Ca -0.04 0.13 -0.16 0.00 -0.53 0.00 0.00 54.58 53.99 3kyf n ASN 124 Cb 0.51 -0.37 -0.07 0.00 -2.08 0.00 0.00 39.78 37.78 3kyf n ASN 124 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kyf s ALA 125 N -2.73 -1.63 0.18 -2.53 0.00 -1.26 -5.02 121.76 108.77 3kyf s ALA 125 Ca 0.20 1.50 -0.30 0.00 0.00 0.00 0.00 51.96 53.35 3kyf s ALA 125 Cb 0.17 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.71 3kyf s ALA 125 CO 0.42 -0.34 1.38 0.12 0.00 0.00 0.00 175.76 177.34 3kyf s PHE 126 N -0.49 3.19 -0.31 0.00 5.36 -1.26 -4.82 117.98 119.64 3kyf s PHE 126 Ca -0.06 1.06 -0.15 0.00 -0.96 0.00 0.00 56.93 56.82 3kyf s PHE 126 Cb -0.03 -3.70 -0.02 0.00 -0.34 0.00 0.00 43.02 38.93 3kyf s PHE 126 CO 0.05 -2.31 0.37 1.03 -1.46 0.00 0.00 175.22 172.90 3kyf s ARG 127 N 0.27 3.78 -0.20 10.12 0.52 -1.26 -4.22 118.95 127.96 3kyf s ARG 127 Ca 0.60 -0.20 -0.15 0.00 -0.52 0.00 0.00 55.73 55.46 3kyf s ARG 127 Cb -0.38 -3.73 -0.04 0.00 0.52 0.00 0.00 34.95 31.31 3kyf s ARG 127 CO 0.36 -0.41 0.37 0.00 0.02 0.00 0.00 175.30 175.64 3kyf s ALA 128 N 2.05 3.56 0.22 2.13 0.00 0.58 -4.84 121.76 125.47 3kyf s ALA 128 Ca 0.13 -0.55 -0.20 0.00 0.00 0.00 0.00 51.96 51.33 3kyf s ALA 128 Cb -0.16 -2.58 -0.08 0.00 0.00 0.00 0.00 23.12 20.29 3kyf s ALA 128 CO 0.11 -0.26 0.74 0.00 0.00 0.00 0.00 175.76 176.35 3kyf s ALA 129 N 1.21 3.40 0.15 0.00 0.00 -1.26 -1.34 121.76 123.93 3kyf s ALA 129 Ca 0.18 0.20 -0.09 0.00 0.00 0.00 0.00 51.96 52.24 3kyf s ALA 129 Cb -0.14 -2.85 -0.06 0.00 0.00 0.00 0.00 23.12 20.06 3kyf s ALA 129 CO 0.07 0.32 0.46 -0.51 0.00 0.00 0.00 175.76 176.10 3kyf s LEU 130 N -1.92 4.28 0.27 0.00 1.02 -0.15 -4.96 118.68 117.22 3kyf s LEU 130 Ca 0.43 0.83 -0.30 0.00 0.02 0.00 0.00 54.13 55.12 3kyf s LEU 130 Cb -0.17 -3.29 -0.10 0.00 0.02 0.00 0.00 46.19 42.64 3kyf s LEU 130 CO 0.21 0.07 1.42 -0.54 0.02 0.00 0.00 176.35 177.53 3kyf s LYS 131 N -2.33 4.27 0.64 1.70 1.02 -1.26 -4.84 119.74 118.95 3kyf s LYS 131 Ca 0.39 2.31 0.33 0.00 0.02 0.00 0.00 55.97 59.02 3kyf s LYS 131 Cb -0.13 -3.09 1.81 0.00 -0.52 0.00 0.00 37.83 35.89 3kyf s LYS 131 CO 0.20 -0.39 2.06 -0.07 -0.92 0.00 0.00 175.35 176.24 3kyf h LEU 132 N 4.61 0.00 -1.11 3.17 3.38 -1.97 0.39 115.31 123.78 3kyf h LEU 132 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3kyf h LEU 132 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 3kyf h LEU 132 CO 0.75 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.74 3kyf n SER 133 N -3.20 1.71 -2.71 -0.43 3.41 -1.26 -4.09 113.62 107.05 3kyf n SER 133 Ca -0.01 -1.58 -0.05 0.00 -0.26 0.00 0.00 58.87 56.97 3kyf n SER 133 Cb 0.32 -0.02 0.04 0.00 -0.26 0.00 0.00 64.21 64.30 3kyf n SER 133 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kyf n GLN 134 N 0.34 1.95 -2.33 4.33 6.02 0.13 -5.09 117.38 122.72 3kyf n GLN 134 Ca 0.18 -3.59 -0.41 0.00 -0.01 0.00 0.00 57.00 53.17 3kyf n GLN 134 Cb 0.38 -1.67 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 3kyf n GLN 134 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3kyf s LEU 135 N -3.71 4.42 0.14 1.08 1.43 -1.16 -4.63 118.68 116.25 3kyf s LEU 135 Ca 0.31 2.23 -0.26 0.00 -1.03 0.00 0.00 54.13 55.37 3kyf s LEU 135 Cb 0.35 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.90 3kyf s LEU 135 CO -0.02 -0.45 0.82 -0.69 0.23 0.00 0.00 176.35 176.24 3kyf s VAL 136 N 0.29 4.44 0.14 -1.59 1.01 -1.26 -4.86 120.40 118.58 3kyf s VAL 136 Ca 0.56 1.79 -0.30 0.00 0.00 0.00 0.00 61.98 64.02 3kyf s VAL 136 Cb -0.33 -4.18 -0.07 0.00 0.00 0.00 0.00 36.38 31.80 3kyf s VAL 136 CO 0.35 0.45 1.09 -1.81 0.00 0.00 0.00 175.10 175.18 3kyf s ASP 137 N -0.70 7.27 0.12 3.32 1.01 -1.26 -0.87 116.67 125.57 3kyf s ASP 137 Ca 0.39 2.02 0.02 0.00 0.71 0.00 0.00 52.55 55.69 3kyf s ASP 137 Cb -0.23 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.06 3kyf s ASP 137 CO 0.27 -0.24 -0.05 0.27 0.21 0.00 0.00 175.17 175.63 3kyf s ILE 138 N 0.03 0.71 -0.05 0.77 -5.25 -0.49 -0.08 121.20 116.84 3kyf s ILE 138 Ca 0.50 -1.96 0.02 0.00 -0.99 0.00 0.00 60.65 58.23 3kyf s ILE 138 Cb -0.28 -1.82 0.01 0.00 2.95 0.00 0.00 42.46 43.31 3kyf s ILE 138 CO 0.33 -0.74 -0.11 -0.63 -1.79 0.00 0.00 174.94 171.99 3kyf s ILE 139 N -3.62 1.03 -0.22 8.37 -1.09 0.05 -0.45 121.20 125.27 3kyf s ILE 139 Ca 0.16 -0.44 -0.05 0.00 -2.23 0.00 0.00 60.65 58.09 3kyf s ILE 139 Cb 0.05 -0.94 -0.02 0.00 -1.58 0.00 0.00 42.46 39.97 3kyf s ILE 139 CO -0.02 0.33 0.00 -0.22 -1.23 0.00 0.00 174.94 173.80 3kyf s LEU 140 N 0.57 3.15 0.24 2.97 2.96 0.84 -0.88 118.68 128.53 3kyf s LEU 140 Ca -0.12 -0.29 -0.17 0.00 -0.22 0.00 0.00 54.13 53.33 3kyf s LEU 140 Cb -0.14 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.75 3kyf s LEU 140 CO 0.03 -0.00 0.57 -0.62 -1.32 0.00 0.00 176.35 175.01 3kyf s ASP 141 N 1.39 -0.21 0.00 3.68 2.15 -1.22 -0.96 116.67 121.49 3kyf s ASP 141 Ca 0.05 -0.65 0.00 0.00 0.43 0.00 0.00 52.55 52.38 3kyf s ASP 141 Cb -0.15 0.63 0.00 0.00 -0.30 0.00 0.00 42.92 43.10 3kyf s ASP 141 CO 0.00 -1.17 0.00 0.61 -0.17 0.00 0.00 175.17 174.44 3kyf n GLY 142 N -0.39 2.27 0.34 2.66 0.00 -1.26 -0.89 105.19 107.92 3kyf n GLY 142 Ca -0.06 -1.04 0.07 0.00 0.00 0.00 0.00 46.02 44.99 3kyf n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyf h ALA 143 N 0.00 1.79 -0.30 4.61 0.00 -1.98 -2.43 119.26 120.94 3kyf h ALA 143 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3kyf h ALA 143 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kyf h ALA 143 CO 0.00 0.11 0.00 0.72 0.00 0.00 0.00 179.25 180.08 3kyf n HIS 144 N -4.48 0.40 -2.29 0.00 8.25 -1.26 -4.89 115.22 110.94 3kyf n HIS 144 Ca 0.09 -0.20 -0.41 0.00 -0.26 0.00 0.00 57.72 56.94 3kyf n HIS 144 Cb 0.23 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.31 3kyf n HIS 144 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3kyf s LEU 145 N -1.28 4.43 0.10 2.41 2.96 -0.92 -4.97 118.68 121.41 3kyf s LEU 145 Ca 0.30 2.31 -0.13 0.00 -0.22 0.00 0.00 54.13 56.40 3kyf s LEU 145 Cb 0.16 -3.61 -0.06 0.00 0.50 0.00 0.00 46.19 43.18 3kyf s LEU 145 CO 0.23 -0.46 0.48 -0.54 -1.32 0.00 0.00 176.35 174.74 3kyf s LYS 146 N -0.10 3.89 0.00 1.98 1.02 -0.94 -4.94 119.74 120.66 3kyf s LYS 146 Ca 0.55 0.37 0.00 0.00 0.02 0.00 0.00 55.97 56.91 3kyf s LYS 146 Cb -0.34 -2.99 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 3kyf s LYS 146 CO 0.37 0.53 0.00 0.41 -0.92 0.00 0.00 175.35 175.74 3kyf n GLY 147 N 0.96 -1.46 3.25 -3.33 0.00 -1.26 -4.63 105.19 98.72 3kyf n GLY 147 Ca -0.07 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.52 3kyf n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kyf s ASN 148 N -4.00 4.19 0.00 1.61 4.22 -1.26 -5.04 114.94 114.66 3kyf s ASN 148 Ca 0.00 -0.60 0.00 0.00 -2.14 0.00 0.00 52.86 50.12 3kyf s ASN 148 Cb 0.00 -1.69 0.00 0.00 1.28 0.00 0.00 41.25 40.84 3kyf s ASN 148 CO 0.00 -0.06 0.00 0.61 -2.04 0.00 0.00 177.10 175.61 3kyf n GLY 149 N 4.74 0.98 3.78 0.45 0.00 -1.26 -4.99 105.19 108.88 3kyf n GLY 149 Ca -0.18 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.75 3kyf n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyf s ALA 150 N -2.84 2.90 -0.23 4.61 0.00 -1.26 -5.01 121.76 119.92 3kyf s ALA 150 Ca 0.00 0.74 -0.14 0.00 0.00 0.00 0.00 51.96 52.57 3kyf s ALA 150 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3kyf s ALA 150 CO 0.00 -0.46 0.30 -1.64 0.00 0.00 0.00 175.76 173.96 3kyf s MET 151 N -2.98 4.10 0.31 0.00 1.00 -0.13 -4.93 119.30 116.66 3kyf s MET 151 Ca 0.66 -0.01 -0.18 0.00 0.00 0.00 0.00 55.69 56.16 3kyf s MET 151 Cb -0.22 -3.56 -0.09 0.00 0.00 0.00 0.00 34.83 30.96 3kyf s MET 151 CO 0.26 -0.05 0.78 1.03 0.00 0.00 0.00 175.02 177.03 3kyf s ARG 152 N 1.38 4.14 0.00 2.03 0.52 -1.26 -0.11 118.95 125.65 3kyf s ARG 152 Ca 0.14 0.83 0.00 0.00 -0.52 0.00 0.00 55.73 56.18 3kyf s ARG 152 Cb -0.15 -2.54 0.00 0.00 0.52 0.00 0.00 34.95 32.78 3kyf s ARG 152 CO 0.07 0.20 0.00 0.41 0.02 0.00 0.00 175.30 176.01 3kyf n GLY 153 N -0.05 2.13 3.26 -3.53 0.00 0.41 -4.69 105.19 102.72 3kyf n GLY 153 Ca 0.02 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 3kyf n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kyf s LYS 154 N -1.38 1.07 -0.16 1.61 -0.14 -0.04 -1.40 119.74 119.29 3kyf s LYS 154 Ca 0.00 -1.18 -0.17 0.00 -1.36 0.00 0.00 55.97 53.26 3kyf s LYS 154 Cb 0.00 -1.16 -0.04 0.00 -1.68 0.00 0.00 37.83 34.95 3kyf s LYS 154 CO 0.00 0.25 0.44 -1.17 -0.76 0.00 0.00 175.35 174.11 3kyf s LEU 155 N -2.13 4.21 -0.22 3.17 2.96 -0.05 -0.76 118.68 125.88 3kyf s LEU 155 Ca 0.07 0.66 -0.05 0.00 -0.22 0.00 0.00 54.13 54.59 3kyf s LEU 155 Cb -0.08 -2.60 -0.11 0.00 0.50 0.00 0.00 46.19 43.89 3kyf s LEU 155 CO 0.04 -0.04 -0.24 0.18 -1.32 0.00 0.00 176.35 174.97 3kyf n LEU 156 N 4.08 2.24 -3.86 -0.68 4.77 0.97 -4.05 117.00 120.48 3kyf n LEU 156 Ca -0.08 0.09 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 3kyf n LEU 156 Cb 0.51 -0.69 -0.07 0.00 -2.33 0.00 0.00 43.42 40.85 3kyf n LEU 156 CO 0.42 0.65 -0.08 1.51 -1.33 0.00 0.00 177.39 178.56 3kyf s ASP 157 N -6.52 0.10 -0.08 -1.43 1.47 -1.20 -0.98 116.67 108.03 3kyf s ASP 157 Ca -0.30 -0.66 -0.15 0.00 1.18 0.00 0.00 52.55 52.63 3kyf s ASP 157 Cb 0.10 0.35 0.03 0.00 -0.34 0.00 0.00 42.92 43.06 3kyf s ASP 157 CO 0.43 -0.75 0.38 -0.51 0.68 0.00 0.00 175.17 175.40 3kyf s ILE 158 N -3.87 0.03 0.35 2.11 2.07 -0.45 -0.21 121.20 121.24 3kyf s ILE 158 Ca 0.06 -0.21 0.04 0.00 -1.41 0.00 0.00 60.65 59.12 3kyf s ILE 158 Cb 0.05 -0.61 -0.03 0.00 0.13 0.00 0.00 42.46 41.99 3kyf s ILE 158 CO -0.10 -0.12 0.15 -0.94 -1.91 0.00 0.00 174.94 172.02 3kyf s SER 159 N -0.58 2.15 0.52 4.50 1.04 0.37 -0.31 113.70 121.39 3kyf s SER 159 Ca -0.07 -1.61 0.24 0.00 0.48 0.00 0.00 55.95 54.99 3kyf s SER 159 Cb -0.04 0.41 1.44 0.00 0.10 0.00 0.00 66.02 67.94 3kyf s SER 159 CO 0.03 -0.90 2.11 0.00 0.98 0.00 0.00 173.24 175.46 3kyf h ALA 160 N 2.02 1.50 0.00 5.32 0.00 -1.88 -3.15 119.26 123.07 3kyf h ALA 160 Ca -0.34 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3kyf h ALA 160 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3kyf h ALA 160 CO 0.54 0.12 -1.37 0.25 0.00 0.00 0.00 179.25 178.79 3kyf n THR 161 N -3.92 0.00 -3.53 0.00 -2.24 -1.26 -4.93 114.28 98.40 3kyf n THR 161 Ca -0.02 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3kyf n THR 161 Cb 0.18 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 3kyf n THR 161 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kyf n GLY 162 N 1.41 1.05 3.57 3.38 0.00 -1.19 -1.65 105.19 111.76 3kyf n GLY 162 Ca 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.07 3kyf n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kyf s LYS 164 N -3.88 3.44 0.24 0.00 2.20 0.71 -1.57 119.74 120.88 3kyf s LYS 164 Ca 0.10 -0.53 0.11 0.00 -0.36 0.00 0.00 55.97 55.29 3kyf s LYS 164 Cb -0.02 -2.82 -0.05 0.00 -1.51 0.00 0.00 37.83 33.44 3kyf s LYS 164 CO -0.01 0.34 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.63 3kyf s LEU 165 N 0.08 2.64 -0.04 5.43 1.43 0.13 -0.02 118.68 128.32 3kyf s LEU 165 Ca -0.01 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 3kyf s LEU 165 Cb -0.14 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.85 3kyf s LEU 165 CO 0.03 0.07 -0.11 -0.60 0.23 0.00 0.00 176.35 175.97 3kyf s ARG 166 N -3.18 1.32 -0.01 1.70 3.52 0.06 -1.42 118.95 120.94 3kyf s ARG 166 Ca 0.27 -0.37 0.03 0.00 -0.13 0.00 0.00 55.73 55.53 3kyf s ARG 166 Cb -0.06 -1.17 -0.01 0.00 -1.56 0.00 0.00 34.95 32.15 3kyf s ARG 166 CO 0.14 0.09 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.55 3kyf s PHE 167 N 0.38 1.06 0.32 5.12 0.08 -0.55 -0.86 117.98 123.52 3kyf s PHE 167 Ca -0.08 -0.22 -0.29 0.00 0.12 0.00 0.00 56.93 56.47 3kyf s PHE 167 Cb -0.12 -0.70 -0.10 0.00 -0.57 0.00 0.00 43.02 41.54 3kyf s PHE 167 CO 0.02 -0.04 1.21 -2.00 -0.10 0.00 0.00 175.22 174.30 3kyf s GLU 168 N -0.15 4.45 0.17 0.44 2.12 -1.26 -1.63 118.70 122.83 3kyf s GLU 168 Ca 0.02 2.01 0.00 0.00 0.36 0.00 0.00 54.97 57.37 3kyf s GLU 168 Cb -0.06 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.25 3kyf s GLU 168 CO -0.00 -0.03 0.00 0.41 -0.54 0.00 0.00 175.26 175.10 3kyf n GLY 169 N 0.94 -1.67 3.64 -1.50 0.00 0.85 -4.76 105.19 102.70 3kyf n GLY 169 Ca -0.00 -1.35 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 3kyf n GLY 169 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kyf s ASN 170 N -4.73 6.73 -0.06 1.61 3.84 -1.26 -2.90 114.94 118.17 3kyf s ASN 170 Ca 0.00 0.90 0.09 0.00 0.21 0.00 0.00 52.86 54.06 3kyf s ASN 170 Cb 0.00 -2.39 0.13 0.00 -0.55 0.00 0.00 41.25 38.44 3kyf s ASN 170 CO 0.00 -0.43 1.03 1.33 -2.79 0.00 0.00 177.10 176.24 3kyf n VAL 171 N 5.13 1.23 -0.18 -5.21 0.24 -1.26 -4.83 118.33 113.46 3kyf n VAL 171 Ca 0.02 -1.41 -0.01 0.00 -2.04 0.00 0.00 64.34 60.91 3kyf n VAL 171 Cb 0.48 0.20 0.08 0.00 -1.47 0.00 0.00 33.84 33.13 3kyf n VAL 171 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3kyf h GLU 172 N 0.00 0.12 0.00 7.34 5.08 -1.93 -1.43 114.58 123.76 3kyf h GLU 172 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3kyf h GLU 172 Cb 0.85 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.08 3kyf h GLU 172 CO 0.00 0.08 0.00 -0.44 -1.00 0.00 0.00 179.01 177.65 3kyf h ASP 173 N 0.12 0.00 0.25 1.42 3.32 -2.00 -1.69 116.42 117.84 3kyf h ASP 173 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 3kyf h ASP 173 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3kyf h ASP 173 CO -0.46 0.00 -0.28 0.54 -1.72 0.00 0.00 179.24 177.32 3kyf n ARG 174 N -2.56 0.80 -4.53 3.56 1.74 -0.54 -4.88 116.66 110.25 3kyf n ARG 174 Ca -0.01 -0.47 -0.24 0.00 -0.77 0.00 0.00 57.85 56.36 3kyf n ARG 174 Cb 0.13 -1.49 -0.11 0.00 -1.02 0.00 0.00 32.46 29.97 3kyf n ARG 174 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3kyf s LEU 175 N -2.53 2.43 -0.10 0.55 1.43 -0.64 -2.21 118.68 117.62 3kyf s LEU 175 Ca 0.23 -1.40 -0.04 0.00 -1.03 0.00 0.00 54.13 51.89 3kyf s LEU 175 Cb 0.19 -0.57 0.05 0.00 0.03 0.00 0.00 46.19 45.88 3kyf s LEU 175 CO 0.53 -0.57 0.21 -1.58 0.23 0.00 0.00 176.35 175.17 3kyf s GLN 176 N -3.82 0.15 0.30 1.70 0.74 -1.26 -4.97 119.66 112.50 3kyf s GLN 176 Ca 0.34 0.52 -0.30 0.00 0.05 0.00 0.00 55.36 55.98 3kyf s GLN 176 Cb 0.09 -0.14 -0.12 0.00 1.10 0.00 0.00 33.01 33.94 3kyf s GLN 176 CO 0.16 -0.19 1.49 1.28 -0.55 0.00 0.00 175.29 177.48 3kyf n LEU 177 N 4.46 3.99 0.00 3.68 4.77 -1.26 -1.15 117.00 131.49 3kyf n LEU 177 Ca -0.21 1.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 3kyf n LEU 177 Cb 0.52 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.07 3kyf n LEU 177 CO 0.13 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 3kyf n GLY 178 N 1.72 2.63 3.77 -0.72 0.00 0.59 -5.00 105.19 108.18 3kyf n GLY 178 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3kyf n GLY 178 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3kyf s GLN 179 N -0.34 3.51 -0.14 1.61 2.00 -0.30 -4.68 119.66 121.32 3kyf s GLN 179 Ca 0.00 1.85 -0.04 0.00 -2.00 0.00 0.00 55.36 55.17 3kyf s GLN 179 Cb 0.00 -2.28 -0.03 0.00 0.80 0.00 0.00 33.01 31.50 3kyf s GLN 179 CO 0.00 -0.78 0.02 0.08 -0.50 0.00 0.00 175.29 174.11 3kyf s VAL 180 N -1.53 4.41 -0.28 1.34 1.01 -1.26 -1.55 120.40 122.55 3kyf s VAL 180 Ca 0.68 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.50 3kyf s VAL 180 Cb -0.31 -2.92 0.07 0.00 0.00 0.00 0.00 36.38 33.22 3kyf s VAL 180 CO 0.36 0.53 -0.06 -0.31 0.00 0.00 0.00 175.10 175.62 3kyf s TYR 181 N -0.17 3.29 -2.11 5.22 2.02 0.66 -4.71 117.35 121.54 3kyf s TYR 181 Ca 0.05 -2.44 0.21 0.00 -0.37 0.00 0.00 57.07 54.53 3kyf s TYR 181 Cb -0.12 -2.15 1.07 0.00 -0.40 0.00 0.00 41.96 40.36 3kyf s TYR 181 CO 0.02 -0.89 1.71 -0.85 -1.57 0.00 0.00 175.55 173.97 3kyf n GLU 182 N 4.41 1.25 -1.91 -0.62 0.00 -1.24 -1.31 120.64 121.23 3kyf n GLU 182 Ca -0.09 -0.38 -0.21 0.00 0.00 0.00 0.00 57.16 56.48 3kyf n GLU 182 Cb 0.42 -1.35 0.04 0.00 0.00 0.00 0.00 31.44 30.55 3kyf n GLU 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3kyf n ARG 183 N -0.43 3.44 -2.51 3.44 5.12 -0.07 -3.61 116.66 122.04 3kyf n ARG 183 Ca 0.16 -4.09 -0.41 0.00 -1.93 0.00 0.00 57.85 51.58 3kyf n ARG 183 Cb 0.16 -2.22 -0.04 0.00 -1.16 0.00 0.00 32.46 29.20 3kyf n ARG 183 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3kyf s PHE 184 N -3.57 3.61 0.09 -1.55 5.36 0.20 -3.45 117.98 118.67 3kyf s PHE 184 Ca 0.50 1.65 0.03 0.00 -0.96 0.00 0.00 56.93 58.15 3kyf s PHE 184 Cb 0.41 -3.26 -0.03 0.00 -0.34 0.00 0.00 43.02 39.79 3kyf s PHE 184 CO 0.03 -0.53 -0.09 0.15 -1.46 0.00 0.00 175.22 173.32 3kyf s LYS 185 N -0.77 0.78 -0.07 10.12 1.02 -0.06 -1.14 119.74 129.63 3kyf s LYS 185 Ca 0.47 -1.11 -0.03 0.00 0.02 0.00 0.00 55.97 55.32 3kyf s LYS 185 Cb -0.30 -0.44 0.04 0.00 -0.52 0.00 0.00 37.83 36.61 3kyf s LYS 185 CO 0.37 0.06 0.16 0.00 -0.92 0.00 0.00 175.35 175.01 3kyf s ALA 186 N -2.42 -0.31 1.00 5.17 0.00 -0.74 -0.77 121.76 123.69 3kyf s ALA 186 Ca 0.03 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.68 3kyf s ALA 186 Cb -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3kyf s ALA 186 CO -0.01 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.01 3kyf n GLY 187 N 4.06 -1.42 3.67 0.00 0.00 0.89 -1.70 105.19 110.69 3kyf n GLY 187 Ca -0.25 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 3kyf n GLY 187 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kyf n ASN 188 N -0.57 2.24 -1.88 1.61 3.02 -1.26 -1.15 115.26 117.27 3kyf n ASN 188 Ca 0.00 1.12 0.07 0.00 -0.03 0.00 0.00 54.58 55.74 3kyf n ASN 188 Cb 0.00 -1.45 0.40 0.00 -0.61 0.00 0.00 39.78 38.12 3kyf n ASN 188 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3kyf n PRO 189 N 0.21 4.86 -0.07 3.52 -0.04 -1.26 -4.71 135.00 137.50 3kyf n PRO 189 Ca 0.07 -3.13 -0.12 0.00 -0.04 0.00 0.00 63.50 60.28 3kyf n PRO 189 Cb 0.38 -2.26 -0.11 0.00 -0.04 0.00 0.00 33.50 31.48 3kyf n PRO 189 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3kyf h LEU 190 N 3.98 0.00 1.12 1.53 3.38 -1.39 -3.49 115.31 120.44 3kyf h LEU 190 Ca 0.00 -0.79 -0.21 0.00 0.09 0.00 0.00 57.88 56.97 3kyf h LEU 190 Cb 1.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.72 3kyf h LEU 190 CO 0.49 0.94 -0.28 0.61 0.09 0.00 0.00 178.44 180.29 3kyf n GLY 191 N 1.63 -0.02 3.75 0.83 0.00 -0.86 -4.97 105.19 105.55 3kyf n GLY 191 Ca -0.10 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 3kyf n GLY 191 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kyf s LEU 192 N -3.16 4.55 0.01 0.99 1.02 -0.69 -4.90 118.68 116.49 3kyf s LEU 192 Ca 0.04 2.14 -0.02 0.00 0.02 0.00 0.00 54.13 56.32 3kyf s LEU 192 Cb -0.02 -3.62 -0.01 0.00 0.02 0.00 0.00 46.19 42.57 3kyf s LEU 192 CO 0.05 -0.12 0.02 0.68 0.02 0.00 0.00 176.35 177.00 3kyf s VAL 193 N -0.82 0.07 -1.33 -1.59 -7.23 -1.26 -1.80 120.40 106.45 3kyf s VAL 193 Ca 0.46 -0.56 -0.11 0.00 -1.81 0.00 0.00 61.98 59.96 3kyf s VAL 193 Cb -0.30 -0.21 0.01 0.00 0.56 0.00 0.00 36.38 36.43 3kyf s VAL 193 CO 0.37 -0.31 0.50 0.47 -0.31 0.00 0.00 175.10 175.82 3kyf n ASP 194 N 2.10 -2.03 -4.84 4.85 8.00 -1.14 -4.94 116.55 118.54 3kyf n ASP 194 Ca -0.20 -1.10 -0.35 0.00 0.71 0.00 0.00 54.79 53.85 3kyf n ASP 194 Cb 0.57 -2.71 -0.06 0.00 -0.02 0.00 0.00 41.12 38.90 3kyf n ASP 194 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kyf s THR 195 N -3.82 5.22 -0.18 -3.53 2.01 -0.29 -4.82 115.64 110.23 3kyf s THR 195 Ca 0.20 -0.02 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 3kyf s THR 195 Cb -0.09 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.06 3kyf s THR 195 CO 0.91 0.52 0.40 -0.32 -0.69 0.00 0.00 174.62 175.44 3kyf s MET 196 N -1.30 4.23 0.04 4.92 1.75 -1.26 -0.63 119.30 127.06 3kyf s MET 196 Ca 0.18 0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.89 3kyf s MET 196 Cb -0.12 -3.50 -0.02 0.00 2.84 0.00 0.00 34.83 34.03 3kyf s MET 196 CO 0.08 0.05 -0.09 0.14 -0.65 0.00 0.00 175.02 174.55 3kyf s VAL 197 N 1.02 0.65 -0.13 10.11 -7.23 -0.43 -1.82 120.40 122.57 3kyf s VAL 197 Ca 0.20 -1.07 0.02 0.00 -1.81 0.00 0.00 61.98 59.32 3kyf s VAL 197 Cb -0.14 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.12 3kyf s VAL 197 CO 0.08 -0.32 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.65 3kyf s GLU 198 N -1.51 3.10 0.01 4.82 2.12 0.48 -0.25 118.70 127.47 3kyf s GLU 198 Ca -0.08 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.13 3kyf s GLU 198 Cb -0.09 -2.46 -0.06 0.00 0.26 0.00 0.00 34.13 31.77 3kyf s GLU 198 CO 0.01 0.06 1.50 -1.17 -0.54 0.00 0.00 175.26 175.12 3kyf s LEU 199 N 0.67 4.33 -0.14 2.70 2.96 -0.59 -1.12 118.68 127.47 3kyf s LEU 199 Ca -0.10 2.22 0.08 0.00 -0.22 0.00 0.00 54.13 56.12 3kyf s LEU 199 Cb -0.16 -3.56 -0.15 0.00 0.50 0.00 0.00 46.19 42.82 3kyf s LEU 199 CO 0.02 -0.80 -0.02 0.54 -1.32 0.00 0.00 176.35 174.78 3kyf n ARG 200 N 5.69 1.39 -3.51 1.98 5.12 0.91 -0.30 116.66 127.96 3kyf n ARG 200 Ca 0.14 0.03 -0.14 0.00 -1.93 0.00 0.00 57.85 55.95 3kyf n ARG 200 Cb 0.43 -1.34 -0.04 0.00 -1.16 0.00 0.00 32.46 30.34 3kyf n ARG 200 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 3kyf s HIS 201 N -2.33 -0.53 0.03 -1.55 -3.43 -1.09 -4.86 115.29 101.54 3kyf s HIS 201 Ca -0.12 0.73 -0.27 0.00 -0.80 0.00 0.00 55.06 54.61 3kyf s HIS 201 Cb 0.05 0.47 0.09 0.00 -1.43 0.00 0.00 32.58 31.75 3kyf s HIS 201 CO 0.50 -0.60 0.79 -0.48 -2.00 0.00 0.00 174.74 172.95 3kyf s LEU 202 N -1.68 -0.45 -0.08 5.38 2.34 -1.26 -0.37 118.68 122.57 3kyf s LEU 202 Ca -0.04 0.07 -0.30 0.00 0.06 0.00 0.00 54.13 53.92 3kyf s LEU 202 Cb -0.00 2.23 0.10 0.00 -0.56 0.00 0.00 46.19 47.95 3kyf s LEU 202 CO 0.01 -0.71 0.83 -1.38 -1.06 0.00 0.00 176.35 174.03 3kyf s HIS 203 N -3.05 -0.50 -0.09 3.48 -3.43 -0.80 -4.99 115.29 105.91 3kyf s HIS 203 Ca 0.02 0.79 -0.02 0.00 -0.80 0.00 0.00 55.06 55.05 3kyf s HIS 203 Cb -0.01 0.45 -0.03 0.00 -1.43 0.00 0.00 32.58 31.56 3kyf s HIS 203 CO -0.08 -0.51 -0.01 -0.47 -2.00 0.00 0.00 174.74 171.67 3kyf s TYR 204 N -1.50 3.13 -0.38 0.38 5.04 -1.26 -1.03 117.35 121.73 3kyf s TYR 204 Ca -0.05 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.73 3kyf s TYR 204 Cb -0.00 -1.80 0.11 0.00 0.35 0.00 0.00 41.96 40.62 3kyf s TYR 204 CO 0.03 0.42 0.14 -1.21 -1.34 0.00 0.00 175.55 173.60 3kyf s GLU 205 N -0.78 1.78 0.18 4.97 2.02 0.11 -4.98 118.70 122.00 3kyf s GLU 205 Ca 0.12 -1.88 -0.13 0.00 0.02 0.00 0.00 54.97 53.10 3kyf s GLU 205 Cb -0.11 -3.41 0.17 0.00 0.10 0.00 0.00 34.13 30.87 3kyf s GLU 205 CO 0.02 -1.02 1.74 0.93 0.02 0.00 0.00 175.26 176.95 3kyf h GLU 206 N 7.80 0.31 -1.01 1.61 5.08 -1.96 -0.27 114.58 126.14 3kyf h GLU 206 Ca -0.09 -0.02 0.34 0.00 -1.00 0.00 0.00 59.36 58.59 3kyf h GLU 206 Cb 1.03 -0.07 -0.15 0.00 0.50 0.00 0.00 28.75 30.06 3kyf h GLU 206 CO 0.62 0.20 0.58 0.00 -1.00 0.00 0.00 179.01 179.41 3kyf h ARG 207 N 0.32 0.27 -0.10 2.33 2.47 -1.96 0.71 114.38 118.42 3kyf h ARG 207 Ca 0.24 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.94 3kyf h ARG 207 Cb 0.27 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 3kyf h ARG 207 CO -0.26 0.18 0.00 0.44 0.56 0.00 0.00 179.97 180.89 3kyf n ILE 208 N -5.06 1.46 -3.91 2.04 -5.35 -1.03 -5.02 119.36 102.49 3kyf n ILE 208 Ca 0.33 -1.52 -0.37 0.00 -0.27 0.00 0.00 62.75 60.92 3kyf n ILE 208 Cb 1.04 0.16 0.02 0.00 -1.74 0.00 0.00 39.64 39.11 3kyf n ILE 208 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3kyf n ASN 209 N -0.62 -4.61 -3.76 7.28 5.15 0.24 -4.83 115.26 114.10 3kyf n ASN 209 Ca 0.10 -1.13 -0.12 0.00 -0.60 0.00 0.00 54.58 52.83 3kyf n ASN 209 Cb 0.49 -1.95 -0.12 0.00 -0.53 0.00 0.00 39.78 37.67 3kyf n ASN 209 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kyf s THR 210 N -3.33 -0.02 -0.12 -0.44 2.01 -0.98 -0.10 115.64 112.66 3kyf s THR 210 Ca 0.32 0.06 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 3kyf s THR 210 Cb -0.16 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 3kyf s THR 210 CO 0.93 0.02 -0.05 0.42 -0.69 0.00 0.00 174.62 175.25 3kyf s THR 211 N 0.62 3.77 0.05 -0.82 -4.23 -0.65 0.06 115.64 114.44 3kyf s THR 211 Ca -0.04 -0.42 0.06 0.00 -1.18 0.00 0.00 61.69 60.10 3kyf s THR 211 Cb -0.05 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 3kyf s THR 211 CO -0.04 0.54 -0.11 -0.36 -0.54 0.00 0.00 174.62 174.11 3kyf s PHE 212 N -0.09 2.75 -0.01 3.99 0.08 -0.20 -1.48 117.98 123.03 3kyf s PHE 212 Ca 0.01 -0.14 -0.05 0.00 0.12 0.00 0.00 56.93 56.88 3kyf s PHE 212 Cb -0.13 -1.51 -0.00 0.00 -0.57 0.00 0.00 43.02 40.81 3kyf s PHE 212 CO 0.03 0.36 0.09 0.00 -0.10 0.00 0.00 175.22 175.60 3kyf s ALA 213 N -1.06 -0.21 -0.13 5.36 0.00 -0.51 -1.91 121.76 123.30 3kyf s ALA 213 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.05 3kyf s ALA 213 Cb -0.11 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 3kyf s ALA 213 CO 0.09 -0.15 -0.14 0.20 0.00 0.00 0.00 175.76 175.77 3kyf s GLY 214 N -0.94 1.52 0.19 0.00 0.00 0.50 0.18 107.32 108.77 3kyf s GLY 214 Ca -0.10 -0.91 0.07 0.00 0.00 0.00 0.00 44.72 43.78 3kyf s GLY 214 CO 0.01 -0.17 -0.13 -1.34 0.00 0.00 0.00 173.10 171.46 3kyf s VAL 215 N 0.40 1.60 -0.09 1.40 -7.23 -0.61 -0.06 120.40 115.81 3kyf s VAL 215 Ca -0.11 -2.17 0.03 0.00 -1.81 0.00 0.00 61.98 57.93 3kyf s VAL 215 Cb -0.16 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.78 3kyf s VAL 215 CO 0.05 -0.63 -0.20 -0.60 -0.31 0.00 0.00 175.10 173.42 3kyf s ARG 216 N -3.65 2.93 0.65 4.82 3.52 -0.28 -2.04 118.95 124.91 3kyf s ARG 216 Ca 0.21 -0.80 -0.13 0.00 -0.13 0.00 0.00 55.73 54.87 3kyf s ARG 216 Cb -0.00 -2.37 -0.01 0.00 -1.56 0.00 0.00 34.95 31.01 3kyf s ARG 216 CO 0.05 0.31 1.06 -0.06 -0.81 0.00 0.00 175.30 175.85 3kyf s PHE 217 N 0.05 3.03 -0.07 5.12 0.08 -0.66 -0.38 117.98 125.15 3kyf s PHE 217 Ca -0.08 1.47 -0.12 0.00 0.12 0.00 0.00 56.93 58.31 3kyf s PHE 217 Cb -0.15 -2.95 0.03 0.00 -0.57 0.00 0.00 43.02 39.38 3kyf s PHE 217 CO 0.05 -1.21 0.30 -1.01 -0.10 0.00 0.00 175.22 173.26 3kyf s HIS 218 N -2.77 -0.25 -1.36 0.36 3.76 -0.75 -4.88 115.29 109.39 3kyf s HIS 218 Ca 0.61 0.54 -0.07 0.00 -0.15 0.00 0.00 55.06 55.99 3kyf s HIS 218 Cb -0.15 0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.64 3kyf s HIS 218 CO 0.47 -0.27 0.45 0.09 -0.85 0.00 0.00 174.74 174.63 3kyf n ASN 219 N 2.11 -1.32 -4.78 1.40 3.02 -1.26 -4.24 115.26 110.18 3kyf n ASN 219 Ca -0.17 -1.07 -0.39 0.00 -0.03 0.00 0.00 54.58 52.92 3kyf n ASN 219 Cb 0.57 -2.81 -0.06 0.00 -0.61 0.00 0.00 39.78 36.87 3kyf n ASN 219 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kyf s LEU 220 N -6.98 4.50 0.85 3.41 1.43 -1.26 -4.91 118.68 115.72 3kyf s LEU 220 Ca 0.12 1.35 -0.12 0.00 -1.03 0.00 0.00 54.13 54.45 3kyf s LEU 220 Cb -0.05 -3.04 0.10 0.00 0.03 0.00 0.00 46.19 43.23 3kyf s LEU 220 CO 0.91 0.17 1.10 -0.94 0.23 0.00 0.00 176.35 177.82 3kyf s SER 221 N -0.67 3.97 0.15 2.29 1.04 -1.26 -4.82 113.70 114.40 3kyf s SER 221 Ca 0.33 1.26 -0.16 0.00 0.48 0.00 0.00 55.95 57.86 3kyf s SER 221 Cb -0.20 -1.95 0.01 0.00 0.10 0.00 0.00 66.02 63.98 3kyf s SER 221 CO 0.21 -2.30 1.76 1.23 0.98 0.00 0.00 173.24 175.12 3kyf h GLY 222 N -1.31 0.63 0.54 7.32 0.00 -1.99 -0.85 103.07 107.40 3kyf h GLY 222 Ca -0.49 -0.28 0.07 0.00 0.00 0.00 0.00 47.33 46.64 3kyf h GLY 222 CO 0.59 0.27 0.23 -1.61 0.00 0.00 0.00 176.54 176.02 3kyf h GLN 223 N 0.55 0.43 -0.66 4.80 4.15 -1.99 0.23 115.11 122.62 3kyf h GLN 223 Ca 0.15 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 3kyf h GLN 223 Cb 0.04 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3kyf h GLN 223 CO -0.03 0.28 0.32 0.00 -1.93 0.00 0.00 178.83 177.48 3kyf h ALA 224 N 1.35 0.84 -0.08 3.38 0.00 -1.82 -1.08 119.26 121.85 3kyf h ALA 224 Ca 0.26 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kyf h ALA 224 Cb 0.26 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kyf h ALA 224 CO -0.24 0.40 0.01 1.96 0.00 0.00 0.00 179.25 181.39 3kyf h GLN 225 N 0.91 0.14 -0.24 0.00 4.20 -0.12 -0.82 115.11 119.17 3kyf h GLN 225 Ca 0.23 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 3kyf h GLN 225 Cb 0.11 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 3kyf h GLN 225 CO -0.03 0.35 0.11 0.00 -0.67 0.00 0.00 178.83 178.59 3kyf h ARG 226 N -0.10 0.33 -0.20 1.46 3.08 -0.49 0.15 114.38 118.62 3kyf h ARG 226 Ca 0.02 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 3kyf h ARG 226 Cb 0.28 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.27 3kyf h ARG 226 CO 0.00 0.27 -0.51 -0.22 -1.07 0.00 0.00 179.97 178.45 3kyf h LYS 227 N 0.34 0.69 -0.10 0.04 3.64 -0.94 -0.68 116.57 119.55 3kyf h LYS 227 Ca 0.09 -0.48 -0.03 0.00 -1.27 0.00 0.00 60.65 58.96 3kyf h LYS 227 Cb 0.06 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3kyf h LYS 227 CO -0.01 1.10 -0.04 0.82 -2.27 0.00 0.00 179.45 179.05 3kyf h ILE 228 N 0.39 1.31 -0.43 2.00 2.04 -0.67 -2.89 117.51 119.26 3kyf h ILE 228 Ca -0.01 -1.03 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 3kyf h ILE 228 Cb 1.12 1.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 3kyf h ILE 228 CO 0.11 0.29 0.08 -0.33 0.00 0.00 0.00 178.15 178.30 3kyf h GLU 229 N -0.15 0.65 0.00 2.37 5.08 -0.75 -1.55 114.58 120.23 3kyf h GLU 229 Ca 0.02 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 3kyf h GLU 229 Cb 0.47 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3kyf h GLU 229 CO 0.01 0.61 -0.51 0.66 -1.00 0.00 0.00 179.01 178.79 3kyf h SER 230 N 0.63 0.00 -0.06 1.42 4.64 -1.13 -1.04 113.55 118.00 3kyf h SER 230 Ca 0.14 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.42 3kyf h SER 230 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3kyf h SER 230 CO 0.00 0.51 -0.12 0.15 -0.87 0.00 0.00 176.83 176.49 3kyf h PHE 231 N 0.00 0.25 -0.53 4.77 3.57 -1.22 -0.41 116.94 123.37 3kyf h PHE 231 Ca -0.01 -0.09 0.09 0.00 3.53 0.00 0.00 57.97 61.49 3kyf h PHE 231 Cb 0.95 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.57 3kyf h PHE 231 CO 0.00 0.71 0.14 0.28 -2.23 0.00 0.00 178.31 177.21 3kyf h VAL 232 N -0.29 0.74 -0.48 1.41 2.07 -1.14 0.43 116.25 118.99 3kyf h VAL 232 Ca 0.00 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3kyf h VAL 232 Cb 0.70 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.87 3kyf h VAL 232 CO 0.03 0.05 0.28 0.22 0.02 0.00 0.00 177.57 178.17 3kyf h TYR 233 N 0.29 0.64 -0.27 1.57 5.03 -1.12 -2.76 116.97 120.35 3kyf h TYR 233 Ca 0.27 -0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.46 3kyf h TYR 233 Cb 0.35 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.41 3kyf h TYR 233 CO -0.21 0.46 -0.29 1.96 -1.32 0.00 0.00 178.16 178.77 3kyf h GLN 234 N 0.64 0.54 -0.77 1.82 4.20 0.22 -2.66 115.11 119.11 3kyf h GLN 234 Ca 0.17 -0.22 0.08 0.00 0.06 0.00 0.00 58.65 58.74 3kyf h GLN 234 Cb 0.01 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.72 3kyf h GLN 234 CO -0.03 0.77 0.50 -0.07 -0.67 0.00 0.00 178.83 179.34 3kyf h LEU 235 N 0.47 0.66 -0.49 1.46 3.38 0.10 -0.43 115.31 120.47 3kyf h LEU 235 Ca 0.06 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3kyf h LEU 235 Cb 0.74 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3kyf h LEU 235 CO 0.06 0.41 -0.34 0.00 0.09 0.00 0.00 178.44 178.66 3kyf n GLN 236 N -4.49 0.76 -0.10 1.13 10.64 -1.14 -3.59 117.38 120.59 3kyf n GLN 236 Ca 0.12 -0.49 -0.04 0.00 -1.83 0.00 0.00 57.00 54.77 3kyf n GLN 236 Cb 0.29 -1.49 0.18 0.00 -0.86 0.00 0.00 30.24 28.35 3kyf n GLN 236 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3kyf h ARG 237 N 1.18 0.76 -0.02 2.61 2.47 -0.71 -3.52 114.38 117.14 3kyf h ARG 237 Ca 0.00 -0.20 0.00 0.00 -1.26 0.00 0.00 59.98 58.52 3kyf h ARG 237 Cb 0.54 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 3kyf h ARG 237 CO 0.00 0.77 0.00 0.39 0.56 0.00 0.00 179.97 181.69