#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ofy n ALA 2 N 0.00 0.02 -1.82 0.00 0.00 -1.26 -5.17 120.51 112.27 1ofy n ALA 2 Ca 0.00 -0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 1ofy n ALA 2 Cb 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 1ofy n ALA 2 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ofy s LEU 3 N 0.00 3.77 0.13 0.00 1.43 -1.26 -5.01 118.68 117.74 1ofy s LEU 3 Ca 0.00 1.65 -0.31 0.00 -1.03 0.00 0.00 54.13 54.44 1ofy s LEU 3 Cb 0.00 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.61 1ofy s LEU 3 CO 0.00 -0.52 1.41 -0.70 0.23 0.00 0.00 176.35 176.77 1ofy s GLU 4 N -3.65 4.31 0.64 1.70 2.12 -1.26 -4.98 118.70 117.58 1ofy s GLU 4 Ca 0.61 2.13 -0.17 0.00 0.36 0.00 0.00 54.97 57.89 1ofy s GLU 4 Cb -0.10 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 31.05 1ofy s GLU 4 CO 0.23 -0.45 1.19 -2.14 -0.54 0.00 0.00 175.26 173.54 1ofy s PRO 5 N 0.99 2.73 0.34 4.30 0.02 -1.26 -4.68 135.00 137.44 1ofy s PRO 5 Ca 0.65 1.72 -0.09 0.00 0.02 0.00 0.00 61.00 63.30 1ofy s PRO 5 Cb -0.38 -1.91 -0.06 0.00 0.02 0.00 0.00 34.50 32.17 1ofy s PRO 5 CO 0.31 -1.37 0.67 0.95 -0.33 0.00 0.00 177.00 177.23 1ofy s THR 6 N -1.85 4.88 0.21 0.99 -4.23 -1.26 -5.00 115.64 109.38 1ofy s THR 6 Ca 0.74 0.43 -0.03 0.00 -1.18 0.00 0.00 61.69 61.65 1ofy s THR 6 Cb -0.28 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.85 1ofy s THR 6 CO 0.38 -0.38 1.59 0.44 -0.54 0.00 0.00 174.62 176.11 1ofy h ASP 7 N 1.61 0.67 0.87 3.99 3.32 -1.96 -3.29 116.42 121.63 1ofy h ASP 7 Ca -0.47 -0.28 -0.03 0.00 0.02 0.00 0.00 57.03 56.26 1ofy h ASP 7 Cb 1.19 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.54 1ofy h ASP 7 CO 0.65 0.97 -0.15 0.77 -1.72 0.00 0.00 179.24 179.76 1ofy h SER 8 N 0.54 0.00 0.00 6.45 4.64 -2.01 -3.46 113.55 119.71 1ofy h SER 8 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1ofy h SER 8 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1ofy h SER 8 CO 0.07 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 1ofy n GLY 9 N 0.00 1.70 3.78 -0.77 0.00 -1.24 -5.05 105.19 103.61 1ofy n GLY 9 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1ofy n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ofy s ALA 10 N -2.39 2.35 0.65 4.61 0.00 -1.26 -4.97 121.76 120.74 1ofy s ALA 10 Ca 0.00 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 52.03 1ofy s ALA 10 Cb 0.00 -3.25 -0.00 0.00 0.00 0.00 0.00 23.12 19.86 1ofy s ALA 10 CO 0.00 -1.65 1.18 -2.14 0.00 0.00 0.00 175.76 173.15 1ofy s PRO 11 N -4.92 2.66 0.15 0.00 0.02 -1.26 -4.48 135.00 127.17 1ofy s PRO 11 Ca 0.61 1.70 -0.13 0.00 0.02 0.00 0.00 61.00 63.19 1ofy s PRO 11 Cb -0.17 -1.90 0.02 0.00 0.02 0.00 0.00 34.50 32.47 1ofy s PRO 11 CO 0.56 -1.42 1.64 1.03 -0.33 0.00 0.00 177.00 178.47 1ofy h SER 12 N 0.30 0.78 -4.36 2.53 0.87 -1.94 -3.41 113.55 108.33 1ofy h SER 12 Ca -0.49 -0.26 -0.29 0.00 -1.23 0.00 0.00 61.79 59.52 1ofy h SER 12 Cb 1.28 -0.21 -0.25 0.00 -0.44 0.00 0.00 62.40 62.79 1ofy h SER 12 CO 0.53 0.84 -0.74 0.00 -0.53 0.00 0.00 176.83 176.93 1ofy s ALA 13 N -5.20 0.48 -0.04 6.23 0.00 -1.26 -1.32 121.76 120.64 1ofy s ALA 13 Ca -0.13 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1ofy s ALA 13 Cb 0.11 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.24 1ofy s ALA 13 CO 0.80 0.03 -0.02 0.42 0.00 0.00 0.00 175.76 177.00 1ofy s ILE 14 N -0.78 0.37 -0.08 0.00 1.01 -0.47 -4.70 121.20 116.54 1ofy s ILE 14 Ca -0.05 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.31 1ofy s ILE 14 Cb -0.06 -0.45 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 1ofy s ILE 14 CO 0.00 0.20 1.17 -0.69 0.00 0.00 0.00 174.94 175.62 1ofy s VAL 15 N 1.17 4.36 -0.19 2.92 1.01 -1.26 -0.74 120.40 127.67 1ofy s VAL 15 Ca -0.07 1.67 -0.09 0.00 0.00 0.00 0.00 61.98 63.48 1ofy s VAL 15 Cb -0.14 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 1ofy s VAL 15 CO -0.02 -0.02 0.11 -0.04 0.00 0.00 0.00 175.10 175.13 1ofy s MET 16 N 2.36 4.05 0.28 2.72 1.00 0.16 -4.95 119.30 124.92 1ofy s MET 16 Ca 0.54 -0.25 0.10 0.00 0.00 0.00 0.00 55.69 56.09 1ofy s MET 16 Cb -0.23 -3.34 -0.05 0.00 0.00 0.00 0.00 34.83 31.22 1ofy s MET 16 CO 0.20 0.34 -0.07 -0.06 0.00 0.00 0.00 175.02 175.43 1ofy s PHE 17 N 0.21 2.53 -1.27 -0.03 0.08 -1.26 -1.79 117.98 116.45 1ofy s PHE 17 Ca 0.07 -0.29 -0.19 0.00 0.12 0.00 0.00 56.93 56.64 1ofy s PHE 17 Cb -0.11 -1.16 0.05 0.00 -0.57 0.00 0.00 43.02 41.22 1ofy s PHE 17 CO -0.01 0.64 1.75 -1.25 -0.10 0.00 0.00 175.22 176.24 1ofy s PRO 18 N -3.62 3.79 -0.19 0.24 0.04 -1.26 -4.95 135.00 129.05 1ofy s PRO 18 Ca 0.31 -1.85 -0.29 0.00 0.04 0.00 0.00 61.00 59.22 1ofy s PRO 18 Cb -0.05 -5.49 -0.00 0.00 0.04 0.00 0.00 34.50 28.99 1ofy s PRO 18 CO 0.18 -2.46 1.14 0.08 0.04 0.00 0.00 177.00 175.98 1ofy s VAL 19 N 5.09 4.49 0.35 -0.36 1.01 -1.26 -4.82 120.40 124.89 1ofy s VAL 19 Ca 0.55 1.80 -0.09 0.00 0.00 0.00 0.00 61.98 64.24 1ofy s VAL 19 Cb 0.03 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.27 1ofy s VAL 19 CO 0.08 -0.15 0.60 -0.83 0.00 0.00 0.00 175.10 174.80 1ofy s GLY 20 N 1.55 0.95 -0.03 4.51 0.00 -1.26 -0.95 107.32 112.10 1ofy s GLY 20 Ca 0.49 -1.15 -0.18 0.00 0.00 0.00 0.00 44.72 43.88 1ofy s GLY 20 CO 0.11 -0.69 0.87 1.05 0.00 0.00 0.00 173.10 174.44 1ofy h GLU 21 N 2.08 0.39 -6.67 2.90 4.11 -1.95 -3.46 114.58 111.97 1ofy h GLU 21 Ca -0.29 -0.66 -0.52 0.00 0.07 0.00 0.00 59.36 57.95 1ofy h GLU 21 Cb 1.24 0.25 0.06 0.00 0.50 0.00 0.00 28.75 30.80 1ofy h GLU 21 CO 0.39 1.32 1.01 1.63 0.07 0.00 0.00 179.01 183.42 1ofy n LYS 22 N -3.91 2.78 -1.75 1.06 5.02 -1.26 -4.94 118.16 115.16 1ofy n LYS 22 Ca -0.17 1.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.70 1ofy n LYS 22 Cb 0.95 -2.85 -0.01 0.00 -0.02 0.00 0.00 35.03 33.11 1ofy n LYS 22 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1ofy n PRO 23 N 3.87 2.65 -3.04 1.97 -0.02 -1.26 -4.97 135.00 134.20 1ofy n PRO 23 Ca 0.16 0.93 -0.23 0.00 -2.02 0.00 0.00 63.50 62.34 1ofy n PRO 23 Cb 0.35 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.11 1ofy n PRO 23 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1ofy n ASN 24 N 1.39 2.86 0.25 2.55 2.85 -1.26 -4.95 115.26 118.95 1ofy n ASN 24 Ca 0.05 -3.38 0.10 0.00 -0.11 0.00 0.00 54.58 51.25 1ofy n ASN 24 Cb 0.37 -0.58 0.67 0.00 1.24 0.00 0.00 39.78 41.48 1ofy n ASN 24 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ofy h PRO 25 N 2.98 0.00 -0.01 1.20 0.13 -1.99 0.47 132.00 134.77 1ofy h PRO 25 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ofy h PRO 25 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1ofy h PRO 25 CO 0.68 0.13 -0.02 1.63 -0.23 0.00 0.00 178.00 180.18 1ofy n LYS 26 N -3.91 1.45 -3.20 0.86 5.02 -1.26 -4.92 118.16 112.20 1ofy n LYS 26 Ca -0.02 -0.73 -0.17 0.00 -2.02 0.00 0.00 58.31 55.37 1ofy n LYS 26 Cb 0.22 -1.48 0.05 0.00 -0.02 0.00 0.00 35.03 33.80 1ofy n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ofy n GLY 27 N 1.16 -0.15 3.56 0.72 0.00 0.15 -4.89 105.19 105.74 1ofy n GLY 27 Ca 0.19 -0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1ofy n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ofy s ALA 28 N -3.19 2.54 -0.05 4.61 0.00 -1.26 -4.89 121.76 119.51 1ofy s ALA 28 Ca 0.39 -0.94 -0.31 0.00 0.00 0.00 0.00 51.96 51.10 1ofy s ALA 28 Cb -0.17 -4.24 0.12 0.00 0.00 0.00 0.00 23.12 18.82 1ofy s ALA 28 CO 0.48 -3.45 1.18 0.00 0.00 0.00 0.00 175.76 173.96 1ofy s ALA 29 N 7.12 -2.06 0.90 0.00 0.00 -1.26 -5.09 121.76 121.38 1ofy s ALA 29 Ca 0.51 0.97 -0.10 0.00 0.00 0.00 0.00 51.96 53.34 1ofy s ALA 29 Cb -0.11 0.24 0.14 0.00 0.00 0.00 0.00 23.12 23.39 1ofy s ALA 29 CO 0.19 -0.86 1.14 -1.64 0.00 0.00 0.00 175.76 174.59 1ofy s MET 30 N -2.61 1.12 0.58 0.00 -1.94 -1.26 -4.98 119.30 110.21 1ofy s MET 30 Ca 0.11 1.48 -0.20 0.00 -1.71 0.00 0.00 55.69 55.37 1ofy s MET 30 Cb 0.01 -1.74 -0.05 0.00 2.01 0.00 0.00 34.83 35.06 1ofy s MET 30 CO -0.04 -2.54 1.16 1.63 -0.01 0.00 0.00 175.02 175.22 1ofy n LYS 31 N -4.16 1.23 -1.30 2.03 5.02 -1.26 -4.97 118.16 114.76 1ofy n LYS 31 Ca 0.11 0.47 -0.30 0.00 -2.02 0.00 0.00 58.31 56.56 1ofy n LYS 31 Cb 0.52 -2.36 0.11 0.00 -0.02 0.00 0.00 35.03 33.28 1ofy n LYS 31 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1ofy s PRO 32 N -2.85 1.91 -0.23 1.97 0.02 -1.26 -4.60 135.00 129.96 1ofy s PRO 32 Ca 0.75 0.96 -0.07 0.00 0.02 0.00 0.00 61.00 62.66 1ofy s PRO 32 Cb -0.42 -1.87 -0.03 0.00 0.02 0.00 0.00 34.50 32.20 1ofy s PRO 32 CO 0.47 -1.83 0.05 0.08 -0.33 0.00 0.00 177.00 175.45 1ofy s VAL 33 N -2.96 4.22 -0.42 3.83 1.01 -0.74 -2.63 120.40 122.71 1ofy s VAL 33 Ca 0.62 -0.21 -0.21 0.00 0.00 0.00 0.00 61.98 62.18 1ofy s VAL 33 Cb -0.17 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.27 1ofy s VAL 33 CO 0.56 0.37 0.64 -0.69 0.00 0.00 0.00 175.10 175.98 1ofy s VAL 34 N 1.41 4.84 -0.20 2.92 1.01 -1.25 0.40 120.40 129.53 1ofy s VAL 34 Ca 0.05 0.21 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 1ofy s VAL 34 Cb -0.15 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1ofy s VAL 34 CO 0.03 -0.53 0.41 0.12 0.00 0.00 0.00 175.10 175.13 1ofy s PHE 35 N 2.79 3.38 -0.84 5.22 5.36 0.08 -4.89 117.98 129.09 1ofy s PHE 35 Ca 0.23 0.65 -0.21 0.00 -0.96 0.00 0.00 56.93 56.64 1ofy s PHE 35 Cb -0.14 -2.54 0.10 0.00 -0.34 0.00 0.00 43.02 40.09 1ofy s PHE 35 CO 0.18 -0.01 1.11 1.21 -1.46 0.00 0.00 175.22 176.26 1ofy s ASN 36 N 1.02 6.44 0.22 6.13 3.84 -1.26 -1.37 114.94 129.96 1ofy s ASN 36 Ca 0.20 -1.56 -0.05 0.00 0.21 0.00 0.00 52.86 51.65 1ofy s ASN 36 Cb -0.15 -2.43 0.21 0.00 -0.55 0.00 0.00 41.25 38.33 1ofy s ASN 36 CO 0.08 -1.27 1.72 -0.74 -2.79 0.00 0.00 177.10 174.10 1ofy h HIS 37 N 9.24 1.03 0.22 0.43 -0.00 -1.43 -2.72 115.15 121.92 1ofy h HIS 37 Ca -0.00 -0.15 0.01 0.00 -0.00 0.00 0.00 60.37 60.23 1ofy h HIS 37 Cb 1.04 -0.28 -0.03 0.00 -0.00 0.00 0.00 27.41 28.14 1ofy h HIS 37 CO 1.11 0.90 -0.37 1.25 -0.00 0.00 0.00 177.93 180.82 1ofy h LEU 38 N 0.90 -1.03 -0.90 0.26 5.85 -1.53 0.75 115.31 119.60 1ofy h LEU 38 Ca 0.17 0.11 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 1ofy h LEU 38 Cb 0.46 0.37 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1ofy h LEU 38 CO 0.02 -0.47 -0.46 0.16 -0.34 0.00 0.00 178.44 177.35 1ofy h ILE 39 N -0.66 1.33 -0.31 4.05 -0.00 -1.83 -2.15 117.51 117.94 1ofy h ILE 39 Ca 0.00 -1.62 -0.13 0.00 -0.00 0.00 0.00 64.86 63.11 1ofy h ILE 39 Cb 0.65 1.77 -0.01 0.00 -0.00 0.00 0.00 36.82 39.23 1ofy h ILE 39 CO -0.15 0.48 -0.34 0.45 -0.00 0.00 0.00 178.15 178.59 1ofy h HIS 40 N 0.17 0.82 0.00 0.16 3.86 -1.14 -2.33 115.15 116.69 1ofy h HIS 40 Ca 0.01 -0.22 -0.14 0.00 -1.16 0.00 0.00 60.37 58.85 1ofy h HIS 40 Cb 0.88 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.14 1ofy h HIS 40 CO 0.01 0.95 -0.69 1.05 0.86 0.00 0.00 177.93 180.11 1ofy h GLU 41 N 0.59 0.00 -0.27 2.45 4.11 -0.57 0.05 114.58 120.94 1ofy h GLU 41 Ca 0.06 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.40 1ofy h GLU 41 Cb 0.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1ofy h GLU 41 CO 0.08 0.69 -0.23 0.87 0.07 0.00 0.00 179.01 180.48 1ofy h LYS 42 N 0.00 0.50 0.07 1.06 1.57 -1.30 -3.31 116.57 115.16 1ofy h LYS 42 Ca -0.01 -0.18 -0.30 0.00 -1.87 0.00 0.00 60.65 58.30 1ofy h LYS 42 Cb 1.24 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.49 1ofy h LYS 42 CO 0.09 0.70 -1.55 -0.22 -0.57 0.00 0.00 179.45 177.90 1ofy h LYS 43 N 0.44 0.16 -4.89 3.15 1.63 -0.84 -3.44 116.57 112.79 1ofy h LYS 43 Ca 0.07 -0.27 -0.66 0.00 -0.85 0.00 0.00 60.65 58.94 1ofy h LYS 43 Cb 0.65 0.10 -0.22 0.00 -0.60 0.00 0.00 32.23 32.16 1ofy h LYS 43 CO 0.05 0.96 -0.59 0.42 -3.45 0.00 0.00 179.45 176.83 1ofy s ILE 44 N -2.62 4.49 0.04 2.00 -1.09 -0.05 -5.01 121.20 118.96 1ofy s ILE 44 Ca -0.08 -0.23 -0.19 0.00 -2.23 0.00 0.00 60.65 57.92 1ofy s ILE 44 Cb 0.07 -3.17 -0.09 0.00 -1.58 0.00 0.00 42.46 37.69 1ofy s ILE 44 CO 0.83 0.24 1.29 -2.24 -1.23 0.00 0.00 174.94 173.83 1ofy h ASP 45 N 8.28 -0.72 -3.38 3.58 2.03 -1.86 -3.43 116.42 120.92 1ofy h ASP 45 Ca -0.36 0.06 -0.60 0.00 -0.73 0.00 0.00 57.03 55.40 1ofy h ASP 45 Cb 1.17 0.23 -0.10 0.00 -0.83 0.00 0.00 39.33 39.80 1ofy h ASP 45 CO 0.59 -0.36 0.31 0.21 -1.03 0.00 0.00 179.24 178.96 1ofy s ASN 46 N -3.32 6.71 0.33 4.15 2.47 -1.26 -4.93 114.94 119.09 1ofy s ASN 46 Ca -0.09 0.87 0.10 0.00 0.42 0.00 0.00 52.86 54.16 1ofy s ASN 46 Cb 0.02 -2.39 0.87 0.00 -1.45 0.00 0.00 41.25 38.31 1ofy s ASN 46 CO 0.31 -0.44 1.76 0.00 -3.72 0.00 0.00 177.10 175.02 1ofy n GLU 48 N -4.77 1.77 -0.12 0.00 0.28 -1.26 -1.29 120.64 115.25 1ofy n GLU 48 Ca 0.25 -1.15 -0.05 0.00 -0.16 0.00 0.00 57.16 56.05 1ofy n GLU 48 Cb 0.69 -1.42 0.01 0.00 1.43 0.00 0.00 31.44 32.15 1ofy n GLU 48 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 1ofy h THR 49 N 2.42 0.56 0.00 3.84 2.02 -1.73 -3.14 112.91 116.89 1ofy h THR 49 Ca 0.00 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.06 1ofy h THR 49 Cb 0.53 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1ofy h THR 49 CO 0.00 0.00 -0.82 0.00 0.37 0.00 0.00 175.52 175.07 1ofy n HIS 51 N -4.53 3.65 0.31 0.00 8.25 -0.41 -4.73 115.22 117.75 1ofy n HIS 51 Ca -0.20 -2.63 0.16 0.00 -0.26 0.00 0.00 57.72 54.79 1ofy n HIS 51 Cb 0.49 -2.49 0.72 0.00 1.12 0.00 0.00 29.99 29.82 1ofy n HIS 51 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 1ofy h HIS 52 N 7.17 0.00 -0.40 4.41 -0.00 -1.75 -1.18 115.15 123.41 1ofy h HIS 52 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.84 1ofy h HIS 52 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.17 1ofy h HIS 52 CO 1.40 0.00 0.00 0.25 -0.00 0.00 0.00 177.93 179.58 1ofy n THR 53 N -2.76 0.52 -0.86 6.12 -2.24 -1.26 -4.57 114.28 109.24 1ofy n THR 53 Ca 0.00 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1ofy n THR 53 Cb 0.21 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1ofy n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ofy n GLY 54 N 1.39 0.55 3.63 3.38 0.00 -0.44 -4.99 105.19 108.70 1ofy n GLY 54 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1ofy n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ofy s ASP 55 N -2.48 6.39 -1.38 1.61 1.01 -1.26 -4.93 116.67 115.62 1ofy s ASP 55 Ca 0.00 0.46 -0.14 0.00 0.71 0.00 0.00 52.55 53.58 1ofy s ASP 55 Cb 0.00 -2.25 -0.01 0.00 1.01 0.00 0.00 42.92 41.67 1ofy s ASP 55 CO 0.00 -0.21 2.31 -0.81 0.21 0.00 0.00 175.17 176.67 1ofy n PRO 56 N 5.22 2.78 -4.13 8.23 -0.04 -1.26 -4.84 135.00 140.96 1ofy n PRO 56 Ca -0.06 -2.40 -0.09 0.00 -0.04 0.00 0.00 63.50 60.91 1ofy n PRO 56 Cb 0.50 -3.13 -0.10 0.00 -0.04 0.00 0.00 33.50 30.73 1ofy n PRO 56 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ofy s VAL 57 N 3.28 0.48 0.14 0.52 -7.23 -1.26 -5.11 120.40 111.22 1ofy s VAL 57 Ca 0.52 -1.84 -0.35 0.00 -1.81 0.00 0.00 61.98 58.51 1ofy s VAL 57 Cb 0.15 -1.55 -0.15 0.00 0.56 0.00 0.00 36.38 35.38 1ofy s VAL 57 CO -0.06 -0.90 1.45 -1.20 -0.31 0.00 0.00 175.10 174.08 1ofy n SER 58 N 0.10 2.44 -0.34 4.85 7.64 -1.26 -4.85 113.62 122.20 1ofy n SER 58 Ca -0.13 1.10 0.14 0.00 1.01 0.00 0.00 58.87 60.99 1ofy n SER 58 Cb 0.61 -1.33 0.35 0.00 -1.01 0.00 0.00 64.21 62.82 1ofy n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ofy n SER 60 N -4.74 0.06 0.17 0.00 3.41 -1.26 -0.71 113.62 110.56 1ofy n SER 60 Ca 0.23 0.52 0.05 0.00 -0.26 0.00 0.00 58.87 59.41 1ofy n SER 60 Cb 0.60 -0.53 0.50 0.00 -0.26 0.00 0.00 64.21 64.51 1ofy n SER 60 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1ofy h THR 61 N 0.00 1.11 0.00 6.66 1.35 -1.47 -3.26 112.91 117.29 1ofy h THR 61 Ca 0.00 -0.45 -0.12 0.00 -0.55 0.00 0.00 66.41 65.29 1ofy h THR 61 Cb 0.21 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 1ofy h THR 61 CO 0.00 0.14 -1.48 0.00 -0.25 0.00 0.00 175.52 173.93 1ofy s HIS 63 N -2.18 3.44 0.40 0.00 3.76 0.11 -3.15 115.29 117.67 1ofy s HIS 63 Ca -0.03 -1.57 0.08 0.00 -0.15 0.00 0.00 55.06 53.38 1ofy s HIS 63 Cb 0.02 -3.79 0.00 0.00 1.11 0.00 0.00 32.58 29.93 1ofy s HIS 63 CO 0.29 -1.01 0.54 0.95 -0.85 0.00 0.00 174.74 174.66 1ofy s THR 64 N 1.07 3.29 0.25 1.30 -4.23 -1.26 -4.06 115.64 111.99 1ofy s THR 64 Ca 0.08 -1.00 -0.04 0.00 -1.18 0.00 0.00 61.69 59.56 1ofy s THR 64 Cb -0.23 -3.11 0.22 0.00 1.34 0.00 0.00 72.50 70.72 1ofy s THR 64 CO -0.01 -0.04 1.82 0.58 -0.54 0.00 0.00 174.62 176.43 1ofy h VAL 65 N 0.71 0.95 0.00 2.29 2.07 -1.39 -1.04 116.25 119.83 1ofy h VAL 65 Ca -0.42 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 1ofy h VAL 65 Cb 1.27 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 1ofy h VAL 65 CO 0.47 0.16 -0.96 1.05 0.02 0.00 0.00 177.57 178.31 1ofy h GLU 66 N 0.86 0.00 0.00 1.57 9.09 -1.96 -3.40 114.58 120.74 1ofy h GLU 66 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.81 1ofy h GLU 66 Cb 0.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.42 1ofy h GLU 66 CO -0.23 0.19 0.00 0.41 0.05 0.00 0.00 179.01 179.43 1ofy n GLY 67 N 1.26 1.35 3.69 1.06 0.00 -0.81 -4.85 105.19 106.88 1ofy n GLY 67 Ca -0.03 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 1ofy n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ofy s LYS 68 N -3.71 1.81 0.26 1.61 -2.85 -1.26 -4.86 119.74 110.75 1ofy s LYS 68 Ca 0.00 -1.30 -0.00 0.00 -1.00 0.00 0.00 55.97 53.66 1ofy s LYS 68 Cb 0.00 0.54 0.35 0.00 -2.06 0.00 0.00 37.83 36.65 1ofy s LYS 68 CO 0.00 -0.80 1.72 0.00 0.10 0.00 0.00 175.35 176.37 1ofy h ALA 69 N 2.11 1.06 0.00 0.59 0.00 -1.93 0.88 119.26 121.98 1ofy h ALA 69 Ca -0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 1ofy h ALA 69 Cb 1.25 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 1ofy h ALA 69 CO 0.34 0.57 -0.03 0.93 0.00 0.00 0.00 179.25 181.06 1ofy h GLU 70 N 0.57 0.00 -0.14 0.00 3.07 -1.93 -0.50 114.58 115.65 1ofy h GLU 70 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.95 1ofy h GLU 70 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1ofy h GLU 70 CO 0.04 0.03 0.00 0.41 -1.40 0.00 0.00 179.01 178.09 1ofy n GLY 71 N -1.06 3.96 2.97 -3.84 0.00 -1.01 -4.86 105.19 101.36 1ofy n GLY 71 Ca -0.03 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.98 1ofy n GLY 71 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ofy n ASN 72 N -0.68 -5.90 -0.98 1.61 5.03 -0.20 -1.84 115.26 112.30 1ofy n ASN 72 Ca 0.14 -0.26 -0.13 0.00 0.87 0.00 0.00 54.58 55.21 1ofy n ASN 72 Cb 0.62 -4.79 -0.05 0.00 -1.02 0.00 0.00 39.78 34.54 1ofy n ASN 72 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1ofy n TYR 73 N -4.40 0.00 -2.55 3.10 4.02 0.30 -4.93 117.16 112.70 1ofy n TYR 73 Ca -0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.34 1ofy n TYR 73 Cb 0.62 -2.62 -0.02 0.00 -0.02 0.00 0.00 39.34 37.30 1ofy n TYR 73 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1ofy s ILE 74 N -2.25 4.39 0.88 -0.72 -1.09 -0.77 -4.70 121.20 116.93 1ofy s ILE 74 Ca 0.00 1.62 -0.12 0.00 -2.23 0.00 0.00 60.65 59.92 1ofy s ILE 74 Cb 0.00 -4.26 0.12 0.00 -1.58 0.00 0.00 42.46 36.73 1ofy s ILE 74 CO 0.00 -0.39 1.11 0.42 -1.23 0.00 0.00 174.94 174.86 1ofy s THR 75 N 3.77 2.45 0.15 2.92 -4.23 -1.26 -4.46 115.64 114.98 1ofy s THR 75 Ca 0.50 0.15 -0.23 0.00 -1.18 0.00 0.00 61.69 60.92 1ofy s THR 75 Cb -0.15 -2.85 0.03 0.00 1.34 0.00 0.00 72.50 70.87 1ofy s THR 75 CO 0.16 -0.19 1.62 0.25 -0.54 0.00 0.00 174.62 175.92 1ofy h LEU 76 N -1.39 -0.90 -0.48 4.79 5.85 -1.37 0.53 115.31 122.34 1ofy h LEU 76 Ca -0.50 0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.48 1ofy h LEU 76 Cb 1.30 0.42 -0.09 0.00 0.37 0.00 0.00 40.66 42.66 1ofy h LEU 76 CO 0.60 -0.30 -0.12 -0.78 -0.34 0.00 0.00 178.44 177.50 1ofy h ASP 77 N -0.27 -0.45 -0.35 1.25 3.58 -1.85 0.10 116.42 118.44 1ofy h ASP 77 Ca 0.14 0.14 -0.03 0.00 0.42 0.00 0.00 57.03 57.70 1ofy h ASP 77 Cb 0.50 0.30 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 1ofy h ASP 77 CO -0.43 -0.16 0.09 -0.09 -2.88 0.00 0.00 179.24 175.77 1ofy h ARG 78 N 0.00 0.56 -0.26 0.28 9.65 -1.77 -1.83 114.38 121.01 1ofy h ARG 78 Ca 0.23 -0.13 -0.07 0.00 -1.10 0.00 0.00 59.98 58.91 1ofy h ARG 78 Cb 0.35 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 1ofy h ARG 78 CO -0.50 0.61 -0.13 0.00 2.80 0.00 0.00 179.97 182.75 1ofy h ALA 79 N 0.93 1.30 0.00 2.80 0.00 -0.22 0.43 119.26 124.49 1ofy h ALA 79 Ca 0.11 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 1ofy h ALA 79 Cb 0.29 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1ofy h ALA 79 CO 0.00 0.47 -1.46 0.52 0.00 0.00 0.00 179.25 178.78 1ofy h MET 80 N 0.40 0.00 -0.00 0.00 2.86 -0.88 -3.39 114.93 113.92 1ofy h MET 80 Ca 0.08 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 1ofy h MET 80 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1ofy h MET 80 CO 0.03 0.44 0.00 0.72 1.06 0.00 0.00 176.91 179.16 1ofy n HIS 81 N -3.01 0.00 -1.66 -0.22 8.25 -0.70 -2.10 115.22 115.78 1ofy n HIS 81 Ca -0.11 -0.03 -0.45 0.00 -0.26 0.00 0.00 57.72 56.86 1ofy n HIS 81 Cb 0.93 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 32.01 1ofy n HIS 81 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ofy n ALA 82 N 0.03 0.87 -0.01 -1.41 0.00 0.13 -4.67 120.51 115.46 1ofy n ALA 82 Ca 0.01 0.41 0.01 0.00 0.00 0.00 0.00 53.44 53.86 1ofy n ALA 82 Cb 0.04 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.23 1ofy n ALA 82 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ofy n THR 83 N 1.62 0.09 -2.92 0.00 -2.24 -1.26 -3.47 114.28 106.10 1ofy n THR 83 Ca 0.11 -0.12 -0.39 0.00 -2.27 0.00 0.00 64.05 61.38 1ofy n THR 83 Cb 0.31 -0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1ofy n THR 83 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ofy n ASN 84 N -1.82 6.25 -4.60 3.42 6.94 -1.26 -4.93 115.26 119.26 1ofy n ASN 84 Ca -0.03 -3.54 -0.40 0.00 -0.02 0.00 0.00 54.58 50.59 1ofy n ASN 84 Cb 0.29 -1.10 -0.07 0.00 -2.36 0.00 0.00 39.78 36.54 1ofy n ASN 84 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1ofy s ILE 85 N -3.45 5.03 0.24 1.53 1.01 -1.26 -5.03 121.20 119.27 1ofy s ILE 85 Ca 0.37 0.79 -0.30 0.00 0.00 0.00 0.00 60.65 61.51 1ofy s ILE 85 Cb 0.13 -3.89 -0.10 0.00 0.01 0.00 0.00 42.46 38.62 1ofy s ILE 85 CO -0.01 -0.01 1.35 0.00 0.00 0.00 0.00 174.94 176.27 1ofy s ALA 86 N 2.39 3.56 0.16 9.38 0.00 -1.26 -4.96 121.76 131.03 1ofy s ALA 86 Ca 0.22 1.21 -0.31 0.00 0.00 0.00 0.00 51.96 53.08 1ofy s ALA 86 Cb -0.15 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.36 1ofy s ALA 86 CO 0.10 -0.62 1.59 0.21 0.00 0.00 0.00 175.76 177.04 1ofy s LYS 87 N -0.54 4.21 -0.35 0.00 2.47 -1.26 -4.89 119.74 119.38 1ofy s LYS 87 Ca 0.56 2.38 -0.28 0.00 -1.56 0.00 0.00 55.97 57.07 1ofy s LYS 87 Cb -0.39 -3.21 0.02 0.00 -1.46 0.00 0.00 37.83 32.79 1ofy s LYS 87 CO 0.43 -0.63 1.02 1.03 0.16 0.00 0.00 175.35 177.35 1ofy s ARG 88 N 1.35 3.95 0.59 4.03 3.00 -1.26 -4.94 118.95 125.67 1ofy s ARG 88 Ca 0.71 0.83 0.29 0.00 0.00 0.00 0.00 55.73 57.56 1ofy s ARG 88 Cb -0.44 -3.78 1.51 0.00 0.00 0.00 0.00 34.95 32.25 1ofy s ARG 88 CO 0.31 -0.96 1.93 0.00 0.00 0.00 0.00 175.30 176.59 1ofy h ALA 89 N 8.34 2.08 -3.11 2.13 0.00 -1.96 -3.41 119.26 123.33 1ofy h ALA 89 Ca -0.22 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.51 1ofy h ALA 89 Cb 1.07 0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.62 1ofy h ALA 89 CO 1.02 -0.63 -0.44 0.21 0.00 0.00 0.00 179.25 179.41 1ofy s LYS 90 N -4.60 0.27 0.53 0.00 2.47 -1.26 -5.12 119.74 112.03 1ofy s LYS 90 Ca -0.04 0.38 0.00 0.00 -1.56 0.00 0.00 55.97 54.75 1ofy s LYS 90 Cb 0.15 0.09 0.00 0.00 -1.46 0.00 0.00 37.83 36.61 1ofy s LYS 90 CO 0.54 -0.06 0.00 0.41 0.16 0.00 0.00 175.35 176.40 1ofy n GLY 91 N 3.20 -2.12 3.74 5.54 0.00 -1.26 -4.91 105.19 109.38 1ofy n GLY 91 Ca -0.15 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 1ofy n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ofy s ASN 92 N -3.20 6.75 -0.27 1.61 0.01 -1.26 -4.80 114.94 113.78 1ofy s ASN 92 Ca 0.00 2.53 -0.20 0.00 -0.71 0.00 0.00 52.86 54.48 1ofy s ASN 92 Cb 0.00 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 39.03 1ofy s ASN 92 CO 0.00 -0.64 0.61 -0.89 -1.51 0.00 0.00 177.10 174.67 1ofy s THR 93 N 0.23 4.98 0.77 1.60 2.01 -1.26 -4.81 115.64 119.16 1ofy s THR 93 Ca 0.60 0.99 -0.12 0.00 0.31 0.00 0.00 61.69 63.46 1ofy s THR 93 Cb -0.40 -3.94 0.06 0.00 0.01 0.00 0.00 72.50 68.23 1ofy s THR 93 CO 0.39 -0.02 1.12 -2.84 -0.69 0.00 0.00 174.62 172.58 1ofy s PRO 94 N 2.51 2.13 0.20 4.92 0.02 -1.26 -5.01 135.00 138.50 1ofy s PRO 94 Ca 0.25 1.39 0.11 0.00 0.02 0.00 0.00 61.00 62.76 1ofy s PRO 94 Cb -0.15 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 1ofy s PRO 94 CO 0.10 -1.77 -0.21 0.14 -0.33 0.00 0.00 177.00 174.93 1ofy s VAL 95 N -2.58 2.20 0.43 3.83 -7.23 -1.26 -5.00 120.40 110.78 1ofy s VAL 95 Ca 0.66 -2.06 0.08 0.00 -1.81 0.00 0.00 61.98 58.84 1ofy s VAL 95 Cb -0.21 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.65 1ofy s VAL 95 CO 0.51 -0.23 0.42 -0.94 -0.31 0.00 0.00 175.10 174.55 1ofy s SER 96 N -2.82 5.13 0.18 4.85 1.04 -1.26 -4.98 113.70 115.84 1ofy s SER 96 Ca 0.21 -0.72 -0.14 0.00 0.48 0.00 0.00 55.95 55.79 1ofy s SER 96 Cb -0.07 -0.53 0.13 0.00 0.10 0.00 0.00 66.02 65.65 1ofy s SER 96 CO 0.10 -0.70 1.77 0.00 0.98 0.00 0.00 173.24 175.39 1ofy h VAL 98 N 0.43 1.37 -0.32 0.00 2.07 -1.82 -2.83 116.25 115.15 1ofy h VAL 98 Ca 0.21 -1.75 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 1ofy h VAL 98 Cb 0.15 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1ofy h VAL 98 CO -0.17 0.52 -0.01 0.77 0.02 0.00 0.00 177.57 178.70 1ofy h SER 99 N 0.09 0.47 -0.15 0.57 4.64 -1.56 -1.30 113.55 116.30 1ofy h SER 99 Ca -0.02 -0.09 -0.17 0.00 -0.47 0.00 0.00 61.79 61.04 1ofy h SER 99 Cb 1.06 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 63.04 1ofy h SER 99 CO 0.09 0.55 -0.56 0.00 -0.87 0.00 0.00 176.83 176.04 1ofy h HIS 101 N 0.30 0.58 -0.68 0.00 3.86 -1.24 -1.36 115.15 116.62 1ofy h HIS 101 Ca -0.03 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 1ofy h HIS 101 Cb 1.19 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.45 1ofy h HIS 101 CO 0.10 0.29 0.30 0.93 0.86 0.00 0.00 177.93 180.42 1ofy h GLU 102 N 0.60 0.99 -0.84 2.45 4.39 -1.15 -2.19 114.58 118.84 1ofy h GLU 102 Ca 0.25 -0.16 0.04 0.00 0.34 0.00 0.00 59.36 59.82 1ofy h GLU 102 Cb 0.12 -0.17 -0.05 0.00 -0.10 0.00 0.00 28.75 28.55 1ofy h GLU 102 CO -0.15 0.80 0.55 1.96 -1.16 0.00 0.00 179.01 181.01 1ofy h GLN 103 N 0.95 1.00 -0.65 2.33 4.20 -0.75 -1.64 115.11 120.54 1ofy h GLN 103 Ca 0.23 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.96 1ofy h GLN 103 Cb 0.16 -0.22 -0.06 0.00 0.30 0.00 0.00 27.48 27.65 1ofy h GLN 103 CO -0.02 0.66 0.33 1.96 -0.67 0.00 0.00 178.83 181.08 1ofy h GLN 104 N 1.03 0.57 0.00 1.46 1.08 -0.62 0.89 115.11 119.52 1ofy h GLN 104 Ca 0.33 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.44 1ofy h GLN 104 Cb 0.05 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1ofy h GLN 104 CO -0.10 0.38 -0.29 1.79 -0.95 0.00 0.00 178.83 179.65 1ofy h THR 105 N 0.58 0.86 0.02 -0.54 1.35 -1.08 -1.80 112.91 112.31 1ofy h THR 105 Ca 0.31 -1.15 -0.29 0.00 -0.55 0.00 0.00 66.41 64.73 1ofy h THR 105 Cb 0.28 1.69 -0.04 0.00 -1.73 0.00 0.00 68.15 68.36 1ofy h THR 105 CO -0.23 0.28 -1.59 0.11 -0.25 0.00 0.00 175.52 173.84 1ofy h LYS 106 N 0.00 0.05 0.00 4.72 1.79 -0.87 -3.00 116.57 119.26 1ofy h LYS 106 Ca -0.00 -0.09 -0.09 0.00 -2.18 0.00 0.00 60.65 58.29 1ofy h LYS 106 Cb 0.67 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.34 1ofy h LYS 106 CO 0.04 0.71 -1.70 0.39 -1.08 0.00 0.00 179.45 177.81 1ofy n GLU 107 N -3.18 0.64 -3.52 3.15 1.02 0.24 -4.76 120.64 114.23 1ofy n GLU 107 Ca -0.15 -0.01 -0.38 0.00 -0.02 0.00 0.00 57.16 56.60 1ofy n GLU 107 Cb 1.03 -1.65 -0.10 0.00 -0.02 0.00 0.00 31.44 30.70 1ofy n GLU 107 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1ofy s ARG 108 N -3.21 4.03 0.32 3.49 0.52 -0.68 -4.96 118.95 118.47 1ofy s ARG 108 Ca -0.05 -0.12 0.08 0.00 -0.52 0.00 0.00 55.73 55.12 1ofy s ARG 108 Cb 0.11 -3.61 0.82 0.00 0.52 0.00 0.00 34.95 32.78 1ofy s ARG 108 CO 0.85 -0.13 1.78 -0.09 0.02 0.00 0.00 175.30 177.73 1ofy h ARG 109 N 7.95 0.67 0.00 3.54 2.43 -1.90 0.34 114.38 127.42 1ofy h ARG 109 Ca -0.35 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1ofy h ARG 109 Cb 1.17 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 1ofy h ARG 109 CO 0.63 0.44 0.00 1.05 -1.51 0.00 0.00 179.97 180.58 1ofy h GLU 110 N 0.69 0.00 0.00 0.20 9.09 -1.93 -3.03 114.58 119.59 1ofy h GLU 110 Ca 0.58 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.64 1ofy h GLU 110 Cb 1.00 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.04 1ofy h GLU 110 CO -0.36 0.00 -2.29 0.00 0.05 0.00 0.00 179.01 176.40 1ofy n ALA 112 N -2.82 1.91 0.05 0.00 0.00 0.27 -1.55 120.51 118.37 1ofy n ALA 112 Ca -0.33 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.00 1ofy n ALA 112 Cb 1.06 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 19.20 1ofy n ALA 112 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ofy h GLY 113 N 3.13 -0.20 0.54 0.00 0.00 -1.75 -2.27 103.07 102.52 1ofy h GLY 113 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.47 1ofy h GLY 113 CO 0.00 -0.07 0.15 0.00 0.00 0.00 0.00 176.54 176.62 1ofy n HIS 115 N -5.03 0.00 0.24 0.00 -0.00 -0.59 -0.60 115.22 109.24 1ofy n HIS 115 Ca 0.04 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.90 1ofy n HIS 115 Cb 0.19 -0.36 0.43 0.00 -0.00 0.00 0.00 29.99 30.25 1ofy n HIS 115 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ofy h ALA 116 N 2.81 0.98 0.00 -1.41 0.00 -0.67 -3.35 119.26 117.63 1ofy h ALA 116 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ofy h ALA 116 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ofy h ALA 116 CO 0.00 0.08 -0.08 0.44 0.00 0.00 0.00 179.25 179.70 1ofy n ILE 117 N -3.15 0.00 -2.32 0.00 -5.35 0.23 -4.94 119.36 103.83 1ofy n ILE 117 Ca 0.02 -0.44 -0.40 0.00 -0.27 0.00 0.00 62.75 61.66 1ofy n ILE 117 Cb 0.43 0.96 -0.03 0.00 -1.74 0.00 0.00 39.64 39.25 1ofy n ILE 117 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1ofy s VAL 118 N -1.03 3.15 -0.22 7.28 1.01 -0.13 -4.99 120.40 125.47 1ofy s VAL 118 Ca 0.00 1.16 -0.03 0.00 0.00 0.00 0.00 61.98 63.11 1ofy s VAL 118 Cb 0.00 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 1ofy s VAL 118 CO 0.00 0.28 -0.06 -0.89 0.00 0.00 0.00 175.10 174.42 1ofy s THR 119 N -1.14 3.19 0.35 3.92 2.01 -1.26 -4.96 115.64 117.75 1ofy s THR 119 Ca 0.46 -0.57 -0.27 0.00 0.31 0.00 0.00 61.69 61.62 1ofy s THR 119 Cb -0.35 -2.45 -0.09 0.00 0.01 0.00 0.00 72.50 69.61 1ofy s THR 119 CO 0.46 0.42 1.16 -2.84 -0.69 0.00 0.00 174.62 173.14 1ofy s PRO 120 N 1.45 4.31 0.15 4.92 0.02 -1.26 -4.94 135.00 139.65 1ofy s PRO 120 Ca 0.05 1.86 0.00 0.00 0.02 0.00 0.00 61.00 62.94 1ofy s PRO 120 Cb -0.14 -2.90 -0.06 0.00 0.02 0.00 0.00 34.50 31.42 1ofy s PRO 120 CO -0.05 -0.11 1.34 0.87 -0.33 0.00 0.00 177.00 178.73 1ofy h LYS 121 N 3.14 0.25 -5.85 5.54 1.57 -2.04 -3.48 116.57 115.70 1ofy h LYS 121 Ca -0.48 -0.28 -0.38 0.00 -1.87 0.00 0.00 60.65 57.64 1ofy h LYS 121 Cb 1.22 0.08 0.12 0.00 0.08 0.00 0.00 32.23 33.74 1ofy h LYS 121 CO 0.64 1.01 -0.78 0.54 -0.57 0.00 0.00 179.45 180.30 1ofy n ARG 122 N -3.66 -6.23 -1.13 3.15 1.74 -1.26 -5.00 116.66 104.27 1ofy n ARG 122 Ca -0.05 0.76 -0.01 0.00 -0.77 0.00 0.00 57.85 57.79 1ofy n ARG 122 Cb 0.83 -5.64 0.00 0.00 -1.02 0.00 0.00 32.46 26.64 1ofy n ARG 122 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ofy n ASP 123 N -3.07 0.20 -0.24 0.55 5.75 -1.26 -4.87 116.55 113.61 1ofy n ASP 123 Ca -0.23 -1.05 0.01 0.00 -0.01 0.00 0.00 54.79 53.51 1ofy n ASP 123 Cb 0.65 -0.01 0.13 0.00 -1.03 0.00 0.00 41.12 40.86 1ofy n ASP 123 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1ofy h GLU 124 N 0.00 0.53 -0.43 0.11 5.08 -1.99 -1.39 114.58 116.49 1ofy h GLU 124 Ca -0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ofy h GLU 124 Cb 0.04 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1ofy h GLU 124 CO 0.01 0.35 0.20 0.00 -1.00 0.00 0.00 179.01 178.58 1ofy h ALA 125 N 1.43 1.56 0.69 3.43 0.00 -1.98 -0.16 119.26 124.22 1ofy h ALA 125 Ca 0.34 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1ofy h ALA 125 Cb 0.38 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ofy h ALA 125 CO -0.28 0.36 -0.33 2.35 0.00 0.00 0.00 179.25 181.34 1ofy h TRP 126 N 0.59 -0.86 -0.93 0.00 7.01 -1.65 -2.90 115.95 117.22 1ofy h TRP 126 Ca 0.15 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.21 1ofy h TRP 126 Cb 0.07 0.28 -0.07 0.00 -2.10 0.00 0.00 29.16 27.34 1ofy h TRP 126 CO 0.00 -0.52 0.58 0.00 -2.79 0.00 0.00 178.44 175.71 1ofy n ALA 128 N -2.36 1.73 -0.25 0.00 0.00 -0.13 -0.74 120.51 118.76 1ofy n ALA 128 Ca 0.15 0.07 -0.01 0.00 0.00 0.00 0.00 53.44 53.66 1ofy n ALA 128 Cb 0.24 -1.39 0.20 0.00 0.00 0.00 0.00 19.45 18.49 1ofy n ALA 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1ofy h THR 129 N 0.00 1.21 0.00 0.00 2.02 -1.15 -3.29 112.91 111.71 1ofy h THR 129 Ca 0.00 -0.43 -0.35 0.00 0.77 0.00 0.00 66.41 66.40 1ofy h THR 129 Cb 0.40 0.06 -0.05 0.00 -1.74 0.00 0.00 68.15 66.82 1ofy h THR 129 CO 0.00 0.22 -2.00 0.00 0.37 0.00 0.00 175.52 174.10 1ofy s HIS 131 N -2.48 2.19 -0.02 0.00 3.76 0.09 -3.90 115.29 114.92 1ofy s HIS 131 Ca -0.35 -0.15 0.14 0.00 -0.15 0.00 0.00 55.06 54.56 1ofy s HIS 131 Cb 0.11 -4.26 0.25 0.00 1.11 0.00 0.00 32.58 29.79 1ofy s HIS 131 CO 0.51 -1.51 1.10 0.27 -0.85 0.00 0.00 174.74 174.26 1ofy n ASN 132 N 12.33 0.69 -4.66 1.40 6.94 -1.08 -4.37 115.26 126.50 1ofy n ASN 132 Ca 0.44 -2.15 -0.39 0.00 -0.02 0.00 0.00 54.58 52.46 1ofy n ASN 132 Cb 0.47 -0.28 0.04 0.00 -2.36 0.00 0.00 39.78 37.65 1ofy n ASN 132 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1ofy n ILE 133 N 0.12 3.53 -1.61 1.53 0.13 -1.10 -4.81 119.36 117.14 1ofy n ILE 133 Ca 0.05 -0.50 -0.36 0.00 -1.10 0.00 0.00 62.75 60.84 1ofy n ILE 133 Cb 0.92 -1.34 0.08 0.00 -0.84 0.00 0.00 39.64 38.46 1ofy n ILE 133 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1ofy s THR 134 N -1.39 2.19 -0.00 9.51 -1.32 -1.26 -4.93 115.64 118.44 1ofy s THR 134 Ca 0.72 0.11 0.30 0.00 -1.21 0.00 0.00 61.69 61.61 1ofy s THR 134 Cb -0.44 -2.87 0.35 0.00 -1.51 0.00 0.00 72.50 68.02 1ofy s THR 134 CO 0.50 -0.04 1.88 -0.65 -2.21 0.00 0.00 174.62 174.09 1ofy h PRO 135 N 0.17 0.00 0.00 7.08 0.11 -1.99 -2.99 132.00 134.38 1ofy h PRO 135 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ofy h PRO 135 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1ofy h PRO 135 CO 0.51 0.05 0.00 0.43 -0.21 0.00 0.00 178.00 178.78 1ofy n SER 136 N -3.15 0.47 -4.75 -2.05 7.64 -1.26 -4.72 113.62 105.80 1ofy n SER 136 Ca 0.01 0.61 -0.42 0.00 1.01 0.00 0.00 58.87 60.09 1ofy n SER 136 Cb 0.38 -0.71 -0.02 0.00 -1.01 0.00 0.00 64.21 62.85 1ofy n SER 136 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1ofy s MET 137 N -3.21 4.12 0.30 1.43 0.00 -1.13 -4.99 119.30 115.82 1ofy s MET 137 Ca 0.05 2.59 0.01 0.00 0.00 0.00 0.00 55.69 58.35 1ofy s MET 137 Cb 0.10 -3.03 -0.03 0.00 0.00 0.00 0.00 34.83 31.86 1ofy s MET 137 CO 0.36 -0.66 0.49 0.95 0.00 0.00 0.00 175.02 176.16 1ofy s THR 138 N 0.20 5.15 0.47 10.11 -4.23 -1.26 -4.98 115.64 121.10 1ofy s THR 138 Ca 0.65 -0.54 0.17 0.00 -1.18 0.00 0.00 61.69 60.79 1ofy s THR 138 Cb -0.48 -3.84 0.33 0.00 1.34 0.00 0.00 72.50 69.85 1ofy s THR 138 CO 0.45 -0.46 2.02 -0.65 -0.54 0.00 0.00 174.62 175.44 1ofy h PRO 139 N 1.02 0.23 0.05 3.99 0.11 -1.98 -0.18 132.00 135.25 1ofy h PRO 139 Ca -0.50 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ofy h PRO 139 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ofy h PRO 139 CO 0.62 0.15 -0.03 0.93 -0.21 0.00 0.00 178.00 179.47 1ofy h GLU 140 N 0.24 -0.07 -0.89 1.05 3.07 -2.00 -0.62 114.58 115.36 1ofy h GLU 140 Ca 0.21 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 59.16 1ofy h GLU 140 Cb 0.54 0.02 -0.07 0.00 -0.84 0.00 0.00 28.75 28.40 1ofy h GLU 140 CO -0.04 0.18 0.55 1.96 -1.40 0.00 0.00 179.01 180.26 1ofy h GLN 141 N -0.32 0.94 -0.31 2.33 4.20 -1.72 -0.42 115.11 119.82 1ofy h GLN 141 Ca -0.01 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.70 1ofy h GLN 141 Cb 0.28 -0.21 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 1ofy h GLN 141 CO 0.01 0.62 -0.02 1.98 -0.67 0.00 0.00 178.83 180.75 1ofy h MET 142 N 0.97 0.06 -0.36 1.46 4.05 -0.81 1.03 114.93 121.32 1ofy h MET 142 Ca 0.41 -0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.82 1ofy h MET 142 Cb 0.26 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 1ofy h MET 142 CO -0.20 0.04 0.22 1.96 0.23 0.00 0.00 176.91 179.15 1ofy h GLN 143 N 0.06 0.49 -0.42 0.39 1.08 0.07 0.56 115.11 117.33 1ofy h GLN 143 Ca 0.15 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.31 1ofy h GLN 143 Cb 0.21 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 1ofy h GLN 143 CO -0.27 0.37 0.27 0.87 -0.95 0.00 0.00 178.83 179.12 1ofy h LYS 144 N 0.47 0.54 -0.31 1.46 1.57 -0.65 1.22 116.57 120.86 1ofy h LYS 144 Ca 0.13 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.92 1ofy h LYS 144 Cb 0.00 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 1ofy h LYS 144 CO -0.02 0.35 0.05 0.78 -0.57 0.00 0.00 179.45 180.04 1ofy h GLY 145 N 0.55 0.35 1.03 3.86 0.00 0.17 0.96 103.07 109.98 1ofy h GLY 145 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.44 1ofy h GLY 145 CO -0.05 -0.03 0.32 -2.22 0.00 0.00 0.00 176.54 174.57 1ofy h ILE 146 N 0.16 1.25 0.00 2.60 2.04 0.12 -2.78 117.51 120.89 1ofy h ILE 146 Ca 0.15 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1ofy h ILE 146 Cb 0.17 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1ofy h ILE 146 CO -0.20 0.31 0.00 0.78 0.00 0.00 0.00 178.15 179.03 1ofy h ASN 147 N 1.06 0.00 0.00 1.72 4.21 0.22 -3.40 115.58 119.39 1ofy h ASN 147 Ca 0.25 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.76 1ofy h ASN 147 Cb 0.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.38 1ofy h ASN 147 CO -0.03 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.72 1ofy n GLY 148 N 0.96 0.52 0.90 2.83 0.00 0.32 -4.93 105.19 105.80 1ofy n GLY 148 Ca 0.04 -0.87 0.07 0.00 0.00 0.00 0.00 46.02 45.26 1ofy n GLY 148 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ofy n THR 149 N -2.95 1.49 -2.56 2.61 -2.24 -0.58 -4.97 114.28 105.08 1ofy n THR 149 Ca 0.00 -1.27 -0.39 0.00 -2.27 0.00 0.00 64.05 60.12 1ofy n THR 149 Cb 0.08 0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 1ofy n THR 149 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ofy s LEU 150 N -1.64 4.42 0.12 3.22 2.96 -1.17 -4.94 118.68 121.66 1ofy s LEU 150 Ca 0.34 2.12 -0.30 0.00 -0.22 0.00 0.00 54.13 56.07 1ofy s LEU 150 Cb 0.22 -3.83 -0.06 0.00 0.50 0.00 0.00 46.19 43.02 1ofy s LEU 150 CO 0.16 -0.20 0.98 -0.76 -1.32 0.00 0.00 176.35 175.21 1ofy s LEU 151 N -1.84 4.50 0.45 -0.68 1.43 -1.26 -4.91 118.68 116.37 1ofy s LEU 151 Ca 0.49 1.84 0.26 0.00 -1.03 0.00 0.00 54.13 55.69 1ofy s LEU 151 Cb -0.27 -3.59 1.30 0.00 0.03 0.00 0.00 46.19 43.66 1ofy s LEU 151 CO 0.34 -0.09 1.76 -0.65 0.23 0.00 0.00 176.35 177.94 1ofy h PRO 152 N 5.53 0.21 -0.85 1.29 0.11 -1.98 1.40 132.00 137.72 1ofy h PRO 152 Ca -0.43 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.72 1ofy h PRO 152 Cb 1.21 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 1ofy h PRO 152 CO 0.72 0.14 0.55 0.78 -0.21 0.00 0.00 178.00 179.99 1ofy h GLY 153 N 0.22 1.21 1.46 -0.55 0.00 -1.99 0.38 103.07 103.79 1ofy h GLY 153 Ca 0.62 -0.39 -0.30 0.00 0.00 0.00 0.00 47.33 47.25 1ofy h GLY 153 CO -0.21 0.30 -1.36 -0.55 0.00 0.00 0.00 176.54 174.72 1ofy h ASP 154 N 0.98 0.58 -0.17 0.19 3.32 0.14 -2.72 116.42 118.74 1ofy h ASP 154 Ca 0.36 -0.63 0.04 0.00 0.02 0.00 0.00 57.03 56.81 1ofy h ASP 154 Cb 0.16 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1ofy h ASP 154 CO -0.12 1.50 -0.08 -1.13 -1.72 0.00 0.00 179.24 177.68 1ofy h ASN 155 N 0.10 -0.27 0.06 6.45 -0.73 -0.50 -1.34 115.58 119.35 1ofy h ASN 155 Ca -0.19 0.07 -0.08 0.00 1.87 0.00 0.00 56.30 57.97 1ofy h ASN 155 Cb 2.05 0.15 -0.01 0.00 0.27 0.00 0.00 38.32 40.78 1ofy h ASN 155 CO 0.23 -0.11 -0.24 1.05 -0.37 0.00 0.00 177.43 177.98 1ofy h GLU 156 N -0.07 0.31 -0.14 6.67 4.11 -0.33 -0.43 114.58 124.70 1ofy h GLU 156 Ca 0.09 -0.10 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 1ofy h GLU 156 Cb 0.21 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1ofy h GLU 156 CO -0.21 0.54 -0.03 0.00 0.07 0.00 0.00 179.01 179.38 1ofy h ALA 157 N 1.47 0.20 -0.95 1.06 0.00 -1.14 0.17 119.26 120.06 1ofy h ALA 157 Ca 0.04 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.80 1ofy h ALA 157 Cb 0.59 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.26 1ofy h ALA 157 CO 0.04 -0.05 0.60 -0.07 0.00 0.00 0.00 179.25 179.77 1ofy h LEU 158 N -0.03 0.94 -0.31 0.00 3.38 -0.96 -0.93 115.31 117.40 1ofy h LEU 158 Ca 0.04 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 1ofy h LEU 158 Cb 0.46 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ofy h LEU 158 CO 0.01 0.58 -0.52 0.00 0.09 0.00 0.00 178.44 178.60 1ofy h ALA 159 N 1.46 0.48 -0.18 1.53 0.00 -0.79 -1.73 119.26 120.02 1ofy h ALA 159 Ca 0.43 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1ofy h ALA 159 Cb 0.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ofy h ALA 159 CO -0.20 0.68 -0.31 0.00 0.00 0.00 0.00 179.25 179.42 1ofy h ALA 160 N 0.69 1.14 -0.30 0.00 0.00 -0.20 -1.43 119.26 119.17 1ofy h ALA 160 Ca 0.02 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1ofy h ALA 160 Cb 1.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1ofy h ALA 160 CO 0.12 0.55 -0.03 1.49 0.00 0.00 0.00 179.25 181.38 1ofy h GLU 161 N 0.32 0.54 0.09 0.00 4.81 -1.05 -0.12 114.58 119.16 1ofy h GLU 161 Ca 0.04 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1ofy h GLU 161 Cb 0.71 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 1ofy h GLU 161 CO 0.05 0.71 -0.08 1.15 -0.73 0.00 0.00 179.01 180.11 1ofy h THR 162 N 0.32 0.82 0.04 0.32 2.02 -1.17 -0.93 112.91 114.32 1ofy h THR 162 Ca 0.08 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.26 1ofy h THR 162 Cb 0.48 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1ofy h THR 162 CO 0.02 0.00 -0.02 0.58 0.37 0.00 0.00 175.52 176.47 1ofy h VAL 163 N -0.18 0.98 0.00 3.16 2.07 -1.19 -0.92 116.25 120.17 1ofy h VAL 163 Ca 0.00 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 1ofy h VAL 163 Cb 0.17 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1ofy h VAL 163 CO -0.02 0.02 -0.00 -0.07 0.02 0.00 0.00 177.57 177.52 1ofy h LEU 164 N -0.08 0.00 -0.22 2.57 3.38 -1.00 -0.89 115.31 119.07 1ofy h LEU 164 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ofy h LEU 164 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1ofy h LEU 164 CO 0.01 0.00 -0.28 0.00 0.09 0.00 0.00 178.44 178.26 1ofy n ALA 165 N -2.33 3.09 -1.77 1.53 0.00 -0.36 -4.92 120.51 115.76 1ofy n ALA 165 Ca -0.03 -0.32 -0.39 0.00 0.00 0.00 0.00 53.44 52.70 1ofy n ALA 165 Cb 0.08 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 1ofy n ALA 165 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ofy s GLN 166 N -2.71 4.34 -0.04 0.00 -0.21 -0.34 -5.04 119.66 115.66 1ofy s GLN 166 Ca 0.20 1.81 0.02 0.00 0.02 0.00 0.00 55.36 57.42 1ofy s GLN 166 Cb 0.19 -2.91 0.01 0.00 1.00 0.00 0.00 33.01 31.30 1ofy s GLN 166 CO 0.57 -0.06 -0.11 0.15 -2.12 0.00 0.00 175.29 173.73 1ofy s LYS 167 N -1.93 1.30 0.05 2.91 1.02 -1.26 -5.06 119.74 116.77 1ofy s LYS 167 Ca 0.51 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.86 1ofy s LYS 167 Cb -0.31 -1.15 -0.05 0.00 -0.52 0.00 0.00 37.83 35.81 1ofy s LYS 167 CO 0.39 0.08 0.93 0.99 -0.92 0.00 0.00 175.35 176.82 1ofy s THR 168 N 0.42 4.70 -0.01 2.17 2.01 -1.26 -5.00 115.64 118.66 1ofy s THR 168 Ca -0.08 1.97 -0.30 0.00 0.31 0.00 0.00 61.69 63.59 1ofy s THR 168 Cb -0.12 -4.28 -0.05 0.00 0.01 0.00 0.00 72.50 68.06 1ofy s THR 168 CO 0.02 0.26 1.31 -0.69 -0.69 0.00 0.00 174.62 174.83 1ofy s VAL 169 N 0.41 3.92 -0.14 3.82 1.01 -1.26 -5.01 120.40 123.15 1ofy s VAL 169 Ca 0.47 1.29 -0.25 0.00 0.00 0.00 0.00 61.98 63.50 1ofy s VAL 169 Cb -0.22 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.31 1ofy s VAL 169 CO 0.28 0.01 0.81 -1.61 0.00 0.00 0.00 175.10 174.58 1ofy s GLU 170 N 2.19 4.34 0.49 2.72 0.41 -1.26 -4.90 118.70 122.69 1ofy s GLU 170 Ca 0.60 1.00 -0.24 0.00 -0.41 0.00 0.00 54.97 55.93 1ofy s GLU 170 Cb -0.29 -3.54 -0.07 0.00 -1.78 0.00 0.00 34.13 28.45 1ofy s GLU 170 CO 0.25 -0.23 1.38 -1.25 -0.49 0.00 0.00 175.26 174.93 1ofy s PRO 171 N 1.80 3.44 0.65 0.39 0.04 -1.26 -4.44 135.00 135.61 1ofy s PRO 171 Ca 0.39 2.31 -0.17 0.00 0.04 0.00 0.00 61.00 63.56 1ofy s PRO 171 Cb -0.17 -2.46 -0.00 0.00 0.04 0.00 0.00 34.50 31.90 1ofy s PRO 171 CO 0.14 -0.98 1.22 0.14 0.04 0.00 0.00 177.00 177.57 1ofy s VAL 172 N -1.26 2.42 0.40 -0.36 -7.23 0.20 -4.93 120.40 109.64 1ofy s VAL 172 Ca 0.66 0.24 -0.26 0.00 -1.81 0.00 0.00 61.98 60.80 1ofy s VAL 172 Cb -0.42 -2.97 -0.09 0.00 0.56 0.00 0.00 36.38 33.46 1ofy s VAL 172 CO 0.51 -0.08 1.29 -0.55 -0.31 0.00 0.00 175.10 175.96 1ofy s SER 173 N -1.75 6.38 0.41 4.85 0.15 -1.26 -4.89 113.70 117.59 1ofy s SER 173 Ca 0.77 2.62 0.28 0.00 0.70 0.00 0.00 55.95 60.32 1ofy s SER 173 Cb -0.31 -2.64 1.43 0.00 -1.71 0.00 0.00 66.02 62.79 1ofy s SER 173 CO 0.39 -0.80 1.86 -0.65 1.20 0.00 0.00 173.24 175.24 1ofy h PRO 174 N 2.74 0.00 0.00 5.44 0.11 -1.95 -0.53 132.00 137.80 1ofy h PRO 174 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1ofy h PRO 174 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ofy h PRO 174 CO 0.63 0.00 0.01 0.52 -0.21 0.00 0.00 178.00 178.95 1ofy h MET 175 N 0.00 0.00 -0.42 1.05 2.86 -1.96 -2.29 114.93 114.18 1ofy h MET 175 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ofy h MET 175 Cb 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1ofy h MET 175 CO 0.00 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.25 1ofy n LEU 176 N -2.90 2.65 -4.51 1.22 4.77 -0.21 -4.87 117.00 113.15 1ofy n LEU 176 Ca -0.03 -1.25 -0.25 0.00 -0.03 0.00 0.00 56.01 54.46 1ofy n LEU 176 Cb 0.08 -0.27 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 1ofy n LEU 176 CO 0.18 0.62 -0.43 0.00 -1.33 0.00 0.00 177.39 176.43 1ofy s ALA 177 N -1.45 2.86 0.50 -1.18 0.00 -0.86 -5.02 121.76 116.61 1ofy s ALA 177 Ca 0.35 -1.95 -0.22 0.00 0.00 0.00 0.00 51.96 50.14 1ofy s ALA 177 Cb 0.19 -0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.02 1ofy s ALA 177 CO 0.26 0.20 1.16 -2.30 0.00 0.00 0.00 175.76 175.08 1ofy n PRO 178 N -0.71 1.48 0.26 0.00 -0.02 -1.26 -4.89 135.00 129.86 1ofy n PRO 178 Ca -0.05 0.54 -0.15 0.00 -2.02 0.00 0.00 63.50 61.82 1ofy n PRO 178 Cb 0.61 -2.31 -0.08 0.00 -0.02 0.00 0.00 33.50 31.71 1ofy n PRO 178 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1ofy h TYR 179 N 1.39 -0.61 -3.59 6.00 3.20 -1.94 -3.15 116.97 118.26 1ofy h TYR 179 Ca -0.48 -0.01 -0.30 0.00 3.14 0.00 0.00 58.73 61.08 1ofy h TYR 179 Cb 1.32 0.20 -0.15 0.00 1.54 0.00 0.00 36.73 39.65 1ofy h TYR 179 CO 0.43 -0.30 -0.69 -1.59 -1.64 0.00 0.00 178.16 174.37 1ofy s LYS 180 N -5.23 1.04 -0.06 1.82 -2.85 -1.26 -1.47 119.74 111.73 1ofy s LYS 180 Ca -0.15 -1.47 -0.01 0.00 -1.00 0.00 0.00 55.97 53.34 1ofy s LYS 180 Cb 0.03 -0.42 0.03 0.00 -2.06 0.00 0.00 37.83 35.40 1ofy s LYS 180 CO 0.56 -0.02 0.01 0.08 0.10 0.00 0.00 175.35 176.08 1ofy s VAL 181 N -3.50 0.25 -0.60 1.79 1.01 -0.82 -4.89 120.40 113.63 1ofy s VAL 181 Ca 0.19 0.17 -0.24 0.00 0.00 0.00 0.00 61.98 62.09 1ofy s VAL 181 Cb 0.04 -0.41 0.05 0.00 0.00 0.00 0.00 36.38 36.07 1ofy s VAL 181 CO 0.01 0.22 1.00 -0.69 0.00 0.00 0.00 175.10 175.64 1ofy s VAL 182 N 1.79 4.28 -0.57 2.92 1.01 -1.26 -1.28 120.40 127.29 1ofy s VAL 182 Ca 0.01 0.16 -0.25 0.00 0.00 0.00 0.00 61.98 61.91 1ofy s VAL 182 Cb -0.13 -4.63 0.04 0.00 0.00 0.00 0.00 36.38 31.67 1ofy s VAL 182 CO -0.04 -1.30 1.00 -0.63 0.00 0.00 0.00 175.10 174.14 1ofy s ILE 183 N 4.23 4.29 -0.01 2.22 1.01 0.64 -4.82 121.20 128.76 1ofy s ILE 183 Ca 0.29 0.35 0.01 0.00 0.00 0.00 0.00 60.65 61.31 1ofy s ILE 183 Cb -0.13 -4.60 0.01 0.00 0.01 0.00 0.00 42.46 37.75 1ofy s ILE 183 CO 0.17 -1.21 0.77 -0.90 0.00 0.00 0.00 174.94 173.77 1ofy n ASP 184 N 7.74 0.97 -0.09 3.58 5.68 -1.26 -1.41 116.55 131.76 1ofy n ASP 184 Ca 0.03 -1.58 0.23 0.00 -0.50 0.00 0.00 54.79 52.96 1ofy n ASP 184 Cb 0.48 -0.03 0.68 0.00 -1.14 0.00 0.00 41.12 41.10 1ofy n ASP 184 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ofy h ALA 185 N 0.00 2.58 -0.15 2.12 0.00 -2.01 -2.69 119.26 119.11 1ofy h ALA 185 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ofy h ALA 185 Cb 0.81 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1ofy h ALA 185 CO 0.00 -0.78 0.00 1.28 0.00 0.00 0.00 179.25 179.75 1ofy n LEU 186 N -4.35 2.31 -4.68 0.00 4.77 -1.26 -5.05 117.00 108.74 1ofy n LEU 186 Ca 0.14 -1.81 -0.47 0.00 -0.03 0.00 0.00 56.01 53.83 1ofy n LEU 186 Cb 0.73 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1ofy n LEU 186 CO 0.37 0.57 1.49 0.00 -1.33 0.00 0.00 177.39 178.48 1ofy n ALA 187 N 0.10 1.02 -0.47 -1.18 0.00 -1.02 -4.70 120.51 114.26 1ofy n ALA 187 Ca 0.06 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1ofy n ALA 187 Cb 0.31 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.24 1ofy n ALA 187 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ofy n ASP 188 N 6.54 0.00 0.19 0.00 2.03 -1.26 -4.91 116.55 119.14 1ofy n ASP 188 Ca 0.22 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.61 1ofy n ASP 188 Cb 0.31 0.15 0.22 0.00 -0.72 0.00 0.00 41.12 41.08 1ofy n ASP 188 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ofy h LYS 189 N 0.00 0.00 -5.59 -0.67 1.57 -1.98 -3.46 116.57 106.45 1ofy h LYS 189 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 1ofy h LYS 189 Cb 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.17 1ofy h LYS 189 CO 0.00 0.24 -0.70 0.71 -0.57 0.00 0.00 179.45 179.13 1ofy s TYR 190 N -3.24 1.92 0.95 -1.35 1.51 -1.26 -1.59 117.35 114.29 1ofy s TYR 190 Ca 0.04 -0.63 -0.12 0.00 -1.01 0.00 0.00 57.07 55.35 1ofy s TYR 190 Cb 0.07 -1.02 0.16 0.00 -0.11 0.00 0.00 41.96 41.07 1ofy s TYR 190 CO 0.68 0.34 1.09 -1.21 -1.11 0.00 0.00 175.55 175.34 1ofy s GLU 191 N -3.68 0.80 0.71 -0.62 2.02 -0.23 -4.65 118.70 113.04 1ofy s GLU 191 Ca 0.28 0.83 -0.16 0.00 0.02 0.00 0.00 54.97 55.94 1ofy s GLU 191 Cb 0.02 -1.76 0.03 0.00 0.10 0.00 0.00 34.13 32.52 1ofy s GLU 191 CO 0.11 -2.56 1.23 -2.14 0.02 0.00 0.00 175.26 171.92 1ofy s PRO 192 N -4.85 2.23 -0.25 0.39 0.02 -1.26 -4.56 135.00 126.72 1ofy s PRO 192 Ca 0.65 1.85 -0.22 0.00 0.02 0.00 0.00 61.00 63.29 1ofy s PRO 192 Cb -0.19 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.48 1ofy s PRO 192 CO 0.58 -1.79 0.73 0.45 -0.33 0.00 0.00 177.00 176.64 1ofy s SER 193 N -1.85 6.71 -1.19 2.53 0.15 -0.50 -4.62 113.70 114.94 1ofy s SER 193 Ca 0.77 0.88 -0.16 0.00 0.70 0.00 0.00 55.95 58.13 1ofy s SER 193 Cb -0.31 -2.39 0.13 0.00 -1.71 0.00 0.00 66.02 61.74 1ofy s SER 193 CO 0.44 -0.44 1.49 0.20 1.20 0.00 0.00 173.24 176.13 1ofy s ASN 194 N 1.40 6.93 0.02 5.45 0.01 -1.26 -0.26 114.94 127.23 1ofy s ASN 194 Ca 0.31 -2.65 -0.30 0.00 -0.71 0.00 0.00 52.86 49.50 1ofy s ASN 194 Cb -0.15 -2.46 -0.06 0.00 0.41 0.00 0.00 41.25 38.99 1ofy s ASN 194 CO 0.08 -0.94 1.34 0.12 -1.51 0.00 0.00 177.10 176.19 1ofy s PHE 195 N 2.64 3.05 -1.47 2.20 5.36 -0.40 -4.89 117.98 124.47 1ofy s PHE 195 Ca 0.45 0.96 -0.12 0.00 -0.96 0.00 0.00 56.93 57.26 1ofy s PHE 195 Cb -0.01 -3.60 0.03 0.00 -0.34 0.00 0.00 43.02 39.10 1ofy s PHE 195 CO 0.01 -2.12 2.36 0.25 -1.46 0.00 0.00 175.22 174.25 1ofy n THR 196 N 4.42 3.82 -0.10 0.12 -2.24 -1.26 -1.95 114.28 117.09 1ofy n THR 196 Ca 0.12 -3.13 -0.14 0.00 -2.27 0.00 0.00 64.05 58.63 1ofy n THR 196 Cb 0.44 -2.56 -0.09 0.00 -2.10 0.00 0.00 70.33 66.02 1ofy n THR 196 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1ofy h HIS 197 N 5.69 -1.61 -0.01 4.78 2.76 -1.82 0.14 115.15 125.08 1ofy h HIS 197 Ca 0.62 0.07 -0.17 0.00 -2.20 0.00 0.00 60.37 58.70 1ofy h HIS 197 Cb 0.55 0.74 -0.02 0.00 1.55 0.00 0.00 27.41 30.23 1ofy h HIS 197 CO 1.54 -0.50 -0.76 -0.09 -1.30 0.00 0.00 177.93 176.82 1ofy h ARG 198 N -0.45 0.12 -0.01 5.26 2.43 -1.22 -2.00 114.38 118.52 1ofy h ARG 198 Ca 0.07 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1ofy h ARG 198 Cb 0.62 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.20 1ofy h ARG 198 CO -0.54 0.82 -0.01 -0.09 -1.51 0.00 0.00 179.97 178.63 1ofy h ARG 199 N 0.08 -0.02 0.58 0.20 2.43 -1.67 -0.60 114.38 115.39 1ofy h ARG 199 Ca -0.02 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1ofy h ARG 199 Cb 1.33 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.87 1ofy h ARG 199 CO 0.11 -0.01 -0.42 0.45 -1.51 0.00 0.00 179.97 178.58 1ofy h HIS 200 N -0.02 -1.13 -0.50 2.20 3.86 -0.84 -1.00 115.15 117.73 1ofy h HIS 200 Ca 0.01 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 1ofy h HIS 200 Cb 0.03 0.42 -0.04 0.00 1.06 0.00 0.00 27.41 28.88 1ofy h HIS 200 CO -0.10 -0.61 0.26 1.25 0.86 0.00 0.00 177.93 179.60 1ofy h LEU 201 N -0.97 0.39 -0.73 2.43 5.85 -1.36 -0.54 115.31 120.38 1ofy h LEU 201 Ca -0.07 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.71 1ofy h LEU 201 Cb 0.81 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 1ofy h LEU 201 CO 0.03 0.27 0.46 0.74 -0.34 0.00 0.00 178.44 179.60 1ofy h THR 202 N 0.52 1.09 -0.21 1.05 2.02 -0.97 -1.50 112.91 114.91 1ofy h THR 202 Ca 0.21 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1ofy h THR 202 Cb 0.10 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1ofy h THR 202 CO -0.14 0.16 -0.01 -1.28 0.37 0.00 0.00 175.52 174.63 1ofy h SER 203 N 0.89 0.36 -0.88 4.18 0.87 -0.68 -1.34 113.55 116.94 1ofy h SER 203 Ca 0.30 -0.32 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 1ofy h SER 203 Cb 0.03 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 61.85 1ofy h SER 203 CO -0.12 0.59 0.52 -0.07 -0.53 0.00 0.00 176.83 177.22 1ofy h LEU 204 N 0.12 1.08 -0.78 2.23 3.38 -0.79 -2.55 115.31 118.01 1ofy h LEU 204 Ca 0.06 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.83 1ofy h LEU 204 Cb 0.41 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1ofy h LEU 204 CO 0.01 0.84 -0.35 0.24 0.09 0.00 0.00 178.44 179.27 1ofy h MET 205 N 1.22 0.51 -0.50 1.13 2.86 -1.22 -3.27 114.93 115.66 1ofy h MET 205 Ca 0.32 -0.24 -0.12 0.00 -2.06 0.00 0.00 59.70 57.60 1ofy h MET 205 Cb -0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 1ofy h MET 205 CO -0.06 0.80 -0.15 1.49 1.06 0.00 0.00 176.91 180.05 1ofy h GLU 206 N 0.43 1.00 0.00 1.72 4.22 -0.81 -1.91 114.58 119.23 1ofy h GLU 206 Ca 0.05 -0.40 0.00 0.00 0.08 0.00 0.00 59.36 59.09 1ofy h GLU 206 Cb 0.82 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1ofy h GLU 206 CO 0.07 1.07 0.00 0.54 -2.18 0.00 0.00 179.01 178.51 1ofy n ARG 207 N -4.15 0.02 -0.00 1.92 1.74 -1.16 -2.67 116.66 112.36 1ofy n ARG 207 Ca 0.01 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 1ofy n ARG 207 Cb 0.42 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1ofy n ARG 207 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1ofy n ILE 208 N -1.62 0.39 0.26 0.55 -5.35 -0.87 -4.87 119.36 107.85 1ofy n ILE 208 Ca 0.00 -0.39 0.18 0.00 -0.27 0.00 0.00 62.75 62.27 1ofy n ILE 208 Cb 0.02 0.80 0.90 0.00 -1.74 0.00 0.00 39.64 39.63 1ofy n ILE 208 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 1ofy h LYS 209 N 0.00 0.00 -0.06 6.28 2.10 -1.14 -1.85 116.57 121.90 1ofy h LYS 209 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ofy h LYS 209 Cb 0.81 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1ofy h LYS 209 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 1ofy n ASP 210 N -3.41 2.34 -4.67 7.07 8.00 -1.26 -5.01 116.55 119.62 1ofy n ASP 210 Ca 0.00 -2.41 -0.43 0.00 0.71 0.00 0.00 54.79 52.66 1ofy n ASP 210 Cb 0.30 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.18 1ofy n ASP 210 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ofy s ASP 211 N -1.66 7.03 0.24 -2.24 -1.08 -0.70 -4.92 116.67 113.34 1ofy s ASP 211 Ca 0.16 1.68 0.06 0.00 -0.52 0.00 0.00 52.55 53.93 1ofy s ASP 211 Cb 0.13 -2.55 0.27 0.00 -1.46 0.00 0.00 42.92 39.31 1ofy s ASP 211 CO 0.03 -0.66 1.57 0.11 0.52 0.00 0.00 175.17 176.75 1ofy h LYS 212 N 7.74 0.18 -0.05 4.34 1.57 -1.89 0.10 116.57 128.57 1ofy h LYS 212 Ca -0.29 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.29 1ofy h LYS 212 Cb 1.12 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1ofy h LYS 212 CO 0.93 0.73 -0.28 1.25 -0.57 0.00 0.00 179.45 181.51 1ofy h LEU 213 N 0.13 0.34 -0.52 2.94 5.85 -0.74 -2.54 115.31 120.78 1ofy h LEU 213 Ca -0.01 -0.66 -0.01 0.00 0.84 0.00 0.00 57.88 58.04 1ofy h LEU 213 Cb 1.11 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 1ofy h LEU 213 CO 0.09 0.95 0.29 0.00 -0.34 0.00 0.00 178.44 179.43 1ofy h ALA 214 N 0.40 0.66 -0.49 1.25 0.00 -1.84 -2.80 119.26 116.44 1ofy h ALA 214 Ca -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1ofy h ALA 214 Cb 0.95 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1ofy h ALA 214 CO 0.06 0.17 0.23 1.96 0.00 0.00 0.00 179.25 181.67 1ofy h GLN 215 N 0.69 0.68 -0.35 0.00 4.20 -0.79 0.74 115.11 120.28 1ofy h GLN 215 Ca 0.18 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 1ofy h GLN 215 Cb 0.03 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1ofy h GLN 215 CO -0.03 0.54 -0.28 0.00 -0.67 0.00 0.00 178.83 178.39 1ofy h ALA 216 N 1.57 0.51 0.00 3.87 0.00 -1.29 -3.31 119.26 120.62 1ofy h ALA 216 Ca 0.17 -0.40 -0.10 0.00 0.00 0.00 0.00 54.91 54.57 1ofy h ALA 216 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1ofy h ALA 216 CO -0.02 0.53 -1.18 0.74 0.00 0.00 0.00 179.25 179.31 1ofy h PHE 217 N 0.60 0.00 -0.41 0.00 -1.00 -1.22 -3.37 116.94 111.53 1ofy h PHE 217 Ca 0.07 0.00 -0.71 0.00 2.81 0.00 0.00 57.97 60.14 1ofy h PHE 217 Cb 0.85 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 40.35 1ofy h PHE 217 CO 0.06 0.36 2.75 0.72 -1.61 0.00 0.00 178.31 180.59 1ofy n HIS 218 N -2.84 3.82 -1.03 -0.55 8.25 0.22 -4.74 115.22 118.35 1ofy n HIS 218 Ca -0.05 -2.94 0.08 0.00 -0.26 0.00 0.00 57.72 54.55 1ofy n HIS 218 Cb 0.73 -2.51 0.24 0.00 1.12 0.00 0.00 29.99 29.57 1ofy n HIS 218 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1ofy n ASN 219 N 6.45 3.59 -4.17 0.41 0.23 -1.26 -4.74 115.26 115.76 1ofy n ASN 219 Ca 0.50 -3.07 -0.24 0.00 -0.53 0.00 0.00 54.58 51.23 1ofy n ASN 219 Cb 0.41 -0.53 -0.15 0.00 -2.08 0.00 0.00 39.78 37.42 1ofy n ASN 219 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1ofy s LYS 220 N -2.86 1.35 0.43 -3.83 1.02 -1.26 -4.91 119.74 109.68 1ofy s LYS 220 Ca 0.41 -0.68 0.21 0.00 0.02 0.00 0.00 55.97 55.93 1ofy s LYS 220 Cb 0.34 -1.34 1.18 0.00 -0.52 0.00 0.00 37.83 37.49 1ofy s LYS 220 CO 0.07 0.36 1.81 -1.35 -0.92 0.00 0.00 175.35 175.33 1ofy h PRO 221 N 5.51 0.31 -0.49 -1.68 0.11 -1.89 -0.01 132.00 133.86 1ofy h PRO 221 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1ofy h PRO 221 Cb 1.15 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ofy h PRO 221 CO 0.47 0.21 0.00 0.39 -0.21 0.00 0.00 178.00 178.86 1ofy n GLU 222 N -4.51 4.27 0.21 1.05 1.02 -1.26 -0.62 120.64 120.80 1ofy n GLU 222 Ca 0.23 -3.06 0.07 0.00 -0.02 0.00 0.00 57.16 54.38 1ofy n GLU 222 Cb 0.87 -2.12 0.46 0.00 -0.02 0.00 0.00 31.44 30.63 1ofy n GLU 222 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 1ofy h ILE 223 N 3.35 0.94 0.00 -3.67 2.10 -1.37 -2.81 117.51 116.04 1ofy h ILE 223 Ca 0.00 -1.11 -0.04 0.00 1.08 0.00 0.00 64.86 64.78 1ofy h ILE 223 Cb 1.80 1.65 -0.01 0.00 -1.09 0.00 0.00 36.82 39.17 1ofy h ILE 223 CO 0.40 0.29 -0.20 -0.07 -1.08 0.00 0.00 178.15 177.48 1ofy h LEU 224 N 0.00 0.00 -1.77 2.19 3.38 -1.82 -1.16 115.31 116.13 1ofy h LEU 224 Ca -0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1ofy h LEU 224 Cb 0.63 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1ofy h LEU 224 CO 0.04 0.20 0.38 0.00 0.09 0.00 0.00 178.44 179.15 1ofy n ALA 226 N -2.56 2.00 -0.29 0.00 0.00 -0.44 -1.32 120.51 117.90 1ofy n ALA 226 Ca 0.09 -0.08 0.10 0.00 0.00 0.00 0.00 53.44 53.55 1ofy n ALA 226 Cb 0.44 -1.33 0.26 0.00 0.00 0.00 0.00 19.45 18.81 1ofy n ALA 226 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1ofy h THR 227 N 0.00 0.56 0.00 0.00 2.02 -1.47 -3.26 112.91 110.76 1ofy h THR 227 Ca 0.00 -0.15 -0.21 0.00 0.77 0.00 0.00 66.41 66.82 1ofy h THR 227 Cb 0.29 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1ofy h THR 227 CO 0.00 0.08 -1.73 0.00 0.37 0.00 0.00 175.52 174.24 1ofy n HIS 229 N -3.20 3.13 -2.63 0.00 8.25 -0.43 -4.97 115.22 115.37 1ofy n HIS 229 Ca -0.24 -2.79 -0.26 0.00 -0.26 0.00 0.00 57.72 54.18 1ofy n HIS 229 Cb 0.71 -2.40 0.02 0.00 1.12 0.00 0.00 29.99 29.44 1ofy n HIS 229 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1ofy s HIS 230 N 3.40 3.31 -1.59 4.41 -3.43 -1.23 -4.29 115.29 115.87 1ofy s HIS 230 Ca 0.50 0.56 -0.01 0.00 -0.80 0.00 0.00 55.06 55.32 1ofy s HIS 230 Cb 0.14 -2.51 0.00 0.00 -1.43 0.00 0.00 32.58 28.78 1ofy s HIS 230 CO -0.05 -0.56 0.08 0.54 -2.00 0.00 0.00 174.74 172.75 1ofy n ARG 231 N -2.36 -1.96 -3.88 -0.38 1.74 -1.26 -4.98 116.66 103.58 1ofy n ARG 231 Ca 0.03 0.91 -0.09 0.00 -0.77 0.00 0.00 57.85 57.92 1ofy n ARG 231 Cb 0.57 -5.48 -0.08 0.00 -1.02 0.00 0.00 32.46 26.45 1ofy n ARG 231 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ofy s SER 232 N -2.23 0.12 0.36 0.55 1.04 -1.26 -5.14 113.70 107.14 1ofy s SER 232 Ca 0.04 -0.53 -0.26 0.00 0.48 0.00 0.00 55.95 55.68 1ofy s SER 232 Cb -0.02 0.29 -0.12 0.00 0.10 0.00 0.00 66.02 66.27 1ofy s SER 232 CO 0.05 -0.61 1.10 -2.65 0.98 0.00 0.00 173.24 172.11 1ofy n PRO 233 N 0.42 1.60 -1.76 4.02 -0.02 -1.26 -4.87 135.00 133.12 1ofy n PRO 233 Ca -0.17 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 1ofy n PRO 233 Cb 0.60 -2.08 -0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1ofy n PRO 233 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1ofy n LEU 234 N 0.78 4.61 -3.55 2.45 4.77 -1.26 -4.95 117.00 119.84 1ofy n LEU 234 Ca 0.08 1.21 -0.12 0.00 -0.03 0.00 0.00 56.01 57.15 1ofy n LEU 234 Cb 0.36 -1.61 -0.05 0.00 -2.33 0.00 0.00 43.42 39.80 1ofy n LEU 234 CO 0.59 0.12 0.68 -0.55 -1.33 0.00 0.00 177.39 176.90 1ofy s SER 235 N -0.00 -0.44 0.00 -1.43 0.15 -1.26 -5.01 113.70 105.71 1ofy s SER 235 Ca 0.56 0.41 0.29 0.00 0.70 0.00 0.00 55.95 57.91 1ofy s SER 235 Cb -0.49 0.38 1.29 0.00 -1.71 0.00 0.00 66.02 65.49 1ofy s SER 235 CO 0.60 -0.46 1.92 0.18 1.20 0.00 0.00 173.24 176.68 1ofy n LEU 236 N 0.61 0.19 -3.28 3.45 4.77 -1.26 -4.18 117.00 117.30 1ofy n LEU 236 Ca -0.12 0.21 -0.25 0.00 -0.03 0.00 0.00 56.01 55.82 1ofy n LEU 236 Cb 0.58 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1ofy n LEU 236 CO 0.17 0.04 -0.23 0.35 -1.33 0.00 0.00 177.39 176.39 1ofy n THR 237 N -1.23 -0.14 -1.16 -5.08 -2.24 -1.26 -4.96 114.28 98.21 1ofy n THR 237 Ca 0.12 -4.19 -0.31 0.00 -2.27 0.00 0.00 64.05 57.40 1ofy n THR 237 Cb 0.28 -1.96 0.11 0.00 -2.10 0.00 0.00 70.33 66.66 1ofy n THR 237 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1ofy s PRO 238 N -1.28 1.96 0.86 -0.78 0.04 -1.26 -4.98 135.00 129.57 1ofy s PRO 238 Ca 0.35 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.62 1ofy s PRO 238 Cb 0.14 -1.85 0.11 0.00 0.04 0.00 0.00 34.50 32.94 1ofy s PRO 238 CO -0.10 -1.89 1.10 -1.25 0.04 0.00 0.00 177.00 174.90 1ofy s PRO 239 N -4.70 1.50 0.44 0.56 0.04 -1.26 -4.99 135.00 126.59 1ofy s PRO 239 Ca 0.64 1.17 -0.21 0.00 0.04 0.00 0.00 61.00 62.64 1ofy s PRO 239 Cb -0.20 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 1ofy s PRO 239 CO 0.54 -2.17 0.98 0.15 0.04 0.00 0.00 177.00 176.54 1ofy s LYS 240 N -4.82 4.14 0.31 4.56 1.02 -1.26 -4.93 119.74 118.77 1ofy s LYS 240 Ca 0.64 1.22 0.08 0.00 0.02 0.00 0.00 55.97 57.93 1ofy s LYS 240 Cb -0.19 -2.22 0.84 0.00 -0.52 0.00 0.00 37.83 35.74 1ofy s LYS 240 CO 0.57 -0.12 1.75 0.00 -0.92 0.00 0.00 175.35 176.63 1ofy n GLY 242 N -1.32 -0.90 0.21 0.00 0.00 -1.26 -0.71 105.19 101.22 1ofy n GLY 242 Ca 0.26 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1ofy n GLY 242 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ofy h SER 243 N 0.00 0.51 0.00 1.61 0.02 -1.07 -3.37 113.55 111.24 1ofy h SER 243 Ca 0.00 -0.24 -0.16 0.00 -0.84 0.00 0.00 61.79 60.55 1ofy h SER 243 Cb 0.18 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1ofy h SER 243 CO 0.00 0.89 -1.67 0.00 -1.14 0.00 0.00 176.83 174.91 1ofy s HIS 245 N -2.30 3.23 0.53 0.00 3.76 0.12 -5.06 115.29 115.57 1ofy s HIS 245 Ca -0.05 -0.72 -0.17 0.00 -0.15 0.00 0.00 55.06 53.97 1ofy s HIS 245 Cb 0.03 -2.48 -0.07 0.00 1.11 0.00 0.00 32.58 31.17 1ofy s HIS 245 CO 0.42 -0.58 1.01 0.95 -0.85 0.00 0.00 174.74 175.69 1ofy s THR 246 N 1.62 4.26 0.21 1.30 -4.23 -1.26 -4.15 115.64 113.39 1ofy s THR 246 Ca 0.04 1.13 -0.10 0.00 -1.18 0.00 0.00 61.69 61.57 1ofy s THR 246 Cb -0.19 -3.59 0.16 0.00 1.34 0.00 0.00 72.50 70.22 1ofy s THR 246 CO 0.08 -0.58 1.88 0.50 -0.54 0.00 0.00 174.62 175.96 1ofy h LYS 247 N 0.89 0.98 -6.66 3.99 3.64 -1.93 0.19 116.57 117.67 1ofy h LYS 247 Ca -0.47 -0.06 -0.47 0.00 -1.27 0.00 0.00 60.65 58.38 1ofy h LYS 247 Cb 1.20 -0.22 0.03 0.00 -0.41 0.00 0.00 32.23 32.83 1ofy h LYS 247 CO 0.60 0.65 -0.11 -1.21 -2.27 0.00 0.00 179.45 177.11 1ofy s GLU 248 N -6.13 2.36 0.32 1.90 0.41 -1.26 -4.32 118.70 111.98 1ofy s GLU 248 Ca -0.13 -1.47 -0.28 0.00 -0.41 0.00 0.00 54.97 52.67 1ofy s GLU 248 Cb 0.15 -2.63 -0.10 0.00 -1.78 0.00 0.00 34.13 29.77 1ofy s GLU 248 CO 0.78 -0.79 1.19 0.42 -0.49 0.00 0.00 175.26 176.37 1ofy s ILE 249 N -2.65 3.14 -0.59 -1.63 1.09 -1.26 -4.78 121.20 114.52 1ofy s ILE 249 Ca 0.61 1.11 -0.01 0.00 -1.10 0.00 0.00 60.65 61.25 1ofy s ILE 249 Cb -0.07 -3.69 0.15 0.00 -1.06 0.00 0.00 42.46 37.79 1ofy s ILE 249 CO 0.38 0.23 0.38 -0.62 -0.10 0.00 0.00 174.94 175.22 1ofy s ASP 250 N -0.79 5.04 0.44 3.58 2.15 -1.26 -4.95 116.67 120.88 1ofy s ASP 250 Ca 0.49 -2.84 0.14 0.00 0.43 0.00 0.00 52.55 50.77 1ofy s ASP 250 Cb -0.34 -1.80 1.04 0.00 -0.30 0.00 0.00 42.92 41.51 1ofy s ASP 250 CO 0.45 -0.35 2.01 0.11 -0.17 0.00 0.00 175.17 177.22 1ofy h LYS 251 N 6.98 0.37 0.00 4.34 1.57 -1.97 -0.11 116.57 127.74 1ofy h LYS 251 Ca -0.03 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1ofy h LYS 251 Cb 0.94 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 1ofy h LYS 251 CO 0.70 0.24 -0.16 0.00 -0.57 0.00 0.00 179.45 179.66 1ofy h ALA 252 N 1.73 1.60 -2.26 3.86 0.00 -2.02 -3.31 119.26 118.86 1ofy h ALA 252 Ca 0.24 -0.15 -0.59 0.00 0.00 0.00 0.00 54.91 54.41 1ofy h ALA 252 Cb 0.44 -0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.79 1ofy h ALA 252 CO -0.06 0.20 -0.78 0.09 0.00 0.00 0.00 179.25 178.70 1ofy n ASN 253 N -4.15 2.18 0.28 0.00 3.02 -0.06 -4.95 115.26 111.57 1ofy n ASN 253 Ca -0.02 -3.09 0.18 0.00 -0.03 0.00 0.00 54.58 51.62 1ofy n ASN 253 Cb 0.24 -0.66 0.75 0.00 -0.61 0.00 0.00 39.78 39.49 1ofy n ASN 253 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1ofy h PRO 254 N 4.40 0.00 0.00 3.52 0.11 -1.65 -0.61 132.00 137.77 1ofy h PRO 254 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1ofy h PRO 254 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1ofy h PRO 254 CO 0.66 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.86 1ofy n GLY 255 N -0.12 -1.42 3.63 -0.55 0.00 -1.26 -4.71 105.19 100.76 1ofy n GLY 255 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ofy n GLY 255 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ofy s ARG 256 N -3.15 4.08 0.59 1.61 0.52 -0.24 -5.06 118.95 117.31 1ofy s ARG 256 Ca 0.08 0.24 -0.18 0.00 -0.52 0.00 0.00 55.73 55.35 1ofy s ARG 256 Cb 0.12 -3.63 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 1ofy s ARG 256 CO 0.46 -0.26 1.15 -2.14 0.02 0.00 0.00 175.30 174.53 1ofy s PRO 257 N 2.01 3.07 1.02 3.54 0.02 -1.26 -4.82 135.00 138.58 1ofy s PRO 257 Ca 0.19 1.61 -0.12 0.00 0.02 0.00 0.00 61.00 62.70 1ofy s PRO 257 Cb -0.15 -1.97 0.20 0.00 0.02 0.00 0.00 34.50 32.60 1ofy s PRO 257 CO 0.09 -1.08 1.09 0.54 -0.33 0.00 0.00 177.00 177.31 1ofy s ASN 258 N -1.94 2.42 0.30 2.53 2.20 -1.26 -4.54 114.94 114.65 1ofy s ASN 258 Ca 0.72 1.23 0.04 0.00 -0.94 0.00 0.00 52.86 53.92 1ofy s ASN 258 Cb -0.25 -1.91 0.48 0.00 -2.00 0.00 0.00 41.25 37.57 1ofy s ASN 258 CO 0.33 -3.26 1.76 0.25 -2.94 0.00 0.00 177.10 173.23 1ofy h LEU 259 N -1.98 0.41 -0.50 3.54 5.85 -0.78 0.55 115.31 122.40 1ofy h LEU 259 Ca -0.55 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 57.95 1ofy h LEU 259 Cb 1.33 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1ofy h LEU 259 CO 0.57 0.65 -0.03 -0.03 -0.34 0.00 0.00 178.44 179.26 1ofy h MET 260 N 0.37 0.90 -0.22 1.25 4.05 -1.85 -2.14 114.93 117.28 1ofy h MET 260 Ca 0.06 -0.30 -0.10 0.00 -0.28 0.00 0.00 59.70 59.07 1ofy h MET 260 Cb 0.62 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 1ofy h MET 260 CO 0.04 0.94 -0.30 0.00 0.23 0.00 0.00 176.91 177.82 1ofy h ALA 261 N 0.92 1.07 0.06 0.39 0.00 -1.78 -1.49 119.26 118.43 1ofy h ALA 261 Ca 0.14 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1ofy h ALA 261 Cb 0.56 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1ofy h ALA 261 CO 0.03 0.57 -0.17 0.00 0.00 0.00 0.00 179.25 179.69 1ofy h ALA 262 N 1.29 -0.24 -0.21 0.00 0.00 -0.72 0.33 119.26 119.71 1ofy h ALA 262 Ca 0.05 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ofy h ALA 262 Cb 0.73 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1ofy h ALA 262 CO 0.06 -0.68 0.12 1.88 0.00 0.00 0.00 179.25 180.63 1ofy h TYR 263 N -0.30 0.28 0.27 0.00 0.05 -1.20 -1.94 116.97 114.13 1ofy h TYR 263 Ca 0.04 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1ofy h TYR 263 Cb 0.34 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.98 1ofy h TYR 263 CO -0.19 0.25 -0.17 0.45 -1.05 0.00 0.00 178.16 177.44 1ofy h HIS 264 N 0.23 -0.45 -0.90 4.88 3.86 -0.98 -0.08 115.15 121.71 1ofy h HIS 264 Ca 0.07 -0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 1ofy h HIS 264 Cb 0.06 0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.64 1ofy h HIS 264 CO -0.04 -0.27 0.58 -0.07 0.86 0.00 0.00 177.93 178.99 1ofy h LEU 265 N -0.43 0.95 0.14 2.43 3.38 -0.34 0.14 115.31 121.58 1ofy h LEU 265 Ca -0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ofy h LEU 265 Cb 0.36 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1ofy h LEU 265 CO 0.02 0.64 -0.07 -0.61 0.09 0.00 0.00 178.44 178.52 1ofy h GLN 266 N 1.11 -0.18 0.11 1.13 4.15 -1.16 0.04 115.11 120.31 1ofy h GLN 266 Ca 0.37 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.80 1ofy h GLN 266 Cb 0.05 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1ofy h GLN 266 CO -0.13 0.28 -0.10 0.00 -1.93 0.00 0.00 178.83 176.94 1ofy h MET 268 N -0.23 0.30 -0.18 0.00 2.86 -0.83 -2.60 114.93 114.24 1ofy h MET 268 Ca 0.00 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1ofy h MET 268 Cb 0.22 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1ofy h MET 268 CO -0.03 0.62 0.11 0.78 1.06 0.00 0.00 176.91 179.45 1ofy h GLY 269 N 1.11 0.25 0.79 8.32 0.00 -0.74 0.55 103.07 113.35 1ofy h GLY 269 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 1ofy h GLY 269 CO 0.06 0.08 0.01 0.00 0.00 0.00 0.00 176.54 176.69 1ofy h HIS 271 N -0.11 -0.00 -0.32 0.00 3.86 -1.16 0.89 115.15 118.31 1ofy h HIS 271 Ca 0.02 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 1ofy h HIS 271 Cb 0.27 0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.81 1ofy h HIS 271 CO 0.01 -0.12 0.08 -0.22 0.86 0.00 0.00 177.93 178.54 1ofy h LYS 272 N 0.14 0.51 -0.60 2.45 3.64 -0.85 0.17 116.57 122.03 1ofy h LYS 272 Ca 0.29 -0.12 0.10 0.00 -1.27 0.00 0.00 60.65 59.64 1ofy h LYS 272 Cb 0.45 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.16 1ofy h LYS 272 CO -0.46 0.57 0.40 0.78 -2.27 0.00 0.00 179.45 178.48 1ofy h GLY 273 N 0.36 0.59 -1.41 5.01 0.00 0.64 -2.17 103.07 106.09 1ofy h GLY 273 Ca 0.10 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1ofy h GLY 273 CO 0.00 0.11 -0.20 1.15 0.00 0.00 0.00 176.54 177.60 1ofy n MET 274 N -4.47 1.80 -3.80 4.80 0.00 -0.45 -4.31 117.12 110.69 1ofy n MET 274 Ca 0.10 -3.12 -0.30 0.00 0.00 0.00 0.00 57.70 54.38 1ofy n MET 274 Cb 0.36 -1.72 0.02 0.00 0.00 0.00 0.00 33.22 31.88 1ofy n MET 274 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1ofy n ASP 275 N -1.10 -3.26 -4.72 3.17 8.00 -0.82 -4.92 116.55 112.90 1ofy n ASP 275 Ca 0.25 -1.02 -0.42 0.00 0.71 0.00 0.00 54.79 54.31 1ofy n ASP 275 Cb 0.86 -3.19 -0.03 0.00 -0.02 0.00 0.00 41.12 38.75 1ofy n ASP 275 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ofy s VAL 276 N -3.66 3.37 0.19 2.53 1.01 0.56 -4.90 120.40 119.50 1ofy s VAL 276 Ca 0.29 1.02 0.06 0.00 0.00 0.00 0.00 61.98 63.35 1ofy s VAL 276 Cb -0.11 -3.65 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 1ofy s VAL 276 CO 0.88 0.10 1.44 0.00 0.00 0.00 0.00 175.10 177.52 1ofy h ALA 277 N 6.41 0.65 -3.20 5.51 0.00 -1.91 -3.44 119.26 123.28 1ofy h ALA 277 Ca -0.43 -0.71 -0.20 0.00 0.00 0.00 0.00 54.91 53.57 1ofy h ALA 277 Cb 1.21 -0.11 -0.29 0.00 0.00 0.00 0.00 17.79 18.61 1ofy h ALA 277 CO 0.83 0.94 -0.52 0.50 0.00 0.00 0.00 179.25 181.00 1ofy s ARG 278 N -3.24 0.18 0.32 0.00 3.52 -1.26 -4.01 118.95 114.45 1ofy s ARG 278 Ca -0.01 0.37 -0.18 0.00 -0.13 0.00 0.00 55.73 55.77 1ofy s ARG 278 Cb 0.11 -0.04 -0.09 0.00 -1.56 0.00 0.00 34.95 33.37 1ofy s ARG 278 CO 0.80 -0.10 0.79 -1.25 -0.81 0.00 0.00 175.30 174.73 1ofy s PRO 279 N 0.74 4.15 0.60 5.12 0.04 -1.26 -5.17 135.00 139.23 1ofy s PRO 279 Ca -0.05 0.86 -0.16 0.00 0.04 0.00 0.00 61.00 61.68 1ofy s PRO 279 Cb -0.07 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.92 1ofy s PRO 279 CO -0.04 0.19 1.08 1.03 0.04 0.00 0.00 177.00 179.30 1ofy s ARG 280 N -2.70 3.19 0.58 4.56 0.52 -1.26 -4.94 118.95 118.91 1ofy s ARG 280 Ca 0.53 1.31 0.39 0.00 -0.52 0.00 0.00 55.73 57.44 1ofy s ARG 280 Cb -0.12 -2.01 2.10 0.00 0.52 0.00 0.00 34.95 35.44 1ofy s ARG 280 CO 0.18 -0.93 2.20 -0.44 0.02 0.00 0.00 175.30 176.33 1ofy h ASP 281 N 0.47 0.00 0.28 0.23 3.32 -1.96 -1.28 116.42 117.47 1ofy h ASP 281 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1ofy h ASP 281 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1ofy h ASP 281 CO 0.56 0.00 -0.69 0.35 -1.72 0.00 0.00 179.24 177.74 1ofy n THR 282 N -2.89 0.00 -2.53 0.35 -2.24 -1.26 -4.75 114.28 100.95 1ofy n THR 282 Ca -0.02 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.34 1ofy n THR 282 Cb 0.08 0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 1ofy n THR 282 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1ofy s ASP 283 N -2.97 6.14 0.00 3.42 -1.08 -0.49 -4.91 116.67 116.79 1ofy s ASP 283 Ca 0.10 -0.40 0.21 0.00 -0.52 0.00 0.00 52.55 51.94 1ofy s ASP 283 Cb 0.17 -2.56 0.79 0.00 -1.46 0.00 0.00 42.92 39.86 1ofy s ASP 283 CO 0.76 -1.84 1.57 0.00 0.52 0.00 0.00 175.17 176.17 1ofy n THR 285 N 0.20 0.00 0.18 0.00 -2.24 -1.26 -4.55 114.28 106.61 1ofy n THR 285 Ca 0.16 -0.24 0.03 0.00 -2.27 0.00 0.00 64.05 61.73 1ofy n THR 285 Cb 0.30 0.76 0.38 0.00 -2.10 0.00 0.00 70.33 69.66 1ofy n THR 285 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1ofy h THR 286 N 0.00 1.24 0.00 4.28 2.02 -1.98 -2.77 112.91 115.70 1ofy h THR 286 Ca 0.00 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.06 1ofy h THR 286 Cb 0.00 1.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1ofy h THR 286 CO 0.00 0.32 -0.80 0.00 0.37 0.00 0.00 175.52 175.41 1ofy s HIS 288 N -3.33 -1.44 0.49 0.00 0.00 -1.05 -4.17 115.29 105.79 1ofy s HIS 288 Ca 0.01 1.92 -0.23 0.00 -3.00 0.00 0.00 55.06 53.76 1ofy s HIS 288 Cb 0.09 0.65 -0.08 0.00 -4.00 0.00 0.00 32.58 29.24 1ofy s HIS 288 CO 0.76 -0.76 1.24 1.17 -1.00 0.00 0.00 174.74 176.15 1ofy n LYS 289 N 5.43 1.67 -1.91 -0.38 4.81 -1.16 -4.22 118.16 122.40 1ofy n LYS 289 Ca -0.06 0.61 -0.40 0.00 -0.87 0.00 0.00 58.31 57.59 1ofy n LYS 289 Cb 0.50 -2.39 0.00 0.00 0.02 0.00 0.00 35.03 33.17 1ofy n LYS 289 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ofy s ALA 290 N -1.28 3.33 0.29 3.14 0.00 -1.26 -1.07 121.76 124.90 1ofy s ALA 290 Ca 0.66 1.39 -0.28 0.00 0.00 0.00 0.00 51.96 53.74 1ofy s ALA 290 Cb -0.47 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.01 1ofy s ALA 290 CO 0.54 -1.00 0.95 0.00 0.00 0.00 0.00 175.76 176.25 1ofy s ALA 291 N -1.20 3.27 -0.26 0.00 0.00 -0.62 -4.57 121.76 118.37 1ofy s ALA 291 Ca 0.57 0.58 -0.29 0.00 0.00 0.00 0.00 51.96 52.83 1ofy s ALA 291 Cb -0.42 -3.20 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 1ofy s ALA 291 CO 0.55 0.17 1.74 -2.14 0.00 0.00 0.00 175.76 176.08 1ofy s PRO 292 N -1.67 3.57 0.00 0.00 0.02 -1.26 -4.94 135.00 130.71 1ofy s PRO 292 Ca 0.46 1.61 0.00 0.00 0.02 0.00 0.00 61.00 63.09 1ofy s PRO 292 Cb -0.22 -4.13 0.00 0.00 0.02 0.00 0.00 34.50 30.17 1ofy s PRO 292 CO 0.28 -1.58 0.00 1.17 -0.33 0.00 0.00 177.00 176.54