#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijx s ALA 2 N 0.00 2.71 0.83 0.00 0.00 -1.26 -5.08 121.76 118.96 1ijx s ALA 2 Ca 0.00 -2.10 -0.14 0.00 0.00 0.00 0.00 51.96 49.73 1ijx s ALA 2 Cb 0.00 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.41 1ijx s ALA 2 CO 0.00 -0.11 0.88 0.00 0.00 0.00 0.00 175.76 176.53 1ijx s GLU 4 N -3.75 0.58 0.44 0.00 -1.05 0.20 -4.96 118.70 110.16 1ijx s GLU 4 Ca 0.68 -0.17 -0.25 0.00 -0.15 0.00 0.00 54.97 55.07 1ijx s GLU 4 Cb -0.28 0.25 -0.08 0.00 -0.44 0.00 0.00 34.13 33.58 1ijx s GLU 4 CO 0.56 -0.15 1.37 -1.25 0.95 0.00 0.00 175.26 176.75 1ijx s PRO 5 N -1.16 3.75 0.13 -4.83 0.04 -1.26 0.07 135.00 131.73 1ijx s PRO 5 Ca -0.12 2.30 -0.31 0.00 0.04 0.00 0.00 61.00 62.90 1ijx s PRO 5 Cb -0.05 -2.66 -0.08 0.00 0.04 0.00 0.00 34.50 31.75 1ijx s PRO 5 CO 0.03 -0.72 1.41 0.08 0.04 0.00 0.00 177.00 177.83 1ijx s VAL 6 N -1.24 3.21 0.00 -0.36 1.01 0.62 -4.73 120.40 118.91 1ijx s VAL 6 Ca 0.60 0.87 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1ijx s VAL 6 Cb -0.41 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1ijx s VAL 6 CO 0.53 0.07 0.35 0.54 0.00 0.00 0.00 175.10 176.59 1ijx n ARG 7 N 3.86 0.80 -2.34 2.72 1.74 -1.26 -4.97 116.66 117.21 1ijx n ARG 7 Ca 0.11 -0.35 -0.43 0.00 -0.77 0.00 0.00 57.85 56.41 1ijx n ARG 7 Cb 0.42 -0.84 -0.02 0.00 -1.02 0.00 0.00 32.46 30.99 1ijx n ARG 7 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ijx s ILE 8 N -0.22 4.07 0.16 0.55 1.01 -1.26 -4.92 121.20 120.59 1ijx s ILE 8 Ca 0.00 1.24 -0.31 0.00 0.00 0.00 0.00 60.65 61.59 1ijx s ILE 8 Cb 0.00 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.43 1ijx s ILE 8 CO 0.00 -0.31 1.54 -0.65 0.00 0.00 0.00 174.94 175.53 1ijx h PRO 9 N 9.21 -0.07 0.00 2.79 0.11 -1.96 -1.65 132.00 140.42 1ijx h PRO 9 Ca -0.28 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.83 1ijx h PRO 9 Cb 1.11 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ijx h PRO 9 CO 1.00 -0.05 -0.02 -0.07 -0.21 0.00 0.00 178.00 178.65 1ijx h LEU 10 N -0.08 0.00 -0.03 2.35 3.38 -2.00 -2.47 115.31 116.47 1ijx h LEU 10 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ijx h LEU 10 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ijx h LEU 10 CO -0.87 0.02 -0.29 0.00 0.09 0.00 0.00 178.44 177.38 1ijx h LYS 12 N 0.07 0.00 0.00 0.00 1.57 -1.38 -1.89 116.57 114.94 1ijx h LYS 12 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ijx h LYS 12 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1ijx h LYS 12 CO 0.00 0.06 0.00 -1.13 -0.57 0.00 0.00 179.45 177.81 1ijx n SER 13 N -3.36 0.44 -4.85 0.86 3.41 -1.26 -4.81 113.62 104.05 1ijx n SER 13 Ca -0.01 0.57 -0.31 0.00 -0.26 0.00 0.00 58.87 58.85 1ijx n SER 13 Cb 0.21 -0.68 0.02 0.00 -0.26 0.00 0.00 64.21 63.50 1ijx n SER 13 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1ijx s LEU 14 N -3.88 3.24 0.29 1.04 1.43 -0.71 -4.99 118.68 115.09 1ijx s LEU 14 Ca 0.09 1.50 0.04 0.00 -1.03 0.00 0.00 54.13 54.72 1ijx s LEU 14 Cb 0.12 -4.48 0.65 0.00 0.03 0.00 0.00 46.19 42.51 1ijx s LEU 14 CO 0.46 -1.03 1.80 -0.65 0.23 0.00 0.00 176.35 177.16 1ijx h PRO 15 N -0.33 0.81 -6.22 1.29 0.11 -1.87 -3.44 132.00 122.35 1ijx h PRO 15 Ca -0.44 -0.05 -0.51 0.00 0.11 0.00 0.00 66.00 65.11 1ijx h PRO 15 Cb 1.20 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1ijx h PRO 15 CO 0.60 0.54 -0.36 1.67 -0.21 0.00 0.00 178.00 180.24 1ijx s TRP 16 N -5.90 3.48 0.00 0.65 -2.14 -1.26 -5.02 118.94 108.74 1ijx s TRP 16 Ca -0.12 0.21 0.00 0.00 2.66 0.00 0.00 56.10 58.86 1ijx s TRP 16 Cb 0.24 -1.76 0.00 0.00 -3.10 0.00 0.00 33.47 28.85 1ijx s TRP 16 CO 0.80 0.38 0.28 -0.85 -2.66 0.00 0.00 176.95 174.90 1ijx n GLU 17 N -0.98 -0.18 -4.98 3.25 0.28 -1.26 -4.93 120.64 111.83 1ijx n GLU 17 Ca -0.06 -0.31 -0.32 0.00 -0.16 0.00 0.00 57.16 56.31 1ijx n GLU 17 Cb 0.55 -0.71 -0.16 0.00 1.43 0.00 0.00 31.44 32.55 1ijx n GLU 17 CO 0.00 0.00 0.00 -1.64 -0.16 0.00 0.00 177.13 175.33 1ijx s MET 18 N -0.06 3.10 0.00 3.44 -1.94 -1.26 -0.27 119.30 122.31 1ijx s MET 18 Ca 0.00 -0.84 0.00 0.00 -1.71 0.00 0.00 55.69 53.14 1ijx s MET 18 Cb 0.00 -2.40 0.00 0.00 2.01 0.00 0.00 34.83 34.44 1ijx s MET 18 CO 0.00 0.13 0.00 -2.37 -0.01 0.00 0.00 175.02 172.77 1ijx n THR 19 N 3.69 0.00 -3.62 2.05 5.66 0.11 -0.99 114.28 121.19 1ijx n THR 19 Ca -0.19 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.67 1ijx n THR 19 Cb 0.53 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.24 1ijx n THR 19 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1ijx s LYS 20 N -1.88 0.80 0.24 1.09 2.20 -1.23 -0.63 119.74 120.34 1ijx s LYS 20 Ca 0.00 0.82 0.06 0.00 -0.36 0.00 0.00 55.97 56.49 1ijx s LYS 20 Cb 0.00 0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 36.68 1ijx s LYS 20 CO 0.00 -0.12 0.22 -1.64 -0.36 0.00 0.00 175.35 173.45 1ijx s MET 21 N 0.12 3.02 0.56 4.03 -1.94 -1.26 -4.25 119.30 119.58 1ijx s MET 21 Ca -0.01 -0.98 -0.18 0.00 -1.71 0.00 0.00 55.69 52.81 1ijx s MET 21 Cb -0.04 -2.63 -0.05 0.00 2.01 0.00 0.00 34.83 34.11 1ijx s MET 21 CO 0.01 0.41 1.07 -1.25 -0.01 0.00 0.00 175.02 175.26 1ijx s PRO 22 N -3.80 3.42 0.00 2.03 0.04 -1.26 -4.96 135.00 130.46 1ijx s PRO 22 Ca 0.33 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1ijx s PRO 22 Cb -0.08 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1ijx s PRO 22 CO 0.26 -0.75 0.00 0.27 0.04 0.00 0.00 177.00 176.82 1ijx n ASN 23 N -1.58 0.00 -0.21 6.66 0.23 -1.11 -4.62 115.26 114.62 1ijx n ASN 23 Ca 0.10 -0.77 0.07 0.00 -0.53 0.00 0.00 54.58 53.45 1ijx n ASN 23 Cb 0.52 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.58 1ijx n ASN 23 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1ijx n HIS 24 N -1.47 0.10 0.25 -2.53 8.25 -0.32 -2.10 115.22 117.40 1ijx n HIS 24 Ca 0.00 -0.05 0.07 0.00 -0.26 0.00 0.00 57.72 57.48 1ijx n HIS 24 Cb 0.00 0.00 0.12 0.00 1.12 0.00 0.00 29.99 31.23 1ijx n HIS 24 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ijx n LEU 25 N -0.31 2.60 -0.97 2.41 7.99 -1.26 -4.97 117.00 122.50 1ijx n LEU 25 Ca 0.12 -1.42 -0.10 0.00 -0.01 0.00 0.00 56.01 54.60 1ijx n LEU 25 Cb 0.15 -0.12 -0.03 0.00 -0.11 0.00 0.00 43.42 43.31 1ijx n LEU 25 CO 0.09 0.56 -0.11 1.41 -1.51 0.00 0.00 177.39 177.83 1ijx n HIS 26 N 0.80 -0.22 -2.47 -1.77 8.25 -0.89 -5.00 115.22 113.92 1ijx n HIS 26 Ca 0.11 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.16 1ijx n HIS 26 Cb 0.41 -2.20 -0.04 0.00 1.12 0.00 0.00 29.99 29.28 1ijx n HIS 26 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1ijx s HIS 27 N -2.44 3.54 -0.20 4.41 3.76 -1.26 -4.85 115.29 118.25 1ijx s HIS 27 Ca 0.00 1.55 0.17 0.00 -0.15 0.00 0.00 55.06 56.64 1ijx s HIS 27 Cb 0.00 -3.32 0.07 0.00 1.11 0.00 0.00 32.58 30.44 1ijx s HIS 27 CO 0.00 -0.77 1.33 0.77 -0.85 0.00 0.00 174.74 175.22 1ijx h SER 28 N 5.10 0.00 -4.41 1.40 0.02 -1.96 -2.93 113.55 110.77 1ijx h SER 28 Ca -0.44 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.08 1ijx h SER 28 Cb 1.21 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.54 1ijx h SER 28 CO 0.73 0.39 -0.78 0.42 -1.14 0.00 0.00 176.83 176.45 1ijx s THR 29 N -3.03 1.19 0.27 -2.27 -4.23 -1.26 -4.71 115.64 101.61 1ijx s THR 29 Ca 0.03 -1.37 0.23 0.00 -1.18 0.00 0.00 61.69 59.40 1ijx s THR 29 Cb 0.07 -1.17 0.23 0.00 1.34 0.00 0.00 72.50 72.97 1ijx s THR 29 CO 0.75 -0.23 1.91 -0.61 -0.54 0.00 0.00 174.62 175.90 1ijx h GLN 30 N 4.19 0.00 -0.77 3.99 4.15 -1.94 -3.01 115.11 121.72 1ijx h GLN 30 Ca -0.41 0.00 0.17 0.00 0.77 0.00 0.00 58.65 59.17 1ijx h GLN 30 Cb 1.19 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.77 1ijx h GLN 30 CO 0.41 0.22 0.25 0.00 -1.93 0.00 0.00 178.83 177.78 1ijx h ALA 31 N 1.78 1.07 0.00 3.38 0.00 -2.00 -0.06 119.26 123.43 1ijx h ALA 31 Ca -0.00 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1ijx h ALA 31 Cb 0.61 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1ijx h ALA 31 CO 0.03 -0.30 -0.40 -0.91 0.00 0.00 0.00 179.25 177.67 1ijx h ASN 32 N 0.34 0.00 0.37 0.00 2.35 -1.97 -2.99 115.58 113.69 1ijx h ASN 32 Ca 0.44 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 56.06 1ijx h ASN 32 Cb 0.75 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 1ijx h ASN 32 CO -0.49 0.40 -0.55 0.00 -1.65 0.00 0.00 177.43 175.14 1ijx h ALA 33 N 1.60 0.96 -0.40 -0.83 0.00 -1.15 -2.93 119.26 116.51 1ijx h ALA 33 Ca -0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1ijx h ALA 33 Cb 1.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1ijx h ALA 33 CO 0.05 0.69 0.18 0.82 0.00 0.00 0.00 179.25 180.99 1ijx h ILE 34 N 0.15 1.19 -0.92 0.00 2.04 -1.13 -2.00 117.51 116.83 1ijx h ILE 34 Ca -0.00 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1ijx h ILE 34 Cb 1.01 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1ijx h ILE 34 CO 0.08 0.20 0.52 0.25 0.00 0.00 0.00 178.15 179.21 1ijx h LEU 35 N 0.51 1.13 0.17 1.44 5.85 -1.52 -3.03 115.31 119.86 1ijx h LEU 35 Ca 0.14 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1ijx h LEU 35 Cb 0.15 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1ijx h LEU 35 CO -0.01 0.89 -0.08 0.00 -0.34 0.00 0.00 178.44 178.89 1ijx h ALA 36 N 1.30 -0.23 -0.70 1.25 0.00 -1.29 -2.92 119.26 116.67 1ijx h ALA 36 Ca 0.33 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.31 1ijx h ALA 36 Cb -0.01 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1ijx h ALA 36 CO -0.06 -0.58 0.48 0.52 0.00 0.00 0.00 179.25 179.61 1ijx h MET 37 N -0.33 0.20 -0.61 0.00 2.86 -1.29 0.08 114.93 115.84 1ijx h MET 37 Ca -0.02 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.69 1ijx h MET 37 Cb 0.26 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 1ijx h MET 37 CO 0.04 0.13 0.40 0.93 1.06 0.00 0.00 176.91 179.47 1ijx h GLU 38 N 0.20 0.48 0.00 1.72 5.08 -1.40 -0.15 114.58 120.52 1ijx h GLU 38 Ca 0.34 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1ijx h GLU 38 Cb 1.04 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1ijx h GLU 38 CO -0.06 0.32 -0.07 -0.56 -1.00 0.00 0.00 179.01 177.63 1ijx h GLN 39 N 0.49 0.00 -0.04 2.33 3.07 -1.06 -2.91 115.11 116.99 1ijx h GLN 39 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.01 1ijx h GLN 39 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 1ijx h GLN 39 CO -0.08 0.07 0.00 1.19 0.09 0.00 0.00 178.83 180.10 1ijx n PHE 40 N -3.25 0.03 -0.32 0.06 3.01 -0.08 -4.35 117.46 112.56 1ijx n PHE 40 Ca -0.00 -0.01 0.03 0.00 1.01 0.00 0.00 57.45 58.47 1ijx n PHE 40 Cb 0.30 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 39.94 1ijx n PHE 40 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1ijx h GLU 41 N 3.38 0.92 0.09 -1.08 5.08 -1.44 0.10 114.58 121.63 1ijx h GLU 41 Ca 0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1ijx h GLU 41 Cb 0.72 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ijx h GLU 41 CO 0.00 0.61 -0.04 0.78 -1.00 0.00 0.00 179.01 179.35 1ijx h GLY 42 N 0.95 -0.13 0.99 -3.84 0.00 -1.82 -1.66 103.07 97.55 1ijx h GLY 42 Ca 0.41 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 1ijx h GLY 42 CO -0.21 -0.05 0.30 -2.00 0.00 0.00 0.00 176.54 174.58 1ijx h LEU 43 N -0.24 0.67 -1.89 3.11 5.85 -1.76 -1.80 115.31 119.26 1ijx h LEU 43 Ca -0.01 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1ijx h LEU 43 Cb 0.20 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1ijx h LEU 43 CO 0.02 0.56 0.07 -0.07 -0.34 0.00 0.00 178.44 178.68 1ijx h LEU 44 N 0.73 0.13 -0.40 2.25 3.38 -0.88 -1.71 115.31 118.80 1ijx h LEU 44 Ca 0.19 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ijx h LEU 44 Cb 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1ijx h LEU 44 CO -0.03 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1ijx n GLY 45 N -1.51 -1.38 0.08 0.83 0.00 -0.63 -2.44 105.19 100.13 1ijx n GLY 45 Ca -0.01 0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.17 1ijx n GLY 45 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ijx n THR 46 N -2.13 0.45 -3.73 2.61 -2.24 -0.64 -4.93 114.28 103.66 1ijx n THR 46 Ca 0.03 -0.24 -0.25 0.00 -2.27 0.00 0.00 64.05 61.32 1ijx n THR 46 Cb 0.28 -0.42 0.05 0.00 -2.10 0.00 0.00 70.33 68.15 1ijx n THR 46 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ijx n HIS 47 N -2.12 -2.37 0.28 4.78 -0.00 -1.02 -4.87 115.22 109.90 1ijx n HIS 47 Ca 0.05 0.93 0.15 0.00 -0.00 0.00 0.00 57.72 58.85 1ijx n HIS 47 Cb 0.42 -4.49 0.47 0.00 -0.00 0.00 0.00 29.99 26.39 1ijx n HIS 47 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1ijx s SER 49 N -5.74 -0.75 0.00 0.00 0.15 -1.26 -4.08 113.70 102.02 1ijx s SER 49 Ca 0.04 1.25 0.15 0.00 0.70 0.00 0.00 55.95 58.09 1ijx s SER 49 Cb 0.08 1.19 0.66 0.00 -1.71 0.00 0.00 66.02 66.24 1ijx s SER 49 CO 0.58 -0.22 1.48 -0.81 1.20 0.00 0.00 173.24 175.48 1ijx n PRO 50 N 4.42 0.02 0.00 5.44 -0.04 -1.26 -2.45 135.00 141.13 1ijx n PRO 50 Ca -0.20 0.23 0.10 0.00 -0.04 0.00 0.00 63.50 63.59 1ijx n PRO 50 Cb 0.56 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 1ijx n PRO 50 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ijx n ASP 51 N -1.48 1.24 -0.16 3.54 8.00 -1.26 -4.56 116.55 121.87 1ijx n ASP 51 Ca 0.04 -1.11 -0.04 0.00 0.71 0.00 0.00 54.79 54.39 1ijx n ASP 51 Cb 0.17 0.86 0.06 0.00 -0.02 0.00 0.00 41.12 42.19 1ijx n ASP 51 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1ijx h LEU 52 N 0.58 0.29 -0.33 0.64 5.85 -1.84 -0.63 115.31 119.87 1ijx h LEU 52 Ca 0.00 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 1ijx h LEU 52 Cb 0.56 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 1ijx h LEU 52 CO 0.00 0.20 0.19 0.25 -0.34 0.00 0.00 178.44 178.74 1ijx h LEU 53 N 0.44 0.41 -0.23 2.25 5.85 -1.80 -0.30 115.31 121.93 1ijx h LEU 53 Ca 0.23 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1ijx h LEU 53 Cb 0.18 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1ijx h LEU 53 CO -0.19 0.37 0.11 0.15 -0.34 0.00 0.00 178.44 178.53 1ijx h PHE 54 N 0.42 0.20 0.19 1.25 3.57 -1.76 -1.20 116.94 119.62 1ijx h PHE 54 Ca 0.12 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 1ijx h PHE 54 Cb 0.04 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1ijx h PHE 54 CO -0.03 0.11 -0.12 0.35 -2.23 0.00 0.00 178.31 176.39 1ijx h PHE 55 N 0.23 -0.31 -0.74 0.41 3.57 -0.88 0.90 116.94 120.13 1ijx h PHE 55 Ca 0.10 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1ijx h PHE 55 Cb 0.03 0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 1ijx h PHE 55 CO -0.10 -0.19 0.47 -0.07 -2.23 0.00 0.00 178.31 176.20 1ijx h LEU 56 N -0.30 0.79 -0.79 0.59 3.38 -0.97 -1.80 115.31 116.20 1ijx h LEU 56 Ca -0.02 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 1ijx h LEU 56 Cb 0.26 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1ijx h LEU 56 CO 0.01 0.56 -0.55 0.00 0.09 0.00 0.00 178.44 178.55 1ijx h ALA 58 N 1.32 1.30 0.07 0.00 0.00 -0.33 0.01 119.26 121.64 1ijx h ALA 58 Ca -0.00 -0.17 -0.28 0.00 0.00 0.00 0.00 54.91 54.46 1ijx h ALA 58 Cb 1.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 1ijx h ALA 58 CO 0.08 0.24 -1.48 0.52 0.00 0.00 0.00 179.25 178.61 1ijx h MET 59 N 0.00 0.15 0.00 0.00 2.07 -0.68 -3.29 114.93 113.18 1ijx h MET 59 Ca -0.00 -0.26 -0.18 0.00 -2.07 0.00 0.00 59.70 57.19 1ijx h MET 59 Cb 0.46 0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 30.25 1ijx h MET 59 CO 0.02 1.12 -0.98 1.88 1.07 0.00 0.00 176.91 180.03 1ijx h TYR 60 N -0.49 0.00 -1.37 -0.22 -1.99 -0.73 -0.83 116.97 111.34 1ijx h TYR 60 Ca -0.35 0.00 -0.45 0.00 2.00 0.00 0.00 58.73 59.93 1ijx h TYR 60 Cb 1.64 0.00 -0.31 0.00 2.00 0.00 0.00 36.73 40.06 1ijx h TYR 60 CO 0.11 0.79 -0.92 0.00 -0.00 0.00 0.00 178.16 178.14 1ijx n ALA 61 N -2.34 1.21 -1.74 3.88 0.00 -0.02 -4.77 120.51 116.74 1ijx n ALA 61 Ca -0.03 -2.77 -0.38 0.00 0.00 0.00 0.00 53.44 50.26 1ijx n ALA 61 Cb 0.88 -0.98 0.05 0.00 0.00 0.00 0.00 19.45 19.40 1ijx n ALA 61 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ijx s PRO 62 N -0.63 2.95 0.35 0.00 0.04 -1.22 -4.64 135.00 131.85 1ijx s PRO 62 Ca 0.34 2.21 -0.29 0.00 0.04 0.00 0.00 61.00 63.30 1ijx s PRO 62 Cb 0.20 -2.14 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 1ijx s PRO 62 CO -0.15 -1.33 1.54 1.51 0.04 0.00 0.00 177.00 178.61 1ijx n ILE 63 N -1.29 1.62 -2.64 0.56 3.06 -1.26 -3.51 119.36 115.90 1ijx n ILE 63 Ca 0.12 -0.40 -0.41 0.00 -2.50 0.00 0.00 62.75 59.55 1ijx n ILE 63 Cb 0.46 -1.99 -0.04 0.00 0.54 0.00 0.00 39.64 38.60 1ijx n ILE 63 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1ijx s THR 65 N -0.07 0.58 0.08 0.00 -4.23 -1.26 -4.99 115.64 105.75 1ijx s THR 65 Ca 0.48 -1.93 0.08 0.00 -1.18 0.00 0.00 61.69 59.14 1ijx s THR 65 Cb -0.26 -1.82 -0.22 0.00 1.34 0.00 0.00 72.50 71.55 1ijx s THR 65 CO 0.32 -0.74 1.14 0.40 -0.54 0.00 0.00 174.62 175.20 1ijx h ILE 66 N 2.90 1.52 -4.27 2.99 2.04 -2.02 -3.45 117.51 117.23 1ijx h ILE 66 Ca -0.35 -3.26 -0.49 0.00 1.00 0.00 0.00 64.86 61.76 1ijx h ILE 66 Cb 1.18 2.76 0.12 0.00 -0.74 0.00 0.00 36.82 40.13 1ijx h ILE 66 CO 0.64 0.87 0.33 -1.81 0.00 0.00 0.00 178.15 178.18 1ijx s ASP 67 N -6.60 4.43 -1.15 1.72 1.01 -1.26 -4.30 116.67 110.53 1ijx s ASP 67 Ca -0.00 1.36 -0.04 0.00 0.71 0.00 0.00 52.55 54.58 1ijx s ASP 67 Cb 0.09 -2.10 -0.03 0.00 1.01 0.00 0.00 42.92 41.90 1ijx s ASP 67 CO 0.82 -2.01 0.91 0.49 0.21 0.00 0.00 175.17 175.59 1ijx n PHE 68 N -3.47 -2.25 -0.02 4.23 0.99 -1.26 -4.88 117.46 110.81 1ijx n PHE 68 Ca 0.07 0.86 -0.09 0.00 -0.00 0.00 0.00 57.45 58.29 1ijx n PHE 68 Cb 0.56 -4.48 -0.02 0.00 -1.00 0.00 0.00 39.48 34.53 1ijx n PHE 68 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.76 177.13 1ijx h GLN 69 N -1.56 -0.16 0.01 -1.08 5.75 -1.89 -3.22 115.11 112.96 1ijx h GLN 69 Ca -0.61 0.01 -0.24 0.00 -0.15 0.00 0.00 58.65 57.66 1ijx h GLN 69 Cb 1.33 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.88 1ijx h GLN 69 CO 0.48 -0.11 -1.24 0.45 -2.65 0.00 0.00 178.83 175.77 1ijx h HIS 70 N -0.17 0.04 -3.02 3.99 3.86 -1.96 -3.43 115.15 114.46 1ijx h HIS 70 Ca 0.11 -0.03 -0.56 0.00 -1.16 0.00 0.00 60.37 58.73 1ijx h HIS 70 Cb 0.33 -0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.40 1ijx h HIS 70 CO -0.29 1.03 -0.77 -2.00 0.86 0.00 0.00 177.93 176.76 1ijx s GLU 71 N -2.67 0.51 1.03 2.45 2.12 -1.22 -4.69 118.70 116.22 1ijx s GLU 71 Ca -0.01 -0.84 -0.15 0.00 0.36 0.00 0.00 54.97 54.33 1ijx s GLU 71 Cb 0.09 -1.68 0.06 0.00 0.26 0.00 0.00 34.13 32.87 1ijx s GLU 71 CO 0.82 -0.98 0.21 -2.30 -0.54 0.00 0.00 175.26 172.47 1ijx n PRO 72 N 5.01 -0.86 -1.79 4.30 -0.02 -1.22 -4.77 135.00 135.66 1ijx n PRO 72 Ca -0.04 -0.22 -0.38 0.00 -2.02 0.00 0.00 63.50 60.84 1ijx n PRO 72 Cb 0.42 -1.77 0.04 0.00 -0.02 0.00 0.00 33.50 32.17 1ijx n PRO 72 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1ijx s ILE 73 N -2.32 2.08 0.28 4.25 2.07 -1.26 -5.02 121.20 121.28 1ijx s ILE 73 Ca 0.56 0.06 0.08 0.00 -1.41 0.00 0.00 60.65 59.95 1ijx s ILE 73 Cb -0.17 -3.03 -0.04 0.00 0.13 0.00 0.00 42.46 39.35 1ijx s ILE 73 CO 0.67 -0.00 0.12 -0.54 -1.91 0.00 0.00 174.94 173.28 1ijx s LYS 74 N -2.91 2.57 0.54 3.50 1.02 -1.26 -4.71 119.74 118.48 1ijx s LYS 74 Ca 0.72 -1.30 -0.19 0.00 0.02 0.00 0.00 55.97 55.22 1ijx s LYS 74 Cb -0.40 -2.33 -0.06 0.00 -0.52 0.00 0.00 37.83 34.51 1ijx s LYS 74 CO 0.48 0.31 1.08 -1.25 -0.92 0.00 0.00 175.35 175.05 1ijx s PRO 75 N -3.79 3.47 0.52 -1.68 0.04 -1.26 -1.26 135.00 131.03 1ijx s PRO 75 Ca 0.34 1.45 -0.22 0.00 0.04 0.00 0.00 61.00 62.61 1ijx s PRO 75 Cb -0.06 -2.04 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 1ijx s PRO 75 CO 0.23 -0.72 1.27 0.00 0.04 0.00 0.00 177.00 177.82 1ijx h LYS 77 N 1.65 0.47 -0.24 0.00 3.64 -1.93 -1.72 116.57 118.45 1ijx h LYS 77 Ca -0.50 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 58.76 1ijx h LYS 77 Cb 1.28 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1ijx h LYS 77 CO 0.58 0.31 -0.23 0.66 -2.27 0.00 0.00 179.45 178.50 1ijx h SER 78 N 0.49 0.43 -0.48 4.20 4.64 -1.95 -0.81 113.55 120.08 1ijx h SER 78 Ca 0.33 -0.14 -0.12 0.00 -0.47 0.00 0.00 61.79 61.39 1ijx h SER 78 Cb 0.63 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 1ijx h SER 78 CO -0.11 0.67 -0.18 0.58 -0.87 0.00 0.00 176.83 176.93 1ijx h VAL 79 N 0.39 1.27 -0.52 0.95 2.07 -1.69 -1.82 116.25 116.90 1ijx h VAL 79 Ca 0.06 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1ijx h VAL 79 Cb 0.63 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1ijx h VAL 79 CO 0.04 0.46 0.27 0.00 0.02 0.00 0.00 177.57 178.36 1ijx h GLU 81 N 0.69 0.76 -0.33 0.00 5.08 -1.01 0.84 114.58 120.61 1ijx h GLU 81 Ca 0.18 -0.18 -0.16 0.00 -1.00 0.00 0.00 59.36 58.20 1ijx h GLU 81 Cb 0.08 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1ijx h GLU 81 CO -0.03 0.74 -0.44 0.00 -1.00 0.00 0.00 179.01 178.28 1ijx h ARG 82 N 0.72 0.85 -0.39 2.33 3.08 -1.10 -0.39 114.38 119.48 1ijx h ARG 82 Ca 0.15 -0.47 -0.07 0.00 0.07 0.00 0.00 59.98 59.66 1ijx h ARG 82 Cb 0.37 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 1ijx h ARG 82 CO 0.01 1.11 -0.04 0.00 -1.07 0.00 0.00 179.97 179.98 1ijx h ALA 83 N 0.82 0.53 -0.57 0.04 0.00 -0.99 -2.26 119.26 116.83 1ijx h ALA 83 Ca 0.04 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1ijx h ALA 83 Cb 1.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1ijx h ALA 83 CO 0.10 0.34 0.07 -0.09 0.00 0.00 0.00 179.25 179.67 1ijx h ARG 84 N 0.53 0.96 -0.73 0.00 2.43 -0.79 -1.09 114.38 115.68 1ijx h ARG 84 Ca 0.10 -0.27 0.04 0.00 -0.81 0.00 0.00 59.98 59.04 1ijx h ARG 84 Cb 0.54 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 1ijx h ARG 84 CO 0.03 0.93 0.46 0.37 -1.51 0.00 0.00 179.97 180.24 1ijx h GLN 85 N 0.85 0.85 0.03 0.20 4.15 -0.93 0.24 115.11 120.49 1ijx h GLN 85 Ca 0.17 -0.05 -0.24 0.00 0.77 0.00 0.00 58.65 59.30 1ijx h GLN 85 Cb 0.45 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1ijx h GLN 85 CO 0.02 0.56 -1.21 0.78 -1.93 0.00 0.00 178.83 177.05 1ijx h GLY 86 N 0.88 0.07 0.31 2.39 0.00 -1.31 -3.40 103.07 102.00 1ijx h GLY 86 Ca 0.30 -0.17 -0.35 0.00 0.00 0.00 0.00 47.33 47.11 1ijx h GLY 86 CO -0.13 0.15 -2.18 0.00 0.00 0.00 0.00 176.54 174.39 1ijx h GLU 88 N 0.00 0.51 -0.40 0.00 4.57 -0.72 -1.27 114.58 117.27 1ijx h GLU 88 Ca -0.47 -0.03 0.04 0.00 -1.18 0.00 0.00 59.36 57.72 1ijx h GLU 88 Cb 2.17 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 30.63 1ijx h GLU 88 CO 0.04 0.33 0.27 -1.35 -1.18 0.00 0.00 179.01 177.12 1ijx h PRO 89 N 0.52 0.38 -0.11 0.92 0.11 -1.79 -0.13 132.00 131.90 1ijx h PRO 89 Ca 0.45 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.43 1ijx h PRO 89 Cb 0.68 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1ijx h PRO 89 CO -0.40 0.25 -0.33 0.82 -0.21 0.00 0.00 178.00 178.14 1ijx h ILE 90 N 0.39 1.38 -0.90 4.15 1.08 -1.50 -1.97 117.51 120.15 1ijx h ILE 90 Ca 0.16 -1.64 0.01 0.00 -0.39 0.00 0.00 64.86 63.00 1ijx h ILE 90 Cb 0.16 2.13 -0.04 0.00 -3.07 0.00 0.00 36.82 36.00 1ijx h ILE 90 CO -0.04 0.48 0.59 -0.07 -0.69 0.00 0.00 178.15 178.43 1ijx h LEU 91 N 0.00 1.04 -0.59 1.44 3.38 -0.88 -2.62 115.31 117.08 1ijx h LEU 91 Ca -0.01 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1ijx h LEU 91 Cb 0.94 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.41 1ijx h LEU 91 CO 0.07 0.76 0.22 0.40 0.09 0.00 0.00 178.44 179.97 1ijx h ILE 92 N 1.22 1.23 -0.12 1.22 2.04 -0.89 0.10 117.51 122.31 1ijx h ILE 92 Ca 0.33 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.48 1ijx h ILE 92 Cb -0.13 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1ijx h ILE 92 CO -0.07 0.29 0.14 0.50 0.00 0.00 0.00 178.15 179.01 1ijx h LYS 93 N 0.82 0.00 -0.33 2.37 3.64 -0.98 -2.03 116.57 120.06 1ijx h LYS 93 Ca 0.19 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.34 1ijx h LYS 93 Cb 0.23 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 31.88 1ijx h LYS 93 CO -0.01 0.00 -0.53 0.66 -2.27 0.00 0.00 179.45 177.30 1ijx n TYR 94 N -3.81 1.17 -3.62 1.91 4.02 -0.68 -5.00 117.16 111.15 1ijx n TYR 94 Ca 0.00 -1.81 -0.28 0.00 -0.01 0.00 0.00 57.90 55.81 1ijx n TYR 94 Cb 0.25 -0.34 0.05 0.00 -0.02 0.00 0.00 39.34 39.27 1ijx n TYR 94 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1ijx n ARG 95 N -0.97 -1.78 -4.07 -0.72 1.74 -0.76 -5.01 116.66 105.08 1ijx n ARG 95 Ca 0.31 0.54 -0.11 0.00 -0.77 0.00 0.00 57.85 57.82 1ijx n ARG 95 Cb 0.83 -4.52 -0.06 0.00 -1.02 0.00 0.00 32.46 27.68 1ijx n ARG 95 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1ijx s HIS 96 N -3.49 0.67 0.25 -1.55 3.76 0.26 -4.99 115.29 110.20 1ijx s HIS 96 Ca 0.42 -0.98 -0.06 0.00 -0.15 0.00 0.00 55.06 54.29 1ijx s HIS 96 Cb -0.13 -0.05 -0.02 0.00 1.11 0.00 0.00 32.58 33.49 1ijx s HIS 96 CO 0.84 -0.92 0.34 -1.54 -0.85 0.00 0.00 174.74 172.61 1ijx s SER 97 N -3.09 0.23 0.10 1.40 1.04 -1.26 -2.84 113.70 109.27 1ijx s SER 97 Ca 0.28 -1.22 -0.31 0.00 0.48 0.00 0.00 55.95 55.18 1ijx s SER 97 Cb 0.01 0.52 -0.09 0.00 0.10 0.00 0.00 66.02 66.56 1ijx s SER 97 CO 0.11 -1.05 1.69 0.86 0.98 0.00 0.00 173.24 175.84 1ijx s TRP 98 N -3.90 2.42 0.45 5.02 -0.11 -1.26 -4.93 118.94 116.63 1ijx s TRP 98 Ca 0.31 0.26 -0.25 0.00 1.22 0.00 0.00 56.10 57.64 1ijx s TRP 98 Cb 0.02 -4.02 -0.08 0.00 -1.50 0.00 0.00 33.47 27.90 1ijx s TRP 98 CO 0.13 -4.10 1.34 -1.25 -4.62 0.00 0.00 176.95 168.45 1ijx s PRO 99 N 2.49 3.70 0.34 5.86 0.04 -1.26 -4.93 135.00 141.24 1ijx s PRO 99 Ca 0.75 2.21 0.07 0.00 0.04 0.00 0.00 61.00 64.08 1ijx s PRO 99 Cb -0.42 -2.59 0.77 0.00 0.04 0.00 0.00 34.50 32.30 1ijx s PRO 99 CO 0.33 -0.73 1.86 1.49 0.04 0.00 0.00 177.00 179.99 1ijx h GLU 100 N 2.27 0.73 0.00 4.56 4.81 -2.00 -0.64 114.58 124.30 1ijx h GLU 100 Ca -0.50 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 1ijx h GLU 100 Cb 1.26 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 1ijx h GLU 100 CO 0.61 0.48 -0.03 0.66 -0.73 0.00 0.00 179.01 179.99 1ijx h SER 101 N 0.75 0.00 -0.32 1.04 4.64 -1.99 -2.47 113.55 115.20 1ijx h SER 101 Ca 0.46 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.72 1ijx h SER 101 Cb 0.68 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.74 1ijx h SER 101 CO -0.22 0.03 0.01 0.18 -0.87 0.00 0.00 176.83 175.96 1ijx n LEU 102 N -3.31 4.10 -4.71 5.97 4.77 -0.26 -4.94 117.00 118.61 1ijx n LEU 102 Ca -0.02 -3.20 -0.42 0.00 -0.03 0.00 0.00 56.01 52.34 1ijx n LEU 102 Cb 0.17 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.65 1ijx n LEU 102 CO 0.25 0.81 1.39 0.00 -1.33 0.00 0.00 177.39 178.51 1ijx s ALA 103 N -2.94 3.89 0.26 -1.18 0.00 -0.93 -4.89 121.76 115.98 1ijx s ALA 103 Ca 0.44 1.55 0.01 0.00 0.00 0.00 0.00 51.96 53.95 1ijx s ALA 103 Cb 0.36 -3.71 0.36 0.00 0.00 0.00 0.00 23.12 20.13 1ijx s ALA 103 CO 0.07 -0.99 1.70 0.00 0.00 0.00 0.00 175.76 176.55 1ijx n ASP 105 N -4.12 0.32 -0.93 0.00 8.00 -1.26 -2.07 116.55 116.49 1ijx n ASP 105 Ca -0.00 0.62 0.12 0.00 0.71 0.00 0.00 54.79 56.24 1ijx n ASP 105 Cb 0.41 -0.67 0.14 0.00 -0.02 0.00 0.00 41.12 40.98 1ijx n ASP 105 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ijx n GLU 106 N -1.90 2.28 -0.03 -1.24 -0.58 -1.05 -4.50 120.64 113.62 1ijx n GLU 106 Ca 0.01 -1.86 -0.15 0.00 -0.42 0.00 0.00 57.16 54.74 1ijx n GLU 106 Cb 0.09 -1.46 -0.10 0.00 -0.57 0.00 0.00 31.44 29.39 1ijx n GLU 106 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1ijx h LEU 107 N 4.49 0.30 -9.72 -4.62 3.38 -1.54 -3.45 115.31 104.15 1ijx h LEU 107 Ca 0.00 -0.69 -0.53 0.00 0.09 0.00 0.00 57.88 56.75 1ijx h LEU 107 Cb 0.95 -0.09 0.07 0.00 0.09 0.00 0.00 40.66 41.69 1ijx h LEU 107 CO 0.00 0.94 0.92 -2.65 0.09 0.00 0.00 178.44 177.74 1ijx n PRO 108 N -4.49 2.68 -3.24 1.13 -0.02 -1.26 -4.90 135.00 124.90 1ijx n PRO 108 Ca -0.09 0.96 -0.45 0.00 -2.02 0.00 0.00 63.50 61.90 1ijx n PRO 108 Cb 0.48 -2.76 -0.06 0.00 -0.02 0.00 0.00 33.50 31.14 1ijx n PRO 108 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ijx s VAL 109 N 0.47 5.03 -0.48 -1.45 1.01 -1.26 -4.95 120.40 118.77 1ijx s VAL 109 Ca 0.69 -0.97 0.12 0.00 0.00 0.00 0.00 61.98 61.82 1ijx s VAL 109 Cb -0.51 -4.30 0.12 0.00 0.00 0.00 0.00 36.38 31.68 1ijx s VAL 109 CO 0.42 -0.83 1.33 -1.22 0.00 0.00 0.00 175.10 174.81 1ijx n TYR 110 N 5.76 0.40 -0.85 5.22 0.53 -1.26 -0.88 117.16 126.08 1ijx n TYR 110 Ca -0.10 0.21 0.08 0.00 -1.02 0.00 0.00 57.90 57.07 1ijx n TYR 110 Cb 0.43 -0.80 0.23 0.00 -1.03 0.00 0.00 39.34 38.18 1ijx n TYR 110 CO 0.00 0.00 0.00 -0.40 -1.02 0.00 0.00 176.86 175.44 1ijx n ASP 111 N -1.91 3.63 0.00 7.72 5.75 -1.26 -4.83 116.55 125.65 1ijx n ASP 111 Ca -0.01 -2.84 0.00 0.00 -0.01 0.00 0.00 54.79 51.93 1ijx n ASP 111 Cb 0.07 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 39.68 1ijx n ASP 111 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1ijx n ARG 112 N -0.38 0.00 0.00 0.11 0.63 -0.06 -5.09 116.66 111.87 1ijx n ARG 112 Ca 0.19 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.12 1ijx n ARG 112 Cb 0.79 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.70 1ijx n ARG 112 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1ijx n GLY 113 N 3.75 1.41 3.08 5.14 0.00 -1.24 -5.10 105.19 112.23 1ijx n GLY 113 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1ijx n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ijx s VAL 114 N -2.00 -0.00 0.24 1.61 0.11 -1.26 -5.16 120.40 113.94 1ijx s VAL 114 Ca 0.00 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.03 1ijx s VAL 114 Cb 0.00 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.54 1ijx s VAL 114 CO 0.00 0.00 0.27 0.00 -3.33 0.00 0.00 175.10 172.04 1ijx s ILE 116 N -3.91 3.23 0.08 0.00 2.07 -0.39 -4.81 121.20 117.47 1ijx s ILE 116 Ca 0.34 -0.73 0.01 0.00 -1.41 0.00 0.00 60.65 58.86 1ijx s ILE 116 Cb 0.04 -2.30 -0.04 0.00 0.13 0.00 0.00 42.46 40.29 1ijx s ILE 116 CO 0.14 0.54 -0.06 -0.55 -1.91 0.00 0.00 174.94 173.11 1ijx s SER 117 N -0.90 0.93 0.67 4.50 0.15 -1.26 -1.43 113.70 116.37 1ijx s SER 117 Ca 0.13 -0.98 -0.08 0.00 0.70 0.00 0.00 55.95 55.72 1ijx s SER 117 Cb -0.11 0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.35 1ijx s SER 117 CO 0.02 -0.49 1.01 -2.16 1.20 0.00 0.00 173.24 172.83 1ijx s PRO 118 N -3.72 2.66 -0.10 5.44 0.04 -1.26 -5.09 135.00 132.97 1ijx s PRO 118 Ca 0.09 0.11 -0.18 0.00 0.04 0.00 0.00 61.00 61.06 1ijx s PRO 118 Cb 0.05 -2.14 0.04 0.00 0.04 0.00 0.00 34.50 32.49 1ijx s PRO 118 CO -0.06 -1.00 0.44 -2.00 0.04 0.00 0.00 177.00 174.41 1ijx s GLU 119 N -5.22 0.65 0.45 4.56 2.12 -1.26 -5.14 118.70 114.86 1ijx s GLU 119 Ca 0.57 0.29 -0.25 0.00 0.36 0.00 0.00 54.97 55.95 1ijx s GLU 119 Cb -0.11 0.31 -0.08 0.00 0.26 0.00 0.00 34.13 34.51 1ijx s GLU 119 CO 0.48 -0.14 1.35 0.00 -0.54 0.00 0.00 175.26 176.41 1ijx s ALA 120 N -0.50 3.15 0.29 6.30 0.00 -1.26 -5.02 121.76 124.71 1ijx s ALA 120 Ca -0.06 1.32 0.07 0.00 0.00 0.00 0.00 51.96 53.29 1ijx s ALA 120 Cb -0.03 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.52 1ijx s ALA 120 CO 0.03 -1.06 0.31 -1.50 0.00 0.00 0.00 175.76 173.54 1ijx s ILE 121 N -1.27 4.33 -0.48 0.00 2.07 -1.26 -5.07 121.20 119.52 1ijx s ILE 121 Ca 0.62 -1.22 -0.17 0.00 -1.41 0.00 0.00 60.65 58.46 1ijx s ILE 121 Cb -0.40 -3.45 0.06 0.00 0.13 0.00 0.00 42.46 38.80 1ijx s ILE 121 CO 0.51 -0.26 0.50 -0.69 -1.91 0.00 0.00 174.94 173.09 1ijx s VAL 122 N -2.15 5.06 0.15 4.00 1.01 -1.26 -5.02 120.40 122.19 1ijx s VAL 122 Ca 0.37 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.52 1ijx s VAL 122 Cb -0.08 -4.20 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 1ijx s VAL 122 CO 0.27 -0.67 0.27 0.28 0.00 0.00 0.00 175.10 175.25 1ijx s THR 123 N 2.13 0.08 0.00 3.92 -1.32 -1.26 -5.04 115.64 114.15 1ijx s THR 123 Ca 0.10 -1.35 0.00 0.00 -1.21 0.00 0.00 61.69 59.23 1ijx s THR 123 Cb -0.21 -1.75 0.00 0.00 -1.51 0.00 0.00 72.50 69.02 1ijx s THR 123 CO 0.10 -0.36 0.00 0.00 -2.21 0.00 0.00 174.62 172.15 1ijx n ALA 124 N -0.19 0.49 0.00 11.08 0.00 -1.26 -5.30 120.51 125.34 1ijx n ALA 124 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1ijx n ALA 124 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1ijx n ALA 124 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10