#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 4.00 0.98 0.00 0.00 -1.26 -5.06 121.76 120.42 1ijx s ALA 2 Ca 0.00 -1.81 -0.11 0.00 0.00 0.00 0.00 51.96 50.05 1ijx s ALA 2 Cb 0.00 -1.08 0.18 0.00 0.00 0.00 0.00 23.12 22.22 1ijx s ALA 2 CO 0.00 -0.15 1.11 0.00 0.00 0.00 0.00 175.76 176.72 1ijx s GLU 4 N -4.57 0.63 0.48 0.00 -1.05 0.52 -4.97 118.70 109.74 1ijx s GLU 4 Ca 0.67 0.31 -0.24 0.00 -0.15 0.00 0.00 54.97 55.56 1ijx s GLU 4 Cb -0.24 0.30 -0.07 0.00 -0.44 0.00 0.00 34.13 33.68 1ijx s GLU 4 CO 0.60 -0.13 1.38 -1.25 0.95 0.00 0.00 175.26 176.80 1ijx s PRO 5 N -0.45 3.54 0.21 -4.83 0.04 -1.26 -0.07 135.00 132.18 1ijx s PRO 5 Ca -0.06 2.29 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 1ijx s PRO 5 Cb -0.03 -2.52 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 1ijx s PRO 5 CO 0.03 -0.89 1.36 0.08 0.04 0.00 0.00 177.00 177.62 1ijx s VAL 6 N -1.26 3.04 -0.02 -0.36 1.01 0.90 -4.74 120.40 118.96 1ijx s VAL 6 Ca 0.64 0.85 0.03 0.00 0.00 0.00 0.00 61.98 63.50 1ijx s VAL 6 Cb -0.41 -3.54 0.04 0.00 0.00 0.00 0.00 36.38 32.47 1ijx s VAL 6 CO 0.51 0.12 0.87 0.54 0.00 0.00 0.00 175.10 177.15 1ijx n ARG 7 N 2.64 1.46 -2.74 2.72 1.74 -1.26 -4.98 116.66 116.24 1ijx n ARG 7 Ca 0.07 -1.30 -0.43 0.00 -0.77 0.00 0.00 57.85 55.42 1ijx n ARG 7 Cb 0.42 -0.86 -0.03 0.00 -1.02 0.00 0.00 32.46 30.96 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 -0.86 4.35 0.15 0.55 1.01 -1.26 -4.94 121.20 120.19 1ijx s ILE 8 Ca 0.05 0.86 -0.28 0.00 0.00 0.00 0.00 60.65 61.28 1ijx s ILE 8 Cb 0.04 -4.52 -0.06 0.00 0.01 0.00 0.00 42.46 37.93 1ijx s ILE 8 CO 0.00 -0.95 1.45 -2.65 0.00 0.00 0.00 174.94 172.80 1ijx n PRO 9 N 7.48 -0.40 0.17 2.79 -0.02 -1.26 -0.38 135.00 143.38 1ijx n PRO 9 Ca 0.08 1.43 0.18 0.00 -2.02 0.00 0.00 63.50 63.16 1ijx n PRO 9 Cb 0.49 -2.10 0.79 0.00 -0.02 0.00 0.00 33.50 32.66 1ijx n PRO 9 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1ijx h LEU 10 N 0.00 0.00 0.00 2.45 3.38 -1.99 -2.35 115.31 116.80 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 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ijx h LEU 10 CO -0.86 0.00 -0.39 0.00 0.09 0.00 0.00 178.44 177.28 1ijx h LYS 12 N 0.00 0.00 0.00 0.00 1.57 -1.22 -1.54 116.57 115.38 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 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1ijx h LYS 12 CO 0.00 0.04 0.00 0.66 -0.57 0.00 0.00 179.45 179.58 1ijx h SER 13 N 0.00 0.00 -4.35 0.86 4.64 -1.78 -3.45 113.55 109.46 1ijx h SER 13 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1ijx h SER 13 Cb 0.20 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.37 1ijx h SER 13 CO 0.00 0.00 0.39 -0.76 -0.87 0.00 0.00 176.83 175.60 1ijx s LEU 14 N -5.03 3.14 0.24 5.97 1.43 -0.58 -5.00 118.68 118.85 1ijx s LEU 14 Ca 0.05 1.48 -0.05 0.00 -1.03 0.00 0.00 54.13 54.58 1ijx s LEU 14 Cb 0.09 -4.42 0.46 0.00 0.03 0.00 0.00 46.19 42.35 1ijx s LEU 14 CO 0.48 -1.20 1.67 -0.65 0.23 0.00 0.00 176.35 176.89 1ijx h PRO 15 N -0.55 0.21 -6.29 1.29 0.11 -1.87 -3.44 132.00 121.46 1ijx h PRO 15 Ca -0.44 -0.01 -0.56 0.00 0.11 0.00 0.00 66.00 65.10 1ijx h PRO 15 Cb 1.21 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1ijx h PRO 15 CO 0.60 0.14 -0.20 1.67 -0.21 0.00 0.00 178.00 180.00 1ijx s TRP 16 N -6.06 3.48 -0.25 0.65 -2.14 -1.26 -5.00 118.94 108.36 1ijx s TRP 16 Ca -0.13 0.77 0.05 0.00 2.66 0.00 0.00 56.10 59.45 1ijx s TRP 16 Cb 0.22 -2.17 -0.05 0.00 -3.10 0.00 0.00 33.47 28.37 1ijx s TRP 16 CO 0.75 0.37 0.22 0.39 -2.66 0.00 0.00 176.95 176.03 1ijx n GLU 17 N 0.15 5.19 -4.69 3.25 1.02 -1.26 -4.94 120.64 119.36 1ijx n GLU 17 Ca -0.02 -0.03 -0.33 0.00 -0.02 0.00 0.00 57.16 56.76 1ijx n GLU 17 Cb 0.52 -0.75 -0.13 0.00 -0.02 0.00 0.00 31.44 31.07 1ijx n GLU 17 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 1ijx s MET 18 N -1.44 3.11 0.38 3.49 -1.94 -1.26 -0.07 119.30 121.57 1ijx s MET 18 Ca 0.02 -0.62 0.05 0.00 -1.71 0.00 0.00 55.69 53.42 1ijx s MET 18 Cb 0.04 -2.62 -0.03 0.00 2.01 0.00 0.00 34.83 34.23 1ijx s MET 18 CO 0.20 0.41 0.17 -0.08 -0.01 0.00 0.00 175.02 175.71 1ijx s THR 19 N -0.15 0.41 -0.18 2.05 -1.32 0.90 -1.34 115.64 116.01 1ijx s THR 19 Ca 0.01 -2.00 -0.13 0.00 -1.21 0.00 0.00 61.69 58.36 1ijx s THR 19 Cb -0.13 -2.39 0.05 0.00 -1.51 0.00 0.00 72.50 68.52 1ijx s THR 19 CO 0.03 0.00 0.45 -0.75 -2.21 0.00 0.00 174.62 172.14 1ijx s LYS 20 N -3.65 0.48 0.28 7.08 2.20 -1.22 -0.36 119.74 124.55 1ijx s LYS 20 Ca 0.29 0.76 -0.00 0.00 -0.36 0.00 0.00 55.97 56.65 1ijx s LYS 20 Cb 0.03 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 1ijx s LYS 20 CO 0.18 -0.12 0.48 -1.64 -0.36 0.00 0.00 175.35 173.90 1ijx s MET 21 N 0.92 3.51 0.49 4.03 -1.94 -1.26 -4.24 119.30 120.81 1ijx s MET 21 Ca -0.05 -0.33 -0.20 0.00 -1.71 0.00 0.00 55.69 53.40 1ijx s MET 21 Cb -0.06 -2.74 -0.08 0.00 2.01 0.00 0.00 34.83 33.96 1ijx s MET 21 CO -0.08 0.27 1.06 -1.25 -0.01 0.00 0.00 175.02 175.01 1ijx s PRO 22 N -3.85 3.73 0.17 2.03 0.04 -1.26 -4.97 135.00 130.88 1ijx s PRO 22 Ca 0.39 1.42 -0.02 0.00 0.04 0.00 0.00 61.00 62.84 1ijx s PRO 22 Cb -0.10 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.37 1ijx s PRO 22 CO 0.32 -0.50 0.23 0.27 0.04 0.00 0.00 177.00 177.36 1ijx n ASN 23 N -0.98 0.09 0.00 6.66 0.23 -1.11 -4.68 115.26 115.47 1ijx n ASN 23 Ca 0.09 -1.13 0.12 0.00 -0.53 0.00 0.00 54.58 53.13 1ijx n ASN 23 Cb 0.52 -0.17 0.69 0.00 -2.08 0.00 0.00 39.78 38.74 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 -2.12 0.00 0.39 -2.53 8.25 -0.63 -1.46 115.22 117.12 1ijx n HIS 24 Ca 0.03 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.57 1ijx n HIS 24 Cb 0.11 0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.87 2.58 -0.97 2.41 7.99 -1.26 -4.97 117.00 121.91 1ijx n LEU 25 Ca 0.17 -1.29 -0.10 0.00 -0.01 0.00 0.00 56.01 54.78 1ijx n LEU 25 Cb 0.08 -0.09 -0.03 0.00 -0.11 0.00 0.00 43.42 43.27 1ijx n LEU 25 CO 0.13 0.53 -0.11 1.41 -1.51 0.00 0.00 177.39 177.84 1ijx n HIS 26 N 0.88 -0.22 -2.38 -1.77 8.25 -0.53 -4.99 115.22 114.45 1ijx n HIS 26 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 1ijx n HIS 26 Cb 0.42 -2.21 -0.03 0.00 1.12 0.00 0.00 29.99 29.29 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 -2.45 3.42 -0.14 4.41 3.76 -1.26 -4.81 115.29 118.22 1ijx s HIS 27 Ca 0.00 1.32 0.15 0.00 -0.15 0.00 0.00 55.06 56.38 1ijx s HIS 27 Cb 0.00 -3.45 0.07 0.00 1.11 0.00 0.00 32.58 30.31 1ijx s HIS 27 CO 0.00 -1.34 1.44 0.66 -0.85 0.00 0.00 174.74 174.65 1ijx h SER 28 N 6.12 0.00 -3.90 1.40 4.64 -1.95 -2.94 113.55 116.92 1ijx h SER 28 Ca -0.43 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.41 1ijx h SER 28 Cb 1.21 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.11 1ijx h SER 28 CO 0.79 0.52 -0.78 0.42 -0.87 0.00 0.00 176.83 176.91 1ijx s THR 29 N -2.96 1.57 -0.06 2.95 -4.23 -1.26 -4.69 115.64 106.95 1ijx s THR 29 Ca 0.04 -1.74 0.30 0.00 -1.18 0.00 0.00 61.69 59.11 1ijx s THR 29 Cb 0.08 -1.63 0.37 0.00 1.34 0.00 0.00 72.50 72.66 1ijx s THR 29 CO 0.75 -0.31 1.87 -0.61 -0.54 0.00 0.00 174.62 175.78 1ijx h GLN 30 N 3.55 0.00 -0.67 3.99 4.15 -1.96 -2.72 115.11 121.45 1ijx h GLN 30 Ca -0.42 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.01 1ijx h GLN 30 Cb 1.20 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.85 1ijx h GLN 30 CO 0.48 0.01 0.44 0.00 -1.93 0.00 0.00 178.83 177.83 1ijx h ALA 31 N 1.99 1.54 -0.00 3.38 0.00 -1.99 0.62 119.26 124.79 1ijx h ALA 31 Ca -0.00 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1ijx h ALA 31 Cb 0.66 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ijx h ALA 31 CO 0.00 0.42 -0.73 -0.91 0.00 0.00 0.00 179.25 178.04 1ijx h ASN 32 N 0.89 0.02 -0.34 0.00 -0.26 -1.91 -2.77 115.58 111.21 1ijx h ASN 32 Ca 0.25 -0.02 -0.17 0.00 -0.56 0.00 0.00 56.30 55.81 1ijx h ASN 32 Cb -0.08 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.17 1ijx h ASN 32 CO -0.06 0.74 -0.43 0.00 -1.06 0.00 0.00 177.43 176.62 1ijx h ALA 33 N 1.26 0.56 -0.22 -0.83 0.00 -1.24 -1.67 119.26 117.12 1ijx h ALA 33 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1ijx h ALA 33 Cb 1.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1ijx h ALA 33 CO 0.10 0.68 0.14 0.82 0.00 0.00 0.00 179.25 180.98 1ijx h ILE 34 N 0.73 1.07 -0.61 0.00 2.04 -0.87 -0.28 117.51 119.60 1ijx h ILE 34 Ca 0.05 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1ijx h ILE 34 Cb 1.03 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1ijx h ILE 34 CO 0.10 0.07 0.27 -0.07 0.00 0.00 0.00 178.15 178.52 1ijx h LEU 35 N 0.28 0.82 -0.62 1.44 3.38 -1.46 -2.94 115.31 116.22 1ijx h LEU 35 Ca 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1ijx h LEU 35 Cb -0.00 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1ijx h LEU 35 CO -0.02 0.75 0.35 0.00 0.09 0.00 0.00 178.44 179.61 1ijx h ALA 36 N 1.11 0.79 -0.28 1.53 0.00 -0.96 -2.93 119.26 118.51 1ijx h ALA 36 Ca 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1ijx h ALA 36 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ijx h ALA 36 CO -0.02 0.29 0.08 0.52 0.00 0.00 0.00 179.25 180.12 1ijx h MET 37 N 0.84 0.40 -0.79 0.00 2.86 -0.88 -2.83 114.93 114.52 1ijx h MET 37 Ca 0.22 -0.05 0.18 0.00 -2.06 0.00 0.00 59.70 57.98 1ijx h MET 37 Cb 0.02 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 1ijx h MET 37 CO -0.04 0.37 0.53 0.93 1.06 0.00 0.00 176.91 179.77 1ijx h GLU 38 N 0.40 0.32 0.00 1.72 5.08 -1.36 0.13 114.58 120.86 1ijx h GLU 38 Ca 0.10 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1ijx h GLU 38 Cb 0.15 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1ijx h GLU 38 CO -0.00 0.21 -0.01 0.37 -1.00 0.00 0.00 179.01 178.57 1ijx h GLN 39 N 0.33 0.00 -0.01 2.33 4.15 -1.63 -2.64 115.11 117.63 1ijx h GLN 39 Ca 0.40 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.82 1ijx h GLN 39 Cb 1.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.74 1ijx h GLN 39 CO -0.11 0.01 -0.20 1.19 -1.93 0.00 0.00 178.83 177.79 1ijx n PHE 40 N -3.46 0.00 -0.25 3.99 3.01 0.45 -4.42 117.46 116.79 1ijx n PHE 40 Ca -0.03 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.48 1ijx n PHE 40 Cb 0.11 -0.07 0.18 0.00 -0.01 0.00 0.00 39.48 39.68 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 1.82 0.31 -0.21 -1.08 5.08 -1.56 -0.09 114.58 118.86 1ijx h GLU 41 Ca 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1ijx h GLU 41 Cb 0.56 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1ijx h GLU 41 CO 0.00 0.21 0.03 0.78 -1.00 0.00 0.00 179.01 179.03 1ijx h GLY 42 N 0.32 0.38 1.03 -3.84 0.00 -1.83 -1.62 103.07 97.51 1ijx h GLY 42 Ca 0.40 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 1ijx h GLY 42 CO -0.46 0.24 0.29 -2.00 0.00 0.00 0.00 176.54 174.61 1ijx h LEU 43 N 0.14 1.01 -1.70 3.11 5.85 -1.73 -1.85 115.31 120.15 1ijx h LEU 43 Ca 0.06 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 1ijx h LEU 43 Cb 0.33 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1ijx h LEU 43 CO 0.01 0.91 0.07 -0.07 -0.34 0.00 0.00 178.44 179.01 1ijx h LEU 44 N 1.05 0.23 -0.93 2.25 3.38 -0.89 -1.82 115.31 118.58 1ijx h LEU 44 Ca 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1ijx h LEU 44 Cb 0.21 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1ijx h LEU 44 CO -0.02 0.22 0.00 1.23 0.09 0.00 0.00 178.44 179.96 1ijx h GLY 45 N 0.40 0.00 1.42 0.83 0.00 -0.43 -2.96 103.07 102.32 1ijx h GLY 45 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.40 1ijx h GLY 45 CO -0.01 0.00 -0.07 -1.30 0.00 0.00 0.00 176.54 175.16 1ijx n THR 46 N -2.65 0.00 -3.89 4.70 -2.24 -0.68 -4.93 114.28 104.59 1ijx n THR 46 Ca 0.02 -0.02 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1ijx n THR 46 Cb 0.29 -0.32 0.02 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.25 -2.25 0.29 4.78 -0.00 -1.12 -4.85 115.22 110.82 1ijx n HIS 47 Ca 0.12 0.87 0.17 0.00 -0.00 0.00 0.00 57.72 58.88 1ijx n HIS 47 Cb 0.28 -3.88 0.68 0.00 -0.00 0.00 0.00 29.99 27.07 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 -5.61 -0.94 0.00 0.00 0.15 -1.26 -4.19 113.70 101.85 1ijx s SER 49 Ca 0.01 1.48 0.16 0.00 0.70 0.00 0.00 55.95 58.30 1ijx s SER 49 Cb 0.09 1.48 0.79 0.00 -1.71 0.00 0.00 66.02 66.67 1ijx s SER 49 CO 0.53 -0.23 1.43 -0.81 1.20 0.00 0.00 173.24 175.36 1ijx n PRO 50 N 4.49 0.23 0.00 5.44 -0.04 -1.26 -1.94 135.00 141.92 1ijx n PRO 50 Ca -0.19 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.48 1ijx n PRO 50 Cb 0.57 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.27 2.17 -0.09 3.54 10.43 -1.26 -4.60 116.55 125.47 1ijx n ASP 51 Ca 0.08 -1.58 -0.09 0.00 2.57 0.00 0.00 54.79 55.76 1ijx n ASP 51 Cb 0.12 0.13 -0.02 0.00 1.84 0.00 0.00 41.12 43.19 1ijx n ASP 51 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 1ijx h LEU 52 N 2.84 0.36 0.15 0.64 5.85 -1.74 -1.44 115.31 121.96 1ijx h LEU 52 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1ijx h LEU 52 Cb 0.65 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1ijx h LEU 52 CO 0.00 0.30 -0.15 0.25 -0.34 0.00 0.00 178.44 178.50 1ijx h LEU 53 N 0.38 -0.39 -0.48 2.25 5.85 -1.81 -0.56 115.31 120.55 1ijx h LEU 53 Ca 0.11 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.96 1ijx h LEU 53 Cb 0.00 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.09 1ijx h LEU 53 CO -0.02 -0.22 0.03 0.15 -0.34 0.00 0.00 178.44 178.04 1ijx h PHE 54 N -0.32 0.03 -0.09 1.25 3.57 -1.83 -0.26 116.94 119.29 1ijx h PHE 54 Ca 0.00 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ijx h PHE 54 Cb 0.31 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 1ijx h PHE 54 CO -0.13 -0.08 0.04 0.35 -2.23 0.00 0.00 178.31 176.27 1ijx h PHE 55 N 0.15 0.13 -0.24 0.41 3.57 -0.85 -0.03 116.94 120.08 1ijx h PHE 55 Ca 0.24 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.74 1ijx h PHE 55 Cb 0.35 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 1ijx h PHE 55 CO -0.28 0.20 0.15 -0.07 -2.23 0.00 0.00 178.31 176.09 1ijx h LEU 56 N 0.02 0.26 -1.22 0.59 3.38 -0.84 -1.77 115.31 115.73 1ijx h LEU 56 Ca 0.03 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1ijx h LEU 56 Cb 0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1ijx h LEU 56 CO -0.00 0.19 -0.23 0.00 0.09 0.00 0.00 178.44 178.49 1ijx h ALA 58 N 1.54 1.09 0.00 0.00 0.00 -0.61 0.56 119.26 121.83 1ijx h ALA 58 Ca 0.04 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 1ijx h ALA 58 Cb 0.53 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1ijx h ALA 58 CO 0.04 0.23 -1.10 0.52 0.00 0.00 0.00 179.25 178.93 1ijx h MET 59 N 0.00 0.00 0.00 0.00 2.07 -0.43 -3.30 114.93 113.27 1ijx h MET 59 Ca -0.00 0.00 -0.16 0.00 -2.07 0.00 0.00 59.70 57.47 1ijx h MET 59 Cb 0.61 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 30.32 1ijx h MET 59 CO 0.02 1.00 -0.75 1.88 1.07 0.00 0.00 176.91 180.13 1ijx h TYR 60 N -1.00 0.00 -1.60 -0.22 -1.99 -0.34 -1.68 116.97 110.14 1ijx h TYR 60 Ca -0.31 0.00 -0.48 0.00 2.00 0.00 0.00 58.73 59.94 1ijx h TYR 60 Cb 1.27 0.00 -0.33 0.00 2.00 0.00 0.00 36.73 39.66 1ijx h TYR 60 CO 0.12 0.75 -0.96 0.00 -0.00 0.00 0.00 178.16 178.07 1ijx n ALA 61 N -2.36 1.59 -1.71 3.88 0.00 0.19 -4.79 120.51 117.31 1ijx n ALA 61 Ca -0.00 -2.92 -0.41 0.00 0.00 0.00 0.00 53.44 50.11 1ijx n ALA 61 Cb 0.76 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 19.29 1ijx n ALA 61 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1ijx n PRO 62 N 1.59 1.98 -1.90 0.00 -0.02 -1.23 -4.62 135.00 130.81 1ijx n PRO 62 Ca 0.19 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.96 1ijx n PRO 62 Cb 0.55 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 1ijx n PRO 62 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1ijx s ILE 63 N -1.20 2.33 0.11 4.25 2.07 -1.26 -3.41 121.20 124.09 1ijx s ILE 63 Ca 0.61 0.30 -0.30 0.00 -1.41 0.00 0.00 60.65 59.85 1ijx s ILE 63 Cb -0.50 -3.19 -0.06 0.00 0.13 0.00 0.00 42.46 38.84 1ijx s ILE 63 CO 0.58 0.06 1.03 0.00 -1.91 0.00 0.00 174.94 174.69 1ijx s THR 65 N 0.17 0.20 0.13 0.00 -4.23 -1.26 -4.97 115.64 105.68 1ijx s THR 65 Ca 0.49 -1.27 0.06 0.00 -1.18 0.00 0.00 61.69 59.80 1ijx s THR 65 Cb -0.25 -0.77 -0.20 0.00 1.34 0.00 0.00 72.50 72.62 1ijx s THR 65 CO 0.31 -0.68 1.30 0.16 -0.54 0.00 0.00 174.62 175.17 1ijx h ILE 66 N 4.06 1.67 -4.21 2.99 3.07 -2.01 -3.44 117.51 119.64 1ijx h ILE 66 Ca -0.33 -3.26 -0.48 0.00 1.55 0.00 0.00 64.86 62.34 1ijx h ILE 66 Cb 1.18 2.79 0.13 0.00 -0.27 0.00 0.00 36.82 40.65 1ijx h ILE 66 CO 0.50 0.93 0.30 -1.81 -1.05 0.00 0.00 178.15 177.03 1ijx s ASP 67 N -6.77 3.94 -0.99 2.16 1.01 -1.26 -4.17 116.67 110.59 1ijx s ASP 67 Ca 0.00 1.26 -0.09 0.00 0.71 0.00 0.00 52.55 54.43 1ijx s ASP 67 Cb 0.10 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 42.05 1ijx s ASP 67 CO 0.82 -2.31 0.80 0.49 0.21 0.00 0.00 175.17 175.18 1ijx n PHE 68 N -3.65 -2.36 -0.05 4.23 0.99 -1.26 -4.91 117.46 110.45 1ijx n PHE 68 Ca 0.07 0.78 -0.13 0.00 -0.00 0.00 0.00 57.45 58.16 1ijx n PHE 68 Cb 0.57 -3.77 -0.07 0.00 -1.00 0.00 0.00 39.48 35.21 1ijx n PHE 68 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.76 178.72 1ijx h GLN 69 N -0.95 0.37 0.01 -1.08 1.08 -1.85 -3.29 115.11 109.40 1ijx h GLN 69 Ca -0.49 -0.20 -0.29 0.00 -1.45 0.00 0.00 58.65 56.22 1ijx h GLN 69 Cb 1.26 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 28.66 1ijx h GLN 69 CO 0.42 0.75 -1.67 0.45 -0.95 0.00 0.00 178.83 177.83 1ijx h HIS 70 N -0.00 0.04 -3.16 2.96 3.86 -1.96 -3.43 115.15 113.46 1ijx h HIS 70 Ca 0.02 -0.03 -0.61 0.00 -1.16 0.00 0.00 60.37 58.60 1ijx h HIS 70 Cb 0.69 -0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.75 1ijx h HIS 70 CO 0.08 1.06 -0.73 -2.00 0.86 0.00 0.00 177.93 177.20 1ijx s GLU 71 N -2.60 1.16 0.99 2.45 2.12 -1.26 -4.72 118.70 116.84 1ijx s GLU 71 Ca -0.05 -1.72 -0.14 0.00 0.36 0.00 0.00 54.97 53.42 1ijx s GLU 71 Cb 0.08 -2.40 0.04 0.00 0.26 0.00 0.00 34.13 32.11 1ijx s GLU 71 CO 0.82 -1.07 0.24 -2.30 -0.54 0.00 0.00 175.26 172.41 1ijx n PRO 72 N 4.05 -0.55 -1.78 4.30 -0.02 -1.24 -4.77 135.00 134.98 1ijx n PRO 72 Ca 0.04 -0.13 -0.37 0.00 -2.02 0.00 0.00 63.50 61.03 1ijx n PRO 72 Cb 0.38 -1.77 0.06 0.00 -0.02 0.00 0.00 33.50 32.15 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 -2.34 2.11 0.30 4.25 2.07 -1.26 -5.01 121.20 121.33 1ijx s ILE 73 Ca 0.56 0.07 0.10 0.00 -1.41 0.00 0.00 60.65 59.97 1ijx s ILE 73 Cb -0.19 -3.03 -0.05 0.00 0.13 0.00 0.00 42.46 39.32 1ijx s ILE 73 CO 0.68 -0.01 -0.06 -0.54 -1.91 0.00 0.00 174.94 173.09 1ijx s LYS 74 N -3.35 2.00 0.62 3.50 1.02 -1.26 -4.72 119.74 117.54 1ijx s LYS 74 Ca 0.81 -1.68 -0.18 0.00 0.02 0.00 0.00 55.97 54.95 1ijx s LYS 74 Cb -0.37 -1.93 -0.02 0.00 -0.52 0.00 0.00 37.83 34.99 1ijx s LYS 74 CO 0.39 0.26 1.17 -1.25 -0.92 0.00 0.00 175.35 175.00 1ijx s PRO 75 N -3.63 2.89 0.53 -1.68 0.04 -1.26 -1.08 135.00 130.81 1ijx s PRO 75 Ca 0.32 1.68 -0.21 0.00 0.04 0.00 0.00 61.00 62.83 1ijx s PRO 75 Cb -0.03 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 1ijx s PRO 75 CO 0.18 -1.23 1.24 0.00 0.04 0.00 0.00 177.00 177.22 1ijx h LYS 77 N 1.45 0.84 -0.49 0.00 3.64 -1.92 -1.37 116.57 118.71 1ijx h LYS 77 Ca -0.50 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 1ijx h LYS 77 Cb 1.28 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1ijx h LYS 77 CO 0.57 0.56 0.22 0.66 -2.27 0.00 0.00 179.45 179.19 1ijx h SER 78 N 0.87 0.63 -0.25 4.20 4.64 -1.96 0.05 113.55 121.72 1ijx h SER 78 Ca 0.46 -0.06 -0.19 0.00 -0.47 0.00 0.00 61.79 61.53 1ijx h SER 78 Cb 0.54 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1ijx h SER 78 CO -0.22 0.55 -0.58 0.58 -0.87 0.00 0.00 176.83 176.29 1ijx h VAL 79 N 0.70 1.28 -0.67 0.95 2.07 -1.63 -1.73 116.25 117.21 1ijx h VAL 79 Ca 0.17 -1.77 0.01 0.00 0.82 0.00 0.00 66.70 65.94 1ijx h VAL 79 Cb 0.10 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1ijx h VAL 79 CO -0.02 0.57 0.44 0.00 0.02 0.00 0.00 177.57 178.58 1ijx h GLU 81 N 0.91 1.21 -0.55 0.00 5.08 -0.82 0.05 114.58 120.45 1ijx h GLU 81 Ca 0.25 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 1ijx h GLU 81 Cb -0.10 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.90 1ijx h GLU 81 CO -0.06 0.90 0.09 0.00 -1.00 0.00 0.00 179.01 178.94 1ijx h ARG 82 N 1.21 0.91 -0.34 2.33 3.08 -0.96 -0.46 114.38 120.15 1ijx h ARG 82 Ca 0.30 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1ijx h ARG 82 Cb 0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1ijx h ARG 82 CO -0.04 0.88 0.10 0.00 -1.07 0.00 0.00 179.97 179.83 1ijx h ALA 83 N 0.99 0.45 -0.26 0.04 0.00 -0.91 -2.18 119.26 117.39 1ijx h ALA 83 Ca 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1ijx h ALA 83 Cb 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ijx h ALA 83 CO 0.01 0.10 0.02 -0.09 0.00 0.00 0.00 179.25 179.29 1ijx h ARG 84 N 0.40 0.44 -0.53 0.00 2.43 -0.90 -0.27 114.38 115.95 1ijx h ARG 84 Ca 0.11 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1ijx h ARG 84 Cb 0.27 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1ijx h ARG 84 CO -0.00 0.58 0.31 1.96 -1.51 0.00 0.00 179.97 181.31 1ijx h GLN 85 N 0.23 0.72 0.05 0.20 1.08 -1.05 0.30 115.11 116.64 1ijx h GLN 85 Ca 0.08 -0.06 -0.25 0.00 -1.45 0.00 0.00 58.65 56.96 1ijx h GLN 85 Cb 0.37 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 1ijx h GLN 85 CO 0.01 0.51 -1.24 0.78 -0.95 0.00 0.00 178.83 177.93 1ijx h GLY 86 N 0.77 0.12 0.00 3.46 0.00 -1.31 -3.41 103.07 102.71 1ijx h GLY 86 Ca 0.19 -0.31 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 1ijx h GLY 86 CO -0.04 0.27 -2.07 0.00 0.00 0.00 0.00 176.54 174.71 1ijx h GLU 88 N 0.00 0.87 -0.68 0.00 4.81 -0.61 -1.81 114.58 117.16 1ijx h GLU 88 Ca -0.22 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 58.99 1ijx h GLU 88 Cb 1.45 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 30.60 1ijx h GLU 88 CO 0.01 0.57 0.45 -1.35 -0.73 0.00 0.00 179.01 177.96 1ijx h PRO 89 N 0.89 0.79 -0.25 0.92 0.11 -1.79 0.78 132.00 133.45 1ijx h PRO 89 Ca 0.31 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 66.29 1ijx h PRO 89 Cb 0.06 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 1ijx h PRO 89 CO -0.13 0.52 -0.15 0.82 -0.21 0.00 0.00 178.00 178.85 1ijx h ILE 90 N 0.81 1.31 -0.88 4.15 1.08 -1.65 0.14 117.51 122.46 1ijx h ILE 90 Ca 0.27 -1.26 0.01 0.00 -0.39 0.00 0.00 64.86 63.49 1ijx h ILE 90 Cb 0.07 1.59 -0.04 0.00 -3.07 0.00 0.00 36.82 35.37 1ijx h ILE 90 CO -0.08 0.39 0.58 -0.07 -0.69 0.00 0.00 178.15 178.29 1ijx h LEU 91 N 0.26 1.01 -0.27 1.44 3.38 -0.75 -2.36 115.31 118.02 1ijx h LEU 91 Ca 0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1ijx h LEU 91 Cb 0.67 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1ijx h LEU 91 CO 0.04 0.73 0.02 0.40 0.09 0.00 0.00 178.44 179.72 1ijx h ILE 92 N 1.19 1.25 -0.62 1.22 2.04 -0.62 0.13 117.51 122.10 1ijx h ILE 92 Ca 0.32 -0.87 0.18 0.00 1.00 0.00 0.00 64.86 65.49 1ijx h ILE 92 Cb -0.14 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1ijx h ILE 92 CO -0.07 0.28 0.46 0.50 0.00 0.00 0.00 178.15 179.32 1ijx h LYS 93 N 0.26 0.00 -0.66 2.37 3.64 -0.41 0.51 116.57 122.28 1ijx h LYS 93 Ca 0.08 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.14 1ijx h LYS 93 Cb 0.39 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.02 1ijx h LYS 93 CO 0.01 0.00 0.27 0.66 -2.27 0.00 0.00 179.45 178.12 1ijx n TYR 94 N -4.28 2.06 -3.58 1.91 4.02 -0.90 -4.95 117.16 111.45 1ijx n TYR 94 Ca 0.12 -1.64 -0.20 0.00 -0.01 0.00 0.00 57.90 56.17 1ijx n TYR 94 Cb 0.71 -0.70 0.05 0.00 -0.02 0.00 0.00 39.34 39.38 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 -1.01 -4.66 -4.13 -0.72 1.74 0.17 -5.02 116.66 103.04 1ijx n ARG 95 Ca 0.45 0.69 -0.11 0.00 -0.77 0.00 0.00 57.85 58.11 1ijx n ARG 95 Cb 1.34 -5.32 -0.08 0.00 -1.02 0.00 0.00 32.46 27.37 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 -3.55 0.87 0.15 -1.55 3.76 0.42 -5.01 115.29 110.38 1ijx s HIS 96 Ca 0.10 -1.15 0.05 0.00 -0.15 0.00 0.00 55.06 53.90 1ijx s HIS 96 Cb -0.02 -0.31 -0.04 0.00 1.11 0.00 0.00 32.58 33.31 1ijx s HIS 96 CO 0.79 -0.74 -0.10 -1.12 -0.85 0.00 0.00 174.74 172.72 1ijx s SER 97 N -3.10 1.82 0.06 1.40 0.01 -1.26 -2.76 113.70 109.88 1ijx s SER 97 Ca 0.32 -1.02 -0.31 0.00 1.31 0.00 0.00 55.95 56.26 1ijx s SER 97 Cb 0.05 -0.01 -0.07 0.00 0.21 0.00 0.00 66.02 66.19 1ijx s SER 97 CO 0.10 -0.33 1.47 0.86 0.41 0.00 0.00 173.24 175.75 1ijx s TRP 98 N -3.32 2.88 0.32 2.43 -0.11 -1.26 -4.94 118.94 114.94 1ijx s TRP 98 Ca 0.17 0.73 -0.29 0.00 1.22 0.00 0.00 56.10 57.93 1ijx s TRP 98 Cb 0.02 -3.76 -0.10 0.00 -1.50 0.00 0.00 33.47 28.14 1ijx s TRP 98 CO 0.01 -2.82 1.37 -1.25 -4.62 0.00 0.00 176.95 169.64 1ijx s PRO 99 N 1.99 4.29 0.51 5.86 0.04 -1.26 -4.91 135.00 141.52 1ijx s PRO 99 Ca 0.67 2.30 0.19 0.00 0.04 0.00 0.00 61.00 64.19 1ijx s PRO 99 Cb -0.36 -3.06 1.26 0.00 0.04 0.00 0.00 34.50 32.38 1ijx s PRO 99 CO 0.29 -0.30 2.07 1.49 0.04 0.00 0.00 177.00 180.59 1ijx h GLU 100 N 3.71 0.08 0.00 4.56 4.22 -1.99 -0.25 114.58 124.91 1ijx h GLU 100 Ca -0.49 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.95 1ijx h GLU 100 Cb 1.23 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1ijx h GLU 100 CO 0.68 0.05 0.00 0.66 -2.18 0.00 0.00 179.01 178.22 1ijx h SER 101 N 0.08 0.00 -0.17 1.04 4.64 -2.00 -1.82 113.55 115.33 1ijx h SER 101 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1ijx h SER 101 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1ijx h SER 101 CO -0.01 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.13 1ijx n LEU 102 N -2.34 3.27 -4.75 5.97 4.77 -0.11 -4.96 117.00 118.86 1ijx n LEU 102 Ca 0.00 -2.99 -0.41 0.00 -0.03 0.00 0.00 56.01 52.58 1ijx n LEU 102 Cb 0.14 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.73 1ijx n LEU 102 CO 0.16 0.68 1.14 0.00 -1.33 0.00 0.00 177.39 178.05 1ijx s ALA 103 N -2.75 3.66 0.09 -1.18 0.00 -0.69 -4.94 121.76 115.95 1ijx s ALA 103 Ca 0.37 1.41 0.05 0.00 0.00 0.00 0.00 51.96 53.79 1ijx s ALA 103 Cb 0.31 -3.58 -0.23 0.00 0.00 0.00 0.00 23.12 19.61 1ijx s ALA 103 CO 0.07 -0.82 1.16 0.00 0.00 0.00 0.00 175.76 176.16 1ijx h ASP 105 N 0.02 0.60 -0.37 0.00 3.32 -1.95 -2.55 116.42 115.48 1ijx h ASP 105 Ca -0.08 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.77 1ijx h ASP 105 Cb 1.85 -0.14 -0.11 0.00 0.22 0.00 0.00 39.33 41.15 1ijx h ASP 105 CO 0.14 0.42 -0.06 -0.62 -1.72 0.00 0.00 179.24 177.40 1ijx n GLU 106 N -4.46 1.88 -0.03 3.56 1.02 -1.26 -4.68 120.64 116.67 1ijx n GLU 106 Ca 0.07 -3.18 -0.14 0.00 -0.02 0.00 0.00 57.16 53.89 1ijx n GLU 106 Cb 0.12 -1.83 -0.11 0.00 -0.02 0.00 0.00 31.44 29.61 1ijx n GLU 106 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1ijx h LEU 107 N 1.03 0.13-10.00 -4.62 5.85 -1.59 -3.47 115.31 102.64 1ijx h LEU 107 Ca 0.23 -0.68 -0.56 0.00 0.84 0.00 0.00 57.88 57.72 1ijx h LEU 107 Cb 1.70 -0.04 0.15 0.00 0.37 0.00 0.00 40.66 42.84 1ijx h LEU 107 CO 0.41 0.78 0.49 -2.65 -0.34 0.00 0.00 178.44 177.14 1ijx n PRO 108 N -4.65 1.46 -3.11 5.25 -0.02 -1.26 -5.00 135.00 127.67 1ijx n PRO 108 Ca -0.09 0.54 -0.39 0.00 -2.02 0.00 0.00 63.50 61.54 1ijx n PRO 108 Cb 0.39 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 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 -1.34 5.07 0.37 -1.45 1.01 -1.26 -5.02 120.40 117.78 1ijx s VAL 109 Ca 0.74 1.30 -0.28 0.00 0.00 0.00 0.00 61.98 63.74 1ijx s VAL 109 Cb -0.42 -3.98 -0.11 0.00 0.00 0.00 0.00 36.38 31.87 1ijx s VAL 109 CO 0.48 0.23 1.50 -0.72 0.00 0.00 0.00 175.10 176.59 1ijx s TYR 110 N 1.01 2.60 -1.74 5.22 -0.85 -1.26 -2.12 117.35 120.21 1ijx s TYR 110 Ca 0.33 1.11 0.00 0.00 -0.52 0.00 0.00 57.07 58.00 1ijx s TYR 110 Cb -0.17 -4.04 0.00 0.00 0.38 0.00 0.00 41.96 38.14 1ijx s TYR 110 CO 0.15 -3.10 0.00 -0.25 -1.52 0.00 0.00 175.55 170.83 1ijx n ASP 111 N 0.66 -5.37 0.00 -0.18 8.00 -1.26 -4.89 116.55 113.51 1ijx n ASP 111 Ca 0.02 0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1ijx n ASP 111 Cb 0.39 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.18 1ijx n ASP 111 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1ijx n ARG 112 N -2.00 0.00 -0.84 -1.24 0.63 -0.90 -5.05 116.66 107.26 1ijx n ARG 112 Ca -0.16 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 1ijx n ARG 112 Cb 0.60 -0.14 0.00 0.00 0.45 0.00 0.00 32.46 33.37 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 2.50 0.80 3.09 5.14 0.00 -1.26 -5.08 105.19 110.38 1ijx n GLY 113 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 0.27 1.61 0.11 -1.26 -5.17 120.40 113.95 1ijx s VAL 114 Ca 0.00 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 58.97 1ijx s VAL 114 Cb 0.00 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 1ijx s VAL 114 CO 0.00 0.00 0.44 0.00 -3.33 0.00 0.00 175.10 172.21 1ijx s ILE 116 N -3.77 3.67 0.11 0.00 -4.36 -0.24 -4.81 121.20 111.79 1ijx s ILE 116 Ca 0.26 -1.03 -0.00 0.00 -0.26 0.00 0.00 60.65 59.62 1ijx s ILE 116 Cb 0.00 -2.69 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 1ijx s ILE 116 CO 0.12 0.19 0.00 -0.55 0.24 0.00 0.00 174.94 174.94 1ijx s SER 117 N -2.02 0.65 0.63 4.36 0.15 -1.26 -1.14 113.70 115.07 1ijx s SER 117 Ca 0.22 -1.10 -0.09 0.00 0.70 0.00 0.00 55.95 55.67 1ijx s SER 117 Cb -0.11 0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.39 1ijx s SER 117 CO 0.14 -0.62 1.00 -2.16 1.20 0.00 0.00 173.24 172.79 1ijx s PRO 118 N -3.95 3.16 0.02 5.44 0.04 -1.26 -5.08 135.00 133.37 1ijx s PRO 118 Ca 0.17 0.40 0.01 0.00 0.04 0.00 0.00 61.00 61.62 1ijx s PRO 118 Cb 0.07 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.46 1ijx s PRO 118 CO -0.03 -0.73 -0.04 -2.00 0.04 0.00 0.00 177.00 174.24 1ijx s GLU 119 N -5.15 0.33 0.39 4.56 2.56 -1.26 -5.13 118.70 115.00 1ijx s GLU 119 Ca 0.55 -0.49 -0.27 0.00 0.00 0.00 0.00 54.97 54.76 1ijx s GLU 119 Cb -0.11 -0.10 -0.11 0.00 2.00 0.00 0.00 34.13 35.82 1ijx s GLU 119 CO 0.50 0.01 1.36 0.00 -0.56 0.00 0.00 175.26 176.57 1ijx n ALA 120 N 2.00 1.69 -2.41 6.30 0.00 -1.26 -5.02 120.51 121.81 1ijx n ALA 120 Ca -0.20 0.31 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 1ijx n ALA 120 Cb 0.56 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.58 1ijx n ALA 120 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1ijx s ILE 121 N -1.15 1.87 -0.31 0.00 -4.36 -1.26 -5.11 121.20 110.87 1ijx s ILE 121 Ca 0.57 -2.09 -0.22 0.00 -0.26 0.00 0.00 60.65 58.65 1ijx s ILE 121 Cb -0.51 -1.98 -0.00 0.00 1.25 0.00 0.00 42.46 41.22 1ijx s ILE 121 CO 0.61 -0.43 0.71 -0.69 0.24 0.00 0.00 174.94 175.37 1ijx s VAL 122 N -2.46 4.86 0.12 8.37 1.01 -1.26 -5.03 120.40 126.01 1ijx s VAL 122 Ca 0.20 0.99 -0.09 0.00 0.00 0.00 0.00 61.98 63.09 1ijx s VAL 122 Cb -0.04 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 1ijx s VAL 122 CO 0.08 -0.21 0.23 0.42 0.00 0.00 0.00 175.10 175.61 1ijx s THR 123 N 2.80 0.11 -0.11 3.92 -4.23 -1.26 -5.17 115.64 111.70 1ijx s THR 123 Ca 0.29 -1.26 -0.13 0.00 -1.18 0.00 0.00 61.69 59.40 1ijx s THR 123 Cb -0.14 -1.54 0.03 0.00 1.34 0.00 0.00 72.50 72.19 1ijx s THR 123 CO 0.12 -0.50 0.36 0.00 -0.54 0.00 0.00 174.62 174.06 1ijx s ALA 124 N -3.90 -0.88 0.00 3.99 0.00 -1.26 -5.34 121.76 114.37 1ijx s ALA 124 Ca 0.10 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.94 1ijx s ALA 124 Cb 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.72 1ijx s ALA 124 CO -0.07 -0.19 0.00 -0.40 0.00 0.00 0.00 175.76 175.10