#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ojx h LEU 4 N 0.00 0.00 -0.56 1.20 3.38 -1.98 -2.66 115.31 114.69 1ojx h LEU 4 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1ojx h LEU 4 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ojx h LEU 4 CO 0.00 0.06 0.10 0.74 0.09 0.00 0.00 178.44 179.43 1ojx h THR 5 N 0.00 1.25 -0.66 0.22 2.02 -1.96 -1.37 112.91 112.42 1ojx h THR 5 Ca -0.00 -0.94 -0.06 0.00 0.77 0.00 0.00 66.41 66.18 1ojx h THR 5 Cb 0.93 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 1ojx h THR 5 CO 0.01 0.34 0.19 -0.33 0.37 0.00 0.00 175.52 176.10 1ojx h GLU 6 N 0.81 1.03 -0.28 6.66 5.08 -1.85 -1.01 114.58 125.02 1ojx h GLU 6 Ca 0.17 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ojx h GLU 6 Cb 0.39 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1ojx h GLU 6 CO 0.01 0.90 0.13 -0.22 -1.00 0.00 0.00 179.01 178.83 1ojx h LYS 7 N 0.96 0.40 -0.64 2.33 3.64 -1.42 -1.62 116.57 120.22 1ojx h LYS 7 Ca 0.21 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.64 1ojx h LYS 7 Cb 0.31 -0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.98 1ojx h LYS 7 CO -0.00 0.40 0.19 0.35 -2.27 0.00 0.00 179.45 178.11 1ojx h PHE 8 N 0.31 0.31 -0.23 1.91 3.57 -0.96 -2.02 116.94 119.83 1ojx h PHE 8 Ca 0.09 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 1ojx h PHE 8 Cb 0.13 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 1ojx h PHE 8 CO -0.02 0.02 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.64 1ojx h LEU 9 N 0.33 0.53 -0.73 0.59 3.38 -0.93 0.22 115.31 118.71 1ojx h LEU 9 Ca 0.33 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1ojx h LEU 9 Cb 0.48 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1ojx h LEU 9 CO -0.38 0.86 0.29 -0.09 0.09 0.00 0.00 178.44 179.20 1ojx h ARG 10 N 0.43 1.09 0.12 1.13 2.43 -0.91 -1.13 114.38 117.54 1ojx h ARG 10 Ca 0.04 -0.20 -0.27 0.00 -0.81 0.00 0.00 59.98 58.75 1ojx h ARG 10 Cb 0.84 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1ojx h ARG 10 CO 0.07 0.89 -1.34 0.82 -1.51 0.00 0.00 179.97 178.90 1ojx h ILE 11 N 1.04 1.10 -0.01 1.20 2.04 -1.09 -3.37 117.51 118.42 1ojx h ILE 11 Ca 0.24 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.67 1ojx h ILE 11 Cb 0.21 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 1ojx h ILE 11 CO -0.02 0.71 -0.10 0.49 0.00 0.00 0.00 178.15 179.23 1ojx n PHE 12 N -3.93 0.00 -2.71 1.37 3.72 0.74 -4.62 117.46 112.03 1ojx n PHE 12 Ca -0.23 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.11 1ojx n PHE 12 Cb 0.90 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.51 1ojx n PHE 12 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1ojx n ALA 13 N 0.44 2.58 -0.05 4.37 0.00 -0.44 -4.50 120.51 122.92 1ojx n ALA 13 Ca 0.07 -2.26 0.16 0.00 0.00 0.00 0.00 53.44 51.41 1ojx n ALA 13 Cb 0.33 -0.93 0.59 0.00 0.00 0.00 0.00 19.45 19.43 1ojx n ALA 13 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1ojx h ARG 14 N 2.38 0.22 -0.01 0.00 0.11 -1.69 -0.97 114.38 114.41 1ojx h ARG 14 Ca -0.20 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.86 1ojx h ARG 14 Cb 1.25 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 32.28 1ojx h ARG 14 CO 0.19 0.14 -0.03 0.54 0.10 0.00 0.00 179.97 180.91 1ojx n ARG 15 N -4.44 1.40 0.00 0.08 1.74 -1.26 -4.92 116.66 109.25 1ojx n ARG 15 Ca 0.10 -0.70 0.00 0.00 -0.77 0.00 0.00 57.85 56.48 1ojx n ARG 15 Cb 0.50 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 1ojx n ARG 15 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ojx n GLY 16 N 1.17 2.97 3.35 -0.13 0.00 -0.37 -5.03 105.19 107.15 1ojx n GLY 16 Ca 0.19 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.03 1ojx n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ojx s LYS 17 N -0.56 1.45 -0.01 1.61 -0.14 -1.26 -4.97 119.74 115.86 1ojx s LYS 17 Ca 0.00 -1.78 0.01 0.00 -1.36 0.00 0.00 55.97 52.84 1ojx s LYS 17 Cb 0.00 -0.48 0.00 0.00 -1.68 0.00 0.00 37.83 35.67 1ojx s LYS 17 CO 0.00 -0.23 -0.03 0.45 -0.76 0.00 0.00 175.35 174.78 1ojx s SER 18 N -3.35 0.44 -0.12 2.83 0.15 -0.58 -4.57 113.70 108.50 1ojx s SER 18 Ca 0.35 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.95 1ojx s SER 18 Cb 0.08 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 1ojx s SER 18 CO 0.13 0.02 -0.15 -0.63 1.20 0.00 0.00 173.24 173.81 1ojx s ILE 19 N 0.12 1.53 -0.10 6.45 1.01 -1.26 -1.74 121.20 127.21 1ojx s ILE 19 Ca -0.01 -0.64 0.01 0.00 0.00 0.00 0.00 60.65 60.02 1ojx s ILE 19 Cb -0.04 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1ojx s ILE 19 CO -0.00 0.45 -0.14 -0.63 0.00 0.00 0.00 174.94 174.62 1ojx s ILE 20 N 1.19 3.02 -0.46 2.92 -1.09 -0.73 -1.10 121.20 124.96 1ojx s ILE 20 Ca -0.02 -0.70 -0.20 0.00 -2.23 0.00 0.00 60.65 57.51 1ojx s ILE 20 Cb -0.14 -2.24 0.04 0.00 -1.58 0.00 0.00 42.46 38.54 1ojx s ILE 20 CO -0.05 0.55 0.61 -0.22 -1.23 0.00 0.00 174.94 174.59 1ojx s LEU 21 N -0.03 4.71 0.06 2.97 2.96 0.08 -1.29 118.68 128.13 1ojx s LEU 21 Ca -0.03 -0.59 -0.22 0.00 -0.22 0.00 0.00 54.13 53.06 1ojx s LEU 21 Cb -0.14 -2.58 -0.06 0.00 0.50 0.00 0.00 46.19 43.91 1ojx s LEU 21 CO 0.04 -0.79 0.67 0.00 -1.32 0.00 0.00 176.35 174.95 1ojx s ALA 22 N 2.67 3.47 -0.30 5.97 0.00 -0.28 -1.70 121.76 131.58 1ojx s ALA 22 Ca 0.18 0.17 0.18 0.00 0.00 0.00 0.00 51.96 52.49 1ojx s ALA 22 Cb -0.16 -2.83 0.46 0.00 0.00 0.00 0.00 23.12 20.58 1ojx s ALA 22 CO 0.16 0.21 1.31 0.98 0.00 0.00 0.00 175.76 178.42 1ojx n TYR 23 N 2.31 -0.37 1.03 0.00 9.36 -0.77 -4.41 117.16 124.31 1ojx n TYR 23 Ca -0.06 -1.96 0.09 0.00 3.32 0.00 0.00 57.90 59.29 1ojx n TYR 23 Cb 0.50 0.64 0.29 0.00 -0.63 0.00 0.00 39.34 40.15 1ojx n TYR 23 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1ojx n ASP 24 N -1.02 1.88 -0.33 2.98 5.75 -1.25 -4.56 116.55 120.01 1ojx n ASP 24 Ca -0.05 -1.82 0.09 0.00 -0.01 0.00 0.00 54.79 53.00 1ojx n ASP 24 Cb 0.84 -0.16 0.29 0.00 -1.03 0.00 0.00 41.12 41.06 1ojx n ASP 24 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 1ojx h HIS 25 N 2.33 1.02 -0.99 2.11 2.76 -1.94 -2.45 115.15 118.00 1ojx h HIS 25 Ca 0.00 0.03 0.14 0.00 -2.20 0.00 0.00 60.37 58.34 1ojx h HIS 25 Cb 0.52 -0.32 -0.09 0.00 1.55 0.00 0.00 27.41 29.07 1ojx h HIS 25 CO 0.16 0.39 0.62 0.78 -1.30 0.00 0.00 177.93 178.58 1ojx h GLY 26 N 0.88 1.60 0.62 5.26 0.00 -1.80 0.19 103.07 109.81 1ojx h GLY 26 Ca 0.48 -0.39 -0.30 0.00 0.00 0.00 0.00 47.33 47.11 1ojx h GLY 26 CO -0.25 0.10 -1.57 1.19 0.00 0.00 0.00 176.54 176.02 1ojx h ILE 27 N 0.90 0.94 -0.40 2.60 2.10 -1.85 -3.01 117.51 118.79 1ojx h ILE 27 Ca 0.51 -2.40 -0.12 0.00 1.08 0.00 0.00 64.86 63.92 1ojx h ILE 27 Cb 0.61 2.67 -0.01 0.00 -1.09 0.00 0.00 36.82 39.00 1ojx h ILE 27 CO -0.28 0.75 -0.23 -0.33 -1.08 0.00 0.00 178.15 176.98 1ojx h GLU 28 N -0.19 0.80 0.00 2.19 4.39 -0.96 -3.36 114.58 117.44 1ojx h GLU 28 Ca -0.33 -0.33 0.00 0.00 0.34 0.00 0.00 59.36 59.04 1ojx h GLU 28 Cb 1.85 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 1ojx h GLU 28 CO 0.08 0.95 -0.55 0.72 -1.16 0.00 0.00 179.01 179.04 1ojx n HIS 29 N -4.11 0.00 0.00 4.33 8.25 0.58 -2.77 115.22 121.51 1ojx n HIS 29 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ojx n HIS 29 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1ojx n HIS 29 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ojx n GLY 30 N 1.67 -1.37 0.23 -1.41 0.00 -0.71 -4.70 105.19 98.90 1ojx n GLY 30 Ca 0.00 -1.57 0.09 0.00 0.00 0.00 0.00 46.02 44.54 1ojx n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ojx n PRO 31 N -1.52 1.30 -0.24 1.61 -0.04 -1.26 -4.34 135.00 130.50 1ojx n PRO 31 Ca 0.00 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 1ojx n PRO 31 Cb 0.00 -1.31 0.12 0.00 -0.04 0.00 0.00 33.50 32.27 1ojx n PRO 31 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ojx h ALA 32 N 3.73 0.96 0.00 0.55 0.00 -1.98 -1.78 119.26 120.74 1ojx h ALA 32 Ca 0.00 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ojx h ALA 32 Cb 0.20 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ojx h ALA 32 CO 0.00 0.01 -0.00 -0.44 0.00 0.00 0.00 179.25 178.82 1ojx h ASP 33 N 0.66 0.00 0.16 0.00 3.32 -1.93 -2.46 116.42 116.17 1ojx h ASP 33 Ca 0.33 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 1ojx h ASP 33 Cb 0.29 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 1ojx h ASP 33 CO -0.23 0.00 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.02 1ojx h PHE 34 N 0.00 0.00 -0.60 4.55 0.04 -1.62 -3.23 116.94 116.08 1ojx h PHE 34 Ca -0.00 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1ojx h PHE 34 Cb 0.42 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 1ojx h PHE 34 CO 0.00 0.02 0.33 0.52 -0.60 0.00 0.00 178.31 178.58 1ojx h MET 35 N 0.00 0.82 -0.81 1.51 2.86 -1.56 -2.82 114.93 114.93 1ojx h MET 35 Ca -0.00 -0.08 0.14 0.00 -2.06 0.00 0.00 59.70 57.70 1ojx h MET 35 Cb 0.11 -0.17 -0.09 0.00 0.06 0.00 0.00 31.60 31.51 1ojx h MET 35 CO 0.00 0.60 0.40 -0.44 1.06 0.00 0.00 176.91 178.53 1ojx h ASP 36 N 0.83 0.48 -2.58 1.22 5.19 -1.79 -3.29 116.42 116.48 1ojx h ASP 36 Ca 0.21 0.09 -0.60 0.00 -0.62 0.00 0.00 57.03 56.12 1ojx h ASP 36 Cb 0.01 0.02 -0.39 0.00 0.18 0.00 0.00 39.33 39.15 1ojx h ASP 36 CO -0.04 0.21 -0.88 0.21 -3.12 0.00 0.00 179.24 175.62 1ojx s ASN 37 N -5.43 2.28 0.58 6.45 2.47 -1.15 -4.85 114.94 115.29 1ojx s ASN 37 Ca -0.12 -3.10 0.28 0.00 0.42 0.00 0.00 52.86 50.34 1ojx s ASN 37 Cb 0.21 -0.67 1.64 0.00 -1.45 0.00 0.00 41.25 40.98 1ojx s ASN 37 CO 0.77 -0.17 2.11 1.55 -3.72 0.00 0.00 177.10 177.64 1ojx h PRO 38 N 5.79 0.00 -0.09 0.43 0.13 -1.58 0.96 132.00 137.65 1ojx h PRO 38 Ca 0.21 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.37 1ojx h PRO 38 Cb 0.89 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1ojx h PRO 38 CO 0.43 0.00 0.11 -0.44 -0.23 0.00 0.00 178.00 177.87 1ojx h ASP 39 N 0.00 0.00 0.29 1.44 3.32 -1.94 -2.11 116.42 117.42 1ojx h ASP 39 Ca 0.08 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1ojx h ASP 39 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1ojx h ASP 39 CO -0.00 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.29 1ojx h SER 40 N 0.00 0.00 0.77 6.45 4.64 -1.05 -1.35 113.55 123.02 1ojx h SER 40 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1ojx h SER 40 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1ojx h SER 40 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1ojx h ALA 41 N 2.02 1.00 -2.54 5.18 0.00 -1.58 -3.43 119.26 119.90 1ojx h ALA 41 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.22 1ojx h ALA 41 Cb 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.74 1ojx h ALA 41 CO 0.00 0.00 -0.37 0.34 0.00 0.00 0.00 179.25 179.22 1ojx s ASP 42 N -4.63 6.13 0.52 0.00 2.15 -0.51 -4.98 116.67 115.35 1ojx s ASP 42 Ca 0.03 -0.62 0.25 0.00 0.43 0.00 0.00 52.55 52.64 1ojx s ASP 42 Cb 0.09 -2.17 1.38 0.00 -0.30 0.00 0.00 42.92 41.92 1ojx s ASP 42 CO 0.43 -0.40 1.98 -0.65 -0.17 0.00 0.00 175.17 176.35 1ojx h PRO 43 N 8.59 0.03 -0.74 4.34 0.11 -1.86 -2.00 132.00 140.47 1ojx h PRO 43 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1ojx h PRO 43 Cb 1.13 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.20 1ojx h PRO 43 CO 0.71 0.02 0.47 1.49 -0.21 0.00 0.00 178.00 180.48 1ojx h GLU 44 N 0.03 0.99 -0.79 1.05 4.81 -1.93 -1.58 114.58 117.16 1ojx h GLU 44 Ca 0.28 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1ojx h GLU 44 Cb 1.08 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.21 1ojx h GLU 44 CO -0.01 0.67 0.43 -0.92 -0.73 0.00 0.00 179.01 178.45 1ojx h TYR 45 N 1.01 1.09 -0.50 0.92 3.20 -1.64 -2.23 116.97 118.82 1ojx h TYR 45 Ca 0.27 -0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1ojx h TYR 45 Cb -0.08 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 37.82 1ojx h TYR 45 CO -0.02 0.77 0.26 0.82 -1.64 0.00 0.00 178.16 178.35 1ojx h ILE 46 N 1.10 1.18 -0.83 1.81 1.08 -1.30 -1.24 117.51 119.32 1ojx h ILE 46 Ca 0.28 -0.50 -0.01 0.00 -0.39 0.00 0.00 64.86 64.23 1ojx h ILE 46 Cb 0.05 0.59 -0.04 0.00 -3.07 0.00 0.00 36.82 34.35 1ojx h ILE 46 CO -0.04 0.20 0.46 -0.07 -0.69 0.00 0.00 178.15 178.01 1ojx h LEU 47 N 0.67 1.03 -0.45 1.44 3.38 -1.12 -1.78 115.31 118.47 1ojx h LEU 47 Ca 0.17 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1ojx h LEU 47 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1ojx h LEU 47 CO -0.02 0.83 0.06 0.03 0.09 0.00 0.00 178.44 179.42 1ojx h ARG 48 N 1.15 0.76 -0.30 1.13 3.08 -1.16 -1.92 114.38 117.11 1ojx h ARG 48 Ca 0.29 -0.21 0.03 0.00 0.07 0.00 0.00 59.98 60.16 1ojx h ARG 48 Cb 0.02 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 1ojx h ARG 48 CO -0.05 0.79 0.12 1.25 -1.07 0.00 0.00 179.97 181.01 1ojx h LEU 49 N 0.62 0.15 -0.71 3.04 5.85 -0.96 0.21 115.31 123.51 1ojx h LEU 49 Ca 0.13 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1ojx h LEU 49 Cb 0.41 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1ojx h LEU 49 CO 0.01 0.12 0.45 0.00 -0.34 0.00 0.00 178.44 178.68 1ojx h ALA 50 N 1.18 0.93 -0.15 1.25 0.00 -1.17 -1.68 119.26 119.62 1ojx h ALA 50 Ca 0.13 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1ojx h ALA 50 Cb 0.08 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ojx h ALA 50 CO -0.12 0.23 -0.41 -0.09 0.00 0.00 0.00 179.25 178.86 1ojx h ARG 51 N 0.88 0.54 0.00 0.00 2.43 -0.99 -1.01 114.38 116.23 1ojx h ARG 51 Ca 0.28 -0.38 -0.07 0.00 -0.81 0.00 0.00 59.98 59.00 1ojx h ARG 51 Cb 0.01 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1ojx h ARG 51 CO -0.10 1.00 -0.35 -0.44 -1.51 0.00 0.00 179.97 178.56 1ojx h ASP 52 N 0.16 0.00 0.50 -3.80 3.32 -0.47 -2.63 116.42 113.49 1ojx h ASP 52 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ojx h ASP 52 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1ojx h ASP 52 CO 0.09 0.35 -0.32 0.00 -1.72 0.00 0.00 179.24 177.64 1ojx n ALA 53 N -2.38 3.17 -2.21 3.45 0.00 -0.64 -4.95 120.51 116.95 1ojx n ALA 53 Ca -0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 53.44 53.03 1ojx n ALA 53 Cb 0.43 -1.20 -0.00 0.00 0.00 0.00 0.00 19.45 18.67 1ojx n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ojx n GLY 54 N 1.44 0.04 3.78 0.00 0.00 -0.99 -4.76 105.19 104.69 1ojx n GLY 54 Ca 0.08 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 1ojx n GLY 54 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ojx s PHE 55 N -2.46 2.68 -0.19 1.61 0.08 -0.41 -5.00 117.98 114.28 1ojx s PHE 55 Ca 0.01 1.20 0.18 0.00 0.12 0.00 0.00 56.93 58.44 1ojx s PHE 55 Cb -0.01 -3.13 0.02 0.00 -0.57 0.00 0.00 43.02 39.34 1ojx s PHE 55 CO 0.02 -1.94 1.18 -0.44 -0.10 0.00 0.00 175.22 173.95 1ojx h ASP 56 N -1.21 0.00 -5.51 1.36 3.32 -1.42 -3.46 116.42 109.50 1ojx h ASP 56 Ca -0.47 0.00 0.23 0.00 0.02 0.00 0.00 57.03 56.81 1ojx h ASP 56 Cb 1.27 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.74 1ojx h ASP 56 CO 0.58 0.38 0.64 -0.83 -1.72 0.00 0.00 179.24 178.28 1ojx s GLY 57 N -4.53 -0.22 0.09 2.75 0.00 -1.22 -4.13 107.32 100.08 1ojx s GLY 57 Ca 0.01 0.20 0.05 0.00 0.00 0.00 0.00 44.72 44.98 1ojx s GLY 57 CO 0.77 0.83 -0.12 -1.34 0.00 0.00 0.00 173.10 173.24 1ojx s VAL 58 N -2.73 1.06 -0.20 1.40 -7.23 -0.71 -0.74 120.40 111.25 1ojx s VAL 58 Ca 0.16 -1.55 -0.01 0.00 -1.81 0.00 0.00 61.98 58.76 1ojx s VAL 58 Cb 0.00 -1.30 0.01 0.00 0.56 0.00 0.00 36.38 35.65 1ojx s VAL 58 CO 0.01 -0.43 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.55 1ojx s VAL 59 N -2.03 2.69 0.08 1.32 1.01 -0.69 -0.91 120.40 121.86 1ojx s VAL 59 Ca 0.04 -0.72 0.07 0.00 0.00 0.00 0.00 61.98 61.36 1ojx s VAL 59 Cb -0.05 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1ojx s VAL 59 CO 0.01 0.48 -0.19 -0.36 0.00 0.00 0.00 175.10 175.05 1ojx s PHE 60 N 1.38 1.60 0.80 5.22 0.08 -1.03 -1.84 117.98 124.19 1ojx s PHE 60 Ca 0.05 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.59 1ojx s PHE 60 Cb -0.14 -0.91 0.07 0.00 -0.57 0.00 0.00 43.02 41.48 1ojx s PHE 60 CO -0.08 0.13 1.09 -0.65 -0.10 0.00 0.00 175.22 175.61 1ojx s GLN 61 N -1.62 2.05 0.28 0.44 -1.52 -1.26 -1.45 119.66 116.58 1ojx s GLN 61 Ca 0.04 1.06 0.00 0.00 -1.95 0.00 0.00 55.36 54.51 1ojx s GLN 61 Cb -0.09 -1.88 0.51 0.00 -0.22 0.00 0.00 33.01 31.32 1ojx s GLN 61 CO 0.03 -1.76 1.84 0.07 -0.25 0.00 0.00 175.29 175.23 1ojx h ARG 62 N -1.21 0.99 -0.50 2.91 0.11 -1.94 -1.35 114.38 113.39 1ojx h ARG 62 Ca -0.45 -0.06 -0.11 0.00 0.10 0.00 0.00 59.98 59.46 1ojx h ARG 62 Cb 1.24 -0.22 -0.02 0.00 1.11 0.00 0.00 29.97 32.08 1ojx h ARG 62 CO 0.53 0.65 -0.10 0.78 0.10 0.00 0.00 179.97 181.93 1ojx h GLY 63 N 1.02 1.04 0.97 0.08 0.00 -1.97 -0.05 103.07 104.16 1ojx h GLY 63 Ca 0.48 -0.84 -0.10 0.00 0.00 0.00 0.00 47.33 46.86 1ojx h GLY 63 CO -0.25 0.77 -0.16 -2.22 0.00 0.00 0.00 176.54 174.69 1ojx h ILE 64 N 0.82 1.28 -0.09 2.60 1.08 -1.86 -2.27 117.51 119.07 1ojx h ILE 64 Ca 0.13 -1.27 0.02 0.00 -0.39 0.00 0.00 64.86 63.34 1ojx h ILE 64 Cb 0.66 1.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.75 1ojx h ILE 64 CO 0.05 0.42 -0.02 0.00 -0.69 0.00 0.00 178.15 177.90 1ojx h ALA 65 N 0.79 0.06 -0.59 1.87 0.00 -1.10 -0.93 119.26 119.36 1ojx h ALA 65 Ca 0.08 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1ojx h ALA 65 Cb 0.70 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1ojx h ALA 65 CO 0.05 -0.49 0.32 1.49 0.00 0.00 0.00 179.25 180.63 1ojx h GLU 66 N 0.00 0.60 0.00 0.00 4.81 -0.97 -0.29 114.58 118.73 1ojx h GLU 66 Ca 0.04 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1ojx h GLU 66 Cb 0.06 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.29 1ojx h GLU 66 CO -0.09 0.40 -0.95 0.87 -0.73 0.00 0.00 179.01 178.51 1ojx h LYS 67 N 0.62 0.00 0.00 1.92 6.56 -1.37 -3.41 116.57 120.88 1ojx h LYS 67 Ca 0.26 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.85 1ojx h LYS 67 Cb 0.14 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.80 1ojx h LYS 67 CO -0.16 0.35 -0.54 0.66 -2.06 0.00 0.00 179.45 177.70 1ojx n TYR 68 N -3.02 0.00 -2.27 -1.35 4.01 -0.36 -5.06 117.16 109.11 1ojx n TYR 68 Ca -0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 1ojx n TYR 68 Cb 0.76 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.76 1ojx n TYR 68 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1ojx s TYR 69 N -1.19 3.32 0.00 -0.72 5.04 -0.13 -4.92 117.35 118.76 1ojx s TYR 69 Ca 0.00 1.22 0.00 0.00 -2.44 0.00 0.00 57.07 55.85 1ojx s TYR 69 Cb 0.00 -3.56 0.00 0.00 0.35 0.00 0.00 41.96 38.75 1ojx s TYR 69 CO 0.00 -1.76 0.89 -0.40 -1.34 0.00 0.00 175.55 172.94 1ojx n ASP 70 N 3.07 1.56 0.00 4.32 5.75 -1.26 -4.95 116.55 125.03 1ojx n ASP 70 Ca 0.07 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1ojx n ASP 70 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1ojx n ASP 70 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ojx n GLY 71 N -0.39 0.50 0.14 6.12 0.00 -1.26 -4.95 105.19 105.35 1ojx n GLY 71 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1ojx n GLY 71 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ojx h SER 72 N 0.00 0.00 -3.93 1.61 4.64 -1.98 -3.44 113.55 110.45 1ojx h SER 72 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1ojx h SER 72 Cb 0.06 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 61.88 1ojx h SER 72 CO 0.00 0.17 -0.73 -0.69 -0.87 0.00 0.00 176.83 174.70 1ojx s VAL 73 N -3.19 0.18 0.25 0.95 1.01 -1.26 -4.96 120.40 113.37 1ojx s VAL 73 Ca 0.02 -0.19 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1ojx s VAL 73 Cb 0.08 -0.18 -0.14 0.00 0.00 0.00 0.00 36.38 36.14 1ojx s VAL 73 CO 0.76 -0.01 1.19 -2.65 0.00 0.00 0.00 175.10 174.39 1ojx n PRO 74 N 2.86 1.56 -4.42 2.72 -0.02 -1.26 -4.76 135.00 131.67 1ojx n PRO 74 Ca -0.14 0.55 -0.34 0.00 -2.02 0.00 0.00 63.50 61.56 1ojx n PRO 74 Cb 0.59 -2.06 -0.13 0.00 -0.02 0.00 0.00 33.50 31.88 1ojx n PRO 74 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ojx s LEU 75 N 0.26 3.13 -0.33 2.45 2.96 -1.26 -1.74 118.68 124.15 1ojx s LEU 75 Ca 0.65 -0.19 -0.11 0.00 -0.22 0.00 0.00 54.13 54.26 1ojx s LEU 75 Cb -0.72 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.21 1ojx s LEU 75 CO 0.55 0.15 0.20 -0.63 -1.32 0.00 0.00 176.35 175.30 1ojx s ILE 76 N 0.47 4.97 -0.45 6.68 1.01 -0.09 -0.56 121.20 133.23 1ojx s ILE 76 Ca -0.05 -0.32 -0.24 0.00 0.00 0.00 0.00 60.65 60.05 1ojx s ILE 76 Cb -0.15 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.80 1ojx s ILE 76 CO 0.03 0.02 0.82 -0.22 0.00 0.00 0.00 174.94 175.59 1ojx s LEU 77 N 1.67 4.19 -0.42 2.97 1.98 -0.71 -2.45 118.68 125.91 1ojx s LEU 77 Ca 0.05 -0.02 -0.29 0.00 -2.89 0.00 0.00 54.13 50.98 1ojx s LEU 77 Cb -0.17 -3.02 0.02 0.00 0.66 0.00 0.00 46.19 43.68 1ojx s LEU 77 CO 0.09 -0.93 1.19 -0.75 -1.89 0.00 0.00 176.35 174.06 1ojx s LYS 78 N 3.38 3.78 0.05 1.98 2.47 -0.53 -0.90 119.74 129.98 1ojx s LYS 78 Ca 0.32 0.80 0.02 0.00 -1.56 0.00 0.00 55.97 55.54 1ojx s LYS 78 Cb -0.12 -3.89 -0.25 0.00 -1.46 0.00 0.00 37.83 32.11 1ojx s LYS 78 CO 0.23 -1.30 1.05 -0.07 0.16 0.00 0.00 175.35 175.42 1ojx h LEU 79 N 11.15 0.23 -9.65 5.43 3.38 -1.38 -3.40 115.31 121.08 1ojx h LEU 79 Ca -0.24 -0.29 -0.57 0.00 0.09 0.00 0.00 57.88 56.87 1ojx h LEU 79 Cb 1.07 -0.08 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 1ojx h LEU 79 CO 1.09 1.23 -0.61 0.54 0.09 0.00 0.00 178.44 180.79 1ojx s ASN 80 N -6.84 5.07 -0.16 -0.43 4.22 -1.26 -0.80 114.94 114.74 1ojx s ASN 80 Ca -0.04 -0.33 -0.26 0.00 -2.14 0.00 0.00 52.86 50.09 1ojx s ASN 80 Cb 0.08 -1.18 0.07 0.00 1.28 0.00 0.00 41.25 41.50 1ojx s ASN 80 CO 0.85 0.05 0.66 -0.83 -2.04 0.00 0.00 177.10 175.79 1ojx s GLY 81 N -3.23 -0.52 0.26 0.45 0.00 -1.21 -4.86 107.32 98.21 1ojx s GLY 81 Ca 0.30 1.61 0.01 0.00 0.00 0.00 0.00 44.72 46.64 1ojx s GLY 81 CO 0.21 1.31 0.11 -1.59 0.00 0.00 0.00 173.10 173.15 1ojx s LYS 82 N -0.33 1.41 0.25 2.90 -2.85 -1.26 -4.27 119.74 115.58 1ojx s LYS 82 Ca -0.05 -1.76 0.08 0.00 -1.00 0.00 0.00 55.97 53.23 1ojx s LYS 82 Cb -0.03 -0.16 -0.04 0.00 -2.06 0.00 0.00 37.83 35.55 1ojx s LYS 82 CO 0.05 -0.33 0.13 0.95 0.10 0.00 0.00 175.35 176.24 1ojx s THR 83 N -3.80 4.13 -1.00 3.79 -4.23 -1.26 -3.60 115.64 109.68 1ojx s THR 83 Ca 0.38 -1.53 0.26 0.00 -1.18 0.00 0.00 61.69 59.62 1ojx s THR 83 Cb 0.07 -3.21 0.22 0.00 1.34 0.00 0.00 72.50 70.92 1ojx s THR 83 CO 0.14 -0.33 1.85 0.35 -0.54 0.00 0.00 174.62 176.09 1ojx n THR 84 N -0.99 0.18 0.23 3.99 -2.24 -1.11 -3.09 114.28 111.26 1ojx n THR 84 Ca -0.08 0.04 0.09 0.00 -2.27 0.00 0.00 64.05 61.84 1ojx n THR 84 Cb 0.58 -0.59 0.57 0.00 -2.10 0.00 0.00 70.33 68.79 1ojx n THR 84 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ojx h LEU 85 N 0.00 0.00 -9.79 3.22 3.38 -1.95 -3.44 115.31 106.73 1ojx h LEU 85 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1ojx h LEU 85 Cb 0.46 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.25 1ojx h LEU 85 CO 0.00 0.21 0.58 -0.47 0.09 0.00 0.00 178.44 178.85 1ojx s TYR 86 N -4.10 3.30 -0.36 1.13 5.04 -1.18 -4.97 117.35 116.20 1ojx s TYR 86 Ca -0.02 1.46 0.06 0.00 -2.44 0.00 0.00 57.07 56.13 1ojx s TYR 86 Cb 0.13 -3.51 -0.05 0.00 0.35 0.00 0.00 41.96 38.87 1ojx s TYR 86 CO 0.63 -1.39 0.32 0.09 -1.34 0.00 0.00 175.55 173.86 1ojx n ASN 87 N 1.54 0.45 -2.61 4.32 3.02 -1.26 -5.03 115.26 115.67 1ojx n ASN 87 Ca 0.02 -0.72 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 1ojx n ASN 87 Cb 0.43 0.88 0.00 0.00 -0.61 0.00 0.00 39.78 40.48 1ojx n ASN 87 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ojx n GLY 88 N 1.06 -2.37 3.73 7.41 0.00 -1.26 -4.97 105.19 108.78 1ojx n GLY 88 Ca 0.02 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 1ojx n GLY 88 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ojx n GLU 89 N -1.31 2.56 -1.66 1.61 -0.58 -1.26 -4.86 120.64 115.15 1ojx n GLU 89 Ca 0.00 0.91 -0.49 0.00 -0.42 0.00 0.00 57.16 57.17 1ojx n GLU 89 Cb 0.00 -2.67 -0.05 0.00 -0.57 0.00 0.00 31.44 28.15 1ojx n GLU 89 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1ojx n PRO 90 N 2.19 1.85 -3.62 3.49 -0.02 -1.26 -4.83 135.00 132.80 1ojx n PRO 90 Ca 0.09 0.67 -0.15 0.00 -2.02 0.00 0.00 63.50 62.09 1ojx n PRO 90 Cb 0.35 -2.42 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 1ojx n PRO 90 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ojx s VAL 91 N 1.57 0.00 -0.15 -1.45 0.11 -1.26 -4.46 120.40 114.75 1ojx s VAL 91 Ca 0.84 -0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 59.82 1ojx s VAL 91 Cb -0.77 -0.93 0.08 0.00 -1.53 0.00 0.00 36.38 33.22 1ojx s VAL 91 CO 0.44 -0.01 0.24 -0.55 -3.33 0.00 0.00 175.10 171.89 1ojx s SER 92 N -0.20 0.71 0.14 3.54 0.15 -1.26 -4.75 113.70 112.03 1ojx s SER 92 Ca -0.04 0.29 0.04 0.00 0.70 0.00 0.00 55.95 56.94 1ojx s SER 92 Cb -0.03 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 64.81 1ojx s SER 92 CO 0.04 -0.27 0.14 0.68 1.20 0.00 0.00 173.24 175.03 1ojx s VAL 93 N 2.38 4.62 0.23 4.45 -7.23 -1.26 -4.76 120.40 118.83 1ojx s VAL 93 Ca 0.04 -0.94 -0.31 0.00 -1.81 0.00 0.00 61.98 58.96 1ojx s VAL 93 Cb -0.13 -3.33 -0.10 0.00 0.56 0.00 0.00 36.38 33.37 1ojx s VAL 93 CO -0.10 -0.04 1.53 0.00 -0.31 0.00 0.00 175.10 176.18 1ojx s ALA 94 N -1.66 3.72 -1.26 1.32 0.00 -1.26 -3.29 121.76 119.34 1ojx s ALA 94 Ca 0.31 1.41 0.14 0.00 0.00 0.00 0.00 51.96 53.82 1ojx s ALA 94 Cb -0.11 -3.61 0.35 0.00 0.00 0.00 0.00 23.12 19.75 1ojx s ALA 94 CO 0.24 -0.82 1.27 0.27 0.00 0.00 0.00 175.76 176.72 1ojx n ASN 95 N 2.93 3.03 -3.63 0.00 0.23 0.01 -4.94 115.26 112.89 1ojx n ASN 95 Ca 0.10 -1.94 -0.16 0.00 -0.53 0.00 0.00 54.58 52.05 1ojx n ASN 95 Cb 0.39 -0.25 -0.07 0.00 -2.08 0.00 0.00 39.78 37.76 1ojx n ASN 95 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ojx s SER 97 N -1.00 6.23 0.20 0.00 1.04 -1.26 -4.89 113.70 114.02 1ojx s SER 97 Ca -0.10 0.24 -0.11 0.00 0.48 0.00 0.00 55.95 56.46 1ojx s SER 97 Cb -0.02 -1.85 0.15 0.00 0.10 0.00 0.00 66.02 64.39 1ojx s SER 97 CO 0.06 -0.26 1.84 0.58 0.98 0.00 0.00 173.24 176.44 1ojx h VAL 98 N 0.88 1.10 -0.71 5.02 2.07 -1.95 -1.59 116.25 121.08 1ojx h VAL 98 Ca -0.50 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 66.82 1ojx h VAL 98 Cb 1.23 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 1ojx h VAL 98 CO 0.60 0.15 0.38 -0.08 0.02 0.00 0.00 177.57 178.64 1ojx h GLU 99 N 0.80 0.66 -0.25 1.57 4.81 -1.95 -1.12 114.58 119.11 1ojx h GLU 99 Ca 0.25 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.33 1ojx h GLU 99 Cb -0.01 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 1ojx h GLU 99 CO -0.09 0.44 -0.31 0.93 -0.73 0.00 0.00 179.01 179.25 1ojx h GLU 100 N 0.68 0.51 -0.79 1.92 5.08 -1.90 -2.65 114.58 117.43 1ojx h GLU 100 Ca 0.33 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1ojx h GLU 100 Cb 0.27 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1ojx h GLU 100 CO -0.22 0.76 0.37 0.00 -1.00 0.00 0.00 179.01 178.92 1ojx h ALA 101 N 1.23 1.02 -0.53 3.43 0.00 -0.27 -1.75 119.26 122.40 1ojx h ALA 101 Ca 0.06 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1ojx h ALA 101 Cb 0.75 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ojx h ALA 101 CO 0.06 0.60 0.32 0.28 0.00 0.00 0.00 179.25 180.51 1ojx h VAL 102 N 1.12 1.07 0.00 0.00 2.07 -1.06 -2.03 116.25 117.43 1ojx h VAL 102 Ca 0.27 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1ojx h VAL 102 Cb 0.13 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1ojx h VAL 102 CO -0.03 0.12 -0.17 -1.28 0.02 0.00 0.00 177.57 176.23 1ojx h SER 103 N 0.65 0.00 -0.17 0.57 0.87 -1.09 -2.37 113.55 112.01 1ojx h SER 103 Ca 0.21 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1ojx h SER 103 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ojx h SER 103 CO -0.08 0.17 0.00 0.18 -0.53 0.00 0.00 176.83 176.56 1ojx n LEU 104 N -3.79 1.70 0.00 2.23 4.77 -0.70 -4.95 117.00 116.26 1ojx n LEU 104 Ca -0.02 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 1ojx n LEU 104 Cb 0.27 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1ojx n LEU 104 CO 0.32 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1ojx n GLY 105 N 1.13 0.76 3.77 -0.72 0.00 -0.89 -4.89 105.19 104.35 1ojx n GLY 105 Ca 0.16 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1ojx n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ojx s ALA 106 N -2.00 3.19 -1.06 4.61 0.00 -0.89 -4.61 121.76 121.00 1ojx s ALA 106 Ca 0.00 1.26 0.20 0.00 0.00 0.00 0.00 51.96 53.42 1ojx s ALA 106 Cb 0.00 -3.50 -0.20 0.00 0.00 0.00 0.00 23.12 19.42 1ojx s ALA 106 CO 0.00 -0.93 0.88 0.43 0.00 0.00 0.00 175.76 176.14 1ojx n SER 107 N -0.10 1.06 -3.66 0.00 7.64 0.28 -4.75 113.62 114.08 1ojx n SER 107 Ca 0.05 -1.03 -0.09 0.00 1.01 0.00 0.00 58.87 58.81 1ojx n SER 107 Cb 0.44 0.95 -0.02 0.00 -1.01 0.00 0.00 64.21 64.56 1ojx n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ojx s ALA 108 N -2.85 -1.40 0.17 -0.43 0.00 -1.09 -4.17 121.76 112.00 1ojx s ALA 108 Ca 0.09 0.06 0.11 0.00 0.00 0.00 0.00 51.96 52.22 1ojx s ALA 108 Cb 0.15 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 24.09 1ojx s ALA 108 CO 0.80 -0.92 -0.24 0.14 0.00 0.00 0.00 175.76 175.54 1ojx s VAL 109 N -3.83 2.29 0.09 0.00 -7.23 -0.35 -1.74 120.40 109.64 1ojx s VAL 109 Ca 0.07 -1.95 0.09 0.00 -1.81 0.00 0.00 61.98 58.38 1ojx s VAL 109 Cb -0.04 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 1ojx s VAL 109 CO -0.02 -0.07 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.64 1ojx s GLY 110 N -2.50 1.31 -0.19 2.32 0.00 -0.08 -0.37 107.32 107.81 1ojx s GLY 110 Ca 0.18 -1.26 -0.12 0.00 0.00 0.00 0.00 44.72 43.52 1ojx s GLY 110 CO 0.09 -1.23 0.47 -0.47 0.00 0.00 0.00 173.10 171.95 1ojx s TYR 111 N -1.03 -0.66 -0.10 1.90 5.04 -0.81 -0.98 117.35 120.71 1ojx s TYR 111 Ca 0.09 1.42 -0.16 0.00 -2.44 0.00 0.00 57.07 55.99 1ojx s TYR 111 Cb -0.10 0.31 -0.05 0.00 0.35 0.00 0.00 41.96 42.48 1ojx s TYR 111 CO 0.04 -0.36 0.40 0.99 -1.34 0.00 0.00 175.55 175.28 1ojx s THR 112 N 1.22 5.19 0.13 4.34 2.01 -1.26 -1.65 115.64 125.61 1ojx s THR 112 Ca -0.08 0.80 0.08 0.00 0.31 0.00 0.00 61.69 62.80 1ojx s THR 112 Cb -0.07 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1ojx s THR 112 CO -0.11 0.41 -0.12 0.27 -0.69 0.00 0.00 174.62 174.38 1ojx s ILE 113 N 0.12 3.20 -0.66 1.82 -4.36 -0.58 -4.85 121.20 115.90 1ojx s ILE 113 Ca 0.22 -1.43 0.05 0.00 -0.26 0.00 0.00 60.65 59.24 1ojx s ILE 113 Cb -0.15 -2.52 0.18 0.00 1.25 0.00 0.00 42.46 41.23 1ojx s ILE 113 CO 0.09 0.05 0.51 -1.22 0.24 0.00 0.00 174.94 174.61 1ojx n TYR 114 N 0.54 2.77 -1.67 1.37 4.01 -1.26 -1.91 117.16 121.00 1ojx n TYR 114 Ca -0.13 -4.17 -0.44 0.00 -0.16 0.00 0.00 57.90 53.00 1ojx n TYR 114 Cb 0.53 -0.51 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 1ojx n TYR 114 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1ojx n PRO 115 N 1.91 1.98 0.00 -0.72 -0.02 -1.26 -1.99 135.00 134.91 1ojx n PRO 115 Ca 0.22 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1ojx n PRO 115 Cb 0.38 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1ojx n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ojx n GLY 116 N 1.43 3.13 3.73 -1.23 0.00 -1.26 -1.40 105.19 109.60 1ojx n GLY 116 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 1ojx n GLY 116 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ojx n SER 117 N 0.05 2.55 -0.06 1.61 2.88 -0.84 -2.37 113.62 117.45 1ojx n SER 117 Ca 0.00 0.97 0.25 0.00 -1.33 0.00 0.00 58.87 58.76 1ojx n SER 117 Cb 0.00 -1.56 0.70 0.00 -0.75 0.00 0.00 64.21 62.60 1ojx n SER 117 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1ojx h GLY 118 N 1.38 0.00 -3.46 0.46 0.00 -1.87 -0.24 103.07 99.33 1ojx h GLY 118 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1ojx h GLY 118 CO 0.57 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.80 1ojx n PHE 119 N -3.84 2.03 -0.20 5.60 0.99 -1.26 -4.63 117.46 116.14 1ojx n PHE 119 Ca 0.14 -0.73 0.10 0.00 -0.00 0.00 0.00 57.45 56.96 1ojx n PHE 119 Cb 0.89 -0.50 0.40 0.00 -1.00 0.00 0.00 39.48 39.27 1ojx n PHE 119 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 1ojx h GLU 120 N 3.92 0.63 -0.84 -1.08 4.11 -1.29 -1.13 114.58 118.92 1ojx h GLU 120 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1ojx h GLU 120 Cb 1.95 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 31.02 1ojx h GLU 120 CO 0.48 0.42 0.54 0.11 0.07 0.00 0.00 179.01 180.63 1ojx h TRP 121 N 0.65 1.06 -0.36 2.06 5.08 -1.83 -1.46 115.95 121.16 1ojx h TRP 121 Ca 0.37 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 60.34 1ojx h TRP 121 Cb 0.54 -0.36 -0.02 0.00 -3.00 0.00 0.00 29.16 26.33 1ojx h TRP 121 CO -0.00 0.68 0.17 -0.22 -1.28 0.00 0.00 178.44 177.79 1ojx h LYS 122 N 1.14 0.53 -0.16 0.12 3.64 -1.56 -1.11 116.57 119.17 1ojx h LYS 122 Ca 0.30 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 59.45 1ojx h LYS 122 Cb -0.11 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1ojx h LYS 122 CO -0.06 0.49 -0.53 0.52 -2.27 0.00 0.00 179.45 177.60 1ojx h MET 123 N 0.45 0.46 -0.36 1.90 2.86 -1.30 -2.30 114.93 116.63 1ojx h MET 123 Ca 0.12 -0.28 -0.14 0.00 -2.06 0.00 0.00 59.70 57.35 1ojx h MET 123 Cb 0.14 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1ojx h MET 123 CO -0.01 0.87 -0.33 0.74 1.06 0.00 0.00 176.91 179.24 1ojx h PHE 124 N 0.36 0.94 -0.54 -0.22 0.04 -1.15 0.16 116.94 116.52 1ojx h PHE 124 Ca 0.01 -0.25 0.00 0.00 2.80 0.00 0.00 57.97 60.53 1ojx h PHE 124 Cb 1.04 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.96 1ojx h PHE 124 CO 0.04 1.02 0.34 1.49 -0.60 0.00 0.00 178.31 180.59 1ojx h GLU 125 N 0.67 0.73 -0.11 1.51 4.81 -1.13 -1.89 114.58 119.17 1ojx h GLU 125 Ca 0.07 -0.06 -0.23 0.00 -0.13 0.00 0.00 59.36 59.01 1ojx h GLU 125 Cb 0.87 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 30.11 1ojx h GLU 125 CO 0.08 0.51 -0.85 1.49 -0.73 0.00 0.00 179.01 179.51 1ojx h GLU 126 N 0.73 0.74 -0.57 1.92 4.81 -1.27 -3.12 114.58 117.83 1ojx h GLU 126 Ca 0.20 -0.65 0.03 0.00 -0.13 0.00 0.00 59.36 58.81 1ojx h GLU 126 Cb -0.04 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1ojx h GLU 126 CO -0.04 1.25 0.37 1.25 -0.73 0.00 0.00 179.01 181.12 1ojx h LEU 127 N 0.48 0.56 -0.46 1.64 5.85 -0.86 -1.80 115.31 120.72 1ojx h LEU 127 Ca -0.07 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.71 1ojx h LEU 127 Cb 1.48 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 42.33 1ojx h LEU 127 CO 0.17 0.39 0.14 0.00 -0.34 0.00 0.00 178.44 178.79 1ojx h ALA 128 N 1.67 0.53 -0.44 1.25 0.00 -1.28 0.21 119.26 121.22 1ojx h ALA 128 Ca 0.23 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1ojx h ALA 128 Cb 0.10 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ojx h ALA 128 CO -0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 179.25 178.88 1ojx h ARG 129 N 0.29 0.80 -0.50 0.00 3.08 -1.41 -2.29 114.38 114.36 1ojx h ARG 129 Ca 0.22 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1ojx h ARG 129 Cb 0.24 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1ojx h ARG 129 CO -0.25 0.89 0.11 0.82 -1.07 0.00 0.00 179.97 180.47 1ojx h ILE 130 N 0.63 1.24 -0.23 2.04 2.04 -1.08 -1.90 117.51 120.25 1ojx h ILE 130 Ca 0.12 -0.87 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1ojx h ILE 130 Cb 0.56 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1ojx h ILE 130 CO 0.03 0.31 0.11 0.50 0.00 0.00 0.00 178.15 179.10 1ojx h LYS 131 N 0.69 0.23 -0.77 2.37 1.63 -0.57 0.16 116.57 120.31 1ojx h LYS 131 Ca 0.15 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.00 1ojx h LYS 131 Cb 0.35 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.87 1ojx h LYS 131 CO 0.00 0.15 0.46 -0.09 -3.45 0.00 0.00 179.45 176.52 1ojx h ARG 132 N 0.23 0.81 -0.28 1.90 2.43 -1.32 -1.79 114.38 116.37 1ojx h ARG 132 Ca 0.10 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.08 1ojx h ARG 132 Cb 0.03 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1ojx h ARG 132 CO -0.07 0.54 -0.38 -0.44 -1.51 0.00 0.00 179.97 178.11 1ojx h ASP 133 N 0.84 0.68 -0.59 -3.80 3.32 -0.96 -2.03 116.42 113.87 1ojx h ASP 133 Ca 0.34 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1ojx h ASP 133 Cb 0.18 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 1ojx h ASP 133 CO -0.18 0.99 0.39 0.00 -1.72 0.00 0.00 179.24 178.72 1ojx h ALA 134 N 1.04 0.76 -0.27 3.45 0.00 -0.17 0.03 119.26 124.10 1ojx h ALA 134 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ojx h ALA 134 Cb 0.89 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ojx h ALA 134 CO 0.08 0.17 0.17 0.28 0.00 0.00 0.00 179.25 179.94 1ojx h VAL 135 N 0.79 1.09 -0.65 0.00 2.07 -1.24 -0.66 116.25 117.64 1ojx h VAL 135 Ca 0.22 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.56 1ojx h VAL 135 Cb -0.07 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1ojx h VAL 135 CO -0.06 0.09 0.42 0.50 0.02 0.00 0.00 177.57 178.54 1ojx h LYS 136 N 0.34 0.83 -0.10 1.57 3.64 -0.74 -2.52 116.57 119.59 1ojx h LYS 136 Ca 0.10 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1ojx h LYS 136 Cb -0.00 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1ojx h LYS 136 CO -0.02 0.55 0.00 1.19 -2.27 0.00 0.00 179.45 178.90 1ojx n PHE 137 N -4.65 0.11 -3.83 1.91 3.72 -0.06 -4.97 117.46 109.69 1ojx n PHE 137 Ca 0.06 -0.06 -0.28 0.00 -0.05 0.00 0.00 57.45 57.12 1ojx n PHE 137 Cb 0.04 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.62 1ojx n PHE 137 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1ojx n ASP 138 N 0.43 -4.67 -4.52 4.37 2.03 -0.38 -5.01 116.55 108.79 1ojx n ASP 138 Ca 0.17 -0.74 -0.34 0.00 0.52 0.00 0.00 54.79 54.40 1ojx n ASP 138 Cb 0.39 -4.13 -0.12 0.00 -0.72 0.00 0.00 41.12 36.54 1ojx n ASP 138 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ojx s LEU 139 N -7.21 3.40 0.40 -2.67 1.02 -0.44 -5.03 118.68 108.15 1ojx s LEU 139 Ca 0.57 -0.09 -0.26 0.00 0.02 0.00 0.00 54.13 54.36 1ojx s LEU 139 Cb -0.28 -1.84 -0.10 0.00 0.02 0.00 0.00 46.19 43.98 1ojx s LEU 139 CO 0.81 0.14 1.32 -2.65 0.02 0.00 0.00 176.35 175.99 1ojx n PRO 140 N 3.72 2.12 -3.70 1.29 -0.02 -1.26 -4.49 135.00 132.66 1ojx n PRO 140 Ca -0.17 0.75 -0.37 0.00 -2.02 0.00 0.00 63.50 61.69 1ojx n PRO 140 Cb 0.52 -2.43 -0.12 0.00 -0.02 0.00 0.00 33.50 31.45 1ojx n PRO 140 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1ojx s LEU 141 N -1.66 3.72 -0.24 2.45 2.96 -1.26 -1.21 118.68 123.45 1ojx s LEU 141 Ca 0.58 -0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 54.34 1ojx s LEU 141 Cb -0.51 -2.01 -0.02 0.00 0.50 0.00 0.00 46.19 44.14 1ojx s LEU 141 CO 0.60 -0.02 0.03 -0.69 -1.32 0.00 0.00 176.35 174.95 1ojx s VAL 142 N 1.58 3.98 -0.23 1.68 1.01 0.50 -1.02 120.40 127.91 1ojx s VAL 142 Ca 0.06 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 1ojx s VAL 142 Cb -0.15 -2.85 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1ojx s VAL 142 CO 0.07 0.37 0.08 -0.69 0.00 0.00 0.00 175.10 174.93 1ojx s VAL 143 N 1.57 4.62 -0.43 2.92 1.01 -0.64 -1.93 120.40 127.52 1ojx s VAL 143 Ca 0.06 -0.08 -0.25 0.00 0.00 0.00 0.00 61.98 61.71 1ojx s VAL 143 Cb -0.15 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1ojx s VAL 143 CO 0.01 0.37 0.92 0.26 0.00 0.00 0.00 175.10 176.66 1ojx s TRP 144 N 1.20 2.98 -0.41 5.22 0.23 -0.66 -0.86 118.94 126.64 1ojx s TRP 144 Ca 0.05 0.52 -0.06 0.00 -2.03 0.00 0.00 56.10 54.58 1ojx s TRP 144 Cb -0.14 -3.84 0.10 0.00 0.03 0.00 0.00 33.47 29.61 1ojx s TRP 144 CO 0.04 -0.99 0.23 0.45 0.96 0.00 0.00 176.95 177.64 1ojx s SER 145 N 2.12 5.45 -0.57 2.95 0.15 -0.53 -1.52 113.70 121.75 1ojx s SER 145 Ca 0.37 -1.75 0.04 0.00 0.70 0.00 0.00 55.95 55.31 1ojx s SER 145 Cb -0.11 -1.91 0.15 0.00 -1.71 0.00 0.00 66.02 62.44 1ojx s SER 145 CO 0.23 -0.55 0.36 -0.31 1.20 0.00 0.00 173.24 174.18 1ojx s TYR 146 N 1.30 2.93 0.12 3.44 2.02 -0.81 -4.64 117.35 121.72 1ojx s TYR 146 Ca 0.05 -3.03 -0.35 0.00 -0.37 0.00 0.00 57.07 53.36 1ojx s TYR 146 Cb -0.23 -2.43 -0.16 0.00 -0.40 0.00 0.00 41.96 38.74 1ojx s TYR 146 CO -0.01 -0.68 1.42 -2.30 -1.57 0.00 0.00 175.55 172.41 1ojx n PRO 147 N 2.69 1.54 -3.63 -1.71 -0.02 -1.26 -4.10 135.00 128.51 1ojx n PRO 147 Ca 0.14 0.55 -0.09 0.00 -2.02 0.00 0.00 63.50 62.08 1ojx n PRO 147 Cb 0.35 -2.23 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 1ojx n PRO 147 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1ojx s ARG 148 N 0.55 0.50 0.36 -0.52 3.52 -0.49 -4.87 118.95 118.01 1ojx s ARG 148 Ca 0.81 0.51 0.00 0.00 -0.13 0.00 0.00 55.73 56.92 1ojx s ARG 148 Cb -0.84 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 32.80 1ojx s ARG 148 CO 0.44 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 175.26 1ojx n GLY 149 N 1.96 -2.43 7.00 8.12 0.00 -1.26 -2.08 105.19 116.50 1ojx n GLY 149 Ca -0.12 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1ojx n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ojx n GLY 150 N -0.33 2.81 0.32 -0.02 0.00 -1.00 -1.68 105.19 105.29 1ojx n GLY 150 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 46.02 45.99 1ojx n GLY 150 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ojx n LYS 151 N 14.00 1.41 -2.50 1.61 5.02 -1.26 -4.83 118.16 131.60 1ojx n LYS 151 Ca 0.00 -0.63 -0.43 0.00 -2.02 0.00 0.00 58.31 55.23 1ojx n LYS 151 Cb 0.00 -1.16 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 1ojx n LYS 151 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ojx s VAL 152 N -1.78 4.31 -0.17 -0.18 1.01 -0.67 -4.88 120.40 118.04 1ojx s VAL 152 Ca 0.14 1.52 -0.00 0.00 0.00 0.00 0.00 61.98 63.64 1ojx s VAL 152 Cb 0.07 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 32.13 1ojx s VAL 152 CO 0.10 -0.39 -0.17 1.33 0.00 0.00 0.00 175.10 175.97 1ojx n VAL 153 N 5.89 0.98 -3.94 2.92 0.24 -1.26 -4.60 118.33 118.56 1ojx n VAL 153 Ca 0.14 -0.36 -0.31 0.00 -2.04 0.00 0.00 64.34 61.77 1ojx n VAL 153 Cb 0.46 -1.21 -0.15 0.00 -1.47 0.00 0.00 33.84 31.47 1ojx n VAL 153 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1ojx s ASN 154 N -5.82 4.12 0.52 -1.34 2.47 -1.26 -5.02 114.94 108.60 1ojx s ASN 154 Ca -0.23 -1.46 0.29 0.00 0.42 0.00 0.00 52.86 51.87 1ojx s ASN 154 Cb 0.07 -1.26 1.38 0.00 -1.45 0.00 0.00 41.25 39.99 1ojx s ASN 154 CO 0.38 -0.29 2.02 -0.33 -3.72 0.00 0.00 177.10 175.17 1ojx h GLU 155 N 7.89 0.00 -0.57 0.43 5.08 -1.92 -2.75 114.58 122.74 1ojx h GLU 155 Ca -0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1ojx h GLU 155 Cb 1.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 1ojx h GLU 155 CO 0.45 0.12 0.00 0.25 -1.00 0.00 0.00 179.01 178.83 1ojx n THR 156 N -3.47 1.44 -1.85 1.13 -2.24 -1.26 -4.37 114.28 103.65 1ojx n THR 156 Ca -0.01 -1.16 -0.40 0.00 -2.27 0.00 0.00 64.05 60.21 1ojx n THR 156 Cb 0.28 0.29 0.01 0.00 -2.10 0.00 0.00 70.33 68.81 1ojx n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ojx s ALA 157 N -1.49 3.35 0.23 6.98 0.00 -1.04 -4.52 121.76 125.28 1ojx s ALA 157 Ca 0.43 1.45 -0.06 0.00 0.00 0.00 0.00 51.96 53.79 1ojx s ALA 157 Cb 0.26 -3.57 0.40 0.00 0.00 0.00 0.00 23.12 20.21 1ojx s ALA 157 CO 0.24 -1.07 1.74 -1.35 0.00 0.00 0.00 175.76 175.31 1ojx h PRO 158 N 2.62 0.43 0.00 0.00 0.11 -1.91 -1.37 132.00 131.88 1ojx h PRO 158 Ca -0.51 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.49 1ojx h PRO 158 Cb 1.25 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1ojx h PRO 158 CO 0.62 0.29 -0.41 1.05 -0.21 0.00 0.00 178.00 179.34 1ojx h GLU 159 N 0.44 0.00 -0.08 1.05 9.09 -1.95 -2.10 114.58 121.04 1ojx h GLU 159 Ca 0.38 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.64 1ojx h GLU 159 Cb 0.54 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.65 1ojx h GLU 159 CO -0.37 0.41 -0.54 0.82 0.05 0.00 0.00 179.01 179.37 1ojx h ILE 160 N 0.00 1.38 -0.44 -1.06 1.08 -1.59 -2.12 117.51 114.76 1ojx h ILE 160 Ca -0.00 -1.89 -0.10 0.00 -0.39 0.00 0.00 64.86 62.47 1ojx h ILE 160 Cb 0.79 2.28 -0.02 0.00 -3.07 0.00 0.00 36.82 36.81 1ojx h ILE 160 CO 0.05 0.56 -0.14 0.58 -0.69 0.00 0.00 178.15 178.52 1ojx h VAL 161 N 0.08 1.26 -0.51 1.67 2.07 -1.36 -0.34 116.25 119.12 1ojx h VAL 161 Ca -0.05 -1.24 -0.09 0.00 0.82 0.00 0.00 66.70 66.15 1ojx h VAL 161 Cb 1.20 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 1ojx h VAL 161 CO 0.11 0.42 -0.03 0.00 0.02 0.00 0.00 177.57 178.09 1ojx h ALA 162 N 1.10 0.98 -0.40 1.67 0.00 -1.41 -1.94 119.26 119.24 1ojx h ALA 162 Ca 0.12 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1ojx h ALA 162 Cb 0.65 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1ojx h ALA 162 CO 0.05 0.62 0.08 -0.92 0.00 0.00 0.00 179.25 179.08 1ojx h TYR 163 N 0.82 0.69 -0.72 0.00 -0.00 -1.13 -2.05 116.97 114.57 1ojx h TYR 163 Ca 0.15 -0.09 0.09 0.00 -0.00 0.00 0.00 58.73 58.88 1ojx h TYR 163 Cb 0.53 -0.19 -0.07 0.00 -0.00 0.00 0.00 36.73 37.00 1ojx h TYR 163 CO 0.03 0.67 0.38 0.00 -0.00 0.00 0.00 178.16 179.24 1ojx h ALA 164 N 0.94 1.00 -0.42 1.82 0.00 -0.80 -1.27 119.26 120.54 1ojx h ALA 164 Ca 0.12 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1ojx h ALA 164 Cb 0.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ojx h ALA 164 CO 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 179.25 179.22 1ojx h ALA 165 N 1.42 0.57 -0.13 0.00 0.00 -1.18 -2.84 119.26 117.10 1ojx h ALA 165 Ca 0.35 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1ojx h ALA 165 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ojx h ALA 165 CO -0.25 0.38 -0.59 -0.09 0.00 0.00 0.00 179.25 178.69 1ojx h ARG 166 N 0.58 0.44 -0.69 0.00 9.65 -1.01 -2.83 114.38 120.53 1ojx h ARG 166 Ca 0.12 -0.30 -0.05 0.00 -1.10 0.00 0.00 59.98 58.65 1ojx h ARG 166 Cb 0.52 0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.12 1ojx h ARG 166 CO 0.03 0.91 0.24 0.82 2.80 0.00 0.00 179.97 184.77 1ojx h ILE 167 N 0.33 1.25 -0.31 1.20 2.04 -1.18 -1.24 117.51 119.60 1ojx h ILE 167 Ca -0.00 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1ojx h ILE 167 Cb 1.13 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1ojx h ILE 167 CO 0.10 0.32 0.20 0.00 0.00 0.00 0.00 178.15 178.78 1ojx h ALA 168 N 1.11 0.39 -0.39 1.87 0.00 -1.37 -1.37 119.26 119.50 1ojx h ALA 168 Ca 0.23 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1ojx h ALA 168 Cb 0.26 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1ojx h ALA 168 CO -0.01 -0.14 0.11 1.25 0.00 0.00 0.00 179.25 180.46 1ojx h LEU 169 N 0.41 0.07 -1.14 0.00 5.85 -1.31 -1.42 115.31 117.77 1ojx h LEU 169 Ca 0.11 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 1ojx h LEU 169 Cb -0.04 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1ojx h LEU 169 CO -0.02 0.08 -0.12 -0.33 -0.34 0.00 0.00 178.44 177.70 1ojx h GLU 170 N 0.25 0.46 -0.00 1.25 4.39 -0.80 -2.95 114.58 117.17 1ojx h GLU 170 Ca 0.19 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1ojx h GLU 170 Cb 0.20 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1ojx h GLU 170 CO -0.22 0.58 -0.25 1.28 -1.16 0.00 0.00 179.01 179.24 1ojx n LEU 171 N -4.21 0.57 0.00 1.33 4.77 -0.55 -4.94 117.00 113.96 1ojx n LEU 171 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ojx n LEU 171 Cb 0.31 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1ojx n LEU 171 CO 0.40 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1ojx n GLY 172 N 1.39 1.32 3.67 -0.72 0.00 -1.11 -4.99 105.19 104.75 1ojx n GLY 172 Ca 0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.69 1ojx n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ojx n ALA 173 N -1.03 0.96 0.04 4.61 0.00 -0.55 -4.90 120.51 119.64 1ojx n ALA 173 Ca 0.00 0.37 0.08 0.00 0.00 0.00 0.00 53.44 53.89 1ojx n ALA 173 Cb 0.00 -2.21 -0.09 0.00 0.00 0.00 0.00 19.45 17.16 1ojx n ALA 173 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ojx n ASP 174 N 1.01 0.49 -3.68 0.00 8.00 -0.19 -4.77 116.55 117.41 1ojx n ASP 174 Ca 0.06 0.20 -0.10 0.00 0.71 0.00 0.00 54.79 55.66 1ojx n ASP 174 Cb 0.35 0.98 -0.05 0.00 -0.02 0.00 0.00 41.12 42.38 1ojx n ASP 174 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ojx s ALA 175 N -3.28 -0.78 0.07 2.24 0.00 -1.12 -4.38 121.76 114.50 1ojx s ALA 175 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.75 1ojx s ALA 175 Cb 0.11 0.66 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1ojx s ALA 175 CO 0.84 -0.62 -0.05 0.00 0.00 0.00 0.00 175.76 175.93 1ojx s MET 176 N -3.82 0.68 -0.10 0.00 0.23 -0.74 -1.63 119.30 113.93 1ojx s MET 176 Ca 0.04 -1.20 0.01 0.00 -1.03 0.00 0.00 55.69 53.50 1ojx s MET 176 Cb 0.02 -0.01 0.02 0.00 -1.53 0.00 0.00 34.83 33.34 1ojx s MET 176 CO -0.12 -0.06 -0.10 0.21 -2.03 0.00 0.00 175.02 172.93 1ojx s LYS 177 N -3.58 1.66 0.09 3.16 2.20 -0.04 -1.02 119.74 122.20 1ojx s LYS 177 Ca 0.07 -0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.34 1ojx s LYS 177 Cb 0.05 -1.55 -0.04 0.00 -1.51 0.00 0.00 37.83 34.78 1ojx s LYS 177 CO -0.07 -0.14 -0.05 0.96 -0.36 0.00 0.00 175.35 175.70 1ojx s ILE 178 N 1.25 0.53 0.47 5.43 -4.36 -0.90 -1.45 121.20 122.17 1ojx s ILE 178 Ca -0.03 -1.90 -0.22 0.00 -0.26 0.00 0.00 60.65 58.24 1ojx s ILE 178 Cb -0.14 -1.66 -0.08 0.00 1.25 0.00 0.00 42.46 41.83 1ojx s ILE 178 CO -0.03 -0.89 1.09 -0.54 0.24 0.00 0.00 174.94 174.81 1ojx s LYS 179 N -3.87 3.79 0.36 0.37 1.02 -1.26 -1.11 119.74 119.03 1ojx s LYS 179 Ca 0.11 1.55 -0.25 0.00 0.02 0.00 0.00 55.97 57.40 1ojx s LYS 179 Cb 0.06 -2.26 -0.10 0.00 -0.52 0.00 0.00 37.83 35.02 1ojx s LYS 179 CO -0.06 -0.48 0.99 -0.47 -0.92 0.00 0.00 175.35 174.41 1ojx s TYR 180 N -1.76 3.51 -0.34 3.18 5.04 -1.26 -4.89 117.35 120.83 1ojx s TYR 180 Ca 0.65 1.72 0.22 0.00 -2.44 0.00 0.00 57.07 57.22 1ojx s TYR 180 Cb -0.22 -3.00 0.19 0.00 0.35 0.00 0.00 41.96 39.28 1ojx s TYR 180 CO 0.27 -0.14 1.38 1.79 -1.34 0.00 0.00 175.55 177.51 1ojx h THR 181 N 2.43 0.07 0.00 4.34 1.35 -1.95 -3.46 112.91 115.69 1ojx h THR 181 Ca -0.47 -1.11 0.00 0.00 -0.55 0.00 0.00 66.41 64.27 1ojx h THR 181 Cb 1.20 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 1ojx h THR 181 CO 0.64 0.04 0.00 0.61 -0.25 0.00 0.00 175.52 176.56 1ojx n GLY 182 N 1.15 0.48 3.29 5.82 0.00 -1.26 -4.92 105.19 109.75 1ojx n GLY 182 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1ojx n GLY 182 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1ojx s ASP 183 N -2.00 -0.33 0.45 1.61 -4.77 -1.26 -5.07 116.67 105.30 1ojx s ASP 183 Ca 0.00 0.43 0.21 0.00 -3.30 0.00 0.00 52.55 49.89 1ojx s ASP 183 Cb 0.00 0.53 1.07 0.00 -1.09 0.00 0.00 42.92 43.43 1ojx s ASP 183 CO 0.00 -0.34 1.93 1.55 0.70 0.00 0.00 175.17 179.01 1ojx h PRO 184 N 4.42 0.00 -0.05 2.11 0.13 -1.98 -2.57 132.00 134.06 1ojx h PRO 184 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1ojx h PRO 184 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ojx h PRO 184 CO 0.34 0.23 -0.01 -0.22 -0.23 0.00 0.00 178.00 178.12 1ojx h LYS 185 N 0.00 0.09 -0.04 0.86 3.64 -1.97 -1.34 116.57 117.80 1ojx h LYS 185 Ca -0.00 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 1ojx h LYS 185 Cb 0.54 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1ojx h LYS 185 CO 0.03 0.43 -0.67 1.79 -2.27 0.00 0.00 179.45 178.76 1ojx h THR 186 N -0.26 1.42 -0.01 1.00 1.35 -1.99 -3.01 112.91 111.41 1ojx h THR 186 Ca 0.01 -2.15 -0.11 0.00 -0.55 0.00 0.00 66.41 63.60 1ojx h THR 186 Cb 0.40 2.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.93 1ojx h THR 186 CO 0.00 0.63 -0.54 0.15 -0.25 0.00 0.00 175.52 175.52 1ojx h PHE 187 N 0.13 0.04 0.00 4.73 3.57 -1.49 -3.04 116.94 120.88 1ojx h PHE 187 Ca -0.01 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.42 1ojx h PHE 187 Cb 1.19 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1ojx h PHE 187 CO 0.02 0.56 -0.28 0.66 -2.23 0.00 0.00 178.31 177.04 1ojx h SER 188 N 0.02 0.00 -0.45 0.41 4.64 -1.10 -1.56 113.55 115.51 1ojx h SER 188 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1ojx h SER 188 Cb 0.96 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.03 1ojx h SER 188 CO 0.07 0.28 -0.01 -0.25 -0.87 0.00 0.00 176.83 176.04 1ojx h TRP 189 N 0.00 0.89 -0.80 4.77 2.91 -1.51 -0.94 115.95 121.26 1ojx h TRP 189 Ca -0.00 -0.16 0.01 0.00 1.13 0.00 0.00 58.89 59.87 1ojx h TRP 189 Cb 0.51 -0.23 -0.04 0.00 -0.51 0.00 0.00 29.16 28.89 1ojx h TRP 189 CO 0.00 0.86 0.53 0.00 -1.03 0.00 0.00 178.44 178.80 1ojx h ALA 190 N 0.91 1.03 -0.64 2.65 0.00 -1.41 -1.28 119.26 120.51 1ojx h ALA 190 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ojx h ALA 190 Cb 0.52 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1ojx h ALA 190 CO 0.03 0.40 0.19 0.28 0.00 0.00 0.00 179.25 180.15 1ojx h VAL 191 N 1.07 1.24 -0.35 0.00 2.07 -1.19 -2.43 116.25 116.65 1ojx h VAL 191 Ca 0.30 -0.83 -0.07 0.00 0.82 0.00 0.00 66.70 66.92 1ojx h VAL 191 Cb -0.09 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1ojx h VAL 191 CO -0.08 0.32 -0.05 0.50 0.02 0.00 0.00 177.57 178.29 1ojx h LYS 192 N 0.94 0.66 0.00 1.57 3.64 -0.60 -3.03 116.57 119.74 1ojx h LYS 192 Ca 0.21 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1ojx h LYS 192 Cb 0.28 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1ojx h LYS 192 CO -0.01 0.80 0.00 -0.39 -2.27 0.00 0.00 179.45 177.58 1ojx h VAL 193 N 0.46 0.00 0.00 2.00 -1.51 -1.10 -2.08 116.25 114.02 1ojx h VAL 193 Ca 0.09 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1ojx h VAL 193 Cb 0.53 1.42 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1ojx h VAL 193 CO 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.37 1ojx n ALA 194 N -1.90 1.97 -0.81 5.19 0.00 -0.93 -4.64 120.51 119.39 1ojx n ALA 194 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ojx n ALA 194 Cb 0.36 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1ojx n ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ojx n GLY 195 N 0.66 3.16 0.00 0.00 0.00 -0.78 -1.95 105.19 106.27 1ojx n GLY 195 Ca 0.04 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 46.00 1ojx n GLY 195 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ojx n LYS 196 N 13.61 0.28 -3.32 1.61 5.02 -1.26 -4.75 118.16 129.35 1ojx n LYS 196 Ca 0.00 0.08 -0.39 0.00 -2.02 0.00 0.00 58.31 55.98 1ojx n LYS 196 Cb 0.00 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.44 1ojx n LYS 196 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ojx s VAL 197 N -2.63 5.15 0.44 -0.18 1.01 -0.82 -5.05 120.40 118.31 1ojx s VAL 197 Ca 0.20 0.79 -0.24 0.00 0.00 0.00 0.00 61.98 62.73 1ojx s VAL 197 Cb 0.15 -3.78 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 1ojx s VAL 197 CO 0.36 0.19 1.19 -2.16 0.00 0.00 0.00 175.10 174.68 1ojx s PRO 198 N 1.68 3.84 -0.15 2.72 0.04 -1.26 -4.83 135.00 137.04 1ojx s PRO 198 Ca 0.20 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 63.08 1ojx s PRO 198 Cb -0.15 -2.53 -0.02 0.00 0.04 0.00 0.00 34.50 31.84 1ojx s PRO 198 CO 0.09 -0.51 -0.07 0.08 0.04 0.00 0.00 177.00 176.64 1ojx s VAL 199 N -1.46 3.62 -0.10 -0.36 1.01 -1.26 -1.79 120.40 120.07 1ojx s VAL 199 Ca 0.61 -0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 1ojx s VAL 199 Cb -0.31 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.47 1ojx s VAL 199 CO 0.38 0.50 -0.05 -0.76 0.00 0.00 0.00 175.10 175.18 1ojx s LEU 200 N 0.37 3.26 0.20 3.92 1.43 -0.19 -1.01 118.68 126.66 1ojx s LEU 200 Ca -0.06 -0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.71 1ojx s LEU 200 Cb -0.15 -1.74 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 1ojx s LEU 200 CO 0.04 0.31 1.13 -0.32 0.23 0.00 0.00 176.35 177.74 1ojx s MET 201 N -0.48 4.57 0.21 1.70 -2.45 -0.17 -2.12 119.30 120.55 1ojx s MET 201 Ca 0.07 1.79 -0.30 0.00 -1.25 0.00 0.00 55.69 56.00 1ojx s MET 201 Cb -0.12 -3.25 -0.08 0.00 1.25 0.00 0.00 34.83 32.63 1ojx s MET 201 CO 0.02 0.04 1.11 0.45 1.05 0.00 0.00 175.02 177.69 1ojx s SER 202 N -0.16 7.25 0.04 1.11 0.15 -0.27 -0.79 113.70 121.03 1ojx s SER 202 Ca 0.50 2.16 -0.28 0.00 0.70 0.00 0.00 55.95 59.02 1ojx s SER 202 Cb -0.31 -2.61 -0.16 0.00 -1.71 0.00 0.00 66.02 61.23 1ojx s SER 202 CO 0.37 -0.21 1.34 1.23 1.20 0.00 0.00 173.24 177.16 1ojx h GLY 203 N 4.75 -1.07 0.00 9.45 0.00 -1.65 -3.43 103.07 111.13 1ojx h GLY 203 Ca -0.45 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1ojx h GLY 203 CO 0.71 -0.39 0.00 0.61 0.00 0.00 0.00 176.54 177.47 1ojx n GLY 204 N -1.26 -0.07 3.71 4.60 0.00 -1.26 -4.97 105.19 105.94 1ojx n GLY 204 Ca -0.13 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 1ojx n GLY 204 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ojx n PRO 205 N -0.15 1.07 -1.68 1.61 -0.02 -1.26 -4.47 135.00 130.10 1ojx n PRO 205 Ca 0.00 0.42 -0.46 0.00 -2.02 0.00 0.00 63.50 61.44 1ojx n PRO 205 Cb 0.00 -2.49 -0.04 0.00 -0.02 0.00 0.00 33.50 30.95 1ojx n PRO 205 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1ojx n LYS 206 N -1.81 2.31 -1.69 -0.52 4.81 -1.26 -4.84 118.16 115.14 1ojx n LYS 206 Ca 0.16 0.84 -0.31 0.00 -0.87 0.00 0.00 58.31 58.13 1ojx n LYS 206 Cb 0.48 -2.65 0.04 0.00 0.02 0.00 0.00 35.03 32.92 1ojx n LYS 206 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1ojx s THR 207 N 2.06 4.08 0.09 3.15 -4.23 -1.26 -4.98 115.64 114.55 1ojx s THR 207 Ca 0.83 0.68 -0.22 0.00 -1.18 0.00 0.00 61.69 61.79 1ojx s THR 207 Cb -0.64 -3.52 -0.12 0.00 1.34 0.00 0.00 72.50 69.56 1ojx s THR 207 CO 0.41 -0.88 1.72 0.11 -0.54 0.00 0.00 174.62 175.44 1ojx h LYS 208 N -0.63 0.10 -6.26 3.99 1.57 -1.99 -3.43 116.57 109.91 1ojx h LYS 208 Ca -0.44 -0.01 -0.62 0.00 -1.87 0.00 0.00 60.65 57.71 1ojx h LYS 208 Cb 1.21 -0.02 -0.15 0.00 0.08 0.00 0.00 32.23 33.36 1ojx h LYS 208 CO 0.59 0.10 -0.77 0.95 -0.57 0.00 0.00 179.45 179.76 1ojx s THR 209 N -6.04 2.45 0.31 -0.16 -4.23 -1.26 -5.04 115.64 101.68 1ojx s THR 209 Ca -0.13 -2.35 0.00 0.00 -1.18 0.00 0.00 61.69 58.03 1ojx s THR 209 Cb 0.07 -2.27 0.21 0.00 1.34 0.00 0.00 72.50 71.84 1ojx s THR 209 CO 0.67 -0.36 1.91 -0.33 -0.54 0.00 0.00 174.62 175.98 1ojx h GLU 210 N 2.41 0.83 -0.94 3.99 5.08 -2.01 -2.78 114.58 121.18 1ojx h GLU 210 Ca -0.41 -0.11 0.08 0.00 -1.00 0.00 0.00 59.36 57.93 1ojx h GLU 210 Cb 1.25 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 30.28 1ojx h GLU 210 CO 0.58 0.65 0.60 1.49 -1.00 0.00 0.00 179.01 181.34 1ojx h GLU 211 N 0.83 0.98 -0.36 2.33 4.81 -1.98 -1.71 114.58 119.47 1ojx h GLU 211 Ca 0.20 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 1ojx h GLU 211 Cb 0.10 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1ojx h GLU 211 CO -0.03 0.65 0.23 -0.44 -0.73 0.00 0.00 179.01 178.69 1ojx h ASP 212 N 1.00 0.40 -0.62 1.04 3.32 -1.91 -1.23 116.42 118.42 1ojx h ASP 212 Ca 0.42 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.39 1ojx h ASP 212 Cb 0.31 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1ojx h ASP 212 CO -0.18 0.29 0.06 0.15 -1.72 0.00 0.00 179.24 177.84 1ojx h PHE 213 N 0.47 1.12 -0.36 4.55 3.57 -1.43 -2.74 116.94 122.14 1ojx h PHE 213 Ca 0.14 -0.17 -0.12 0.00 3.53 0.00 0.00 57.97 61.35 1ojx h PHE 213 Cb -0.04 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.38 1ojx h PHE 213 CO -0.06 0.97 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.67 1ojx h LEU 214 N 0.95 0.73 -0.93 0.59 3.38 -1.03 -1.99 115.31 117.02 1ojx h LEU 214 Ca 0.18 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1ojx h LEU 214 Cb 0.48 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1ojx h LEU 214 CO 0.02 0.96 0.37 0.50 0.09 0.00 0.00 178.44 180.38 1ojx h LYS 215 N 0.62 1.14 -0.32 1.13 3.64 -1.21 -0.02 116.57 121.56 1ojx h LYS 215 Ca 0.08 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1ojx h LYS 215 Cb 0.75 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1ojx h LYS 215 CO 0.06 0.89 0.19 1.96 -2.27 0.00 0.00 179.45 180.27 1ojx h GLN 216 N 1.13 0.44 -0.69 1.90 4.20 -1.12 -2.01 115.11 118.96 1ojx h GLN 216 Ca 0.27 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 1ojx h GLN 216 Cb 0.13 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1ojx h GLN 216 CO -0.03 0.34 0.37 0.28 -0.67 0.00 0.00 178.83 179.12 1ojx h VAL 217 N 0.40 1.22 -0.63 -0.54 2.07 -1.08 -1.73 116.25 115.96 1ojx h VAL 217 Ca 0.11 -0.57 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1ojx h VAL 217 Cb 0.02 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 1ojx h VAL 217 CO -0.02 0.25 0.36 -0.33 0.02 0.00 0.00 177.57 177.84 1ojx h GLU 218 N 0.95 0.66 -0.65 1.57 5.08 -0.78 -1.63 114.58 119.79 1ojx h GLU 218 Ca 0.24 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1ojx h GLU 218 Cb 0.06 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1ojx h GLU 218 CO -0.04 0.44 0.08 0.78 -1.00 0.00 0.00 179.01 179.27 1ojx h GLY 219 N 0.68 1.17 0.95 -3.84 0.00 -0.98 -0.44 103.07 100.61 1ojx h GLY 219 Ca 0.27 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1ojx h GLY 219 CO -0.15 0.73 0.17 -2.08 0.00 0.00 0.00 176.54 175.21 1ojx h VAL 220 N 1.01 1.20 -0.29 4.60 2.07 -1.02 -0.27 116.25 123.55 1ojx h VAL 220 Ca 0.20 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1ojx h VAL 220 Cb 0.46 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1ojx h VAL 220 CO 0.02 0.23 0.04 -0.07 0.02 0.00 0.00 177.57 177.80 1ojx h LEU 221 N 0.55 0.47 -1.03 2.57 3.38 -1.19 -2.32 115.31 117.74 1ojx h LEU 221 Ca 0.14 -0.27 0.14 0.00 0.09 0.00 0.00 57.88 57.98 1ojx h LEU 221 Cb 0.19 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 1ojx h LEU 221 CO -0.01 0.62 0.62 -0.08 0.09 0.00 0.00 178.44 179.69 1ojx h GLU 222 N 0.30 0.88 0.00 1.13 4.81 -0.94 -1.22 114.58 119.54 1ojx h GLU 222 Ca 0.09 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1ojx h GLU 222 Cb 0.36 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1ojx h GLU 222 CO 0.01 0.59 0.00 0.00 -0.73 0.00 0.00 179.01 178.87 1ojx n ALA 223 N -2.35 1.69 0.00 2.92 0.00 -0.12 -4.89 120.51 117.75 1ojx n ALA 223 Ca 0.20 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1ojx n ALA 223 Cb 0.42 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1ojx n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ojx n GLY 224 N 0.06 1.01 3.79 0.00 0.00 -0.46 -4.43 105.19 105.15 1ojx n GLY 224 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1ojx n GLY 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ojx s ALA 225 N -2.00 2.52 0.28 4.61 0.00 -0.90 -4.92 121.76 121.36 1ojx s ALA 225 Ca 0.00 0.37 0.07 0.00 0.00 0.00 0.00 51.96 52.40 1ojx s ALA 225 Cb 0.00 -3.26 0.40 0.00 0.00 0.00 0.00 23.12 20.25 1ojx s ALA 225 CO 0.00 -1.26 1.65 1.25 0.00 0.00 0.00 175.76 177.40 1ojx h LEU 226 N -0.24 0.20 0.00 0.00 5.85 -1.40 -3.43 115.31 116.28 1ojx h LEU 226 Ca -0.46 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1ojx h LEU 226 Cb 1.23 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1ojx h LEU 226 CO 0.55 0.67 0.00 0.61 -0.34 0.00 0.00 178.44 179.92 1ojx n GLY 227 N 0.00 -0.50 3.14 3.75 0.00 -1.21 -1.52 105.19 108.85 1ojx n GLY 227 Ca -0.02 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 1ojx n GLY 227 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1ojx s ILE 228 N -3.97 0.93 -0.32 -0.61 -4.36 -0.71 -1.00 121.20 111.16 1ojx s ILE 228 Ca 0.00 -1.27 0.01 0.00 -0.26 0.00 0.00 60.65 59.13 1ojx s ILE 228 Cb 0.00 -0.96 0.08 0.00 1.25 0.00 0.00 42.46 42.83 1ojx s ILE 228 CO 0.00 -0.30 0.02 0.00 0.24 0.00 0.00 174.94 174.90 1ojx s ALA 229 N -1.41 2.83 -0.08 2.27 0.00 0.03 -1.77 121.76 123.64 1ojx s ALA 229 Ca -0.04 -2.15 0.02 0.00 0.00 0.00 0.00 51.96 49.79 1ojx s ALA 229 Cb -0.09 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 1ojx s ALA 229 CO 0.02 -1.48 -0.12 0.54 0.00 0.00 0.00 175.76 174.72 1ojx s VAL 230 N 1.07 3.25 0.00 0.00 0.11 -0.41 -1.58 120.40 122.84 1ojx s VAL 230 Ca 0.01 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 1ojx s VAL 230 Cb -0.20 -2.32 0.00 0.00 -1.53 0.00 0.00 36.38 32.33 1ojx s VAL 230 CO -0.05 0.57 0.00 0.61 -3.33 0.00 0.00 175.10 172.90 1ojx n GLY 231 N 2.66 0.56 0.36 6.54 0.00 -1.26 -1.12 105.19 112.93 1ojx n GLY 231 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.91 1ojx n GLY 231 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ojx h ARG 232 N 0.00 0.82 0.00 1.61 3.08 -1.86 -1.64 114.38 116.39 1ojx h ARG 232 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ojx h ARG 232 Cb 0.00 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.87 1ojx h ARG 232 CO 0.00 0.54 0.00 0.09 -1.07 0.00 0.00 179.97 179.53 1ojx n ASN 233 N -4.50 0.00 -0.03 7.04 3.02 -1.26 -1.76 115.26 117.77 1ojx n ASN 233 Ca 0.13 0.31 -0.04 0.00 -0.03 0.00 0.00 54.58 54.95 1ojx n ASN 233 Cb 0.26 -0.40 -0.01 0.00 -0.61 0.00 0.00 39.78 39.02 1ojx n ASN 233 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1ojx n VAL 234 N -1.40 0.85 0.93 2.41 0.31 -0.72 -4.80 118.33 115.91 1ojx n VAL 234 Ca 0.04 0.27 0.14 0.00 -0.01 0.00 0.00 64.34 64.78 1ojx n VAL 234 Cb 0.12 -1.82 0.58 0.00 -0.91 0.00 0.00 33.84 31.81 1ojx n VAL 234 CO 0.00 0.00 0.00 -2.67 -1.32 0.00 0.00 176.83 172.84 1ojx n TRP 235 N -3.51 0.14 1.06 3.52 4.27 -0.70 -2.36 117.44 119.86 1ojx n TRP 235 Ca -0.06 0.04 0.13 0.00 -3.89 0.00 0.00 57.50 53.72 1ojx n TRP 235 Cb 0.22 -0.57 0.49 0.00 -1.36 0.00 0.00 31.31 30.10 1ojx n TRP 235 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 1ojx n GLN 236 N -1.62 0.10 -3.37 -2.67 7.27 -0.72 -4.67 117.38 111.69 1ojx n GLN 236 Ca 0.07 -0.03 -0.35 0.00 0.07 0.00 0.00 57.00 56.75 1ojx n GLN 236 Cb 0.35 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.44 1ojx n GLN 236 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 1ojx s ARG 237 N -2.92 3.97 0.45 3.69 0.52 -1.00 -4.32 118.95 119.33 1ojx s ARG 237 Ca 0.15 0.47 0.25 0.00 -0.52 0.00 0.00 55.73 56.08 1ojx s ARG 237 Cb 0.19 -2.95 0.89 0.00 0.52 0.00 0.00 34.95 33.60 1ojx s ARG 237 CO 0.58 0.49 1.81 0.00 0.02 0.00 0.00 175.30 178.21 1ojx h ARG 238 N 3.62 0.00 -1.03 3.54 3.08 -1.89 -2.68 114.38 119.03 1ojx h ARG 238 Ca -0.49 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 58.91 1ojx h ARG 238 Cb 1.19 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.92 1ojx h ARG 238 CO 0.66 0.20 0.48 -0.40 -1.07 0.00 0.00 179.97 179.83 1ojx n ASP 239 N -3.32 7.02 -0.17 7.04 5.75 -1.26 -4.87 116.55 126.74 1ojx n ASP 239 Ca 0.01 -3.78 -0.03 0.00 -0.01 0.00 0.00 54.79 50.97 1ojx n ASP 239 Cb 0.44 -0.83 0.03 0.00 -1.03 0.00 0.00 41.12 39.73 1ojx n ASP 239 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ojx h ALA 240 N 2.12 0.21 -0.30 2.12 0.00 -1.67 -1.90 119.26 119.85 1ojx h ALA 240 Ca 0.55 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.56 1ojx h ALA 240 Cb 0.92 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1ojx h ALA 240 CO 1.38 -0.52 -0.14 1.25 0.00 0.00 0.00 179.25 181.23 1ojx h LEU 241 N -0.08 0.64 -0.41 0.00 5.85 -1.89 -0.80 115.31 118.63 1ojx h LEU 241 Ca 0.25 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1ojx h LEU 241 Cb 0.45 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1ojx h LEU 241 CO -0.57 0.90 0.26 0.50 -0.34 0.00 0.00 178.44 179.19 1ojx h LYS 242 N 0.38 0.54 -0.53 1.25 3.64 -1.91 -0.54 116.57 119.40 1ojx h LYS 242 Ca 0.07 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 1ojx h LYS 242 Cb 0.66 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1ojx h LYS 242 CO 0.04 0.38 -0.12 0.35 -2.27 0.00 0.00 179.45 177.83 1ojx h PHE 243 N 0.54 1.14 -0.74 1.91 3.57 -1.35 -1.62 116.94 120.39 1ojx h PHE 243 Ca 0.15 -0.24 0.05 0.00 3.53 0.00 0.00 57.97 61.46 1ojx h PHE 243 Cb -0.04 -0.28 -0.05 0.00 2.79 0.00 0.00 35.95 38.37 1ojx h PHE 243 CO -0.04 1.06 0.45 0.00 -2.23 0.00 0.00 178.31 177.55 1ojx h ALA 244 N 0.95 0.99 -0.11 2.41 0.00 -0.87 -0.34 119.26 122.29 1ojx h ALA 244 Ca 0.14 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1ojx h ALA 244 Cb 0.69 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ojx h ALA 244 CO 0.05 0.19 -0.36 0.00 0.00 0.00 0.00 179.25 179.13 1ojx h ARG 245 N 0.85 0.22 -0.42 0.00 3.08 -0.85 -1.87 114.38 115.38 1ojx h ARG 245 Ca 0.32 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 1ojx h ARG 245 Cb 0.11 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1ojx h ARG 245 CO -0.15 0.56 -0.15 0.00 -1.07 0.00 0.00 179.97 179.16 1ojx h ALA 246 N 1.43 0.95 -0.48 0.04 0.00 -0.48 -1.65 119.26 119.08 1ojx h ALA 246 Ca 0.02 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1ojx h ALA 246 Cb 0.74 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1ojx h ALA 246 CO 0.06 0.61 0.02 -0.07 0.00 0.00 0.00 179.25 179.87 1ojx h LEU 247 N 0.70 0.81 -0.74 0.00 3.38 -0.71 -2.14 115.31 116.61 1ojx h LEU 247 Ca 0.11 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1ojx h LEU 247 Cb 0.64 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1ojx h LEU 247 CO 0.05 0.91 0.48 0.00 0.09 0.00 0.00 178.44 179.97 1ojx h ALA 248 N 0.93 0.95 -0.81 1.53 0.00 -1.22 -0.40 119.26 120.25 1ojx h ALA 248 Ca 0.14 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ojx h ALA 248 Cb 0.48 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1ojx h ALA 248 CO 0.02 0.32 0.48 1.49 0.00 0.00 0.00 179.25 181.56 1ojx h GLU 249 N 0.97 1.10 0.03 0.00 4.57 -0.97 -0.60 114.58 119.67 1ojx h GLU 249 Ca 0.28 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.36 1ojx h GLU 249 Cb -0.06 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.30 1ojx h GLU 249 CO -0.08 0.78 -0.02 1.25 -1.18 0.00 0.00 179.01 179.76 1ojx h LEU 250 N 1.11 -0.04 -0.18 1.64 5.85 -1.11 -1.49 115.31 121.08 1ojx h LEU 250 Ca 0.29 -0.44 -0.11 0.00 0.84 0.00 0.00 57.88 58.45 1ojx h LEU 250 Cb -0.03 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1ojx h LEU 250 CO -0.05 0.43 -0.32 0.58 -0.34 0.00 0.00 178.44 178.74 1ojx h VAL 251 N -0.52 1.34 0.00 1.05 2.07 -0.99 -3.28 116.25 115.93 1ojx h VAL 251 Ca -0.00 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1ojx h VAL 251 Cb 0.48 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1ojx h VAL 251 CO 0.01 0.47 -0.79 -1.22 0.02 0.00 0.00 177.57 176.06 1ojx n TYR 252 N -4.34 0.15 0.00 1.57 4.01 -0.24 -4.82 117.16 113.49 1ojx n TYR 252 Ca -0.06 0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 1ojx n TYR 252 Cb 0.49 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 1ojx n TYR 252 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81