#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 -0.46 1.20 3.38 -1.98 -2.43 115.31 115.01 1ojx h LEU 4 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 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 0.34 0.19 0.74 0.09 0.00 0.00 178.44 179.80 1ojx h THR 5 N 0.00 1.21 -0.89 0.22 2.02 -1.97 -0.42 112.91 113.08 1ojx h THR 5 Ca -0.00 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.52 1ojx h THR 5 Cb 1.21 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.34 1ojx h THR 5 CO 0.04 0.24 0.48 -0.33 0.37 0.00 0.00 175.52 176.32 1ojx h GLU 6 N 0.61 1.25 -0.38 6.66 5.08 -1.84 0.33 114.58 126.28 1ojx h GLU 6 Ca 0.15 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1ojx h GLU 6 Cb 0.19 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1ojx h GLU 6 CO -0.01 0.92 0.06 -0.22 -1.00 0.00 0.00 179.01 178.76 1ojx h LYS 7 N 1.25 0.63 -0.58 2.33 3.64 -1.31 -1.31 116.57 121.23 1ojx h LYS 7 Ca 0.31 -0.17 0.08 0.00 -1.27 0.00 0.00 60.65 59.61 1ojx h LYS 7 Cb 0.04 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.72 1ojx h LYS 7 CO -0.05 0.69 0.23 0.35 -2.27 0.00 0.00 179.45 178.40 1ojx h PHE 8 N 0.47 0.41 -0.59 1.91 3.57 -0.76 -2.34 116.94 119.61 1ojx h PHE 8 Ca 0.12 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 1ojx h PHE 8 Cb 0.36 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 1ojx h PHE 8 CO 0.02 0.13 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.13 1ojx h LEU 9 N 0.42 1.05 -0.91 0.59 3.38 -0.62 -0.77 115.31 118.45 1ojx h LEU 9 Ca 0.29 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1ojx h LEU 9 Cb 0.32 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1ojx h LEU 9 CO -0.27 1.11 0.60 -0.09 0.09 0.00 0.00 178.44 179.88 1ojx h ARG 10 N 0.96 1.17 0.14 1.13 2.43 -1.00 -0.87 114.38 118.34 1ojx h ARG 10 Ca 0.16 -0.07 -0.32 0.00 -0.81 0.00 0.00 59.98 58.94 1ojx h ARG 10 Cb 0.59 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1ojx h ARG 10 CO 0.04 0.77 -1.67 0.82 -1.51 0.00 0.00 179.97 178.42 1ojx h ILE 11 N 1.20 0.89 -0.03 1.20 2.04 -1.28 -3.35 117.51 118.18 1ojx h ILE 11 Ca 0.34 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.79 1ojx h ILE 11 Cb -0.10 2.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1ojx h ILE 11 CO -0.09 0.79 0.00 0.49 0.00 0.00 0.00 178.15 179.34 1ojx n PHE 12 N -3.72 0.02 -2.77 1.37 3.72 -0.31 -4.64 117.46 111.14 1ojx n PHE 12 Ca -0.27 -0.02 -0.01 0.00 -0.05 0.00 0.00 57.45 57.10 1ojx n PHE 12 Cb 0.99 -0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.60 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 0.75 2.70 -0.05 4.37 0.00 -0.34 -4.52 120.51 123.42 1ojx n ALA 13 Ca 0.08 -2.15 0.23 0.00 0.00 0.00 0.00 53.44 51.60 1ojx n ALA 13 Cb 0.34 -0.85 0.70 0.00 0.00 0.00 0.00 19.45 19.64 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 2.02 0.00 -0.01 0.00 0.11 -1.67 -0.38 114.38 114.45 1ojx h ARG 14 Ca -0.25 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.83 1ojx h ARG 14 Cb 1.30 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.38 1ojx h ARG 14 CO 0.05 0.00 -0.09 0.54 0.10 0.00 0.00 179.97 180.57 1ojx n ARG 15 N -4.32 1.22 0.00 0.08 1.74 -1.26 -4.92 116.66 109.19 1ojx n ARG 15 Ca 0.12 -0.63 0.00 0.00 -0.77 0.00 0.00 57.85 56.57 1ojx n ARG 15 Cb 0.72 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.67 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 1.22 2.63 3.19 -0.13 0.00 -0.15 -5.04 105.19 106.90 1ojx n GLY 16 Ca 0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.68 1.03 -0.01 1.61 -0.14 -1.26 -4.97 119.74 115.32 1ojx s LYS 17 Ca 0.00 -1.50 0.01 0.00 -1.36 0.00 0.00 55.97 53.12 1ojx s LYS 17 Cb 0.00 0.03 -0.00 0.00 -1.68 0.00 0.00 37.83 36.18 1ojx s LYS 17 CO 0.00 -0.22 -0.04 0.45 -0.76 0.00 0.00 175.35 174.78 1ojx s SER 18 N -3.11 0.51 -0.13 2.83 0.15 -0.61 -4.59 113.70 108.74 1ojx s SER 18 Ca 0.25 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.83 1ojx s SER 18 Cb 0.07 -0.07 0.02 0.00 -1.71 0.00 0.00 66.02 64.33 1ojx s SER 18 CO 0.04 0.04 -0.13 -0.63 1.20 0.00 0.00 173.24 173.76 1ojx s ILE 19 N -0.03 1.40 -0.11 6.45 1.01 -1.26 -1.66 121.20 127.00 1ojx s ILE 19 Ca 0.01 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1ojx s ILE 19 Cb -0.02 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.09 1ojx s ILE 19 CO -0.00 0.43 -0.06 -0.63 0.00 0.00 0.00 174.94 174.68 1ojx s ILE 20 N 1.39 3.73 -0.54 2.92 -1.09 -0.49 -1.24 121.20 125.89 1ojx s ILE 20 Ca 0.01 -0.44 -0.19 0.00 -2.23 0.00 0.00 60.65 57.80 1ojx s ILE 20 Cb -0.13 -2.58 0.07 0.00 -1.58 0.00 0.00 42.46 38.24 1ojx s ILE 20 CO -0.07 0.55 0.67 -0.22 -1.23 0.00 0.00 174.94 174.64 1ojx s LEU 21 N -0.22 5.05 0.19 2.97 2.96 -0.18 -1.13 118.68 128.32 1ojx s LEU 21 Ca 0.03 -1.06 -0.30 0.00 -0.22 0.00 0.00 54.13 52.58 1ojx s LEU 21 Cb -0.13 -2.41 -0.08 0.00 0.50 0.00 0.00 46.19 44.07 1ojx s LEU 21 CO 0.03 -0.99 1.02 0.00 -1.32 0.00 0.00 176.35 175.08 1ojx s ALA 22 N 2.73 3.33 -0.27 5.97 0.00 -0.19 -1.64 121.76 131.70 1ojx s ALA 22 Ca 0.15 0.70 0.18 0.00 0.00 0.00 0.00 51.96 52.99 1ojx s ALA 22 Cb -0.20 -3.29 0.44 0.00 0.00 0.00 0.00 23.12 20.07 1ojx s ALA 22 CO 0.10 -0.03 1.29 0.98 0.00 0.00 0.00 175.76 178.10 1ojx n TYR 23 N 2.10 -0.28 1.06 0.00 9.36 -0.62 -4.41 117.16 124.37 1ojx n TYR 23 Ca 0.01 -1.79 0.08 0.00 3.32 0.00 0.00 57.90 59.51 1ojx n TYR 23 Cb 0.47 0.57 0.26 0.00 -0.63 0.00 0.00 39.34 40.01 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 -0.91 1.73 -0.10 2.98 5.75 -1.24 -4.52 116.55 120.24 1ojx n ASP 24 Ca -0.05 -1.86 0.08 0.00 -0.01 0.00 0.00 54.79 52.94 1ojx n ASP 24 Cb 0.85 -0.17 0.43 0.00 -1.03 0.00 0.00 41.12 41.19 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 2.07 0.58 -0.97 2.11 2.76 -1.93 -2.76 115.15 117.00 1ojx h HIS 25 Ca 0.00 0.01 0.13 0.00 -2.20 0.00 0.00 60.37 58.31 1ojx h HIS 25 Cb 0.46 -0.19 -0.08 0.00 1.55 0.00 0.00 27.41 29.15 1ojx h HIS 25 CO 0.17 0.31 0.61 0.78 -1.30 0.00 0.00 177.93 178.51 1ojx h GLY 26 N 0.58 1.52 0.39 5.26 0.00 -1.81 -0.01 103.07 109.00 1ojx h GLY 26 Ca 0.26 -0.39 -0.30 0.00 0.00 0.00 0.00 47.33 46.90 1ojx h GLY 26 CO -0.07 0.14 -1.64 1.19 0.00 0.00 0.00 176.54 176.16 1ojx h ILE 27 N 0.90 0.80 -0.61 2.60 2.10 -1.85 -2.98 117.51 118.47 1ojx h ILE 27 Ca 0.48 -2.30 -0.06 0.00 1.08 0.00 0.00 64.86 64.07 1ojx h ILE 27 Cb 0.56 2.45 -0.03 0.00 -1.09 0.00 0.00 36.82 38.71 1ojx h ILE 27 CO -0.25 0.66 0.16 -0.33 -1.08 0.00 0.00 178.15 177.31 1ojx h GLU 28 N -0.37 0.98 0.00 2.19 4.39 -1.30 -3.36 114.58 117.11 1ojx h GLU 28 Ca -0.38 -0.23 0.00 0.00 0.34 0.00 0.00 59.36 59.09 1ojx h GLU 28 Cb 1.73 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.25 1ojx h GLU 28 CO -0.02 0.89 -0.97 0.72 -1.16 0.00 0.00 179.01 178.47 1ojx n HIS 29 N -4.35 0.00 0.00 4.33 8.25 -0.13 -2.25 115.22 121.08 1ojx n HIS 29 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1ojx n HIS 29 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 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 2.45 -0.39 0.07 -1.41 0.00 -0.55 -4.68 105.19 100.67 1ojx n GLY 30 Ca 0.00 -1.74 0.12 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.38 1.09 -0.23 1.61 -0.04 -1.26 -4.30 135.00 131.50 1ojx n PRO 31 Ca 0.00 -0.14 0.01 0.00 -0.04 0.00 0.00 63.50 63.33 1ojx n PRO 31 Cb 0.00 -1.39 0.13 0.00 -0.04 0.00 0.00 33.50 32.19 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 3.83 0.89 0.00 0.55 0.00 -1.97 -1.32 119.26 121.24 1ojx h ALA 32 Ca 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1ojx h ALA 32 Cb 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ojx h ALA 32 CO 0.00 -0.13 -0.29 -0.44 0.00 0.00 0.00 179.25 178.39 1ojx h ASP 33 N 0.49 0.00 0.00 0.00 3.32 -1.93 -2.56 116.42 115.75 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 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1ojx h ASP 33 CO -0.30 0.29 0.24 -0.26 -1.72 0.00 0.00 179.24 177.49 1ojx h PHE 34 N 0.00 0.00 -0.33 4.55 0.04 -1.53 -2.91 116.94 116.76 1ojx h PHE 34 Ca -0.00 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.65 1ojx h PHE 34 Cb 0.55 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 1ojx h PHE 34 CO 0.00 0.00 -0.28 0.52 -0.60 0.00 0.00 178.31 177.95 1ojx h MET 35 N 0.00 0.68 -0.96 1.51 2.86 -1.58 -2.80 114.93 114.63 1ojx h MET 35 Ca 0.00 -0.29 0.15 0.00 -2.06 0.00 0.00 59.70 57.50 1ojx h MET 35 Cb 0.48 -0.02 -0.08 0.00 0.06 0.00 0.00 31.60 32.03 1ojx h MET 35 CO 0.00 0.88 0.61 -0.44 1.06 0.00 0.00 176.91 179.02 1ojx h ASP 36 N 0.58 0.77 -2.64 1.22 3.32 -1.75 -3.27 116.42 114.65 1ojx h ASP 36 Ca 0.07 0.06 -0.59 0.00 0.02 0.00 0.00 57.03 56.59 1ojx h ASP 36 Cb 0.78 -0.09 -0.39 0.00 0.22 0.00 0.00 39.33 39.85 1ojx h ASP 36 CO 0.06 0.36 -0.87 0.21 -1.72 0.00 0.00 179.24 177.29 1ojx s ASN 37 N -5.65 2.57 0.54 6.45 2.47 -1.20 -4.79 114.94 115.32 1ojx s ASN 37 Ca -0.11 -2.64 0.21 0.00 0.42 0.00 0.00 52.86 50.74 1ojx s ASN 37 Cb 0.23 -0.55 1.41 0.00 -1.45 0.00 0.00 41.25 40.89 1ojx s ASN 37 CO 0.80 -0.24 2.13 1.55 -3.72 0.00 0.00 177.10 177.61 1ojx h PRO 38 N 6.40 0.00 -0.08 0.43 0.13 -1.55 0.09 132.00 137.42 1ojx h PRO 38 Ca 0.13 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1ojx h PRO 38 Cb 0.93 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.06 1ojx h PRO 38 CO 0.35 0.00 0.25 -0.44 -0.23 0.00 0.00 178.00 177.93 1ojx h ASP 39 N 0.00 0.00 0.43 1.44 3.32 -1.94 -2.24 116.42 117.42 1ojx h ASP 39 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1ojx h ASP 39 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1ojx h ASP 39 CO -0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 1ojx n SER 40 N -3.19 0.59 0.12 6.45 3.41 0.02 -1.90 113.62 119.11 1ojx n SER 40 Ca -0.01 0.69 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 1ojx n SER 40 Cb 0.33 -0.80 0.43 0.00 -0.26 0.00 0.00 64.21 63.91 1ojx n SER 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ojx n ALA 41 N -1.76 2.07 -2.48 7.33 0.00 -0.84 -4.73 120.51 120.11 1ojx n ALA 41 Ca 0.01 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 1ojx n ALA 41 Cb 0.15 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.05 1ojx n ALA 41 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ojx s ASP 42 N -4.50 6.09 0.52 0.00 -1.08 -0.80 -4.98 116.67 111.93 1ojx s ASP 42 Ca 0.08 -0.81 0.20 0.00 -0.52 0.00 0.00 52.55 51.50 1ojx s ASP 42 Cb 0.11 -2.15 1.31 0.00 -1.46 0.00 0.00 42.92 40.73 1ojx s ASP 42 CO 0.53 -0.41 2.07 -0.65 0.52 0.00 0.00 175.17 177.24 1ojx h PRO 43 N 8.60 0.02 -0.84 4.34 0.11 -1.85 -1.84 132.00 140.54 1ojx h PRO 43 Ca -0.28 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.87 1ojx h PRO 43 Cb 1.13 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 1ojx h PRO 43 CO 0.71 0.02 0.53 0.93 -0.21 0.00 0.00 178.00 179.98 1ojx h GLU 44 N 0.03 0.97 -0.91 1.05 5.08 -1.93 -1.88 114.58 116.99 1ojx h GLU 44 Ca 0.13 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1ojx h GLU 44 Cb 0.48 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1ojx h GLU 44 CO -0.00 0.64 0.53 -0.92 -1.00 0.00 0.00 179.01 178.26 1ojx h TYR 45 N 1.00 1.21 -0.43 4.33 3.20 -1.60 -2.22 116.97 122.46 1ojx h TYR 45 Ca 0.35 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.16 1ojx h TYR 45 Cb 0.07 -0.39 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 1ojx h TYR 45 CO -0.03 0.81 0.10 0.82 -1.64 0.00 0.00 178.16 178.22 1ojx h ILE 46 N 1.26 1.23 -0.57 1.81 1.08 -1.28 -0.53 117.51 120.52 1ojx h ILE 46 Ca 0.32 -0.82 -0.02 0.00 -0.39 0.00 0.00 64.86 63.96 1ojx h ILE 46 Cb -0.03 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 1ojx h ILE 46 CO -0.06 0.29 0.28 -0.07 -0.69 0.00 0.00 178.15 177.90 1ojx h LEU 47 N 0.56 0.73 -0.87 1.44 3.38 -1.24 -1.88 115.31 117.43 1ojx h LEU 47 Ca 0.13 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1ojx h LEU 47 Cb 0.33 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1ojx h LEU 47 CO 0.00 0.65 0.21 -0.09 0.09 0.00 0.00 178.44 179.30 1ojx h ARG 48 N 0.76 1.04 -0.27 1.13 2.43 -1.20 -2.26 114.38 116.01 1ojx h ARG 48 Ca 0.20 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1ojx h ARG 48 Cb 0.10 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1ojx h ARG 48 CO -0.03 0.89 0.14 1.25 -1.51 0.00 0.00 179.97 180.71 1ojx h LEU 49 N 1.01 0.35 -0.85 3.80 5.85 -0.91 -0.37 115.31 124.19 1ojx h LEU 49 Ca 0.22 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1ojx h LEU 49 Cb 0.29 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1ojx h LEU 49 CO -0.01 0.37 0.19 0.00 -0.34 0.00 0.00 178.44 178.65 1ojx h ALA 50 N 1.00 1.06 0.08 1.25 0.00 -1.17 -1.75 119.26 119.73 1ojx h ALA 50 Ca 0.09 -0.22 -0.25 0.00 0.00 0.00 0.00 54.91 54.53 1ojx h ALA 50 Cb 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ojx h ALA 50 CO -0.01 0.63 -1.11 0.07 0.00 0.00 0.00 179.25 178.82 1ojx h ARG 51 N 1.00 0.34 0.00 0.00 0.11 -1.29 -1.50 114.38 113.04 1ojx h ARG 51 Ca 0.22 -0.47 -0.11 0.00 0.10 0.00 0.00 59.98 59.72 1ojx h ARG 51 Cb 0.31 0.16 -0.02 0.00 1.11 0.00 0.00 29.97 31.54 1ojx h ARG 51 CO -0.00 1.17 -0.51 -0.44 0.10 0.00 0.00 179.97 180.29 1ojx h ASP 52 N 0.14 0.00 0.93 0.08 3.32 -0.98 -2.76 116.42 117.16 1ojx h ASP 52 Ca -0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1ojx h ASP 52 Cb 1.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.34 1ojx h ASP 52 CO 0.19 0.51 -0.25 0.00 -1.72 0.00 0.00 179.24 177.97 1ojx n ALA 53 N -2.44 2.76 -2.29 3.45 0.00 -0.67 -4.96 120.51 116.36 1ojx n ALA 53 Ca -0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 53.44 53.18 1ojx n ALA 53 Cb 0.53 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 1.43 0.23 3.83 0.00 0.00 -1.01 -4.76 105.19 104.92 1ojx n GLY 54 Ca 0.06 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.50 2.91 -0.21 1.61 0.08 -0.60 -5.01 117.98 114.26 1ojx s PHE 55 Ca 0.04 1.02 0.20 0.00 0.12 0.00 0.00 56.93 58.32 1ojx s PHE 55 Cb -0.02 -3.20 -0.01 0.00 -0.57 0.00 0.00 43.02 39.22 1ojx s PHE 55 CO 0.05 -1.74 1.05 -0.44 -0.10 0.00 0.00 175.22 174.05 1ojx h ASP 56 N -1.05 0.00 -5.61 1.36 3.32 -1.48 -3.46 116.42 109.49 1ojx h ASP 56 Ca -0.47 0.00 0.27 0.00 0.02 0.00 0.00 57.03 56.85 1ojx h ASP 56 Cb 1.28 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.74 1ojx h ASP 56 CO 0.62 0.21 0.71 -0.83 -1.72 0.00 0.00 179.24 178.23 1ojx s GLY 57 N -4.49 -0.25 0.07 2.75 0.00 -1.23 -4.07 107.32 100.10 1ojx s GLY 57 Ca -0.00 0.30 0.03 0.00 0.00 0.00 0.00 44.72 45.05 1ojx s GLY 57 CO 0.78 1.18 -0.10 -1.34 0.00 0.00 0.00 173.10 173.62 1ojx s VAL 58 N -2.56 0.84 -0.22 1.40 -7.23 -0.50 -1.01 120.40 111.13 1ojx s VAL 58 Ca 0.17 -1.40 -0.02 0.00 -1.81 0.00 0.00 61.98 58.92 1ojx s VAL 58 Cb 0.01 -1.07 0.01 0.00 0.56 0.00 0.00 36.38 35.89 1ojx s VAL 58 CO -0.00 -0.44 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.58 1ojx s VAL 59 N -1.89 2.95 0.07 1.32 1.01 -0.65 -0.88 120.40 122.33 1ojx s VAL 59 Ca -0.01 -0.76 0.08 0.00 0.00 0.00 0.00 61.98 61.29 1ojx s VAL 59 Cb -0.06 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 1ojx s VAL 59 CO 0.00 0.37 -0.21 -0.36 0.00 0.00 0.00 175.10 174.91 1ojx s PHE 60 N 1.39 1.81 0.82 5.22 0.08 -0.98 -1.59 117.98 124.72 1ojx s PHE 60 Ca 0.04 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.58 1ojx s PHE 60 Cb -0.15 -1.03 0.08 0.00 -0.57 0.00 0.00 43.02 41.35 1ojx s PHE 60 CO -0.06 0.15 1.10 -0.65 -0.10 0.00 0.00 175.22 175.67 1ojx s GLN 61 N -1.54 1.91 0.33 0.44 -1.52 -1.26 -1.51 119.66 116.51 1ojx s GLN 61 Ca 0.07 0.58 0.01 0.00 -1.95 0.00 0.00 55.36 54.08 1ojx s GLN 61 Cb -0.09 -1.90 0.58 0.00 -0.22 0.00 0.00 33.01 31.37 1ojx s GLN 61 CO 0.03 -1.73 1.97 0.07 -0.25 0.00 0.00 175.29 175.39 1ojx h ARG 62 N -1.16 0.92 -0.36 2.91 0.11 -1.95 -1.60 114.38 113.25 1ojx h ARG 62 Ca -0.48 -0.06 -0.10 0.00 0.10 0.00 0.00 59.98 59.45 1ojx h ARG 62 Cb 1.28 -0.21 -0.01 0.00 1.11 0.00 0.00 29.97 32.14 1ojx h ARG 62 CO 0.60 0.61 -0.18 0.78 0.10 0.00 0.00 179.97 181.87 1ojx h GLY 63 N 0.95 0.82 1.00 0.08 0.00 -1.98 -0.24 103.07 103.70 1ojx h GLY 63 Ca 0.29 -0.74 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 1ojx h GLY 63 CO -0.08 0.67 -0.25 -2.22 0.00 0.00 0.00 176.54 174.66 1ojx h ILE 64 N 0.54 1.29 -0.70 2.60 1.08 -1.87 -2.37 117.51 118.07 1ojx h ILE 64 Ca 0.08 -1.40 -0.02 0.00 -0.39 0.00 0.00 64.86 63.13 1ojx h ILE 64 Cb 0.73 1.44 -0.03 0.00 -3.07 0.00 0.00 36.82 35.88 1ojx h ILE 64 CO 0.05 0.46 0.38 0.00 -0.69 0.00 0.00 178.15 178.35 1ojx h ALA 65 N 0.76 0.90 -0.48 1.87 0.00 -1.19 -1.18 119.26 119.94 1ojx h ALA 65 Ca 0.07 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1ojx h ALA 65 Cb 0.81 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1ojx h ALA 65 CO 0.07 0.43 0.04 1.49 0.00 0.00 0.00 179.25 181.27 1ojx h GLU 66 N 0.97 0.83 0.00 0.00 4.81 -0.86 -1.53 114.58 118.80 1ojx h GLU 66 Ca 0.25 -0.24 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1ojx h GLU 66 Cb 0.05 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1ojx h GLU 66 CO -0.04 0.85 -0.95 0.87 -0.73 0.00 0.00 179.01 179.01 1ojx h LYS 67 N 0.69 0.00 0.00 1.92 6.56 -1.43 -3.42 116.57 120.89 1ojx h LYS 67 Ca 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.73 1ojx h LYS 67 Cb 0.45 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.11 1ojx h LYS 67 CO 0.02 0.56 -0.62 0.66 -2.06 0.00 0.00 179.45 178.01 1ojx n TYR 68 N -3.15 0.00 -1.97 -1.35 4.01 -0.45 -5.07 117.16 109.19 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 0.83 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.84 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 -1.48 3.01 -0.03 -0.72 5.04 -0.58 -4.90 117.35 117.69 1ojx s TYR 69 Ca 0.00 0.87 0.05 0.00 -2.44 0.00 0.00 57.07 55.54 1ojx s TYR 69 Cb 0.00 -3.88 0.07 0.00 0.35 0.00 0.00 41.96 38.50 1ojx s TYR 69 CO 0.00 -3.00 0.94 -0.40 -1.34 0.00 0.00 175.55 171.75 1ojx n ASP 70 N 2.91 1.52 0.00 4.32 5.75 -1.26 -4.97 116.55 124.82 1ojx n ASP 70 Ca 0.09 -2.07 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 1ojx n ASP 70 Cb 0.39 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 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 -0.58 0.79 0.17 6.12 0.00 -1.26 -4.92 105.19 105.51 1ojx n GLY 71 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.89 1.61 4.64 -1.98 -3.44 113.55 110.48 1ojx h SER 72 Ca 0.00 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.11 1ojx h SER 72 Cb 0.00 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 61.82 1ojx h SER 72 CO 0.00 0.22 -0.66 -0.69 -0.87 0.00 0.00 176.83 174.83 1ojx s VAL 73 N -3.12 0.01 0.26 0.95 1.01 -1.26 -4.97 120.40 113.29 1ojx s VAL 73 Ca 0.05 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 1ojx s VAL 73 Cb 0.07 -0.10 -0.14 0.00 0.00 0.00 0.00 36.38 36.21 1ojx s VAL 73 CO 0.72 -0.05 1.26 -2.65 0.00 0.00 0.00 175.10 174.37 1ojx n PRO 74 N 2.88 1.78 -4.31 2.72 -0.02 -1.26 -4.77 135.00 132.02 1ojx n PRO 74 Ca -0.13 0.63 -0.34 0.00 -2.02 0.00 0.00 63.50 61.63 1ojx n PRO 74 Cb 0.59 -2.18 -0.13 0.00 -0.02 0.00 0.00 33.50 31.76 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 0.01 3.12 -0.35 2.45 2.96 -1.26 -1.40 118.68 124.20 1ojx s LEU 75 Ca 0.64 -0.21 -0.14 0.00 -0.22 0.00 0.00 54.13 54.20 1ojx s LEU 75 Cb -0.67 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.24 1ojx s LEU 75 CO 0.55 0.12 0.28 -0.63 -1.32 0.00 0.00 176.35 175.35 1ojx s ILE 76 N 0.67 5.25 -0.43 6.68 1.01 -0.06 -1.07 121.20 133.26 1ojx s ILE 76 Ca -0.02 -0.20 -0.26 0.00 0.00 0.00 0.00 60.65 60.17 1ojx s ILE 76 Cb -0.15 -3.77 0.02 0.00 0.01 0.00 0.00 42.46 38.58 1ojx s ILE 76 CO 0.02 -0.07 0.93 -0.22 0.00 0.00 0.00 174.94 175.61 1ojx s LEU 77 N 1.80 3.98 -0.44 2.97 1.98 -0.55 -2.33 118.68 126.09 1ojx s LEU 77 Ca 0.07 0.31 -0.29 0.00 -2.89 0.00 0.00 54.13 51.34 1ojx s LEU 77 Cb -0.17 -3.24 0.02 0.00 0.66 0.00 0.00 46.19 43.46 1ojx s LEU 77 CO 0.11 -0.98 1.21 -0.75 -1.89 0.00 0.00 176.35 174.04 1ojx s LYS 78 N 3.68 3.72 0.11 1.98 2.47 -0.57 -0.10 119.74 131.03 1ojx s LYS 78 Ca 0.38 0.74 0.01 0.00 -1.56 0.00 0.00 55.97 55.53 1ojx s LYS 78 Cb -0.11 -3.92 -0.18 0.00 -1.46 0.00 0.00 37.83 32.16 1ojx s LYS 78 CO 0.24 -1.38 1.25 -0.07 0.16 0.00 0.00 175.35 175.55 1ojx h LEU 79 N 11.36 0.27 -9.56 5.43 3.38 -1.30 -3.40 115.31 121.49 1ojx h LEU 79 Ca -0.24 -0.27 -0.56 0.00 0.09 0.00 0.00 57.88 56.90 1ojx h LEU 79 Cb 1.07 -0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.64 1ojx h LEU 79 CO 1.11 1.16 -0.64 0.54 0.09 0.00 0.00 178.44 180.69 1ojx s ASN 80 N -6.97 4.63 -0.11 -0.43 4.22 -1.26 -0.92 114.94 114.10 1ojx s ASN 80 Ca -0.02 -0.57 -0.30 0.00 -2.14 0.00 0.00 52.86 49.82 1ojx s ASN 80 Cb 0.09 -0.90 0.08 0.00 1.28 0.00 0.00 41.25 41.79 1ojx s ASN 80 CO 0.85 0.02 0.74 -0.83 -2.04 0.00 0.00 177.10 175.84 1ojx s GLY 81 N -3.53 -0.51 0.27 0.45 0.00 -1.21 -4.87 107.32 97.93 1ojx s GLY 81 Ca 0.30 1.58 0.02 0.00 0.00 0.00 0.00 44.72 46.62 1ojx s GLY 81 CO 0.20 1.12 0.14 -1.59 0.00 0.00 0.00 173.10 172.97 1ojx s LYS 82 N -0.89 1.48 0.31 2.90 -2.85 -1.26 -4.24 119.74 115.19 1ojx s LYS 82 Ca -0.08 -1.82 0.08 0.00 -1.00 0.00 0.00 55.97 53.16 1ojx s LYS 82 Cb -0.01 -0.08 -0.04 0.00 -2.06 0.00 0.00 37.83 35.64 1ojx s LYS 82 CO 0.07 -0.40 0.11 0.95 0.10 0.00 0.00 175.35 176.18 1ojx s THR 83 N -3.74 3.29 -1.01 3.79 -4.23 -1.26 -3.37 115.64 109.11 1ojx s THR 83 Ca 0.37 -1.73 0.28 0.00 -1.18 0.00 0.00 61.69 59.43 1ojx s THR 83 Cb 0.06 -2.98 0.24 0.00 1.34 0.00 0.00 72.50 71.16 1ojx s THR 83 CO 0.16 -0.25 1.90 0.35 -0.54 0.00 0.00 174.62 176.24 1ojx n THR 84 N -1.08 0.07 0.21 3.99 -2.24 -0.95 -3.36 114.28 110.90 1ojx n THR 84 Ca -0.04 0.02 0.07 0.00 -2.27 0.00 0.00 64.05 61.82 1ojx n THR 84 Cb 0.60 -0.53 0.44 0.00 -2.10 0.00 0.00 70.33 68.74 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 -9.70 3.22 3.38 -1.95 -3.44 115.31 106.82 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 0.48 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.27 1ojx h LEU 85 CO 0.00 0.31 0.71 -0.47 0.09 0.00 0.00 178.44 179.08 1ojx s TYR 86 N -3.88 3.15 -0.56 1.13 5.04 -1.21 -4.98 117.35 116.03 1ojx s TYR 86 Ca -0.01 1.11 0.14 0.00 -2.44 0.00 0.00 57.07 55.87 1ojx s TYR 86 Cb 0.12 -3.71 -0.17 0.00 0.35 0.00 0.00 41.96 38.56 1ojx s TYR 86 CO 0.67 -2.29 0.55 0.09 -1.34 0.00 0.00 175.55 173.24 1ojx n ASN 87 N 2.58 0.84 -2.65 4.32 3.02 -1.26 -5.03 115.26 117.07 1ojx n ASN 87 Ca 0.07 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.92 1ojx n ASN 87 Cb 0.41 1.11 0.00 0.00 -0.61 0.00 0.00 39.78 40.70 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 1.39 -2.36 3.72 7.41 0.00 -1.26 -4.96 105.19 109.13 1ojx n GLY 88 Ca 0.02 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.26 2.55 -1.67 1.61 -0.58 -1.26 -4.85 120.64 115.18 1ojx n GLU 89 Ca 0.00 0.91 -0.49 0.00 -0.42 0.00 0.00 57.16 57.16 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 2.38 1.94 -3.69 3.49 -0.02 -1.26 -4.82 135.00 133.01 1ojx n PRO 90 Ca 0.10 0.70 -0.13 0.00 -2.02 0.00 0.00 63.50 62.16 1ojx n PRO 90 Cb 0.35 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.26 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 2.33 -0.00 -0.08 -1.45 0.11 -1.26 -4.48 120.40 115.58 1ojx s VAL 91 Ca 0.87 0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.90 1ojx s VAL 91 Cb -0.76 -0.72 0.04 0.00 -1.53 0.00 0.00 36.38 33.41 1ojx s VAL 91 CO 0.47 0.00 0.10 -0.55 -3.33 0.00 0.00 175.10 171.79 1ojx s SER 92 N 0.44 1.22 0.16 3.54 0.15 -1.26 -4.77 113.70 113.18 1ojx s SER 92 Ca -0.01 0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.73 1ojx s SER 92 Cb -0.04 -0.02 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1ojx s SER 92 CO -0.01 -0.27 0.10 0.68 1.20 0.00 0.00 173.24 174.94 1ojx s VAL 93 N 2.21 4.33 0.20 4.45 -7.23 -1.26 -4.76 120.40 118.34 1ojx s VAL 93 Ca 0.04 -1.12 -0.31 0.00 -1.81 0.00 0.00 61.98 58.78 1ojx s VAL 93 Cb -0.13 -3.19 -0.10 0.00 0.56 0.00 0.00 36.38 33.52 1ojx s VAL 93 CO -0.05 -0.09 1.46 0.00 -0.31 0.00 0.00 175.10 176.11 1ojx s ALA 94 N -1.71 3.66 -1.80 1.32 0.00 -1.26 -3.30 121.76 118.67 1ojx s ALA 94 Ca 0.30 1.30 0.17 0.00 0.00 0.00 0.00 51.96 53.72 1ojx s ALA 94 Cb -0.10 -3.57 0.30 0.00 0.00 0.00 0.00 23.12 19.75 1ojx s ALA 94 CO 0.22 -0.72 1.21 0.27 0.00 0.00 0.00 175.76 176.75 1ojx n ASN 95 N 3.02 2.92 -3.68 0.00 0.23 -0.10 -4.95 115.26 112.70 1ojx n ASN 95 Ca 0.09 -1.85 -0.15 0.00 -0.53 0.00 0.00 54.58 52.14 1ojx n ASN 95 Cb 0.40 -0.17 -0.08 0.00 -2.08 0.00 0.00 39.78 37.85 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 -1.03 6.15 0.23 0.00 1.04 -1.26 -4.90 113.70 113.93 1ojx s SER 97 Ca -0.11 0.31 -0.07 0.00 0.48 0.00 0.00 55.95 56.56 1ojx s SER 97 Cb -0.03 -1.82 0.20 0.00 0.10 0.00 0.00 66.02 64.47 1ojx s SER 97 CO 0.05 -0.38 1.84 0.58 0.98 0.00 0.00 173.24 176.31 1ojx h VAL 98 N 0.72 1.26 -0.66 5.02 2.07 -1.95 -1.09 116.25 121.62 1ojx h VAL 98 Ca -0.49 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.41 1ojx h VAL 98 Cb 1.23 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1ojx h VAL 98 CO 0.59 0.30 0.38 -0.08 0.02 0.00 0.00 177.57 178.79 1ojx h GLU 99 N 1.24 0.70 -0.47 1.57 4.81 -1.95 -1.54 114.58 118.95 1ojx h GLU 99 Ca 0.31 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 1ojx h GLU 99 Cb 0.06 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1ojx h GLU 99 CO -0.05 0.46 -0.09 0.93 -0.73 0.00 0.00 179.01 179.54 1ojx h GLU 100 N 0.72 0.84 -0.96 1.92 5.08 -1.87 -2.52 114.58 117.78 1ojx h GLU 100 Ca 0.29 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1ojx h GLU 100 Cb 0.13 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.26 1ojx h GLU 100 CO -0.15 0.89 0.62 0.00 -1.00 0.00 0.00 179.01 179.37 1ojx h ALA 101 N 1.14 1.22 -0.30 3.43 0.00 -0.63 -0.90 119.26 123.23 1ojx h ALA 101 Ca 0.13 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ojx h ALA 101 Cb 0.58 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1ojx h ALA 101 CO 0.04 0.63 0.15 0.28 0.00 0.00 0.00 179.25 180.35 1ojx h VAL 102 N 1.31 1.00 -0.21 0.00 2.07 -1.07 -2.03 116.25 117.33 1ojx h VAL 102 Ca 0.35 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.79 1ojx h VAL 102 Cb -0.13 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1ojx h VAL 102 CO -0.07 0.06 0.14 -1.28 0.02 0.00 0.00 177.57 176.44 1ojx h SER 103 N 0.32 0.12 0.15 0.57 0.87 -0.91 -2.45 113.55 112.23 1ojx h SER 103 Ca 0.12 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 1ojx h SER 103 Cb 0.03 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1ojx h SER 103 CO -0.08 0.09 -0.05 0.18 -0.53 0.00 0.00 176.83 176.44 1ojx n LEU 104 N -4.50 0.66 0.00 2.23 4.77 -0.42 -4.93 117.00 114.81 1ojx n LEU 104 Ca 0.01 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1ojx n LEU 104 Cb 0.18 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1ojx n LEU 104 CO 0.35 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1ojx n GLY 105 N 1.18 0.88 3.77 -0.72 0.00 -0.92 -4.91 105.19 104.47 1ojx n GLY 105 Ca 0.18 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 3.16 -1.04 4.61 0.00 -0.80 -4.64 121.76 121.05 1ojx s ALA 106 Ca 0.00 1.04 0.20 0.00 0.00 0.00 0.00 51.96 53.20 1ojx s ALA 106 Cb 0.00 -3.41 -0.19 0.00 0.00 0.00 0.00 23.12 19.52 1ojx s ALA 106 CO 0.00 -0.64 0.86 0.43 0.00 0.00 0.00 175.76 176.41 1ojx n SER 107 N 0.02 1.04 -3.63 0.00 7.64 -0.23 -4.74 113.62 113.72 1ojx n SER 107 Ca 0.05 -1.02 -0.10 0.00 1.01 0.00 0.00 58.87 58.81 1ojx n SER 107 Cb 0.46 0.94 -0.02 0.00 -1.01 0.00 0.00 64.21 64.58 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 -2.80 -1.38 0.07 -0.43 0.00 -1.13 -4.19 121.76 111.91 1ojx s ALA 108 Ca 0.09 0.10 0.10 0.00 0.00 0.00 0.00 51.96 52.24 1ojx s ALA 108 Cb 0.15 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 24.11 1ojx s ALA 108 CO 0.78 -0.88 -0.26 0.14 0.00 0.00 0.00 175.76 175.54 1ojx s VAL 109 N -3.83 2.12 0.09 0.00 -7.23 -0.55 -1.48 120.40 109.52 1ojx s VAL 109 Ca 0.06 -1.50 0.09 0.00 -1.81 0.00 0.00 61.98 58.82 1ojx s VAL 109 Cb -0.03 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.03 1ojx s VAL 109 CO -0.04 0.25 -0.20 -0.83 -0.31 0.00 0.00 175.10 173.97 1ojx s GLY 110 N -1.52 1.62 -0.18 2.32 0.00 0.85 -0.85 107.32 109.56 1ojx s GLY 110 Ca 0.12 -1.31 -0.12 0.00 0.00 0.00 0.00 44.72 43.41 1ojx s GLY 110 CO 0.03 -1.26 0.45 -0.47 0.00 0.00 0.00 173.10 171.85 1ojx s TYR 111 N -1.04 -0.61 -0.10 1.90 5.04 -0.70 -0.82 117.35 121.03 1ojx s TYR 111 Ca 0.16 1.33 -0.13 0.00 -2.44 0.00 0.00 57.07 55.99 1ojx s TYR 111 Cb -0.10 0.27 -0.05 0.00 0.35 0.00 0.00 41.96 42.43 1ojx s TYR 111 CO 0.07 -0.33 0.32 0.99 -1.34 0.00 0.00 175.55 175.27 1ojx s THR 112 N 1.07 5.24 0.10 4.34 2.01 -1.26 -1.20 115.64 125.94 1ojx s THR 112 Ca -0.07 0.63 0.09 0.00 0.31 0.00 0.00 61.69 62.66 1ojx s THR 112 Cb -0.07 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1ojx s THR 112 CO -0.09 0.48 -0.22 0.27 -0.69 0.00 0.00 174.62 174.36 1ojx s ILE 113 N -0.23 2.54 -0.71 1.82 -4.36 -0.31 -4.84 121.20 115.11 1ojx s ILE 113 Ca 0.19 -1.54 0.05 0.00 -0.26 0.00 0.00 60.65 59.09 1ojx s ILE 113 Cb -0.14 -2.12 0.18 0.00 1.25 0.00 0.00 42.46 41.63 1ojx s ILE 113 CO 0.07 0.16 0.53 -1.22 0.24 0.00 0.00 174.94 174.73 1ojx n TYR 114 N 1.06 3.33 -1.60 1.37 4.01 -1.26 -2.01 117.16 122.06 1ojx n TYR 114 Ca -0.17 -4.30 -0.48 0.00 -0.16 0.00 0.00 57.90 52.80 1ojx n TYR 114 Cb 0.53 -0.63 -0.04 0.00 -0.31 0.00 0.00 39.34 38.89 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 1.84 1.42 0.00 -0.72 -0.02 -1.26 -2.11 135.00 134.15 1ojx n PRO 115 Ca 0.21 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 1ojx n PRO 115 Cb 0.36 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.04 3.08 3.60 -1.23 0.00 -1.26 -1.78 105.19 109.64 1ojx n GLY 116 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 0.94 0.22 1.61 2.88 -0.82 -2.62 113.62 115.89 1ojx n SER 117 Ca 0.00 0.93 0.18 0.00 -1.33 0.00 0.00 58.87 58.65 1ojx n SER 117 Cb 0.00 -1.36 0.84 0.00 -0.75 0.00 0.00 64.21 62.94 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 1.07 0.00 -2.97 0.46 0.00 -1.87 -0.28 103.07 99.49 1ojx h GLY 118 Ca -0.46 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 1ojx h GLY 118 CO 0.54 0.00 0.06 0.69 0.00 0.00 0.00 176.54 177.83 1ojx n PHE 119 N -3.44 1.81 -0.34 5.60 0.99 -1.26 -4.68 117.46 116.15 1ojx n PHE 119 Ca 0.02 -0.92 0.05 0.00 -0.00 0.00 0.00 57.45 56.60 1ojx n PHE 119 Cb 0.41 -0.50 0.23 0.00 -1.00 0.00 0.00 39.48 38.61 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 2.95 1.02 -0.64 -1.08 4.11 -1.29 -1.02 114.58 118.63 1ojx h GLU 120 Ca 0.07 -0.06 0.08 0.00 0.07 0.00 0.00 59.36 59.52 1ojx h GLU 120 Cb 1.91 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 30.89 1ojx h GLU 120 CO 0.47 0.68 0.43 0.11 0.07 0.00 0.00 179.01 180.76 1ojx h TRP 121 N 1.05 0.59 -0.34 2.06 5.08 -1.83 -1.89 115.95 120.67 1ojx h TRP 121 Ca 0.43 0.02 -0.14 0.00 1.08 0.00 0.00 58.89 60.27 1ojx h TRP 121 Cb 0.28 -0.19 -0.01 0.00 -3.00 0.00 0.00 29.16 26.24 1ojx h TRP 121 CO -0.00 0.30 -0.35 -0.22 -1.28 0.00 0.00 178.44 176.89 1ojx h LYS 122 N 0.58 0.84 -0.06 0.12 3.64 -1.54 -1.33 116.57 118.81 1ojx h LYS 122 Ca 0.29 -0.45 -0.17 0.00 -1.27 0.00 0.00 60.65 59.04 1ojx h LYS 122 Cb 0.37 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1ojx h LYS 122 CO -0.09 1.09 -0.72 0.52 -2.27 0.00 0.00 179.45 177.98 1ojx h MET 123 N 0.63 0.32 -0.64 1.90 2.86 -1.47 -2.58 114.93 115.95 1ojx h MET 123 Ca 0.05 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.36 1ojx h MET 123 Cb 0.94 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.62 1ojx h MET 123 CO 0.09 0.91 0.12 0.74 1.06 0.00 0.00 176.91 179.82 1ojx h PHE 124 N 0.22 1.10 -0.40 -0.22 0.04 -1.23 0.81 116.94 117.25 1ojx h PHE 124 Ca -0.03 -0.14 -0.09 0.00 2.80 0.00 0.00 57.97 60.51 1ojx h PHE 124 Cb 1.28 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 39.11 1ojx h PHE 124 CO 0.03 0.92 -0.11 1.49 -0.60 0.00 0.00 178.31 180.04 1ojx h GLU 125 N 0.98 0.79 -0.32 1.51 4.81 -1.24 -2.04 114.58 119.07 1ojx h GLU 125 Ca 0.20 -0.31 -0.17 0.00 -0.13 0.00 0.00 59.36 58.95 1ojx h GLU 125 Cb 0.40 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1ojx h GLU 125 CO 0.01 0.93 -0.46 1.49 -0.73 0.00 0.00 179.01 180.24 1ojx h GLU 126 N 0.60 0.88 -0.11 1.92 4.81 -1.39 -3.09 114.58 118.20 1ojx h GLU 126 Ca 0.10 -0.52 -0.00 0.00 -0.13 0.00 0.00 59.36 58.81 1ojx h GLU 126 Cb 0.64 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.06 1ojx h GLU 126 CO 0.04 1.16 0.04 1.25 -0.73 0.00 0.00 179.01 180.77 1ojx h LEU 127 N 0.67 0.12 -0.60 1.64 5.85 -0.74 -1.65 115.31 120.60 1ojx h LEU 127 Ca 0.03 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1ojx h LEU 127 Cb 1.07 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1ojx h LEU 127 CO 0.11 0.12 0.38 0.00 -0.34 0.00 0.00 178.44 178.71 1ojx h ALA 128 N 1.91 0.76 -0.38 1.25 0.00 -1.28 0.77 119.26 122.28 1ojx h ALA 128 Ca 0.04 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 1ojx h ALA 128 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1ojx h ALA 128 CO -0.00 0.21 -0.36 0.00 0.00 0.00 0.00 179.25 179.09 1ojx h ARG 129 N 0.81 0.92 -0.45 0.00 3.08 -1.37 -2.39 114.38 114.98 1ojx h ARG 129 Ca 0.22 -0.48 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1ojx h ARG 129 Cb -0.07 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1ojx h ARG 129 CO -0.04 1.13 0.21 0.82 -1.07 0.00 0.00 179.97 181.02 1ojx h ILE 130 N 0.74 1.18 -0.49 2.04 2.04 -1.15 -1.71 117.51 120.16 1ojx h ILE 130 Ca 0.06 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1ojx h ILE 130 Cb 0.96 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 1ojx h ILE 130 CO 0.09 0.20 0.32 0.50 0.00 0.00 0.00 178.15 179.26 1ojx h LYS 131 N 0.59 0.65 -0.72 2.37 1.63 -0.85 0.24 116.57 120.48 1ojx h LYS 131 Ca 0.15 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.93 1ojx h LYS 131 Cb 0.12 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 31.57 1ojx h LYS 131 CO -0.02 0.44 0.46 -0.09 -3.45 0.00 0.00 179.45 176.79 1ojx h ARG 132 N 0.66 0.89 -0.26 1.90 2.43 -1.31 -2.04 114.38 116.65 1ojx h ARG 132 Ca 0.18 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 59.15 1ojx h ARG 132 Cb -0.06 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.28 1ojx h ARG 132 CO -0.04 0.59 -0.41 -0.44 -1.51 0.00 0.00 179.97 178.16 1ojx h ASP 133 N 0.91 0.66 -0.67 -3.80 3.32 -0.85 -2.24 116.42 113.77 1ojx h ASP 133 Ca 0.28 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 57.07 1ojx h ASP 133 Cb -0.03 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 1ojx h ASP 133 CO -0.09 1.00 0.40 0.00 -1.72 0.00 0.00 179.24 178.82 1ojx h ALA 134 N 1.03 0.88 -0.27 3.45 0.00 -0.19 -0.66 119.26 123.50 1ojx h ALA 134 Ca 0.04 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ojx h ALA 134 Cb 0.93 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1ojx h ALA 134 CO 0.08 0.12 -0.00 0.28 0.00 0.00 0.00 179.25 179.73 1ojx h VAL 135 N 0.76 1.26 -0.75 0.00 2.07 -1.29 -0.82 116.25 117.47 1ojx h VAL 135 Ca 0.28 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.90 1ojx h VAL 135 Cb 0.09 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.14 1ojx h VAL 135 CO -0.14 0.30 0.47 0.50 0.02 0.00 0.00 177.57 178.71 1ojx h LYS 136 N 0.27 0.87 -0.11 1.57 3.64 -1.10 -2.81 116.57 118.89 1ojx h LYS 136 Ca 0.08 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1ojx h LYS 136 Cb 0.43 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1ojx h LYS 136 CO 0.01 0.57 0.00 1.19 -2.27 0.00 0.00 179.45 178.96 1ojx n PHE 137 N -4.65 0.13 -3.62 1.91 3.72 -0.28 -4.97 117.46 109.70 1ojx n PHE 137 Ca 0.09 -0.06 -0.22 0.00 -0.05 0.00 0.00 57.45 57.20 1ojx n PHE 137 Cb 0.11 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.71 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 0.71 -3.31 -4.23 4.37 2.03 -0.49 -5.02 116.55 110.61 1ojx n ASP 138 Ca 0.17 -0.68 -0.33 0.00 0.52 0.00 0.00 54.79 54.47 1ojx n ASP 138 Cb 0.45 -4.63 -0.15 0.00 -0.72 0.00 0.00 41.12 36.06 1ojx n ASP 138 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1ojx s LEU 139 N -6.82 2.42 0.47 -2.67 2.96 -0.44 -5.04 118.68 109.55 1ojx s LEU 139 Ca 0.25 -0.51 -0.24 0.00 -0.22 0.00 0.00 54.13 53.41 1ojx s LEU 139 Cb -0.12 -1.55 -0.08 0.00 0.50 0.00 0.00 46.19 44.94 1ojx s LEU 139 CO 0.77 0.05 1.23 -2.65 -1.32 0.00 0.00 176.35 174.43 1ojx n PRO 140 N 4.27 1.71 -3.72 0.98 -0.02 -1.26 -4.54 135.00 132.42 1ojx n PRO 140 Ca -0.19 0.62 -0.37 0.00 -2.02 0.00 0.00 63.50 61.53 1ojx n PRO 140 Cb 0.51 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.94 3.84 -0.26 2.45 2.96 -1.26 -1.48 118.68 122.99 1ojx s LEU 141 Ca 0.65 -0.03 -0.06 0.00 -0.22 0.00 0.00 54.13 54.47 1ojx s LEU 141 Cb -0.48 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.17 1ojx s LEU 141 CO 0.55 0.01 0.03 -0.69 -1.32 0.00 0.00 176.35 174.93 1ojx s VAL 142 N 1.36 3.80 -0.23 1.68 1.01 -0.03 -1.33 120.40 126.66 1ojx s VAL 142 Ca 0.06 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.45 1ojx s VAL 142 Cb -0.15 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1ojx s VAL 142 CO 0.06 0.27 0.12 -0.69 0.00 0.00 0.00 175.10 174.85 1ojx s VAL 143 N 1.51 4.95 -0.42 2.92 1.01 -0.70 -1.71 120.40 127.96 1ojx s VAL 143 Ca 0.04 0.04 -0.26 0.00 0.00 0.00 0.00 61.98 61.81 1ojx s VAL 143 Cb -0.16 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1ojx s VAL 143 CO 0.01 0.36 0.92 0.26 0.00 0.00 0.00 175.10 176.64 1ojx s TRP 144 N 1.14 2.99 -0.44 5.22 0.23 -0.34 -1.20 118.94 126.54 1ojx s TRP 144 Ca 0.06 0.55 -0.08 0.00 -2.03 0.00 0.00 56.10 54.60 1ojx s TRP 144 Cb -0.14 -3.83 0.10 0.00 0.03 0.00 0.00 33.47 29.64 1ojx s TRP 144 CO 0.04 -0.98 0.28 0.45 0.96 0.00 0.00 176.95 177.71 1ojx s SER 145 N 2.10 5.57 -0.56 2.95 0.15 -0.64 -1.16 113.70 122.10 1ojx s SER 145 Ca 0.37 -1.79 0.04 0.00 0.70 0.00 0.00 55.95 55.27 1ojx s SER 145 Cb -0.11 -1.96 0.15 0.00 -1.71 0.00 0.00 66.02 62.39 1ojx s SER 145 CO 0.23 -0.60 0.35 -0.31 1.20 0.00 0.00 173.24 174.11 1ojx s TYR 146 N 1.33 2.83 0.14 3.44 2.02 -0.85 -4.64 117.35 121.63 1ojx s TYR 146 Ca 0.05 -2.98 -0.35 0.00 -0.37 0.00 0.00 57.07 53.43 1ojx s TYR 146 Cb -0.24 -2.36 -0.15 0.00 -0.40 0.00 0.00 41.96 38.81 1ojx s TYR 146 CO -0.01 -0.68 1.43 -2.30 -1.57 0.00 0.00 175.55 172.42 1ojx n PRO 147 N 2.74 1.64 -3.64 -1.71 -0.02 -1.26 -4.11 135.00 128.64 1ojx n PRO 147 Ca 0.14 0.59 -0.10 0.00 -2.02 0.00 0.00 63.50 62.11 1ojx n PRO 147 Cb 0.35 -2.27 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 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 0.50 0.57 0.11 -0.52 3.52 -0.73 -4.89 118.95 117.51 1ojx s ARG 148 Ca 0.80 0.68 0.00 0.00 -0.13 0.00 0.00 55.73 57.08 1ojx s ARG 148 Cb -0.80 0.27 0.00 0.00 -1.56 0.00 0.00 34.95 32.86 1ojx s ARG 148 CO 0.44 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.27 1ojx n GLY 149 N 2.35 -2.80 7.00 8.12 0.00 -1.26 -1.94 105.19 116.66 1ojx n GLY 149 Ca -0.13 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.56 3.35 0.12 -0.02 0.00 -1.08 -1.87 105.19 105.13 1ojx n GLY 150 Ca 0.00 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.08 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 0.81 -2.23 1.61 5.02 -1.26 -4.88 118.16 131.22 1ojx n LYS 151 Ca 0.00 -0.25 -0.43 0.00 -2.02 0.00 0.00 58.31 55.62 1ojx n LYS 151 Cb 0.00 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.49 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 -2.36 3.94 0.00 -0.18 1.01 -0.78 -4.86 120.40 117.17 1ojx s VAL 152 Ca 0.33 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.47 1ojx s VAL 152 Cb 0.20 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.84 1ojx s VAL 152 CO 0.44 -0.09 0.00 1.33 0.00 0.00 0.00 175.10 176.78 1ojx n VAL 153 N 5.35 0.00 -3.73 2.92 0.24 -1.26 -4.53 118.33 117.32 1ojx n VAL 153 Ca 0.15 -0.02 -0.29 0.00 -2.04 0.00 0.00 64.34 62.15 1ojx n VAL 153 Cb 0.44 0.43 -0.16 0.00 -1.47 0.00 0.00 33.84 33.08 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 -1.60 3.50 0.43 -1.34 3.84 -1.26 -5.02 114.94 113.49 1ojx s ASN 154 Ca 0.00 -1.23 0.29 0.00 0.21 0.00 0.00 52.86 52.12 1ojx s ASN 154 Cb 0.00 -0.72 1.04 0.00 -0.55 0.00 0.00 41.25 41.02 1ojx s ASN 154 CO 0.00 -0.36 1.83 -0.33 -2.79 0.00 0.00 177.10 175.45 1ojx h GLU 155 N 8.17 0.00 -0.47 0.43 5.08 -1.93 -2.92 114.58 122.95 1ojx h GLU 155 Ca -0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1ojx h GLU 155 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1ojx h GLU 155 CO 0.41 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.67 1ojx n THR 156 N -2.81 0.72 -1.82 1.13 -2.24 -1.26 -4.44 114.28 103.56 1ojx n THR 156 Ca 0.02 -0.86 -0.41 0.00 -2.27 0.00 0.00 64.05 60.54 1ojx n THR 156 Cb 0.34 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.20 3.48 0.23 6.98 0.00 -1.10 -4.41 121.76 125.73 1ojx s ALA 157 Ca 0.38 1.53 -0.08 0.00 0.00 0.00 0.00 51.96 53.79 1ojx s ALA 157 Cb 0.21 -3.60 0.38 0.00 0.00 0.00 0.00 23.12 20.11 1ojx s ALA 157 CO 0.28 -1.08 1.64 -1.35 0.00 0.00 0.00 175.76 175.26 1ojx h PRO 158 N 2.83 0.10 -0.09 0.00 0.11 -1.92 -1.35 132.00 131.68 1ojx h PRO 158 Ca -0.51 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.52 1ojx h PRO 158 Cb 1.25 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1ojx h PRO 158 CO 0.63 0.07 -0.27 1.05 -0.21 0.00 0.00 178.00 179.27 1ojx h GLU 159 N 0.11 0.17 0.07 1.05 9.09 -1.96 -2.14 114.58 120.96 1ojx h GLU 159 Ca 0.38 -0.05 -0.20 0.00 0.05 0.00 0.00 59.36 59.54 1ojx h GLU 159 Cb 0.65 -0.01 0.02 0.00 -1.65 0.00 0.00 28.75 27.75 1ojx h GLU 159 CO -0.62 0.43 -0.81 0.82 0.05 0.00 0.00 179.01 178.87 1ojx h ILE 160 N 0.15 1.42 -0.27 -1.06 1.08 -1.60 -2.37 117.51 114.86 1ojx h ILE 160 Ca 0.02 -2.30 -0.08 0.00 -0.39 0.00 0.00 64.86 62.11 1ojx h ILE 160 Cb 0.56 2.79 -0.01 0.00 -3.07 0.00 0.00 36.82 37.09 1ojx h ILE 160 CO 0.04 0.67 -0.18 0.58 -0.69 0.00 0.00 178.15 178.57 1ojx h VAL 161 N -0.08 1.24 -0.49 1.67 2.07 -1.31 -0.96 116.25 118.39 1ojx h VAL 161 Ca -0.12 -1.12 -0.13 0.00 0.82 0.00 0.00 66.70 66.14 1ojx h VAL 161 Cb 1.55 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1ojx h VAL 161 CO 0.16 0.36 -0.21 0.00 0.02 0.00 0.00 177.57 177.90 1ojx h ALA 162 N 1.38 0.68 -0.50 1.67 0.00 -1.42 -1.97 119.26 119.10 1ojx h ALA 162 Ca 0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1ojx h ALA 162 Cb 0.57 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ojx h ALA 162 CO 0.04 0.67 0.28 -0.92 0.00 0.00 0.00 179.25 179.32 1ojx h TYR 163 N 0.86 0.68 -0.43 0.00 -0.00 -1.19 -1.41 116.97 115.48 1ojx h TYR 163 Ca 0.11 -0.01 0.07 0.00 -0.00 0.00 0.00 58.73 58.90 1ojx h TYR 163 Cb 0.79 -0.22 -0.06 0.00 -0.00 0.00 0.00 36.73 37.24 1ojx h TYR 163 CO 0.05 0.49 0.05 0.00 -0.00 0.00 0.00 178.16 178.75 1ojx h ALA 164 N 1.12 0.44 -0.37 1.82 0.00 -0.98 -0.49 119.26 120.80 1ojx h ALA 164 Ca 0.18 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1ojx h ALA 164 Cb 0.03 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1ojx h ALA 164 CO -0.03 -0.35 0.08 0.00 0.00 0.00 0.00 179.25 178.94 1ojx h ALA 165 N 1.35 0.49 -0.55 0.00 0.00 -1.17 -2.82 119.26 116.57 1ojx h ALA 165 Ca 0.21 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 1ojx h ALA 165 Cb 0.29 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ojx h ALA 165 CO -0.31 0.18 -0.06 -0.09 0.00 0.00 0.00 179.25 178.96 1ojx h ARG 166 N 0.45 0.99 -0.71 0.00 9.65 -0.88 -2.69 114.38 121.19 1ojx h ARG 166 Ca 0.11 -0.34 0.01 0.00 -1.10 0.00 0.00 59.98 58.66 1ojx h ARG 166 Cb 0.33 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 1ojx h ARG 166 CO 0.00 1.01 0.47 0.82 2.80 0.00 0.00 179.97 185.07 1ojx h ILE 167 N 0.89 1.18 -0.58 1.20 2.04 -1.01 -1.15 117.51 120.09 1ojx h ILE 167 Ca 0.15 -0.34 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1ojx h ILE 167 Cb 0.61 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1ojx h ILE 167 CO 0.04 0.18 0.26 0.00 0.00 0.00 0.00 178.15 178.62 1ojx h ALA 168 N 1.26 0.75 -0.14 1.87 0.00 -1.31 -1.00 119.26 120.68 1ojx h ALA 168 Ca 0.26 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1ojx h ALA 168 Cb -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1ojx h ALA 168 CO -0.06 0.34 0.01 1.25 0.00 0.00 0.00 179.25 180.80 1ojx h LEU 169 N 0.80 -0.03 -1.45 0.00 5.85 -1.15 -1.90 115.31 117.44 1ojx h LEU 169 Ca 0.20 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 1ojx h LEU 169 Cb 0.16 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1ojx h LEU 169 CO -0.02 0.01 0.24 -0.33 -0.34 0.00 0.00 178.44 178.00 1ojx h GLU 170 N 0.06 0.62 -0.00 1.25 4.39 -0.70 -2.97 114.58 117.23 1ojx h GLU 170 Ca 0.06 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1ojx h GLU 170 Cb 0.07 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 1ojx h GLU 170 CO -0.10 0.46 -0.32 1.28 -1.16 0.00 0.00 179.01 179.17 1ojx n LEU 171 N -4.42 0.45 0.00 1.33 4.77 -0.43 -4.94 117.00 113.77 1ojx n LEU 171 Ca 0.04 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1ojx n LEU 171 Cb 0.10 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1ojx n LEU 171 CO 0.36 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1ojx n GLY 172 N 1.45 1.35 3.71 -0.72 0.00 -1.12 -4.99 105.19 104.88 1ojx n GLY 172 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.61 1.50 0.05 4.61 0.00 -0.73 -4.91 120.51 120.41 1ojx n ALA 173 Ca 0.00 0.37 0.03 0.00 0.00 0.00 0.00 53.44 53.84 1ojx n ALA 173 Cb 0.00 -2.29 -0.06 0.00 0.00 0.00 0.00 19.45 17.09 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 1.00 0.84 -3.74 0.00 8.00 -0.44 -4.79 116.55 117.42 1ojx n ASP 174 Ca 0.05 0.36 -0.10 0.00 0.71 0.00 0.00 54.79 55.81 1ojx n ASP 174 Cb 0.36 0.27 -0.05 0.00 -0.02 0.00 0.00 41.12 41.67 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 -3.04 -0.65 0.04 2.24 0.00 -1.08 -4.36 121.76 114.91 1ojx s ALA 175 Ca -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1ojx s ALA 175 Cb 0.09 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.86 1ojx s ALA 175 CO 0.81 -0.63 -0.03 0.00 0.00 0.00 0.00 175.76 175.90 1ojx s MET 176 N -3.85 0.53 -0.10 0.00 0.23 -0.84 -1.72 119.30 113.54 1ojx s MET 176 Ca 0.06 -1.03 0.01 0.00 -1.03 0.00 0.00 55.69 53.69 1ojx s MET 176 Cb 0.02 0.16 0.02 0.00 -1.53 0.00 0.00 34.83 33.50 1ojx s MET 176 CO -0.09 -0.09 -0.12 0.21 -2.03 0.00 0.00 175.02 172.91 1ojx s LYS 177 N -3.14 1.85 0.19 3.16 2.20 -0.34 -0.36 119.74 123.29 1ojx s LYS 177 Ca -0.00 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.21 1ojx s LYS 177 Cb 0.02 -1.69 -0.05 0.00 -1.51 0.00 0.00 37.83 34.61 1ojx s LYS 177 CO -0.07 -0.14 0.05 0.96 -0.36 0.00 0.00 175.35 175.79 1ojx s ILE 178 N 1.24 0.47 0.35 5.43 -4.36 -0.82 -1.62 121.20 121.89 1ojx s ILE 178 Ca -0.03 -1.98 -0.23 0.00 -0.26 0.00 0.00 60.65 58.15 1ojx s ILE 178 Cb -0.14 -2.29 -0.10 0.00 1.25 0.00 0.00 42.46 41.18 1ojx s ILE 178 CO -0.04 -0.29 0.92 -0.54 0.24 0.00 0.00 174.94 175.23 1ojx s LYS 179 N -4.00 4.40 0.28 0.37 1.02 -1.26 -0.42 119.74 120.14 1ojx s LYS 179 Ca 0.29 1.18 -0.29 0.00 0.02 0.00 0.00 55.97 57.18 1ojx s LYS 179 Cb 0.07 -2.57 -0.09 0.00 -0.52 0.00 0.00 37.83 34.72 1ojx s LYS 179 CO 0.07 0.17 1.04 -0.47 -0.92 0.00 0.00 175.35 175.24 1ojx s TYR 180 N -1.83 3.68 -0.51 3.18 5.04 -1.26 -4.90 117.35 120.75 1ojx s TYR 180 Ca 0.54 1.77 0.25 0.00 -2.44 0.00 0.00 57.07 57.18 1ojx s TYR 180 Cb -0.15 -3.16 0.56 0.00 0.35 0.00 0.00 41.96 39.56 1ojx s TYR 180 CO 0.19 -0.22 1.69 1.79 -1.34 0.00 0.00 175.55 177.66 1ojx h THR 181 N 3.00 0.00 0.00 4.34 1.35 -1.94 -3.45 112.91 116.21 1ojx h THR 181 Ca -0.46 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1ojx h THR 181 Cb 1.21 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 69.40 1ojx h THR 181 CO 0.67 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.55 1ojx n GLY 182 N 1.09 0.32 3.19 5.82 0.00 -1.26 -4.87 105.19 109.47 1ojx n GLY 182 Ca 0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.09 -0.16 0.34 1.61 -4.77 -1.26 -5.06 116.67 105.28 1ojx s ASP 183 Ca 0.00 0.12 0.08 0.00 -3.30 0.00 0.00 52.55 49.45 1ojx s ASP 183 Cb 0.00 0.35 0.63 0.00 -1.09 0.00 0.00 42.92 42.81 1ojx s ASP 183 CO 0.00 -0.35 1.82 1.55 0.70 0.00 0.00 175.17 178.90 1ojx h PRO 184 N 4.39 0.27 0.13 2.11 0.13 -1.98 -2.40 132.00 134.65 1ojx h PRO 184 Ca -0.29 -0.09 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 1ojx h PRO 184 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1ojx h PRO 184 CO 0.38 0.49 -0.06 -0.22 -0.23 0.00 0.00 178.00 178.36 1ojx h LYS 185 N 0.25 -0.17 -0.10 0.86 3.64 -1.97 -0.90 116.57 118.18 1ojx h LYS 185 Ca 0.04 0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 1ojx h LYS 185 Cb 0.55 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1ojx h LYS 185 CO 0.04 0.03 -0.45 1.79 -2.27 0.00 0.00 179.45 178.59 1ojx h THR 186 N -0.36 1.33 -0.03 1.00 1.35 -1.99 -2.96 112.91 111.25 1ojx h THR 186 Ca -0.02 -1.61 -0.09 0.00 -0.55 0.00 0.00 66.41 64.14 1ojx h THR 186 Cb 0.29 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 1ojx h THR 186 CO 0.03 0.48 -0.42 0.15 -0.25 0.00 0.00 175.52 175.51 1ojx h PHE 187 N 0.19 0.07 0.00 4.73 3.57 -1.32 -2.85 116.94 121.33 1ojx h PHE 187 Ca 0.01 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 1ojx h PHE 187 Cb 0.87 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1ojx h PHE 187 CO 0.01 0.47 -0.23 0.66 -2.23 0.00 0.00 178.31 176.99 1ojx h SER 188 N 0.05 0.00 -0.25 0.41 4.64 -0.99 -1.70 113.55 115.72 1ojx h SER 188 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1ojx h SER 188 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1ojx h SER 188 CO 0.06 0.23 -0.56 -0.25 -0.87 0.00 0.00 176.83 175.44 1ojx h TRP 189 N 0.00 1.05 -0.78 4.77 2.91 -1.50 -1.42 115.95 120.99 1ojx h TRP 189 Ca -0.00 -0.39 0.00 0.00 1.13 0.00 0.00 58.89 59.63 1ojx h TRP 189 Cb 0.55 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 28.97 1ojx h TRP 189 CO 0.00 1.22 0.49 0.00 -1.03 0.00 0.00 178.44 179.12 1ojx h ALA 190 N 0.65 0.99 -0.72 2.65 0.00 -1.39 -1.95 119.26 119.49 1ojx h ALA 190 Ca 0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1ojx h ALA 190 Cb 1.17 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1ojx h ALA 190 CO 0.12 0.44 0.25 0.28 0.00 0.00 0.00 179.25 180.34 1ojx h VAL 191 N 1.06 1.26 -0.36 0.00 2.07 -1.25 -2.56 116.25 116.47 1ojx h VAL 191 Ca 0.28 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1ojx h VAL 191 Cb -0.08 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1ojx h VAL 191 CO -0.06 0.34 0.14 0.50 0.02 0.00 0.00 177.57 178.51 1ojx h LYS 192 N 1.05 0.54 0.00 1.57 1.63 -0.95 -2.66 116.57 117.75 1ojx h LYS 192 Ca 0.24 -0.10 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 1ojx h LYS 192 Cb 0.27 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1ojx h LYS 192 CO -0.01 0.52 0.00 -0.39 -3.45 0.00 0.00 179.45 176.12 1ojx h VAL 193 N 0.43 0.00 0.00 2.00 -1.51 -1.29 -1.88 116.25 114.00 1ojx h VAL 193 Ca 0.12 -0.54 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 1ojx h VAL 193 Cb 0.19 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.82 1ojx h VAL 193 CO -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.33 1ojx n ALA 194 N -1.91 1.96 -0.87 5.19 0.00 -0.97 -4.66 120.51 119.24 1ojx n ALA 194 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ojx n ALA 194 Cb 0.38 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.45 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 0.64 3.71 0.00 0.00 0.00 -0.71 -1.93 105.19 106.91 1ojx n GLY 195 Ca 0.05 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.18 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 14.00 0.29 -3.34 1.61 5.02 -1.26 -4.73 118.16 129.76 1ojx n LYS 196 Ca 0.00 0.09 -0.39 0.00 -2.02 0.00 0.00 58.31 55.98 1ojx n LYS 196 Cb 0.00 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.42 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 -2.58 5.14 0.54 -0.18 1.01 -0.81 -5.06 120.40 118.46 1ojx s VAL 197 Ca 0.20 0.68 -0.20 0.00 0.00 0.00 0.00 61.98 62.66 1ojx s VAL 197 Cb 0.14 -3.74 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 1ojx s VAL 197 CO 0.32 0.13 1.15 -2.16 0.00 0.00 0.00 175.10 174.55 1ojx s PRO 198 N 2.14 3.34 -0.13 2.72 0.04 -1.26 -4.85 135.00 137.01 1ojx s PRO 198 Ca 0.17 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1ojx s PRO 198 Cb -0.16 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.32 1ojx s PRO 198 CO 0.10 -0.87 -0.14 0.08 0.04 0.00 0.00 177.00 176.21 1ojx s VAL 199 N -1.70 2.99 -0.12 -0.36 1.01 -1.26 -1.99 120.40 118.96 1ojx s VAL 199 Ca 0.72 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.98 1ojx s VAL 199 Cb -0.26 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 1ojx s VAL 199 CO 0.29 0.53 0.01 -0.76 0.00 0.00 0.00 175.10 175.17 1ojx s LEU 200 N 0.36 3.61 0.09 3.92 1.43 0.51 -1.00 118.68 127.59 1ojx s LEU 200 Ca -0.11 0.09 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 1ojx s LEU 200 Cb -0.16 -1.86 -0.06 0.00 0.03 0.00 0.00 46.19 44.14 1ojx s LEU 200 CO 0.06 0.29 1.16 -0.32 0.23 0.00 0.00 176.35 177.78 1ojx s MET 201 N -0.37 4.48 0.14 1.70 -2.45 -0.24 -1.95 119.30 120.61 1ojx s MET 201 Ca 0.08 1.74 -0.30 0.00 -1.25 0.00 0.00 55.69 55.95 1ojx s MET 201 Cb -0.12 -3.33 -0.07 0.00 1.25 0.00 0.00 34.83 32.55 1ojx s MET 201 CO 0.02 -0.16 1.27 0.45 1.05 0.00 0.00 175.02 177.64 1ojx s SER 202 N 0.74 6.98 0.03 1.11 0.15 0.44 -1.22 113.70 121.94 1ojx s SER 202 Ca 0.56 2.23 -0.28 0.00 0.70 0.00 0.00 55.95 59.16 1ojx s SER 202 Cb -0.29 -2.59 -0.17 0.00 -1.71 0.00 0.00 66.02 61.26 1ojx s SER 202 CO 0.31 -0.50 1.34 1.23 1.20 0.00 0.00 173.24 176.83 1ojx h GLY 203 N 6.06 -0.76 0.00 9.45 0.00 -1.71 -3.42 103.07 112.69 1ojx h GLY 203 Ca -0.43 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1ojx h GLY 203 CO 0.80 -0.28 0.00 0.61 0.00 0.00 0.00 176.54 177.67 1ojx n GLY 204 N -0.82 -3.66 3.62 4.60 0.00 -1.26 -4.97 105.19 102.69 1ojx n GLY 204 Ca -0.12 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.33 0.16 -1.70 1.61 -0.02 -1.26 -4.49 135.00 128.97 1ojx n PRO 205 Ca 0.00 0.12 -0.44 0.00 -2.02 0.00 0.00 63.50 61.17 1ojx n PRO 205 Cb 0.00 -2.27 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 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 -2.66 2.53 -1.78 -0.52 4.81 -1.26 -4.85 118.16 114.43 1ojx n LYS 206 Ca 0.12 0.91 -0.30 0.00 -0.87 0.00 0.00 58.31 58.17 1ojx n LYS 206 Cb 0.51 -2.72 0.07 0.00 0.02 0.00 0.00 35.03 32.90 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 0.99 3.19 0.13 3.15 -4.23 -1.26 -4.99 115.64 112.62 1ojx s THR 207 Ca 0.76 0.39 -0.15 0.00 -1.18 0.00 0.00 61.69 61.51 1ojx s THR 207 Cb -0.57 -3.30 -0.00 0.00 1.34 0.00 0.00 72.50 69.97 1ojx s THR 207 CO 0.35 -0.50 1.62 0.11 -0.54 0.00 0.00 174.62 175.66 1ojx h LYS 208 N -0.84 0.70 -5.64 3.99 1.57 -1.99 -3.44 116.57 110.92 1ojx h LYS 208 Ca -0.46 -0.18 -0.51 0.00 -1.87 0.00 0.00 60.65 57.63 1ojx h LYS 208 Cb 1.27 -0.09 -0.14 0.00 0.08 0.00 0.00 32.23 33.35 1ojx h LYS 208 CO 0.63 0.73 -0.69 0.95 -0.57 0.00 0.00 179.45 180.49 1ojx s THR 209 N -5.23 1.82 0.22 -0.16 -4.23 -1.26 -5.04 115.64 101.76 1ojx s THR 209 Ca -0.13 -2.18 -0.08 0.00 -1.18 0.00 0.00 61.69 58.13 1ojx s THR 209 Cb 0.10 -2.39 0.19 0.00 1.34 0.00 0.00 72.50 71.74 1ojx s THR 209 CO 0.78 -0.35 1.84 -0.33 -0.54 0.00 0.00 174.62 176.02 1ojx h GLU 210 N 2.29 1.21 0.00 3.99 5.08 -2.00 -3.02 114.58 122.13 1ojx h GLU 210 Ca -0.40 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 57.76 1ojx h GLU 210 Cb 1.24 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1ojx h GLU 210 CO 0.66 0.90 -0.25 1.49 -1.00 0.00 0.00 179.01 180.81 1ojx h GLU 211 N 1.21 0.00 -0.19 2.33 4.57 -1.98 -0.84 114.58 119.66 1ojx h GLU 211 Ca 0.30 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1ojx h GLU 211 Cb 0.05 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1ojx h GLU 211 CO -0.05 0.25 0.11 -0.44 -1.18 0.00 0.00 179.01 177.71 1ojx h ASP 212 N 0.00 0.24 -0.51 1.04 3.32 -1.94 -1.22 116.42 117.35 1ojx h ASP 212 Ca -0.00 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 1ojx h ASP 212 Cb 0.45 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1ojx h ASP 212 CO 0.03 0.23 0.04 0.15 -1.72 0.00 0.00 179.24 177.98 1ojx h PHE 213 N 0.22 0.94 -0.96 4.55 3.57 -1.41 -2.60 116.94 121.25 1ojx h PHE 213 Ca 0.07 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1ojx h PHE 213 Cb 0.04 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.49 1ojx h PHE 213 CO -0.04 0.86 0.60 -0.07 -2.23 0.00 0.00 178.31 177.43 1ojx h LEU 214 N 0.74 1.13 -0.70 0.59 3.38 -1.06 -1.61 115.31 117.78 1ojx h LEU 214 Ca 0.15 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1ojx h LEU 214 Cb 0.46 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1ojx h LEU 214 CO 0.02 0.85 0.17 0.50 0.09 0.00 0.00 178.44 180.07 1ojx h LYS 215 N 1.32 1.12 -0.24 1.13 3.64 -1.12 -0.88 116.57 121.53 1ojx h LYS 215 Ca 0.35 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1ojx h LYS 215 Cb -0.10 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.54 1ojx h LYS 215 CO -0.07 0.99 0.04 1.96 -2.27 0.00 0.00 179.45 180.10 1ojx h GLN 216 N 1.05 0.12 -0.80 1.90 4.20 -1.04 -1.46 115.11 119.08 1ojx h GLN 216 Ca 0.22 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.89 1ojx h GLN 216 Cb 0.37 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.09 1ojx h GLN 216 CO 0.00 0.08 0.39 0.28 -0.67 0.00 0.00 178.83 178.92 1ojx h VAL 217 N 0.13 1.25 -0.69 -0.54 2.07 -1.02 -0.91 116.25 116.54 1ojx h VAL 217 Ca 0.11 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1ojx h VAL 217 Cb 0.12 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 1ojx h VAL 217 CO -0.16 0.30 0.44 -0.33 0.02 0.00 0.00 177.57 177.84 1ojx h GLU 218 N 1.14 0.85 -0.51 1.57 5.08 -0.87 -1.78 114.58 120.06 1ojx h GLU 218 Ca 0.28 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1ojx h GLU 218 Cb 0.11 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1ojx h GLU 218 CO -0.04 0.56 0.31 0.78 -1.00 0.00 0.00 179.01 179.63 1ojx h GLY 219 N 0.88 0.74 0.68 -3.84 0.00 -0.55 -1.70 103.07 99.28 1ojx h GLY 219 Ca 0.27 -0.31 0.05 0.00 0.00 0.00 0.00 47.33 47.34 1ojx h GLY 219 CO -0.09 0.30 0.21 -2.08 0.00 0.00 0.00 176.54 174.88 1ojx h VAL 220 N 0.69 0.92 -0.35 4.60 2.07 -0.81 -1.40 116.25 121.97 1ojx h VAL 220 Ca 0.19 -0.14 -0.17 0.00 0.82 0.00 0.00 66.70 67.40 1ojx h VAL 220 Cb -0.02 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1ojx h VAL 220 CO -0.04 0.08 -0.43 -0.07 0.02 0.00 0.00 177.57 177.13 1ojx h LEU 221 N 0.42 0.99 -1.66 2.57 3.38 -1.24 -2.68 115.31 117.08 1ojx h LEU 221 Ca 0.21 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.76 1ojx h LEU 221 Cb 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1ojx h LEU 221 CO -0.17 1.28 0.33 -0.08 0.09 0.00 0.00 178.44 179.88 1ojx h GLU 222 N 0.72 0.40 -0.00 1.13 4.81 -1.06 -1.52 114.58 119.06 1ojx h GLU 222 Ca 0.05 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ojx h GLU 222 Cb 1.03 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1ojx h GLU 222 CO 0.10 0.27 -0.01 0.00 -0.73 0.00 0.00 179.01 178.64 1ojx n ALA 223 N -2.51 2.42 -0.27 2.92 0.00 -0.55 -4.91 120.51 117.61 1ojx n ALA 223 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ojx n ALA 223 Cb 0.25 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 1.41 0.84 3.79 0.00 0.00 -0.57 -4.38 105.19 106.28 1ojx n GLY 224 Ca 0.10 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 2.46 0.28 4.61 0.00 -1.04 -4.93 121.76 121.15 1ojx s ALA 225 Ca 0.00 0.19 0.08 0.00 0.00 0.00 0.00 51.96 52.23 1ojx s ALA 225 Cb 0.00 -3.23 0.39 0.00 0.00 0.00 0.00 23.12 20.28 1ojx s ALA 225 CO 0.00 -1.50 1.64 1.25 0.00 0.00 0.00 175.76 177.15 1ojx h LEU 226 N -0.91 0.12 0.00 0.00 5.85 -1.40 -3.44 115.31 115.53 1ojx h LEU 226 Ca -0.44 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1ojx h LEU 226 Cb 1.22 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1ojx h LEU 226 CO 0.54 0.64 0.00 0.61 -0.34 0.00 0.00 178.44 179.89 1ojx n GLY 227 N 0.09 -0.32 3.04 3.75 0.00 -1.22 -1.57 105.19 108.95 1ojx n GLY 227 Ca -0.02 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 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 -4.00 0.45 -0.37 -0.61 -4.36 -0.67 -1.08 121.20 110.57 1ojx s ILE 228 Ca 0.00 -0.95 -0.01 0.00 -0.26 0.00 0.00 60.65 59.43 1ojx s ILE 228 Cb 0.00 -0.52 0.09 0.00 1.25 0.00 0.00 42.46 43.29 1ojx s ILE 228 CO 0.00 -0.35 0.12 0.00 0.24 0.00 0.00 174.94 174.95 1ojx s ALA 229 N -1.25 3.02 -0.09 2.27 0.00 -0.36 -1.40 121.76 123.95 1ojx s ALA 229 Ca -0.10 -2.34 -0.01 0.00 0.00 0.00 0.00 51.96 49.51 1ojx s ALA 229 Cb -0.09 -2.20 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 1ojx s ALA 229 CO 0.00 -1.65 -0.04 0.54 0.00 0.00 0.00 175.76 174.62 1ojx s VAL 230 N 1.12 3.96 0.00 0.00 0.11 -0.28 -1.86 120.40 123.44 1ojx s VAL 230 Ca 0.05 -0.37 0.00 0.00 -2.93 0.00 0.00 61.98 58.73 1ojx s VAL 230 Cb -0.21 -2.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.98 1ojx s VAL 230 CO -0.04 0.58 0.00 0.61 -3.33 0.00 0.00 175.10 172.92 1ojx n GLY 231 N 2.46 0.64 0.37 6.54 0.00 -1.26 -1.02 105.19 112.92 1ojx n GLY 231 Ca -0.18 -0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 0.60 0.00 1.61 3.08 -1.86 -0.80 114.38 117.01 1ojx h ARG 232 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1ojx h ARG 232 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.91 1ojx h ARG 232 CO 0.00 0.40 0.00 0.09 -1.07 0.00 0.00 179.97 179.39 1ojx n ASN 233 N -4.68 0.00 -0.01 7.04 3.02 -1.26 -1.72 115.26 117.64 1ojx n ASN 233 Ca 0.23 0.09 -0.01 0.00 -0.03 0.00 0.00 54.58 54.85 1ojx n ASN 233 Cb 0.65 -0.33 -0.00 0.00 -0.61 0.00 0.00 39.78 39.48 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 -1.33 0.28 0.52 2.41 0.31 -0.39 -4.82 118.33 115.30 1ojx n VAL 234 Ca 0.09 0.33 0.12 0.00 -0.01 0.00 0.00 64.34 64.87 1ojx n VAL 234 Cb 0.18 -1.51 0.46 0.00 -0.91 0.00 0.00 33.84 32.06 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 -2.83 0.71 1.49 3.52 4.27 -0.67 -2.18 117.44 121.74 1ojx n TRP 235 Ca -0.02 0.25 0.15 0.00 -3.89 0.00 0.00 57.50 53.99 1ojx n TRP 235 Cb 0.07 -0.90 0.77 0.00 -1.36 0.00 0.00 31.31 29.89 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 -2.12 0.50 -3.63 -2.67 7.27 -0.70 -4.72 117.38 111.31 1ojx n GLN 236 Ca 0.04 -0.01 -0.35 0.00 0.07 0.00 0.00 57.00 56.74 1ojx n GLN 236 Cb 0.29 -1.50 -0.05 0.00 2.41 0.00 0.00 30.24 31.39 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 -2.51 3.72 0.40 3.69 0.52 -0.93 -4.45 118.95 119.40 1ojx s ARG 237 Ca 0.31 0.13 0.18 0.00 -0.52 0.00 0.00 55.73 55.82 1ojx s ARG 237 Cb 0.20 -3.06 0.83 0.00 0.52 0.00 0.00 34.95 33.45 1ojx s ARG 237 CO 0.45 0.61 1.83 0.00 0.02 0.00 0.00 175.30 178.21 1ojx h ARG 238 N 3.97 0.00 -1.22 3.54 3.08 -1.88 -2.60 114.38 119.28 1ojx h ARG 238 Ca -0.50 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 58.85 1ojx h ARG 238 Cb 1.20 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.96 1ojx h ARG 238 CO 0.65 0.33 0.91 -0.40 -1.07 0.00 0.00 179.97 180.40 1ojx n ASP 239 N -3.75 7.66 -0.18 7.04 5.75 -1.26 -4.80 116.55 127.01 1ojx n ASP 239 Ca -0.01 -3.80 -0.01 0.00 -0.01 0.00 0.00 54.79 50.96 1ojx n ASP 239 Cb 0.43 -1.00 0.08 0.00 -1.03 0.00 0.00 41.12 39.60 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 2.22 0.55 -0.25 2.12 0.00 -1.66 -1.63 119.26 120.62 1ojx h ALA 240 Ca 0.60 0.17 -0.12 0.00 0.00 0.00 0.00 54.91 55.56 1ojx h ALA 240 Cb 0.64 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ojx h ALA 240 CO 1.56 -0.38 -0.31 1.25 0.00 0.00 0.00 179.25 181.37 1ojx h LEU 241 N 0.13 0.70 -0.03 0.00 5.85 -1.89 -0.94 115.31 119.14 1ojx h LEU 241 Ca 0.29 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.52 1ojx h LEU 241 Cb 0.45 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1ojx h LEU 241 CO -0.47 1.06 -0.01 0.50 -0.34 0.00 0.00 178.44 179.18 1ojx h LYS 242 N 0.36 -0.01 -0.52 1.25 3.64 -1.88 -1.60 116.57 117.81 1ojx h LYS 242 Ca 0.03 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 1ojx h LYS 242 Cb 0.89 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.69 1ojx h LYS 242 CO 0.07 -0.00 -0.03 0.35 -2.27 0.00 0.00 179.45 177.57 1ojx h PHE 243 N -0.01 0.99 -0.96 1.91 3.57 -1.29 -2.38 116.94 118.77 1ojx h PHE 243 Ca 0.01 -0.17 0.07 0.00 3.53 0.00 0.00 57.97 61.42 1ojx h PHE 243 Cb 0.03 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 38.44 1ojx h PHE 243 CO -0.10 0.91 0.61 0.00 -2.23 0.00 0.00 178.31 177.50 1ojx h ALA 244 N 1.12 1.34 -0.09 2.41 0.00 -1.00 -1.34 119.26 121.70 1ojx h ALA 244 Ca 0.15 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1ojx h ALA 244 Cb 0.54 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1ojx h ALA 244 CO 0.03 0.36 -0.46 0.00 0.00 0.00 0.00 179.25 179.18 1ojx h ARG 245 N 1.09 0.23 -0.27 0.00 3.08 -0.90 -2.05 114.38 115.55 1ojx h ARG 245 Ca 0.42 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 60.21 1ojx h ARG 245 Cb 0.21 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1ojx h ARG 245 CO -0.19 0.65 -0.43 0.00 -1.07 0.00 0.00 179.97 178.94 1ojx h ALA 246 N 1.33 0.74 -0.37 0.04 0.00 -0.94 -2.27 119.26 117.79 1ojx h ALA 246 Ca 0.01 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1ojx h ALA 246 Cb 0.89 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1ojx h ALA 246 CO 0.07 0.66 0.21 -0.07 0.00 0.00 0.00 179.25 180.12 1ojx h LEU 247 N 0.54 0.45 -0.86 0.00 3.38 -1.05 -2.43 115.31 115.34 1ojx h LEU 247 Ca 0.04 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1ojx h LEU 247 Cb 0.97 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 1ojx h LEU 247 CO 0.09 0.39 0.56 0.00 0.09 0.00 0.00 178.44 179.57 1ojx h ALA 248 N 1.08 1.13 -0.84 1.53 0.00 -1.30 -0.89 119.26 119.97 1ojx h ALA 248 Ca 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ojx h ALA 248 Cb 0.03 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 1ojx h ALA 248 CO -0.02 0.43 0.50 1.49 0.00 0.00 0.00 179.25 181.65 1ojx h GLU 249 N 1.11 1.14 -0.03 0.00 4.57 -1.23 -0.67 114.58 119.46 1ojx h GLU 249 Ca 0.34 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1ojx h GLU 249 Cb -0.04 -0.24 -0.00 0.00 -0.16 0.00 0.00 28.75 28.31 1ojx h GLU 249 CO -0.10 0.80 -0.02 1.25 -1.18 0.00 0.00 179.01 179.76 1ojx h LEU 250 N 1.15 0.07 -0.05 1.64 5.85 -0.99 -1.60 115.31 121.38 1ojx h LEU 250 Ca 0.30 -0.44 -0.12 0.00 0.84 0.00 0.00 57.88 58.46 1ojx h LEU 250 Cb -0.04 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 40.98 1ojx h LEU 250 CO -0.06 0.49 -0.45 0.58 -0.34 0.00 0.00 178.44 178.67 1ojx h VAL 251 N -0.36 1.42 0.00 1.05 2.07 -1.12 -3.28 116.25 116.03 1ojx h VAL 251 Ca 0.01 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.64 1ojx h VAL 251 Cb 0.47 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.67 1ojx h VAL 251 CO 0.01 0.55 -0.45 -1.22 0.02 0.00 0.00 177.57 176.47 1ojx n TYR 252 N -4.32 0.03 0.00 1.57 4.01 -0.27 -4.80 117.16 113.39 1ojx n TYR 252 Ca -0.09 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 1ojx n TYR 252 Cb 0.58 -0.31 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1ojx n TYR 252 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81