#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 -0.80 1.20 3.38 -1.98 -2.79 115.31 114.33 1ojx h LEU 4 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1ojx h LEU 4 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1ojx h LEU 4 CO 0.00 0.29 0.44 0.74 0.09 0.00 0.00 178.44 179.99 1ojx h THR 5 N 0.00 1.24 -0.52 0.22 2.02 -1.96 -0.81 112.91 113.09 1ojx h THR 5 Ca -0.00 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.55 1ojx h THR 5 Cb 1.04 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1ojx h THR 5 CO 0.04 0.26 0.15 -0.33 0.37 0.00 0.00 175.52 176.01 1ojx h GLU 6 N 1.10 0.82 -0.29 6.66 5.08 -1.86 -1.26 114.58 124.84 1ojx h GLU 6 Ca 0.28 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1ojx h GLU 6 Cb 0.03 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1ojx h GLU 6 CO -0.05 0.77 0.16 -0.22 -1.00 0.00 0.00 179.01 178.68 1ojx h LYS 7 N 0.72 0.33 -0.60 2.33 3.64 -1.34 -1.87 116.57 119.78 1ojx h LYS 7 Ca 0.17 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.59 1ojx h LYS 7 Cb 0.30 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.99 1ojx h LYS 7 CO -0.00 0.22 0.30 0.35 -2.27 0.00 0.00 179.45 178.04 1ojx h PHE 8 N 0.34 0.54 -0.36 1.91 3.57 -0.87 -2.24 116.94 119.82 1ojx h PHE 8 Ca 0.12 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.52 1ojx h PHE 8 Cb 0.01 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.58 1ojx h PHE 8 CO -0.08 0.24 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.90 1ojx h LEU 9 N 0.55 0.76 -0.81 0.59 3.38 -1.03 -0.17 115.31 118.58 1ojx h LEU 9 Ca 0.28 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1ojx h LEU 9 Cb 0.22 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1ojx h LEU 9 CO -0.20 0.98 0.43 -0.09 0.09 0.00 0.00 178.44 179.65 1ojx h ARG 10 N 0.64 1.13 0.04 1.13 2.43 -1.06 -1.76 114.38 116.93 1ojx h ARG 10 Ca 0.08 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 59.00 1ojx h ARG 10 Cb 0.77 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1ojx h ARG 10 CO 0.06 0.85 -0.56 0.82 -1.51 0.00 0.00 179.97 179.62 1ojx h ILE 11 N 1.13 1.49 -0.03 1.20 2.04 -1.22 -3.36 117.51 118.76 1ojx h ILE 11 Ca 0.28 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.78 1ojx h ILE 11 Cb 0.05 3.07 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 1ojx h ILE 11 CO -0.04 0.59 0.00 0.49 0.00 0.00 0.00 178.15 179.19 1ojx n PHE 12 N -4.39 0.00 -2.70 1.37 3.72 -0.09 -4.57 117.46 110.80 1ojx n PHE 12 Ca -0.17 -0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.18 1ojx n PHE 12 Cb 0.64 -0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.26 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 1.18 2.36 0.11 4.37 0.00 -0.67 -4.50 120.51 123.35 1ojx n ALA 13 Ca 0.12 -1.97 0.16 0.00 0.00 0.00 0.00 53.44 51.75 1ojx n ALA 13 Cb 0.52 -0.93 0.69 0.00 0.00 0.00 0.00 19.45 19.73 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 2.18 0.00 -0.01 0.00 0.11 -1.68 -0.90 114.38 114.08 1ojx h ARG 14 Ca -0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.84 1ojx h ARG 14 Cb 1.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.34 1ojx h ARG 14 CO 0.11 0.00 -0.01 0.54 0.10 0.00 0.00 179.97 180.70 1ojx n ARG 15 N -4.37 1.54 0.00 0.08 1.74 -1.26 -4.93 116.66 109.46 1ojx n ARG 15 Ca 0.05 -0.82 0.00 0.00 -0.77 0.00 0.00 57.85 56.31 1ojx n ARG 15 Cb 0.41 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 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 1.16 3.33 3.32 -0.13 0.00 -0.34 -5.03 105.19 107.50 1ojx n GLY 16 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.81 1.34 -0.01 1.61 -0.14 -1.26 -4.97 119.74 115.50 1ojx s LYS 17 Ca 0.00 -1.69 0.01 0.00 -1.36 0.00 0.00 55.97 52.93 1ojx s LYS 17 Cb 0.00 -0.44 0.00 0.00 -1.68 0.00 0.00 37.83 35.71 1ojx s LYS 17 CO 0.00 -0.18 -0.04 0.45 -0.76 0.00 0.00 175.35 174.82 1ojx s SER 18 N -3.29 0.52 -0.13 2.83 0.15 -0.64 -4.52 113.70 108.62 1ojx s SER 18 Ca 0.31 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.90 1ojx s SER 18 Cb 0.07 -0.09 0.02 0.00 -1.71 0.00 0.00 66.02 64.31 1ojx s SER 18 CO 0.10 0.04 -0.15 -0.63 1.20 0.00 0.00 173.24 173.80 1ojx s ILE 19 N 0.03 1.53 -0.12 6.45 1.01 -1.26 -1.82 121.20 127.02 1ojx s ILE 19 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 60.65 60.01 1ojx s ILE 19 Cb -0.03 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 1ojx s ILE 19 CO -0.00 0.45 -0.08 -0.63 0.00 0.00 0.00 174.94 174.68 1ojx s ILE 20 N 1.24 3.58 -0.47 2.92 -1.09 -0.57 -1.07 121.20 125.74 1ojx s ILE 20 Ca -0.01 -0.49 -0.22 0.00 -2.23 0.00 0.00 60.65 57.70 1ojx s ILE 20 Cb -0.14 -2.51 0.03 0.00 -1.58 0.00 0.00 42.46 38.26 1ojx s ILE 20 CO -0.06 0.54 0.73 -0.22 -1.23 0.00 0.00 174.94 174.70 1ojx s LEU 21 N -0.05 4.43 0.04 2.97 2.96 0.02 -1.23 118.68 127.81 1ojx s LEU 21 Ca -0.00 -0.34 -0.26 0.00 -0.22 0.00 0.00 54.13 53.31 1ojx s LEU 21 Cb -0.13 -2.79 -0.05 0.00 0.50 0.00 0.00 46.19 43.72 1ojx s LEU 21 CO 0.03 -0.90 0.80 0.00 -1.32 0.00 0.00 176.35 174.96 1ojx s ALA 22 N 3.11 3.34 -0.28 5.97 0.00 -0.22 -1.37 121.76 132.30 1ojx s ALA 22 Ca 0.25 0.32 0.20 0.00 0.00 0.00 0.00 51.96 52.74 1ojx s ALA 22 Cb -0.14 -3.05 0.48 0.00 0.00 0.00 0.00 23.12 20.42 1ojx s ALA 22 CO 0.19 0.02 1.21 0.98 0.00 0.00 0.00 175.76 178.17 1ojx n TYR 23 N 2.95 0.43 1.13 0.00 9.36 -0.61 -4.31 117.16 126.10 1ojx n TYR 23 Ca -0.01 -2.06 0.10 0.00 3.32 0.00 0.00 57.90 59.25 1ojx n TYR 23 Cb 0.50 0.21 0.34 0.00 -0.63 0.00 0.00 39.34 39.76 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 -0.81 1.81 -0.05 2.98 5.75 -1.25 -4.58 116.55 120.41 1ojx n ASP 24 Ca 0.01 -1.76 0.11 0.00 -0.01 0.00 0.00 54.79 53.15 1ojx n ASP 24 Cb 0.82 -0.13 0.51 0.00 -1.03 0.00 0.00 41.12 41.29 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 2.35 0.40 -0.42 2.11 2.76 -1.94 -2.73 115.15 117.69 1ojx h HIS 25 Ca 0.00 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.16 1ojx h HIS 25 Cb 0.52 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.33 1ojx h HIS 25 CO 0.13 0.20 0.15 0.78 -1.30 0.00 0.00 177.93 177.89 1ojx h GLY 26 N 0.39 0.63 0.47 5.26 0.00 -1.81 0.14 103.07 108.15 1ojx h GLY 26 Ca 0.25 -0.31 -0.27 0.00 0.00 0.00 0.00 47.33 47.00 1ojx h GLY 26 CO -0.06 0.29 -1.43 1.19 0.00 0.00 0.00 176.54 176.52 1ojx h ILE 27 N 0.59 0.98 -0.38 2.60 2.10 -1.86 -3.05 117.51 118.49 1ojx h ILE 27 Ca 0.14 -2.36 -0.06 0.00 1.08 0.00 0.00 64.86 63.66 1ojx h ILE 27 Cb 0.14 2.63 -0.01 0.00 -1.09 0.00 0.00 36.82 38.49 1ojx h ILE 27 CO -0.01 0.67 0.00 -0.33 -1.08 0.00 0.00 178.15 177.40 1ojx h GLU 28 N -0.37 0.67 0.00 2.19 4.39 -1.18 -3.37 114.58 116.91 1ojx h GLU 28 Ca -0.32 -0.21 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1ojx h GLU 28 Cb 1.71 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.30 1ojx h GLU 28 CO 0.02 0.77 -0.42 0.72 -1.16 0.00 0.00 179.01 178.95 1ojx n HIS 29 N -4.47 0.00 0.00 4.33 8.25 0.35 -2.26 115.22 121.42 1ojx n HIS 29 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1ojx n HIS 29 Cb 0.28 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.38 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 1.54 -1.05 0.00 -1.41 0.00 -0.47 -4.66 105.19 99.14 1ojx n GLY 30 Ca 0.00 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.26 1.00 -0.35 1.61 -0.04 -1.26 -4.25 135.00 130.46 1ojx n PRO 31 Ca 0.00 -0.01 0.06 0.00 -0.04 0.00 0.00 63.50 63.51 1ojx n PRO 31 Cb 0.00 -1.40 0.24 0.00 -0.04 0.00 0.00 33.50 32.29 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 3.81 1.52 0.00 0.55 0.00 -1.97 -1.59 119.26 121.57 1ojx h ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ojx h ALA 32 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1ojx h ALA 32 CO 0.00 0.28 0.00 -0.44 0.00 0.00 0.00 179.25 179.09 1ojx h ASP 33 N 1.02 0.00 0.31 0.00 3.32 -1.92 -2.65 116.42 116.50 1ojx h ASP 33 Ca 0.46 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.50 1ojx h ASP 33 Cb 0.37 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 1ojx h ASP 33 CO -0.21 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 -0.03 4.55 0.04 -1.59 -3.23 116.94 116.68 1ojx h PHE 34 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 1ojx h PHE 34 Cb 0.59 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1ojx h PHE 34 CO 0.00 0.02 -0.26 0.52 -0.60 0.00 0.00 178.31 177.99 1ojx h MET 35 N 0.00 0.06 -0.26 1.51 2.86 -1.59 -2.68 114.93 114.83 1ojx h MET 35 Ca -0.00 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1ojx h MET 35 Cb 0.18 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 1ojx h MET 35 CO 0.00 0.32 -0.04 -0.44 1.06 0.00 0.00 176.91 177.82 1ojx h ASP 36 N 0.05 0.37 -2.58 1.22 3.32 -1.79 -3.29 116.42 113.72 1ojx h ASP 36 Ca 0.01 -0.07 -0.59 0.00 0.02 0.00 0.00 57.03 56.40 1ojx h ASP 36 Cb 0.49 -0.10 -0.39 0.00 0.22 0.00 0.00 39.33 39.56 1ojx h ASP 36 CO 0.04 0.46 -0.89 0.21 -1.72 0.00 0.00 179.24 177.34 1ojx s ASN 37 N -6.80 2.27 0.58 6.45 2.47 -1.15 -4.74 114.94 114.01 1ojx s ASN 37 Ca -0.07 -3.03 0.28 0.00 0.42 0.00 0.00 52.86 50.47 1ojx s ASN 37 Cb 0.16 -0.64 1.50 0.00 -1.45 0.00 0.00 41.25 40.82 1ojx s ASN 37 CO 0.75 -0.18 1.95 -0.65 -3.72 0.00 0.00 177.10 175.25 1ojx h PRO 38 N 5.87 0.00 0.00 0.43 0.11 -1.56 0.81 132.00 137.66 1ojx h PRO 38 Ca 0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1ojx h PRO 38 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1ojx h PRO 38 CO 0.41 0.00 -0.03 -0.44 -0.21 0.00 0.00 178.00 177.73 1ojx h ASP 39 N 0.00 0.00 0.00 -2.05 3.32 -1.95 -2.77 116.42 112.97 1ojx h ASP 39 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1ojx h ASP 39 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1ojx h ASP 39 CO -0.00 0.03 0.01 0.77 -1.72 0.00 0.00 179.24 178.33 1ojx h SER 40 N 0.00 0.00 0.77 6.45 4.64 -1.08 -0.99 113.55 123.34 1ojx h SER 40 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ojx h SER 40 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1ojx h SER 40 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1ojx n ALA 41 N -2.02 1.87 -2.58 5.18 0.00 -1.05 -4.69 120.51 117.22 1ojx n ALA 41 Ca -0.03 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1ojx n ALA 41 Cb 0.08 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.08 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 -3.49 6.01 0.56 0.00 -1.08 -0.38 -4.97 116.67 113.32 1ojx s ASP 42 Ca 0.08 -0.96 0.25 0.00 -0.52 0.00 0.00 52.55 51.40 1ojx s ASP 42 Cb 0.12 -2.13 1.56 0.00 -1.46 0.00 0.00 42.92 41.01 1ojx s ASP 42 CO 0.39 -0.45 2.15 -0.65 0.52 0.00 0.00 175.17 177.13 1ojx h PRO 43 N 8.59 0.00 -0.40 4.34 0.11 -1.85 -1.37 132.00 141.41 1ojx h PRO 43 Ca -0.27 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 1ojx h PRO 43 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1ojx h PRO 43 CO 0.72 0.00 0.17 0.93 -0.21 0.00 0.00 178.00 179.62 1ojx h GLU 44 N 0.00 0.59 -0.89 1.05 5.08 -1.93 -1.68 114.58 116.79 1ojx h GLU 44 Ca 0.05 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 1ojx h GLU 44 Cb 0.25 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 1ojx h GLU 44 CO -0.00 0.54 0.58 -0.92 -1.00 0.00 0.00 179.01 178.21 1ojx h TYR 45 N 0.50 1.03 -0.53 4.33 3.20 -1.54 -2.44 116.97 121.52 1ojx h TYR 45 Ca 0.13 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 1ojx h TYR 45 Cb 0.16 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1ojx h TYR 45 CO -0.01 0.53 -0.02 0.82 -1.64 0.00 0.00 178.16 177.85 1ojx h ILE 46 N 1.01 1.27 -0.67 1.81 1.08 -1.02 -2.17 117.51 118.82 1ojx h ILE 46 Ca 0.39 -1.13 -0.06 0.00 -0.39 0.00 0.00 64.86 63.67 1ojx h ILE 46 Cb 0.21 0.93 -0.03 0.00 -3.07 0.00 0.00 36.82 34.86 1ojx h ILE 46 CO -0.14 0.40 0.20 -0.07 -0.69 0.00 0.00 178.15 177.84 1ojx h LEU 47 N 0.82 0.99 -0.80 1.44 3.38 -1.17 -2.26 115.31 117.70 1ojx h LEU 47 Ca 0.15 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1ojx h LEU 47 Cb 0.56 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1ojx h LEU 47 CO 0.03 0.94 0.43 0.03 0.09 0.00 0.00 178.44 179.96 1ojx h ARG 48 N 0.98 1.13 -0.58 1.13 3.08 -1.35 -1.84 114.38 116.92 1ojx h ARG 48 Ca 0.21 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1ojx h ARG 48 Cb 0.32 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 1ojx h ARG 48 CO -0.00 0.84 0.23 1.25 -1.07 0.00 0.00 179.97 181.22 1ojx h LEU 49 N 1.12 0.81 -0.21 3.04 5.85 -1.21 0.15 115.31 124.86 1ojx h LEU 49 Ca 0.28 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1ojx h LEU 49 Cb 0.05 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1ojx h LEU 49 CO -0.04 0.76 0.04 0.00 -0.34 0.00 0.00 178.44 178.86 1ojx h ALA 50 N 1.08 0.28 -0.28 1.25 0.00 -1.24 -1.43 119.26 118.91 1ojx h ALA 50 Ca 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ojx h ALA 50 Cb 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ojx h ALA 50 CO -0.01 -0.05 0.17 -0.09 0.00 0.00 0.00 179.25 179.26 1ojx h ARG 51 N 0.15 0.37 0.00 0.00 2.43 -1.24 -1.77 114.38 114.33 1ojx h ARG 51 Ca 0.06 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 1ojx h ARG 51 Cb 0.31 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1ojx h ARG 51 CO 0.00 0.29 -0.23 -0.44 -1.51 0.00 0.00 179.97 178.08 1ojx h ASP 52 N 0.35 0.00 0.38 -3.80 3.32 -0.60 -2.79 116.42 113.28 1ojx h ASP 52 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ojx h ASP 52 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1ojx h ASP 52 CO -0.02 0.23 -0.64 0.00 -1.72 0.00 0.00 179.24 177.10 1ojx n ALA 53 N -2.21 3.84 -1.56 3.45 0.00 -0.55 -4.98 120.51 118.49 1ojx n ALA 53 Ca 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 53.44 53.03 1ojx n ALA 53 Cb 0.45 -1.03 -0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 1.50 0.38 3.81 0.00 0.00 -0.98 -4.73 105.19 105.17 1ojx n GLY 54 Ca 0.05 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.02 2.86 -0.16 1.61 0.08 -0.70 -5.01 117.98 114.64 1ojx s PHE 55 Ca 0.00 1.12 0.17 0.00 0.12 0.00 0.00 56.93 58.35 1ojx s PHE 55 Cb 0.00 -3.13 -0.04 0.00 -0.57 0.00 0.00 43.02 39.27 1ojx s PHE 55 CO 0.00 -1.75 1.06 -0.44 -0.10 0.00 0.00 175.22 173.99 1ojx h ASP 56 N -1.07 0.00 -5.21 1.36 3.32 -1.40 -3.45 116.42 109.96 1ojx h ASP 56 Ca -0.47 0.00 0.16 0.00 0.02 0.00 0.00 57.03 56.74 1ojx h ASP 56 Cb 1.27 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.73 1ojx h ASP 56 CO 0.60 0.45 0.48 -0.83 -1.72 0.00 0.00 179.24 178.22 1ojx s GLY 57 N -4.62 -0.27 0.12 2.75 0.00 -1.21 -4.08 107.32 100.01 1ojx s GLY 57 Ca -0.00 0.26 0.06 0.00 0.00 0.00 0.00 44.72 45.04 1ojx s GLY 57 CO 0.78 0.06 -0.14 -1.34 0.00 0.00 0.00 173.10 172.46 1ojx s VAL 58 N -3.27 1.31 -0.20 1.40 -7.23 -0.69 -0.80 120.40 110.91 1ojx s VAL 58 Ca 0.11 -1.69 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1ojx s VAL 58 Cb -0.01 -1.50 0.01 0.00 0.56 0.00 0.00 36.38 35.44 1ojx s VAL 58 CO 0.00 -0.41 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.56 1ojx s VAL 59 N -2.09 2.53 0.08 1.32 1.01 -0.47 -1.01 120.40 121.76 1ojx s VAL 59 Ca 0.08 -0.81 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1ojx s VAL 59 Cb -0.05 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1ojx s VAL 59 CO 0.03 0.47 -0.19 -0.36 0.00 0.00 0.00 175.10 175.05 1ojx s PHE 60 N 1.35 1.63 0.82 5.22 0.08 -1.02 -1.58 117.98 124.49 1ojx s PHE 60 Ca 0.05 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.58 1ojx s PHE 60 Cb -0.14 -0.92 0.08 0.00 -0.57 0.00 0.00 43.02 41.48 1ojx s PHE 60 CO -0.09 0.14 1.09 -0.65 -0.10 0.00 0.00 175.22 175.61 1ojx s GLN 61 N -1.66 1.88 0.31 0.44 -1.52 -1.26 -1.59 119.66 116.26 1ojx s GLN 61 Ca 0.05 0.85 0.04 0.00 -1.95 0.00 0.00 55.36 54.34 1ojx s GLN 61 Cb -0.10 -1.88 0.63 0.00 -0.22 0.00 0.00 33.01 31.45 1ojx s GLN 61 CO 0.03 -1.81 1.86 0.07 -0.25 0.00 0.00 175.29 175.19 1ojx h ARG 62 N -1.24 0.88 -0.38 2.91 0.11 -1.94 -2.15 114.38 112.57 1ojx h ARG 62 Ca -0.47 -0.05 -0.15 0.00 0.10 0.00 0.00 59.98 59.41 1ojx h ARG 62 Cb 1.26 -0.20 -0.01 0.00 1.11 0.00 0.00 29.97 32.13 1ojx h ARG 62 CO 0.56 0.58 -0.35 0.78 0.10 0.00 0.00 179.97 181.63 1ojx h GLY 63 N 0.91 0.97 0.93 0.08 0.00 -1.97 -0.56 103.07 103.41 1ojx h GLY 63 Ca 0.47 -0.96 -0.10 0.00 0.00 0.00 0.00 47.33 46.74 1ojx h GLY 63 CO -0.23 0.86 -0.24 -2.22 0.00 0.00 0.00 176.54 174.72 1ojx h ILE 64 N 0.73 1.31 -0.40 2.60 1.08 -1.89 -2.47 117.51 118.47 1ojx h ILE 64 Ca 0.07 -1.39 0.01 0.00 -0.39 0.00 0.00 64.86 63.16 1ojx h ILE 64 Cb 0.93 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.26 1ojx h ILE 64 CO 0.09 0.44 0.25 0.00 -0.69 0.00 0.00 178.15 178.23 1ojx h ALA 65 N 0.70 0.50 -0.47 1.87 0.00 -1.22 -0.18 119.26 120.47 1ojx h ALA 65 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ojx h ALA 65 Cb 0.79 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1ojx h ALA 65 CO 0.06 -0.08 0.15 1.49 0.00 0.00 0.00 179.25 180.87 1ojx h GLU 66 N 0.50 0.72 0.00 0.00 4.81 -1.10 -0.66 114.58 118.86 1ojx h GLU 66 Ca 0.15 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1ojx h GLU 66 Cb -0.02 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1ojx h GLU 66 CO -0.06 0.69 -0.57 0.87 -0.73 0.00 0.00 179.01 179.21 1ojx h LYS 67 N 0.62 0.00 0.00 1.92 6.56 -1.37 -3.42 116.57 120.87 1ojx h LYS 67 Ca 0.15 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.74 1ojx h LYS 67 Cb 0.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.92 1ojx h LYS 67 CO -0.01 0.57 -0.58 0.66 -2.06 0.00 0.00 179.45 178.03 1ojx n TYR 68 N -3.27 0.00 -2.03 -1.35 4.01 -0.09 -5.06 117.16 109.37 1ojx n TYR 68 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.34 1ojx n TYR 68 Cb 0.75 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.75 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 -1.41 3.06 -0.03 -0.72 5.04 -0.26 -4.91 117.35 118.13 1ojx s TYR 69 Ca 0.00 1.00 0.04 0.00 -2.44 0.00 0.00 57.07 55.67 1ojx s TYR 69 Cb 0.00 -3.80 0.06 0.00 0.35 0.00 0.00 41.96 38.57 1ojx s TYR 69 CO 0.00 -2.65 0.90 -0.40 -1.34 0.00 0.00 175.55 172.06 1ojx n ASP 70 N 2.64 1.22 0.00 4.32 5.75 -1.26 -4.96 116.55 124.25 1ojx n ASP 70 Ca 0.08 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1ojx n ASP 70 Cb 0.40 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 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 -0.49 0.69 0.18 6.12 0.00 -1.26 -4.92 105.19 105.51 1ojx n GLY 71 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.81 1.61 4.64 -1.99 -3.44 113.55 110.57 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 0.04 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 61.85 1ojx h SER 72 CO 0.00 0.14 -0.73 -0.69 -0.87 0.00 0.00 176.83 174.68 1ojx s VAL 73 N -3.17 0.13 0.30 0.95 1.01 -1.26 -4.95 120.40 113.41 1ojx s VAL 73 Ca 0.04 -0.09 -0.29 0.00 0.00 0.00 0.00 61.98 61.65 1ojx s VAL 73 Cb 0.07 -0.12 -0.13 0.00 0.00 0.00 0.00 36.38 36.19 1ojx s VAL 73 CO 0.72 0.03 1.21 -2.65 0.00 0.00 0.00 175.10 174.40 1ojx n PRO 74 N 3.01 1.81 -4.49 2.72 -0.02 -1.26 -4.78 135.00 131.99 1ojx n PRO 74 Ca -0.12 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.66 1ojx n PRO 74 Cb 0.59 -2.15 -0.13 0.00 -0.02 0.00 0.00 33.50 31.79 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 -0.28 2.99 -0.36 2.45 2.96 -1.26 -1.70 118.68 123.47 1ojx s LEU 75 Ca 0.59 -0.24 -0.15 0.00 -0.22 0.00 0.00 54.13 54.11 1ojx s LEU 75 Cb -0.64 -1.71 -0.01 0.00 0.50 0.00 0.00 46.19 44.34 1ojx s LEU 75 CO 0.59 0.14 0.32 -0.63 -1.32 0.00 0.00 176.35 175.45 1ojx s ILE 76 N 0.51 5.21 -0.47 6.68 1.01 -0.18 -1.45 121.20 132.51 1ojx s ILE 76 Ca -0.06 -0.18 -0.25 0.00 0.00 0.00 0.00 60.65 60.16 1ojx s ILE 76 Cb -0.15 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.53 1ojx s ILE 76 CO 0.03 -0.12 0.92 -0.22 0.00 0.00 0.00 174.94 175.55 1ojx s LEU 77 N 1.88 4.02 -0.37 2.97 1.98 -0.77 -2.43 118.68 125.96 1ojx s LEU 77 Ca 0.09 0.08 -0.29 0.00 -2.89 0.00 0.00 54.13 51.12 1ojx s LEU 77 Cb -0.17 -3.17 0.01 0.00 0.66 0.00 0.00 46.19 43.52 1ojx s LEU 77 CO 0.11 -1.06 1.30 -0.75 -1.89 0.00 0.00 176.35 174.06 1ojx s LYS 78 N 3.76 3.77 0.07 1.98 2.47 -0.62 -1.25 119.74 129.92 1ojx s LYS 78 Ca 0.36 1.01 -0.07 0.00 -1.56 0.00 0.00 55.97 55.72 1ojx s LYS 78 Cb -0.10 -3.93 -0.28 0.00 -1.46 0.00 0.00 37.83 32.06 1ojx s LYS 78 CO 0.26 -1.32 1.13 -0.07 0.16 0.00 0.00 175.35 175.51 1ojx h LEU 79 N 11.38 0.53 -9.77 5.43 3.38 -1.41 -3.39 115.31 121.47 1ojx h LEU 79 Ca -0.26 -0.55 -0.53 0.00 0.09 0.00 0.00 57.88 56.63 1ojx h LEU 79 Cb 1.09 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.60 1ojx h LEU 79 CO 1.07 1.42 -0.57 0.54 0.09 0.00 0.00 178.44 180.99 1ojx s ASN 80 N -7.24 5.04 -0.23 -0.43 4.22 -1.26 -0.43 114.94 114.61 1ojx s ASN 80 Ca -0.05 -0.48 -0.26 0.00 -2.14 0.00 0.00 52.86 49.93 1ojx s ASN 80 Cb 0.07 -1.08 0.08 0.00 1.28 0.00 0.00 41.25 41.59 1ojx s ASN 80 CO 0.90 -0.08 0.79 -0.83 -2.04 0.00 0.00 177.10 175.83 1ojx s GLY 81 N -3.79 -0.46 0.32 0.45 0.00 -1.20 -4.86 107.32 97.78 1ojx s GLY 81 Ca 0.33 2.04 0.03 0.00 0.00 0.00 0.00 44.72 47.13 1ojx s GLY 81 CO 0.23 1.61 0.11 -1.59 0.00 0.00 0.00 173.10 173.46 1ojx s LYS 82 N 0.04 1.65 0.28 2.90 -2.85 -1.26 -4.24 119.74 116.25 1ojx s LYS 82 Ca -0.01 -1.94 0.08 0.00 -1.00 0.00 0.00 55.97 53.10 1ojx s LYS 82 Cb -0.04 -0.49 -0.04 0.00 -2.06 0.00 0.00 37.83 35.20 1ojx s LYS 82 CO 0.01 -0.34 0.10 0.95 0.10 0.00 0.00 175.35 176.17 1ojx s THR 83 N -3.45 3.71 -1.45 3.79 -4.23 -1.26 -3.49 115.64 109.26 1ojx s THR 83 Ca 0.34 -1.69 0.30 0.00 -1.18 0.00 0.00 61.69 59.46 1ojx s THR 83 Cb 0.06 -3.06 0.53 0.00 1.34 0.00 0.00 72.50 71.37 1ojx s THR 83 CO 0.15 -0.33 2.04 0.35 -0.54 0.00 0.00 174.62 176.30 1ojx n THR 84 N -1.05 0.00 0.19 3.99 -2.24 -0.96 -3.24 114.28 110.97 1ojx n THR 84 Ca -0.06 -0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.77 1ojx n THR 84 Cb 0.59 -0.46 0.33 0.00 -2.10 0.00 0.00 70.33 68.68 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 0.04 0.00 -9.82 3.22 3.38 -1.95 -3.45 115.31 106.74 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 0.29 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.08 1ojx h LEU 85 CO 0.00 0.38 0.60 -0.47 0.09 0.00 0.00 178.44 179.04 1ojx s TYR 86 N -3.61 3.24 -0.33 1.13 5.04 -1.20 -4.96 117.35 116.65 1ojx s TYR 86 Ca 0.00 1.45 0.09 0.00 -2.44 0.00 0.00 57.07 56.18 1ojx s TYR 86 Cb 0.11 -3.56 -0.11 0.00 0.35 0.00 0.00 41.96 38.75 1ojx s TYR 86 CO 0.69 -1.50 0.34 0.09 -1.34 0.00 0.00 175.55 173.83 1ojx n ASN 87 N 1.28 1.04 -2.77 4.32 5.03 -1.26 -5.02 115.26 117.88 1ojx n ASN 87 Ca 0.01 -0.54 0.00 0.00 0.87 0.00 0.00 54.58 54.92 1ojx n ASN 87 Cb 0.43 1.11 0.00 0.00 -1.02 0.00 0.00 39.78 40.30 1ojx n ASN 87 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ojx n GLY 88 N 1.40 -2.48 3.74 7.41 0.00 -1.26 -4.95 105.19 109.05 1ojx n GLY 88 Ca 0.01 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 1ojx n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ojx s GLU 89 N -2.34 4.14 -0.08 1.61 0.41 -1.26 -4.87 118.70 116.30 1ojx s GLU 89 Ca 0.00 2.55 -0.37 0.00 -0.41 0.00 0.00 54.97 56.74 1ojx s GLU 89 Cb 0.00 -3.04 -0.15 0.00 -1.78 0.00 0.00 34.13 29.16 1ojx s GLU 89 CO 0.00 -0.63 1.65 -2.30 -0.49 0.00 0.00 175.26 173.48 1ojx n PRO 90 N 2.55 1.51 -3.67 0.39 -0.02 -1.26 -4.83 135.00 129.68 1ojx n PRO 90 Ca 0.09 0.55 -0.14 0.00 -2.02 0.00 0.00 63.50 61.99 1ojx n PRO 90 Cb 0.37 -2.27 -0.08 0.00 -0.02 0.00 0.00 33.50 31.50 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 2.50 0.00 -0.11 -1.45 0.11 -1.26 -4.49 120.40 115.70 1ojx s VAL 91 Ca 0.91 -0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.92 1ojx s VAL 91 Cb -0.90 -0.83 0.06 0.00 -1.53 0.00 0.00 36.38 33.18 1ojx s VAL 91 CO 0.54 -0.00 0.18 -0.55 -3.33 0.00 0.00 175.10 171.93 1ojx s SER 92 N 0.26 0.88 0.16 3.54 0.15 -1.26 -4.74 113.70 112.70 1ojx s SER 92 Ca -0.00 0.23 0.05 0.00 0.70 0.00 0.00 55.95 56.93 1ojx s SER 92 Cb -0.04 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.54 1ojx s SER 92 CO 0.01 -0.26 0.11 0.68 1.20 0.00 0.00 173.24 174.98 1ojx s VAL 93 N 2.30 4.38 0.20 4.45 -7.23 -1.26 -4.76 120.40 118.48 1ojx s VAL 93 Ca 0.03 -1.11 -0.30 0.00 -1.81 0.00 0.00 61.98 58.79 1ojx s VAL 93 Cb -0.13 -3.23 -0.09 0.00 0.56 0.00 0.00 36.38 33.49 1ojx s VAL 93 CO -0.07 -0.10 1.41 0.00 -0.31 0.00 0.00 175.10 176.04 1ojx s ALA 94 N -1.73 3.62 -1.40 1.32 0.00 -1.26 -3.28 121.76 119.03 1ojx s ALA 94 Ca 0.30 1.24 0.15 0.00 0.00 0.00 0.00 51.96 53.65 1ojx s ALA 94 Cb -0.10 -3.54 0.35 0.00 0.00 0.00 0.00 23.12 19.82 1ojx s ALA 94 CO 0.23 -0.67 1.26 0.27 0.00 0.00 0.00 175.76 176.85 1ojx n ASN 95 N 2.91 3.03 -3.68 0.00 0.23 0.43 -4.93 115.26 113.24 1ojx n ASN 95 Ca 0.08 -1.91 -0.14 0.00 -0.53 0.00 0.00 54.58 52.07 1ojx n ASN 95 Cb 0.41 -0.24 -0.08 0.00 -2.08 0.00 0.00 39.78 37.78 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 -0.65 5.90 0.17 0.00 1.04 -1.26 -4.89 113.70 114.02 1ojx s SER 97 Ca -0.07 0.43 -0.12 0.00 0.48 0.00 0.00 55.95 56.67 1ojx s SER 97 Cb -0.03 -1.69 0.08 0.00 0.10 0.00 0.00 66.02 64.48 1ojx s SER 97 CO 0.04 -0.69 1.73 0.58 0.98 0.00 0.00 173.24 175.89 1ojx h VAL 98 N 0.35 1.23 -0.51 5.02 2.07 -1.95 -1.57 116.25 120.88 1ojx h VAL 98 Ca -0.47 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 66.39 1ojx h VAL 98 Cb 1.24 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1ojx h VAL 98 CO 0.59 0.28 0.24 -0.08 0.02 0.00 0.00 177.57 178.62 1ojx h GLU 99 N 0.84 0.46 -0.61 1.57 4.81 -1.95 -0.87 114.58 118.83 1ojx h GLU 99 Ca 0.20 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1ojx h GLU 99 Cb 0.20 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1ojx h GLU 99 CO -0.02 0.30 0.17 0.93 -0.73 0.00 0.00 179.01 179.67 1ojx h GLU 100 N 0.47 0.94 -0.62 1.92 5.08 -1.92 -2.47 114.58 117.99 1ojx h GLU 100 Ca 0.23 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1ojx h GLU 100 Cb 0.17 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1ojx h GLU 100 CO -0.18 0.83 0.37 0.00 -1.00 0.00 0.00 179.01 179.03 1ojx h ALA 101 N 1.28 0.80 -0.46 3.43 0.00 -0.54 -1.33 119.26 122.43 1ojx h ALA 101 Ca 0.20 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1ojx h ALA 101 Cb 0.29 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1ojx h ALA 101 CO -0.00 0.10 0.21 0.28 0.00 0.00 0.00 179.25 179.84 1ojx h VAL 102 N 0.72 0.94 0.00 0.00 2.07 -0.94 -1.93 116.25 117.10 1ojx h VAL 102 Ca 0.25 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 1ojx h VAL 102 Cb 0.05 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 1ojx h VAL 102 CO -0.12 0.08 -0.10 -1.28 0.02 0.00 0.00 177.57 176.17 1ojx h SER 103 N 0.43 0.00 0.03 0.57 0.87 -0.92 -2.23 113.55 112.30 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 0.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1ojx h SER 103 CO -0.16 0.10 -0.02 0.18 -0.53 0.00 0.00 176.83 176.40 1ojx n LEU 104 N -4.16 0.97 0.00 2.23 4.77 -0.57 -4.93 117.00 115.31 1ojx n LEU 104 Ca -0.03 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 1ojx n LEU 104 Cb 0.18 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1ojx n LEU 104 CO 0.33 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1ojx n GLY 105 N 1.14 0.91 3.77 -0.72 0.00 -0.84 -4.91 105.19 104.53 1ojx n GLY 105 Ca 0.20 -0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 3.31 -1.15 4.61 0.00 -0.85 -4.63 121.76 121.05 1ojx s ALA 106 Ca 0.00 1.09 0.21 0.00 0.00 0.00 0.00 51.96 53.27 1ojx s ALA 106 Cb 0.00 -3.42 -0.17 0.00 0.00 0.00 0.00 23.12 19.53 1ojx s ALA 106 CO 0.00 -0.56 0.95 0.43 0.00 0.00 0.00 175.76 176.57 1ojx n SER 107 N 0.47 1.14 -3.63 0.00 7.64 -0.53 -4.74 113.62 113.97 1ojx n SER 107 Ca 0.02 -1.05 -0.08 0.00 1.01 0.00 0.00 58.87 58.76 1ojx n SER 107 Cb 0.44 0.90 -0.02 0.00 -1.01 0.00 0.00 64.21 64.52 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 -2.92 -1.54 0.10 -0.43 0.00 -1.15 -4.15 121.76 111.66 1ojx s ALA 108 Ca 0.10 0.28 0.07 0.00 0.00 0.00 0.00 51.96 52.41 1ojx s ALA 108 Cb 0.16 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 1ojx s ALA 108 CO 0.82 -0.88 -0.19 0.14 0.00 0.00 0.00 175.76 175.64 1ojx s VAL 109 N -3.60 1.57 0.10 0.00 -7.23 -0.52 -1.84 120.40 108.88 1ojx s VAL 109 Ca 0.07 -1.50 0.09 0.00 -1.81 0.00 0.00 61.98 58.83 1ojx s VAL 109 Cb -0.03 -1.45 -0.03 0.00 0.56 0.00 0.00 36.38 35.43 1ojx s VAL 109 CO -0.04 -0.11 -0.22 -0.83 -0.31 0.00 0.00 175.10 173.59 1ojx s GLY 110 N -1.89 1.29 -0.21 2.32 0.00 -0.38 -0.56 107.32 107.89 1ojx s GLY 110 Ca 0.05 -1.26 -0.12 0.00 0.00 0.00 0.00 44.72 43.38 1ojx s GLY 110 CO 0.04 -1.25 0.51 -0.47 0.00 0.00 0.00 173.10 171.93 1ojx s TYR 111 N -1.08 -0.74 -0.13 1.90 5.04 -0.68 -1.02 117.35 120.63 1ojx s TYR 111 Ca 0.08 1.55 -0.18 0.00 -2.44 0.00 0.00 57.07 56.09 1ojx s TYR 111 Cb -0.10 0.37 -0.04 0.00 0.35 0.00 0.00 41.96 42.54 1ojx s TYR 111 CO 0.04 -0.39 0.47 0.99 -1.34 0.00 0.00 175.55 175.32 1ojx s THR 112 N 1.34 5.19 0.10 4.34 2.01 -1.26 -1.12 115.64 126.24 1ojx s THR 112 Ca -0.09 0.92 0.07 0.00 0.31 0.00 0.00 61.69 62.90 1ojx s THR 112 Cb -0.07 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.60 1ojx s THR 112 CO -0.13 0.32 -0.09 0.27 -0.69 0.00 0.00 174.62 174.29 1ojx s ILE 113 N 0.71 3.44 -0.67 1.82 -4.36 -0.21 -4.84 121.20 117.10 1ojx s ILE 113 Ca 0.25 -1.21 0.05 0.00 -0.26 0.00 0.00 60.65 59.48 1ojx s ILE 113 Cb -0.15 -2.61 0.18 0.00 1.25 0.00 0.00 42.46 41.14 1ojx s ILE 113 CO 0.10 0.13 0.53 -1.22 0.24 0.00 0.00 174.94 174.72 1ojx n TYR 114 N 0.74 3.00 -1.67 1.37 4.01 -1.26 -1.77 117.16 121.58 1ojx n TYR 114 Ca -0.13 -4.21 -0.45 0.00 -0.16 0.00 0.00 57.90 52.95 1ojx n TYR 114 Cb 0.52 -0.55 -0.02 0.00 -0.31 0.00 0.00 39.34 38.98 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 1.81 2.04 0.00 -0.72 -0.02 -1.26 -1.95 135.00 134.90 1ojx n PRO 115 Ca 0.22 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1ojx n PRO 115 Cb 0.37 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.05 3.30 3.68 -1.23 0.00 -1.26 -1.82 105.19 109.92 1ojx n GLY 116 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 0.01 1.67 0.14 1.61 2.88 -0.82 -2.42 113.62 116.69 1ojx n SER 117 Ca 0.00 0.85 0.19 0.00 -1.33 0.00 0.00 58.87 58.59 1ojx n SER 117 Cb 0.00 -1.49 0.76 0.00 -0.75 0.00 0.00 64.21 62.73 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 0.71 0.00 -3.08 0.46 0.00 -1.87 -0.62 103.07 98.68 1ojx h GLY 118 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1ojx h GLY 118 CO 0.53 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.76 1ojx n PHE 119 N -3.61 1.77 -0.26 5.60 3.01 -1.26 -4.70 117.46 118.02 1ojx n PHE 119 Ca 0.05 -0.74 0.10 0.00 1.01 0.00 0.00 57.45 57.87 1ojx n PHE 119 Cb 0.55 -0.44 0.35 0.00 -0.01 0.00 0.00 39.48 39.94 1ojx n PHE 119 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1ojx h GLU 120 N 3.55 0.73 -0.76 -1.08 4.11 -1.35 -0.61 114.58 119.17 1ojx h GLU 120 Ca 0.00 -0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.41 1ojx h GLU 120 Cb 1.80 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.85 1ojx h GLU 120 CO 0.40 0.49 0.50 0.11 0.07 0.00 0.00 179.01 180.58 1ojx h TRP 121 N 0.76 0.93 -0.69 2.06 5.08 -1.84 -1.82 115.95 120.44 1ojx h TRP 121 Ca 0.41 0.02 -0.07 0.00 1.08 0.00 0.00 58.89 60.33 1ojx h TRP 121 Cb 0.55 -0.31 -0.03 0.00 -3.00 0.00 0.00 29.16 26.36 1ojx h TRP 121 CO -0.00 0.57 0.15 -0.22 -1.28 0.00 0.00 178.44 177.66 1ojx h LYS 122 N 0.99 1.10 0.03 0.12 3.64 -1.47 -0.62 116.57 120.36 1ojx h LYS 122 Ca 0.29 -0.27 -0.22 0.00 -1.27 0.00 0.00 60.65 59.18 1ojx h LYS 122 Cb -0.04 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1ojx h LYS 122 CO -0.07 0.98 -0.98 0.52 -2.27 0.00 0.00 179.45 177.63 1ojx h MET 123 N 1.04 0.23 -0.48 1.90 2.86 -1.45 -2.55 114.93 116.49 1ojx h MET 123 Ca 0.21 -0.29 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 1ojx h MET 123 Cb 0.39 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 1ojx h MET 123 CO 0.00 1.04 -0.12 0.74 1.06 0.00 0.00 176.91 179.64 1ojx h PHE 124 N 0.11 0.98 -0.24 -0.22 0.04 -1.18 0.73 116.94 117.17 1ojx h PHE 124 Ca -0.07 -0.19 -0.01 0.00 2.80 0.00 0.00 57.97 60.50 1ojx h PHE 124 Cb 1.64 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 39.54 1ojx h PHE 124 CO 0.04 0.94 0.09 1.49 -0.60 0.00 0.00 178.31 180.27 1ojx h GLU 125 N 0.79 0.36 -0.39 1.51 4.81 -1.12 -1.93 114.58 118.60 1ojx h GLU 125 Ca 0.13 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 1ojx h GLU 125 Cb 0.64 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1ojx h GLU 125 CO 0.04 0.41 -0.28 1.49 -0.73 0.00 0.00 179.01 179.95 1ojx h GLU 126 N 0.23 0.83 -0.35 1.92 4.81 -1.33 -3.05 114.58 117.63 1ojx h GLU 126 Ca 0.08 -0.37 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 1ojx h GLU 126 Cb 0.19 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1ojx h GLU 126 CO -0.01 1.00 0.13 1.25 -0.73 0.00 0.00 179.01 180.66 1ojx h LEU 127 N 0.71 0.44 -0.77 1.64 5.85 -0.70 -1.43 115.31 121.05 1ojx h LEU 127 Ca 0.08 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1ojx h LEU 127 Cb 0.82 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 1ojx h LEU 127 CO 0.07 0.40 0.45 0.00 -0.34 0.00 0.00 178.44 179.03 1ojx h ALA 128 N 1.66 1.05 -0.20 1.25 0.00 -1.24 0.13 119.26 121.92 1ojx h ALA 128 Ca 0.12 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1ojx h ALA 128 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ojx h ALA 128 CO -0.01 0.16 -0.43 0.00 0.00 0.00 0.00 179.25 178.96 1ojx h ARG 129 N 0.83 0.64 -0.54 0.00 3.08 -1.40 -2.61 114.38 114.38 1ojx h ARG 129 Ca 0.34 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1ojx h ARG 129 Cb 0.19 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1ojx h ARG 129 CO -0.18 1.05 0.24 0.82 -1.07 0.00 0.00 179.97 180.82 1ojx h ILE 130 N 0.33 1.21 -0.11 2.04 2.04 -0.97 -1.98 117.51 120.07 1ojx h ILE 130 Ca 0.00 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.25 1ojx h ILE 130 Cb 1.04 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1ojx h ILE 130 CO 0.10 0.25 0.00 0.50 0.00 0.00 0.00 178.15 178.99 1ojx h LYS 131 N 0.73 0.04 -0.69 2.37 1.63 -0.79 0.22 116.57 120.08 1ojx h LYS 131 Ca 0.18 -0.00 0.05 0.00 -0.85 0.00 0.00 60.65 60.03 1ojx h LYS 131 Cb 0.16 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.73 1ojx h LYS 131 CO -0.02 0.03 0.40 -0.09 -3.45 0.00 0.00 179.45 176.32 1ojx h ARG 132 N 0.04 0.73 -0.38 1.90 2.43 -1.34 -1.44 114.38 116.31 1ojx h ARG 132 Ca 0.05 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.04 1ojx h ARG 132 Cb 0.06 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1ojx h ARG 132 CO -0.09 0.48 -0.30 -0.44 -1.51 0.00 0.00 179.97 178.11 1ojx h ASP 133 N 0.75 0.87 -0.73 -3.80 3.32 -1.02 -1.84 116.42 113.97 1ojx h ASP 133 Ca 0.30 -0.36 0.05 0.00 0.02 0.00 0.00 57.03 57.05 1ojx h ASP 133 Cb 0.15 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.41 1ojx h ASP 133 CO -0.17 1.11 0.44 0.00 -1.72 0.00 0.00 179.24 178.90 1ojx h ALA 134 N 0.95 0.98 -0.12 3.45 0.00 -0.00 -0.27 119.26 124.25 1ojx h ALA 134 Ca 0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ojx h ALA 134 Cb 0.85 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1ojx h ALA 134 CO 0.07 0.18 0.06 0.28 0.00 0.00 0.00 179.25 179.84 1ojx h VAL 135 N 0.84 1.13 -0.67 0.00 2.07 -1.18 -0.12 116.25 118.33 1ojx h VAL 135 Ca 0.31 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.52 1ojx h VAL 135 Cb 0.11 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1ojx h VAL 135 CO -0.15 0.12 0.34 0.50 0.02 0.00 0.00 177.57 178.40 1ojx h LYS 136 N 0.06 0.59 -0.02 1.57 3.64 -0.97 -2.64 116.57 118.80 1ojx h LYS 136 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1ojx h LYS 136 Cb 0.14 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1ojx h LYS 136 CO -0.00 0.39 -0.02 1.19 -2.27 0.00 0.00 179.45 178.73 1ojx n PHE 137 N -4.85 0.00 -3.59 1.91 3.72 -0.14 -4.97 117.46 109.54 1ojx n PHE 137 Ca 0.09 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.26 1ojx n PHE 137 Cb 0.22 -0.01 0.08 0.00 -0.94 0.00 0.00 39.48 38.83 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 0.48 -5.72 -4.33 4.37 2.03 -0.15 -5.02 116.55 108.21 1ojx n ASP 138 Ca 0.17 -0.56 -0.34 0.00 0.52 0.00 0.00 54.79 54.58 1ojx n ASP 138 Cb 0.43 -4.99 -0.14 0.00 -0.72 0.00 0.00 41.12 35.70 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 -7.19 2.77 0.48 -2.67 1.02 -0.62 -5.04 118.68 107.44 1ojx s LEU 139 Ca 0.51 -0.37 -0.24 0.00 0.02 0.00 0.00 54.13 54.05 1ojx s LEU 139 Cb -0.23 -1.67 -0.08 0.00 0.02 0.00 0.00 46.19 44.24 1ojx s LEU 139 CO 0.74 0.07 1.30 -2.65 0.02 0.00 0.00 176.35 175.83 1ojx n PRO 140 N 4.20 1.83 -3.67 1.29 -0.02 -1.26 -4.53 135.00 132.84 1ojx n PRO 140 Ca -0.18 0.66 -0.37 0.00 -2.02 0.00 0.00 63.50 61.59 1ojx n PRO 140 Cb 0.52 -2.47 -0.11 0.00 -0.02 0.00 0.00 33.50 31.41 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 -2.43 3.86 -0.26 2.45 2.96 -1.26 -1.44 118.68 122.55 1ojx s LEU 141 Ca 0.65 -0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 54.45 1ojx s LEU 141 Cb -0.46 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 1ojx s LEU 141 CO 0.54 -0.02 0.06 -0.69 -1.32 0.00 0.00 176.35 174.92 1ojx s VAL 142 N 1.56 4.07 -0.23 1.68 1.01 0.27 -0.95 120.40 127.81 1ojx s VAL 142 Ca 0.07 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.58 1ojx s VAL 142 Cb -0.15 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1ojx s VAL 142 CO 0.08 0.27 0.10 -0.69 0.00 0.00 0.00 175.10 174.86 1ojx s VAL 143 N 1.56 4.79 -0.39 2.92 1.01 -0.78 -1.69 120.40 127.83 1ojx s VAL 143 Ca 0.05 -0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 1ojx s VAL 143 Cb -0.16 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.02 1ojx s VAL 143 CO 0.02 0.36 0.95 0.26 0.00 0.00 0.00 175.10 176.69 1ojx s TRP 144 N 1.18 3.04 -0.38 5.22 0.23 -0.27 -0.97 118.94 126.99 1ojx s TRP 144 Ca 0.05 0.73 -0.03 0.00 -2.03 0.00 0.00 56.10 54.82 1ojx s TRP 144 Cb -0.14 -3.75 0.09 0.00 0.03 0.00 0.00 33.47 29.69 1ojx s TRP 144 CO 0.04 -0.90 0.15 0.45 0.96 0.00 0.00 176.95 177.66 1ojx s SER 145 N 1.97 5.21 -0.56 2.95 0.15 -0.53 -1.04 113.70 121.85 1ojx s SER 145 Ca 0.39 -1.72 0.04 0.00 0.70 0.00 0.00 55.95 55.35 1ojx s SER 145 Cb -0.11 -1.82 0.15 0.00 -1.71 0.00 0.00 66.02 62.53 1ojx s SER 145 CO 0.21 -0.46 0.36 -0.31 1.20 0.00 0.00 173.24 174.24 1ojx s TYR 146 N 1.22 2.73 0.15 3.44 2.02 -0.73 -4.61 117.35 121.57 1ojx s TYR 146 Ca 0.04 -2.93 -0.34 0.00 -0.37 0.00 0.00 57.07 53.47 1ojx s TYR 146 Cb -0.22 -2.26 -0.14 0.00 -0.40 0.00 0.00 41.96 38.94 1ojx s TYR 146 CO -0.02 -0.68 1.52 -2.30 -1.57 0.00 0.00 175.55 172.49 1ojx n PRO 147 N 2.71 1.96 -3.63 -1.71 -0.02 -1.26 -4.06 135.00 128.98 1ojx n PRO 147 Ca 0.16 0.71 -0.11 0.00 -2.02 0.00 0.00 63.50 62.23 1ojx n PRO 147 Cb 0.36 -2.44 -0.07 0.00 -0.02 0.00 0.00 33.50 31.33 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 0.72 0.67 0.52 -0.52 3.52 -0.75 -4.87 118.95 118.24 1ojx s ARG 148 Ca 0.79 0.83 0.00 0.00 -0.13 0.00 0.00 55.73 57.22 1ojx s ARG 148 Cb -0.73 0.31 0.00 0.00 -1.56 0.00 0.00 34.95 32.98 1ojx s ARG 148 CO 0.40 -0.09 0.00 0.41 -0.81 0.00 0.00 175.30 175.22 1ojx n GLY 149 N 2.63 -2.24 7.00 8.12 0.00 -1.26 -2.02 105.19 117.42 1ojx n GLY 149 Ca -0.14 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.22 3.22 0.23 -0.02 0.00 -1.02 -1.77 105.19 105.62 1ojx n GLY 150 Ca 0.00 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 1.26 -2.28 1.61 5.02 -1.26 -4.87 118.16 131.64 1ojx n LYS 151 Ca 0.00 -0.47 -0.42 0.00 -2.02 0.00 0.00 58.31 55.40 1ojx n LYS 151 Cb 0.00 -1.49 -0.03 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 -2.06 3.96 -0.08 -0.18 1.01 -0.73 -4.88 120.40 117.45 1ojx s VAL 152 Ca 0.41 1.23 -0.03 0.00 0.00 0.00 0.00 61.98 63.59 1ojx s VAL 152 Cb 0.21 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 1ojx s VAL 152 CO 0.37 -0.07 -0.09 1.33 0.00 0.00 0.00 175.10 176.64 1ojx n VAL 153 N 5.13 0.43 -3.79 2.92 0.24 -1.26 -4.49 118.33 117.51 1ojx n VAL 153 Ca 0.14 -0.12 -0.37 0.00 -2.04 0.00 0.00 64.34 61.95 1ojx n VAL 153 Cb 0.44 -1.40 -0.12 0.00 -1.47 0.00 0.00 33.84 31.28 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 -5.47 5.21 0.45 -1.34 2.47 -1.26 -4.98 114.94 110.03 1ojx s ASN 154 Ca -0.11 -1.30 0.25 0.00 0.42 0.00 0.00 52.86 52.12 1ojx s ASN 154 Cb 0.04 -1.83 0.99 0.00 -1.45 0.00 0.00 41.25 39.00 1ojx s ASN 154 CO 0.15 -0.35 1.86 -0.33 -3.72 0.00 0.00 177.10 174.71 1ojx h GLU 155 N 8.15 0.00 -0.53 0.43 5.08 -1.93 -2.76 114.58 123.02 1ojx h GLU 155 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1ojx h GLU 155 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1ojx h GLU 155 CO 0.60 0.20 0.00 0.25 -1.00 0.00 0.00 179.01 179.07 1ojx n THR 156 N -3.39 0.69 -1.77 1.13 -2.24 -1.26 -4.43 114.28 103.01 1ojx n THR 156 Ca -0.00 -0.81 -0.41 0.00 -2.27 0.00 0.00 64.05 60.56 1ojx n THR 156 Cb 0.41 0.69 0.01 0.00 -2.10 0.00 0.00 70.33 69.33 1ojx n THR 156 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ojx n ALA 157 N 1.44 2.28 -0.31 6.98 0.00 -1.04 -4.49 120.51 125.37 1ojx n ALA 157 Ca 0.21 0.31 0.03 0.00 0.00 0.00 0.00 53.44 53.99 1ojx n ALA 157 Cb 0.58 -2.41 0.17 0.00 0.00 0.00 0.00 19.45 17.79 1ojx n ALA 157 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1ojx h PRO 158 N 2.73 0.84 0.00 0.00 0.11 -1.91 -2.05 132.00 131.72 1ojx h PRO 158 Ca -0.51 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.47 1ojx h PRO 158 Cb 1.25 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 1ojx h PRO 158 CO 0.63 0.56 -0.36 1.05 -0.21 0.00 0.00 178.00 179.66 1ojx h GLU 159 N 0.87 0.00 0.06 1.05 9.09 -1.96 -1.82 114.58 121.87 1ojx h GLU 159 Ca 0.41 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.61 1ojx h GLU 159 Cb 0.33 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.45 1ojx h GLU 159 CO -0.23 0.36 -0.85 0.82 0.05 0.00 0.00 179.01 179.16 1ojx h ILE 160 N 0.00 1.39 -0.25 -1.06 1.08 -1.74 -2.33 117.51 114.60 1ojx h ILE 160 Ca -0.00 -2.29 -0.11 0.00 -0.39 0.00 0.00 64.86 62.07 1ojx h ILE 160 Cb 0.77 2.72 -0.01 0.00 -3.07 0.00 0.00 36.82 37.23 1ojx h ILE 160 CO 0.05 0.67 -0.31 0.58 -0.69 0.00 0.00 178.15 178.45 1ojx h VAL 161 N -0.01 1.28 -0.55 1.67 2.07 -1.28 -0.39 116.25 119.04 1ojx h VAL 161 Ca -0.12 -1.40 -0.10 0.00 0.82 0.00 0.00 66.70 65.90 1ojx h VAL 161 Cb 1.57 1.43 -0.02 0.00 -1.52 0.00 0.00 31.29 32.76 1ojx h VAL 161 CO 0.17 0.44 -0.05 0.00 0.02 0.00 0.00 177.57 178.14 1ojx h ALA 162 N 1.22 0.74 -0.29 1.67 0.00 -1.42 -1.94 119.26 119.25 1ojx h ALA 162 Ca 0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ojx h ALA 162 Cb 0.76 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1ojx h ALA 162 CO 0.06 0.61 0.17 -0.92 0.00 0.00 0.00 179.25 179.18 1ojx h TYR 163 N 0.88 0.38 -0.70 0.00 -0.00 -1.09 -1.13 116.97 115.30 1ojx h TYR 163 Ca 0.15 -0.00 0.11 0.00 -0.00 0.00 0.00 58.73 58.99 1ojx h TYR 163 Cb 0.61 -0.12 -0.08 0.00 -0.00 0.00 0.00 36.73 37.13 1ojx h TYR 163 CO 0.04 0.28 0.29 0.00 -0.00 0.00 0.00 178.16 178.78 1ojx h ALA 164 N 1.06 0.96 -0.23 1.82 0.00 -0.93 -0.97 119.26 120.97 1ojx h ALA 164 Ca 0.10 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1ojx h ALA 164 Cb 0.01 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ojx h ALA 164 CO -0.02 -0.16 -0.19 0.00 0.00 0.00 0.00 179.25 178.88 1ojx h ALA 165 N 1.48 0.34 -0.70 0.00 0.00 -1.02 -2.71 119.26 116.64 1ojx h ALA 165 Ca 0.37 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ojx h ALA 165 Cb 0.48 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1ojx h ALA 165 CO -0.34 0.26 0.26 -0.09 0.00 0.00 0.00 179.25 179.34 1ojx h ARG 166 N 0.24 1.05 -0.49 0.00 9.65 -0.90 -2.79 114.38 121.14 1ojx h ARG 166 Ca 0.04 -0.20 -0.00 0.00 -1.10 0.00 0.00 59.98 58.72 1ojx h ARG 166 Cb 0.72 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 29.11 1ojx h ARG 166 CO 0.05 0.88 0.29 0.82 2.80 0.00 0.00 179.97 184.81 1ojx h ILE 167 N 1.00 1.15 -0.77 1.20 2.04 -1.16 -1.30 117.51 119.67 1ojx h ILE 167 Ca 0.23 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.79 1ojx h ILE 167 Cb 0.23 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 1ojx h ILE 167 CO -0.02 0.16 0.47 0.00 0.00 0.00 0.00 178.15 178.76 1ojx h ALA 168 N 1.14 1.04 -0.21 1.87 0.00 -1.37 -1.44 119.26 120.28 1ojx h ALA 168 Ca 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1ojx h ALA 168 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ojx h ALA 168 CO -0.03 0.20 0.11 1.25 0.00 0.00 0.00 179.25 180.78 1ojx h LEU 169 N 0.87 0.27 -1.62 0.00 5.85 -1.19 -1.29 115.31 118.20 1ojx h LEU 169 Ca 0.33 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1ojx h LEU 169 Cb 0.13 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1ojx h LEU 169 CO -0.16 0.30 -0.02 -0.33 -0.34 0.00 0.00 178.44 177.88 1ojx h GLU 170 N 0.22 0.21 0.00 1.25 4.39 -0.83 -2.83 114.58 116.99 1ojx h GLU 170 Ca 0.07 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.74 1ojx h GLU 170 Cb 0.09 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1ojx h GLU 170 CO -0.01 0.25 -0.51 1.28 -1.16 0.00 0.00 179.01 178.86 1ojx n LEU 171 N -4.39 0.54 0.00 1.33 4.77 -0.58 -4.96 117.00 113.72 1ojx n LEU 171 Ca -0.01 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1ojx n LEU 171 Cb 0.18 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1ojx n LEU 171 CO 0.36 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1ojx n GLY 172 N 1.43 1.50 3.71 -0.72 0.00 -1.07 -4.98 105.19 105.07 1ojx n GLY 172 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.73 1.64 0.09 4.61 0.00 -0.50 -4.90 120.51 120.72 1ojx n ALA 173 Ca 0.00 0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.92 1ojx n ALA 173 Cb 0.00 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.11 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 1.14 0.74 -3.66 0.00 8.00 -0.13 -4.80 116.55 117.84 1ojx n ASP 174 Ca 0.06 0.28 -0.10 0.00 0.71 0.00 0.00 54.79 55.74 1ojx n ASP 174 Cb 0.36 0.65 -0.04 0.00 -0.02 0.00 0.00 41.12 42.07 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 -3.39 -0.95 0.06 2.24 0.00 -1.09 -4.33 121.76 114.30 1ojx s ALA 175 Ca -0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1ojx s ALA 175 Cb 0.10 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 1ojx s ALA 175 CO 0.81 -0.71 0.05 0.00 0.00 0.00 0.00 175.76 175.91 1ojx s MET 176 N -3.83 0.69 -0.11 0.00 0.23 -0.67 -1.86 119.30 113.74 1ojx s MET 176 Ca 0.05 -1.09 0.01 0.00 -1.03 0.00 0.00 55.69 53.63 1ojx s MET 176 Cb 0.01 0.26 0.02 0.00 -1.53 0.00 0.00 34.83 33.58 1ojx s MET 176 CO -0.09 -0.17 -0.11 0.21 -2.03 0.00 0.00 175.02 172.84 1ojx s LYS 177 N -3.78 1.84 0.15 3.16 2.20 -0.15 -0.48 119.74 122.69 1ojx s LYS 177 Ca 0.05 -0.40 0.01 0.00 -0.36 0.00 0.00 55.97 55.27 1ojx s LYS 177 Cb 0.06 -1.72 -0.04 0.00 -1.51 0.00 0.00 37.83 34.62 1ojx s LYS 177 CO -0.10 -0.18 0.00 0.96 -0.36 0.00 0.00 175.35 175.68 1ojx s ILE 178 N 1.36 0.54 0.36 5.43 -4.36 -0.75 -1.45 121.20 122.32 1ojx s ILE 178 Ca -0.00 -1.95 -0.25 0.00 -0.26 0.00 0.00 60.65 58.19 1ojx s ILE 178 Cb -0.14 -2.01 -0.10 0.00 1.25 0.00 0.00 42.46 41.47 1ojx s ILE 178 CO -0.06 -0.56 0.99 -0.54 0.24 0.00 0.00 174.94 175.01 1ojx s LYS 179 N -3.93 4.41 0.32 0.37 1.02 -1.26 -0.88 119.74 119.79 1ojx s LYS 179 Ca 0.21 1.39 -0.28 0.00 0.02 0.00 0.00 55.97 57.31 1ojx s LYS 179 Cb 0.06 -2.67 -0.09 0.00 -0.52 0.00 0.00 37.83 34.61 1ojx s LYS 179 CO 0.02 0.10 1.14 -0.47 -0.92 0.00 0.00 175.35 175.22 1ojx s TYR 180 N -1.67 3.36 -0.56 3.18 5.04 -1.26 -4.90 117.35 120.54 1ojx s TYR 180 Ca 0.54 1.62 0.24 0.00 -2.44 0.00 0.00 57.07 57.03 1ojx s TYR 180 Cb -0.19 -3.36 0.52 0.00 0.35 0.00 0.00 41.96 39.27 1ojx s TYR 180 CO 0.25 -0.92 1.63 1.79 -1.34 0.00 0.00 175.55 176.95 1ojx h THR 181 N 2.85 0.00 0.00 4.34 1.35 -1.95 -3.45 112.91 116.05 1ojx h THR 181 Ca -0.48 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1ojx h THR 181 Cb 1.22 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1ojx h THR 181 CO 0.65 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 1ojx n GLY 182 N 1.21 0.24 3.35 5.82 0.00 -1.26 -4.90 105.19 109.65 1ojx n GLY 182 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.47 -0.41 0.45 1.61 -4.77 -1.26 -5.07 116.67 104.75 1ojx s ASP 183 Ca 0.00 0.59 0.15 0.00 -3.30 0.00 0.00 52.55 49.98 1ojx s ASP 183 Cb 0.00 0.64 1.03 0.00 -1.09 0.00 0.00 42.92 43.50 1ojx s ASP 183 CO 0.00 -0.36 2.00 1.55 0.70 0.00 0.00 175.17 179.06 1ojx h PRO 184 N 4.36 0.00 0.15 2.11 0.13 -1.98 -2.70 132.00 134.08 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ojx h PRO 184 CO 0.31 0.17 -0.07 -0.22 -0.23 0.00 0.00 178.00 177.97 1ojx h LYS 185 N 0.00 -0.20 -0.25 0.86 3.64 -1.97 -0.85 116.57 117.80 1ojx h LYS 185 Ca -0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 1ojx h LYS 185 Cb 0.31 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1ojx h LYS 185 CO 0.02 0.17 -0.18 1.79 -2.27 0.00 0.00 179.45 178.99 1ojx h THR 186 N -0.61 1.24 -0.03 1.00 1.35 -1.99 -2.76 112.91 111.10 1ojx h THR 186 Ca -0.02 -1.09 -0.12 0.00 -0.55 0.00 0.00 66.41 64.63 1ojx h THR 186 Cb 0.46 1.24 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 1ojx h THR 186 CO 0.03 0.35 -0.53 0.15 -0.25 0.00 0.00 175.52 175.27 1ojx h PHE 187 N 0.41 0.10 0.00 4.73 3.57 -1.44 -2.59 116.94 121.72 1ojx h PHE 187 Ca 0.07 -0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1ojx h PHE 187 Cb 0.54 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.26 1ojx h PHE 187 CO 0.02 0.60 -0.13 0.66 -2.23 0.00 0.00 178.31 177.22 1ojx h SER 188 N 0.06 0.00 -0.49 0.41 4.64 -0.85 -2.04 113.55 115.29 1ojx h SER 188 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1ojx h SER 188 Cb 0.96 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 1ojx h SER 188 CO 0.07 0.13 -0.11 -0.25 -0.87 0.00 0.00 176.83 175.81 1ojx h TRP 189 N 0.00 1.05 -0.77 4.77 2.91 -1.41 -1.46 115.95 121.03 1ojx h TRP 189 Ca -0.00 -0.22 -0.04 0.00 1.13 0.00 0.00 58.89 59.76 1ojx h TRP 189 Cb 0.24 -0.26 -0.04 0.00 -0.51 0.00 0.00 29.16 28.60 1ojx h TRP 189 CO 0.00 1.01 0.34 0.00 -1.03 0.00 0.00 178.44 178.76 1ojx h ALA 190 N 0.89 1.14 -0.48 2.65 0.00 -1.37 -2.01 119.26 120.08 1ojx h ALA 190 Ca 0.12 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1ojx h ALA 190 Cb 0.67 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1ojx h ALA 190 CO 0.05 0.63 -0.12 0.28 0.00 0.00 0.00 179.25 180.10 1ojx h VAL 191 N 1.11 1.26 -0.21 0.00 2.07 -1.21 -2.67 116.25 116.60 1ojx h VAL 191 Ca 0.26 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1ojx h VAL 191 Cb 0.16 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1ojx h VAL 191 CO -0.03 0.42 0.08 0.50 0.02 0.00 0.00 177.57 178.56 1ojx h LYS 192 N 0.79 0.31 0.00 1.57 3.64 -0.87 -2.94 116.57 119.08 1ojx h LYS 192 Ca 0.13 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1ojx h LYS 192 Cb 0.63 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1ojx h LYS 192 CO 0.04 0.38 0.00 -0.39 -2.27 0.00 0.00 179.45 177.22 1ojx h VAL 193 N 0.18 0.00 0.00 2.00 -1.51 -1.30 -1.47 116.25 114.15 1ojx h VAL 193 Ca 0.07 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1ojx h VAL 193 Cb 0.19 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 1ojx h VAL 193 CO -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.34 1ojx h ALA 194 N 2.15 1.00 -0.92 5.19 0.00 -1.29 -3.41 119.26 121.98 1ojx h ALA 194 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ojx h ALA 194 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ojx h ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1ojx n GLY 195 N 0.43 3.68 0.00 0.00 0.00 -0.56 -2.19 105.19 106.57 1ojx n GLY 195 Ca 0.03 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 13.84 0.32 -3.52 1.61 5.02 -1.26 -4.76 118.16 129.40 1ojx n LYS 196 Ca 0.00 0.09 -0.38 0.00 -2.02 0.00 0.00 58.31 56.00 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 -2.52 5.27 0.54 -0.18 1.01 -0.93 -5.05 120.40 118.53 1ojx s VAL 197 Ca 0.20 0.41 -0.20 0.00 0.00 0.00 0.00 61.98 62.39 1ojx s VAL 197 Cb 0.14 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.85 1ojx s VAL 197 CO 0.30 0.27 1.12 -2.16 0.00 0.00 0.00 175.10 174.63 1ojx s PRO 198 N 1.43 3.39 -0.13 2.72 0.04 -1.26 -4.85 135.00 136.34 1ojx s PRO 198 Ca 0.12 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.76 1ojx s PRO 198 Cb -0.15 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1ojx s PRO 198 CO 0.07 -0.81 -0.15 0.08 0.04 0.00 0.00 177.00 176.23 1ojx s VAL 199 N -1.79 2.82 -0.09 -0.36 1.01 -1.26 -1.67 120.40 119.06 1ojx s VAL 199 Ca 0.72 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1ojx s VAL 199 Cb -0.23 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1ojx s VAL 199 CO 0.26 0.53 -0.04 -0.76 0.00 0.00 0.00 175.10 175.09 1ojx s LEU 200 N 0.40 3.31 0.03 3.92 1.43 0.37 -1.06 118.68 127.09 1ojx s LEU 200 Ca -0.12 0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 52.69 1ojx s LEU 200 Cb -0.16 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 1ojx s LEU 200 CO 0.06 0.33 1.12 -0.32 0.23 0.00 0.00 176.35 177.76 1ojx s MET 201 N -0.59 4.47 0.34 1.70 -2.45 -0.57 -1.82 119.30 120.39 1ojx s MET 201 Ca 0.09 1.63 -0.27 0.00 -1.25 0.00 0.00 55.69 55.89 1ojx s MET 201 Cb -0.12 -3.40 -0.09 0.00 1.25 0.00 0.00 34.83 32.47 1ojx s MET 201 CO 0.02 -0.19 1.11 0.45 1.05 0.00 0.00 175.02 177.46 1ojx s SER 202 N 1.06 6.97 -0.03 1.11 0.15 -0.06 -0.67 113.70 122.23 1ojx s SER 202 Ca 0.56 2.24 -0.20 0.00 0.70 0.00 0.00 55.95 59.25 1ojx s SER 202 Cb -0.26 -2.61 -0.13 0.00 -1.71 0.00 0.00 66.02 61.30 1ojx s SER 202 CO 0.28 -0.35 0.88 1.23 1.20 0.00 0.00 173.24 176.48 1ojx h GLY 203 N 3.22 -0.44 0.00 9.45 0.00 -1.66 -3.42 103.07 110.23 1ojx h GLY 203 Ca -0.48 0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1ojx h GLY 203 CO 0.65 -0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.64 1ojx n GLY 204 N 0.25 -0.33 3.61 4.60 0.00 -1.26 -4.96 105.19 107.11 1ojx n GLY 204 Ca -0.08 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.75 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 -0.39 0.49 -1.70 1.61 -0.02 -1.26 -4.48 135.00 129.25 1ojx n PRO 205 Ca 0.00 0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 1ojx n PRO 205 Cb 0.00 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.22 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 -1.90 2.78 -1.61 -0.52 4.81 -1.26 -4.83 118.16 115.63 1ojx n LYS 206 Ca 0.13 1.01 -0.31 0.00 -0.87 0.00 0.00 58.31 58.27 1ojx n LYS 206 Cb 0.49 -2.89 0.05 0.00 0.02 0.00 0.00 35.03 32.71 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 2.21 4.05 0.16 3.15 -4.23 -1.26 -4.98 115.64 114.74 1ojx s THR 207 Ca 0.80 0.67 -0.15 0.00 -1.18 0.00 0.00 61.69 61.82 1ojx s THR 207 Cb -0.49 -3.44 0.03 0.00 1.34 0.00 0.00 72.50 69.94 1ojx s THR 207 CO 0.36 -0.87 1.80 0.11 -0.54 0.00 0.00 174.62 175.47 1ojx h LYS 208 N -0.69 0.48 -5.79 3.99 1.57 -1.99 -3.43 116.57 110.71 1ojx h LYS 208 Ca -0.44 -0.03 -0.53 0.00 -1.87 0.00 0.00 60.65 57.78 1ojx h LYS 208 Cb 1.21 -0.11 -0.14 0.00 0.08 0.00 0.00 32.23 33.27 1ojx h LYS 208 CO 0.58 0.32 -0.72 0.95 -0.57 0.00 0.00 179.45 180.00 1ojx s THR 209 N -6.15 2.00 0.37 -0.16 -4.23 -1.26 -5.04 115.64 101.17 1ojx s THR 209 Ca -0.13 -2.25 0.06 0.00 -1.18 0.00 0.00 61.69 58.19 1ojx s THR 209 Cb 0.12 -2.29 0.19 0.00 1.34 0.00 0.00 72.50 71.87 1ojx s THR 209 CO 0.73 -0.42 1.94 -0.33 -0.54 0.00 0.00 174.62 176.00 1ojx h GLU 210 N 2.34 0.48 -0.51 3.99 5.08 -2.00 -2.91 114.58 121.05 1ojx h GLU 210 Ca -0.40 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 57.80 1ojx h GLU 210 Cb 1.24 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 1ojx h GLU 210 CO 0.64 0.46 -0.02 1.49 -1.00 0.00 0.00 179.01 180.58 1ojx h GLU 211 N 0.47 0.87 -0.84 2.33 4.57 -1.98 -2.60 114.58 117.40 1ojx h GLU 211 Ca 0.11 -0.26 0.11 0.00 -1.18 0.00 0.00 59.36 58.14 1ojx h GLU 211 Cb 0.21 -0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 28.63 1ojx h GLU 211 CO -0.00 0.88 0.48 -0.44 -1.18 0.00 0.00 179.01 178.75 1ojx h ASP 212 N 0.81 0.67 -0.17 1.04 3.32 -1.92 -1.93 116.42 118.23 1ojx h ASP 212 Ca 0.15 0.06 -0.20 0.00 0.02 0.00 0.00 57.03 57.06 1ojx h ASP 212 Cb 0.51 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1ojx h ASP 212 CO 0.03 0.36 -0.65 0.15 -1.72 0.00 0.00 179.24 177.40 1ojx h PHE 213 N 0.78 1.03 -0.87 4.55 3.57 -1.56 -2.92 116.94 121.52 1ojx h PHE 213 Ca 0.42 -0.41 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1ojx h PHE 213 Cb 0.43 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.95 1ojx h PHE 213 CO -0.06 1.23 0.55 -0.07 -2.23 0.00 0.00 178.31 177.73 1ojx h LEU 214 N 0.58 1.02 -0.83 0.59 3.38 -1.05 -1.45 115.31 117.55 1ojx h LEU 214 Ca -0.02 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1ojx h LEU 214 Cb 1.26 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1ojx h LEU 214 CO 0.14 0.76 -0.43 0.50 0.09 0.00 0.00 178.44 179.49 1ojx h LYS 215 N 1.19 0.34 -0.24 1.13 3.64 -1.38 -1.30 116.57 119.94 1ojx h LYS 215 Ca 0.32 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1ojx h LYS 215 Cb -0.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 1ojx h LYS 215 CO -0.06 0.71 0.10 1.96 -2.27 0.00 0.00 179.45 179.89 1ojx h GLN 216 N 0.28 0.35 -0.58 1.90 4.20 -1.17 -2.60 115.11 117.48 1ojx h GLN 216 Ca 0.02 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1ojx h GLN 216 Cb 0.88 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.57 1ojx h GLN 216 CO 0.07 0.39 0.15 0.28 -0.67 0.00 0.00 178.83 179.05 1ojx h VAL 217 N 0.24 1.23 -0.54 -0.54 2.07 -1.10 -1.88 116.25 115.73 1ojx h VAL 217 Ca 0.08 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.77 1ojx h VAL 217 Cb 0.16 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1ojx h VAL 217 CO -0.01 0.32 0.35 -0.33 0.02 0.00 0.00 177.57 177.92 1ojx h GLU 218 N 0.87 0.68 -0.59 1.57 5.08 -1.18 -2.04 114.58 118.97 1ojx h GLU 218 Ca 0.19 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1ojx h GLU 218 Cb 0.30 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1ojx h GLU 218 CO -0.00 0.45 -0.03 0.78 -1.00 0.00 0.00 179.01 179.21 1ojx h GLY 219 N 0.70 1.15 0.66 -3.84 0.00 -1.08 -1.80 103.07 98.86 1ojx h GLY 219 Ca 0.20 -0.87 0.06 0.00 0.00 0.00 0.00 47.33 46.73 1ojx h GLY 219 CO -0.06 0.80 0.39 -2.08 0.00 0.00 0.00 176.54 175.58 1ojx h VAL 220 N 0.96 0.96 -0.25 4.60 2.07 -1.09 -1.67 116.25 121.82 1ojx h VAL 220 Ca 0.16 -0.24 -0.18 0.00 0.82 0.00 0.00 66.70 67.26 1ojx h VAL 220 Cb 0.59 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1ojx h VAL 220 CO 0.04 0.13 -0.56 -0.07 0.02 0.00 0.00 177.57 177.13 1ojx h LEU 221 N 0.71 0.87 -1.91 2.57 3.38 -1.12 -2.80 115.31 117.00 1ojx h LEU 221 Ca 0.31 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1ojx h LEU 221 Cb 0.21 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1ojx h LEU 221 CO -0.19 1.25 -0.05 -0.08 0.09 0.00 0.00 178.44 179.46 1ojx h GLU 222 N 0.59 0.00 -0.00 1.13 4.81 -1.04 -2.14 114.58 117.93 1ojx h GLU 222 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1ojx h GLU 222 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1ojx h GLU 222 CO 0.12 0.05 -0.06 0.00 -0.73 0.00 0.00 179.01 178.39 1ojx n ALA 223 N -2.53 2.60 -0.28 2.92 0.00 -0.65 -4.91 120.51 117.66 1ojx n ALA 223 Ca -0.03 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1ojx n ALA 223 Cb 0.13 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.32 0.84 3.80 0.00 0.00 -0.80 -4.36 105.19 105.97 1ojx n GLY 224 Ca 0.13 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 2.65 0.30 4.61 0.00 -1.08 -4.91 121.76 121.33 1ojx s ALA 225 Ca 0.00 0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.42 1ojx s ALA 225 Cb 0.00 -3.25 0.46 0.00 0.00 0.00 0.00 23.12 20.33 1ojx s ALA 225 CO 0.00 -1.01 1.69 1.25 0.00 0.00 0.00 175.76 177.70 1ojx h LEU 226 N 0.15 0.21 0.00 0.00 5.85 -1.43 -3.44 115.31 116.66 1ojx h LEU 226 Ca -0.46 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.16 1ojx h LEU 226 Cb 1.23 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1ojx h LEU 226 CO 0.56 0.63 0.00 0.61 -0.34 0.00 0.00 178.44 179.90 1ojx n GLY 227 N -0.15 -0.54 3.10 3.75 0.00 -1.22 -1.62 105.19 108.51 1ojx n GLY 227 Ca -0.02 -0.70 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 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 0.85 -0.36 -0.61 -4.36 -0.76 -1.51 121.20 110.46 1ojx s ILE 228 Ca 0.00 -0.97 -0.03 0.00 -0.26 0.00 0.00 60.65 59.38 1ojx s ILE 228 Cb 0.00 -0.82 0.08 0.00 1.25 0.00 0.00 42.46 42.97 1ojx s ILE 228 CO 0.00 -0.13 0.12 0.00 0.24 0.00 0.00 174.94 175.17 1ojx s ALA 229 N -0.98 3.03 -0.09 2.27 0.00 0.15 -1.52 121.76 124.63 1ojx s ALA 229 Ca -0.02 -2.13 0.02 0.00 0.00 0.00 0.00 51.96 49.83 1ojx s ALA 229 Cb -0.08 -2.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.77 1ojx s ALA 229 CO 0.01 -1.54 -0.14 0.54 0.00 0.00 0.00 175.76 174.63 1ojx s VAL 230 N 1.24 3.05 0.00 0.00 0.11 -0.37 -1.64 120.40 122.78 1ojx s VAL 230 Ca 0.02 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 1ojx s VAL 230 Cb -0.21 -2.23 0.00 0.00 -1.53 0.00 0.00 36.38 32.41 1ojx s VAL 230 CO -0.02 0.56 0.00 0.61 -3.33 0.00 0.00 175.10 172.92 1ojx n GLY 231 N 2.87 0.50 0.35 6.54 0.00 -1.26 -1.06 105.19 113.13 1ojx n GLY 231 Ca -0.18 0.00 0.07 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 0.92 0.00 1.61 3.08 -1.86 -1.41 114.38 116.73 1ojx h ARG 232 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1ojx h ARG 232 Cb 0.00 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1ojx h ARG 232 CO 0.00 0.61 0.00 0.09 -1.07 0.00 0.00 179.97 179.60 1ojx n ASN 233 N -4.65 0.00 -0.01 7.04 3.02 -1.26 -1.70 115.26 117.69 1ojx n ASN 233 Ca 0.18 0.13 -0.02 0.00 -0.03 0.00 0.00 54.58 54.84 1ojx n ASN 233 Cb 0.36 -0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.28 0.41 0.91 2.41 0.31 -0.59 -4.85 118.33 115.65 1ojx n VAL 234 Ca 0.05 0.31 0.12 0.00 -0.01 0.00 0.00 64.34 64.81 1ojx n VAL 234 Cb 0.08 -1.56 0.56 0.00 -0.91 0.00 0.00 33.84 32.01 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 -2.98 0.00 1.62 3.52 4.27 -0.85 -2.24 117.44 120.78 1ojx n TRP 235 Ca -0.03 0.00 0.15 0.00 -3.89 0.00 0.00 57.50 53.73 1ojx n TRP 235 Cb 0.10 -0.48 0.65 0.00 -1.36 0.00 0.00 31.31 30.22 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 -1.48 1.29 -3.80 -2.67 7.27 -0.69 -4.67 117.38 112.63 1ojx n GLN 236 Ca 0.07 -0.56 -0.36 0.00 0.07 0.00 0.00 57.00 56.22 1ojx n GLN 236 Cb 0.29 -1.49 -0.06 0.00 2.41 0.00 0.00 30.24 31.40 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 -2.09 3.54 0.51 3.69 0.52 -0.95 -4.39 118.95 119.77 1ojx s ARG 237 Ca 0.39 -0.08 0.30 0.00 -0.52 0.00 0.00 55.73 55.83 1ojx s ARG 237 Cb 0.21 -3.14 1.07 0.00 0.52 0.00 0.00 34.95 33.60 1ojx s ARG 237 CO 0.37 0.71 1.87 0.00 0.02 0.00 0.00 175.30 178.28 1ojx h ARG 238 N 4.46 0.00 -1.31 3.54 3.08 -1.87 -2.81 114.38 119.46 1ojx h ARG 238 Ca -0.52 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 58.85 1ojx h ARG 238 Cb 1.21 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 30.95 1ojx h ARG 238 CO 0.63 0.00 0.55 -0.40 -1.07 0.00 0.00 179.97 179.67 1ojx n ASP 239 N -3.06 6.99 -0.04 7.04 5.75 -1.26 -4.86 116.55 127.12 1ojx n ASP 239 Ca 0.02 -3.79 -0.08 0.00 -0.01 0.00 0.00 54.79 50.92 1ojx n ASP 239 Cb 0.37 -0.87 -0.02 0.00 -1.03 0.00 0.00 41.12 39.57 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 2.38 0.06 -0.38 2.12 0.00 -1.71 -1.97 119.26 119.76 1ojx h ALA 240 Ca 0.54 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.48 1ojx h ALA 240 Cb 0.69 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1ojx h ALA 240 CO 1.36 -0.54 0.04 1.25 0.00 0.00 0.00 179.25 181.37 1ojx h LEU 241 N -0.10 0.61 -0.09 0.00 5.85 -1.89 -0.56 115.31 119.14 1ojx h LEU 241 Ca 0.12 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1ojx h LEU 241 Cb 0.28 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1ojx h LEU 241 CO -0.28 0.74 0.02 0.50 -0.34 0.00 0.00 178.44 179.07 1ojx h LYS 242 N 0.47 0.06 -0.28 1.25 3.64 -1.91 -1.37 116.57 118.43 1ojx h LYS 242 Ca 0.11 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1ojx h LYS 242 Cb 0.39 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 1ojx h LYS 242 CO 0.01 0.04 -0.19 0.35 -2.27 0.00 0.00 179.45 177.39 1ojx h PHE 243 N 0.06 0.55 -0.42 1.91 3.57 -1.29 -2.40 116.94 118.91 1ojx h PHE 243 Ca 0.04 -0.10 -0.06 0.00 3.53 0.00 0.00 57.97 61.38 1ojx h PHE 243 Cb 0.03 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1ojx h PHE 243 CO -0.11 0.66 0.01 0.00 -2.23 0.00 0.00 178.31 176.64 1ojx h ALA 244 N 1.35 1.23 -0.11 2.41 0.00 -0.75 -2.35 119.26 121.04 1ojx h ALA 244 Ca 0.07 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1ojx h ALA 244 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1ojx h ALA 244 CO 0.04 0.51 -0.48 0.00 0.00 0.00 0.00 179.25 179.32 1ojx h ARG 245 N 0.64 0.27 -0.61 0.00 3.08 -0.84 -2.69 114.38 114.22 1ojx h ARG 245 Ca 0.13 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 1ojx h ARG 245 Cb 0.38 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1ojx h ARG 245 CO 0.01 0.70 0.10 0.00 -1.07 0.00 0.00 179.97 179.71 1ojx h ALA 246 N 1.28 1.02 -0.54 0.04 0.00 -1.15 -2.42 119.26 117.49 1ojx h ALA 246 Ca 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1ojx h ALA 246 Cb 0.93 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1ojx h ALA 246 CO 0.08 0.63 0.28 -0.07 0.00 0.00 0.00 179.25 180.16 1ojx h LEU 247 N 0.94 0.69 -0.76 0.00 3.38 -1.25 -2.39 115.31 115.92 1ojx h LEU 247 Ca 0.19 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1ojx h LEU 247 Cb 0.41 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1ojx h LEU 247 CO 0.01 0.60 0.34 0.00 0.09 0.00 0.00 178.44 179.48 1ojx h ALA 248 N 1.11 0.98 -0.79 1.53 0.00 -1.27 0.10 119.26 120.92 1ojx h ALA 248 Ca 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ojx h ALA 248 Cb 0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1ojx h ALA 248 CO -0.03 0.57 0.42 1.49 0.00 0.00 0.00 179.25 181.71 1ojx h GLU 249 N 1.07 1.10 0.04 0.00 4.57 -1.31 -1.08 114.58 118.96 1ojx h GLU 249 Ca 0.26 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1ojx h GLU 249 Cb 0.16 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1ojx h GLU 249 CO -0.03 0.81 -0.02 1.25 -1.18 0.00 0.00 179.01 179.84 1ojx h LEU 250 N 1.10 -0.04 -0.05 1.64 5.85 -0.57 -1.92 115.31 121.32 1ojx h LEU 250 Ca 0.28 -0.47 -0.09 0.00 0.84 0.00 0.00 57.88 58.44 1ojx h LEU 250 Cb 0.04 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1ojx h LEU 250 CO -0.04 0.46 -0.31 0.58 -0.34 0.00 0.00 178.44 178.79 1ojx h VAL 251 N -0.56 1.45 0.00 1.05 2.07 -0.82 -3.29 116.25 116.14 1ojx h VAL 251 Ca -0.00 -1.77 -0.04 0.00 0.82 0.00 0.00 66.70 65.70 1ojx h VAL 251 Cb 0.51 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1ojx h VAL 251 CO 0.01 0.50 -0.59 1.88 0.02 0.00 0.00 177.57 179.39 1ojx h TYR 252 N -0.22 0.00 0.00 1.57 0.05 -1.35 -3.46 116.97 113.56 1ojx h TYR 252 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1ojx h TYR 252 Cb 0.98 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.72 1ojx h TYR 252 CO 0.14 0.18 0.00 0.41 -1.05 0.00 0.00 178.16 177.84