#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uak h HIS 0 N 0.00 0.00 -3.52 7.33 -0.00 -1.60 -3.45 115.15 113.91 1uak h HIS 0 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 60.08 1uak h HIS 0 Cb 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 27.41 27.07 1uak h HIS 0 CO 0.00 0.75 -0.72 1.41 -0.00 0.00 0.00 177.93 179.36 1uak s MET 1 N -2.96 -0.03 -0.15 2.45 0.00 -1.15 -4.73 119.30 112.74 1uak s MET 1 Ca 0.02 0.18 -0.00 0.00 0.00 0.00 0.00 55.69 55.89 1uak s MET 1 Cb 0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 34.83 34.68 1uak s MET 1 CO 0.78 -0.16 -0.13 -0.46 0.00 0.00 0.00 175.02 175.05 1uak s TRP 2 N 1.02 2.81 -0.18 4.11 -0.00 0.01 -1.61 118.94 125.10 1uak s TRP 2 Ca -0.08 -0.85 0.01 0.00 -0.00 0.00 0.00 56.10 55.17 1uak s TRP 2 Cb -0.12 -1.89 0.03 0.00 -0.00 0.00 0.00 33.47 31.49 1uak s TRP 2 CO -0.03 -0.36 -0.13 0.42 -0.00 0.00 0.00 176.95 176.85 1uak s ILE 3 N 0.66 1.68 0.06 5.86 1.01 0.75 -1.37 121.20 129.86 1uak s ILE 3 Ca -0.07 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 59.52 1uak s ILE 3 Cb -0.15 -1.66 -0.06 0.00 0.01 0.00 0.00 42.46 40.59 1uak s ILE 3 CO 0.02 0.32 0.54 -0.83 0.00 0.00 0.00 174.94 174.99 1uak s GLY 4 N 1.41 2.63 -0.07 6.18 0.00 0.34 -1.61 107.32 116.20 1uak s GLY 4 Ca 0.02 -0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.74 1uak s GLY 4 CO -0.10 0.40 -0.12 0.14 0.00 0.00 0.00 173.10 173.42 1uak s VAL 5 N -1.11 1.12 -0.29 1.40 1.01 0.79 0.94 120.40 124.25 1uak s VAL 5 Ca 0.28 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 1uak s VAL 5 Cb -0.19 -1.03 -0.00 0.00 0.00 0.00 0.00 36.38 35.16 1uak s VAL 5 CO 0.18 0.35 0.10 -0.63 0.00 0.00 0.00 175.10 175.10 1uak s ILE 6 N 0.72 4.22 -0.12 2.22 -1.09 0.24 -0.42 121.20 126.97 1uak s ILE 6 Ca -0.14 -0.54 -0.24 0.00 -2.23 0.00 0.00 60.65 57.51 1uak s ILE 6 Cb -0.16 -3.14 0.06 0.00 -1.58 0.00 0.00 42.46 37.64 1uak s ILE 6 CO 0.03 0.11 0.58 -0.55 -1.23 0.00 0.00 174.94 173.88 1uak s SER 7 N 1.55 -0.57 0.19 3.58 0.15 -0.62 -1.07 113.70 116.91 1uak s SER 7 Ca 0.04 0.82 0.25 0.00 0.70 0.00 0.00 55.95 57.76 1uak s SER 7 Cb -0.17 0.80 0.90 0.00 -1.71 0.00 0.00 66.02 65.85 1uak s SER 7 CO 0.04 -0.41 1.75 0.18 1.20 0.00 0.00 173.24 176.00 1uak n LEU 8 N 1.77 0.62 -3.25 3.45 4.77 -1.26 -4.01 117.00 119.08 1uak n LEU 8 Ca -0.17 0.59 -0.25 0.00 -0.03 0.00 0.00 56.01 56.16 1uak n LEU 8 Cb 0.56 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 41.14 1uak n LEU 8 CO 0.16 -0.30 -0.12 0.49 -1.33 0.00 0.00 177.39 176.29 1uak n PHE 9 N -2.12 1.48 -0.29 -1.77 3.01 -1.26 -4.95 117.46 111.56 1uak n PHE 9 Ca 0.04 -3.84 0.20 0.00 1.01 0.00 0.00 57.45 54.86 1uak n PHE 9 Cb 0.33 -0.44 0.48 0.00 -0.01 0.00 0.00 39.48 39.84 1uak n PHE 9 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1uak h PRO 10 N 3.89 0.44 0.00 -1.08 0.11 -1.95 -1.46 132.00 131.95 1uak h PRO 10 Ca 0.12 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1uak h PRO 10 Cb 0.78 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.79 1uak h PRO 10 CO 0.63 0.29 -0.02 0.93 -0.21 0.00 0.00 178.00 179.63 1uak h GLU 11 N 0.46 0.00 -0.22 1.05 5.08 -1.96 -2.16 114.58 116.84 1uak h GLU 11 Ca 0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.88 1uak h GLU 11 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1uak h GLU 11 CO -0.24 0.02 0.08 0.52 -1.00 0.00 0.00 179.01 178.38 1uak h MET 12 N 0.00 0.30 0.00 2.33 2.86 -1.70 -2.31 114.93 116.41 1uak h MET 12 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1uak h MET 12 Cb 0.09 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1uak h MET 12 CO 0.00 0.26 0.00 1.19 1.06 0.00 0.00 176.91 179.42 1uak n PHE 13 N -4.44 0.00 0.28 -0.22 3.01 -0.81 -1.80 117.46 113.48 1uak n PHE 13 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.61 1uak n PHE 13 Cb 0.13 -0.42 0.82 0.00 -0.01 0.00 0.00 39.48 40.00 1uak n PHE 13 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1uak h LYS 14 N 0.00 0.00 -0.76 -1.08 1.57 -1.60 -1.33 116.57 113.37 1uak h LYS 14 Ca 0.00 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.92 1uak h LYS 14 Cb 0.16 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1uak h LYS 14 CO 0.00 0.07 0.50 0.00 -0.57 0.00 0.00 179.45 179.45 1uak h ALA 15 N 1.93 2.07 0.00 3.86 0.00 -1.58 0.26 119.26 125.81 1uak h ALA 15 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1uak h ALA 15 Cb 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1uak h ALA 15 CO 0.01 -0.27 -1.91 0.44 0.00 0.00 0.00 179.25 177.52 1uak n ILE 16 N -4.49 0.66 0.43 0.00 -5.35 -0.71 -4.20 119.36 105.70 1uak n ILE 16 Ca 0.14 -0.53 0.12 0.00 -0.27 0.00 0.00 62.75 62.21 1uak n ILE 16 Cb 0.51 -0.36 0.24 0.00 -1.74 0.00 0.00 39.64 38.29 1uak n ILE 16 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1uak h THR 17 N 0.00 0.00 -0.01 7.28 1.35 -1.06 -1.71 112.91 118.76 1uak h THR 17 Ca -0.26 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1uak h THR 17 Cb 1.50 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.49 1uak h THR 17 CO 0.01 0.00 -0.18 -0.62 -0.25 0.00 0.00 175.52 174.48 1uak n GLU 18 N -2.55 1.89 -4.05 4.72 1.02 0.06 -4.43 120.64 117.31 1uak n GLU 18 Ca 0.04 -0.66 -0.13 0.00 -0.02 0.00 0.00 57.16 56.39 1uak n GLU 18 Cb 0.48 -1.09 -0.12 0.00 -0.02 0.00 0.00 31.44 30.69 1uak n GLU 18 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1uak s PHE 19 N -1.28 0.58 0.00 -0.32 0.40 -1.26 -4.87 117.98 111.23 1uak s PHE 19 Ca 0.09 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1uak s PHE 19 Cb 0.08 -0.35 0.00 0.00 0.51 0.00 0.00 43.02 43.26 1uak s PHE 19 CO 0.23 -0.09 0.00 0.41 0.70 0.00 0.00 175.22 176.47 1uak n GLY 20 N 1.63 -0.01 0.37 4.36 0.00 -1.26 -1.51 105.19 108.76 1uak n GLY 20 Ca -0.22 -0.93 0.10 0.00 0.00 0.00 0.00 46.02 44.98 1uak n GLY 20 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1uak h VAL 21 N 0.00 0.88 -0.38 1.61 -1.51 -1.94 0.27 116.25 115.18 1uak h VAL 21 Ca 0.00 -0.25 -0.13 0.00 -1.23 0.00 0.00 66.70 65.09 1uak h VAL 21 Cb 0.00 0.07 -0.01 0.00 -2.13 0.00 0.00 31.29 29.22 1uak h VAL 21 CO 0.00 0.13 -0.29 0.71 -1.23 0.00 0.00 177.57 176.90 1uak h THR 22 N 0.74 1.28 -0.62 7.19 1.35 -1.79 0.40 112.91 121.45 1uak h THR 22 Ca 0.43 -1.43 -0.07 0.00 -0.55 0.00 0.00 66.41 64.79 1uak h THR 22 Cb 0.62 1.29 -0.03 0.00 -1.73 0.00 0.00 68.15 68.30 1uak h THR 22 CO -0.19 0.47 0.09 1.23 -0.25 0.00 0.00 175.52 176.87 1uak h GLY 23 N 0.93 1.10 0.90 5.82 0.00 -0.03 -1.30 103.07 110.48 1uak h GLY 23 Ca 0.08 -0.72 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 1uak h GLY 23 CO 0.07 0.67 0.05 -0.09 0.00 0.00 0.00 176.54 177.24 1uak h ARG 24 N 0.96 0.52 -0.94 4.80 9.65 -0.73 -1.95 114.38 126.68 1uak h ARG 24 Ca 0.19 -0.14 0.09 0.00 -1.10 0.00 0.00 59.98 59.02 1uak h ARG 24 Cb 0.42 -0.06 -0.07 0.00 -1.39 0.00 0.00 29.97 28.87 1uak h ARG 24 CO 0.01 0.61 0.59 0.00 2.80 0.00 0.00 179.97 183.98 1uak h ALA 25 N 0.89 1.35 0.04 2.80 0.00 -0.56 0.05 119.26 123.84 1uak h ALA 25 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1uak h ALA 25 Cb 0.34 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1uak h ALA 25 CO 0.01 0.28 -0.02 0.28 0.00 0.00 0.00 179.25 179.80 1uak h VAL 26 N 1.01 1.22 -0.41 0.00 2.07 -1.03 0.40 116.25 119.51 1uak h VAL 26 Ca 0.44 -0.86 0.04 0.00 0.82 0.00 0.00 66.70 67.14 1uak h VAL 26 Cb 0.30 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1uak h VAL 26 CO -0.22 0.22 0.27 0.11 0.02 0.00 0.00 177.57 177.98 1uak h LYS 27 N -0.44 0.37 -0.28 1.57 1.57 -0.99 -0.42 116.57 117.95 1uak h LYS 27 Ca -0.01 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1uak h LYS 27 Cb 0.40 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1uak h LYS 27 CO 0.01 0.24 0.00 0.72 -0.57 0.00 0.00 179.45 179.85 1uak n HIS 28 N -4.48 0.38 -1.90 -1.35 8.25 -0.03 -4.92 115.22 111.17 1uak n HIS 28 Ca 0.05 -0.19 -0.19 0.00 -0.26 0.00 0.00 57.72 57.13 1uak n HIS 28 Cb 0.20 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.26 1uak n HIS 28 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1uak n ASN 29 N 0.34 -5.41 0.02 0.41 3.02 -0.17 -4.84 115.26 108.63 1uak n ASN 29 Ca 0.10 0.26 -0.08 0.00 -0.03 0.00 0.00 54.58 54.84 1uak n ASN 29 Cb 0.25 -4.54 -0.13 0.00 -0.61 0.00 0.00 39.78 34.75 1uak n ASN 29 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1uak h LEU 30 N 0.00 0.00 -7.96 3.41 3.38 -1.15 -3.19 115.31 109.80 1uak h LEU 30 Ca -0.42 -0.01 -0.50 0.00 0.09 0.00 0.00 57.88 57.05 1uak h LEU 30 Cb 1.29 -0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.71 1uak h LEU 30 CO 0.56 1.00 -0.81 -0.22 0.09 0.00 0.00 178.44 179.07 1uak s LEU 31 N -6.42 1.63 -0.14 1.67 2.96 -1.05 -2.17 118.68 115.16 1uak s LEU 31 Ca -0.02 -0.27 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1uak s LEU 31 Cb 0.09 -0.76 0.01 0.00 0.50 0.00 0.00 46.19 46.03 1uak s LEU 31 CO 0.82 0.03 -0.22 -0.75 -1.32 0.00 0.00 176.35 174.92 1uak s LYS 32 N 0.63 3.03 -0.20 1.98 2.36 -0.63 -4.09 119.74 122.83 1uak s LYS 32 Ca -0.13 -0.85 0.01 0.00 -2.55 0.00 0.00 55.97 52.46 1uak s LYS 32 Cb -0.15 -2.45 0.03 0.00 -1.05 0.00 0.00 37.83 34.21 1uak s LYS 32 CO 0.03 -0.01 -0.18 0.08 1.55 0.00 0.00 175.35 176.82 1uak s VAL 33 N 0.82 2.07 -0.09 4.02 1.01 -1.26 -0.18 120.40 126.79 1uak s VAL 33 Ca -0.07 -1.10 0.04 0.00 0.00 0.00 0.00 61.98 60.84 1uak s VAL 33 Cb -0.15 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1uak s VAL 33 CO -0.02 0.40 -0.22 -0.70 0.00 0.00 0.00 175.10 174.56 1uak s GLU 34 N 1.25 2.72 0.08 2.72 2.12 -0.64 -5.01 118.70 121.95 1uak s GLU 34 Ca 0.02 -0.78 0.06 0.00 0.36 0.00 0.00 54.97 54.63 1uak s GLU 34 Cb -0.15 -2.10 -0.04 0.00 0.26 0.00 0.00 34.13 32.11 1uak s GLU 34 CO -0.11 0.16 -0.09 0.00 -0.54 0.00 0.00 175.26 174.69 1uak s TRP 36 N -1.18 1.25 -0.30 0.00 0.51 0.44 -4.94 118.94 114.72 1uak s TRP 36 Ca 0.21 -0.44 -0.08 0.00 -2.12 0.00 0.00 56.10 53.67 1uak s TRP 36 Cb -0.11 -0.95 -0.00 0.00 -0.81 0.00 0.00 33.47 31.60 1uak s TRP 36 CO 0.13 -0.25 0.12 1.21 -0.51 0.00 0.00 176.95 177.65 1uak s ASN 37 N 0.73 5.37 0.53 2.95 3.84 -1.26 -1.59 114.94 125.51 1uak s ASN 37 Ca -0.14 -0.54 0.35 0.00 0.21 0.00 0.00 52.86 52.74 1uak s ASN 37 Cb -0.15 -1.96 1.51 0.00 -0.55 0.00 0.00 41.25 40.10 1uak s ASN 37 CO 0.03 -0.17 1.79 -0.65 -2.79 0.00 0.00 177.10 175.31 1uak h PRO 38 N 8.30 0.04 0.00 0.43 0.11 -1.83 0.28 132.00 139.33 1uak h PRO 38 Ca -0.33 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.77 1uak h PRO 38 Cb 1.14 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1uak h PRO 38 CO 0.61 0.03 -0.05 -0.09 -0.21 0.00 0.00 178.00 178.28 1uak h ARG 39 N 0.04 0.00 0.00 1.05 2.43 -1.90 0.27 114.38 116.28 1uak h ARG 39 Ca 0.58 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.75 1uak h ARG 39 Cb 2.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.79 1uak h ARG 39 CO -0.04 0.05 0.00 -0.25 -1.51 0.00 0.00 179.97 178.22 1uak n ASP 40 N -4.46 0.00 -0.82 -3.80 10.43 0.97 -2.69 116.55 116.19 1uak n ASP 40 Ca -0.03 0.50 0.07 0.00 2.57 0.00 0.00 54.79 57.91 1uak n ASP 40 Cb 0.13 -0.50 0.19 0.00 1.84 0.00 0.00 41.12 42.78 1uak n ASP 40 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1uak n PHE 41 N -1.50 0.54 -2.19 1.24 3.01 0.08 -4.99 117.46 113.65 1uak n PHE 41 Ca 0.04 -0.44 -0.29 0.00 1.01 0.00 0.00 57.45 57.77 1uak n PHE 41 Cb 0.22 -0.02 0.01 0.00 -0.01 0.00 0.00 39.48 39.68 1uak n PHE 41 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1uak s THR 42 N -1.03 4.54 0.00 4.37 -4.23 -1.10 -4.62 115.64 113.57 1uak s THR 42 Ca 0.29 0.51 0.00 0.00 -1.18 0.00 0.00 61.69 61.32 1uak s THR 42 Cb 0.16 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1uak s THR 42 CO 0.21 -0.92 0.00 0.49 -0.54 0.00 0.00 174.62 173.86 1uak n PHE 43 N -2.59 0.00 -2.31 3.99 3.01 -1.26 -4.98 117.46 113.31 1uak n PHE 43 Ca 0.04 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.19 1uak n PHE 43 Cb 0.55 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.01 1uak n PHE 43 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1uak s ASP 44 N -0.95 6.42 0.34 4.37 -4.77 -1.26 -4.95 116.67 115.87 1uak s ASP 44 Ca 0.00 1.37 0.13 0.00 -3.30 0.00 0.00 52.55 50.74 1uak s ASP 44 Cb 0.00 -2.43 0.98 0.00 -1.09 0.00 0.00 42.92 40.37 1uak s ASP 44 CO 0.00 -0.66 1.72 0.50 0.70 0.00 0.00 175.17 177.43 1uak h LYS 45 N 0.45 0.47 -0.65 2.11 3.64 -2.02 -1.15 116.57 119.42 1uak h LYS 45 Ca -0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1uak h LYS 45 Cb 1.19 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1uak h LYS 45 CO 0.62 0.31 0.00 0.72 -2.27 0.00 0.00 179.45 178.83 1uak n HIS 46 N -4.87 1.32 -3.99 1.91 8.25 -1.26 -4.97 115.22 111.60 1uak n HIS 46 Ca 0.28 -0.53 -0.40 0.00 -0.26 0.00 0.00 57.72 56.81 1uak n HIS 46 Cb 0.83 -0.21 0.01 0.00 1.12 0.00 0.00 29.99 31.74 1uak n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1uak n LYS 47 N 1.03 -0.77 -2.31 -0.41 5.02 -0.44 -4.86 118.16 115.42 1uak n LYS 47 Ca 0.23 0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 56.29 1uak n LYS 47 Cb 0.80 -3.18 -0.03 0.00 -0.02 0.00 0.00 35.03 32.60 1uak n LYS 47 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1uak s THR 48 N -3.63 3.81 -0.17 -0.18 2.01 -1.26 -4.93 115.64 111.29 1uak s THR 48 Ca 0.41 1.25 0.02 0.00 0.31 0.00 0.00 61.69 63.67 1uak s THR 48 Cb -0.20 -3.80 0.03 0.00 0.01 0.00 0.00 72.50 68.54 1uak s THR 48 CO 0.94 0.05 0.78 1.33 -0.69 0.00 0.00 174.62 177.03 1uak n VAL 49 N 4.27 0.47 -4.59 3.82 0.24 -1.26 -4.91 118.33 116.38 1uak n VAL 49 Ca 0.11 -0.74 -0.27 0.00 -2.04 0.00 0.00 64.34 61.40 1uak n VAL 49 Cb 0.45 0.78 -0.11 0.00 -1.47 0.00 0.00 33.84 33.49 1uak n VAL 49 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1uak s ASP 50 N -0.55 3.75 0.16 -1.34 -4.77 -1.26 -0.61 116.67 112.06 1uak s ASP 50 Ca 0.03 -1.34 -0.21 0.00 -3.30 0.00 0.00 52.55 47.73 1uak s ASP 50 Cb 0.02 -0.37 0.06 0.00 -1.09 0.00 0.00 42.92 41.53 1uak s ASP 50 CO 0.02 -0.41 0.55 -0.62 0.70 0.00 0.00 175.17 175.41 1uak s ASP 51 N -3.68 -0.45 0.22 2.11 -1.08 0.39 -4.41 116.67 109.78 1uak s ASP 51 Ca 0.35 -0.15 -0.30 0.00 -0.52 0.00 0.00 52.55 51.93 1uak s ASP 51 Cb 0.09 0.57 -0.09 0.00 -1.46 0.00 0.00 42.92 42.03 1uak s ASP 51 CO 0.18 -0.97 1.11 -0.13 0.52 0.00 0.00 175.17 175.88 1uak s ARG 52 N -3.78 4.60 0.17 4.34 3.00 -1.26 -1.22 118.95 124.79 1uak s ARG 52 Ca 0.03 1.78 -0.30 0.00 0.00 0.00 0.00 55.73 57.23 1uak s ARG 52 Cb -0.01 -3.23 -0.07 0.00 0.00 0.00 0.00 34.95 31.64 1uak s ARG 52 CO -0.11 0.11 0.97 -1.25 0.00 0.00 0.00 175.30 175.02 1uak s PRO 53 N -0.81 4.75 0.46 3.54 0.04 -1.26 -4.89 135.00 136.84 1uak s PRO 53 Ca 0.48 1.49 -0.24 0.00 0.04 0.00 0.00 61.00 62.77 1uak s PRO 53 Cb -0.31 -3.33 -0.07 0.00 0.04 0.00 0.00 34.50 30.83 1uak s PRO 53 CO 0.38 0.32 1.27 0.71 0.04 0.00 0.00 177.00 179.72 1uak s TYR 54 N -0.50 2.69 0.00 0.56 2.02 -1.26 -2.38 117.35 118.49 1uak s TYR 54 Ca 0.45 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.59 1uak s TYR 54 Cb -0.25 -3.61 0.00 0.00 -0.40 0.00 0.00 41.96 37.70 1uak s TYR 54 CO 0.31 -2.12 0.00 0.41 -1.57 0.00 0.00 175.55 172.58 1uak n GLY 55 N 0.61 0.97 7.00 0.71 0.00 -1.26 -4.93 105.19 108.30 1uak n GLY 55 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1uak n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uak n GLY 56 N -2.00 -0.64 0.00 -0.02 0.00 -1.00 -5.08 105.19 96.46 1uak n GLY 56 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.89 1uak n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uak n GLY 57 N 0.00 1.78 3.71 -0.02 0.00 -1.26 -4.79 105.19 104.62 1uak n GLY 57 Ca 0.00 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 1uak n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uak s PRO 58 N -3.50 1.16 0.00 1.61 0.04 -1.26 -4.90 135.00 128.16 1uak s PRO 58 Ca 0.00 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1uak s PRO 58 Cb 0.00 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1uak s PRO 58 CO 0.00 -2.30 0.00 0.41 0.04 0.00 0.00 177.00 175.15 1uak n GLY 59 N -1.12 -1.27 3.63 0.56 0.00 -1.26 -5.02 105.19 100.71 1uak n GLY 59 Ca 0.07 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.20 1uak n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1uak s MET 60 N -2.43 2.03 0.23 1.61 -1.94 -1.26 -4.54 119.30 113.00 1uak s MET 60 Ca 0.00 -2.26 0.04 0.00 -1.71 0.00 0.00 55.69 51.76 1uak s MET 60 Cb 0.00 -1.14 -0.05 0.00 2.01 0.00 0.00 34.83 35.65 1uak s MET 60 CO 0.00 -0.37 -0.02 -0.51 -0.01 0.00 0.00 175.02 174.12 1uak s LEU 61 N -3.73 2.25 0.31 -0.03 1.43 -0.36 -0.69 118.68 117.86 1uak s LEU 61 Ca 0.17 -1.20 -0.29 0.00 -1.03 0.00 0.00 54.13 51.78 1uak s LEU 61 Cb 0.03 -0.33 -0.10 0.00 0.03 0.00 0.00 46.19 45.82 1uak s LEU 61 CO 0.10 -0.48 1.33 -0.04 0.23 0.00 0.00 176.35 177.49 1uak s MET 62 N -3.84 4.34 0.20 1.70 -1.94 -0.39 -0.46 119.30 118.92 1uak s MET 62 Ca 0.28 2.23 -0.30 0.00 -1.71 0.00 0.00 55.69 56.18 1uak s MET 62 Cb 0.05 -3.08 -0.09 0.00 2.01 0.00 0.00 34.83 33.72 1uak s MET 62 CO 0.09 -0.24 1.31 1.41 -0.01 0.00 0.00 175.02 177.58 1uak s MET 63 N -1.44 4.39 0.06 2.03 1.75 0.22 -4.59 119.30 121.72 1uak s MET 63 Ca 0.51 2.06 -0.36 0.00 -1.25 0.00 0.00 55.69 56.65 1uak s MET 63 Cb -0.40 -3.19 -0.20 0.00 2.84 0.00 0.00 34.83 33.88 1uak s MET 63 CO 0.50 -0.25 1.52 0.28 -0.65 0.00 0.00 175.02 176.42 1uak h VAL 64 N 3.73 0.03 -0.39 10.11 2.07 -1.92 -3.10 116.25 126.77 1uak h VAL 64 Ca -0.45 -0.04 0.08 0.00 0.82 0.00 0.00 66.70 67.12 1uak h VAL 64 Cb 1.21 0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.92 1uak h VAL 64 CO 0.77 0.00 -0.23 -0.61 0.02 0.00 0.00 177.57 177.52 1uak h GLN 65 N -1.32 -0.16 -0.66 1.57 -0.00 -1.98 0.49 115.11 113.04 1uak h GLN 65 Ca -0.13 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.49 1uak h GLN 65 Cb 0.99 0.04 -0.03 0.00 0.00 0.00 0.00 27.48 28.48 1uak h GLN 65 CO 0.22 -0.10 0.28 -1.35 0.00 0.00 0.00 178.83 177.87 1uak h PRO 66 N -0.16 0.98 -0.31 -2.39 0.11 -1.82 -1.04 132.00 127.37 1uak h PRO 66 Ca 0.19 -0.17 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 1uak h PRO 66 Cb 0.46 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1uak h PRO 66 CO -0.49 0.81 -0.03 1.25 -0.21 0.00 0.00 178.00 179.34 1uak h LEU 67 N 0.93 0.57 -0.55 2.35 5.85 -1.34 -1.57 115.31 121.55 1uak h LEU 67 Ca 0.22 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1uak h LEU 67 Cb 0.19 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 1uak h LEU 67 CO -0.02 0.76 0.36 -0.09 -0.34 0.00 0.00 178.44 179.11 1uak h ARG 68 N 0.36 0.73 -0.43 1.25 2.43 0.08 -0.74 114.38 118.05 1uak h ARG 68 Ca 0.09 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 1uak h ARG 68 Cb 0.48 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1uak h ARG 68 CO 0.02 0.49 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.40 1uak h ASP 69 N 0.74 0.78 -0.52 -3.80 3.32 -1.13 -1.20 116.42 114.62 1uak h ASP 69 Ca 0.20 -0.25 -0.03 0.00 0.02 0.00 0.00 57.03 56.97 1uak h ASP 69 Cb -0.07 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 1uak h ASP 69 CO -0.04 0.93 0.19 0.00 -1.72 0.00 0.00 179.24 178.60 1uak h ALA 70 N 1.14 0.67 -0.33 3.45 0.00 -0.88 -1.77 119.26 121.54 1uak h ALA 70 Ca 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1uak h ALA 70 Cb 0.62 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1uak h ALA 70 CO 0.04 0.31 0.18 0.82 0.00 0.00 0.00 179.25 180.60 1uak h ILE 71 N 0.70 1.14 -0.91 0.00 2.04 -0.85 -1.93 117.51 117.69 1uak h ILE 71 Ca 0.17 -0.36 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1uak h ILE 71 Cb 0.23 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 1uak h ILE 71 CO -0.01 0.14 0.60 0.45 0.00 0.00 0.00 178.15 179.33 1uak h HIS 72 N 0.41 1.13 -0.68 1.37 3.86 -1.04 -0.83 115.15 119.38 1uak h HIS 72 Ca 0.12 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.28 1uak h HIS 72 Cb 0.06 -0.38 -0.03 0.00 1.06 0.00 0.00 27.41 28.13 1uak h HIS 72 CO -0.03 0.70 0.12 1.15 0.86 0.00 0.00 177.93 180.73 1uak h THR 73 N 1.21 1.26 -0.39 2.45 2.02 -1.08 -1.14 112.91 117.23 1uak h THR 73 Ca 0.34 -1.03 -0.04 0.00 0.77 0.00 0.00 66.41 66.46 1uak h THR 73 Cb -0.10 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1uak h THR 73 CO -0.08 0.39 0.10 0.00 0.37 0.00 0.00 175.52 176.30 1uak h ALA 74 N 1.08 0.51 -0.37 6.16 0.00 -0.81 -1.20 119.26 124.64 1uak h ALA 74 Ca 0.21 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1uak h ALA 74 Cb 0.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1uak h ALA 74 CO 0.01 0.18 0.13 0.87 0.00 0.00 0.00 179.25 180.44 1uak h LYS 75 N 0.49 0.52 -0.31 0.00 1.57 -0.91 0.21 116.57 118.13 1uak h LYS 75 Ca 0.12 -0.07 -0.16 0.00 -1.87 0.00 0.00 60.65 58.67 1uak h LYS 75 Cb 0.29 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1uak h LYS 75 CO -0.00 0.45 -0.45 0.00 -0.57 0.00 0.00 179.45 178.88 1uak h ALA 76 N 1.63 0.62 -0.00 3.86 0.00 -0.84 -1.63 119.26 122.89 1uak h ALA 76 Ca 0.13 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.42 1uak h ALA 76 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1uak h ALA 76 CO -0.01 0.67 -0.69 0.00 0.00 0.00 0.00 179.25 179.23 1uak h ALA 77 N 0.84 0.86 -0.06 0.00 0.00 -0.45 -3.24 119.26 117.21 1uak h ALA 77 Ca 0.04 -0.62 -0.25 0.00 0.00 0.00 0.00 54.91 54.08 1uak h ALA 77 Cb 1.02 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.72 1uak h ALA 77 CO 0.10 0.85 -0.94 0.00 0.00 0.00 0.00 179.25 179.26 1uak h ALA 78 N 1.30 0.21 0.00 0.00 0.00 -0.48 -3.50 119.26 116.78 1uak h ALA 78 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1uak h ALA 78 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1uak h ALA 78 CO 0.09 0.69 0.00 0.41 0.00 0.00 0.00 179.25 180.44 1uak n GLY 79 N 0.92 -1.78 3.83 0.00 0.00 -0.63 -4.85 105.19 102.70 1uak n GLY 79 Ca -0.10 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 1uak n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uak s GLU 80 N 0.00 4.11 0.00 1.61 8.01 -1.26 -4.15 118.70 127.02 1uak s GLU 80 Ca 0.00 0.87 0.00 0.00 0.01 0.00 0.00 54.97 55.85 1uak s GLU 80 Cb 0.00 -2.35 0.00 0.00 -4.31 0.00 0.00 34.13 27.47 1uak s GLU 80 CO 0.00 0.09 0.00 0.41 0.01 0.00 0.00 175.26 175.77 1uak n GLY 81 N -0.43 0.26 3.69 -1.39 0.00 -1.26 -5.06 105.19 100.99 1uak n GLY 81 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1uak n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uak s ALA 82 N -2.08 3.41 -0.12 4.61 0.00 -1.26 -4.73 121.76 121.60 1uak s ALA 82 Ca 0.00 0.52 -0.22 0.00 0.00 0.00 0.00 51.96 52.26 1uak s ALA 82 Cb 0.00 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1uak s ALA 82 CO 0.00 -0.61 0.67 0.21 0.00 0.00 0.00 175.76 176.03 1uak s LYS 83 N 1.92 4.35 -0.27 0.00 2.20 -1.13 -4.89 119.74 121.91 1uak s LYS 83 Ca 0.52 0.78 -0.14 0.00 -0.36 0.00 0.00 55.97 56.77 1uak s LYS 83 Cb -0.22 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.57 1uak s LYS 83 CO 0.21 -0.05 0.34 0.08 -0.36 0.00 0.00 175.35 175.57 1uak s VAL 84 N 1.23 5.20 -0.06 4.02 1.01 -1.26 -1.60 120.40 128.93 1uak s VAL 84 Ca 0.34 0.48 0.03 0.00 0.00 0.00 0.00 61.98 62.83 1uak s VAL 84 Cb -0.17 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.51 1uak s VAL 84 CO 0.14 0.16 -0.15 -0.63 0.00 0.00 0.00 175.10 174.63 1uak s ILE 85 N 2.02 3.02 -0.19 2.22 1.01 0.42 -0.50 121.20 129.20 1uak s ILE 85 Ca 0.13 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 60.02 1uak s ILE 85 Cb -0.16 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.10 1uak s ILE 85 CO 0.10 0.58 -0.04 -0.47 0.00 0.00 0.00 174.94 175.12 1uak s TYR 86 N -0.58 2.98 -0.12 3.97 6.04 -0.29 -0.17 117.35 129.17 1uak s TYR 86 Ca 0.08 -0.64 -0.29 0.00 0.04 0.00 0.00 57.07 56.26 1uak s TYR 86 Cb -0.11 -2.05 -0.01 0.00 -1.04 0.00 0.00 41.96 38.75 1uak s TYR 86 CO 0.01 -0.33 1.09 -0.51 -1.54 0.00 0.00 175.55 174.28 1uak s LEU 87 N 1.02 4.22 -0.20 6.97 2.01 -1.05 -1.63 118.68 130.02 1uak s LEU 87 Ca 0.01 1.59 -0.27 0.00 0.01 0.00 0.00 54.13 55.47 1uak s LEU 87 Cb -0.15 -3.55 0.07 0.00 0.01 0.00 0.00 46.19 42.58 1uak s LEU 87 CO 0.01 -0.56 0.73 -0.55 1.01 0.00 0.00 176.35 176.99 1uak s SER 88 N 1.31 -0.70 0.00 2.29 0.15 0.54 -4.66 113.70 112.63 1uak s SER 88 Ca 0.50 1.17 0.13 0.00 0.70 0.00 0.00 55.95 58.44 1uak s SER 88 Cb -0.20 1.12 0.55 0.00 -1.71 0.00 0.00 66.02 65.79 1uak s SER 88 CO 0.16 -0.36 1.40 -0.81 1.20 0.00 0.00 173.24 174.84 1uak n PRO 89 N 2.06 0.02 0.00 5.44 -0.04 -1.26 -1.25 135.00 139.97 1uak n PRO 89 Ca -0.15 0.27 0.13 0.00 -0.04 0.00 0.00 63.50 63.71 1uak n PRO 89 Cb 0.56 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.93 1uak n PRO 89 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1uak n GLN 90 N -1.48 1.61 -1.79 0.54 3.00 -1.26 -4.90 117.38 113.10 1uak n GLN 90 Ca 0.03 -1.04 -0.18 0.00 -0.01 0.00 0.00 57.00 55.81 1uak n GLN 90 Cb 0.14 -1.48 0.10 0.00 0.00 0.00 0.00 30.24 29.01 1uak n GLN 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1uak n GLY 91 N 1.24 0.03 3.71 1.08 0.00 -0.38 -4.98 105.19 105.89 1uak n GLY 91 Ca 0.17 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1uak n GLY 91 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uak s ARG 92 N -4.54 4.21 -0.04 1.61 3.52 -0.09 -4.19 118.95 119.43 1uak s ARG 92 Ca 0.49 2.36 -0.30 0.00 -0.13 0.00 0.00 55.73 58.15 1uak s ARG 92 Cb -0.02 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 30.08 1uak s ARG 92 CO 0.33 -0.64 1.48 0.21 -0.81 0.00 0.00 175.30 175.88 1uak s LYS 93 N 1.43 4.23 0.31 5.12 2.20 -1.26 -0.72 119.74 131.05 1uak s LYS 93 Ca 0.71 2.02 -0.29 0.00 -0.36 0.00 0.00 55.97 58.05 1uak s LYS 93 Cb -0.43 -3.75 -0.10 0.00 -1.51 0.00 0.00 37.83 32.04 1uak s LYS 93 CO 0.31 -0.70 1.34 -1.17 -0.36 0.00 0.00 175.35 174.78 1uak s LEU 94 N 3.16 4.41 0.24 5.43 2.96 0.10 -4.92 118.68 130.07 1uak s LEU 94 Ca 0.66 2.69 -0.13 0.00 -0.22 0.00 0.00 54.13 57.14 1uak s LEU 94 Cb -0.31 -3.64 -0.00 0.00 0.50 0.00 0.00 46.19 42.73 1uak s LEU 94 CO 0.26 -0.59 0.47 1.51 -1.32 0.00 0.00 176.35 176.68 1uak s ASP 95 N -0.26 -0.09 0.31 3.68 3.84 -1.26 -4.86 116.67 118.03 1uak s ASP 95 Ca 0.52 -0.92 0.07 0.00 -0.00 0.00 0.00 52.55 52.21 1uak s ASP 95 Cb -0.40 0.58 0.76 0.00 -1.38 0.00 0.00 42.92 42.47 1uak s ASP 95 CO 0.51 -1.13 1.78 -0.61 -0.00 0.00 0.00 175.17 175.73 1uak h GLN 96 N 2.27 0.73 -0.64 2.11 5.75 -1.97 0.14 115.11 123.50 1uak h GLN 96 Ca -0.26 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.17 1uak h GLN 96 Cb 1.25 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.61 1uak h GLN 96 CO 0.36 0.48 0.32 0.78 -2.65 0.00 0.00 178.83 178.12 1uak h GLY 97 N 0.75 0.98 1.42 2.39 0.00 -1.96 -1.40 103.07 105.25 1uak h GLY 97 Ca 0.57 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 47.34 1uak h GLY 97 CO -0.36 0.45 -0.13 -1.33 0.00 0.00 0.00 176.54 175.17 1uak h GLY 98 N 0.88 0.74 0.99 4.60 0.00 -1.21 -2.31 103.07 106.77 1uak h GLY 98 Ca 0.22 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1uak h GLY 98 CO -0.03 0.51 0.07 -2.08 0.00 0.00 0.00 176.54 175.02 1uak h VAL 99 N 0.62 1.04 -0.20 4.60 2.07 -0.24 0.03 116.25 124.16 1uak h VAL 99 Ca 0.11 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1uak h VAL 99 Cb 0.58 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1uak h VAL 99 CO 0.04 0.03 -0.07 0.71 0.02 0.00 0.00 177.57 178.30 1uak h THR 100 N 0.14 1.17 -0.10 2.57 1.35 -1.17 0.28 112.91 117.16 1uak h THR 100 Ca 0.04 -0.71 -0.02 0.00 -0.55 0.00 0.00 66.41 65.17 1uak h THR 100 Cb -0.01 1.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1uak h THR 100 CO -0.01 0.23 -0.01 -0.08 -0.25 0.00 0.00 175.52 175.40 1uak h GLU 101 N 0.30 0.18 -0.09 4.72 4.81 -0.86 -2.97 114.58 120.67 1uak h GLU 101 Ca 0.07 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1uak h GLU 101 Cb 0.32 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1uak h GLU 101 CO 0.01 0.48 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.50 1uak h LEU 102 N -0.13 0.14 -0.50 1.64 3.38 -0.58 -2.36 115.31 116.91 1uak h LEU 102 Ca 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1uak h LEU 102 Cb 0.40 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1uak h LEU 102 CO 0.01 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1uak n ALA 103 N -2.49 1.37 0.85 1.53 0.00 0.05 -1.84 120.51 119.98 1uak n ALA 103 Ca -0.01 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.61 1uak n ALA 103 Cb 0.30 -1.24 0.54 0.00 0.00 0.00 0.00 19.45 19.05 1uak n ALA 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1uak n GLN 104 N -1.86 0.09 -3.03 0.00 6.02 -0.89 -4.79 117.38 112.93 1uak n GLN 104 Ca 0.01 0.09 -0.40 0.00 -0.01 0.00 0.00 57.00 56.69 1uak n GLN 104 Cb 0.12 -1.61 -0.05 0.00 1.02 0.00 0.00 30.24 29.72 1uak n GLN 104 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1uak s ASN 105 N -3.52 7.18 0.21 1.08 0.01 -0.77 -4.95 114.94 114.18 1uak s ASN 105 Ca 0.12 1.41 0.22 0.00 -0.71 0.00 0.00 52.86 53.90 1uak s ASN 105 Cb 0.16 -2.45 0.02 0.00 0.41 0.00 0.00 41.25 39.39 1uak s ASN 105 CO 0.54 0.05 1.09 1.56 -1.51 0.00 0.00 177.10 178.83 1uak h GLN 106 N 5.54 0.00 -4.17 -0.60 1.08 -1.86 -3.46 115.11 111.63 1uak h GLN 106 Ca -0.44 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.39 1uak h GLN 106 Cb 1.20 0.00 -0.31 0.00 -0.05 0.00 0.00 27.48 28.32 1uak h GLN 106 CO 0.70 0.04 -0.76 0.15 -0.95 0.00 0.00 178.83 178.01 1uak s LYS 107 N -3.29 0.60 -0.01 1.46 1.02 -1.26 -0.81 119.74 117.45 1uak s LYS 107 Ca 0.00 -0.14 -0.03 0.00 0.02 0.00 0.00 55.97 55.82 1uak s LYS 107 Cb 0.09 -0.61 0.00 0.00 -0.52 0.00 0.00 37.83 36.79 1uak s LYS 107 CO 0.78 0.02 0.07 -0.51 -0.92 0.00 0.00 175.35 174.79 1uak s LEU 108 N 0.40 1.78 -0.17 3.17 1.43 -0.47 -2.83 118.68 121.98 1uak s LEU 108 Ca -0.05 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1uak s LEU 108 Cb -0.08 0.33 0.02 0.00 0.03 0.00 0.00 46.19 46.49 1uak s LEU 108 CO -0.00 -0.16 -0.17 -0.63 0.23 0.00 0.00 176.35 175.62 1uak s ILE 109 N -0.57 1.85 -0.24 -0.59 1.01 -0.63 0.13 121.20 122.15 1uak s ILE 109 Ca -0.06 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 1uak s ILE 109 Cb -0.04 -1.72 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 1uak s ILE 109 CO 0.00 0.46 0.07 -0.76 0.00 0.00 0.00 174.94 174.72 1uak s LEU 110 N 1.36 3.49 -0.33 2.97 1.43 0.27 -0.44 118.68 127.44 1uak s LEU 110 Ca 0.04 -0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 52.82 1uak s LEU 110 Cb -0.13 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 1uak s LEU 110 CO -0.12 -0.01 0.36 -0.69 0.23 0.00 0.00 176.35 176.12 1uak s VAL 111 N 1.49 5.17 -0.32 -1.59 1.01 0.76 -0.59 120.40 126.34 1uak s VAL 111 Ca 0.06 0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.05 1uak s VAL 111 Cb -0.15 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 1uak s VAL 111 CO 0.04 -0.05 0.19 0.00 0.00 0.00 0.00 175.10 175.28 1uak s GLY 113 N 1.67 1.64 0.32 0.00 0.00 -1.26 -4.63 107.32 105.07 1uak s GLY 113 Ca 0.06 -1.05 0.07 0.00 0.00 0.00 0.00 44.72 43.80 1uak s GLY 113 CO 0.08 -0.82 0.27 0.54 0.00 0.00 0.00 173.10 173.17 1uak n ARG 114 N -2.28 0.40 0.00 2.90 5.12 -1.26 -1.28 116.66 120.26 1uak n ARG 114 Ca 0.04 -3.22 0.00 0.00 -1.93 0.00 0.00 57.85 52.74 1uak n ARG 114 Cb 0.58 2.59 0.00 0.00 -1.16 0.00 0.00 32.46 34.48 1uak n ARG 114 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1uak n TYR 115 N -0.63 0.00 1.53 -1.55 4.02 -1.26 -1.78 117.16 117.49 1uak n TYR 115 Ca 0.07 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.10 1uak n TYR 115 Cb 0.58 0.03 0.55 0.00 -0.02 0.00 0.00 39.34 40.49 1uak n TYR 115 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 1uak n GLU 116 N 14.00 1.59 0.00 -0.72 -0.58 0.13 -4.95 120.64 130.11 1uak n GLU 116 Ca 0.00 -0.86 0.00 0.00 -0.42 0.00 0.00 57.16 55.88 1uak n GLU 116 Cb 0.00 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 1uak n GLU 116 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uak n GLY 117 N 1.15 0.46 3.33 0.62 0.00 -0.74 -5.00 105.19 105.01 1uak n GLY 117 Ca 0.19 -1.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.06 1uak n GLY 117 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uak s ILE 118 N -1.11 1.11 0.22 -0.61 -4.36 -1.26 -1.26 121.20 113.94 1uak s ILE 118 Ca 0.00 -2.05 -0.32 0.00 -0.26 0.00 0.00 60.65 58.02 1uak s ILE 118 Cb 0.00 -2.31 -0.12 0.00 1.25 0.00 0.00 42.46 41.28 1uak s ILE 118 CO 0.00 -0.36 1.70 -0.67 0.24 0.00 0.00 174.94 175.85 1uak n ASP 119 N -0.42 3.93 0.01 4.36 2.03 -1.26 -4.89 116.55 120.31 1uak n ASP 119 Ca -0.06 1.07 0.11 0.00 0.52 0.00 0.00 54.79 56.44 1uak n ASP 119 Cb 0.64 -1.57 0.54 0.00 -0.72 0.00 0.00 41.12 40.01 1uak n ASP 119 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1uak h GLU 120 N 6.47 0.29 0.00 -0.67 4.57 -2.00 -1.40 114.58 121.83 1uak h GLU 120 Ca -0.44 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 57.66 1uak h GLU 120 Cb 1.21 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 1uak h GLU 120 CO 0.93 0.19 -0.31 0.00 -1.18 0.00 0.00 179.01 178.65 1uak h ARG 121 N 0.29 0.00 -0.17 1.92 3.08 -1.99 -2.30 114.38 115.22 1uak h ARG 121 Ca 0.20 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.10 1uak h ARG 121 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1uak h ARG 121 CO -0.04 0.31 -0.52 -0.07 -1.07 0.00 0.00 179.97 178.57 1uak h LEU 122 N 0.00 0.52 -0.53 3.04 3.38 -1.63 -0.83 115.31 119.26 1uak h LEU 122 Ca -0.00 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1uak h LEU 122 Cb 0.65 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1uak h LEU 122 CO 0.04 0.95 0.15 0.40 0.09 0.00 0.00 178.44 180.07 1uak h ILE 123 N 0.37 1.24 -0.22 1.22 2.04 -1.36 0.26 117.51 121.05 1uak h ILE 123 Ca 0.01 -0.81 -0.13 0.00 1.00 0.00 0.00 64.86 64.93 1uak h ILE 123 Cb 1.04 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.86 1uak h ILE 123 CO 0.09 0.30 -0.41 1.56 0.00 0.00 0.00 178.15 179.69 1uak h GLN 124 N 0.74 0.53 0.00 2.37 4.20 -1.23 -2.47 115.11 119.24 1uak h GLN 124 Ca 0.17 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1uak h GLN 124 Cb 0.30 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1uak h GLN 124 CO -0.00 0.85 -1.57 0.25 -0.67 0.00 0.00 178.83 177.69 1uak n THR 125 N -4.02 0.13 0.00 -0.54 -2.24 -0.33 -4.66 114.28 102.61 1uak n THR 125 Ca -0.02 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1uak n THR 125 Cb 0.52 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1uak n THR 125 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uak n GLU 126 N -2.20 1.55 -3.59 -0.78 -0.58 0.90 -5.05 120.64 110.88 1uak n GLU 126 Ca -0.02 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.36 1uak n GLU 126 Cb 0.52 -0.95 -0.07 0.00 -0.57 0.00 0.00 31.44 30.37 1uak n GLU 126 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1uak s ILE 127 N -1.83 5.29 -0.14 -3.67 -1.09 -0.93 -4.81 121.20 114.03 1uak s ILE 127 Ca 0.00 0.53 -0.17 0.00 -2.23 0.00 0.00 60.65 58.78 1uak s ILE 127 Cb 0.00 -3.60 -0.25 0.00 -1.58 0.00 0.00 42.46 37.03 1uak s ILE 127 CO 0.00 0.46 0.45 0.44 -1.23 0.00 0.00 174.94 175.06 1uak h ASP 128 N 6.09 0.25 -4.38 3.58 3.32 -1.06 -3.44 116.42 120.78 1uak h ASP 128 Ca -0.45 -0.78 -0.17 0.00 0.02 0.00 0.00 57.03 55.65 1uak h ASP 128 Cb 1.18 -0.08 -0.24 0.00 0.22 0.00 0.00 39.33 40.41 1uak h ASP 128 CO 0.71 1.57 -0.55 -1.61 -1.72 0.00 0.00 179.24 177.64 1uak s GLU 129 N -2.44 0.30 -0.17 3.56 2.02 -0.84 -5.02 118.70 116.11 1uak s GLU 129 Ca -0.23 -0.13 -0.06 0.00 0.02 0.00 0.00 54.97 54.58 1uak s GLU 129 Cb 0.04 0.13 -0.04 0.00 0.10 0.00 0.00 34.13 34.37 1uak s GLU 129 CO 0.71 -0.06 0.03 -1.21 0.02 0.00 0.00 175.26 174.75 1uak s GLU 130 N -0.66 3.87 -0.00 1.61 2.02 -1.26 -1.14 118.70 123.13 1uak s GLU 130 Ca -0.07 -0.41 0.04 0.00 0.02 0.00 0.00 54.97 54.55 1uak s GLU 130 Cb -0.05 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 31.07 1uak s GLU 130 CO 0.01 0.26 -0.13 -1.58 0.02 0.00 0.00 175.26 173.84 1uak s TRP 131 N 0.36 1.20 0.05 1.61 0.52 -0.64 -0.91 118.94 121.13 1uak s TRP 131 Ca 0.00 -0.24 0.07 0.00 0.02 0.00 0.00 56.10 55.96 1uak s TRP 131 Cb -0.13 -0.76 -0.03 0.00 -1.15 0.00 0.00 33.47 31.39 1uak s TRP 131 CO 0.01 -0.01 -0.19 0.45 0.02 0.00 0.00 176.95 177.23 1uak s SER 132 N -0.42 3.76 0.00 2.95 0.15 0.10 -0.34 113.70 119.90 1uak s SER 132 Ca 0.05 -0.45 0.25 0.00 0.70 0.00 0.00 55.95 56.50 1uak s SER 132 Cb -0.05 -0.58 0.53 0.00 -1.71 0.00 0.00 66.02 64.20 1uak s SER 132 CO -0.00 0.25 1.43 2.30 1.20 0.00 0.00 173.24 178.41 1uak n ILE 133 N 1.48 0.00 0.00 6.45 -5.35 -1.26 0.02 119.36 120.70 1uak n ILE 133 Ca -0.16 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 1uak n ILE 133 Cb 0.52 0.77 0.00 0.00 -1.74 0.00 0.00 39.64 39.20 1uak n ILE 133 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uak n GLY 134 N 1.34 1.76 2.58 3.28 0.00 -1.26 -4.70 105.19 108.19 1uak n GLY 134 Ca 0.13 -0.92 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 1uak n GLY 134 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uak n ASP 135 N 0.00 6.50 -3.61 1.61 8.00 -1.26 -4.82 116.55 122.97 1uak n ASP 135 Ca 0.00 -2.90 -0.11 0.00 0.71 0.00 0.00 54.79 52.49 1uak n ASP 135 Cb 0.00 -1.52 -0.04 0.00 -0.02 0.00 0.00 41.12 39.54 1uak n ASP 135 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1uak s TYR 136 N 1.25 -0.25 -0.17 1.24 -0.85 -1.26 -5.17 117.35 112.14 1uak s TYR 136 Ca 0.53 -0.02 -0.05 0.00 -0.52 0.00 0.00 57.07 57.02 1uak s TYR 136 Cb 0.15 0.29 -0.03 0.00 0.38 0.00 0.00 41.96 42.75 1uak s TYR 136 CO -0.06 -0.71 -0.01 0.08 -1.52 0.00 0.00 175.55 173.33 1uak s VAL 137 N -3.65 4.06 0.35 -3.49 1.01 -1.26 -4.88 120.40 112.53 1uak s VAL 137 Ca 0.02 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.78 1uak s VAL 137 Cb 0.01 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1uak s VAL 137 CO -0.11 0.47 0.20 -0.76 0.00 0.00 0.00 175.10 174.90 1uak s LEU 138 N 0.50 3.34 0.42 3.92 1.43 -1.26 -5.04 118.68 122.00 1uak s LEU 138 Ca -0.02 -0.72 0.27 0.00 -1.03 0.00 0.00 54.13 52.63 1uak s LEU 138 Cb -0.14 -1.86 0.87 0.00 0.03 0.00 0.00 46.19 45.09 1uak s LEU 138 CO 0.02 -0.35 1.78 0.71 0.23 0.00 0.00 176.35 178.75 1uak h THR 139 N 1.43 0.00 -3.06 5.49 1.35 -1.97 -3.47 112.91 112.69 1uak h THR 139 Ca -0.44 -0.64 0.02 0.00 -0.55 0.00 0.00 66.41 64.80 1uak h THR 139 Cb 1.25 1.61 -0.08 0.00 -1.73 0.00 0.00 68.15 69.20 1uak h THR 139 CO 0.62 0.00 0.19 -0.83 -0.25 0.00 0.00 175.52 175.25 1uak s GLY 140 N -4.02 -0.26 0.00 5.82 0.00 -1.26 -4.24 107.32 103.35 1uak s GLY 140 Ca 0.05 -0.03 0.30 0.00 0.00 0.00 0.00 44.72 45.04 1uak s GLY 140 CO 0.58 -0.04 1.96 0.61 0.00 0.00 0.00 173.10 176.21 1uak n GLY 141 N -0.41 -0.68 0.05 0.20 0.00 -0.41 -4.23 105.19 99.72 1uak n GLY 141 Ca -0.09 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 1uak n GLY 141 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1uak h GLU 142 N 0.91 -0.01 -0.52 1.61 3.07 -1.90 0.26 114.58 117.99 1uak h GLU 142 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1uak h GLU 142 Cb 0.27 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1uak h GLU 142 CO 0.00 0.20 0.26 -0.07 -1.40 0.00 0.00 179.01 178.00 1uak h LEU 143 N -0.22 0.67 -1.05 1.33 3.38 -2.00 0.72 115.31 118.14 1uak h LEU 143 Ca -0.00 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1uak h LEU 143 Cb 0.22 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 1uak h LEU 143 CO 0.00 0.60 0.62 -0.65 0.09 0.00 0.00 178.44 179.10 1uak h PRO 144 N 0.69 1.26 -0.42 1.13 0.11 -1.75 0.98 132.00 134.00 1uak h PRO 144 Ca 0.18 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 66.15 1uak h PRO 144 Cb 0.10 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 1uak h PRO 144 CO -0.02 0.84 0.03 0.00 -0.21 0.00 0.00 178.00 178.63 1uak h ALA 145 N 1.39 0.56 -0.31 -0.75 0.00 -0.41 -1.16 119.26 118.58 1uak h ALA 145 Ca 0.35 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1uak h ALA 145 Cb -0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1uak h ALA 145 CO -0.07 0.32 -0.12 0.52 0.00 0.00 0.00 179.25 179.90 1uak h MET 146 N 0.56 0.53 -0.55 0.00 2.86 -0.40 -0.34 114.93 117.59 1uak h MET 146 Ca 0.12 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 1uak h MET 146 Cb 0.44 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 1uak h MET 146 CO 0.02 0.64 0.19 1.15 1.06 0.00 0.00 176.91 179.97 1uak h THR 147 N 0.49 1.23 -0.26 2.22 2.02 -0.51 0.41 112.91 118.50 1uak h THR 147 Ca 0.09 -0.75 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 1uak h THR 147 Cb 0.50 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1uak h THR 147 CO 0.03 0.28 0.03 0.25 0.37 0.00 0.00 175.52 176.49 1uak h LEU 148 N 0.75 0.42 -0.26 2.58 6.46 -0.76 -1.61 115.31 122.90 1uak h LEU 148 Ca 0.18 -0.27 0.00 0.00 -0.12 0.00 0.00 57.88 57.67 1uak h LEU 148 Cb 0.24 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.05 1uak h LEU 148 CO -0.01 0.59 0.17 0.40 -0.62 0.00 0.00 178.44 178.97 1uak h ILE 149 N 0.24 1.08 -0.32 4.05 2.04 -0.85 -1.66 117.51 122.08 1uak h ILE 149 Ca 0.08 -0.15 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1uak h ILE 149 Cb 0.35 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1uak h ILE 149 CO 0.01 0.07 0.19 -0.78 0.00 0.00 0.00 178.15 177.64 1uak h ASP 150 N 0.34 0.30 -0.15 1.72 1.82 -0.86 0.29 116.42 119.89 1uak h ASP 150 Ca 0.09 0.00 0.01 0.00 -0.39 0.00 0.00 57.03 56.75 1uak h ASP 150 Cb -0.02 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 39.91 1uak h ASP 150 CO -0.02 0.22 0.06 0.00 -1.61 0.00 0.00 179.24 177.89 1uak h ALA 151 N 1.15 0.17 -0.36 -0.78 0.00 -1.07 -2.93 119.26 115.43 1uak h ALA 151 Ca 0.13 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 1uak h ALA 151 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1uak h ALA 151 CO -0.06 -0.38 -0.32 -0.39 0.00 0.00 0.00 179.25 178.10 1uak h VAL 152 N 0.14 1.28 -0.66 0.00 -1.51 -1.17 -3.07 116.25 111.25 1uak h VAL 152 Ca 0.06 -1.48 0.16 0.00 -1.23 0.00 0.00 66.70 64.21 1uak h VAL 152 Cb 0.02 1.35 -0.04 0.00 -2.13 0.00 0.00 31.29 30.49 1uak h VAL 152 CO -0.05 0.49 0.46 0.00 -1.23 0.00 0.00 177.57 177.23 1uak h ALA 153 N 0.97 2.33 0.00 5.19 0.00 -0.76 0.14 119.26 127.13 1uak h ALA 153 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1uak h ALA 153 Cb 0.86 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1uak h ALA 153 CO 0.08 -0.51 -0.04 0.00 0.00 0.00 0.00 179.25 178.78 1uak h ARG 154 N 0.21 0.00 -0.01 0.00 3.08 -1.42 -1.55 114.38 114.68 1uak h ARG 154 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1uak h ARG 154 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1uak h ARG 154 CO -0.06 0.04 -0.12 1.19 -1.07 0.00 0.00 179.97 179.94 1uak n PHE 155 N -3.43 0.00 -2.77 3.04 3.72 0.47 -4.65 117.46 113.85 1uak n PHE 155 Ca -0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.96 1uak n PHE 155 Cb 0.15 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.62 1uak n PHE 155 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1uak s ILE 156 N -2.20 4.79 0.09 4.37 1.01 -0.58 -4.97 121.20 123.70 1uak s ILE 156 Ca 0.31 1.84 -0.36 0.00 0.00 0.00 0.00 60.65 62.44 1uak s ILE 156 Cb 0.20 -4.23 -0.15 0.00 0.01 0.00 0.00 42.46 38.29 1uak s ILE 156 CO 0.41 -0.06 1.49 -2.65 0.00 0.00 0.00 174.94 174.13 1uak n PRO 157 N 5.66 1.61 0.00 2.79 -0.02 -1.26 -1.75 135.00 142.02 1uak n PRO 157 Ca 0.08 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1uak n PRO 157 Cb 0.48 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1uak n PRO 157 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1uak n GLY 158 N 3.08 3.19 0.13 -1.23 0.00 -1.26 -4.92 105.19 104.17 1uak n GLY 158 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 1uak n GLY 158 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1uak h VAL 159 N 0.00 1.11 -0.21 1.61 2.07 -1.62 -3.50 116.25 115.71 1uak h VAL 159 Ca 0.00 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1uak h VAL 159 Cb 0.00 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1uak h VAL 159 CO 0.00 0.11 0.00 0.18 0.02 0.00 0.00 177.57 177.88 1uak n LEU 160 N -4.86 0.00 -0.00 2.57 4.32 -1.26 -4.89 117.00 112.87 1uak n LEU 160 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.96 1uak n LEU 160 Cb 0.07 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.87 1uak n LEU 160 CO 0.35 0.00 0.00 -1.20 -1.22 0.00 0.00 177.39 175.32 1uak n SER 170 N 0.00 0.00 0.00 -1.43 7.64 -1.26 -5.12 113.62 113.45 1uak n SER 170 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1uak n SER 170 Cb 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1uak n SER 170 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1uak n PHE 171 N -0.00 0.00 -0.24 1.43 3.01 -0.17 -4.78 117.46 116.71 1uak n PHE 171 Ca 0.00 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.53 1uak n PHE 171 Cb 0.00 -1.67 0.32 0.00 -0.01 0.00 0.00 39.48 38.12 1uak n PHE 171 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uak h ALA 172 N 0.00 1.66 -0.24 4.37 0.00 -1.99 0.17 119.26 123.23 1uak h ALA 172 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1uak h ALA 172 Cb 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1uak h ALA 172 CO 0.00 0.20 0.00 -0.25 0.00 0.00 0.00 179.25 179.20 1uak n ASP 173 N -4.50 3.52 -0.53 0.00 8.00 -1.26 -4.92 116.55 116.86 1uak n ASP 173 Ca 0.13 -2.82 -0.07 0.00 0.71 0.00 0.00 54.79 52.74 1uak n ASP 173 Cb 0.26 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.87 1uak n ASP 173 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uak n GLY 174 N -0.42 0.81 3.40 0.44 0.00 0.05 -5.02 105.19 104.44 1uak n GLY 174 Ca 0.19 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1uak n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uak s LEU 175 N -1.55 2.51 0.65 0.99 1.43 -1.26 -4.81 118.68 116.64 1uak s LEU 175 Ca 0.00 -0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 52.00 1uak s LEU 175 Cb 0.00 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.26 1uak s LEU 175 CO 0.00 -0.01 1.08 -0.76 0.23 0.00 0.00 176.35 176.90 1uak s LEU 176 N -3.08 3.38 0.75 1.79 1.43 -1.26 -1.00 118.68 120.69 1uak s LEU 176 Ca 0.23 1.88 -0.11 0.00 -1.03 0.00 0.00 54.13 55.10 1uak s LEU 176 Cb -0.05 -4.54 0.04 0.00 0.03 0.00 0.00 46.19 41.68 1uak s LEU 176 CO 0.10 -1.47 1.09 -0.62 0.23 0.00 0.00 176.35 175.67 1uak s ASP 177 N -2.84 4.90 0.58 2.29 2.15 -1.26 -4.56 116.67 117.93 1uak s ASP 177 Ca 0.64 1.35 -0.05 0.00 0.43 0.00 0.00 52.55 54.92 1uak s ASP 177 Cb -0.18 -2.14 0.01 0.00 -0.30 0.00 0.00 42.92 40.31 1uak s ASP 177 CO 0.42 -1.72 0.88 0.00 -0.17 0.00 0.00 175.17 174.58 1uak s PRO 179 N -4.95 2.02 0.15 0.00 0.02 -1.26 -5.02 135.00 125.97 1uak s PRO 179 Ca 0.53 1.58 0.09 0.00 0.02 0.00 0.00 61.00 63.22 1uak s PRO 179 Cb -0.10 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.54 1uak s PRO 179 CO 0.44 -1.89 -0.20 -1.01 -0.33 0.00 0.00 177.00 174.02 1uak s HIS 180 N -2.29 1.86 -0.03 6.54 3.76 -1.26 -5.08 115.29 118.79 1uak s HIS 180 Ca 0.70 -0.44 -0.06 0.00 -0.15 0.00 0.00 55.06 55.11 1uak s HIS 180 Cb -0.25 -0.96 0.01 0.00 1.11 0.00 0.00 32.58 32.49 1uak s HIS 180 CO 0.49 0.31 0.14 0.71 -0.85 0.00 0.00 174.74 175.53 1uak s TYR 181 N -1.72 -0.05 0.25 1.40 2.02 -1.26 -5.16 117.35 112.82 1uak s TYR 181 Ca 0.13 0.11 0.02 0.00 -0.37 0.00 0.00 57.07 56.97 1uak s TYR 181 Cb -0.07 -0.00 -0.01 0.00 -0.40 0.00 0.00 41.96 41.48 1uak s TYR 181 CO 0.06 -0.19 0.27 -2.37 -1.57 0.00 0.00 175.55 171.76 1uak n THR 182 N 2.19 0.00 -1.61 -0.71 5.66 -1.26 -5.14 114.28 113.41 1uak n THR 182 Ca -0.18 -1.53 -0.39 0.00 -3.05 0.00 0.00 64.05 58.91 1uak n THR 182 Cb 0.57 0.83 0.04 0.00 -1.55 0.00 0.00 70.33 70.23 1uak n THR 182 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1uak n ARG 183 N -0.44 1.04 -2.37 1.09 1.74 -1.26 -4.63 116.66 111.82 1uak n ARG 183 Ca 0.03 0.39 -0.25 0.00 -0.77 0.00 0.00 57.85 57.26 1uak n ARG 183 Cb 0.43 -2.13 0.05 0.00 -1.02 0.00 0.00 32.46 29.79 1uak n ARG 183 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1uak s PRO 184 N -2.52 2.43 0.37 5.56 0.04 -1.26 -5.07 135.00 134.55 1uak s PRO 184 Ca 0.72 -0.36 0.06 0.00 0.04 0.00 0.00 61.00 61.46 1uak s PRO 184 Cb -0.45 -2.28 0.76 0.00 0.04 0.00 0.00 34.50 32.57 1uak s PRO 184 CO 0.50 -0.98 1.99 0.93 0.04 0.00 0.00 177.00 179.48 1uak h GLU 185 N -0.32 0.70 -4.61 4.56 5.08 -1.94 -3.40 114.58 114.64 1uak h GLU 185 Ca -0.44 -0.04 -0.56 0.00 -1.00 0.00 0.00 59.36 57.32 1uak h GLU 185 Cb 1.30 -0.16 -0.35 0.00 0.50 0.00 0.00 28.75 30.05 1uak h GLU 185 CO 0.58 0.46 -0.83 0.08 -1.00 0.00 0.00 179.01 178.31 1uak s VAL 186 N -5.63 1.34 -0.21 3.13 1.01 -1.26 -2.08 120.40 116.69 1uak s VAL 186 Ca -0.09 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1uak s VAL 186 Cb 0.19 -1.24 0.05 0.00 0.00 0.00 0.00 36.38 35.38 1uak s VAL 186 CO 0.76 0.41 -0.06 -0.22 0.00 0.00 0.00 175.10 175.99 1uak s LEU 187 N 1.03 2.24 -1.36 3.92 2.96 0.13 -4.77 118.68 122.83 1uak s LEU 187 Ca -0.06 -1.00 -0.03 0.00 -0.22 0.00 0.00 54.13 52.82 1uak s LEU 187 Cb -0.15 -1.10 0.02 0.00 0.50 0.00 0.00 46.19 45.46 1uak s LEU 187 CO -0.02 -0.21 0.71 -0.62 -1.32 0.00 0.00 176.35 174.90 1uak n GLU 188 N 4.74 -4.82 -0.21 1.98 1.02 -1.26 -1.02 120.64 121.07 1uak n GLU 188 Ca -0.12 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1uak n GLU 188 Cb 0.45 -5.15 0.00 0.00 -0.02 0.00 0.00 31.44 26.72 1uak n GLU 188 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uak n GLY 189 N -1.64 2.19 3.68 0.62 0.00 -1.26 -4.99 105.19 103.79 1uak n GLY 189 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 1uak n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uak s LEU 190 N 0.00 4.18 0.30 0.99 1.43 -0.18 -5.08 118.68 120.33 1uak s LEU 190 Ca 0.00 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 53.70 1uak s LEU 190 Cb 0.00 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1uak s LEU 190 CO 0.00 -0.05 0.46 0.42 0.23 0.00 0.00 176.35 177.41 1uak s THR 191 N 1.14 5.03 0.31 5.49 -4.23 -1.26 0.20 115.64 122.31 1uak s THR 191 Ca 0.20 -0.75 -0.27 0.00 -1.18 0.00 0.00 61.69 59.69 1uak s THR 191 Cb -0.15 -3.80 -0.10 0.00 1.34 0.00 0.00 72.50 69.80 1uak s THR 191 CO 0.08 -0.41 0.97 -0.69 -0.54 0.00 0.00 174.62 174.03 1uak s VAL 192 N -2.17 4.04 -0.04 2.29 1.01 -0.89 -4.94 120.40 119.71 1uak s VAL 192 Ca 0.38 1.80 -0.34 0.00 0.00 0.00 0.00 61.98 63.82 1uak s VAL 192 Cb -0.09 -4.05 -0.12 0.00 0.00 0.00 0.00 36.38 32.11 1uak s VAL 192 CO 0.33 0.24 1.80 -2.65 0.00 0.00 0.00 175.10 174.82 1uak n PRO 193 N 0.79 2.13 -0.33 2.72 -0.02 -1.26 -4.83 135.00 134.19 1uak n PRO 193 Ca 0.01 0.78 0.17 0.00 -2.02 0.00 0.00 63.50 62.44 1uak n PRO 193 Cb 0.49 -2.60 0.34 0.00 -0.02 0.00 0.00 33.50 31.71 1uak n PRO 193 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1uak h PRO 194 N 8.34 0.03 -0.67 0.52 0.11 -1.99 -0.55 132.00 137.78 1uak h PRO 194 Ca -0.48 -0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.76 1uak h PRO 194 Cb 1.27 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 1uak h PRO 194 CO 0.93 0.02 0.45 -0.24 -0.21 0.00 0.00 178.00 178.95 1uak h VAL 195 N 0.03 0.83 0.00 3.15 3.04 -2.01 -0.55 116.25 120.74 1uak h VAL 195 Ca 0.64 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 66.20 1uak h VAL 195 Cb 1.39 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 31.09 1uak h VAL 195 CO -0.87 0.07 0.00 -0.07 -1.01 0.00 0.00 177.57 175.69 1uak h LEU 196 N 0.38 0.00 -2.91 3.16 3.38 -1.45 -2.61 115.31 115.26 1uak h LEU 196 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1uak h LEU 196 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1uak h LEU 196 CO -0.09 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.67 1uak n MET 197 N -2.58 2.89 0.11 1.13 2.81 -0.23 -4.53 117.12 116.71 1uak n MET 197 Ca 0.02 -2.19 0.02 0.00 -1.81 0.00 0.00 57.70 53.74 1uak n MET 197 Cb 0.26 -1.35 -0.01 0.00 -0.71 0.00 0.00 33.22 31.41 1uak n MET 197 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1uak h SER 198 N 2.24 0.00 0.00 7.83 4.64 -1.23 -3.48 113.55 123.55 1uak h SER 198 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uak h SER 198 Cb 0.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.92 1uak h SER 198 CO 0.02 0.52 0.00 0.61 -0.87 0.00 0.00 176.83 177.11 1uak n GLY 199 N 1.27 0.79 3.52 -0.77 0.00 -1.26 -4.98 105.19 103.77 1uak n GLY 199 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1uak n GLY 199 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1uak s HIS 200 N -3.01 2.68 0.21 1.61 3.76 -1.26 -4.89 115.29 114.38 1uak s HIS 200 Ca 0.00 -0.90 -0.13 0.00 -0.15 0.00 0.00 55.06 53.88 1uak s HIS 200 Cb 0.00 -4.56 0.23 0.00 1.11 0.00 0.00 32.58 29.37 1uak s HIS 200 CO 0.00 -1.81 1.64 1.25 -0.85 0.00 0.00 174.74 174.97 1uak h HIS 201 N 9.54 -0.26 -0.48 1.40 2.76 -1.95 0.11 115.15 126.28 1uak h HIS 201 Ca 0.12 0.05 -0.05 0.00 -2.20 0.00 0.00 60.37 58.29 1uak h HIS 201 Cb 1.02 0.21 -0.02 0.00 1.55 0.00 0.00 27.41 30.17 1uak h HIS 201 CO 1.22 -0.24 0.12 1.49 -1.30 0.00 0.00 177.93 179.22 1uak h GLU 202 N 0.02 0.77 -0.42 5.26 4.57 -1.99 -0.60 114.58 122.20 1uak h GLU 202 Ca 0.29 -0.18 -0.10 0.00 -1.18 0.00 0.00 59.36 58.20 1uak h GLU 202 Cb 0.46 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1uak h GLU 202 CO -0.60 0.75 -0.13 0.93 -1.18 0.00 0.00 179.01 178.78 1uak h GLU 203 N 0.65 0.76 -0.57 1.92 4.39 -1.81 -1.97 114.58 117.95 1uak h GLU 203 Ca 0.15 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 1uak h GLU 203 Cb 0.32 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1uak h GLU 203 CO 0.00 0.85 0.18 0.82 -1.16 0.00 0.00 179.01 179.70 1uak h ILE 204 N 0.68 1.24 -0.35 3.13 2.04 -0.56 -0.36 117.51 123.33 1uak h ILE 204 Ca 0.11 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.17 1uak h ILE 204 Cb 0.61 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1uak h ILE 204 CO 0.04 0.31 0.22 -0.09 0.00 0.00 0.00 178.15 178.62 1uak h ARG 205 N 0.80 0.43 -0.60 2.37 2.43 -0.81 -1.81 114.38 117.19 1uak h ARG 205 Ca 0.18 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1uak h ARG 205 Cb 0.29 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1uak h ARG 205 CO -0.01 0.28 0.08 0.87 -1.51 0.00 0.00 179.97 179.69 1uak h LYS 206 N 0.44 0.98 -0.52 0.20 1.57 -1.11 -2.12 116.57 116.01 1uak h LYS 206 Ca 0.13 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1uak h LYS 206 Cb -0.02 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 1uak h LYS 206 CO -0.05 0.91 0.32 2.35 -0.57 0.00 0.00 179.45 182.41 1uak h TRP 207 N 0.92 0.68 -0.48 -1.35 7.01 -0.69 -0.36 115.95 121.68 1uak h TRP 207 Ca 0.18 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 61.12 1uak h TRP 207 Cb 0.42 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 1uak h TRP 207 CO 0.03 0.46 0.06 0.00 -2.79 0.00 0.00 178.44 176.20 1uak h ARG 208 N 0.70 0.81 -0.42 2.65 3.08 -1.15 -0.21 114.38 119.84 1uak h ARG 208 Ca 0.19 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1uak h ARG 208 Cb -0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1uak h ARG 208 CO -0.04 0.83 0.07 1.25 -1.07 0.00 0.00 179.97 181.01 1uak h LEU 209 N 0.68 0.66 -0.61 3.04 5.85 -1.20 -1.34 115.31 122.40 1uak h LEU 209 Ca 0.14 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 1uak h LEU 209 Cb 0.42 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1uak h LEU 209 CO 0.01 0.75 0.28 0.50 -0.34 0.00 0.00 178.44 179.64 1uak h LYS 210 N 0.54 0.88 -0.48 1.25 3.64 -0.95 -1.14 116.57 120.32 1uak h LYS 210 Ca 0.13 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1uak h LYS 210 Cb 0.37 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1uak h LYS 210 CO 0.01 0.73 0.24 1.96 -2.27 0.00 0.00 179.45 180.11 1uak h GLN 211 N 0.83 0.69 -0.38 1.90 1.08 -0.88 0.95 115.11 119.29 1uak h GLN 211 Ca 0.21 -0.10 0.02 0.00 -1.45 0.00 0.00 58.65 57.33 1uak h GLN 211 Cb 0.15 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 1uak h GLN 211 CO -0.02 0.58 0.21 1.03 -0.95 0.00 0.00 178.83 179.68 1uak h SER 212 N 0.64 0.34 -0.42 1.46 0.87 -0.95 0.23 113.55 115.70 1uak h SER 212 Ca 0.17 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1uak h SER 212 Cb 0.11 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1uak h SER 212 CO -0.02 0.24 0.18 -0.07 -0.53 0.00 0.00 176.83 176.63 1uak h LEU 213 N 0.44 0.58 0.04 2.23 3.38 -0.87 -0.48 115.31 120.63 1uak h LEU 213 Ca 0.16 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uak h LEU 213 Cb 0.03 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1uak h LEU 213 CO -0.08 0.58 -0.02 -0.61 0.09 0.00 0.00 178.44 178.39 1uak h GLN 214 N 0.54 -0.06 -0.85 1.13 4.15 -0.41 0.20 115.11 119.81 1uak h GLN 214 Ca 0.14 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 1uak h GLN 214 Cb 0.17 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 1uak h GLN 214 CO -0.01 -0.00 0.43 0.00 -1.93 0.00 0.00 178.83 177.31 1uak h ARG 215 N -0.10 1.21 -0.42 1.69 3.08 -0.45 -0.30 114.38 119.08 1uak h ARG 215 Ca -0.01 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 1uak h ARG 215 Cb 0.08 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 1uak h ARG 215 CO 0.01 0.91 0.07 1.15 -1.07 0.00 0.00 179.97 181.04 1uak h THR 216 N 1.20 1.24 -0.32 2.04 2.02 -0.89 0.06 112.91 118.26 1uak h THR 216 Ca 0.29 -0.87 0.01 0.00 0.77 0.00 0.00 66.41 66.61 1uak h THR 216 Cb 0.08 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1uak h THR 216 CO -0.04 0.30 0.21 -0.25 0.37 0.00 0.00 175.52 176.11 1uak h TRP 217 N 0.55 0.39 -0.14 3.16 7.01 -0.56 0.11 115.95 126.47 1uak h TRP 217 Ca 0.13 0.01 -0.22 0.00 2.11 0.00 0.00 58.89 60.92 1uak h TRP 217 Cb 0.37 -0.13 0.01 0.00 -2.10 0.00 0.00 29.16 27.31 1uak h TRP 217 CO 0.03 0.24 -0.78 -0.07 -2.79 0.00 0.00 178.44 175.06 1uak h LEU 218 N 0.42 0.90 0.06 0.65 3.38 -0.96 -3.25 115.31 116.51 1uak h LEU 218 Ca 0.12 -0.60 -0.38 0.00 0.09 0.00 0.00 57.88 57.12 1uak h LEU 218 Cb -0.04 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 1uak h LEU 218 CO -0.03 1.39 -2.23 0.54 0.09 0.00 0.00 178.44 178.20 1uak n ARG 219 N -3.92 0.70 -3.16 1.13 1.74 -0.00 -4.72 116.66 108.43 1uak n ARG 219 Ca -0.07 0.20 -0.23 0.00 -0.77 0.00 0.00 57.85 56.98 1uak n ARG 219 Cb 0.75 -1.62 -0.05 0.00 -1.02 0.00 0.00 32.46 30.52 1uak n ARG 219 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1uak n ARG 220 N -3.35 1.72 -0.03 5.56 5.12 0.36 -4.95 116.66 121.09 1uak n ARG 220 Ca -0.38 -3.91 0.23 0.00 -1.93 0.00 0.00 57.85 51.86 1uak n ARG 220 Cb 1.02 -1.82 0.72 0.00 -1.16 0.00 0.00 32.46 31.23 1uak n ARG 220 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1uak h PRO 221 N 3.37 0.00 -0.38 5.56 0.13 -1.50 -0.99 132.00 138.20 1uak h PRO 221 Ca 0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.19 1uak h PRO 221 Cb 0.79 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 1uak h PRO 221 CO 0.62 0.00 0.01 0.93 -0.23 0.00 0.00 178.00 179.33 1uak h GLU 222 N 0.00 0.59 -0.03 0.86 3.07 -1.91 -2.52 114.58 114.64 1uak h GLU 222 Ca 0.29 -0.13 0.01 0.00 -0.50 0.00 0.00 59.36 59.03 1uak h GLU 222 Cb 1.29 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1uak h GLU 222 CO -0.00 0.61 0.02 -0.07 -1.40 0.00 0.00 179.01 178.17 1uak h LEU 223 N 0.57 0.00 -0.23 1.33 3.38 -1.51 -2.44 115.31 116.41 1uak h LEU 223 Ca 0.12 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.88 1uak h LEU 223 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1uak h LEU 223 CO 0.01 0.00 -0.85 -0.07 0.09 0.00 0.00 178.44 177.62 1uak h LEU 224 N 0.00 0.61 -0.61 1.67 3.38 -1.57 -3.32 115.31 115.48 1uak h LEU 224 Ca 0.01 -0.45 0.11 0.00 0.09 0.00 0.00 57.88 57.65 1uak h LEU 224 Cb 0.06 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 1uak h LEU 224 CO -0.00 1.23 0.16 -0.33 0.09 0.00 0.00 178.44 179.59 1uak h GLU 225 N 0.31 0.30 -1.06 1.13 5.08 -1.47 -0.14 114.58 118.73 1uak h GLU 225 Ca -0.06 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 1uak h GLU 225 Cb 1.47 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.57 1uak h GLU 225 CO 0.15 0.20 0.19 0.41 -1.00 0.00 0.00 179.01 178.96 1uak n GLY 226 N -1.31 2.77 3.10 -3.84 0.00 -1.24 -4.82 105.19 99.85 1uak n GLY 226 Ca 0.09 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.53 1uak n GLY 226 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uak s LEU 227 N -0.95 1.90 -0.53 0.99 2.96 -0.07 -5.09 118.68 117.89 1uak s LEU 227 Ca 0.16 -0.31 -0.14 0.00 -0.22 0.00 0.00 54.13 53.63 1uak s LEU 227 Cb 0.14 -0.86 0.13 0.00 0.50 0.00 0.00 46.19 46.10 1uak s LEU 227 CO 0.03 0.14 0.47 0.00 -1.32 0.00 0.00 176.35 175.67 1uak s ALA 228 N 0.02 3.60 0.43 5.97 0.00 -1.26 -5.02 121.76 125.50 1uak s ALA 228 Ca -0.02 -2.57 -0.23 0.00 0.00 0.00 0.00 51.96 49.13 1uak s ALA 228 Cb -0.10 -3.16 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1uak s ALA 228 CO 0.01 -2.00 1.11 -0.51 0.00 0.00 0.00 175.76 174.37 1uak s LEU 229 N 1.47 4.08 0.78 0.00 1.43 -1.26 -5.05 118.68 120.14 1uak s LEU 229 Ca 0.04 2.18 -0.12 0.00 -1.03 0.00 0.00 54.13 55.21 1uak s LEU 229 Cb -0.28 -4.21 0.06 0.00 0.03 0.00 0.00 46.19 41.79 1uak s LEU 229 CO 0.02 -0.71 1.12 0.42 0.23 0.00 0.00 176.35 177.43 1uak s THR 230 N -1.59 2.83 0.23 5.49 -4.23 -1.26 -4.79 115.64 112.32 1uak s THR 230 Ca 0.61 0.27 -0.07 0.00 -1.18 0.00 0.00 61.69 61.32 1uak s THR 230 Cb -0.26 -3.16 0.20 0.00 1.34 0.00 0.00 72.50 70.62 1uak s THR 230 CO 0.32 -0.35 1.85 0.44 -0.54 0.00 0.00 174.62 176.34 1uak h ASP 231 N -0.99 0.81 -0.40 3.99 3.45 -1.99 -0.13 116.42 121.16 1uak h ASP 231 Ca -0.47 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 56.99 1uak h ASP 231 Cb 1.29 -0.16 -0.02 0.00 -0.56 0.00 0.00 39.33 39.88 1uak h ASP 231 CO 0.63 0.53 0.20 -0.08 -1.57 0.00 0.00 179.24 178.95 1uak h GLU 232 N 0.95 0.57 -0.46 3.56 4.81 -1.99 -0.92 114.58 121.10 1uak h GLU 232 Ca 0.35 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1uak h GLU 232 Cb 0.12 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1uak h GLU 232 CO -0.15 0.49 0.28 1.96 -0.73 0.00 0.00 179.01 180.86 1uak h GLN 233 N 0.51 0.62 -0.73 1.92 4.20 -1.77 0.05 115.11 119.91 1uak h GLN 233 Ca 0.14 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.82 1uak h GLN 233 Cb 0.10 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 1uak h GLN 233 CO -0.02 0.44 0.46 0.00 -0.67 0.00 0.00 178.83 179.05 1uak h ARG 234 N 0.61 0.88 0.09 1.46 3.08 -0.80 -0.19 114.38 119.51 1uak h ARG 234 Ca 0.16 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1uak h ARG 234 Cb -0.02 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.83 1uak h ARG 234 CO -0.03 0.58 -0.04 -0.22 -1.07 0.00 0.00 179.97 179.19 1uak h LYS 235 N 0.91 -0.11 -0.70 0.04 3.64 -0.60 -1.39 116.57 118.36 1uak h LYS 235 Ca 0.29 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1uak h LYS 235 Cb -0.00 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1uak h LYS 235 CO -0.10 0.02 0.31 -0.07 -2.27 0.00 0.00 179.45 177.34 1uak h LEU 236 N -0.22 0.92 -0.25 5.20 3.38 -0.77 -1.23 115.31 122.34 1uak h LEU 236 Ca -0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1uak h LEU 236 Cb 0.19 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1uak h LEU 236 CO 0.02 0.80 0.05 0.25 0.09 0.00 0.00 178.44 179.65 1uak h LEU 237 N 1.00 0.38 -1.17 1.67 5.85 -0.92 -1.21 115.31 120.91 1uak h LEU 237 Ca 0.24 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1uak h LEU 237 Cb 0.14 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 1uak h LEU 237 CO -0.03 0.52 0.56 0.11 -0.34 0.00 0.00 178.44 179.27 1uak h LYS 238 N 0.22 1.09 -0.43 1.25 1.57 -0.94 -0.18 116.57 119.14 1uak h LYS 238 Ca 0.08 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1uak h LYS 238 Cb 0.29 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1uak h LYS 238 CO 0.00 0.72 0.14 0.93 -0.57 0.00 0.00 179.45 180.67 1uak h GLU 239 N 1.12 0.66 -0.43 3.15 5.08 -0.89 -0.02 114.58 123.25 1uak h GLU 239 Ca 0.32 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1uak h GLU 239 Cb -0.08 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 1uak h GLU 239 CO -0.08 0.64 0.22 0.00 -1.00 0.00 0.00 179.01 178.80 1uak h ALA 240 N 0.99 0.55 -0.51 3.43 0.00 -0.52 0.54 119.26 123.73 1uak h ALA 240 Ca 0.14 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1uak h ALA 240 Cb 0.25 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1uak h ALA 240 CO -0.01 0.09 0.02 1.96 0.00 0.00 0.00 179.25 181.31 1uak h GLN 241 N 0.56 0.85 -0.52 0.00 4.20 -0.91 0.20 115.11 119.50 1uak h GLN 241 Ca 0.15 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 1uak h GLN 241 Cb 0.08 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 1uak h GLN 241 CO -0.02 0.84 0.03 0.00 -0.67 0.00 0.00 178.83 179.00 1uak h ALA 242 N 1.22 0.70 -0.32 3.87 0.00 -0.58 0.83 119.26 124.97 1uak h ALA 242 Ca 0.15 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1uak h ALA 242 Cb 0.45 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1uak h ALA 242 CO 0.02 0.49 -0.20 0.93 0.00 0.00 0.00 179.25 180.49 1uak h GLU 243 N 0.77 0.60 -0.45 0.00 5.08 -0.51 -2.34 114.58 117.74 1uak h GLU 243 Ca 0.15 -0.22 -0.11 0.00 -1.00 0.00 0.00 59.36 58.18 1uak h GLU 243 Cb 0.49 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1uak h GLU 243 CO 0.02 0.76 -0.18 1.25 -1.00 0.00 0.00 179.01 179.86 1uak h HIS 244 N 0.54 0.98 0.00 4.33 2.76 -0.19 -2.76 115.15 120.80 1uak h HIS 244 Ca 0.08 -0.21 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 1uak h HIS 244 Cb 0.64 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 29.36 1uak h HIS 244 CO 0.03 0.97 0.00 0.09 -1.30 0.00 0.00 177.93 177.72 1uak n ASN 245 N -4.12 0.00 -1.24 3.26 3.02 0.25 -2.62 115.26 113.81 1uak n ASN 245 Ca 0.01 0.43 0.12 0.00 -0.03 0.00 0.00 54.58 55.10 1uak n ASN 245 Cb 0.42 -0.47 0.27 0.00 -0.61 0.00 0.00 39.78 39.39 1uak n ASN 245 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1uak n SER 246 N -1.47 3.63 -4.47 6.41 3.41 -0.91 -4.96 113.62 115.26 1uak n SER 246 Ca 0.06 -1.99 -0.24 0.00 -0.26 0.00 0.00 58.87 56.44 1uak n SER 246 Cb 0.25 -0.36 -0.10 0.00 -0.26 0.00 0.00 64.21 63.73 1uak n SER 246 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1uak s LEU 247 N -1.25 2.61 0.62 1.04 1.43 -1.08 -5.09 118.68 116.97 1uak s LEU 247 Ca 0.44 -1.06 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 1uak s LEU 247 Cb 0.24 -1.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.37 1uak s LEU 247 CO 0.32 -0.01 1.03 -1.61 0.23 0.00 0.00 176.35 176.31 1uak s GLU 248 N -3.54 3.49 0.03 1.70 2.02 -1.26 -5.03 118.70 116.12 1uak s GLU 248 Ca 0.30 0.85 -0.02 0.00 0.02 0.00 0.00 54.97 56.13 1uak s GLU 248 Cb -0.03 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 1uak s GLU 248 CO 0.15 -0.65 0.00 -1.01 0.02 0.00 0.00 175.26 173.77 1uak s HIS 249 N -3.02 0.29 -2.45 1.61 3.76 -1.26 -5.11 115.29 109.11 1uak s HIS 249 Ca 0.57 -0.62 0.28 0.00 -0.15 0.00 0.00 55.06 55.14 1uak s HIS 249 Cb -0.12 -0.22 1.13 0.00 1.11 0.00 0.00 32.58 34.48 1uak s HIS 249 CO 0.50 -0.27 1.79 0.72 -0.85 0.00 0.00 174.74 176.63