#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uua n LYS 8 N 0.00 0.00 -0.06 7.34 5.02 -1.26 -5.16 118.16 124.04 2uua n LYS 8 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2uua n LYS 8 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2uua n LYS 8 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2uua n GLU 9 N 0.00 0.00 0.01 1.97 -0.58 -1.26 -5.10 120.64 115.68 2uua n GLU 9 Ca 0.00 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2uua n GLU 9 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2uua n GLU 9 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2uua n LEU 10 N -0.19 0.11 -4.56 -4.62 0.00 -1.26 -4.89 117.00 101.59 2uua n LEU 10 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 56.01 55.74 2uua n LEU 10 Cb 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 43.42 43.35 2uua n LEU 10 CO 0.00 -0.53 1.40 -0.76 0.00 0.00 0.00 177.39 177.50 2uua s LEU 11 N -5.23 3.22 -0.52 -1.96 1.43 -1.26 -4.75 118.68 109.61 2uua s LEU 11 Ca 0.00 -0.97 0.02 0.00 -1.03 0.00 0.00 54.13 52.15 2uua s LEU 11 Cb 0.00 -2.57 0.45 0.00 0.03 0.00 0.00 46.19 44.10 2uua s LEU 11 CO 0.00 -2.55 1.67 -0.62 0.23 0.00 0.00 176.35 175.09 2uua n GLU 12 N 8.78 3.08 0.00 1.70 -0.58 -1.26 -4.67 120.64 127.70 2uua n GLU 12 Ca 0.40 -3.69 0.00 0.00 -0.42 0.00 0.00 57.16 53.45 2uua n GLU 12 Cb 0.47 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.06 2uua n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2uua n ALA 13 N -0.81 1.91 1.04 0.62 0.00 -1.26 -2.43 120.51 119.58 2uua n ALA 13 Ca 0.54 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.12 2uua n ALA 13 Cb 0.76 -1.00 0.62 0.00 0.00 0.00 0.00 19.45 19.84 2uua n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2uua n GLY 14 N 0.34 -1.43 0.00 0.00 0.00 -1.26 -4.90 105.19 97.94 2uua n GLY 14 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2uua n GLY 14 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2uua n VAL 15 N -1.46 0.00 0.00 1.61 0.24 -1.02 -4.74 118.33 112.96 2uua n VAL 15 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 2uua n VAL 15 Cb 0.31 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.68 2uua n VAL 15 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2uua n HIS 16 N 0.00 0.00 -0.10 6.34 8.25 -1.25 -3.32 115.22 125.13 2uua n HIS 16 Ca 0.00 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 2uua n HIS 16 Cb 0.00 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.27 2uua n HIS 16 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 2uua n PHE 17 N 0.00 0.20 -3.67 4.41 1.16 -1.26 -4.12 117.46 114.18 2uua n PHE 17 Ca 0.00 0.20 -0.36 0.00 -1.87 0.00 0.00 57.45 55.42 2uua n PHE 17 Cb 0.00 -0.58 -0.07 0.00 -1.61 0.00 0.00 39.48 37.22 2uua n PHE 17 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 2uua s GLY 18 N -3.32 2.17 0.00 4.97 0.00 -1.21 -1.12 107.32 108.81 2uua s GLY 18 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 44.72 44.16 2uua s GLY 18 CO 0.19 0.13 0.00 1.57 0.00 0.00 0.00 173.10 174.99 2uua n HIS 19 N 3.02 0.00 -0.91 1.90 -0.00 -1.24 -4.88 115.22 113.11 2uua n HIS 19 Ca -0.15 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.03 2uua n HIS 19 Cb 0.53 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.40 2uua n HIS 19 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2uua n GLU 20 N -0.98 -2.59 0.00 1.57 -0.58 -1.26 -4.37 120.64 112.44 2uua n GLU 20 Ca 0.00 1.90 0.00 0.00 -0.42 0.00 0.00 57.16 58.64 2uua n GLU 20 Cb 0.00 -2.12 0.00 0.00 -0.57 0.00 0.00 31.44 28.75 2uua n GLU 20 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2uua n ARG 21 N -0.51 0.00 -2.44 3.49 1.85 -1.26 -2.08 116.66 115.71 2uua n ARG 21 Ca 0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.45 2uua n ARG 21 Cb 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.42 2uua n ARG 21 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2uua n LYS 22 N 0.00 5.05 -2.30 2.89 4.76 -1.26 -4.24 118.16 123.07 2uua n LYS 22 Ca 0.00 -4.30 -0.00 0.00 -2.87 0.00 0.00 58.31 51.14 2uua n LYS 22 Cb 0.00 -2.49 0.05 0.00 -1.84 0.00 0.00 35.03 30.75 2uua n LYS 22 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2uua n ARG 23 N 0.31 1.07 0.00 1.97 -4.01 -1.26 -5.11 116.66 109.63 2uua n ARG 23 Ca 0.51 -2.41 0.00 0.00 -1.04 0.00 0.00 57.85 54.91 2uua n ARG 23 Cb 0.26 -0.59 0.00 0.00 -3.04 0.00 0.00 32.46 29.09 2uua n ARG 23 CO 0.00 0.00 0.00 -2.67 -3.04 0.00 0.00 177.63 171.92 2uua n TRP 24 N -0.48 -1.35 -3.69 2.89 4.27 -1.26 -4.68 117.44 113.14 2uua n TRP 24 Ca -0.02 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.32 2uua n TRP 24 Cb 0.89 0.00 -0.17 0.00 -1.36 0.00 0.00 31.31 30.67 2uua n TRP 24 CO 0.00 0.00 0.00 1.21 -2.29 0.00 0.00 177.69 176.61 2uua s ASN 25 N -1.51 2.76 0.60 -0.67 3.04 -0.82 -4.85 114.94 113.48 2uua s ASN 25 Ca 0.00 -0.78 0.31 0.00 0.04 0.00 0.00 52.86 52.42 2uua s ASN 25 Cb 0.00 -0.47 1.17 0.00 -1.54 0.00 0.00 41.25 40.41 2uua s ASN 25 CO 0.00 -0.33 1.49 -0.65 -3.04 0.00 0.00 177.10 174.57 2uua h PRO 26 N 8.31 0.00 -0.04 0.43 0.11 -1.92 0.17 132.00 139.06 2uua h PRO 26 Ca -0.16 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.95 2uua h PRO 26 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2uua h PRO 26 CO 0.33 0.00 0.02 0.87 -0.21 0.00 0.00 178.00 179.01 2uua h LYS 27 N 0.00 0.05 0.00 1.05 1.57 -1.95 -2.00 116.57 115.29 2uua h LYS 27 Ca 0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 2uua h LYS 27 Cb 2.61 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.91 2uua h LYS 27 CO -0.01 0.12 0.00 0.34 -0.57 0.00 0.00 179.45 179.33 2uua n PHE 28 N -5.02 0.00 0.28 -1.35 7.35 0.61 -3.54 117.46 115.78 2uua n PHE 28 Ca -0.07 0.00 0.13 0.00 -0.76 0.00 0.00 57.45 56.75 2uua n PHE 28 Cb 0.07 0.00 0.79 0.00 0.35 0.00 0.00 39.48 40.68 2uua n PHE 28 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2uua h ALA 29 N 1.91 1.52 -0.27 3.13 0.00 -1.44 -2.64 119.26 121.47 2uua h ALA 29 Ca 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 2uua h ALA 29 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2uua h ALA 29 CO 0.00 0.07 -0.26 0.07 0.00 0.00 0.00 179.25 179.13 2uua h ARG 30 N 0.00 0.52 -0.45 0.00 0.11 -1.82 -2.57 114.38 110.17 2uua h ARG 30 Ca -0.00 -0.20 0.00 0.00 0.10 0.00 0.00 59.98 59.88 2uua h ARG 30 Cb 0.13 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.19 2uua h ARG 30 CO 0.01 0.74 0.00 0.66 0.10 0.00 0.00 179.97 181.47 2uua n TYR 31 N -4.11 0.34 -4.38 4.08 0.53 -1.00 -4.85 117.16 107.78 2uua n TYR 31 Ca -0.00 -0.14 -0.35 0.00 -1.02 0.00 0.00 57.90 56.39 2uua n TYR 31 Cb 0.42 -0.08 -0.10 0.00 -1.03 0.00 0.00 39.34 38.55 2uua n TYR 31 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 2uua s ILE 32 N -1.63 4.24 -0.21 -0.72 1.01 -0.97 -1.74 121.20 121.18 2uua s ILE 32 Ca 0.13 -0.27 -0.18 0.00 0.00 0.00 0.00 60.65 60.33 2uua s ILE 32 Cb 0.08 -2.79 -0.15 0.00 0.01 0.00 0.00 42.46 39.61 2uua s ILE 32 CO 0.07 0.58 0.04 0.00 0.00 0.00 0.00 174.94 175.63 2uua n TYR 33 N 2.39 0.82 -3.88 3.97 9.36 0.15 -4.60 117.16 125.37 2uua n TYR 33 Ca -0.18 0.35 -0.02 0.00 3.32 0.00 0.00 57.90 61.37 2uua n TYR 33 Cb 0.53 -1.01 0.02 0.00 -0.63 0.00 0.00 39.34 38.26 2uua n TYR 33 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2uua n ALA 34 N -3.62 -2.61 -3.96 2.98 0.00 -1.17 -5.00 120.51 107.13 2uua n ALA 34 Ca -0.30 -0.92 -0.32 0.00 0.00 0.00 0.00 53.44 51.89 2uua n ALA 34 Cb 0.63 0.48 -0.14 0.00 0.00 0.00 0.00 19.45 20.42 2uua n ALA 34 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2uua s GLU 35 N -2.04 1.69 -0.09 0.00 2.12 -1.25 -0.42 118.70 118.71 2uua s GLU 35 Ca 0.22 -1.79 -0.04 0.00 0.36 0.00 0.00 54.97 53.72 2uua s GLU 35 Cb -0.02 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.08 2uua s GLU 35 CO 0.04 -0.92 0.08 1.03 -0.54 0.00 0.00 175.26 174.95 2uua s ARG 36 N 0.98 3.20 -1.41 4.30 0.52 -0.22 -4.40 118.95 121.92 2uua s ARG 36 Ca 0.08 -0.30 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 2uua s ARG 36 Cb -0.20 -2.98 0.00 0.00 0.52 0.00 0.00 34.95 32.29 2uua s ARG 36 CO -0.07 0.73 0.00 0.09 0.02 0.00 0.00 175.30 176.07 2uua n ASN 37 N 1.89 -4.23 -2.02 0.23 3.02 -1.26 0.44 115.26 113.34 2uua n ASN 37 Ca -0.18 0.24 -0.12 0.00 -0.03 0.00 0.00 54.58 54.49 2uua n ASN 37 Cb 0.54 -3.71 0.04 0.00 -0.61 0.00 0.00 39.78 36.04 2uua n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2uua n GLY 38 N -0.59 0.15 3.06 7.41 0.00 -1.26 -5.03 105.19 108.92 2uua n GLY 38 Ca -0.16 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 2uua n GLY 38 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uua s ILE 39 N -3.10 0.55 0.05 -0.61 1.01 0.17 -4.29 121.20 114.97 2uua s ILE 39 Ca 0.27 -1.03 -0.20 0.00 0.00 0.00 0.00 60.65 59.70 2uua s ILE 39 Cb -0.12 -0.60 -0.06 0.00 0.01 0.00 0.00 42.46 41.68 2uua s ILE 39 CO 0.34 -0.34 0.57 -1.00 0.00 0.00 0.00 174.94 174.51 2uua s HIS 40 N -1.29 3.76 -0.25 3.97 3.76 -0.89 -1.05 115.29 123.30 2uua s HIS 40 Ca -0.09 1.24 0.02 0.00 -0.15 0.00 0.00 55.06 56.08 2uua s HIS 40 Cb -0.09 -2.53 0.06 0.00 1.11 0.00 0.00 32.58 31.13 2uua s HIS 40 CO 0.00 0.51 -0.10 0.42 -0.85 0.00 0.00 174.74 174.73 2uua s ILE 41 N -0.81 2.02 0.28 0.60 1.01 0.44 -3.60 121.20 121.15 2uua s ILE 41 Ca 0.29 -1.54 -0.29 0.00 0.00 0.00 0.00 60.65 59.11 2uua s ILE 41 Cb -0.19 -2.17 -0.13 0.00 0.01 0.00 0.00 42.46 39.98 2uua s ILE 41 CO 0.18 -0.04 1.23 -0.38 0.00 0.00 0.00 174.94 175.92 2uua n ILE 42 N 4.49 1.60 -2.22 2.92 -0.00 -0.27 0.35 119.36 126.22 2uua n ILE 42 Ca -0.14 -0.40 -0.37 0.00 -0.00 0.00 0.00 62.75 61.84 2uua n ILE 42 Cb 0.42 -1.30 -0.03 0.00 -0.00 0.00 0.00 39.64 38.73 2uua n ILE 42 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2uua s ASP 43 N -0.19 5.59 0.25 4.38 -1.08 -0.71 -4.51 116.67 120.41 2uua s ASP 43 Ca 0.62 -0.21 -0.07 0.00 -0.52 0.00 0.00 52.55 52.37 2uua s ASP 43 Cb -0.66 -2.55 0.46 0.00 -1.46 0.00 0.00 42.92 38.72 2uua s ASP 43 CO 0.57 -2.22 1.62 -0.07 0.52 0.00 0.00 175.17 175.58 2uua h LEU 44 N 15.48 -0.47 -0.84 -1.34 3.38 -1.90 -0.68 115.31 128.94 2uua h LEU 44 Ca -0.16 0.22 0.17 0.00 0.09 0.00 0.00 57.88 58.20 2uua h LEU 44 Cb 1.09 0.40 -0.11 0.00 0.09 0.00 0.00 40.66 42.14 2uua h LEU 44 CO 1.25 -0.23 0.38 1.56 0.09 0.00 0.00 178.44 181.50 2uua h GLN 45 N 0.06 0.48 0.00 1.13 4.20 -1.96 0.25 115.11 119.28 2uua h GLN 45 Ca 0.43 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.09 2uua h GLN 45 Cb 0.77 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 2uua h GLN 45 CO -0.75 0.32 -0.13 0.87 -0.67 0.00 0.00 178.83 178.47 2uua h LYS 46 N 0.50 0.00 -0.57 1.46 1.57 -1.55 -2.46 116.57 115.52 2uua h LYS 46 Ca 0.48 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.23 2uua h LYS 46 Cb 0.79 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 2uua h LYS 46 CO -0.43 0.13 0.20 1.15 -0.57 0.00 0.00 179.45 179.93 2uua h THR 47 N 0.00 1.21 0.04 -0.16 2.02 0.02 -2.82 112.91 113.22 2uua h THR 47 Ca -0.00 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 2uua h THR 47 Cb 0.90 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2uua h THR 47 CO 0.02 0.27 -0.02 0.24 0.37 0.00 0.00 175.52 176.40 2uua h MET 48 N 0.82 -0.05 -0.96 6.66 2.86 -0.91 -2.59 114.93 120.75 2uua h MET 48 Ca 0.19 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 58.11 2uua h MET 48 Cb 0.20 0.01 -0.18 0.00 0.06 0.00 0.00 31.60 31.70 2uua h MET 48 CO -0.01 -0.03 0.05 0.39 1.06 0.00 0.00 176.91 178.36 2uua n GLU 49 N -2.14 -0.08 0.06 1.72 1.02 -1.13 -0.34 120.64 119.75 2uua n GLU 49 Ca -0.01 1.44 -0.13 0.00 -0.02 0.00 0.00 57.16 58.44 2uua n GLU 49 Cb 0.02 -2.30 -0.08 0.00 -0.02 0.00 0.00 31.44 29.06 2uua n GLU 49 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2uua h GLU 50 N 0.00 -0.11 -0.58 3.49 4.39 -1.55 -2.00 114.58 118.22 2uua h GLU 50 Ca 0.60 0.01 0.10 0.00 0.34 0.00 0.00 59.36 60.41 2uua h GLU 50 Cb 1.26 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 29.82 2uua h GLU 50 CO -0.90 0.13 -0.33 -0.07 -1.16 0.00 0.00 179.01 176.69 2uua h LEU 51 N -0.35 -1.13 0.00 1.33 3.38 -0.26 1.18 115.31 119.45 2uua h LEU 51 Ca -0.01 0.22 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2uua h LEU 51 Cb 0.30 0.57 0.00 0.00 0.09 0.00 0.00 40.66 41.61 2uua h LEU 51 CO 0.02 -0.30 0.00 1.21 0.09 0.00 0.00 178.44 179.46 2uua n GLU 52 N -5.43 0.00 -0.29 1.13 2.13 -0.45 0.19 120.64 117.92 2uua n GLU 52 Ca 0.04 0.77 0.20 0.00 0.66 0.00 0.00 57.16 58.83 2uua n GLU 52 Cb 0.35 -1.47 0.49 0.00 0.27 0.00 0.00 31.44 31.09 2uua n GLU 52 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2uua h ARG 53 N 0.00 0.42 0.15 5.31 2.43 -0.69 0.20 114.38 122.21 2uua h ARG 53 Ca 0.00 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2uua h ARG 53 Cb 0.00 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2uua h ARG 53 CO 0.00 0.28 -0.07 1.15 -1.51 0.00 0.00 179.97 179.82 2uua h THR 54 N 0.44 0.18 -0.98 0.20 2.02 0.21 -2.90 112.91 112.08 2uua h THR 54 Ca 0.53 -0.95 0.19 0.00 0.77 0.00 0.00 66.41 66.95 2uua h THR 54 Cb 1.28 0.32 -0.09 0.00 -1.74 0.00 0.00 68.15 67.92 2uua h THR 54 CO -0.24 0.05 0.61 -0.26 0.37 0.00 0.00 175.52 176.06 2uua h PHE 55 N -1.04 0.90 -0.30 3.16 0.05 0.25 0.44 116.94 120.40 2uua h PHE 55 Ca -0.02 0.03 0.06 0.00 3.82 0.00 0.00 57.97 61.85 2uua h PHE 55 Cb 0.25 -0.27 -0.05 0.00 2.00 0.00 0.00 35.95 37.87 2uua h PHE 55 CO 0.02 0.21 -0.03 -0.09 -0.18 0.00 0.00 178.31 178.25 2uua h ARG 56 N 0.65 0.05 -0.41 1.51 2.43 -0.68 1.09 114.38 119.02 2uua h ARG 56 Ca 0.54 -0.00 0.04 0.00 -0.81 0.00 0.00 59.98 59.75 2uua h ARG 56 Cb 0.99 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.49 2uua h ARG 56 CO -0.31 0.03 0.19 0.35 -1.51 0.00 0.00 179.97 178.73 2uua h PHE 57 N 0.05 0.35 0.50 2.20 3.57 0.01 -2.20 116.94 121.42 2uua h PHE 57 Ca 0.14 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2uua h PHE 57 Cb 0.20 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 2uua h PHE 57 CO -0.25 0.17 -0.42 0.82 -2.23 0.00 0.00 178.31 176.40 2uua h ILE 58 N 0.39 0.15 -0.95 1.41 2.04 0.68 -1.49 117.51 119.73 2uua h ILE 58 Ca 0.18 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.15 2uua h ILE 58 Cb 0.10 0.15 -0.13 0.00 -0.74 0.00 0.00 36.82 36.20 2uua h ILE 58 CO -0.14 0.00 -0.48 1.21 0.00 0.00 0.00 178.15 178.74 2uua n GLU 59 N -5.53 -0.34 0.05 2.37 2.13 0.36 -1.11 120.64 118.58 2uua n GLU 59 Ca -0.12 1.44 -0.03 0.00 0.66 0.00 0.00 57.16 59.12 2uua n GLU 59 Cb 0.42 -2.13 -0.01 0.00 0.27 0.00 0.00 31.44 29.99 2uua n GLU 59 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2uua h ASP 60 N 0.00 -0.18 -1.26 4.31 3.45 -1.15 -0.86 116.42 120.73 2uua h ASP 60 Ca 0.23 0.01 0.42 0.00 0.43 0.00 0.00 57.03 58.12 2uua h ASP 60 Cb 0.46 0.05 -0.11 0.00 -0.56 0.00 0.00 39.33 39.17 2uua h ASP 60 CO -0.91 -0.10 0.83 -0.11 -1.57 0.00 0.00 179.24 177.38 2uua n LEU 61 N -2.62 0.16 0.03 1.55 -0.00 -0.58 -0.96 117.00 114.57 2uua n LEU 61 Ca -0.02 1.15 -0.02 0.00 -0.00 0.00 0.00 56.01 57.12 2uua n LEU 61 Cb 0.07 -0.57 -0.01 0.00 -0.00 0.00 0.00 43.42 42.91 2uua n LEU 61 CO 0.04 -1.24 0.09 0.00 -0.00 0.00 0.00 177.39 176.28 2uua h ALA 62 N 1.30 -0.20 0.00 1.96 0.00 -0.83 0.47 119.26 121.96 2uua h ALA 62 Ca 0.77 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.64 2uua h ALA 62 Cb 2.56 0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.41 2uua h ALA 62 CO -0.35 -0.19 0.00 0.00 0.00 0.00 0.00 179.25 178.71 2uua n MET 63 N -3.99 0.45 0.00 0.00 0.00 -0.14 0.21 117.12 113.66 2uua n MET 63 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.68 2uua n MET 63 Cb 0.06 -1.27 0.00 0.00 0.00 0.00 0.00 33.22 32.01 2uua n MET 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2uua n ARG 64 N 0.72 1.47 -0.70 3.17 0.63 -0.65 -4.98 116.66 116.32 2uua n ARG 64 Ca 0.00 -0.05 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2uua n ARG 64 Cb 0.22 -0.30 0.00 0.00 0.45 0.00 0.00 32.46 32.82 2uua n ARG 64 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2uua n GLY 65 N 0.22 0.60 3.81 5.14 0.00 0.56 -5.05 105.19 110.47 2uua n GLY 65 Ca 0.00 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 2uua n GLY 65 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2uua s GLY 66 N -2.38 2.62 0.07 -0.02 0.00 0.16 -5.00 107.32 102.77 2uua s GLY 66 Ca 0.00 0.30 -0.15 0.00 0.00 0.00 0.00 44.72 44.87 2uua s GLY 66 CO 0.00 0.66 0.49 -0.51 0.00 0.00 0.00 173.10 173.73 2uua s THR 67 N -1.68 4.92 -0.10 0.90 -4.23 -1.26 -4.49 115.64 109.70 2uua s THR 67 Ca 0.49 0.87 0.01 0.00 -1.18 0.00 0.00 61.69 61.88 2uua s THR 67 Cb -0.16 -3.75 -0.02 0.00 1.34 0.00 0.00 72.50 69.91 2uua s THR 67 CO 0.21 0.43 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.95 2uua s ILE 68 N -1.25 3.07 -0.24 2.99 1.01 -1.26 -1.33 121.20 124.19 2uua s ILE 68 Ca 0.30 -0.68 -0.10 0.00 0.00 0.00 0.00 60.65 60.17 2uua s ILE 68 Cb -0.16 -2.26 -0.05 0.00 0.01 0.00 0.00 42.46 40.00 2uua s ILE 68 CO 0.17 0.55 0.16 -0.22 0.00 0.00 0.00 174.94 175.59 2uua s LEU 69 N -0.02 4.09 -0.20 2.97 0.20 -0.92 -3.57 118.68 121.22 2uua s LEU 69 Ca -0.03 0.10 -0.14 0.00 0.69 0.00 0.00 54.13 54.75 2uua s LEU 69 Cb -0.14 -2.10 -0.04 0.00 -0.43 0.00 0.00 46.19 43.48 2uua s LEU 69 CO 0.04 0.07 0.29 -0.36 -0.29 0.00 0.00 176.35 176.10 2uua s PHE 70 N 1.05 3.38 -0.18 5.38 0.40 -1.06 -0.30 117.98 126.66 2uua s PHE 70 Ca 0.07 0.49 0.01 0.00 -0.60 0.00 0.00 56.93 56.90 2uua s PHE 70 Cb -0.14 -2.39 0.03 0.00 0.51 0.00 0.00 43.02 41.03 2uua s PHE 70 CO 0.04 0.09 -0.17 0.08 0.70 0.00 0.00 175.22 175.97 2uua s VAL 71 N 0.97 1.90 -0.24 -0.44 1.01 0.79 -0.57 120.40 123.82 2uua s VAL 71 Ca 0.15 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 2uua s VAL 71 Cb -0.14 -1.77 0.10 0.00 0.00 0.00 0.00 36.38 34.57 2uua s VAL 71 CO 0.05 0.44 0.53 -0.83 0.00 0.00 0.00 175.10 175.29 2uua s GLY 72 N 1.34 -0.51 0.00 4.51 0.00 -1.13 -2.18 107.32 109.35 2uua s GLY 72 Ca 0.03 1.90 0.00 0.00 0.00 0.00 0.00 44.72 46.66 2uua s GLY 72 CO -0.11 2.54 0.00 2.41 0.00 0.00 0.00 173.10 177.94 2uua n THR 73 N 5.14 0.00 0.00 0.90 -1.04 -1.26 -4.26 114.28 113.76 2uua n THR 73 Ca -0.13 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 2uua n THR 73 Cb 0.51 0.57 0.00 0.00 -1.82 0.00 0.00 70.33 69.59 2uua n THR 73 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2uua n LYS 74 N -0.92 0.00 0.00 -2.82 4.81 -1.26 -4.68 118.16 113.28 2uua n LYS 74 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2uua n LYS 74 Cb 0.00 -1.95 0.00 0.00 0.02 0.00 0.00 35.03 33.10 2uua n LYS 74 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2uua n LYS 75 N -0.98 0.00 0.00 1.64 4.76 -1.26 -4.45 118.16 117.88 2uua n LYS 75 Ca 0.00 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.55 2uua n LYS 75 Cb 0.49 -2.64 -0.13 0.00 -1.84 0.00 0.00 35.03 30.90 2uua n LYS 75 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 2uua n GLN 76 N -1.64 0.51 -0.00 1.97 1.13 -1.26 -4.15 117.38 113.93 2uua n GLN 76 Ca 0.00 -0.12 0.01 0.00 -1.94 0.00 0.00 57.00 54.95 2uua n GLN 76 Cb 0.00 -1.55 -0.02 0.00 0.11 0.00 0.00 30.24 28.78 2uua n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2uua n ALA 77 N -2.08 2.10 -0.22 -1.58 0.00 -1.26 -4.18 120.51 113.28 2uua n ALA 77 Ca -0.02 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 2uua n ALA 77 Cb 0.52 -0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.83 2uua n ALA 77 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2uua n GLN 78 N -1.65 -0.24 -0.05 0.00 7.27 -1.26 0.11 117.38 121.57 2uua n GLN 78 Ca -0.01 0.86 -0.16 0.00 0.07 0.00 0.00 57.00 57.76 2uua n GLN 78 Cb 0.12 -1.26 -0.07 0.00 2.41 0.00 0.00 30.24 31.45 2uua n GLN 78 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 2uua h ASP 79 N 0.00 0.81 -0.89 1.69 3.32 -1.88 -2.67 116.42 116.79 2uua h ASP 79 Ca 0.09 -0.59 0.08 0.00 0.02 0.00 0.00 57.03 56.63 2uua h ASP 79 Cb 0.22 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.47 2uua h ASP 79 CO -0.50 1.25 0.58 0.40 -1.72 0.00 0.00 179.24 179.25 2uua h ILE 80 N 0.41 1.00 -0.43 0.35 2.04 -1.34 0.44 117.51 119.99 2uua h ILE 80 Ca -0.02 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 2uua h ILE 80 Cb 1.17 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2uua h ILE 80 CO 0.12 0.17 -0.11 0.58 0.00 0.00 0.00 178.15 178.91 2uua h VAL 81 N 0.93 1.27 -0.54 1.67 2.07 -0.29 -2.42 116.25 118.95 2uua h VAL 81 Ca 0.40 -1.22 -0.04 0.00 0.82 0.00 0.00 66.70 66.67 2uua h VAL 81 Cb 0.33 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2uua h VAL 81 CO -0.16 0.41 0.19 -0.09 0.02 0.00 0.00 177.57 177.94 2uua h ARG 82 N 0.66 0.79 0.00 1.57 9.65 -0.84 -2.67 114.38 123.53 2uua h ARG 82 Ca 0.11 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2uua h ARG 82 Cb 0.64 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.09 2uua h ARG 82 CO 0.04 0.67 0.00 -1.33 2.80 0.00 0.00 179.97 182.15 2uua n MET 83 N -4.32 0.00 -0.21 0.20 2.81 0.02 -3.22 117.12 112.40 2uua n MET 83 Ca 0.04 0.00 0.29 0.00 -1.81 0.00 0.00 57.70 56.22 2uua n MET 83 Cb 0.18 -0.65 0.52 0.00 -0.71 0.00 0.00 33.22 32.56 2uua n MET 83 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2uua h GLU 84 N 0.00 0.00 -0.06 0.03 4.39 -1.59 1.18 114.58 118.53 2uua h GLU 84 Ca 0.00 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.55 2uua h GLU 84 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2uua h GLU 84 CO 0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 179.01 177.22 2uua h ALA 85 N 0.73 0.82 0.02 3.43 0.00 -1.58 -3.01 119.26 119.67 2uua h ALA 85 Ca 0.48 -0.56 -0.28 0.00 0.00 0.00 0.00 54.91 54.55 2uua h ALA 85 Cb 2.71 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 20.37 2uua h ALA 85 CO -0.01 0.75 -1.57 0.93 0.00 0.00 0.00 179.25 179.35 2uua h GLU 86 N 0.17 0.04 0.00 0.00 5.08 0.14 -3.13 114.58 116.87 2uua h GLU 86 Ca -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2uua h GLU 86 Cb 1.14 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2uua h GLU 86 CO 0.10 0.69 0.00 -2.13 -1.00 0.00 0.00 179.01 176.67 2uua n ARG 87 N -3.17 0.43 -3.94 2.33 0.63 -0.07 -4.33 116.66 108.55 2uua n ARG 87 Ca -0.14 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.69 2uua n ARG 87 Cb 1.03 -1.06 -0.10 0.00 0.45 0.00 0.00 32.46 32.78 2uua n ARG 87 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2uua s ALA 88 N -2.00 -0.04 -2.00 5.13 0.00 -1.15 -4.93 121.76 116.77 2uua s ALA 88 Ca 0.03 -0.54 0.13 0.00 0.00 0.00 0.00 51.96 51.58 2uua s ALA 88 Cb 0.01 0.22 0.79 0.00 0.00 0.00 0.00 23.12 24.14 2uua s ALA 88 CO 0.02 -0.29 1.22 0.41 0.00 0.00 0.00 175.76 177.12 2uua n GLY 89 N 0.91 -0.54 3.76 0.00 0.00 -1.26 -4.80 105.19 103.27 2uua n GLY 89 Ca -0.20 -0.08 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 2uua n GLY 89 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2uua s MET 90 N -2.00 3.25 0.83 1.61 -1.94 -1.18 -5.02 119.30 114.84 2uua s MET 90 Ca 0.20 1.76 -0.09 0.00 -1.71 0.00 0.00 55.69 55.84 2uua s MET 90 Cb 0.09 -2.05 0.14 0.00 2.01 0.00 0.00 34.83 35.02 2uua s MET 90 CO 0.15 -0.96 1.15 -2.14 -0.01 0.00 0.00 175.02 173.21 2uua s PRO 91 N -3.19 1.38 -0.17 2.03 0.02 -1.23 -4.35 135.00 129.48 2uua s PRO 91 Ca 0.73 -0.51 -0.30 0.00 0.02 0.00 0.00 61.00 60.93 2uua s PRO 91 Cb -0.28 -2.06 0.14 0.00 0.02 0.00 0.00 34.50 32.32 2uua s PRO 91 CO 0.32 -1.82 1.09 1.52 -0.33 0.00 0.00 177.00 177.77 2uua s TYR 92 N -3.52 -0.27 -0.28 6.54 -0.85 0.49 -2.58 117.35 116.88 2uua s TYR 92 Ca 0.68 0.39 0.01 0.00 -0.52 0.00 0.00 57.07 57.63 2uua s TYR 92 Cb -0.06 0.48 0.06 0.00 0.38 0.00 0.00 41.96 42.81 2uua s TYR 92 CO 0.48 -0.28 -0.06 0.08 -1.52 0.00 0.00 175.55 174.25 2uua s VAL 93 N -1.50 2.56 -0.23 -3.49 1.01 0.26 -2.29 120.40 116.73 2uua s VAL 93 Ca 0.03 -1.52 -0.02 0.00 0.00 0.00 0.00 61.98 60.47 2uua s VAL 93 Cb -0.01 -2.49 -0.13 0.00 0.00 0.00 0.00 36.38 33.75 2uua s VAL 93 CO -0.02 -0.07 -0.22 -3.20 0.00 0.00 0.00 175.10 171.58 2uua n ASN 94 N 4.52 2.13 0.00 3.32 2.85 -1.26 -2.82 115.26 123.99 2uua n ASN 94 Ca -0.13 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 2uua n ASN 94 Cb 0.43 -0.44 0.00 0.00 1.24 0.00 0.00 39.78 41.01 2uua n ASN 94 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2uua n GLN 95 N -3.37 0.00 -5.01 1.20 1.13 -1.26 -4.38 117.38 105.68 2uua n GLN 95 Ca -0.41 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.37 2uua n GLN 95 Cb 0.90 -0.05 -0.15 0.00 0.11 0.00 0.00 30.24 31.04 2uua n GLN 95 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2uua s ARG 96 N 0.00 1.75 -0.40 -1.09 3.00 -1.26 -4.75 118.95 116.20 2uua s ARG 96 Ca 0.00 -0.86 -0.27 0.00 0.00 0.00 0.00 55.73 54.60 2uua s ARG 96 Cb 0.00 -1.75 0.02 0.00 0.00 0.00 0.00 34.95 33.22 2uua s ARG 96 CO 0.00 0.47 0.99 -0.46 0.00 0.00 0.00 175.30 176.30 2uua s TRP 97 N -0.61 3.00 0.03 -0.53 -0.00 -1.26 -5.02 118.94 114.56 2uua s TRP 97 Ca 0.09 0.74 -0.29 0.00 -0.00 0.00 0.00 56.10 56.64 2uua s TRP 97 Cb -0.09 -3.88 -0.04 0.00 -0.00 0.00 0.00 33.47 29.46 2uua s TRP 97 CO -0.00 -0.97 0.95 -0.51 -0.00 0.00 0.00 176.95 176.42 2uua s LEU 98 N 3.76 4.41 -0.16 5.86 1.43 -1.26 -4.96 118.68 127.76 2uua s LEU 98 Ca 0.41 1.66 -0.29 0.00 -1.03 0.00 0.00 54.13 54.89 2uua s LEU 98 Cb -0.11 -3.53 -0.06 0.00 0.03 0.00 0.00 46.19 42.53 2uua s LEU 98 CO 0.22 -0.17 2.06 -0.83 0.23 0.00 0.00 176.35 177.87 2uua s GLY 99 N 0.61 0.85 0.00 -3.19 0.00 -1.26 -1.86 107.32 102.46 2uua s GLY 99 Ca 0.49 0.86 0.00 0.00 0.00 0.00 0.00 44.72 46.07 2uua s GLY 99 CO 0.28 3.60 0.00 0.61 0.00 0.00 0.00 173.10 177.59 2uua n GLY 100 N 5.30 0.85 0.33 0.20 0.00 -1.26 -4.88 105.19 105.72 2uua n GLY 100 Ca 0.26 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.17 2uua n GLY 100 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2uua h MET 101 N 1.66 -0.36 0.08 1.61 0.00 -1.65 2.17 114.93 118.45 2uua h MET 101 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 59.70 59.60 2uua h MET 101 Cb 0.00 0.08 0.01 0.00 0.00 0.00 0.00 31.60 31.70 2uua h MET 101 CO 0.00 -0.24 -0.54 -0.07 0.00 0.00 0.00 176.91 176.06 2uua h LEU 102 N -0.37 0.33 -0.84 1.22 4.07 -1.94 -1.74 115.31 116.04 2uua h LEU 102 Ca 0.03 -0.94 -0.12 0.00 0.08 0.00 0.00 57.88 56.93 2uua h LEU 102 Cb 0.46 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 2uua h LEU 102 CO -0.34 1.24 -0.49 0.74 -1.08 0.00 0.00 178.44 178.51 2uua h THR 103 N -0.54 1.35 -0.46 0.22 2.02 -1.84 -3.12 112.91 110.54 2uua h THR 103 Ca -0.09 -1.72 -0.34 0.00 0.77 0.00 0.00 66.41 65.03 2uua h THR 103 Cb 1.40 1.83 -0.33 0.00 -1.74 0.00 0.00 68.15 69.31 2uua h THR 103 CO 0.10 0.51 -0.83 -3.20 0.37 0.00 0.00 175.52 172.47 2uua n ASN 104 N -3.96 3.22 -0.27 4.18 5.15 0.71 -4.92 115.26 119.36 2uua n ASN 104 Ca -0.02 -3.27 -0.04 0.00 -0.60 0.00 0.00 54.58 50.65 2uua n ASN 104 Cb 0.53 -0.41 0.02 0.00 -0.53 0.00 0.00 39.78 39.40 2uua n ASN 104 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 2uua h PHE 105 N 1.92 -0.99 -0.76 1.20 3.57 -0.00 -0.97 116.94 120.91 2uua h PHE 105 Ca 0.13 0.09 0.11 0.00 3.53 0.00 0.00 57.97 61.83 2uua h PHE 105 Cb 1.40 0.54 -0.08 0.00 2.79 0.00 0.00 35.95 40.61 2uua h PHE 105 CO 0.70 -0.39 0.38 -0.22 -2.23 0.00 0.00 178.31 176.55 2uua h LYS 106 N -0.10 0.59 0.56 1.11 3.64 -1.87 0.18 116.57 120.69 2uua h LYS 106 Ca 0.28 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 2uua h LYS 106 Cb 0.57 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2uua h LYS 106 CO -0.80 0.39 -0.27 1.15 -2.27 0.00 0.00 179.45 177.65 2uua h THR 107 N 0.61 0.00 -0.95 1.00 2.02 -1.59 -2.89 112.91 111.11 2uua h THR 107 Ca 0.39 -0.22 0.30 0.00 0.77 0.00 0.00 66.41 67.65 2uua h THR 107 Cb 0.46 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 66.71 2uua h THR 107 CO -0.30 0.00 0.35 0.40 0.37 0.00 0.00 175.52 176.34 2uua h ILE 108 N -0.97 0.21 0.00 3.11 1.08 -0.98 0.81 117.51 120.77 2uua h ILE 108 Ca -0.08 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 2uua h ILE 108 Cb 0.58 0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.35 2uua h ILE 108 CO 0.13 0.03 -0.03 0.77 -0.69 0.00 0.00 178.15 178.36 2uua h SER 109 N 0.18 0.00 0.16 1.72 4.64 -0.52 -0.81 113.55 118.91 2uua h SER 109 Ca 0.66 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.98 2uua h SER 109 Cb 1.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.57 2uua h SER 109 CO -0.70 0.03 0.00 1.56 -0.87 0.00 0.00 176.83 176.85 2uua h GLN 110 N 0.00 0.00 0.12 4.77 4.20 0.86 0.11 115.11 125.17 2uua h GLN 110 Ca -0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 2uua h GLN 110 Cb 0.19 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.00 2uua h GLN 110 CO 0.00 0.00 -1.22 0.00 -0.67 0.00 0.00 178.83 176.95 2uua h ARG 111 N 0.00 0.62 -0.37 1.46 2.47 -1.23 -2.82 114.38 114.50 2uua h ARG 111 Ca 0.00 -0.82 -0.11 0.00 -1.26 0.00 0.00 59.98 57.79 2uua h ARG 111 Cb 0.08 0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 2uua h ARG 111 CO 0.00 1.37 -0.21 0.28 0.56 0.00 0.00 179.97 181.97 2uua h VAL 112 N 0.25 1.27 0.00 2.04 2.07 -0.95 0.30 116.25 121.23 2uua h VAL 112 Ca -0.19 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.04 2uua h VAL 112 Cb 1.89 1.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 2uua h VAL 112 CO 0.23 0.43 0.00 1.41 0.02 0.00 0.00 177.57 179.67 2uua n HIS 113 N -4.12 0.00 -0.10 1.57 8.25 -0.36 -1.45 115.22 119.01 2uua n HIS 113 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.35 2uua n HIS 113 Cb 0.42 -0.43 -0.13 0.00 1.12 0.00 0.00 29.99 30.96 2uua n HIS 113 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2uua n ARG 114 N -1.43 0.89 0.00 -0.41 0.00 -0.34 -3.72 116.66 111.65 2uua n ARG 114 Ca 0.04 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.92 2uua n ARG 114 Cb 0.13 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.12 2uua n ARG 114 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2uua n LEU 115 N -2.83 0.10 -0.16 6.15 7.94 0.91 -1.25 117.00 127.87 2uua n LEU 115 Ca -0.33 0.80 -0.07 0.00 -1.11 0.00 0.00 56.01 55.29 2uua n LEU 115 Cb 1.05 -0.36 -0.06 0.00 0.53 0.00 0.00 43.42 44.58 2uua n LEU 115 CO 0.34 -0.36 0.49 -0.33 -1.11 0.00 0.00 177.39 176.43 2uua h GLU 116 N 0.00 -0.11 -0.47 1.96 5.08 -1.56 0.63 114.58 120.10 2uua h GLU 116 Ca 0.00 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.50 2uua h GLU 116 Cb 0.00 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2uua h GLU 116 CO 0.00 -0.08 0.71 1.05 -1.00 0.00 0.00 179.01 179.70 2uua h GLU 117 N -0.12 0.00 0.00 2.33 -0.00 -1.64 -0.87 114.58 114.28 2uua h GLU 117 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.42 2uua h GLU 117 Cb 0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.04 2uua h GLU 117 CO -0.45 0.00 -0.08 1.25 -0.00 0.00 0.00 179.01 179.73 2uua h LEU 118 N 0.00 0.00 -1.08 3.06 6.46 0.16 -3.27 115.31 120.64 2uua h LEU 118 Ca 0.22 -0.40 0.12 0.00 -0.12 0.00 0.00 57.88 57.71 2uua h LEU 118 Cb 1.64 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.56 2uua h LEU 118 CO -0.00 0.74 0.85 -0.33 -0.62 0.00 0.00 178.44 179.08 2uua h GLU 119 N -1.00 0.00 0.57 1.25 5.08 -0.02 0.68 114.58 121.14 2uua h GLU 119 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2uua h GLU 119 Cb 0.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.72 2uua h GLU 119 CO -0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 179.01 177.73 2uua h ALA 120 N 0.70 -0.77 0.00 3.43 0.00 -1.54 -2.40 119.26 118.68 2uua h ALA 120 Ca 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2uua h ALA 120 Cb 1.89 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.98 2uua h ALA 120 CO -0.00 -0.80 0.00 -0.11 0.00 0.00 0.00 179.25 178.33 2uua n LEU 121 N -5.33 0.00 -0.07 0.00 0.00 0.24 -1.45 117.00 110.38 2uua n LEU 121 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.76 2uua n LEU 121 Cb 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.65 2uua n LEU 121 CO 0.31 0.00 0.16 0.15 0.00 0.00 0.00 177.39 178.01 2uua h PHE 122 N 0.00 0.00 -2.46 1.96 3.57 -1.36 -3.35 116.94 115.30 2uua h PHE 122 Ca 0.00 0.00 -0.77 0.00 3.53 0.00 0.00 57.97 60.73 2uua h PHE 122 Cb 0.00 0.00 -0.30 0.00 2.79 0.00 0.00 35.95 38.44 2uua h PHE 122 CO 0.00 0.92 0.66 0.00 -2.23 0.00 0.00 178.31 177.66 2uua n ALA 123 N -2.80 5.51 -2.20 2.41 0.00 -0.53 -4.72 120.51 118.18 2uua n ALA 123 Ca -0.12 -4.70 -0.12 0.00 0.00 0.00 0.00 53.44 48.50 2uua n ALA 123 Cb 0.44 -2.00 -0.10 0.00 0.00 0.00 0.00 19.45 17.80 2uua n ALA 123 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2uua s SER 124 N -1.81 0.62 0.00 0.00 1.04 -1.25 -5.01 113.70 107.30 2uua s SER 124 Ca 0.38 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.57 2uua s SER 124 Cb 0.15 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2uua s SER 124 CO -0.04 -0.70 0.69 -0.81 0.98 0.00 0.00 173.24 173.36 2uua n PRO 125 N -0.19 0.79 0.00 4.02 -0.04 -1.26 -2.57 135.00 135.76 2uua n PRO 125 Ca -0.04 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.45 2uua n PRO 125 Cb 0.64 -1.10 0.01 0.00 -0.04 0.00 0.00 33.50 33.01 2uua n PRO 125 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2uua n GLU 126 N -0.34 1.47 0.00 0.54 1.02 -1.26 -4.74 120.64 117.32 2uua n GLU 126 Ca 0.00 -0.65 0.00 0.00 -0.02 0.00 0.00 57.16 56.49 2uua n GLU 126 Cb 0.05 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 2uua n GLU 126 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2uua n ILE 127 N -0.06 0.00 -2.61 -3.67 5.41 -1.06 -3.50 119.36 113.87 2uua n ILE 127 Ca 0.03 1.38 -0.42 0.00 1.00 0.00 0.00 62.75 64.74 2uua n ILE 127 Cb 0.16 -2.11 -0.01 0.00 -0.71 0.00 0.00 39.64 36.97 2uua n ILE 127 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2uua s GLU 128 N -2.54 3.84 0.00 0.38 0.41 -1.26 -4.40 118.70 115.13 2uua s GLU 128 Ca 0.00 -1.71 0.00 0.00 -0.41 0.00 0.00 54.97 52.85 2uua s GLU 128 Cb 0.00 -5.43 0.00 0.00 -1.78 0.00 0.00 34.13 26.92 2uua s GLU 128 CO 0.00 -2.20 0.00 0.39 -0.49 0.00 0.00 175.26 172.96 2uua n GLU 129 N 8.35 0.16 -4.62 1.61 1.02 -1.23 -5.08 120.64 120.85 2uua n GLU 129 Ca 0.42 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.26 2uua n GLU 129 Cb 0.48 -0.65 -0.13 0.00 -0.02 0.00 0.00 31.44 31.12 2uua n GLU 129 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2uua s ARG 130 N -1.29 1.77 1.12 3.49 1.81 -1.26 -5.13 118.95 119.46 2uua s ARG 130 Ca 0.00 -1.15 -0.17 0.00 -1.72 0.00 0.00 55.73 52.70 2uua s ARG 130 Cb 0.00 -2.04 0.20 0.00 -0.45 0.00 0.00 34.95 32.66 2uua s ARG 130 CO 0.00 0.50 0.37 -0.35 -0.68 0.00 0.00 175.30 175.14 2uua n PRO 131 N 1.35 -2.61 0.00 3.54 -0.04 -1.26 -4.30 135.00 131.69 2uua n PRO 131 Ca -0.17 -0.77 0.04 0.00 -0.04 0.00 0.00 63.50 62.56 2uua n PRO 131 Cb 0.52 -1.62 0.21 0.00 -0.04 0.00 0.00 33.50 32.57 2uua n PRO 131 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2uua n LYS 132 N -2.65 0.39 0.00 0.54 4.01 -1.26 -1.63 118.16 117.56 2uua n LYS 132 Ca 0.06 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.86 2uua n LYS 132 Cb 0.46 -1.28 0.00 0.00 -0.51 0.00 0.00 35.03 33.70 2uua n LYS 132 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2uua n LYS 133 N -0.78 0.96 0.03 1.97 5.02 -1.26 -2.73 118.16 121.36 2uua n LYS 133 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 2uua n LYS 133 Cb 0.02 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 2uua n LYS 133 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2uua n GLU 134 N -0.50 0.00 0.33 1.97 1.02 -0.65 -4.81 120.64 118.01 2uua n GLU 134 Ca 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.28 2uua n GLU 134 Cb 0.00 0.00 0.77 0.00 -0.02 0.00 0.00 31.44 32.19 2uua n GLU 134 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2uua h GLN 135 N 0.00 0.00 0.00 3.49 4.20 -1.42 0.53 115.11 121.91 2uua h GLN 135 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2uua h GLN 135 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2uua h GLN 135 CO 0.00 0.00 -0.59 0.28 -0.67 0.00 0.00 178.83 177.85 2uua n VAL 136 N -2.84 1.38 -0.23 -0.54 0.31 -1.11 -3.00 118.33 112.30 2uua n VAL 136 Ca -0.02 0.21 0.03 0.00 -0.01 0.00 0.00 64.34 64.56 2uua n VAL 136 Cb 0.41 -2.35 0.15 0.00 -0.91 0.00 0.00 33.84 31.13 2uua n VAL 136 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2uua h ARG 137 N -0.96 0.22 -0.11 5.55 3.08 -1.58 1.02 114.38 121.61 2uua h ARG 137 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2uua h ARG 137 Cb 0.59 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2uua h ARG 137 CO 0.00 0.15 -0.07 -0.07 -1.07 0.00 0.00 179.97 178.91 2uua h LEU 138 N 0.23 0.25 -1.02 3.04 3.38 -0.17 0.20 115.31 121.21 2uua h LEU 138 Ca 0.37 -0.44 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 2uua h LEU 138 Cb 0.61 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2uua h LEU 138 CO -0.49 0.63 0.24 0.50 0.09 0.00 0.00 178.44 179.41 2uua h LYS 139 N -0.13 0.94 -0.39 1.13 3.11 -1.25 -1.63 116.57 118.35 2uua h LYS 139 Ca 0.02 -0.16 -0.13 0.00 -2.81 0.00 0.00 60.65 57.58 2uua h LYS 139 Cb 0.55 -0.16 -0.01 0.00 -1.00 0.00 0.00 32.23 31.61 2uua h LYS 139 CO 0.02 0.78 -0.25 1.25 -2.81 0.00 0.00 179.45 178.44 2uua h HIS 140 N 0.92 1.01 -0.59 1.91 2.76 0.11 -2.94 115.15 118.34 2uua h HIS 140 Ca 0.21 -0.27 0.08 0.00 -2.20 0.00 0.00 60.37 58.20 2uua h HIS 140 Cb 0.20 -0.23 -0.07 0.00 1.55 0.00 0.00 27.41 28.87 2uua h HIS 140 CO 0.01 1.05 0.23 1.49 -1.30 0.00 0.00 177.93 179.42 2uua h GLU 141 N 0.68 0.41 -0.40 5.26 4.81 0.11 -1.19 114.58 124.27 2uua h GLU 141 Ca 0.08 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2uua h GLU 141 Cb 0.82 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2uua h GLU 141 CO 0.07 0.27 0.24 1.25 -0.73 0.00 0.00 179.01 180.11 2uua h LEU 142 N 0.43 0.47 -0.64 1.64 5.85 -1.21 -0.22 115.31 121.62 2uua h LEU 142 Ca 0.29 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.86 2uua h LEU 142 Cb 0.33 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2uua h LEU 142 CO -0.28 0.36 -0.35 -0.33 -0.34 0.00 0.00 178.44 177.51 2uua h GLU 143 N 0.54 0.67 0.34 1.25 5.08 -1.07 -0.77 114.58 120.62 2uua h GLU 143 Ca 0.14 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2uua h GLU 143 Cb -0.02 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2uua h GLU 143 CO -0.03 0.92 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.65 2uua h ARG 144 N 0.56 -0.44 -0.30 2.33 9.65 -0.59 -1.22 114.38 124.39 2uua h ARG 144 Ca 0.06 0.03 0.09 0.00 -1.10 0.00 0.00 59.98 59.05 2uua h ARG 144 Cb 0.86 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.53 2uua h ARG 144 CO 0.07 -0.29 0.64 -0.07 2.80 0.00 0.00 179.97 183.12 2uua h LEU 145 N -0.50 0.00 0.00 3.80 3.38 -1.06 0.14 115.31 121.07 2uua h LEU 145 Ca -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2uua h LEU 145 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2uua h LEU 145 CO 0.08 0.00 -1.53 0.00 0.09 0.00 0.00 178.44 177.08 2uua n GLN 146 N -3.12 0.63 0.15 1.13 6.02 -0.30 -1.94 117.38 119.96 2uua n GLN 146 Ca 0.05 -0.04 0.12 0.00 -0.01 0.00 0.00 57.00 57.12 2uua n GLN 146 Cb 0.76 -1.67 0.19 0.00 1.02 0.00 0.00 30.24 30.55 2uua n GLN 146 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 2uua h LYS 147 N 0.00 0.00 0.00 -1.09 2.10 0.52 -3.29 116.57 114.81 2uua h LYS 147 Ca -0.01 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.63 2uua h LYS 147 Cb 1.01 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.34 2uua h LYS 147 CO 0.00 0.00 -0.63 0.66 -2.00 0.00 0.00 179.45 177.49 2uua n TYR 148 N -2.68 0.00 0.82 0.07 0.53 -1.07 -4.58 117.16 110.25 2uua n TYR 148 Ca 0.03 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.91 2uua n TYR 148 Cb 0.50 -0.29 0.00 0.00 -1.03 0.00 0.00 39.34 38.52 2uua n TYR 148 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 2uua n LEU 149 N -4.01 1.10 0.00 7.72 4.77 -0.82 -4.38 117.00 121.38 2uua n LEU 149 Ca -0.09 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 2uua n LEU 149 Cb 0.31 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 2uua n LEU 149 CO 0.11 0.24 0.34 -0.24 -1.33 0.00 0.00 177.39 176.51 2uua n SER 150 N 0.18 0.00 0.00 -1.43 2.88 -1.24 -1.54 113.62 112.46 2uua n SER 150 Ca 0.00 0.68 0.13 0.00 -1.33 0.00 0.00 58.87 58.35 2uua n SER 150 Cb 0.24 -0.18 0.59 0.00 -0.75 0.00 0.00 64.21 64.11 2uua n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2uua n GLY 151 N -0.72 -1.30 0.15 0.46 0.00 -1.22 -3.07 105.19 99.49 2uua n GLY 151 Ca 0.00 -0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 2uua n GLY 151 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2uua h PHE 152 N 0.00 0.94 -0.70 1.61 3.57 -1.51 0.14 116.94 120.99 2uua h PHE 152 Ca 0.00 -0.69 0.29 0.00 3.53 0.00 0.00 57.97 61.10 2uua h PHE 152 Cb 0.37 -0.04 -0.13 0.00 2.79 0.00 0.00 35.95 38.94 2uua h PHE 152 CO 0.00 1.58 0.36 -2.13 -2.23 0.00 0.00 178.31 175.89 2uua n ARG 153 N -3.72 -0.04 -0.20 1.11 0.63 -0.59 -0.27 116.66 113.58 2uua n ARG 153 Ca -0.18 0.97 -0.06 0.00 -0.92 0.00 0.00 57.85 57.66 2uua n ARG 153 Cb 1.09 -1.74 0.03 0.00 0.45 0.00 0.00 32.46 32.30 2uua n ARG 153 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 2uua h LEU 154 N 0.00 0.69 -8.34 6.15 3.38 -1.78 -3.43 115.31 111.98 2uua h LEU 154 Ca 0.59 -0.04 -0.66 0.00 0.09 0.00 0.00 57.88 57.86 2uua h LEU 154 Cb 1.54 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.09 2uua h LEU 154 CO -0.55 0.53 1.46 -0.11 0.09 0.00 0.00 178.44 179.86 2uua n LEU 155 N -4.65 1.55 0.09 1.67 7.94 0.63 -4.82 117.00 119.41 2uua n LEU 155 Ca 0.04 0.38 -0.19 0.00 -1.11 0.00 0.00 56.01 55.12 2uua n LEU 155 Cb 0.04 -1.15 -0.15 0.00 0.53 0.00 0.00 43.42 42.69 2uua n LEU 155 CO 0.36 -0.81 -0.27 0.50 -1.11 0.00 0.00 177.39 176.06 2uua h LYS 156 N 12.06 0.35 -3.51 1.96 3.64 -1.87 -3.48 116.57 125.71 2uua h LYS 156 Ca -0.20 -0.59 -0.05 0.00 -1.27 0.00 0.00 60.65 58.54 2uua h LYS 156 Cb 1.34 0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 33.31 2uua h LYS 156 CO 1.10 1.25 -0.02 -0.98 -2.27 0.00 0.00 179.45 178.53 2uua s ARG 157 N -2.62 1.70 0.16 1.90 3.03 -1.26 -5.13 118.95 116.73 2uua s ARG 157 Ca -0.09 -1.27 -0.31 0.00 2.03 0.00 0.00 55.73 56.09 2uua s ARG 157 Cb 0.06 0.51 -0.17 0.00 -1.03 0.00 0.00 34.95 34.32 2uua s ARG 157 CO 0.88 -0.73 0.67 1.28 -1.13 0.00 0.00 175.30 176.27 2uua n LEU 158 N -0.43 -0.82 -4.44 -1.89 4.77 -1.26 -4.91 117.00 108.01 2uua n LEU 158 Ca -0.02 1.14 -0.30 0.00 -0.03 0.00 0.00 56.01 56.79 2uua n LEU 158 Cb 0.61 -0.96 0.27 0.00 -2.33 0.00 0.00 43.42 41.01 2uua n LEU 158 CO 0.22 -2.67 0.51 -2.16 -1.33 0.00 0.00 177.39 171.95 2uua s PRO 159 N -0.80 -2.14 -0.06 3.23 0.04 -1.26 -4.95 135.00 129.06 2uua s PRO 159 Ca 0.70 0.06 0.18 0.00 0.04 0.00 0.00 61.00 61.98 2uua s PRO 159 Cb -0.99 -1.48 -0.28 0.00 0.04 0.00 0.00 34.50 31.80 2uua s PRO 159 CO 0.56 -4.34 0.34 -0.25 0.04 0.00 0.00 177.00 173.35 2uua n ASP 160 N -5.23 0.67 -4.00 6.66 8.00 -0.44 -5.00 116.55 117.20 2uua n ASP 160 Ca 0.13 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.53 2uua n ASP 160 Cb 0.60 1.66 -0.06 0.00 -0.02 0.00 0.00 41.12 43.30 2uua n ASP 160 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2uua s ALA 161 N -3.12 -0.02 -0.05 2.24 0.00 -1.21 -4.04 121.76 115.56 2uua s ALA 161 Ca -0.07 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 50.89 2uua s ALA 161 Cb 0.11 1.12 0.02 0.00 0.00 0.00 0.00 23.12 24.36 2uua s ALA 161 CO 0.77 -0.82 -0.05 0.42 0.00 0.00 0.00 175.76 176.09 2uua s ILE 162 N -4.01 0.56 -0.25 0.00 1.09 -1.01 -2.17 121.20 115.42 2uua s ILE 162 Ca 0.25 -0.14 -0.03 0.00 -1.10 0.00 0.00 60.65 59.63 2uua s ILE 162 Cb 0.00 -0.58 0.02 0.00 -1.06 0.00 0.00 42.46 40.83 2uua s ILE 162 CO 0.10 0.23 -0.04 0.12 -0.10 0.00 0.00 174.94 175.25 2uua s PHE 163 N 0.90 3.05 0.00 3.97 5.36 0.59 0.11 117.98 131.96 2uua s PHE 163 Ca -0.11 -1.33 0.07 0.00 -0.96 0.00 0.00 56.93 54.60 2uua s PHE 163 Cb -0.14 -2.10 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 2uua s PHE 163 CO 0.00 -0.67 -0.21 0.08 -1.46 0.00 0.00 175.22 172.97 2uua s VAL 164 N 1.39 2.52 -0.05 3.12 1.01 0.44 -0.15 120.40 128.68 2uua s VAL 164 Ca 0.02 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 60.90 2uua s VAL 164 Cb -0.16 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.24 2uua s VAL 164 CO -0.03 0.47 -0.00 -0.37 0.00 0.00 0.00 175.10 175.16 2uua h VAL 165 N 4.25 0.00 -3.74 2.92 -1.51 -1.70 0.24 116.25 116.71 2uua h VAL 165 Ca -0.46 -0.45 -0.67 0.00 -1.23 0.00 0.00 66.70 63.89 2uua h VAL 165 Cb 1.14 0.00 -0.36 0.00 -2.13 0.00 0.00 31.29 29.94 2uua h VAL 165 CO 0.47 0.00 -0.72 -0.62 -1.23 0.00 0.00 177.57 175.48 2uua s ASP 166 N -4.16 4.77 0.24 4.19 3.68 -1.26 -3.75 116.67 120.38 2uua s ASP 166 Ca -0.00 -1.67 -0.04 0.00 2.13 0.00 0.00 52.55 52.97 2uua s ASP 166 Cb 0.00 -1.65 0.25 0.00 -1.45 0.00 0.00 42.92 40.06 2uua s ASP 166 CO 0.00 -0.31 1.73 1.55 0.13 0.00 0.00 175.17 178.27 2uua h PRO 167 N 7.83 0.91 -0.28 4.34 0.13 -1.85 1.29 132.00 144.36 2uua h PRO 167 Ca -0.15 -0.25 -0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2uua h PRO 167 Cb 1.04 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.05 2uua h PRO 167 CO 0.53 0.88 0.16 1.15 -0.23 0.00 0.00 178.00 180.49 2uua h THR 168 N 0.85 1.12 -0.27 1.56 2.02 -1.94 1.45 112.91 117.69 2uua h THR 168 Ca 0.16 -0.30 -0.15 0.00 0.77 0.00 0.00 66.41 66.90 2uua h THR 168 Cb 0.46 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2uua h THR 168 CO 0.02 0.12 -0.43 0.50 0.37 0.00 0.00 175.52 176.09 2uua h LYS 169 N 0.35 0.68 -0.65 6.66 3.11 -1.85 -3.15 116.57 121.72 2uua h LYS 169 Ca 0.10 -0.37 -0.10 0.00 -2.81 0.00 0.00 60.65 57.47 2uua h LYS 169 Cb 0.04 0.02 -0.06 0.00 -1.00 0.00 0.00 32.23 31.23 2uua h LYS 169 CO -0.02 0.98 0.13 0.39 -2.81 0.00 0.00 179.45 178.12 2uua n GLU 170 N -4.02 4.33 -0.29 1.90 -0.58 0.44 -4.72 120.64 117.70 2uua n GLU 170 Ca -0.02 -3.13 0.11 0.00 -0.42 0.00 0.00 57.16 53.69 2uua n GLU 170 Cb 0.54 -2.24 0.26 0.00 -0.57 0.00 0.00 31.44 29.43 2uua n GLU 170 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2uua h ALA 171 N 3.34 1.17 -0.24 0.62 0.00 0.20 0.19 119.26 124.55 2uua h ALA 171 Ca 0.13 0.21 0.07 0.00 0.00 0.00 0.00 54.91 55.32 2uua h ALA 171 Cb 2.15 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 20.23 2uua h ALA 171 CO 0.61 -0.43 0.29 0.82 0.00 0.00 0.00 179.25 180.54 2uua h ILE 172 N 0.22 0.37 0.00 0.00 1.08 -1.84 0.13 117.51 117.46 2uua h ILE 172 Ca 0.51 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.98 2uua h ILE 172 Cb 1.00 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 2uua h ILE 172 CO -0.63 0.00 -0.06 0.00 -0.69 0.00 0.00 178.15 176.77 2uua h ALA 173 N 1.63 0.00 -0.80 1.87 0.00 -1.00 -3.22 119.26 117.75 2uua h ALA 173 Ca 0.11 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.07 2uua h ALA 173 Cb 0.70 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 18.41 2uua h ALA 173 CO -0.00 0.06 -0.28 0.28 0.00 0.00 0.00 179.25 179.31 2uua n VAL 174 N -3.60 -0.40 -0.24 0.00 0.31 -0.77 0.84 118.33 114.47 2uua n VAL 174 Ca -0.01 1.86 0.00 0.00 -0.01 0.00 0.00 64.34 66.18 2uua n VAL 174 Cb 0.03 -2.49 0.12 0.00 -0.91 0.00 0.00 33.84 30.59 2uua n VAL 174 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2uua h ARG 175 N 0.00 0.62 -0.54 5.55 2.43 -0.94 -1.66 114.38 119.84 2uua h ARG 175 Ca 0.31 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 2uua h ARG 175 Cb 0.51 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 2uua h ARG 175 CO -0.80 0.41 0.21 0.93 -1.51 0.00 0.00 179.97 179.21 2uua h GLU 176 N 0.64 0.78 0.90 0.20 5.08 0.43 -1.83 114.58 120.77 2uua h GLU 176 Ca 0.33 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2uua h GLU 176 Cb 0.28 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.40 2uua h GLU 176 CO -0.23 0.64 -0.43 0.00 -1.00 0.00 0.00 179.01 177.99 2uua h ALA 177 N 1.47 -1.28 -0.97 3.43 0.00 -0.58 -2.74 119.26 118.58 2uua h ALA 177 Ca 0.18 -0.26 0.17 0.00 0.00 0.00 0.00 54.91 55.00 2uua h ALA 177 Cb 0.16 0.47 -0.17 0.00 0.00 0.00 0.00 17.79 18.24 2uua h ALA 177 CO -0.02 -1.20 -0.32 0.54 0.00 0.00 0.00 179.25 178.26 2uua n ARG 178 N -5.34 -0.17 -0.18 0.00 5.12 -0.74 0.02 116.66 115.37 2uua n ARG 178 Ca -0.15 1.50 -0.01 0.00 -1.93 0.00 0.00 57.85 57.26 2uua n ARG 178 Cb 0.47 -2.24 0.06 0.00 -1.16 0.00 0.00 32.46 29.60 2uua n ARG 178 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2uua h LYS 179 N 0.00 0.03 -0.61 5.56 1.79 -1.22 -1.01 116.57 121.12 2uua h LYS 179 Ca 0.39 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.86 2uua h LYS 179 Cb 0.64 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2uua h LYS 179 CO -0.98 0.02 0.00 1.28 -1.08 0.00 0.00 179.45 178.69 2uua n LEU 180 N -5.35 2.63 -2.69 2.94 4.77 0.10 -4.89 117.00 114.52 2uua n LEU 180 Ca 0.06 -1.33 -0.17 0.00 -0.03 0.00 0.00 56.01 54.55 2uua n LEU 180 Cb 0.30 -0.44 -0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2uua n LEU 180 CO 0.10 0.44 -0.13 0.49 -1.33 0.00 0.00 177.39 176.96 2uua n PHE 181 N 0.39 -1.51 -3.17 -1.77 3.01 -0.38 -4.93 117.46 109.10 2uua n PHE 181 Ca 0.12 0.16 -0.39 0.00 1.01 0.00 0.00 57.45 58.35 2uua n PHE 181 Cb 0.52 -3.14 -0.06 0.00 -0.01 0.00 0.00 39.48 36.79 2uua n PHE 181 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 2uua s ILE 182 N -2.79 5.08 0.63 4.37 1.01 -0.63 -4.99 121.20 123.87 2uua s ILE 182 Ca 0.12 1.15 -0.17 0.00 0.00 0.00 0.00 60.65 61.75 2uua s ILE 182 Cb -0.06 -3.92 -0.07 0.00 0.01 0.00 0.00 42.46 38.42 2uua s ILE 182 CO 0.14 0.20 0.55 -2.65 0.00 0.00 0.00 174.94 173.19 2uua n PRO 183 N 4.41 0.47 -3.98 2.79 -0.02 -1.26 -4.17 135.00 133.24 2uua n PRO 183 Ca -0.03 0.19 -0.30 0.00 -2.02 0.00 0.00 63.50 61.34 2uua n PRO 183 Cb 0.51 -1.78 -0.16 0.00 -0.02 0.00 0.00 33.50 32.04 2uua n PRO 183 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2uua s VAL 184 N -1.77 1.51 -0.10 -1.45 1.01 -1.26 -2.41 120.40 115.93 2uua s VAL 184 Ca 0.68 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 2uua s VAL 184 Cb -0.41 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 2uua s VAL 184 CO 0.55 0.23 -0.01 -0.63 0.00 0.00 0.00 175.10 175.24 2uua s ILE 185 N 1.47 4.18 -0.16 2.22 1.01 0.30 -0.94 121.20 129.28 2uua s ILE 185 Ca 0.01 -0.29 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 2uua s ILE 185 Cb -0.15 -2.77 0.11 0.00 0.01 0.00 0.00 42.46 39.66 2uua s ILE 185 CO -0.09 0.58 0.91 0.00 0.00 0.00 0.00 174.94 176.34 2uua s ALA 186 N -0.62 -1.89 -0.39 9.38 0.00 -0.65 -0.42 121.76 127.16 2uua s ALA 186 Ca 0.10 1.60 -0.26 0.00 0.00 0.00 0.00 51.96 53.40 2uua s ALA 186 Cb -0.12 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.32 2uua s ALA 186 CO 0.02 -0.31 0.92 -1.17 0.00 0.00 0.00 175.76 175.22 2uua s LEU 187 N -0.80 4.00 0.05 0.00 0.20 0.84 0.63 118.68 123.60 2uua s LEU 187 Ca -0.03 0.46 0.01 0.00 0.69 0.00 0.00 54.13 55.26 2uua s LEU 187 Cb -0.01 -3.24 -0.04 0.00 -0.43 0.00 0.00 46.19 42.47 2uua s LEU 187 CO 0.02 -0.90 0.10 0.00 -0.29 0.00 0.00 176.35 175.28 2uua s ALA 188 N 3.54 3.66 0.49 5.97 0.00 -0.02 -4.20 121.76 131.20 2uua s ALA 188 Ca 0.38 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.47 2uua s ALA 188 Cb -0.11 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.46 2uua s ALA 188 CO 0.21 0.75 0.40 0.34 0.00 0.00 0.00 175.76 177.45 2uua s ASP 189 N -2.20 4.78 0.00 0.00 3.68 -1.26 -0.36 116.67 121.31 2uua s ASP 189 Ca 0.28 -1.04 0.24 0.00 2.13 0.00 0.00 52.55 54.16 2uua s ASP 189 Cb -0.12 -0.00 1.33 0.00 -1.45 0.00 0.00 42.92 42.67 2uua s ASP 189 CO 0.20 -0.92 1.78 0.35 0.13 0.00 0.00 175.17 176.72 2uua n THR 190 N -1.68 0.11 -0.16 1.71 -2.24 -1.26 -2.59 114.28 108.17 2uua n THR 190 Ca 0.01 0.03 0.08 0.00 -2.27 0.00 0.00 64.05 61.90 2uua n THR 190 Cb 0.63 -0.65 0.29 0.00 -2.10 0.00 0.00 70.33 68.50 2uua n THR 190 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2uua n ASP 191 N -1.11 3.85 -4.61 3.42 5.75 -1.26 -1.94 116.55 120.65 2uua n ASP 191 Ca 0.15 -2.28 -0.26 0.00 -0.01 0.00 0.00 54.79 52.39 2uua n ASP 191 Cb 0.12 -0.50 -0.10 0.00 -1.03 0.00 0.00 41.12 39.62 2uua n ASP 191 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2uua s SER 192 N -0.87 3.97 -0.50 -1.12 1.04 -1.07 -4.75 113.70 110.40 2uua s SER 192 Ca 0.42 -1.18 -0.14 0.00 0.48 0.00 0.00 55.95 55.53 2uua s SER 192 Cb 0.26 -0.43 0.11 0.00 0.10 0.00 0.00 66.02 66.06 2uua s SER 192 CO 0.22 -0.32 0.43 -0.62 0.98 0.00 0.00 173.24 173.93 2uua s ASP 193 N -3.70 6.05 0.14 7.02 -1.08 -1.26 -4.24 116.67 119.59 2uua s ASP 193 Ca 0.35 -1.67 -0.31 0.00 -0.52 0.00 0.00 52.55 50.40 2uua s ASP 193 Cb 0.04 -2.15 -0.07 0.00 -1.46 0.00 0.00 42.92 39.28 2uua s ASP 193 CO 0.18 -0.75 1.55 -0.65 0.52 0.00 0.00 175.17 176.03 2uua h PRO 194 N 8.74 -0.31 -1.09 4.34 0.11 -1.94 -2.64 132.00 139.21 2uua h PRO 194 Ca -0.27 0.02 0.31 0.00 0.11 0.00 0.00 66.00 66.17 2uua h PRO 194 Cb 1.10 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 2uua h PRO 194 CO 0.94 -0.21 1.07 -0.25 -0.21 0.00 0.00 178.00 179.35 2uua n ASP 195 N -5.37 0.00 -0.05 -2.05 8.00 -1.26 0.22 116.55 116.04 2uua n ASP 195 Ca -0.02 0.69 0.12 0.00 0.71 0.00 0.00 54.79 56.29 2uua n ASP 195 Cb 0.34 -0.27 0.27 0.00 -0.02 0.00 0.00 41.12 41.44 2uua n ASP 195 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2uua n LEU 196 N -3.11 0.61 -4.54 0.64 4.32 -0.99 -4.76 117.00 109.17 2uua n LEU 196 Ca 0.24 -0.06 -0.41 0.00 -0.02 0.00 0.00 56.01 55.77 2uua n LEU 196 Cb 1.40 -0.22 -0.09 0.00 -1.62 0.00 0.00 43.42 42.89 2uua n LEU 196 CO 0.24 0.14 0.07 -0.69 -1.22 0.00 0.00 177.39 175.93 2uua s VAL 197 N -2.90 5.14 -0.02 4.08 1.01 0.59 -4.85 120.40 123.45 2uua s VAL 197 Ca 0.14 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.96 2uua s VAL 197 Cb 0.18 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.58 2uua s VAL 197 CO 0.67 -0.14 0.82 0.44 0.00 0.00 0.00 175.10 176.88 2uua h ASP 198 N 8.49 -0.54 -3.57 3.32 3.32 -1.53 -3.39 116.42 122.52 2uua h ASP 198 Ca -0.29 -0.02 -0.69 0.00 0.02 0.00 0.00 57.03 56.05 2uua h ASP 198 Cb 1.14 0.14 -0.34 0.00 0.22 0.00 0.00 39.33 40.48 2uua h ASP 198 CO 0.71 -0.12 -0.60 -0.31 -1.72 0.00 0.00 179.24 177.21 2uua s TYR 199 N -3.82 3.53 0.04 4.55 1.51 -0.11 -5.01 117.35 118.04 2uua s TYR 199 Ca -0.10 -2.32 -0.02 0.00 -1.01 0.00 0.00 57.07 53.61 2uua s TYR 199 Cb 0.01 -2.94 -0.04 0.00 -0.11 0.00 0.00 41.96 38.87 2uua s TYR 199 CO 0.33 -0.93 0.23 -1.50 -1.11 0.00 0.00 175.55 172.56 2uua s ILE 200 N 1.15 5.37 -0.68 2.71 2.07 -1.26 -1.63 121.20 128.93 2uua s ILE 200 Ca 0.05 -0.19 0.04 0.00 -1.41 0.00 0.00 60.65 59.14 2uua s ILE 200 Cb -0.22 -3.59 0.17 0.00 0.13 0.00 0.00 42.46 38.95 2uua s ILE 200 CO -0.04 0.23 0.47 -0.63 -1.91 0.00 0.00 174.94 173.06 2uua s ILE 201 N -1.43 3.01 -0.47 2.00 1.01 0.21 -4.36 121.20 121.17 2uua s ILE 201 Ca 0.32 -4.00 -0.27 0.00 0.00 0.00 0.00 60.65 56.70 2uua s ILE 201 Cb -0.13 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 2uua s ILE 201 CO 0.23 -0.97 2.20 -2.16 0.00 0.00 0.00 174.94 174.24 2uua s PRO 202 N -1.16 2.46 0.00 2.79 0.04 -1.26 -0.84 135.00 137.03 2uua s PRO 202 Ca 0.23 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.58 2uua s PRO 202 Cb -0.10 -4.48 0.00 0.00 0.04 0.00 0.00 34.50 29.96 2uua s PRO 202 CO -0.12 -2.88 0.00 0.41 0.04 0.00 0.00 177.00 174.45 2uua n GLY 203 N 5.85 1.61 2.79 0.56 0.00 0.52 -4.60 105.19 111.91 2uua n GLY 203 Ca 0.31 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 2uua n GLY 203 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2uua s ASN 204 N 1.52 1.20 0.44 1.61 3.04 -1.22 -4.54 114.94 116.98 2uua s ASN 204 Ca 0.00 -0.24 0.30 0.00 0.04 0.00 0.00 52.86 52.97 2uua s ASN 204 Cb 0.00 0.57 1.40 0.00 -1.54 0.00 0.00 41.25 41.67 2uua s ASN 204 CO 0.00 -0.33 1.91 -2.24 -3.04 0.00 0.00 177.10 173.40 2uua h ASP 205 N 8.27 0.00 -3.32 -4.21 3.04 -1.80 -3.41 116.42 115.00 2uua h ASP 205 Ca -0.17 0.00 -0.45 0.00 -3.24 0.00 0.00 57.03 53.17 2uua h ASP 205 Cb 1.14 0.00 -0.36 0.00 -1.04 0.00 0.00 39.33 39.07 2uua h ASP 205 CO 0.29 0.00 -0.78 -0.62 -2.04 0.00 0.00 179.24 176.09 2uua s ASP 206 N -4.87 1.53 0.00 4.15 2.15 -1.26 -4.66 116.67 113.71 2uua s ASP 206 Ca 0.01 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 52.82 2uua s ASP 206 Cb 0.09 -0.56 0.00 0.00 -0.30 0.00 0.00 42.92 42.15 2uua s ASP 206 CO 0.42 -0.11 0.00 0.00 -0.17 0.00 0.00 175.17 175.30 2uua n ALA 207 N 4.64 0.00 -0.12 3.66 0.00 -1.26 -4.96 120.51 122.46 2uua n ALA 207 Ca -0.15 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.39 2uua n ALA 207 Cb 0.50 0.00 0.20 0.00 0.00 0.00 0.00 19.45 20.15 2uua n ALA 207 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2uua n ILE 208 N 0.00 -0.16 0.13 0.00 2.08 -1.26 0.88 119.36 121.03 2uua n ILE 208 Ca 0.00 0.76 -0.14 0.00 0.56 0.00 0.00 62.75 63.94 2uua n ILE 208 Cb 0.00 -1.22 -0.08 0.00 -0.75 0.00 0.00 39.64 37.59 2uua n ILE 208 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2uua h ARG 209 N 0.00 -0.26 0.18 0.38 3.08 -1.91 -1.12 114.38 114.73 2uua h ARG 209 Ca 0.30 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 2uua h ARG 209 Cb 0.77 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.88 2uua h ARG 209 CO -0.30 -0.08 -0.09 1.03 -1.07 0.00 0.00 179.97 179.47 2uua h SER 210 N -0.39 -0.20 0.13 7.04 0.87 0.20 0.13 113.55 121.34 2uua h SER 210 Ca -0.03 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.54 2uua h SER 210 Cb 0.30 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 2uua h SER 210 CO 0.05 -0.12 -0.34 0.40 -0.53 0.00 0.00 176.83 176.29 2uua h ILE 211 N -0.26 0.29 0.58 2.23 2.04 -1.49 -2.08 117.51 118.81 2uua h ILE 211 Ca -0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2uua h ILE 211 Cb 0.20 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2uua h ILE 211 CO 0.04 0.00 -0.47 -0.61 0.00 0.00 0.00 178.15 177.11 2uua h GLN 212 N -0.57 -0.99 -0.81 2.37 -0.00 -1.13 0.23 115.11 114.20 2uua h GLN 212 Ca 0.03 0.07 0.08 0.00 -0.00 0.00 0.00 58.65 58.82 2uua h GLN 212 Cb 0.60 0.22 -0.10 0.00 0.00 0.00 0.00 27.48 28.20 2uua h GLN 212 CO -0.19 -0.66 -0.55 1.25 0.00 0.00 0.00 178.83 178.68 2uua h LEU 213 N -1.02 -1.99 0.81 -2.39 6.46 -0.63 0.46 115.31 117.01 2uua h LEU 213 Ca -0.07 0.29 -0.04 0.00 -0.12 0.00 0.00 57.88 57.94 2uua h LEU 213 Cb 0.86 0.86 0.01 0.00 -0.73 0.00 0.00 40.66 41.67 2uua h LEU 213 CO -0.00 -0.26 -0.39 0.40 -0.62 0.00 0.00 178.44 177.57 2uua h ILE 214 N -0.09 0.00 -0.86 4.05 1.08 -1.30 -1.35 117.51 119.04 2uua h ILE 214 Ca 0.13 -0.14 0.18 0.00 -0.39 0.00 0.00 64.86 64.64 2uua h ILE 214 Cb 0.43 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.07 2uua h ILE 214 CO -0.81 0.00 0.41 -0.07 -0.69 0.00 0.00 178.15 176.98 2uua h LEU 215 N -1.22 0.42 0.47 1.44 3.38 -0.28 0.49 115.31 120.01 2uua h LEU 215 Ca -0.11 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2uua h LEU 215 Cb 0.83 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.65 2uua h LEU 215 CO 0.18 0.12 -0.23 0.77 0.09 0.00 0.00 178.44 179.37 2uua h SER 216 N 0.51 -0.53 -1.02 -0.43 4.64 -0.07 -0.02 113.55 116.63 2uua h SER 216 Ca 0.50 0.02 0.27 0.00 -0.47 0.00 0.00 61.79 62.11 2uua h SER 216 Cb 0.82 0.14 -0.12 0.00 -0.31 0.00 0.00 62.40 62.93 2uua h SER 216 CO -0.44 -0.33 0.61 0.03 -0.87 0.00 0.00 176.83 175.84 2uua h ARG 217 N -0.74 0.46 -0.65 4.77 2.47 -0.92 1.28 114.38 121.06 2uua h ARG 217 Ca -0.06 -0.03 0.02 0.00 -1.26 0.00 0.00 59.98 58.65 2uua h ARG 217 Cb 0.48 -0.10 -0.04 0.00 -1.65 0.00 0.00 29.97 28.66 2uua h ARG 217 CO 0.11 0.30 0.41 0.00 0.56 0.00 0.00 179.97 181.35 2uua h ALA 218 N 1.73 0.84 0.00 0.04 0.00 0.21 -1.62 119.26 120.46 2uua h ALA 218 Ca 0.66 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.44 2uua h ALA 218 Cb 1.44 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2uua h ALA 218 CO -0.47 0.18 -0.51 0.28 0.00 0.00 0.00 179.25 178.73 2uua h VAL 219 N 0.81 1.28 0.50 0.00 2.07 0.34 -2.04 116.25 119.21 2uua h VAL 219 Ca 0.25 -1.79 -0.02 0.00 0.82 0.00 0.00 66.70 65.96 2uua h VAL 219 Cb -0.01 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2uua h VAL 219 CO -0.09 0.50 -0.24 0.44 0.02 0.00 0.00 177.57 178.20 2uua h ASP 220 N 0.00 -0.57 -0.79 0.57 3.32 0.21 -0.34 116.42 118.82 2uua h ASP 220 Ca -0.01 0.02 0.23 0.00 0.02 0.00 0.00 57.03 57.29 2uua h ASP 220 Cb 0.95 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 2uua h ASP 220 CO 0.07 -0.39 0.72 0.25 -1.72 0.00 0.00 179.24 178.17 2uua h LEU 221 N -0.70 0.00 0.24 1.55 7.12 -1.33 0.15 115.31 122.35 2uua h LEU 221 Ca -0.07 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.93 2uua h LEU 221 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 2uua h LEU 221 CO 0.11 0.00 -0.12 0.40 -0.13 0.00 0.00 178.44 178.71 2uua h ILE 222 N 0.00 0.63 -0.56 4.05 2.04 -0.72 -3.29 117.51 119.66 2uua h ILE 222 Ca 0.37 -0.92 -0.07 0.00 1.00 0.00 0.00 64.86 65.25 2uua h ILE 222 Cb 1.82 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 2uua h ILE 222 CO -0.00 0.15 0.07 0.16 0.00 0.00 0.00 178.15 178.53 2uua h ILE 223 N -0.91 1.25 0.00 -0.67 -0.00 0.17 -2.60 117.51 114.76 2uua h ILE 223 Ca -0.03 -0.97 0.00 0.00 -0.00 0.00 0.00 64.86 63.86 2uua h ILE 223 Cb 0.50 0.75 0.00 0.00 -0.00 0.00 0.00 36.82 38.07 2uua h ILE 223 CO 0.05 0.35 0.00 1.67 -0.00 0.00 0.00 178.15 180.23 2uua n GLN 224 N -4.23 0.50 -0.00 0.16 7.27 0.39 -1.94 117.38 119.53 2uua n GLN 224 Ca 0.03 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.18 2uua n GLN 224 Cb 0.28 -1.25 -0.09 0.00 2.41 0.00 0.00 30.24 31.59 2uua n GLN 224 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2uua n ALA 225 N 1.13 3.55 -2.84 1.69 0.00 -0.98 -4.57 120.51 118.49 2uua n ALA 225 Ca 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 53.44 52.93 2uua n ALA 225 Cb 0.25 -0.53 0.05 0.00 0.00 0.00 0.00 19.45 19.22 2uua n ALA 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2uua n ARG 226 N -1.53 1.06 0.00 0.00 1.74 -0.82 -4.46 116.66 112.65 2uua n ARG 226 Ca 0.01 -2.55 0.00 0.00 -0.77 0.00 0.00 57.85 54.54 2uua n ARG 226 Cb 0.28 -1.06 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 2uua n ARG 226 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2uua n GLY 227 N 0.07 3.04 1.33 -0.13 0.00 -1.26 -4.76 105.19 103.48 2uua n GLY 227 Ca 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.96 2uua n GLY 227 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uua n GLY 228 N 0.00 0.19 2.38 -0.02 0.00 -1.26 -4.13 105.19 102.35 2uua n GLY 228 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2uua n GLY 228 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2uua n VAL 229 N -1.01 1.32 -3.52 1.61 0.31 -1.26 -4.92 118.33 110.85 2uua n VAL 229 Ca -0.02 -0.33 -0.19 0.00 -0.01 0.00 0.00 64.34 63.79 2uua n VAL 229 Cb 0.08 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.99 2uua n VAL 229 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2uua s VAL 230 N -0.66 3.81 0.00 2.52 1.01 -1.26 -5.07 120.40 120.75 2uua s VAL 230 Ca 0.46 -1.10 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 2uua s VAL 230 Cb -0.66 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2uua s VAL 230 CO 0.39 -0.14 0.00 -0.62 0.00 0.00 0.00 175.10 174.73 2uua n GLU 231 N -1.59 0.51 -1.73 2.72 4.71 -1.26 -5.01 120.64 118.99 2uua n GLU 231 Ca 0.00 -0.01 -0.39 0.00 -0.01 0.00 0.00 57.16 56.76 2uua n GLU 231 Cb 0.59 -0.00 0.04 0.00 -1.01 0.00 0.00 31.44 31.05 2uua n GLU 231 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2uua n PRO 232 N -1.01 1.75 -2.65 3.49 -0.04 -1.26 -4.97 135.00 130.32 2uua n PRO 232 Ca 0.00 0.64 -0.32 0.00 -0.04 0.00 0.00 63.50 63.78 2uua n PRO 232 Cb 0.00 -2.53 -0.04 0.00 -0.04 0.00 0.00 33.50 30.88 2uua n PRO 232 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2uua s SER 233 N -0.82 6.68 0.00 3.54 0.15 -1.26 -4.96 113.70 117.02 2uua s SER 233 Ca 0.69 1.48 0.16 0.00 0.70 0.00 0.00 55.95 58.98 2uua s SER 233 Cb -0.43 -2.46 0.73 0.00 -1.71 0.00 0.00 66.02 62.15 2uua s SER 233 CO 0.51 -0.46 1.51 -0.81 1.20 0.00 0.00 173.24 175.19 2uua n PRO 234 N -1.21 0.06 0.21 5.44 -0.04 -1.26 -3.11 135.00 135.10 2uua n PRO 234 Ca 0.06 0.20 0.08 0.00 -0.04 0.00 0.00 63.50 63.79 2uua n PRO 234 Cb 0.54 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.94 2uua n PRO 234 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2uua h SER 235 N 0.00 0.00 0.00 3.54 4.64 -1.96 -2.40 113.55 117.37 2uua h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2uua h SER 235 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2uua h SER 235 CO 0.00 0.29 0.01 0.22 -0.87 0.00 0.00 176.83 176.47 2uua h TYR 236 N 0.00 0.00 0.01 4.77 -0.00 -1.96 0.58 116.97 120.37 2uua h TYR 236 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.73 58.49 2uua h TYR 236 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.48 2uua h TYR 236 CO 0.00 0.00 -0.97 0.00 -0.00 0.00 0.00 178.16 177.19 2uua h ALA 237 N 1.98 0.32 -0.03 1.82 0.00 -1.68 -3.36 119.26 118.31 2uua h ALA 237 Ca 0.00 -0.72 -0.64 0.00 0.00 0.00 0.00 54.91 53.55 2uua h ALA 237 Cb 0.01 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 17.84 2uua h ALA 237 CO 0.00 0.81 2.27 1.28 0.00 0.00 0.00 179.25 183.61 2uua n LEU 238 N -3.75 4.17 -3.05 0.00 4.77 0.20 -4.44 117.00 114.90 2uua n LEU 238 Ca -0.07 -2.97 -0.17 0.00 -0.03 0.00 0.00 56.01 52.76 2uua n LEU 238 Cb 0.85 -1.18 -0.01 0.00 -2.33 0.00 0.00 43.42 40.75 2uua n LEU 238 CO 0.52 -0.38 -0.09 0.52 -1.33 0.00 0.00 177.39 176.63 2uua n VAL 239 N 6.07 -0.29 0.00 4.08 0.31 -1.26 -4.92 118.33 122.31 2uua n VAL 239 Ca 0.49 -3.41 0.00 0.00 -0.01 0.00 0.00 64.34 61.42 2uua n VAL 239 Cb 0.41 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 2uua n VAL 239 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2uua n GLN 240 N 0.89 0.00 0.00 5.55 3.00 -1.26 -5.15 117.38 120.41 2uua n GLN 240 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.17 2uua n GLN 240 Cb 0.62 -0.23 0.00 0.00 0.00 0.00 0.00 30.24 30.62 2uua n GLN 240 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15