#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uam n HIS 0 N 0.00 0.00 -3.75 0.66 -0.00 -0.95 -5.00 115.22 106.18 1uam n HIS 0 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 1uam n HIS 0 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 29.85 1uam n HIS 0 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1uam s MET 1 N -1.04 0.12 -0.17 -0.41 0.00 -1.13 -4.75 119.30 111.92 1uam s MET 1 Ca 0.00 0.40 -0.02 0.00 0.00 0.00 0.00 55.69 56.06 1uam s MET 1 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 34.83 34.66 1uam s MET 1 CO 0.00 -0.16 -0.07 -0.46 0.00 0.00 0.00 175.02 174.33 1uam s TRP 2 N 1.12 2.92 -0.16 4.11 -0.00 -0.63 -0.74 118.94 125.56 1uam s TRP 2 Ca -0.09 -0.63 0.01 0.00 -0.00 0.00 0.00 56.10 55.39 1uam s TRP 2 Cb -0.11 -1.96 0.02 0.00 -0.00 0.00 0.00 33.47 31.42 1uam s TRP 2 CO -0.06 -0.27 -0.16 0.42 -0.00 0.00 0.00 176.95 176.88 1uam s ILE 3 N 0.73 1.73 -0.06 5.86 1.01 0.17 -1.32 121.20 129.32 1uam s ILE 3 Ca -0.03 -0.75 -0.13 0.00 0.00 0.00 0.00 60.65 59.74 1uam s ILE 3 Cb -0.15 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.66 1uam s ILE 3 CO 0.02 0.47 0.32 -0.83 0.00 0.00 0.00 174.94 174.92 1uam s GLY 4 N 1.42 2.35 -0.04 6.18 0.00 0.15 -1.47 107.32 115.91 1uam s GLY 4 Ca 0.05 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.44 1uam s GLY 4 CO -0.11 0.06 -0.14 0.14 0.00 0.00 0.00 173.10 173.05 1uam s VAL 5 N -0.79 1.20 -0.29 1.40 1.01 0.10 -0.08 120.40 122.95 1uam s VAL 5 Ca 0.20 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 1uam s VAL 5 Cb -0.15 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1uam s VAL 5 CO 0.09 0.35 0.07 -0.63 0.00 0.00 0.00 175.10 174.98 1uam s ILE 6 N 0.15 3.80 -0.12 2.22 -1.09 -0.41 -0.67 121.20 125.07 1uam s ILE 6 Ca -0.05 -0.79 -0.22 0.00 -2.23 0.00 0.00 60.65 57.36 1uam s ILE 6 Cb -0.11 -2.98 0.05 0.00 -1.58 0.00 0.00 42.46 37.84 1uam s ILE 6 CO 0.02 0.06 0.55 -0.55 -1.23 0.00 0.00 174.94 173.79 1uam s SER 7 N 1.46 -0.53 0.00 3.58 0.15 -0.85 -1.42 113.70 116.09 1uam s SER 7 Ca 0.02 0.79 0.30 0.00 0.70 0.00 0.00 55.95 57.76 1uam s SER 7 Cb -0.17 0.79 1.45 0.00 -1.71 0.00 0.00 66.02 66.37 1uam s SER 7 CO 0.02 -0.38 2.02 0.18 1.20 0.00 0.00 173.24 176.28 1uam n LEU 8 N 1.87 0.00 -3.19 3.45 4.77 -1.26 -3.98 117.00 118.66 1uam n LEU 8 Ca -0.17 0.34 -0.23 0.00 -0.03 0.00 0.00 56.01 55.92 1uam n LEU 8 Cb 0.56 -0.34 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 1uam n LEU 8 CO 0.16 -0.00 -0.16 0.49 -1.33 0.00 0.00 177.39 176.54 1uam n PHE 9 N -1.34 0.98 -0.31 -1.77 3.01 -1.26 -4.97 117.46 111.79 1uam n PHE 9 Ca 0.12 -3.80 0.22 0.00 1.01 0.00 0.00 57.45 55.01 1uam n PHE 9 Cb 0.26 -0.42 0.52 0.00 -0.01 0.00 0.00 39.48 39.83 1uam n PHE 9 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1uam h PRO 10 N 3.52 0.38 0.00 -1.08 0.11 -1.96 -1.90 132.00 131.07 1uam h PRO 10 Ca 0.11 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 1uam h PRO 10 Cb 0.83 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.86 1uam h PRO 10 CO 0.57 0.25 -0.02 0.93 -0.21 0.00 0.00 178.00 179.53 1uam h GLU 11 N 0.39 0.00 -0.45 1.05 3.07 -1.95 -2.85 114.58 113.83 1uam h GLU 11 Ca 0.57 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.45 1uam h GLU 11 Cb 1.46 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.34 1uam h GLU 11 CO -0.26 0.02 0.30 0.52 -1.40 0.00 0.00 179.01 178.19 1uam h MET 12 N 0.00 0.51 0.00 2.33 2.86 -1.78 -2.11 114.93 116.75 1uam h MET 12 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1uam h MET 12 Cb 0.40 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1uam h MET 12 CO 0.00 0.34 0.00 1.19 1.06 0.00 0.00 176.91 179.50 1uam n PHE 13 N -4.48 0.01 0.31 -0.22 3.01 -1.07 -1.49 117.46 113.54 1uam n PHE 13 Ca 0.05 0.01 0.15 0.00 1.01 0.00 0.00 57.45 58.66 1uam n PHE 13 Cb 0.13 -0.51 0.67 0.00 -0.01 0.00 0.00 39.48 39.76 1uam n PHE 13 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1uam h LYS 14 N 0.00 0.00 -0.30 -1.08 1.57 -1.58 -1.02 116.57 114.15 1uam h LYS 14 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1uam h LYS 14 Cb 0.13 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1uam h LYS 14 CO 0.00 0.00 0.20 0.00 -0.57 0.00 0.00 179.45 179.08 1uam h ALA 15 N 2.10 1.81 0.00 3.86 0.00 -1.47 -1.55 119.26 124.01 1uam h ALA 15 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1uam h ALA 15 Cb 0.29 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1uam h ALA 15 CO 0.00 0.17 -1.83 0.44 0.00 0.00 0.00 179.25 178.03 1uam n ILE 16 N -4.49 0.44 0.79 0.00 -5.35 -0.72 -4.27 119.36 105.75 1uam n ILE 16 Ca 0.02 -0.47 0.13 0.00 -0.27 0.00 0.00 62.75 62.16 1uam n ILE 16 Cb 0.08 -0.20 0.37 0.00 -1.74 0.00 0.00 39.64 38.15 1uam n ILE 16 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1uam n THR 17 N -2.26 0.25 -0.23 7.28 -2.24 -0.47 -1.80 114.28 114.82 1uam n THR 17 Ca -0.12 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1uam n THR 17 Cb 0.66 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1uam n THR 17 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uam n GLU 18 N -1.86 0.83 -4.03 -0.78 1.02 -0.60 -4.42 120.64 110.81 1uam n GLU 18 Ca 0.05 -0.85 -0.11 0.00 -0.02 0.00 0.00 57.16 56.23 1uam n GLU 18 Cb 0.39 -0.89 -0.11 0.00 -0.02 0.00 0.00 31.44 30.81 1uam n GLU 18 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1uam s PHE 19 N -0.40 0.50 0.00 -0.32 0.40 -1.26 -4.87 117.98 112.03 1uam s PHE 19 Ca 0.00 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1uam s PHE 19 Cb 0.00 -0.31 0.00 0.00 0.51 0.00 0.00 43.02 43.22 1uam s PHE 19 CO 0.00 -0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.20 1uam n GLY 20 N 1.48 0.42 0.31 4.36 0.00 -1.26 -1.06 105.19 109.45 1uam n GLY 20 Ca -0.23 -0.86 0.07 0.00 0.00 0.00 0.00 46.02 45.00 1uam n GLY 20 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1uam h VAL 21 N 0.00 1.03 -0.35 1.61 -1.51 -1.94 -0.95 116.25 114.14 1uam h VAL 21 Ca 0.00 -0.14 -0.15 0.00 -1.23 0.00 0.00 66.70 65.17 1uam h VAL 21 Cb 0.00 0.58 -0.00 0.00 -2.13 0.00 0.00 31.29 29.73 1uam h VAL 21 CO 0.00 0.08 -0.38 0.71 -1.23 0.00 0.00 177.57 176.75 1uam h THR 22 N 0.42 1.28 -0.88 7.19 1.35 -1.79 0.75 112.91 121.22 1uam h THR 22 Ca 0.16 -1.56 -0.02 0.00 -0.55 0.00 0.00 66.41 64.44 1uam h THR 22 Cb 0.11 1.46 -0.04 0.00 -1.73 0.00 0.00 68.15 67.95 1uam h THR 22 CO -0.04 0.51 0.47 1.23 -0.25 0.00 0.00 175.52 177.45 1uam h GLY 23 N 0.68 1.33 0.95 5.82 0.00 -0.28 -0.64 103.07 110.93 1uam h GLY 23 Ca 0.05 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 1uam h GLY 23 CO 0.09 0.59 0.12 -0.09 0.00 0.00 0.00 176.54 177.26 1uam h ARG 24 N 1.24 0.30 -0.72 4.80 2.43 -0.93 0.16 114.38 121.66 1uam h ARG 24 Ca 0.31 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1uam h ARG 24 Cb 0.05 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 1uam h ARG 24 CO -0.05 0.27 0.43 0.00 -1.51 0.00 0.00 179.97 179.12 1uam h ALA 25 N 1.01 1.41 -0.01 2.80 0.00 -0.40 -0.49 119.26 123.57 1uam h ALA 25 Ca 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1uam h ALA 25 Cb 0.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1uam h ALA 25 CO -0.01 0.51 -0.03 0.28 0.00 0.00 0.00 179.25 180.00 1uam h VAL 26 N 0.99 1.48 -0.56 0.00 2.07 -0.77 0.17 116.25 119.64 1uam h VAL 26 Ca 0.26 -1.47 0.13 0.00 0.82 0.00 0.00 66.70 66.44 1uam h VAL 26 Cb -0.04 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.15 1uam h VAL 26 CO -0.05 0.39 0.39 0.11 0.02 0.00 0.00 177.57 178.43 1uam h LYS 27 N -0.55 0.17 -0.65 1.57 1.57 -0.42 -0.16 116.57 118.10 1uam h LYS 27 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1uam h LYS 27 Cb 0.65 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1uam h LYS 27 CO 0.01 0.11 0.00 0.72 -0.57 0.00 0.00 179.45 179.72 1uam n HIS 28 N -4.43 1.23 -2.19 -1.35 8.25 -0.22 -4.95 115.22 111.56 1uam n HIS 28 Ca 0.10 -0.51 -0.19 0.00 -0.26 0.00 0.00 57.72 56.85 1uam n HIS 28 Cb 0.51 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.43 1uam n HIS 28 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1uam n ASN 29 N 1.11 -5.55 0.06 0.41 3.02 -0.07 -4.86 115.26 109.37 1uam n ASN 29 Ca 0.23 0.09 -0.01 0.00 -0.03 0.00 0.00 54.58 54.86 1uam n ASN 29 Cb 0.75 -4.62 -0.07 0.00 -0.61 0.00 0.00 39.78 35.23 1uam n ASN 29 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1uam h LEU 30 N 0.00 0.00 -7.80 3.41 4.07 -0.89 -3.12 115.31 110.98 1uam h LEU 30 Ca -0.45 0.00 -0.42 0.00 0.08 0.00 0.00 57.88 57.09 1uam h LEU 30 Cb 1.33 0.00 -0.34 0.00 1.08 0.00 0.00 40.66 42.73 1uam h LEU 30 CO 0.56 0.66 -0.78 -0.22 -1.08 0.00 0.00 178.44 177.58 1uam s LEU 31 N -6.10 1.42 -0.13 1.67 2.96 -0.99 -2.23 118.68 115.28 1uam s LEU 31 Ca -0.01 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 1uam s LEU 31 Cb 0.08 -0.51 -0.01 0.00 0.50 0.00 0.00 46.19 46.25 1uam s LEU 31 CO 0.80 -0.03 -0.14 -0.75 -1.32 0.00 0.00 176.35 174.90 1uam s LYS 32 N 0.81 3.33 -0.21 1.98 2.36 0.08 -4.13 119.74 123.97 1uam s LYS 32 Ca -0.12 -0.71 0.00 0.00 -2.55 0.00 0.00 55.97 52.59 1uam s LYS 32 Cb -0.14 -2.61 0.05 0.00 -1.05 0.00 0.00 37.83 34.08 1uam s LYS 32 CO 0.01 0.18 -0.06 0.08 1.55 0.00 0.00 175.35 177.11 1uam s VAL 33 N 0.43 1.35 -0.05 4.02 1.01 -1.26 0.45 120.40 126.35 1uam s VAL 33 Ca -0.11 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 60.96 1uam s VAL 33 Cb -0.16 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1uam s VAL 33 CO 0.05 0.01 -0.18 -1.61 0.00 0.00 0.00 175.10 173.37 1uam s GLU 34 N 1.50 2.49 0.18 2.72 2.02 -0.54 -5.01 118.70 122.05 1uam s GLU 34 Ca -0.03 -0.77 0.11 0.00 0.02 0.00 0.00 54.97 54.30 1uam s GLU 34 Cb -0.17 -2.30 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 1uam s GLU 34 CO -0.07 0.55 -0.23 0.00 0.02 0.00 0.00 175.26 175.53 1uam s TRP 36 N -1.52 0.62 -0.25 0.00 0.51 0.15 -4.93 118.94 113.52 1uam s TRP 36 Ca 0.20 -0.14 -0.11 0.00 -2.12 0.00 0.00 56.10 53.92 1uam s TRP 36 Cb -0.09 -0.68 -0.05 0.00 -0.81 0.00 0.00 33.47 31.85 1uam s TRP 36 CO 0.10 -0.25 0.21 1.21 -0.51 0.00 0.00 176.95 177.71 1uam s ASN 37 N 1.45 6.13 0.50 2.95 3.84 -1.26 -2.01 114.94 126.54 1uam s ASN 37 Ca -0.03 0.12 0.22 0.00 0.21 0.00 0.00 52.86 53.38 1uam s ASN 37 Cb -0.13 -2.13 1.29 0.00 -0.55 0.00 0.00 41.25 39.73 1uam s ASN 37 CO -0.03 0.00 1.98 -0.65 -2.79 0.00 0.00 177.10 175.61 1uam h PRO 38 N 7.80 0.13 -0.54 0.43 0.11 -1.83 -0.81 132.00 137.29 1uam h PRO 38 Ca -0.36 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.82 1uam h PRO 38 Cb 1.17 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1uam h PRO 38 CO 0.63 0.08 0.36 -0.09 -0.21 0.00 0.00 178.00 178.77 1uam h ARG 39 N 0.13 0.37 0.00 1.05 2.43 -1.90 0.14 114.38 116.60 1uam h ARG 39 Ca 0.28 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1uam h ARG 39 Cb 0.92 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 1uam h ARG 39 CO -0.04 0.24 0.00 -0.25 -1.51 0.00 0.00 179.97 178.42 1uam n ASP 40 N -4.47 0.00 -0.81 -3.80 10.43 -0.31 -2.62 116.55 114.97 1uam n ASP 40 Ca 0.08 0.24 0.07 0.00 2.57 0.00 0.00 54.79 57.76 1uam n ASP 40 Cb 0.33 -0.39 0.18 0.00 1.84 0.00 0.00 41.12 43.09 1uam n ASP 40 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1uam n PHE 41 N -1.39 0.54 -2.50 1.24 3.01 0.50 -5.00 117.46 113.86 1uam n PHE 41 Ca 0.07 -0.44 -0.33 0.00 1.01 0.00 0.00 57.45 57.76 1uam n PHE 41 Cb 0.18 -0.02 -0.04 0.00 -0.01 0.00 0.00 39.48 39.59 1uam n PHE 41 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1uam s THR 42 N -1.03 4.22 -0.15 4.37 -4.23 -1.08 -4.66 115.64 113.09 1uam s THR 42 Ca 0.29 1.22 0.08 0.00 -1.18 0.00 0.00 61.69 62.10 1uam s THR 42 Cb 0.15 -3.57 -0.11 0.00 1.34 0.00 0.00 72.50 70.31 1uam s THR 42 CO 0.20 -0.46 0.23 0.49 -0.54 0.00 0.00 174.62 174.55 1uam n PHE 43 N -1.24 0.00 -2.74 3.99 3.01 -1.26 -4.97 117.46 114.25 1uam n PHE 43 Ca 0.08 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.22 1uam n PHE 43 Cb 0.54 -0.11 -0.04 0.00 -0.01 0.00 0.00 39.48 39.85 1uam n PHE 43 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 1uam s ASP 44 N -2.45 6.63 0.48 4.37 -4.77 -1.26 -4.95 116.67 114.72 1uam s ASP 44 Ca -0.01 1.36 0.28 0.00 -3.30 0.00 0.00 52.55 50.87 1uam s ASP 44 Cb 0.05 -2.41 1.34 0.00 -1.09 0.00 0.00 42.92 40.81 1uam s ASP 44 CO 0.32 -0.43 1.82 0.50 0.70 0.00 0.00 175.17 178.08 1uam h LYS 45 N 1.35 0.16 -0.63 2.11 3.64 -2.03 -1.30 116.57 119.88 1uam h LYS 45 Ca -0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1uam h LYS 45 Cb 1.18 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1uam h LYS 45 CO 0.63 0.11 0.00 0.72 -2.27 0.00 0.00 179.45 178.64 1uam n HIS 46 N -4.38 1.45 -4.01 1.91 8.25 -1.26 -4.98 115.22 112.20 1uam n HIS 46 Ca 0.23 -0.62 -0.39 0.00 -0.26 0.00 0.00 57.72 56.68 1uam n HIS 46 Cb 1.00 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.86 1uam n HIS 46 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1uam n LYS 47 N 1.05 -0.92 -2.30 -0.41 5.02 -0.49 -4.85 118.16 115.26 1uam n LYS 47 Ca 0.25 0.20 -0.43 0.00 -2.02 0.00 0.00 58.31 56.32 1uam n LYS 47 Cb 0.89 -3.28 -0.02 0.00 -0.02 0.00 0.00 35.03 32.59 1uam n LYS 47 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1uam s THR 48 N -3.70 4.04 -1.04 -0.18 2.01 -1.26 -4.89 115.64 110.62 1uam s THR 48 Ca 0.36 1.24 0.11 0.00 0.31 0.00 0.00 61.69 63.71 1uam s THR 48 Cb -0.18 -3.87 0.28 0.00 0.01 0.00 0.00 72.50 68.74 1uam s THR 48 CO 0.94 -0.18 1.19 1.33 -0.69 0.00 0.00 174.62 177.21 1uam n VAL 49 N 5.63 0.83 -4.49 3.82 0.24 -1.26 -4.87 118.33 118.22 1uam n VAL 49 Ca 0.15 -0.91 -0.23 0.00 -2.04 0.00 0.00 64.34 61.31 1uam n VAL 49 Cb 0.45 0.63 -0.11 0.00 -1.47 0.00 0.00 33.84 33.34 1uam n VAL 49 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1uam s ASP 50 N -0.99 2.87 0.16 -1.34 -4.77 -1.26 0.37 116.67 111.70 1uam s ASP 50 Ca 0.22 -1.34 -0.22 0.00 -3.30 0.00 0.00 52.55 47.91 1uam s ASP 50 Cb 0.12 -0.19 0.07 0.00 -1.09 0.00 0.00 42.92 41.83 1uam s ASP 50 CO 0.16 -0.51 0.58 -0.62 0.70 0.00 0.00 175.17 175.48 1uam s ASP 51 N -3.54 -0.54 0.15 2.11 -1.08 0.17 -4.32 116.67 109.63 1uam s ASP 51 Ca 0.35 -0.03 -0.30 0.00 -0.52 0.00 0.00 52.55 52.05 1uam s ASP 51 Cb 0.08 0.59 -0.07 0.00 -1.46 0.00 0.00 42.92 42.06 1uam s ASP 51 CO 0.15 -0.96 1.04 -0.13 0.52 0.00 0.00 175.17 175.80 1uam s ARG 52 N -3.75 4.65 0.28 4.34 3.00 -1.26 -0.41 118.95 125.79 1uam s ARG 52 Ca 0.01 1.60 -0.29 0.00 0.00 0.00 0.00 55.73 57.05 1uam s ARG 52 Cb -0.01 -3.32 -0.09 0.00 0.00 0.00 0.00 34.95 31.53 1uam s ARG 52 CO -0.13 0.15 1.02 -1.25 0.00 0.00 0.00 175.30 175.09 1uam s PRO 53 N -0.25 4.69 0.42 3.54 0.04 -1.26 -4.88 135.00 137.31 1uam s PRO 53 Ca 0.48 1.61 -0.26 0.00 0.04 0.00 0.00 61.00 62.87 1uam s PRO 53 Cb -0.27 -3.14 -0.09 0.00 0.04 0.00 0.00 34.50 31.04 1uam s PRO 53 CO 0.33 0.32 1.42 0.71 0.04 0.00 0.00 177.00 179.82 1uam s TYR 54 N -1.25 2.56 0.00 0.56 2.02 -1.26 -0.46 117.35 119.52 1uam s TYR 54 Ca 0.44 1.26 0.00 0.00 -0.37 0.00 0.00 57.07 58.41 1uam s TYR 54 Cb -0.28 -3.90 0.00 0.00 -0.40 0.00 0.00 41.96 37.38 1uam s TYR 54 CO 0.35 -2.79 0.00 0.41 -1.57 0.00 0.00 175.55 171.94 1uam n GLY 55 N 0.57 0.75 7.00 0.71 0.00 -1.26 -4.90 105.19 108.05 1uam n GLY 55 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1uam n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uam n GLY 56 N -2.42 2.38 0.00 -0.02 0.00 0.39 -5.01 105.19 100.52 1uam n GLY 56 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1uam n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uam n GLY 57 N 0.00 -3.22 3.84 -0.02 0.00 -1.26 -4.67 105.19 99.86 1uam n GLY 57 Ca 0.00 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.55 1uam n GLY 57 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uam s PRO 58 N -0.84 4.08 0.00 1.61 0.04 -1.26 -4.94 135.00 133.69 1uam s PRO 58 Ca 0.00 0.93 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1uam s PRO 58 Cb 0.00 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.30 1uam s PRO 58 CO 0.00 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.40 1uam n GLY 59 N -0.87 -0.46 3.40 0.56 0.00 -1.26 -5.03 105.19 101.53 1uam n GLY 59 Ca 0.06 -1.73 -0.20 0.00 0.00 0.00 0.00 46.02 44.15 1uam n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1uam s MET 60 N -1.94 1.47 0.29 1.61 -1.94 -1.26 -4.62 119.30 112.91 1uam s MET 60 Ca 0.00 -1.72 0.10 0.00 -1.71 0.00 0.00 55.69 52.35 1uam s MET 60 Cb 0.00 -1.07 -0.05 0.00 2.01 0.00 0.00 34.83 35.72 1uam s MET 60 CO 0.00 0.05 -0.02 -0.51 -0.01 0.00 0.00 175.02 174.53 1uam s LEU 61 N -3.40 3.06 0.42 -0.03 1.43 0.45 -1.60 118.68 119.02 1uam s LEU 61 Ca 0.28 -0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 52.35 1uam s LEU 61 Cb 0.03 -1.55 -0.08 0.00 0.03 0.00 0.00 46.19 44.62 1uam s LEU 61 CO 0.10 -0.06 1.20 -0.04 0.23 0.00 0.00 176.35 177.78 1uam s MET 62 N -3.67 3.92 0.12 1.70 -1.94 -0.82 0.46 119.30 119.07 1uam s MET 62 Ca 0.32 1.88 -0.31 0.00 -1.71 0.00 0.00 55.69 55.88 1uam s MET 62 Cb -0.05 -2.59 -0.08 0.00 2.01 0.00 0.00 34.83 34.12 1uam s MET 62 CO 0.19 -0.45 1.35 1.41 -0.01 0.00 0.00 175.02 177.51 1uam s MET 63 N -2.43 4.35 0.08 2.03 1.75 0.16 -4.52 119.30 120.72 1uam s MET 63 Ca 0.59 2.02 -0.36 0.00 -1.25 0.00 0.00 55.69 56.69 1uam s MET 63 Cb -0.31 -3.26 -0.18 0.00 2.84 0.00 0.00 34.83 33.91 1uam s MET 63 CO 0.39 -0.38 1.57 0.28 -0.65 0.00 0.00 175.02 176.23 1uam h VAL 64 N 4.24 0.03 -0.43 10.11 2.07 -1.91 -3.02 116.25 127.33 1uam h VAL 64 Ca -0.42 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.18 1uam h VAL 64 Cb 1.21 0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 1uam h VAL 64 CO 0.84 0.00 -0.08 -0.61 0.02 0.00 0.00 177.57 177.74 1uam h GLN 65 N -1.12 0.02 -0.63 1.57 -0.00 -1.98 0.28 115.11 113.25 1uam h GLN 65 Ca -0.09 -0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.54 1uam h GLN 65 Cb 0.92 -0.01 -0.03 0.00 0.00 0.00 0.00 27.48 28.37 1uam h GLN 65 CO 0.04 0.02 0.31 -1.35 0.00 0.00 0.00 178.83 177.85 1uam h PRO 66 N 0.02 0.90 -0.43 -2.39 0.11 -1.83 -1.07 132.00 127.31 1uam h PRO 66 Ca 0.21 -0.13 -0.09 0.00 0.11 0.00 0.00 66.00 66.10 1uam h PRO 66 Cb 0.32 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1uam h PRO 66 CO -0.43 0.72 -0.06 1.25 -0.21 0.00 0.00 178.00 179.27 1uam h LEU 67 N 0.87 0.81 -0.53 2.35 5.85 -1.30 -2.24 115.31 121.11 1uam h LEU 67 Ca 0.22 -0.34 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 1uam h LEU 67 Cb 0.11 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 1uam h LEU 67 CO -0.03 0.96 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.84 1uam h ARG 68 N 0.64 1.01 -0.57 1.25 2.43 -0.34 -1.85 114.38 116.95 1uam h ARG 68 Ca 0.12 -0.38 -0.08 0.00 -0.81 0.00 0.00 59.98 58.82 1uam h ARG 68 Cb 0.58 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 1uam h ARG 68 CO 0.03 1.06 0.02 -0.44 -1.51 0.00 0.00 179.97 179.14 1uam h ASP 69 N 0.89 0.95 -0.53 -3.80 3.32 -1.14 -1.18 116.42 114.92 1uam h ASP 69 Ca 0.14 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 1uam h ASP 69 Cb 0.67 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1uam h ASP 69 CO 0.05 0.99 0.14 0.00 -1.72 0.00 0.00 179.24 178.70 1uam h ALA 70 N 1.11 0.70 -0.61 3.45 0.00 -1.23 -0.91 119.26 121.77 1uam h ALA 70 Ca 0.17 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1uam h ALA 70 Cb 0.50 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1uam h ALA 70 CO 0.02 0.39 0.26 0.82 0.00 0.00 0.00 179.25 180.75 1uam h ILE 71 N 0.75 1.22 -0.58 0.00 2.04 -1.08 -0.49 117.51 119.36 1uam h ILE 71 Ca 0.17 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.27 1uam h ILE 71 Cb 0.32 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 1uam h ILE 71 CO 0.00 0.27 0.04 0.45 0.00 0.00 0.00 178.15 178.91 1uam h HIS 72 N 0.84 1.08 -0.58 1.37 3.86 -1.05 0.29 115.15 120.95 1uam h HIS 72 Ca 0.20 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 1uam h HIS 72 Cb 0.17 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.33 1uam h HIS 72 CO 0.01 0.95 0.23 1.15 0.86 0.00 0.00 177.93 181.13 1uam h THR 73 N 0.90 1.23 -0.53 2.45 2.02 -0.94 0.01 112.91 118.04 1uam h THR 73 Ca 0.17 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1uam h THR 73 Cb 0.49 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1uam h THR 73 CO 0.02 0.27 0.28 0.00 0.37 0.00 0.00 175.52 176.46 1uam h ALA 74 N 1.08 0.68 -0.25 6.16 0.00 -0.75 -2.17 119.26 124.01 1uam h ALA 74 Ca 0.19 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1uam h ALA 74 Cb 0.20 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1uam h ALA 74 CO -0.02 0.21 -0.06 0.87 0.00 0.00 0.00 179.25 180.26 1uam h LYS 75 N 0.71 0.39 -0.69 0.00 1.57 -0.61 -0.89 116.57 117.04 1uam h LYS 75 Ca 0.18 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1uam h LYS 75 Cb 0.07 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1uam h LYS 75 CO -0.03 0.46 0.16 0.00 -0.57 0.00 0.00 179.45 179.48 1uam h ALA 76 N 1.57 0.91 0.00 3.86 0.00 -0.40 -2.83 119.26 122.38 1uam h ALA 76 Ca 0.08 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.54 1uam h ALA 76 Cb 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1uam h ALA 76 CO 0.02 0.64 -0.87 0.00 0.00 0.00 0.00 179.25 179.04 1uam h ALA 77 N 1.08 0.52 0.00 0.00 0.00 -1.02 -3.16 119.26 116.67 1uam h ALA 77 Ca 0.22 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1uam h ALA 77 Cb 0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1uam h ALA 77 CO 0.00 0.91 -0.07 0.00 0.00 0.00 0.00 179.25 180.09 1uam h ALA 78 N 0.96 1.21 -0.43 0.00 0.00 -0.97 -3.48 119.26 116.55 1uam h ALA 78 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1uam h ALA 78 Cb 1.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1uam h ALA 78 CO 0.13 0.09 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1uam n GLY 79 N -0.71 -0.42 3.90 0.00 0.00 -1.09 -4.73 105.19 102.14 1uam n GLY 79 Ca -0.02 -1.09 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 1uam n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uam s GLU 80 N 0.00 3.64 0.00 1.61 8.01 -1.26 -4.44 118.70 126.26 1uam s GLU 80 Ca 0.00 0.03 0.00 0.00 0.01 0.00 0.00 54.97 55.01 1uam s GLU 80 Cb 0.00 -2.63 0.00 0.00 -4.31 0.00 0.00 34.13 27.19 1uam s GLU 80 CO 0.00 0.20 0.00 0.41 0.01 0.00 0.00 175.26 175.88 1uam n GLY 81 N -0.97 0.52 3.73 -1.39 0.00 -1.26 -5.05 105.19 100.77 1uam n GLY 81 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 1uam n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uam s ALA 82 N -2.10 3.27 -0.24 4.61 0.00 -1.26 -4.55 121.76 121.49 1uam s ALA 82 Ca 0.00 0.42 -0.19 0.00 0.00 0.00 0.00 51.96 52.20 1uam s ALA 82 Cb 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 1uam s ALA 82 CO 0.00 -0.06 0.55 0.21 0.00 0.00 0.00 175.76 176.45 1uam s LYS 83 N 0.36 4.12 -0.29 0.00 2.20 -0.93 -4.92 119.74 120.28 1uam s LYS 83 Ca 0.45 0.41 -0.21 0.00 -0.36 0.00 0.00 55.97 56.26 1uam s LYS 83 Cb -0.21 -3.62 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 1uam s LYS 83 CO 0.26 -0.30 0.66 0.08 -0.36 0.00 0.00 175.35 175.69 1uam s VAL 84 N 2.13 4.92 -0.09 4.02 1.01 -1.26 -1.73 120.40 129.39 1uam s VAL 84 Ca 0.23 0.99 0.03 0.00 0.00 0.00 0.00 61.98 63.24 1uam s VAL 84 Cb -0.16 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 1uam s VAL 84 CO 0.09 -0.12 -0.19 -0.63 0.00 0.00 0.00 175.10 174.24 1uam s ILE 85 N 2.66 2.53 -0.22 2.22 1.01 0.12 -0.87 121.20 128.64 1uam s ILE 85 Ca 0.27 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.97 1uam s ILE 85 Cb -0.15 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1uam s ILE 85 CO 0.11 0.55 0.08 -0.47 0.00 0.00 0.00 174.94 175.22 1uam s TYR 86 N 0.06 3.17 -0.17 3.97 6.04 -0.67 -0.09 117.35 129.66 1uam s TYR 86 Ca -0.08 -0.14 -0.29 0.00 0.04 0.00 0.00 57.07 56.60 1uam s TYR 86 Cb -0.15 -2.18 -0.01 0.00 -1.04 0.00 0.00 41.96 38.58 1uam s TYR 86 CO 0.05 -0.11 1.13 -0.51 -1.54 0.00 0.00 175.55 174.57 1uam s LEU 87 N 1.08 4.17 -0.17 6.97 2.01 -0.97 -1.56 118.68 130.21 1uam s LEU 87 Ca 0.05 1.56 -0.21 0.00 0.01 0.00 0.00 54.13 55.54 1uam s LEU 87 Cb -0.14 -3.54 0.05 0.00 0.01 0.00 0.00 46.19 42.57 1uam s LEU 87 CO 0.03 -0.66 0.55 -0.55 1.01 0.00 0.00 176.35 176.74 1uam s SER 88 N 1.47 -0.55 0.00 2.29 0.15 0.95 -4.57 113.70 113.43 1uam s SER 88 Ca 0.50 0.97 0.16 0.00 0.70 0.00 0.00 55.95 58.27 1uam s SER 88 Cb -0.19 0.98 0.83 0.00 -1.71 0.00 0.00 66.02 65.93 1uam s SER 88 CO 0.12 -0.28 1.42 -0.81 1.20 0.00 0.00 173.24 174.90 1uam n PRO 89 N 2.37 0.30 -0.12 5.44 -0.04 -1.26 -1.73 135.00 139.96 1uam n PRO 89 Ca -0.15 0.10 0.09 0.00 -0.04 0.00 0.00 63.50 63.51 1uam n PRO 89 Cb 0.56 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.67 1uam n PRO 89 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1uam n GLN 90 N -1.21 2.07 -0.58 0.54 6.02 -1.26 -4.90 117.38 118.07 1uam n GLN 90 Ca 0.09 -1.94 -0.02 0.00 -0.01 0.00 0.00 57.00 55.12 1uam n GLN 90 Cb 0.11 -1.39 0.01 0.00 1.02 0.00 0.00 30.24 29.98 1uam n GLN 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1uam n GLY 91 N 1.11 0.25 3.68 1.08 0.00 -0.70 -4.98 105.19 105.63 1uam n GLY 91 Ca 0.14 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1uam n GLY 91 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1uam s ARG 92 N -2.72 4.19 0.11 1.61 3.52 0.30 -4.20 118.95 121.76 1uam s ARG 92 Ca 0.04 2.34 -0.31 0.00 -0.13 0.00 0.00 55.73 57.67 1uam s ARG 92 Cb -0.00 -3.73 -0.09 0.00 -1.56 0.00 0.00 34.95 29.57 1uam s ARG 92 CO 0.03 -0.78 1.58 0.21 -0.81 0.00 0.00 175.30 175.52 1uam s LYS 93 N 3.09 4.22 0.43 5.12 2.20 -1.26 -1.12 119.74 132.42 1uam s LYS 93 Ca 0.75 2.30 -0.24 0.00 -0.36 0.00 0.00 55.97 58.43 1uam s LYS 93 Cb -0.39 -3.36 -0.08 0.00 -1.51 0.00 0.00 37.83 32.50 1uam s LYS 93 CO 0.33 -0.64 1.16 -1.17 -0.36 0.00 0.00 175.35 174.67 1uam s LEU 94 N 1.78 4.10 0.18 5.43 2.96 0.60 -4.90 118.68 128.82 1uam s LEU 94 Ca 0.71 2.31 -0.22 0.00 -0.22 0.00 0.00 54.13 56.71 1uam s LEU 94 Cb -0.41 -4.14 0.06 0.00 0.50 0.00 0.00 46.19 42.20 1uam s LEU 94 CO 0.31 -0.79 0.61 1.51 -1.32 0.00 0.00 176.35 176.67 1uam s ASP 95 N -1.26 -0.49 0.32 3.68 3.84 -1.26 -4.90 116.67 116.60 1uam s ASP 95 Ca 0.60 -0.13 0.09 0.00 -0.00 0.00 0.00 52.55 53.11 1uam s ASP 95 Cb -0.29 0.61 0.94 0.00 -1.38 0.00 0.00 42.92 42.80 1uam s ASP 95 CO 0.36 -1.03 1.62 -0.61 -0.00 0.00 0.00 175.17 175.51 1uam h GLN 96 N 2.02 0.13 -0.42 2.11 5.75 -1.96 0.50 115.11 123.24 1uam h GLN 96 Ca -0.31 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.18 1uam h GLN 96 Cb 1.30 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.80 1uam h GLN 96 CO 0.36 0.09 0.25 0.78 -2.65 0.00 0.00 178.83 177.66 1uam h GLY 97 N 0.14 0.60 1.40 2.39 0.00 -1.97 -0.50 103.07 105.14 1uam h GLY 97 Ca 0.66 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.69 1uam h GLY 97 CO -0.73 0.24 0.10 -1.33 0.00 0.00 0.00 176.54 174.82 1uam h GLY 98 N 0.55 0.80 0.97 4.60 0.00 -0.54 -1.57 103.07 107.88 1uam h GLY 98 Ca 0.15 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 1uam h GLY 98 CO -0.03 0.43 0.11 -2.08 0.00 0.00 0.00 176.54 174.97 1uam h VAL 99 N 0.72 1.07 -0.27 4.60 2.07 0.22 0.73 116.25 125.39 1uam h VAL 99 Ca 0.16 -0.18 -0.07 0.00 0.82 0.00 0.00 66.70 67.43 1uam h VAL 99 Cb 0.30 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1uam h VAL 99 CO 0.00 0.07 -0.12 0.71 0.02 0.00 0.00 177.57 178.25 1uam h THR 100 N 0.21 1.22 0.01 2.57 1.35 -0.84 0.86 112.91 118.29 1uam h THR 100 Ca 0.06 -0.98 -0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1uam h THR 100 Cb 0.02 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 1uam h THR 100 CO -0.01 0.32 -0.01 -0.08 -0.25 0.00 0.00 175.52 175.49 1uam h GLU 101 N 0.42 -0.02 -0.09 4.72 4.81 -0.89 -2.70 114.58 120.84 1uam h GLU 101 Ca 0.08 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1uam h GLU 101 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1uam h GLU 101 CO 0.03 0.22 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.37 1uam h LEU 102 N -0.25 0.12 -1.08 1.64 3.38 -0.46 -2.30 115.31 116.36 1uam h LEU 102 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1uam h LEU 102 Cb 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1uam h LEU 102 CO 0.00 0.23 0.00 0.00 0.09 0.00 0.00 178.44 178.76 1uam h ALA 103 N 1.79 1.00 0.00 1.53 0.00 -0.50 -2.68 119.26 120.40 1uam h ALA 103 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1uam h ALA 103 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1uam h ALA 103 CO 0.01 0.00 -0.43 1.96 0.00 0.00 0.00 179.25 180.79 1uam h GLN 104 N 0.00 0.00 -6.94 0.00 4.20 -1.32 -3.45 115.11 107.60 1uam h GLN 104 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 1uam h GLN 104 Cb 0.24 0.00 0.07 0.00 0.30 0.00 0.00 27.48 28.09 1uam h GLN 104 CO 0.00 0.43 0.56 -0.80 -0.67 0.00 0.00 178.83 178.35 1uam s ASN 105 N -6.46 6.44 -0.01 1.46 0.01 -1.01 -4.93 114.94 110.44 1uam s ASN 105 Ca 0.01 2.51 0.17 0.00 -0.71 0.00 0.00 52.86 54.84 1uam s ASN 105 Cb 0.10 -2.63 -0.19 0.00 0.41 0.00 0.00 41.25 38.94 1uam s ASN 105 CO 0.71 -0.74 0.63 0.00 -1.51 0.00 0.00 177.10 176.18 1uam n GLN 106 N 0.16 0.64 -4.35 -0.60 1.13 -1.26 -4.90 117.38 108.21 1uam n GLN 106 Ca 0.04 0.16 -0.21 0.00 -1.94 0.00 0.00 57.00 55.05 1uam n GLN 106 Cb 0.45 -1.73 -0.16 0.00 0.11 0.00 0.00 30.24 28.91 1uam n GLN 106 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1uam s LYS 107 N -2.84 1.01 0.06 -1.09 1.02 -1.26 -1.60 119.74 115.04 1uam s LYS 107 Ca -0.05 -0.26 0.03 0.00 0.02 0.00 0.00 55.97 55.71 1uam s LYS 107 Cb 0.08 -0.94 -0.03 0.00 -0.52 0.00 0.00 37.83 36.43 1uam s LYS 107 CO 0.83 0.04 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.70 1uam s LEU 108 N 0.46 2.31 -0.08 3.17 1.43 -0.43 -2.18 118.68 123.35 1uam s LEU 108 Ca -0.07 -0.65 -0.00 0.00 -1.03 0.00 0.00 54.13 52.38 1uam s LEU 108 Cb -0.11 -0.24 0.02 0.00 0.03 0.00 0.00 46.19 45.90 1uam s LEU 108 CO 0.01 -0.22 -0.05 -0.63 0.23 0.00 0.00 176.35 175.69 1uam s ILE 109 N -1.75 0.75 -0.21 -0.59 1.01 -0.71 0.29 121.20 120.00 1uam s ILE 109 Ca -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.43 1uam s ILE 109 Cb -0.07 -0.80 -0.00 0.00 0.01 0.00 0.00 42.46 41.59 1uam s ILE 109 CO 0.00 0.31 -0.07 -0.76 0.00 0.00 0.00 174.94 174.42 1uam s LEU 110 N 1.57 2.75 -0.29 2.97 1.43 0.89 0.12 118.68 128.11 1uam s LEU 110 Ca 0.01 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 1uam s LEU 110 Cb -0.13 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 1uam s LEU 110 CO -0.05 -0.01 0.38 -0.69 0.23 0.00 0.00 176.35 176.21 1uam s VAL 111 N 1.40 5.16 -0.25 -1.59 1.01 0.87 -1.29 120.40 125.72 1uam s VAL 111 Ca 0.05 0.44 -0.10 0.00 0.00 0.00 0.00 61.98 62.37 1uam s VAL 111 Cb -0.14 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 1uam s VAL 111 CO -0.05 0.08 0.15 0.00 0.00 0.00 0.00 175.10 175.29 1uam s GLY 113 N 1.19 1.68 0.22 0.00 0.00 -1.26 -4.71 107.32 104.44 1uam s GLY 113 Ca 0.07 -1.14 -0.06 0.00 0.00 0.00 0.00 44.72 43.59 1uam s GLY 113 CO 0.06 -0.90 0.27 0.50 0.00 0.00 0.00 173.10 173.02 1uam s ARG 114 N -4.70 1.33 5.77 2.90 1.81 -1.26 -1.39 118.95 123.40 1uam s ARG 114 Ca 0.53 -1.46 0.00 0.00 -1.72 0.00 0.00 55.73 53.08 1uam s ARG 114 Cb -0.10 0.35 0.00 0.00 -0.45 0.00 0.00 34.95 34.75 1uam s ARG 114 CO 0.39 -0.49 0.00 0.66 -0.68 0.00 0.00 175.30 175.18 1uam n TYR 115 N -0.31 0.00 0.54 -0.53 0.53 -1.26 -1.77 117.16 114.36 1uam n TYR 115 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 57.01 1uam n TYR 115 Cb 0.64 0.04 0.43 0.00 -1.03 0.00 0.00 39.34 39.43 1uam n TYR 115 CO 0.00 0.00 0.00 -1.91 -1.02 0.00 0.00 176.86 173.93 1uam n GLU 116 N 14.00 0.25 0.00 -0.72 4.07 -0.63 -4.97 120.64 132.64 1uam n GLU 116 Ca 0.00 0.29 0.00 0.00 -0.06 0.00 0.00 57.16 57.39 1uam n GLU 116 Cb 0.00 -1.84 0.00 0.00 -0.06 0.00 0.00 31.44 29.54 1uam n GLU 116 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1uam n GLY 117 N 0.86 0.45 3.27 8.31 0.00 -0.73 -5.04 105.19 112.32 1uam n GLY 117 Ca 0.04 -1.80 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 1uam n GLY 117 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1uam s ILE 118 N -1.91 1.35 0.18 -0.61 -4.36 -1.26 -1.95 121.20 112.65 1uam s ILE 118 Ca 0.00 -2.04 -0.33 0.00 -0.26 0.00 0.00 60.65 58.02 1uam s ILE 118 Cb 0.00 -1.85 -0.14 0.00 1.25 0.00 0.00 42.46 41.72 1uam s ILE 118 CO 0.00 -0.65 1.45 -0.67 0.24 0.00 0.00 174.94 175.31 1uam n ASP 119 N -0.12 2.65 0.27 4.36 2.03 -1.26 -4.87 116.55 119.60 1uam n ASP 119 Ca -0.10 1.12 0.11 0.00 0.52 0.00 0.00 54.79 56.43 1uam n ASP 119 Cb 0.60 -1.38 0.74 0.00 -0.72 0.00 0.00 41.12 40.36 1uam n ASP 119 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1uam h GLU 120 N 4.87 0.00 -0.15 -0.67 4.57 -2.00 -1.74 114.58 119.45 1uam h GLU 120 Ca -0.45 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 57.60 1uam h GLU 120 Cb 1.28 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 1uam h GLU 120 CO 0.81 0.03 -0.46 0.00 -1.18 0.00 0.00 179.01 178.21 1uam h ARG 121 N 0.00 0.38 -0.63 1.92 3.08 -1.99 -2.30 114.38 114.84 1uam h ARG 121 Ca -0.00 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 1uam h ARG 121 Cb 0.06 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1uam h ARG 121 CO 0.00 0.76 0.34 -0.07 -1.07 0.00 0.00 179.97 179.93 1uam h LEU 122 N 0.30 0.79 -0.82 3.04 3.38 -1.68 -0.51 115.31 119.81 1uam h LEU 122 Ca 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1uam h LEU 122 Cb 0.93 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1uam h LEU 122 CO 0.08 0.66 0.52 0.40 0.09 0.00 0.00 178.44 180.19 1uam h ILE 123 N 0.85 1.22 0.00 1.22 2.04 -1.39 0.51 117.51 121.97 1uam h ILE 123 Ca 0.22 -0.45 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 1uam h ILE 123 Cb 0.05 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 1uam h ILE 123 CO -0.03 0.22 -0.40 1.56 0.00 0.00 0.00 178.15 179.50 1uam h GLN 124 N 1.12 0.00 0.00 2.37 4.20 -0.91 -2.59 115.11 119.30 1uam h GLN 124 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1uam h GLN 124 Cb -0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.70 1uam h GLN 124 CO -0.06 0.40 -1.28 0.25 -0.67 0.00 0.00 178.83 177.47 1uam n THR 125 N -3.60 0.00 0.00 -0.54 -2.24 -0.24 -4.70 114.28 102.96 1uam n THR 125 Ca -0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 1uam n THR 125 Cb 0.51 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 1uam n THR 125 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uam n GLU 126 N -1.74 3.10 -4.10 -0.78 -0.58 0.18 -5.06 120.64 111.66 1uam n GLU 126 Ca -0.00 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.38 1uam n GLU 126 Cb 0.35 -0.72 -0.07 0.00 -0.57 0.00 0.00 31.44 30.42 1uam n GLU 126 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1uam s ILE 127 N -1.38 4.95 -0.17 -3.67 -1.09 -0.98 -4.83 121.20 114.03 1uam s ILE 127 Ca 0.00 -0.06 -0.03 0.00 -2.23 0.00 0.00 60.65 58.33 1uam s ILE 127 Cb 0.00 -3.15 -0.23 0.00 -1.58 0.00 0.00 42.46 37.50 1uam s ILE 127 CO 0.00 0.57 0.15 0.47 -1.23 0.00 0.00 174.94 174.90 1uam n ASP 128 N 1.89 2.06 -3.78 3.58 8.00 -0.05 -4.82 116.55 123.42 1uam n ASP 128 Ca -0.18 0.08 -0.12 0.00 0.71 0.00 0.00 54.79 55.28 1uam n ASP 128 Cb 0.54 -0.69 -0.08 0.00 -0.02 0.00 0.00 41.12 40.87 1uam n ASP 128 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1uam s GLU 129 N -2.54 0.68 -0.10 -1.24 2.02 -1.10 -5.04 118.70 111.37 1uam s GLU 129 Ca -0.27 -0.33 -0.00 0.00 0.02 0.00 0.00 54.97 54.39 1uam s GLU 129 Cb 0.07 0.29 -0.03 0.00 0.10 0.00 0.00 34.13 34.57 1uam s GLU 129 CO 0.71 -0.19 -0.07 -1.21 0.02 0.00 0.00 175.26 174.51 1uam s GLU 130 N -1.70 3.10 0.01 1.61 2.02 -1.26 -1.66 118.70 120.80 1uam s GLU 130 Ca -0.11 -0.57 0.03 0.00 0.02 0.00 0.00 54.97 54.34 1uam s GLU 130 Cb -0.04 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 31.50 1uam s GLU 130 CO 0.02 0.47 -0.10 -1.58 0.02 0.00 0.00 175.26 174.09 1uam s TRP 131 N -0.29 0.87 0.10 1.61 0.52 -0.60 -0.54 118.94 120.61 1uam s TRP 131 Ca 0.04 -0.22 0.10 0.00 0.02 0.00 0.00 56.10 56.04 1uam s TRP 131 Cb -0.13 -0.55 -0.04 0.00 -1.15 0.00 0.00 33.47 31.61 1uam s TRP 131 CO 0.02 -0.01 -0.26 0.45 0.02 0.00 0.00 176.95 177.17 1uam s SER 132 N -0.49 3.31 0.00 2.95 0.15 -0.28 -0.03 113.70 119.31 1uam s SER 132 Ca 0.02 -0.68 0.25 0.00 0.70 0.00 0.00 55.95 56.24 1uam s SER 132 Cb -0.05 -0.27 0.48 0.00 -1.71 0.00 0.00 66.02 64.48 1uam s SER 132 CO -0.00 0.21 1.41 2.30 1.20 0.00 0.00 173.24 178.36 1uam n ILE 133 N 1.18 0.00 0.00 6.45 -5.35 -1.26 -0.29 119.36 120.09 1uam n ILE 133 Ca -0.17 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1uam n ILE 133 Cb 0.53 1.06 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 1uam n ILE 133 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uam n GLY 134 N 1.30 2.44 2.71 3.28 0.00 -1.26 -4.71 105.19 108.95 1uam n GLY 134 Ca 0.15 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 1uam n GLY 134 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1uam n ASP 135 N 0.00 4.82 -3.45 1.61 8.00 -1.26 -4.81 116.55 121.46 1uam n ASP 135 Ca 0.00 -2.89 -0.12 0.00 0.71 0.00 0.00 54.79 52.48 1uam n ASP 135 Cb 0.00 -1.59 -0.03 0.00 -0.02 0.00 0.00 41.12 39.48 1uam n ASP 135 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1uam s TYR 136 N 2.21 -0.52 -0.15 1.24 -0.85 -1.26 -5.16 117.35 112.86 1uam s TYR 136 Ca 0.48 0.37 -0.03 0.00 -0.52 0.00 0.00 57.07 57.37 1uam s TYR 136 Cb 0.13 0.51 -0.02 0.00 0.38 0.00 0.00 41.96 42.97 1uam s TYR 136 CO -0.06 -0.81 -0.06 0.08 -1.52 0.00 0.00 175.55 173.18 1uam s VAL 137 N -3.49 3.65 0.43 -3.49 1.01 -1.26 -4.85 120.40 112.40 1uam s VAL 137 Ca -0.00 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1uam s VAL 137 Cb -0.01 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1uam s VAL 137 CO -0.11 0.50 0.32 -0.76 0.00 0.00 0.00 175.10 175.06 1uam s LEU 138 N 0.41 3.26 0.48 3.92 1.43 -1.26 -5.04 118.68 121.87 1uam s LEU 138 Ca -0.06 -0.88 0.29 0.00 -1.03 0.00 0.00 54.13 52.45 1uam s LEU 138 Cb -0.15 -1.81 0.93 0.00 0.03 0.00 0.00 46.19 45.20 1uam s LEU 138 CO 0.03 -0.66 1.82 0.71 0.23 0.00 0.00 176.35 178.48 1uam h THR 139 N 1.12 0.00 -2.72 5.49 1.35 -1.96 -3.47 112.91 112.71 1uam h THR 139 Ca -0.41 -0.68 0.09 0.00 -0.55 0.00 0.00 66.41 64.86 1uam h THR 139 Cb 1.27 1.66 -0.04 0.00 -1.73 0.00 0.00 68.15 69.31 1uam h THR 139 CO 0.61 0.00 0.39 -0.83 -0.25 0.00 0.00 175.52 175.44 1uam s GLY 140 N -4.13 0.05 0.00 5.82 0.00 -1.26 -4.13 107.32 103.67 1uam s GLY 140 Ca 0.04 -0.33 0.28 0.00 0.00 0.00 0.00 44.72 44.71 1uam s GLY 140 CO 0.59 0.44 1.77 0.61 0.00 0.00 0.00 173.10 176.50 1uam n GLY 141 N -0.54 -0.74 0.32 0.20 0.00 -0.49 -4.36 105.19 99.58 1uam n GLY 141 Ca -0.06 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.48 1uam n GLY 141 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1uam h GLU 142 N 0.93 -0.68 -0.26 1.61 3.07 -1.92 0.18 114.58 117.51 1uam h GLU 142 Ca 0.00 0.05 0.01 0.00 -0.50 0.00 0.00 59.36 58.91 1uam h GLU 142 Cb 0.41 0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 1uam h GLU 142 CO 0.00 -0.45 0.16 -0.07 -1.40 0.00 0.00 179.01 177.25 1uam h LEU 143 N -0.70 0.27 -1.18 1.33 3.38 -2.00 0.17 115.31 116.58 1uam h LEU 143 Ca -0.05 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1uam h LEU 143 Cb 0.58 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 1uam h LEU 143 CO 0.05 0.19 0.56 -0.65 0.09 0.00 0.00 178.44 178.68 1uam h PRO 144 N 0.33 1.06 -0.54 1.13 0.11 -1.77 0.20 132.00 132.52 1uam h PRO 144 Ca 0.10 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.10 1uam h PRO 144 Cb -0.02 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 30.83 1uam h PRO 144 CO -0.04 0.70 0.15 0.00 -0.21 0.00 0.00 178.00 178.61 1uam h ALA 145 N 1.49 0.72 -0.15 -0.75 0.00 -0.07 -0.63 119.26 119.86 1uam h ALA 145 Ca 0.33 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1uam h ALA 145 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1uam h ALA 145 CO -0.09 0.40 -0.39 0.52 0.00 0.00 0.00 179.25 179.70 1uam h MET 146 N 0.76 0.33 -0.48 0.00 2.86 -0.14 -0.78 114.93 117.48 1uam h MET 146 Ca 0.17 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1uam h MET 146 Cb 0.32 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1uam h MET 146 CO -0.00 0.67 0.18 1.15 1.06 0.00 0.00 176.91 179.97 1uam h THR 147 N 0.28 1.22 -0.30 2.22 2.02 -0.24 0.14 112.91 118.25 1uam h THR 147 Ca 0.03 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 1uam h THR 147 Cb 0.81 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1uam h THR 147 CO 0.06 0.25 0.07 0.25 0.37 0.00 0.00 175.52 176.52 1uam h LEU 148 N 0.64 0.46 -0.07 2.58 6.46 -0.77 -1.77 115.31 122.84 1uam h LEU 148 Ca 0.16 -0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 57.68 1uam h LEU 148 Cb 0.22 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 40.02 1uam h LEU 148 CO -0.01 0.58 0.04 0.40 -0.62 0.00 0.00 178.44 178.83 1uam h ILE 149 N 0.32 1.06 -0.72 4.05 2.04 -0.94 -1.94 117.51 121.37 1uam h ILE 149 Ca 0.09 -0.17 0.06 0.00 1.00 0.00 0.00 64.86 65.84 1uam h ILE 149 Cb 0.30 1.05 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 1uam h ILE 149 CO 0.00 0.05 0.42 -0.78 0.00 0.00 0.00 178.15 177.85 1uam h ASP 150 N 0.04 0.64 -0.25 1.72 1.82 -0.92 0.23 116.42 119.70 1uam h ASP 150 Ca 0.02 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.68 1uam h ASP 150 Cb 0.05 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 39.94 1uam h ASP 150 CO -0.00 0.42 0.13 0.00 -1.61 0.00 0.00 179.24 178.17 1uam h ALA 151 N 1.36 0.32 0.00 -0.78 0.00 -1.07 -2.89 119.26 116.21 1uam h ALA 151 Ca 0.32 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1uam h ALA 151 Cb 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1uam h ALA 151 CO -0.17 -0.13 -0.12 -0.39 0.00 0.00 0.00 179.25 178.43 1uam h VAL 152 N 0.29 0.25 -0.03 0.00 -1.51 -1.08 -3.15 116.25 111.01 1uam h VAL 152 Ca 0.09 -1.06 -0.08 0.00 -1.23 0.00 0.00 66.70 64.41 1uam h VAL 152 Cb 0.09 1.87 -0.01 0.00 -2.13 0.00 0.00 31.29 31.11 1uam h VAL 152 CO -0.01 0.12 -0.37 0.00 -1.23 0.00 0.00 177.57 176.08 1uam h ALA 153 N 1.88 1.33 0.00 5.19 0.00 -0.74 -2.37 119.26 124.54 1uam h ALA 153 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1uam h ALA 153 Cb 0.86 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1uam h ALA 153 CO 0.02 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1uam h ARG 154 N 0.05 0.00 0.00 0.00 3.08 -1.49 -1.93 114.38 114.09 1uam h ARG 154 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 1uam h ARG 154 Cb 0.68 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1uam h ARG 154 CO 0.05 0.00 -1.57 1.19 -1.07 0.00 0.00 179.97 178.57 1uam n PHE 155 N -2.48 0.61 -1.82 3.04 3.72 -0.89 -4.74 117.46 114.90 1uam n PHE 155 Ca -0.01 0.19 -0.42 0.00 -0.05 0.00 0.00 57.45 57.16 1uam n PHE 155 Cb 0.07 -0.90 -0.03 0.00 -0.94 0.00 0.00 39.48 37.69 1uam n PHE 155 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1uam s ILE 156 N -3.14 2.33 0.38 4.37 1.01 -0.73 -4.92 121.20 120.50 1uam s ILE 156 Ca -0.04 0.21 -0.28 0.00 0.00 0.00 0.00 60.65 60.54 1uam s ILE 156 Cb 0.10 -3.14 -0.10 0.00 0.01 0.00 0.00 42.46 39.33 1uam s ILE 156 CO 0.83 0.02 1.42 -2.84 0.00 0.00 0.00 174.94 174.37 1uam s PRO 157 N 1.29 4.11 0.00 2.79 0.02 -1.26 -2.45 135.00 139.50 1uam s PRO 157 Ca 0.73 2.43 0.00 0.00 0.02 0.00 0.00 61.00 64.18 1uam s PRO 157 Cb -0.47 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.11 1uam s PRO 157 CO 0.32 -0.47 0.00 0.41 -0.33 0.00 0.00 177.00 176.93 1uam n GLY 158 N 0.58 1.46 0.07 0.52 0.00 -1.26 -4.93 105.19 101.62 1uam n GLY 158 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1uam n GLY 158 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1uam h VAL 159 N 0.00 1.45 -3.48 1.61 2.07 -1.79 -3.46 116.25 112.65 1uam h VAL 159 Ca 0.00 -1.68 -0.53 0.00 0.82 0.00 0.00 66.70 65.31 1uam h VAL 159 Cb 0.00 2.54 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 1uam h VAL 159 CO 0.00 0.42 -0.00 -0.76 0.02 0.00 0.00 177.57 177.24 1uam s LEU 160 N -8.72 4.26 0.00 2.57 2.01 -1.26 -4.88 118.68 112.66 1uam s LEU 160 Ca -0.16 1.19 0.00 0.00 0.01 0.00 0.00 54.13 55.16 1uam s LEU 160 Cb -0.01 -3.57 0.00 0.00 0.01 0.00 0.00 46.19 42.63 1uam s LEU 160 CO 0.63 0.00 0.00 0.61 1.01 0.00 0.00 176.35 178.60 1uam n GLY 161 N 0.43 4.56 0.00 -3.19 0.00 -1.26 -5.01 105.19 100.71 1uam n GLY 161 Ca -0.02 -1.76 0.12 0.00 0.00 0.00 0.00 46.02 44.36 1uam n GLY 161 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uam n LYS 162 N 0.00 0.25 -1.46 1.61 5.02 -1.26 -5.07 118.16 117.26 1uam n LYS 162 Ca 0.00 0.07 -0.34 0.00 -2.02 0.00 0.00 58.31 56.01 1uam n LYS 162 Cb 0.00 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.57 1uam n LYS 162 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1uam n GLN 163 N -1.34 2.60 0.00 1.97 6.02 -1.26 -5.29 117.38 120.08 1uam n GLN 163 Ca 0.10 -3.13 0.00 0.00 -0.01 0.00 0.00 57.00 53.96 1uam n GLN 163 Cb 0.22 -2.21 0.00 0.00 1.02 0.00 0.00 30.24 29.27 1uam n GLN 163 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uam n ALA 166 N -0.60 0.00 1.02 -1.58 0.00 -1.26 -5.24 120.51 112.85 1uam n ALA 166 Ca 0.57 0.00 0.11 0.00 0.00 0.00 0.00 53.44 54.11 1uam n ALA 166 Cb 0.53 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1uam n ALA 166 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1uam n GLU 167 N 0.00 0.35 -0.00 0.00 1.02 -1.26 -4.07 120.64 116.68 1uam n GLU 167 Ca 0.00 -0.28 0.10 0.00 -0.02 0.00 0.00 57.16 56.96 1uam n GLU 167 Cb 0.00 -1.49 -0.14 0.00 -0.02 0.00 0.00 31.44 29.79 1uam n GLU 167 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1uam n GLU 168 N -1.08 0.41 -1.30 3.49 -0.58 -1.26 -4.68 120.64 115.64 1uam n GLU 168 Ca 0.06 -0.09 -0.32 0.00 -0.42 0.00 0.00 57.16 56.39 1uam n GLU 168 Cb 0.37 -1.49 0.10 0.00 -0.57 0.00 0.00 31.44 29.85 1uam n GLU 168 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1uam s ASP 169 N -3.65 4.18 0.25 1.62 -0.00 -1.26 -4.57 116.67 113.24 1uam s ASP 169 Ca 0.00 2.11 -0.28 0.00 -0.00 0.00 0.00 52.55 54.39 1uam s ASP 169 Cb 0.15 -2.56 -0.16 0.00 -0.00 0.00 0.00 42.92 40.35 1uam s ASP 169 CO 0.86 -2.26 0.70 -1.20 -0.00 0.00 0.00 175.17 173.28 1uam n SER 170 N -3.19 -0.27 0.00 0.27 7.64 -1.26 -1.49 113.62 115.32 1uam n SER 170 Ca 0.11 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.13 1uam n SER 170 Cb 0.52 -1.09 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 1uam n SER 170 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1uam n PHE 171 N 0.04 0.00 -0.04 1.43 3.01 0.13 -4.84 117.46 117.18 1uam n PHE 171 Ca 0.14 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.52 1uam n PHE 171 Cb 0.28 -0.37 -0.02 0.00 -0.01 0.00 0.00 39.48 39.36 1uam n PHE 171 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1uam h ALA 172 N 0.00 -0.19 -0.43 4.37 0.00 -1.44 -1.32 119.26 120.25 1uam h ALA 172 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1uam h ALA 172 Cb 0.00 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1uam h ALA 172 CO 0.00 -0.70 0.00 -0.40 0.00 0.00 0.00 179.25 178.15 1uam n ASP 173 N -5.38 4.18 0.00 0.00 5.75 -1.26 -4.91 116.55 114.93 1uam n ASP 173 Ca -0.01 -2.62 0.00 0.00 -0.01 0.00 0.00 54.79 52.15 1uam n ASP 173 Cb 0.30 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 1uam n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uam n GLY 174 N 0.34 1.30 3.74 6.12 0.00 -0.50 -5.04 105.19 111.15 1uam n GLY 174 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1uam n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uam s LEU 175 N 0.00 3.55 0.74 0.99 1.43 -1.26 -4.61 118.68 119.52 1uam s LEU 175 Ca 0.00 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.68 1uam s LEU 175 Cb 0.00 -2.15 0.03 0.00 0.03 0.00 0.00 46.19 44.10 1uam s LEU 175 CO 0.00 0.05 1.08 -0.76 0.23 0.00 0.00 176.35 176.95 1uam s LEU 176 N -3.25 3.09 0.71 1.79 1.43 -1.26 0.17 118.68 121.36 1uam s LEU 176 Ca 0.30 1.75 -0.11 0.00 -1.03 0.00 0.00 54.13 55.04 1uam s LEU 176 Cb -0.09 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.63 1uam s LEU 176 CO 0.21 -1.78 1.07 -0.62 0.23 0.00 0.00 176.35 175.46 1uam s ASP 177 N -3.52 5.35 0.64 2.29 2.15 -1.26 -4.58 116.67 117.74 1uam s ASP 177 Ca 0.60 1.37 -0.04 0.00 0.43 0.00 0.00 52.55 54.91 1uam s ASP 177 Cb -0.16 -2.23 0.04 0.00 -0.30 0.00 0.00 42.92 40.28 1uam s ASP 177 CO 0.55 -1.43 0.93 0.00 -0.17 0.00 0.00 175.17 175.05 1uam s PRO 179 N -5.07 2.52 0.02 0.00 0.02 -1.26 -5.01 135.00 126.22 1uam s PRO 179 Ca 0.58 0.95 0.01 0.00 0.02 0.00 0.00 61.00 62.56 1uam s PRO 179 Cb -0.11 -1.94 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 1uam s PRO 179 CO 0.43 -1.39 -0.04 -1.01 -0.33 0.00 0.00 177.00 174.65 1uam s HIS 180 N -3.02 0.37 0.13 6.54 3.76 -1.26 -5.06 115.29 116.75 1uam s HIS 180 Ca 0.60 -0.42 0.05 0.00 -0.15 0.00 0.00 55.06 55.13 1uam s HIS 180 Cb -0.15 -0.24 -0.04 0.00 1.11 0.00 0.00 32.58 33.26 1uam s HIS 180 CO 0.55 -0.12 -0.11 0.71 -0.85 0.00 0.00 174.74 174.92 1uam s TYR 181 N -1.15 1.27 0.16 1.40 2.02 -1.26 -5.16 117.35 114.63 1uam s TYR 181 Ca -0.11 -0.67 -0.03 0.00 -0.37 0.00 0.00 57.07 55.89 1uam s TYR 181 Cb -0.08 -0.66 0.01 0.00 -0.40 0.00 0.00 41.96 40.83 1uam s TYR 181 CO -0.00 0.09 0.26 -2.37 -1.57 0.00 0.00 175.55 171.95 1uam n THR 182 N 0.16 0.00 -1.73 -0.71 5.66 -1.26 -5.15 114.28 111.25 1uam n THR 182 Ca -0.13 -0.68 -0.38 0.00 -3.05 0.00 0.00 64.05 59.82 1uam n THR 182 Cb 0.59 0.47 0.06 0.00 -1.55 0.00 0.00 70.33 69.90 1uam n THR 182 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1uam n ARG 183 N -0.25 1.29 -2.06 1.09 1.74 -1.26 -4.63 116.66 112.57 1uam n ARG 183 Ca -0.01 0.49 -0.28 0.00 -0.77 0.00 0.00 57.85 57.29 1uam n ARG 183 Cb 0.26 -2.54 0.11 0.00 -1.02 0.00 0.00 32.46 29.27 1uam n ARG 183 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1uam s PRO 184 N -3.20 1.72 0.24 5.56 0.04 -1.26 -5.07 135.00 133.03 1uam s PRO 184 Ca 0.79 -0.23 -0.06 0.00 0.04 0.00 0.00 61.00 61.55 1uam s PRO 184 Cb -0.39 -2.03 0.26 0.00 0.04 0.00 0.00 34.50 32.37 1uam s PRO 184 CO 0.43 -1.65 1.85 0.93 0.04 0.00 0.00 177.00 178.60 1uam h GLU 185 N -1.00 1.18 -5.20 4.56 5.08 -1.94 -3.40 114.58 113.85 1uam h GLU 185 Ca -0.44 -0.15 -0.66 0.00 -1.00 0.00 0.00 59.36 57.10 1uam h GLU 185 Cb 1.30 -0.22 -0.33 0.00 0.50 0.00 0.00 28.75 29.99 1uam h GLU 185 CO 0.56 0.88 -0.87 0.08 -1.00 0.00 0.00 179.01 178.66 1uam s VAL 186 N -5.72 1.96 -0.19 3.13 1.01 -1.26 -3.43 120.40 115.90 1uam s VAL 186 Ca -0.12 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 1uam s VAL 186 Cb 0.17 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.88 1uam s VAL 186 CO 0.82 0.54 -0.04 -0.22 0.00 0.00 0.00 175.10 176.20 1uam s LEU 187 N 0.56 1.86 -1.46 3.92 2.96 0.11 -4.77 118.68 121.87 1uam s LEU 187 Ca -0.14 -0.87 -0.12 0.00 -0.22 0.00 0.00 54.13 52.78 1uam s LEU 187 Cb -0.17 -0.94 0.05 0.00 0.50 0.00 0.00 46.19 45.63 1uam s LEU 187 CO 0.04 -0.23 1.05 -0.62 -1.32 0.00 0.00 176.35 175.28 1uam n GLU 188 N 4.84 -6.49 -0.85 1.98 -0.58 -1.26 -0.66 120.64 117.62 1uam n GLU 188 Ca -0.11 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 1uam n GLU 188 Cb 0.46 -5.66 0.00 0.00 -0.57 0.00 0.00 31.44 25.68 1uam n GLU 188 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uam n GLY 189 N -1.81 1.26 3.75 0.62 0.00 -1.26 -5.01 105.19 102.74 1uam n GLY 189 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1uam n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uam s LEU 190 N 0.00 4.11 0.40 0.99 1.43 0.17 -5.09 118.68 120.68 1uam s LEU 190 Ca 0.00 0.27 0.08 0.00 -1.03 0.00 0.00 54.13 53.44 1uam s LEU 190 Cb 0.00 -2.02 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 1uam s LEU 190 CO 0.00 0.28 0.48 0.42 0.23 0.00 0.00 176.35 177.76 1uam s THR 191 N -0.24 3.15 0.06 5.49 -4.23 -1.26 0.10 115.64 118.71 1uam s THR 191 Ca 0.10 -1.11 -0.20 0.00 -1.18 0.00 0.00 61.69 59.30 1uam s THR 191 Cb -0.12 -3.09 -0.06 0.00 1.34 0.00 0.00 72.50 70.57 1uam s THR 191 CO 0.01 -0.04 0.59 -0.69 -0.54 0.00 0.00 174.62 173.95 1uam s VAL 192 N -2.35 4.75 -0.08 2.29 1.01 -1.22 -4.98 120.40 119.82 1uam s VAL 192 Ca 0.50 1.25 -0.37 0.00 0.00 0.00 0.00 61.98 63.37 1uam s VAL 192 Cb -0.08 -3.92 -0.15 0.00 0.00 0.00 0.00 36.38 32.23 1uam s VAL 192 CO 0.31 0.52 1.63 -2.65 0.00 0.00 0.00 175.10 174.92 1uam n PRO 193 N 1.93 1.46 -0.33 2.72 -0.02 -1.26 -4.80 135.00 134.70 1uam n PRO 193 Ca -0.09 0.53 0.24 0.00 -2.02 0.00 0.00 63.50 62.16 1uam n PRO 193 Cb 0.51 -2.25 0.47 0.00 -0.02 0.00 0.00 33.50 32.21 1uam n PRO 193 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1uam h PRO 194 N 6.65 0.31 -0.53 0.52 0.11 -2.00 -0.02 132.00 137.04 1uam h PRO 194 Ca -0.47 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.70 1uam h PRO 194 Cb 1.31 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 1uam h PRO 194 CO 0.90 0.20 0.35 -0.24 -0.21 0.00 0.00 178.00 179.00 1uam h VAL 195 N 0.32 0.92 0.00 3.15 3.04 -2.00 0.88 116.25 122.56 1uam h VAL 195 Ca 0.73 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 66.29 1uam h VAL 195 Cb 1.67 0.52 0.00 0.00 -2.01 0.00 0.00 31.29 31.46 1uam h VAL 195 CO -0.61 0.07 0.00 0.18 -1.01 0.00 0.00 177.57 176.20 1uam n LEU 196 N -4.47 0.16 -0.00 3.16 4.77 -0.02 -2.47 117.00 118.12 1uam n LEU 196 Ca 0.08 0.53 0.09 0.00 -0.03 0.00 0.00 56.01 56.68 1uam n LEU 196 Cb 0.32 -0.50 -0.12 0.00 -2.33 0.00 0.00 43.42 40.79 1uam n LEU 196 CO 0.34 -0.22 -0.43 0.23 -1.33 0.00 0.00 177.39 175.98 1uam n MET 197 N -1.67 0.81 0.23 3.23 2.81 0.21 -4.48 117.12 118.26 1uam n MET 197 Ca 0.04 -0.10 0.10 0.00 -1.81 0.00 0.00 57.70 55.94 1uam n MET 197 Cb 0.25 -1.39 0.54 0.00 -0.71 0.00 0.00 33.22 31.90 1uam n MET 197 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1uam h SER 198 N 0.00 0.00 -0.17 7.83 4.64 -0.98 -3.47 113.55 121.40 1uam h SER 198 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1uam h SER 198 Cb 0.66 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.72 1uam h SER 198 CO 0.00 0.22 -0.07 0.61 -0.87 0.00 0.00 176.83 176.72 1uam n GLY 199 N -0.19 0.65 3.45 -0.77 0.00 -1.25 -4.96 105.19 102.12 1uam n GLY 199 Ca -0.01 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 45.05 1uam n GLY 199 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1uam s HIS 200 N -2.04 3.07 0.24 1.61 3.76 -1.26 -4.92 115.29 115.75 1uam s HIS 200 Ca 0.00 -1.32 -0.13 0.00 -0.15 0.00 0.00 55.06 53.45 1uam s HIS 200 Cb 0.00 -4.30 0.32 0.00 1.11 0.00 0.00 32.58 29.71 1uam s HIS 200 CO 0.00 -1.51 1.57 1.25 -0.85 0.00 0.00 174.74 175.20 1uam h HIS 201 N 8.91 -0.72 -0.59 1.40 2.76 -1.95 0.10 115.15 125.06 1uam h HIS 201 Ca 0.13 0.09 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 1uam h HIS 201 Cb 1.03 0.45 -0.02 0.00 1.55 0.00 0.00 27.41 30.42 1uam h HIS 201 CO 1.16 -0.39 0.00 1.49 -1.30 0.00 0.00 177.93 178.89 1uam h GLU 202 N -0.02 1.04 -0.64 5.26 4.57 -1.99 -1.13 114.58 121.67 1uam h GLU 202 Ca 0.38 -0.33 -0.07 0.00 -1.18 0.00 0.00 59.36 58.16 1uam h GLU 202 Cb 0.63 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 1uam h GLU 202 CO -0.92 1.02 0.12 0.93 -1.18 0.00 0.00 179.01 178.98 1uam h GLU 203 N 0.94 1.05 -0.43 1.92 4.39 -1.58 -1.85 114.58 119.01 1uam h GLU 203 Ca 0.17 -0.27 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 1uam h GLU 203 Cb 0.55 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 1uam h GLU 203 CO 0.03 0.96 -0.01 0.82 -1.16 0.00 0.00 179.01 179.66 1uam h ILE 204 N 0.96 1.23 0.15 3.13 2.04 -0.67 -0.41 117.51 123.95 1uam h ILE 204 Ca 0.20 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 1uam h ILE 204 Cb 0.41 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1uam h ILE 204 CO 0.01 0.33 -0.07 -0.09 0.00 0.00 0.00 178.15 178.33 1uam h ARG 205 N 0.66 -0.19 -0.81 2.37 2.43 -0.74 -1.69 114.38 116.42 1uam h ARG 205 Ca 0.13 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.29 1uam h ARG 205 Cb 0.42 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.98 1uam h ARG 205 CO 0.02 -0.06 0.39 0.87 -1.51 0.00 0.00 179.97 179.68 1uam h LYS 206 N -0.27 1.15 -0.85 0.20 1.57 -1.11 -1.76 116.57 115.49 1uam h LYS 206 Ca -0.02 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.62 1uam h LYS 206 Cb 0.22 -0.21 -0.05 0.00 0.08 0.00 0.00 32.23 32.27 1uam h LYS 206 CO 0.03 0.88 0.56 2.35 -0.57 0.00 0.00 179.45 182.70 1uam h TRP 207 N 1.14 1.05 -0.44 -1.35 7.01 -0.86 0.76 115.95 123.27 1uam h TRP 207 Ca 0.28 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 61.18 1uam h TRP 207 Cb 0.10 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 26.80 1uam h TRP 207 CO 0.01 0.63 -0.22 0.00 -2.79 0.00 0.00 178.44 176.07 1uam h ARG 208 N 1.11 0.93 -0.28 2.65 3.08 -0.84 -1.30 114.38 119.73 1uam h ARG 208 Ca 0.33 -0.41 -0.15 0.00 0.07 0.00 0.00 59.98 59.81 1uam h ARG 208 Cb -0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1uam h ARG 208 CO -0.09 1.07 -0.45 1.25 -1.07 0.00 0.00 179.97 180.68 1uam h LEU 209 N 0.77 0.78 -0.35 3.04 5.85 -1.04 -0.35 115.31 124.01 1uam h LEU 209 Ca 0.10 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 1uam h LEU 209 Cb 0.80 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1uam h LEU 209 CO 0.07 1.11 0.13 0.50 -0.34 0.00 0.00 178.44 179.92 1uam h LYS 210 N 0.58 0.52 -0.61 1.25 3.64 -0.78 -0.29 116.57 120.88 1uam h LYS 210 Ca 0.04 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 1uam h LYS 210 Cb 1.00 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 1uam h LYS 210 CO 0.09 0.52 0.04 1.96 -2.27 0.00 0.00 179.45 179.79 1uam h GLN 211 N 0.41 1.05 -0.68 1.90 1.08 -1.13 0.12 115.11 117.86 1uam h GLN 211 Ca 0.11 -0.31 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1uam h GLN 211 Cb 0.19 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.48 1uam h GLN 211 CO -0.01 1.00 0.44 1.03 -0.95 0.00 0.00 178.83 180.34 1uam h SER 212 N 0.97 0.79 -0.24 1.46 0.87 -0.78 -0.55 113.55 116.07 1uam h SER 212 Ca 0.18 -0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.59 1uam h SER 212 Cb 0.51 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.26 1uam h SER 212 CO 0.02 0.59 -0.28 -0.07 -0.53 0.00 0.00 176.83 176.56 1uam h LEU 213 N 0.92 0.66 -0.15 2.23 3.38 -0.66 -2.56 115.31 119.13 1uam h LEU 213 Ca 0.25 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1uam h LEU 213 Cb -0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1uam h LEU 213 CO -0.05 1.02 0.07 -0.61 0.09 0.00 0.00 178.44 178.96 1uam h GLN 214 N 0.31 0.23 -0.75 1.13 4.15 -0.59 -0.50 115.11 119.09 1uam h GLN 214 Ca 0.03 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1uam h GLN 214 Cb 0.85 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.47 1uam h GLN 214 CO 0.07 0.28 0.42 0.00 -1.93 0.00 0.00 178.83 177.67 1uam h ARG 215 N 0.11 1.03 -0.21 1.69 3.08 -1.16 0.21 114.38 119.13 1uam h ARG 215 Ca 0.05 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 59.94 1uam h ARG 215 Cb 0.13 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1uam h ARG 215 CO -0.01 0.75 -0.07 1.15 -1.07 0.00 0.00 179.97 180.73 1uam h THR 216 N 1.04 1.29 -0.27 2.04 2.02 -1.27 0.18 112.91 117.94 1uam h THR 216 Ca 0.27 -1.08 0.03 0.00 0.77 0.00 0.00 66.41 66.40 1uam h THR 216 Cb 0.01 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1uam h THR 216 CO -0.04 0.33 0.07 -0.25 0.37 0.00 0.00 175.52 176.00 1uam h TRP 217 N 0.14 0.13 -0.16 3.16 7.01 -0.58 0.47 115.95 126.11 1uam h TRP 217 Ca 0.05 0.02 -0.21 0.00 2.11 0.00 0.00 58.89 60.86 1uam h TRP 217 Cb 0.53 -0.02 0.01 0.00 -2.10 0.00 0.00 29.16 27.58 1uam h TRP 217 CO 0.06 0.05 -0.72 -0.07 -2.79 0.00 0.00 178.44 174.96 1uam h LEU 218 N 0.19 0.92 0.06 0.65 3.38 -0.53 -3.24 115.31 116.74 1uam h LEU 218 Ca 0.12 -0.62 -0.36 0.00 0.09 0.00 0.00 57.88 57.11 1uam h LEU 218 Cb 0.11 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1uam h LEU 218 CO -0.14 1.39 -2.09 0.54 0.09 0.00 0.00 178.44 178.22 1uam n ARG 219 N -3.98 0.69 -3.01 1.13 1.74 0.61 -4.71 116.66 109.13 1uam n ARG 219 Ca -0.07 0.27 -0.23 0.00 -0.77 0.00 0.00 57.85 57.05 1uam n ARG 219 Cb 0.72 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1uam n ARG 219 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1uam n ARG 220 N -3.59 2.28 -0.34 5.56 5.12 0.16 -4.94 116.66 120.91 1uam n ARG 220 Ca -0.38 -4.21 0.24 0.00 -1.93 0.00 0.00 57.85 51.57 1uam n ARG 220 Cb 0.97 -2.00 0.51 0.00 -1.16 0.00 0.00 32.46 30.79 1uam n ARG 220 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1uam h PRO 221 N 2.97 0.36 -0.38 5.56 0.13 -1.43 0.72 132.00 139.92 1uam h PRO 221 Ca 0.12 -0.02 0.05 0.00 -0.87 0.00 0.00 66.00 65.27 1uam h PRO 221 Cb 0.72 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 1uam h PRO 221 CO 0.68 0.24 0.26 0.93 -0.23 0.00 0.00 178.00 179.88 1uam h GLU 222 N 0.37 0.31 -0.34 0.86 3.07 -1.91 -1.71 114.58 115.23 1uam h GLU 222 Ca 0.63 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.44 1uam h GLU 222 Cb 1.61 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.44 1uam h GLU 222 CO -0.34 0.20 0.10 -0.07 -1.40 0.00 0.00 179.01 177.51 1uam h LEU 223 N 0.32 0.50 -0.27 1.33 3.38 -1.19 -2.67 115.31 116.72 1uam h LEU 223 Ca 0.16 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1uam h LEU 223 Cb 0.25 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1uam h LEU 223 CO -0.04 0.58 0.08 -0.07 0.09 0.00 0.00 178.44 179.09 1uam h LEU 224 N 0.39 0.08 -2.01 1.67 3.38 -1.38 -0.79 115.31 116.65 1uam h LEU 224 Ca 0.11 0.03 0.15 0.00 0.09 0.00 0.00 57.88 58.26 1uam h LEU 224 Cb 0.27 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1uam h LEU 224 CO -0.00 0.08 0.41 -0.33 0.09 0.00 0.00 178.44 178.69 1uam h GLU 225 N 0.20 0.00 0.05 1.13 5.08 -1.30 -1.25 114.58 118.49 1uam h GLU 225 Ca 0.12 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.21 1uam h GLU 225 Cb 0.09 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1uam h GLU 225 CO -0.13 0.00 -1.37 0.78 -1.00 0.00 0.00 179.01 177.30 1uam h GLY 226 N 0.00 0.12 -1.58 -3.84 0.00 -0.83 -3.47 103.07 93.47 1uam h GLY 226 Ca 0.24 -0.31 -0.49 0.00 0.00 0.00 0.00 47.33 46.78 1uam h GLY 226 CO -0.00 0.27 0.39 1.08 0.00 0.00 0.00 176.54 178.28 1uam s LEU 227 N -6.69 3.45 -0.41 3.11 1.43 -0.47 -5.04 118.68 114.05 1uam s LEU 227 Ca -0.04 1.51 -0.04 0.00 -1.03 0.00 0.00 54.13 54.53 1uam s LEU 227 Cb 0.08 -4.49 0.11 0.00 0.03 0.00 0.00 46.19 41.92 1uam s LEU 227 CO 0.84 -0.72 0.21 0.00 0.23 0.00 0.00 176.35 176.91 1uam s ALA 228 N -2.86 3.17 0.55 4.21 0.00 -1.26 -4.96 121.76 120.60 1uam s ALA 228 Ca 0.57 -2.51 -0.18 0.00 0.00 0.00 0.00 51.96 49.85 1uam s ALA 228 Cb -0.10 -2.44 -0.06 0.00 0.00 0.00 0.00 23.12 20.52 1uam s ALA 228 CO 0.41 -1.79 1.06 -0.51 0.00 0.00 0.00 175.76 174.92 1uam s LEU 229 N 1.17 3.66 0.80 0.00 1.43 -1.26 -5.05 118.68 119.42 1uam s LEU 229 Ca 0.08 1.90 -0.10 0.00 -1.03 0.00 0.00 54.13 54.97 1uam s LEU 229 Cb -0.23 -4.55 0.09 0.00 0.03 0.00 0.00 46.19 41.54 1uam s LEU 229 CO -0.04 -1.03 1.14 0.42 0.23 0.00 0.00 176.35 177.08 1uam s THR 230 N -2.20 2.09 0.13 5.49 -4.23 -1.26 -4.80 115.64 110.86 1uam s THR 230 Ca 0.66 -0.11 -0.20 0.00 -1.18 0.00 0.00 61.69 60.87 1uam s THR 230 Cb -0.17 -2.98 -0.02 0.00 1.34 0.00 0.00 72.50 70.67 1uam s THR 230 CO 0.29 0.00 1.71 0.44 -0.54 0.00 0.00 174.62 176.52 1uam h ASP 231 N -0.98 -0.17 -0.85 3.99 3.32 -1.99 -0.12 116.42 119.62 1uam h ASP 231 Ca -0.45 0.06 0.03 0.00 0.02 0.00 0.00 57.03 56.69 1uam h ASP 231 Cb 1.31 0.12 -0.05 0.00 0.22 0.00 0.00 39.33 40.93 1uam h ASP 231 CO 0.59 -0.06 0.55 -0.08 -1.72 0.00 0.00 179.24 178.52 1uam h GLU 232 N 0.02 1.04 -0.67 3.56 4.81 -1.99 -1.14 114.58 120.21 1uam h GLU 232 Ca 0.10 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1uam h GLU 232 Cb 0.15 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1uam h GLU 232 CO -0.21 0.69 0.18 1.96 -0.73 0.00 0.00 179.01 180.90 1uam h GLN 233 N 1.07 1.06 0.00 1.92 4.20 -1.79 0.17 115.11 121.74 1uam h GLN 233 Ca 0.34 -0.24 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 1uam h GLN 233 Cb -0.01 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 1uam h GLN 233 CO -0.11 0.93 -0.27 0.00 -0.67 0.00 0.00 178.83 178.71 1uam h ARG 234 N 0.99 0.00 0.04 1.46 3.08 -0.40 -0.04 114.38 119.51 1uam h ARG 234 Ca 0.21 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.02 1uam h ARG 234 Cb 0.34 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.41 1uam h ARG 234 CO -0.00 0.27 -0.97 -0.22 -1.07 0.00 0.00 179.97 177.98 1uam h LYS 235 N 0.00 0.58 0.00 0.04 3.64 -0.65 -2.75 116.57 117.43 1uam h LYS 235 Ca -0.00 -0.68 -0.10 0.00 -1.27 0.00 0.00 60.65 58.60 1uam h LYS 235 Cb 0.49 0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1uam h LYS 235 CO 0.04 1.28 -0.47 -0.07 -2.27 0.00 0.00 179.45 177.96 1uam h LEU 236 N 0.18 0.00 -0.22 5.20 3.38 -0.78 -2.20 115.31 120.88 1uam h LEU 236 Ca -0.13 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.63 1uam h LEU 236 Cb 1.66 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.41 1uam h LEU 236 CO 0.19 0.47 -0.67 0.25 0.09 0.00 0.00 178.44 178.77 1uam h LEU 237 N 0.00 0.96 -0.26 1.67 5.85 -1.05 -0.09 115.31 122.39 1uam h LEU 237 Ca -0.00 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1uam h LEU 237 Cb 1.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1uam h LEU 237 CO 0.06 1.38 0.17 0.11 -0.34 0.00 0.00 178.44 179.82 1uam h LYS 238 N 0.60 0.35 -0.61 1.25 1.57 -1.30 -0.99 116.57 117.44 1uam h LYS 238 Ca -0.02 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1uam h LYS 238 Cb 1.29 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1uam h LYS 238 CO 0.14 0.23 0.22 0.93 -0.57 0.00 0.00 179.45 180.41 1uam h GLU 239 N 0.35 0.92 -0.80 3.15 5.08 -1.33 -0.83 114.58 121.13 1uam h GLU 239 Ca 0.10 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1uam h GLU 239 Cb -0.04 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 1uam h GLU 239 CO -0.02 0.80 0.36 0.00 -1.00 0.00 0.00 179.01 179.15 1uam h ALA 240 N 1.08 1.03 -0.27 3.43 0.00 -0.74 0.23 119.26 124.02 1uam h ALA 240 Ca 0.20 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1uam h ALA 240 Cb 0.23 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1uam h ALA 240 CO -0.01 0.62 -0.47 1.96 0.00 0.00 0.00 179.25 181.34 1uam h GLN 241 N 1.14 0.73 -0.54 0.00 4.20 -0.97 -2.02 115.11 117.65 1uam h GLN 241 Ca 0.27 -0.42 -0.08 0.00 0.06 0.00 0.00 58.65 58.48 1uam h GLN 241 Cb 0.16 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 1uam h GLN 241 CO -0.03 1.04 0.00 0.00 -0.67 0.00 0.00 178.83 179.17 1uam h ALA 242 N 0.89 0.98 -0.45 3.87 0.00 -0.83 0.14 119.26 123.85 1uam h ALA 242 Ca 0.03 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 1uam h ALA 242 Cb 1.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1uam h ALA 242 CO 0.10 0.62 -0.23 0.93 0.00 0.00 0.00 179.25 180.67 1uam h GLU 243 N 0.85 0.92 -0.50 0.00 5.08 -0.84 -2.72 114.58 117.37 1uam h GLU 243 Ca 0.16 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 1uam h GLU 243 Cb 0.50 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1uam h GLU 243 CO 0.02 1.05 -0.06 1.25 -1.00 0.00 0.00 179.01 180.28 1uam h HIS 244 N 0.79 1.02 0.00 4.33 2.76 -1.05 -2.60 115.15 120.40 1uam h HIS 244 Ca 0.10 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 58.07 1uam h HIS 244 Cb 0.79 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.49 1uam h HIS 244 CO 0.05 0.97 0.00 0.09 -1.30 0.00 0.00 177.93 177.73 1uam n ASN 245 N -4.26 0.00 -0.55 3.26 3.02 0.01 -2.52 115.26 114.22 1uam n ASN 245 Ca 0.01 -0.78 0.11 0.00 -0.03 0.00 0.00 54.58 53.89 1uam n ASN 245 Cb 0.36 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.54 1uam n ASN 245 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1uam n SER 246 N -0.98 2.15 -4.41 6.41 7.64 -0.98 -4.98 113.62 118.47 1uam n SER 246 Ca 0.17 -1.57 -0.22 0.00 1.01 0.00 0.00 58.87 58.25 1uam n SER 246 Cb 0.08 0.42 -0.10 0.00 -1.01 0.00 0.00 64.21 63.59 1uam n SER 246 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1uam s LEU 247 N -2.42 2.55 0.63 -3.43 1.43 -1.05 -5.10 118.68 111.30 1uam s LEU 247 Ca 0.20 -1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 52.15 1uam s LEU 247 Cb 0.18 -0.94 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 1uam s LEU 247 CO 0.54 -0.03 1.07 -1.61 0.23 0.00 0.00 176.35 176.55 1uam s GLU 248 N -3.42 3.11 0.17 1.70 2.02 -1.26 -5.02 118.70 115.99 1uam s GLU 248 Ca 0.26 1.18 -0.01 0.00 0.02 0.00 0.00 54.97 56.41 1uam s GLU 248 Cb -0.04 -2.00 -0.04 0.00 0.10 0.00 0.00 34.13 32.15 1uam s GLU 248 CO 0.11 -0.98 0.10 -1.01 0.02 0.00 0.00 175.26 173.51 1uam s HIS 249 N -2.58 0.98 -2.96 1.61 3.76 -1.26 -5.14 115.29 109.69 1uam s HIS 249 Ca 0.63 -1.28 0.24 0.00 -0.15 0.00 0.00 55.06 54.50 1uam s HIS 249 Cb -0.16 -0.49 0.25 0.00 1.11 0.00 0.00 32.58 33.29 1uam s HIS 249 CO 0.42 -0.59 1.29 0.72 -0.85 0.00 0.00 174.74 175.74