#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qtm s ARG 2 N 0.00 4.57 -0.35 0.03 0.52 -0.00 -4.76 118.95 118.95 2qtm s ARG 2 Ca 0.00 1.72 -0.15 0.00 -0.52 0.00 0.00 55.73 56.79 2qtm s ARG 2 Cb 0.00 -3.29 -0.01 0.00 0.52 0.00 0.00 34.95 32.17 2qtm s ARG 2 CO 0.00 0.02 0.33 0.15 0.02 0.00 0.00 175.30 175.82 2qtm s LYS 3 N -0.14 3.49 -0.10 3.54 1.02 -1.26 -0.01 119.74 126.27 2qtm s LYS 3 Ca 0.51 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 55.98 2qtm s LYS 3 Cb -0.29 -3.82 0.02 0.00 -0.52 0.00 0.00 37.83 33.21 2qtm s LYS 3 CO 0.34 -0.53 -0.13 0.42 -0.92 0.00 0.00 175.35 174.53 2qtm s ILE 4 N 1.92 1.32 0.15 2.17 1.01 -1.16 0.11 121.20 126.72 2qtm s ILE 4 Ca 0.10 -0.54 -0.17 0.00 0.00 0.00 0.00 60.65 60.03 2qtm s ILE 4 Cb -0.17 -1.23 -0.07 0.00 0.01 0.00 0.00 42.46 41.00 2qtm s ILE 4 CO 0.11 0.41 0.60 -0.83 0.00 0.00 0.00 174.94 175.23 2qtm s GLY 5 N 1.02 2.57 -0.10 6.18 0.00 -0.16 -1.24 107.32 115.59 2qtm s GLY 5 Ca -0.07 0.00 0.04 0.00 0.00 0.00 0.00 44.72 44.69 2qtm s GLY 5 CO -0.01 0.35 -0.22 -0.42 0.00 0.00 0.00 173.10 172.79 2qtm s ILE 6 N -1.38 2.22 -0.19 0.90 -1.09 0.82 0.70 121.20 123.18 2qtm s ILE 6 Ca 0.37 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.83 2qtm s ILE 6 Cb -0.17 -1.85 0.04 0.00 -1.58 0.00 0.00 42.46 38.90 2qtm s ILE 6 CO 0.20 0.56 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.71 2qtm s ILE 7 N 0.25 1.74 0.32 2.92 1.01 0.41 -1.16 121.20 126.69 2qtm s ILE 7 Ca -0.15 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.51 2qtm s ILE 7 Cb -0.17 -1.75 -0.03 0.00 0.01 0.00 0.00 42.46 40.52 2qtm s ILE 7 CO 0.08 0.24 0.50 -0.83 0.00 0.00 0.00 174.94 174.92 2qtm s GLY 8 N 1.37 1.32 0.00 6.18 0.00 -1.26 -0.95 107.32 113.97 2qtm s GLY 8 Ca -0.00 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.69 2qtm s GLY 8 CO -0.09 -0.98 0.00 0.61 0.00 0.00 0.00 173.10 172.64 2qtm n GLY 9 N -1.68 -0.93 0.13 0.20 0.00 -1.20 -4.93 105.19 96.78 2qtm n GLY 9 Ca -0.06 -1.27 -0.20 0.00 0.00 0.00 0.00 46.02 44.49 2qtm n GLY 9 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2qtm h THR 10 N 4.14 1.02 -5.79 2.61 1.35 -1.91 0.85 112.91 115.18 2qtm h THR 10 Ca 0.00 -2.64 -0.37 0.00 -0.55 0.00 0.00 66.41 62.85 2qtm h THR 10 Cb 0.00 2.74 0.14 0.00 -1.73 0.00 0.00 68.15 69.30 2qtm h THR 10 CO 0.00 0.83 -0.75 0.49 -0.25 0.00 0.00 175.52 175.84 2qtm n PHE 11 N -3.51 -2.36 -3.31 4.73 3.01 -1.26 -4.61 117.46 110.15 2qtm n PHE 11 Ca -0.21 0.95 -0.26 0.00 1.01 0.00 0.00 57.45 58.94 2qtm n PHE 11 Cb 1.06 -4.94 -0.07 0.00 -0.01 0.00 0.00 39.48 35.52 2qtm n PHE 11 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2qtm n ASP 12 N -3.07 3.07 -4.96 4.37 4.64 -1.26 -3.16 116.55 116.17 2qtm n ASP 12 Ca -0.19 -3.32 -0.21 0.00 -1.38 0.00 0.00 54.79 49.69 2qtm n ASP 12 Cb 0.63 -0.65 0.02 0.00 -1.04 0.00 0.00 41.12 40.08 2qtm n ASP 12 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 2qtm s PRO 13 N -2.36 2.39 0.66 -0.67 0.04 -1.26 -4.62 135.00 129.17 2qtm s PRO 13 Ca 0.40 -1.69 -0.12 0.00 0.04 0.00 0.00 61.00 59.63 2qtm s PRO 13 Cb 0.18 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 32.26 2qtm s PRO 13 CO -0.05 -0.60 1.05 -1.25 0.04 0.00 0.00 177.00 176.19 2qtm s PRO 14 N -4.42 3.17 0.31 0.56 0.04 -1.19 -4.50 135.00 128.98 2qtm s PRO 14 Ca 0.50 0.94 -0.13 0.00 0.04 0.00 0.00 61.00 62.35 2qtm s PRO 14 Cb -0.05 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.49 2qtm s PRO 14 CO 0.31 -0.91 0.60 -3.38 0.04 0.00 0.00 177.00 173.66 2qtm s HIS 15 N -2.99 0.36 0.65 0.56 -3.43 -1.26 -4.75 115.29 104.42 2qtm s HIS 15 Ca 0.58 -0.79 0.36 0.00 -0.80 0.00 0.00 55.06 54.41 2qtm s HIS 15 Cb -0.13 0.39 1.98 0.00 -1.43 0.00 0.00 32.58 33.39 2qtm s HIS 15 CO 0.52 -1.22 2.17 1.88 -2.00 0.00 0.00 174.74 176.08 2qtm h TYR 16 N 2.11 0.00 -0.33 0.38 0.99 -1.80 0.21 116.97 118.53 2qtm h TYR 16 Ca -0.27 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.39 2qtm h TYR 16 Cb 1.25 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 38.96 2qtm h TYR 16 CO 0.90 0.00 -0.09 0.78 -0.00 0.00 0.00 178.16 179.75 2qtm h GLY 17 N 0.00 0.59 0.72 3.88 0.00 -1.86 0.59 103.07 106.99 2qtm h GLY 17 Ca 0.02 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 2qtm h GLY 17 CO -0.00 0.37 -0.23 0.45 0.00 0.00 0.00 176.54 177.13 2qtm h HIS 18 N 0.51 0.45 -0.27 5.60 3.86 -0.95 -2.68 115.15 121.67 2qtm h HIS 18 Ca 0.10 -0.16 -0.14 0.00 -1.16 0.00 0.00 60.37 59.01 2qtm h HIS 18 Cb 0.47 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.86 2qtm h HIS 18 CO 0.02 0.84 -0.37 -0.07 0.86 0.00 0.00 177.93 179.21 2qtm h LEU 19 N -0.07 0.78 -0.11 2.43 3.38 -1.36 -2.05 115.31 118.31 2qtm h LEU 19 Ca 0.00 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 57.49 2qtm h LEU 19 Cb 0.82 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2qtm h LEU 19 CO 0.05 1.14 -0.02 0.25 0.09 0.00 0.00 178.44 179.95 2qtm h LEU 20 N 0.45 -0.09 -0.76 1.67 5.85 0.11 -1.08 115.31 121.47 2qtm h LEU 20 Ca 0.03 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 2qtm h LEU 20 Cb 0.96 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 2qtm h LEU 20 CO 0.09 -0.03 0.36 0.40 -0.34 0.00 0.00 178.44 178.92 2qtm h ILE 21 N 0.01 1.24 0.03 4.05 2.04 -1.49 -0.87 117.51 122.52 2qtm h ILE 21 Ca 0.05 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 2qtm h ILE 21 Cb 0.08 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 2qtm h ILE 21 CO -0.11 0.29 -0.01 0.00 0.00 0.00 0.00 178.15 178.32 2qtm h ALA 22 N 1.18 -0.04 -0.73 1.87 0.00 -1.11 -2.07 119.26 118.37 2qtm h ALA 22 Ca 0.26 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2qtm h ALA 22 Cb 0.12 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2qtm h ALA 22 CO -0.03 -0.48 0.36 -0.97 0.00 0.00 0.00 179.25 178.13 2qtm h ASN 23 N -0.13 0.95 0.22 0.00 -0.73 -1.05 -0.33 115.58 114.52 2qtm h ASN 23 Ca -0.00 -0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.02 2qtm h ASN 23 Cb 0.11 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 38.46 2qtm h ASN 23 CO 0.01 0.81 -0.11 -0.33 -0.37 0.00 0.00 177.43 177.44 2qtm h GLU 24 N 1.02 -0.29 -0.42 6.67 4.39 -1.04 -2.35 114.58 122.55 2qtm h GLU 24 Ca 0.25 0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.88 2qtm h GLU 24 Cb 0.11 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2qtm h GLU 24 CO -0.03 -0.06 -0.12 0.28 -1.16 0.00 0.00 179.01 177.92 2qtm h VAL 25 N -0.49 1.26 -0.94 3.13 2.07 -1.36 0.18 116.25 120.09 2qtm h VAL 25 Ca -0.03 -1.18 0.15 0.00 0.82 0.00 0.00 66.70 66.46 2qtm h VAL 25 Cb 0.37 1.06 -0.09 0.00 -1.52 0.00 0.00 31.29 31.11 2qtm h VAL 25 CO 0.05 0.40 0.56 0.22 0.02 0.00 0.00 177.57 178.82 2qtm h TYR 26 N 0.69 0.99 0.00 1.57 3.20 -0.99 -0.45 116.97 121.98 2qtm h TYR 26 Ca 0.12 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 2qtm h TYR 26 Cb 0.60 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 2qtm h TYR 26 CO 0.03 0.31 -0.28 0.45 -1.64 0.00 0.00 178.16 177.02 2qtm h HIS 27 N 0.81 0.00 -0.97 -3.82 3.86 -0.95 -1.57 115.15 112.51 2qtm h HIS 27 Ca 0.50 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.86 2qtm h HIS 27 Cb 0.64 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.02 2qtm h HIS 27 CO -0.03 0.93 0.59 0.00 0.86 0.00 0.00 177.93 180.28 2qtm h ALA 28 N -0.27 1.51 -0.55 2.45 0.00 -0.49 -2.50 119.26 119.41 2qtm h ALA 28 Ca -0.07 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qtm h ALA 28 Cb 0.92 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2qtm h ALA 28 CO -0.04 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.57 2qtm n LEU 29 N -4.71 3.47 -3.83 0.00 4.77 -0.19 -5.01 117.00 111.50 2qtm n LEU 29 Ca 0.20 -2.01 -0.30 0.00 -0.03 0.00 0.00 56.01 53.87 2qtm n LEU 29 Cb 0.43 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2qtm n LEU 29 CO 0.24 0.86 -0.15 0.59 -1.33 0.00 0.00 177.39 177.61 2qtm n ASN 30 N 1.09 -3.00 -4.90 -1.43 3.02 -0.95 -4.97 115.26 104.12 2qtm n ASN 30 Ca 0.18 -1.03 -0.28 0.00 -0.03 0.00 0.00 54.58 53.42 2qtm n ASN 30 Cb 0.53 -3.10 0.05 0.00 -0.61 0.00 0.00 39.78 36.64 2qtm n ASN 30 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2qtm s LEU 31 N -6.77 2.99 -0.12 3.41 1.43 -0.61 -4.89 118.68 114.12 2qtm s LEU 31 Ca 0.27 0.86 -0.28 0.00 -1.03 0.00 0.00 54.13 53.96 2qtm s LEU 31 Cb -0.10 -3.63 -0.27 0.00 0.03 0.00 0.00 46.19 42.22 2qtm s LEU 31 CO 0.88 -1.30 0.82 -0.33 0.23 0.00 0.00 176.35 176.65 2qtm h GLU 32 N -0.49 0.05 -3.49 1.70 4.39 0.45 -3.48 114.58 113.72 2qtm h GLU 32 Ca -0.45 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.13 2qtm h GLU 32 Cb 1.27 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.87 2qtm h GLU 32 CO 0.62 1.02 -0.02 -1.21 -1.16 0.00 0.00 179.01 178.26 2qtm s GLU 33 N -2.36 1.64 -0.05 2.33 2.02 -1.25 -4.90 118.70 116.14 2qtm s GLU 33 Ca -0.18 -1.21 0.03 0.00 0.02 0.00 0.00 54.97 53.63 2qtm s GLU 33 Cb -0.02 0.51 0.01 0.00 0.10 0.00 0.00 34.13 34.72 2qtm s GLU 33 CO 0.71 -0.71 -0.12 0.08 0.02 0.00 0.00 175.26 175.25 2qtm s VAL 34 N -3.91 1.08 -0.11 2.63 1.01 -0.68 -0.99 120.40 119.44 2qtm s VAL 34 Ca 0.20 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2qtm s VAL 34 Cb -0.02 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2qtm s VAL 34 CO 0.09 0.33 -0.08 0.26 0.00 0.00 0.00 175.10 175.70 2qtm s TRP 35 N 0.36 2.92 -0.32 5.22 0.51 0.22 -2.22 118.94 125.63 2qtm s TRP 35 Ca -0.08 -0.22 -0.15 0.00 -2.12 0.00 0.00 56.10 53.53 2qtm s TRP 35 Cb -0.12 -1.81 -0.02 0.00 -0.81 0.00 0.00 33.47 30.71 2qtm s TRP 35 CO 0.02 0.10 0.36 -0.06 -0.51 0.00 0.00 176.95 176.86 2qtm s PHE 36 N -0.22 3.22 -0.81 -1.98 0.40 -0.17 -0.44 117.98 117.97 2qtm s PHE 36 Ca 0.03 0.10 -0.12 0.00 -0.60 0.00 0.00 56.93 56.33 2qtm s PHE 36 Cb -0.13 -2.64 0.21 0.00 0.51 0.00 0.00 43.02 40.97 2qtm s PHE 36 CO 0.03 -0.37 0.73 -1.17 0.70 0.00 0.00 175.22 175.13 2qtm s LEU 37 N 2.03 6.53 0.47 -0.37 0.20 -0.12 -0.21 118.68 127.21 2qtm s LEU 37 Ca 0.13 -2.75 -0.25 0.00 0.69 0.00 0.00 54.13 51.95 2qtm s LEU 37 Cb -0.16 -2.16 -0.08 0.00 -0.43 0.00 0.00 46.19 43.36 2qtm s LEU 37 CO 0.11 -0.53 1.43 -2.84 -0.29 0.00 0.00 176.35 174.23 2qtm s PRO 38 N 0.08 3.58 0.42 0.98 0.02 -1.24 -3.21 135.00 135.62 2qtm s PRO 38 Ca 0.18 2.41 -0.21 0.00 0.02 0.00 0.00 61.00 63.40 2qtm s PRO 38 Cb -0.11 -2.59 -0.11 0.00 0.02 0.00 0.00 34.50 31.71 2qtm s PRO 38 CO -0.08 -0.90 0.94 -0.80 -0.33 0.00 0.00 177.00 175.83 2qtm s ASN 39 N -0.55 6.98 0.52 2.53 0.01 0.29 -4.33 114.94 120.39 2qtm s ASN 39 Ca 0.63 1.69 -0.17 0.00 -0.71 0.00 0.00 52.86 54.30 2qtm s ASN 39 Cb -0.44 -2.54 -0.07 0.00 0.41 0.00 0.00 41.25 38.61 2qtm s ASN 39 CO 0.56 -0.33 1.00 -1.58 -1.51 0.00 0.00 177.10 175.24 2qtm s GLN 40 N -3.06 3.84 0.17 -0.60 2.00 -1.26 -4.88 119.66 115.86 2qtm s GLN 40 Ca 0.61 1.04 -0.30 0.00 -2.00 0.00 0.00 55.36 54.70 2qtm s GLN 40 Cb -0.10 -2.12 -0.08 0.00 0.80 0.00 0.00 33.01 31.51 2qtm s GLN 40 CO 0.14 -0.37 1.29 0.42 -0.50 0.00 0.00 175.29 176.27 2qtm s ILE 41 N -2.53 3.38 0.55 -2.34 1.01 -1.26 -4.79 121.20 115.22 2qtm s ILE 41 Ca 0.60 1.10 -0.18 0.00 0.00 0.00 0.00 60.65 62.17 2qtm s ILE 41 Cb -0.11 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 2qtm s ILE 41 CO 0.30 0.14 1.08 -2.84 0.00 0.00 0.00 174.94 173.63 2qtm s PRO 42 N 0.19 3.41 0.67 2.79 0.02 -1.26 -4.51 135.00 136.31 2qtm s PRO 42 Ca 0.57 1.40 -0.16 0.00 0.02 0.00 0.00 61.00 62.83 2qtm s PRO 42 Cb -0.35 -2.03 0.01 0.00 0.02 0.00 0.00 34.50 32.15 2qtm s PRO 42 CO 0.36 -0.76 1.17 -1.25 -0.33 0.00 0.00 177.00 176.18 2qtm s PRO 43 N -3.59 2.56 0.00 5.54 0.04 -1.26 -2.70 135.00 135.59 2qtm s PRO 43 Ca 0.68 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2qtm s PRO 43 Cb -0.19 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2qtm s PRO 43 CO 0.29 -1.48 0.00 0.72 0.04 0.00 0.00 177.00 176.57 2qtm n HIS 44 N -2.36 0.00 -1.62 0.56 8.25 -1.26 -4.83 115.22 113.96 2qtm n HIS 44 Ca 0.12 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.18 2qtm n HIS 44 Cb 0.51 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.64 2qtm n HIS 44 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2qtm n LYS 45 N 0.00 1.30 -1.15 -0.41 0.00 -1.10 -2.95 118.16 113.85 2qtm n LYS 45 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 58.31 58.78 2qtm n LYS 45 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 35.03 32.92 2qtm n LYS 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2qtm n GLN 46 N -0.14 -0.50 0.00 1.64 1.13 -1.26 -4.49 117.38 113.76 2qtm n GLN 46 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 2qtm n GLN 46 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.76 2qtm n GLN 46 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2qtm n GLY 47 N -0.45 1.25 0.00 1.08 0.00 -1.15 -4.44 105.19 101.48 2qtm n GLY 47 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qtm n GLY 47 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qtm n ARG 48 N 0.42 3.30 -2.94 1.61 0.63 -1.26 -5.05 116.66 113.37 2qtm n ARG 48 Ca 0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 2qtm n ARG 48 Cb 0.27 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.14 2qtm n ARG 48 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2qtm s ASP 49 N 0.15 6.21 0.25 6.15 2.15 -1.26 -4.98 116.67 125.33 2qtm s ASP 49 Ca 0.00 -0.96 -0.11 0.00 0.43 0.00 0.00 52.55 51.91 2qtm s ASP 49 Cb 0.00 -2.38 -0.01 0.00 -0.30 0.00 0.00 42.92 40.23 2qtm s ASP 49 CO 0.00 -1.28 0.44 0.27 -0.17 0.00 0.00 175.17 174.43 2qtm s ILE 50 N 3.61 0.00 0.32 4.11 -4.36 -1.26 -5.07 121.20 118.55 2qtm s ILE 50 Ca 0.21 -1.49 -0.29 0.00 -0.26 0.00 0.00 60.65 58.81 2qtm s ILE 50 Cb -0.18 -2.28 -0.11 0.00 1.25 0.00 0.00 42.46 41.14 2qtm s ILE 50 CO 0.11 0.00 1.51 -0.89 0.24 0.00 0.00 174.94 175.91 2qtm s THR 51 N -3.96 2.22 0.44 8.37 2.01 -1.26 -5.01 115.64 118.45 2qtm s THR 51 Ca 0.25 0.20 -0.19 0.00 0.31 0.00 0.00 61.69 62.26 2qtm s THR 51 Cb 0.00 -3.12 -0.10 0.00 0.01 0.00 0.00 72.50 69.29 2qtm s THR 51 CO 0.10 0.04 0.93 -0.94 -0.69 0.00 0.00 174.62 174.06 2qtm s SER 52 N 0.19 6.82 0.54 3.53 1.04 -1.26 -4.92 113.70 119.63 2qtm s SER 52 Ca 0.58 1.59 0.21 0.00 0.48 0.00 0.00 55.95 58.81 2qtm s SER 52 Cb -0.46 -2.50 1.39 0.00 0.10 0.00 0.00 66.02 64.55 2qtm s SER 52 CO 0.52 -0.40 2.10 -0.37 0.98 0.00 0.00 173.24 176.07 2qtm h VAL 53 N 1.63 0.83 -0.58 5.02 -1.51 -1.97 -1.29 116.25 118.37 2qtm h VAL 53 Ca -0.48 0.00 0.04 0.00 -1.23 0.00 0.00 66.70 65.03 2qtm h VAL 53 Cb 1.18 0.90 -0.04 0.00 -2.13 0.00 0.00 31.29 31.20 2qtm h VAL 53 CO 0.62 0.00 0.33 -0.33 -1.23 0.00 0.00 177.57 176.96 2qtm h GLU 54 N 0.00 0.62 -0.32 5.19 3.07 -2.00 0.01 114.58 121.16 2qtm h GLU 54 Ca 0.09 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 58.78 2qtm h GLU 54 Cb 0.37 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 2qtm h GLU 54 CO -0.00 0.41 -0.35 0.77 -1.40 0.00 0.00 179.01 178.44 2qtm h SER 55 N 0.64 0.76 -0.46 1.42 0.02 -1.62 -2.40 113.55 111.91 2qtm h SER 55 Ca 0.25 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2qtm h SER 55 Cb 0.09 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 2qtm h SER 55 CO -0.13 1.04 0.27 0.03 -1.14 0.00 0.00 176.83 176.90 2qtm h ARG 56 N 0.61 0.63 -0.64 3.45 3.08 -1.00 -1.78 114.38 118.72 2qtm h ARG 56 Ca 0.06 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.10 2qtm h ARG 56 Cb 0.88 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.75 2qtm h ARG 56 CO 0.08 0.48 0.36 -0.07 -1.07 0.00 0.00 179.97 179.75 2qtm h LEU 57 N 0.61 0.55 0.63 3.04 4.07 -0.88 0.35 115.31 123.69 2qtm h LEU 57 Ca 0.17 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.12 2qtm h LEU 57 Cb 0.01 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.67 2qtm h LEU 57 CO -0.03 0.36 -0.33 1.56 -1.08 0.00 0.00 178.44 178.92 2qtm h GLN 58 N 0.68 -0.86 -0.57 1.13 1.08 -0.99 0.34 115.11 115.93 2qtm h GLN 58 Ca 0.28 0.06 0.08 0.00 -1.45 0.00 0.00 58.65 57.62 2qtm h GLN 58 Cb 0.15 0.19 -0.06 0.00 -0.05 0.00 0.00 27.48 27.71 2qtm h GLN 58 CO -0.16 -0.57 0.22 0.52 -0.95 0.00 0.00 178.83 177.88 2qtm h MET 59 N -0.89 0.39 -0.57 1.46 2.86 -1.16 0.32 114.93 117.35 2qtm h MET 59 Ca -0.08 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2qtm h MET 59 Cb 0.70 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 2qtm h MET 59 CO 0.12 0.26 0.37 1.25 1.06 0.00 0.00 176.91 179.97 2qtm h LEU 60 N 0.40 0.66 -0.12 1.22 6.46 -0.65 0.66 115.31 123.94 2qtm h LEU 60 Ca 0.28 -0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.96 2qtm h LEU 60 Cb 0.32 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.08 2qtm h LEU 60 CO -0.27 0.48 -0.14 -0.08 -0.62 0.00 0.00 178.44 177.80 2qtm h GLU 61 N 0.77 0.31 -0.74 1.25 4.57 0.18 -2.55 114.58 118.38 2qtm h GLU 61 Ca 0.21 -0.17 0.11 0.00 -1.18 0.00 0.00 59.36 58.33 2qtm h GLU 61 Cb -0.08 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 28.44 2qtm h GLU 61 CO -0.04 0.73 0.35 -0.07 -1.18 0.00 0.00 179.01 178.80 2qtm h LEU 62 N -0.09 0.43 -1.21 1.64 -0.00 0.39 -1.56 115.31 114.91 2qtm h LEU 62 Ca 0.02 0.08 -0.02 0.00 -0.00 0.00 0.00 57.88 57.96 2qtm h LEU 62 Cb 0.68 0.01 -0.00 0.00 -0.00 0.00 0.00 40.66 41.35 2qtm h LEU 62 CO 0.03 0.22 -0.08 0.00 -0.00 0.00 0.00 178.44 178.62 2qtm h ALA 63 N 1.47 1.01 -0.01 1.53 0.00 -0.83 -3.32 119.26 119.11 2qtm h ALA 63 Ca 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.22 2qtm h ALA 63 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2qtm h ALA 63 CO -0.31 0.10 0.00 0.25 0.00 0.00 0.00 179.25 179.28 2qtm n THR 64 N -3.19 0.10 0.22 0.00 -2.24 -0.91 -4.73 114.28 103.52 2qtm n THR 64 Ca 0.01 -0.55 0.07 0.00 -2.27 0.00 0.00 64.05 61.30 2qtm n THR 64 Cb 0.37 0.99 0.57 0.00 -2.10 0.00 0.00 70.33 70.16 2qtm n THR 64 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2qtm h GLU 65 N 0.41 0.05 0.00 -0.78 4.11 -1.40 -2.36 114.58 114.61 2qtm h GLU 65 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2qtm h GLU 65 Cb 0.13 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2qtm h GLU 65 CO 0.00 0.10 0.00 0.00 0.07 0.00 0.00 179.01 179.18 2qtm n ALA 66 N -2.52 2.48 -4.07 1.06 0.00 -1.26 -4.68 120.51 111.52 2qtm n ALA 66 Ca -0.02 -0.16 -0.33 0.00 0.00 0.00 0.00 53.44 52.93 2qtm n ALA 66 Cb 0.14 -1.46 -0.16 0.00 0.00 0.00 0.00 19.45 17.97 2qtm n ALA 66 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qtm s GLU 67 N -2.31 2.84 0.30 0.00 8.01 -0.89 -4.98 118.70 121.68 2qtm s GLU 67 Ca 0.34 -0.94 0.08 0.00 0.01 0.00 0.00 54.97 54.47 2qtm s GLU 67 Cb 0.19 -2.67 0.48 0.00 -4.31 0.00 0.00 34.13 27.82 2qtm s GLU 67 CO 0.39 -0.29 1.70 0.93 0.01 0.00 0.00 175.26 178.00 2qtm h GLU 68 N 7.92 0.17 -0.00 1.61 4.39 -1.83 -2.95 114.58 123.88 2qtm h GLU 68 Ca -0.40 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.22 2qtm h GLU 68 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2qtm h GLU 68 CO 0.60 0.58 -0.01 -2.39 -1.16 0.00 0.00 179.01 176.63 2qtm n HIS 69 N -4.00 0.00 -4.18 4.33 1.44 -1.26 -4.70 115.22 106.84 2qtm n HIS 69 Ca -0.02 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.35 2qtm n HIS 69 Cb 0.49 -0.23 -0.14 0.00 0.12 0.00 0.00 29.99 30.22 2qtm n HIS 69 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2qtm s PHE 70 N -2.48 2.89 0.15 -1.40 2.99 -1.11 -1.68 117.98 117.34 2qtm s PHE 70 Ca 0.31 -0.96 0.02 0.00 0.00 0.00 0.00 56.93 56.30 2qtm s PHE 70 Cb 0.21 -2.00 -0.04 0.00 0.00 0.00 0.00 43.02 41.18 2qtm s PHE 70 CO 0.45 -0.49 -0.03 -1.54 -0.00 0.00 0.00 175.22 173.61 2qtm s SER 71 N 1.12 1.27 0.02 1.36 1.04 -0.94 -4.83 113.70 112.75 2qtm s SER 71 Ca 0.01 -1.11 -0.17 0.00 0.48 0.00 0.00 55.95 55.16 2qtm s SER 71 Cb -0.14 0.09 -0.06 0.00 0.10 0.00 0.00 66.02 66.01 2qtm s SER 71 CO -0.02 -0.51 0.48 -0.63 0.98 0.00 0.00 173.24 173.53 2qtm s ILE 72 N -3.60 4.92 -0.29 -1.02 1.01 -1.26 -1.00 121.20 119.96 2qtm s ILE 72 Ca 0.20 1.00 0.01 0.00 0.00 0.00 0.00 60.65 61.85 2qtm s ILE 72 Cb 0.05 -3.79 0.06 0.00 0.01 0.00 0.00 42.46 38.79 2qtm s ILE 72 CO 0.01 0.56 -0.05 0.00 0.00 0.00 0.00 174.94 175.46 2qtm n LEU 74 N 4.52 1.31 -0.01 0.00 7.99 -1.26 -3.73 117.00 125.81 2qtm n LEU 74 Ca -0.13 -0.66 -0.09 0.00 -0.01 0.00 0.00 56.01 55.12 2qtm n LEU 74 Cb 0.43 -0.29 -0.03 0.00 -0.11 0.00 0.00 43.42 43.41 2qtm n LEU 74 CO 0.24 0.26 0.81 -0.08 -1.51 0.00 0.00 177.39 177.10 2qtm h GLU 75 N 0.84 -0.08 0.00 3.23 4.57 -1.93 -1.17 114.58 120.04 2qtm h GLU 75 Ca 0.00 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.12 2qtm h GLU 75 Cb 0.47 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 2qtm h GLU 75 CO 0.04 -0.05 -0.33 0.93 -1.18 0.00 0.00 179.01 178.42 2qtm h GLU 76 N -0.08 0.00 0.00 1.92 5.08 -1.78 -2.28 114.58 117.44 2qtm h GLU 76 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2qtm h GLU 76 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2qtm h GLU 76 CO -0.19 0.33 0.00 -0.07 -1.00 0.00 0.00 179.01 178.09 2qtm h LEU 77 N 0.00 0.00 -1.36 1.33 3.38 -1.58 -3.20 115.31 113.89 2qtm h LEU 77 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2qtm h LEU 77 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2qtm h LEU 77 CO 0.04 0.00 -0.05 0.28 0.09 0.00 0.00 178.44 178.80 2qtm h SER 78 N 0.00 0.00 -2.11 -0.43 0.02 -0.62 -3.44 113.55 106.97 2qtm h SER 78 Ca 0.00 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.35 2qtm h SER 78 Cb 0.59 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.01 2qtm h SER 78 CO 0.00 0.05 -0.70 -0.13 -1.14 0.00 0.00 176.83 174.91 2qtm s ARG 79 N -3.67 1.86 0.55 3.45 1.81 -1.21 -5.13 118.95 116.63 2qtm s ARG 79 Ca 0.01 -1.75 -0.16 0.00 -1.72 0.00 0.00 55.73 52.11 2qtm s ARG 79 Cb 0.09 -1.84 -0.06 0.00 -0.45 0.00 0.00 34.95 32.69 2qtm s ARG 79 CO 0.57 0.27 1.02 -1.59 -0.68 0.00 0.00 175.30 174.89 2qtm s LYS 80 N -3.59 3.64 0.86 3.54 -2.85 -1.26 -4.97 119.74 115.11 2qtm s LYS 80 Ca 0.31 1.07 -0.14 0.00 -1.00 0.00 0.00 55.97 56.22 2qtm s LYS 80 Cb -0.03 -2.08 0.20 0.00 -2.06 0.00 0.00 37.83 33.85 2qtm s LYS 80 CO 0.17 -0.54 1.17 0.41 0.10 0.00 0.00 175.35 176.66 2qtm n GLY 81 N -1.30 -1.33 3.81 0.59 0.00 -1.26 -4.76 105.19 100.93 2qtm n GLY 81 Ca 0.08 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.08 2qtm n GLY 81 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2qtm s PRO 82 N -5.54 1.76 -0.31 1.61 0.02 -1.26 -4.88 135.00 126.40 2qtm s PRO 82 Ca 0.67 0.46 -0.09 0.00 0.02 0.00 0.00 61.00 62.05 2qtm s PRO 82 Cb -0.02 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.60 2qtm s PRO 82 CO 0.47 -1.80 0.14 -1.12 -0.33 0.00 0.00 177.00 174.35 2qtm s SER 83 N -4.03 5.50 -0.11 2.53 0.01 -1.26 -5.06 113.70 111.28 2qtm s SER 83 Ca 0.62 -0.54 -0.19 0.00 1.31 0.00 0.00 55.95 57.15 2qtm s SER 83 Cb -0.14 -1.99 -0.04 0.00 0.21 0.00 0.00 66.02 64.06 2qtm s SER 83 CO 0.53 -0.19 0.51 -0.31 0.41 0.00 0.00 173.24 174.19 2qtm s TYR 84 N 1.60 3.53 0.31 2.43 2.02 -1.26 -4.97 117.35 121.01 2qtm s TYR 84 Ca 0.04 0.95 0.02 0.00 -0.37 0.00 0.00 57.07 57.71 2qtm s TYR 84 Cb -0.17 -2.58 0.56 0.00 -0.40 0.00 0.00 41.96 39.37 2qtm s TYR 84 CO 0.06 0.17 1.90 1.15 -1.57 0.00 0.00 175.55 177.26 2qtm h THR 85 N 4.69 1.03 0.58 -0.71 2.02 -1.98 -2.09 112.91 116.46 2qtm h THR 85 Ca -0.41 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 66.41 2qtm h THR 85 Cb 1.18 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2qtm h THR 85 CO 0.75 0.18 -0.49 0.22 0.37 0.00 0.00 175.52 176.55 2qtm h TYR 86 N 0.99 -1.34 -0.69 3.16 5.03 -1.93 0.32 116.97 122.49 2qtm h TYR 86 Ca 0.40 0.00 0.12 0.00 2.58 0.00 0.00 58.73 61.83 2qtm h TYR 86 Cb 0.27 0.51 -0.09 0.00 1.55 0.00 0.00 36.73 38.98 2qtm h TYR 86 CO -0.00 -0.68 0.27 -0.44 -1.32 0.00 0.00 178.16 175.99 2qtm h ASP 87 N -1.05 0.26 -0.22 -2.11 3.45 -1.89 0.76 116.42 115.61 2qtm h ASP 87 Ca -0.07 0.10 -0.00 0.00 0.43 0.00 0.00 57.03 57.48 2qtm h ASP 87 Cb 0.89 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.72 2qtm h ASP 87 CO -0.01 0.12 0.13 0.74 -1.57 0.00 0.00 179.24 178.65 2qtm h THR 88 N 0.43 1.10 0.00 0.35 2.02 -1.09 -2.30 112.91 113.41 2qtm h THR 88 Ca 0.37 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 2qtm h THR 88 Cb 0.51 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2qtm h THR 88 CO -0.36 0.09 -0.20 0.24 0.37 0.00 0.00 175.52 175.66 2qtm h MET 89 N 0.27 0.00 -0.15 6.66 2.86 0.51 -2.53 114.93 122.54 2qtm h MET 89 Ca 0.08 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2qtm h MET 89 Cb 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2qtm h MET 89 CO -0.01 0.20 0.08 1.25 1.06 0.00 0.00 176.91 179.50 2qtm h LEU 90 N 0.00 0.19 -0.11 1.22 6.46 -0.34 -1.03 115.31 121.71 2qtm h LEU 90 Ca -0.00 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 2qtm h LEU 90 Cb 0.66 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 2qtm h LEU 90 CO 0.03 0.22 0.01 1.56 -0.62 0.00 0.00 178.44 179.64 2qtm h GLN 91 N 0.15 0.19 0.00 1.25 4.20 -1.23 -2.45 115.11 117.21 2qtm h GLN 91 Ca 0.05 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2qtm h GLN 91 Cb 0.07 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 2qtm h GLN 91 CO -0.01 0.40 -0.09 -0.07 -0.67 0.00 0.00 178.83 178.39 2qtm h LEU 92 N -0.05 0.00 -1.00 1.46 3.38 -1.44 -0.33 115.31 117.33 2qtm h LEU 92 Ca 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2qtm h LEU 92 Cb 0.31 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2qtm h LEU 92 CO 0.00 0.09 -0.27 0.74 0.09 0.00 0.00 178.44 179.09 2qtm h THR 93 N 0.00 0.64 0.00 0.22 2.02 -0.79 -0.58 112.91 114.42 2qtm h THR 93 Ca -0.00 -1.27 -0.28 0.00 0.77 0.00 0.00 66.41 65.64 2qtm h THR 93 Cb 0.19 1.84 -0.05 0.00 -1.74 0.00 0.00 68.15 68.38 2qtm h THR 93 CO 0.01 0.26 -1.95 0.29 0.37 0.00 0.00 175.52 174.51 2qtm n LYS 94 N -3.41 0.65 0.08 6.66 5.02 -0.39 -3.69 118.16 123.08 2qtm n LYS 94 Ca 0.00 0.12 -0.14 0.00 -2.02 0.00 0.00 58.31 56.28 2qtm n LYS 94 Cb 0.46 -1.67 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 2qtm n LYS 94 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2qtm h LYS 95 N 0.00 0.36 -2.72 1.97 1.57 -1.07 -3.39 116.57 113.30 2qtm h LYS 95 Ca -0.35 -0.44 -0.61 0.00 -1.87 0.00 0.00 60.65 57.38 2qtm h LYS 95 Cb 1.95 0.14 -0.41 0.00 0.08 0.00 0.00 32.23 33.99 2qtm h LYS 95 CO 0.05 1.13 -0.69 0.66 -0.57 0.00 0.00 179.45 180.03 2qtm n TYR 96 N -3.68 2.23 0.30 -1.35 4.02 -0.23 -4.93 117.16 113.51 2qtm n TYR 96 Ca -0.07 -4.03 0.17 0.00 -0.01 0.00 0.00 57.90 53.96 2qtm n TYR 96 Cb 0.89 -0.41 0.71 0.00 -0.02 0.00 0.00 39.34 40.51 2qtm n TYR 96 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2qtm h PRO 97 N 5.15 0.00 -0.00 -0.72 0.11 -1.76 -2.91 132.00 131.86 2qtm h PRO 97 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2qtm h PRO 97 Cb 0.78 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 2qtm h PRO 97 CO 0.65 0.00 -0.12 -0.40 -0.21 0.00 0.00 178.00 177.92 2qtm n ASP 98 N -2.94 0.55 -4.67 -2.05 5.75 -1.26 -4.89 116.55 107.04 2qtm n ASP 98 Ca 0.00 -0.65 -0.35 0.00 -0.01 0.00 0.00 54.79 53.79 2qtm n ASP 98 Cb 0.26 -0.05 -0.09 0.00 -1.03 0.00 0.00 41.12 40.21 2qtm n ASP 98 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 2qtm s VAL 99 N -2.45 4.56 -0.54 2.12 1.01 -1.10 -0.82 120.40 123.18 2qtm s VAL 99 Ca 0.29 -0.13 -0.15 0.00 0.00 0.00 0.00 61.98 61.99 2qtm s VAL 99 Cb 0.20 -2.99 0.13 0.00 0.00 0.00 0.00 36.38 33.73 2qtm s VAL 99 CO 0.47 0.55 0.48 -1.58 0.00 0.00 0.00 175.10 175.02 2qtm s GLN 100 N -0.32 2.91 0.29 2.72 0.74 0.98 -4.90 119.66 122.08 2qtm s GLN 100 Ca 0.08 -1.74 -0.29 0.00 0.05 0.00 0.00 55.36 53.46 2qtm s GLN 100 Cb -0.12 -4.24 -0.09 0.00 1.10 0.00 0.00 33.01 29.66 2qtm s GLN 100 CO 0.02 -1.31 1.06 -0.06 -0.55 0.00 0.00 175.29 174.46 2qtm s PHE 101 N 1.52 3.61 -0.35 1.67 0.40 -1.26 -3.00 117.98 120.57 2qtm s PHE 101 Ca 0.04 1.73 0.02 0.00 -0.60 0.00 0.00 56.93 58.12 2qtm s PHE 101 Cb -0.29 -3.21 0.10 0.00 0.51 0.00 0.00 43.02 40.13 2qtm s PHE 101 CO 0.02 -0.37 0.07 -1.01 0.70 0.00 0.00 175.22 174.63 2qtm s HIS 102 N -1.23 3.64 -0.29 0.36 3.76 -0.37 -1.50 115.29 119.66 2qtm s HIS 102 Ca 0.45 -2.71 -0.27 0.00 -0.15 0.00 0.00 55.06 52.38 2qtm s HIS 102 Cb -0.30 -2.86 0.01 0.00 1.11 0.00 0.00 32.58 30.54 2qtm s HIS 102 CO 0.38 -0.94 0.95 0.12 -0.85 0.00 0.00 174.74 174.40 2qtm s PHE 103 N 1.01 3.21 -0.18 1.40 5.36 -0.91 -0.13 117.98 127.74 2qtm s PHE 103 Ca 0.07 1.11 -0.14 0.00 -0.96 0.00 0.00 56.93 57.02 2qtm s PHE 103 Cb -0.20 -3.41 -0.05 0.00 -0.34 0.00 0.00 43.02 39.03 2qtm s PHE 103 CO -0.06 -0.62 0.29 0.42 -1.46 0.00 0.00 175.22 173.79 2qtm s ILE 104 N 3.27 5.30 0.08 3.12 1.01 -0.31 -0.32 121.20 133.35 2qtm s ILE 104 Ca 0.40 0.51 0.05 0.00 0.00 0.00 0.00 60.65 61.61 2qtm s ILE 104 Cb -0.14 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 2qtm s ILE 104 CO 0.12 0.35 -0.14 0.27 0.00 0.00 0.00 174.94 175.55 2qtm s ILE 105 N 0.75 1.14 0.63 2.92 -4.36 -0.09 -4.53 121.20 117.66 2qtm s ILE 105 Ca 0.15 -1.43 -0.17 0.00 -0.26 0.00 0.00 60.65 58.95 2qtm s ILE 105 Cb -0.13 -1.20 -0.01 0.00 1.25 0.00 0.00 42.46 42.37 2qtm s ILE 105 CO 0.04 -0.30 1.15 -0.83 0.24 0.00 0.00 174.94 175.24 2qtm s GLY 106 N -1.97 2.41 0.39 6.27 0.00 -1.26 -1.70 107.32 111.48 2qtm s GLY 106 Ca 0.01 0.76 0.19 0.00 0.00 0.00 0.00 44.72 45.68 2qtm s GLY 106 CO 0.02 1.14 1.74 -1.33 0.00 0.00 0.00 173.10 174.67 2qtm h GLY 107 N 0.40 1.33 -0.06 0.20 0.00 -1.49 -1.74 103.07 101.71 2qtm h GLY 107 Ca -0.48 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 46.64 2qtm h GLY 107 CO 0.54 -0.20 0.00 1.22 0.00 0.00 0.00 176.54 178.10 2qtm n ASP 108 N -4.68 1.00 0.07 0.19 8.00 -1.26 -3.35 116.55 116.52 2qtm n ASP 108 Ca 0.27 -1.41 0.07 0.00 0.71 0.00 0.00 54.79 54.43 2qtm n ASP 108 Cb 0.95 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.12 41.99 2qtm n ASP 108 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2qtm n MET 109 N -0.19 0.61 -0.32 -1.24 2.81 -0.66 -4.28 117.12 113.86 2qtm n MET 109 Ca 0.19 0.16 0.17 0.00 -1.81 0.00 0.00 57.70 56.41 2qtm n MET 109 Cb 0.26 -1.82 0.36 0.00 -0.71 0.00 0.00 33.22 31.31 2qtm n MET 109 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2qtm h VAL 110 N 0.00 0.36 0.00 2.03 2.07 -1.63 0.36 116.25 119.44 2qtm h VAL 110 Ca -0.07 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2qtm h VAL 110 Cb 1.24 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2qtm h VAL 110 CO 0.02 0.06 0.00 -1.84 0.02 0.00 0.00 177.57 175.83 2qtm n GLU 111 N -5.10 0.24 -0.06 1.57 0.28 -1.26 -2.88 120.64 113.44 2qtm n GLU 111 Ca 0.25 0.11 0.06 0.00 -0.16 0.00 0.00 57.16 57.42 2qtm n GLU 111 Cb 0.78 -1.50 0.08 0.00 1.43 0.00 0.00 31.44 32.23 2qtm n GLU 111 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2qtm n TYR 112 N -1.30 0.15 0.16 -1.84 4.01 0.13 -4.60 117.16 113.87 2qtm n TYR 112 Ca 0.09 -0.16 0.15 0.00 -0.16 0.00 0.00 57.90 57.81 2qtm n TYR 112 Cb 0.16 -0.01 0.73 0.00 -0.31 0.00 0.00 39.34 39.90 2qtm n TYR 112 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2qtm h LEU 113 N 2.14 0.00 -1.40 7.72 3.38 -1.42 -1.81 115.31 123.93 2qtm h LEU 113 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2qtm h LEU 113 Cb 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2qtm h LEU 113 CO 0.00 0.00 0.22 -0.65 0.09 0.00 0.00 178.44 178.10 2qtm h PRO 114 N 0.00 0.63 0.00 1.13 0.11 -1.84 -2.18 132.00 129.85 2qtm h PRO 114 Ca 0.11 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.15 2qtm h PRO 114 Cb 0.48 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.46 2qtm h PRO 114 CO -0.00 0.49 0.00 1.63 -0.21 0.00 0.00 178.00 179.91 2qtm n LYS 115 N -4.39 0.24 -2.35 1.05 4.01 -0.68 -4.82 118.16 111.21 2qtm n LYS 115 Ca 0.03 0.04 -0.38 0.00 -0.51 0.00 0.00 58.31 57.49 2qtm n LYS 115 Cb 0.12 -1.50 -0.03 0.00 -0.51 0.00 0.00 35.03 33.12 2qtm n LYS 115 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 2qtm s TRP 116 N -2.73 3.14 0.18 2.13 0.52 -0.82 -4.97 118.94 116.39 2qtm s TRP 116 Ca 0.21 1.58 -0.30 0.00 0.02 0.00 0.00 56.10 57.60 2qtm s TRP 116 Cb 0.18 -3.34 -0.08 0.00 -1.15 0.00 0.00 33.47 29.07 2qtm s TRP 116 CO 0.44 -1.14 1.31 -0.47 0.02 0.00 0.00 176.95 177.11 2qtm s TYR 117 N -1.44 3.27 -1.36 -1.98 6.14 -1.26 -3.42 117.35 117.30 2qtm s TYR 117 Ca 0.56 1.19 -0.05 0.00 0.64 0.00 0.00 57.07 59.41 2qtm s TYR 117 Cb -0.29 -3.60 0.03 0.00 0.42 0.00 0.00 41.96 38.52 2qtm s TYR 117 CO 0.37 -1.90 0.38 0.09 0.64 0.00 0.00 175.55 175.12 2qtm n ASN 118 N 2.87 -4.70 -0.18 4.32 5.03 -1.26 -4.61 115.26 116.72 2qtm n ASN 118 Ca 0.07 -0.19 0.13 0.00 0.87 0.00 0.00 54.58 55.46 2qtm n ASN 118 Cb 0.43 -3.87 0.46 0.00 -1.02 0.00 0.00 39.78 35.78 2qtm n ASN 118 CO 0.00 0.00 0.00 0.40 -1.83 0.00 0.00 177.26 175.83 2qtm h ILE 119 N -0.80 0.83 -0.52 2.41 5.03 -1.87 0.08 117.51 122.67 2qtm h ILE 119 Ca -0.44 -0.17 -0.09 0.00 -0.12 0.00 0.00 64.86 64.04 2qtm h ILE 119 Cb 1.30 0.28 -0.02 0.00 -3.03 0.00 0.00 36.82 35.35 2qtm h ILE 119 CO 0.51 0.09 -0.01 -0.33 -0.68 0.00 0.00 178.15 177.72 2qtm h GLU 120 N 0.51 0.92 -0.15 2.37 3.07 -1.91 -0.80 114.58 118.59 2qtm h GLU 120 Ca 0.38 -0.30 -0.18 0.00 -0.50 0.00 0.00 59.36 58.75 2qtm h GLU 120 Cb 0.74 -0.08 -0.00 0.00 -0.84 0.00 0.00 28.75 28.57 2qtm h GLU 120 CO -0.13 0.95 -0.66 0.00 -1.40 0.00 0.00 179.01 177.77 2qtm h ALA 121 N 0.94 0.56 -0.77 3.43 0.00 -1.71 -3.05 119.26 118.66 2qtm h ALA 121 Ca 0.14 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2qtm h ALA 121 Cb 0.54 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2qtm h ALA 121 CO 0.03 0.71 0.48 1.25 0.00 0.00 0.00 179.25 181.72 2qtm h LEU 122 N 0.42 0.90 -0.43 0.00 5.85 -0.81 -0.58 115.31 120.66 2qtm h LEU 122 Ca -0.02 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.66 2qtm h LEU 122 Cb 1.23 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.04 2qtm h LEU 122 CO 0.12 0.68 0.00 0.18 -0.34 0.00 0.00 178.44 179.08 2qtm n LEU 123 N -4.40 0.27 0.08 2.25 4.77 -0.32 -1.85 117.00 117.80 2qtm n LEU 123 Ca 0.08 0.59 -0.23 0.00 -0.03 0.00 0.00 56.01 56.42 2qtm n LEU 123 Cb 0.05 -0.58 -0.15 0.00 -2.33 0.00 0.00 43.42 40.41 2qtm n LEU 123 CO 0.37 -0.52 -0.47 0.44 -1.33 0.00 0.00 177.39 175.88 2qtm h ASP 124 N 0.00 0.63 -0.20 -1.43 3.32 -1.15 -3.38 116.42 114.21 2qtm h ASP 124 Ca 0.00 -0.93 -0.05 0.00 0.02 0.00 0.00 57.03 56.07 2qtm h ASP 124 Cb 0.17 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2qtm h ASP 124 CO 0.00 1.76 -0.06 -0.07 -1.72 0.00 0.00 179.24 179.14 2qtm h LEU 125 N 0.07 0.41 -9.07 1.55 3.38 -1.24 -3.47 115.31 106.94 2qtm h LEU 125 Ca -0.33 -0.38 -0.44 0.00 0.09 0.00 0.00 57.88 56.83 2qtm h LEU 125 Cb 2.07 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 42.57 2qtm h LEU 125 CO 0.18 0.70 -0.64 0.68 0.09 0.00 0.00 178.44 179.45 2qtm s VAL 126 N -4.70 1.20 -0.28 1.22 -7.23 -0.77 -4.70 120.40 105.13 2qtm s VAL 126 Ca -0.14 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 57.93 2qtm s VAL 126 Cb 0.06 -2.55 0.01 0.00 0.56 0.00 0.00 36.38 34.46 2qtm s VAL 126 CO 0.75 -0.18 0.06 0.28 -0.31 0.00 0.00 175.10 175.70 2qtm s THR 127 N -3.30 3.83 0.23 5.32 -1.32 -0.56 -4.52 115.64 115.32 2qtm s THR 127 Ca 0.32 -0.70 -0.30 0.00 -1.21 0.00 0.00 61.69 59.81 2qtm s THR 127 Cb 0.07 -2.96 -0.09 0.00 -1.51 0.00 0.00 72.50 68.01 2qtm s THR 127 CO 0.12 0.12 1.22 -0.36 -2.21 0.00 0.00 174.62 173.52 2qtm s PHE 128 N 1.48 3.36 -0.19 9.09 0.40 -1.26 -2.14 117.98 128.72 2qtm s PHE 128 Ca 0.03 1.42 0.01 0.00 -0.60 0.00 0.00 56.93 57.79 2qtm s PHE 128 Cb -0.17 -3.49 0.03 0.00 0.51 0.00 0.00 43.02 39.91 2qtm s PHE 128 CO 0.01 -1.36 -0.16 0.08 0.70 0.00 0.00 175.22 174.50 2qtm s VAL 129 N -0.36 1.92 -0.15 -0.44 1.01 0.56 -1.23 120.40 121.71 2qtm s VAL 129 Ca 0.52 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 2qtm s VAL 129 Cb -0.35 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.15 2qtm s VAL 129 CO 0.40 0.36 0.13 -0.83 0.00 0.00 0.00 175.10 175.16 2qtm s GLY 130 N 1.31 2.09 -0.22 4.51 0.00 0.26 -0.91 107.32 114.36 2qtm s GLY 130 Ca 0.01 -0.67 -0.10 0.00 0.00 0.00 0.00 44.72 43.96 2qtm s GLY 130 CO -0.10 -0.17 0.14 0.14 0.00 0.00 0.00 173.10 173.11 2qtm s VAL 131 N -0.43 5.35 0.05 1.40 1.01 -0.69 -1.64 120.40 125.45 2qtm s VAL 131 Ca 0.12 0.17 -0.00 0.00 0.00 0.00 0.00 61.98 62.27 2qtm s VAL 131 Cb -0.12 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 2qtm s VAL 131 CO 0.01 0.40 -0.04 0.00 0.00 0.00 0.00 175.10 175.47 2qtm s ALA 132 N 0.67 0.48 0.64 5.51 0.00 -0.97 -1.10 121.76 126.99 2qtm s ALA 132 Ca 0.08 -1.02 -0.13 0.00 0.00 0.00 0.00 51.96 50.88 2qtm s ALA 132 Cb -0.12 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.18 2qtm s ALA 132 CO 0.01 -0.26 1.06 1.03 0.00 0.00 0.00 175.76 177.60 2qtm s ARG 133 N -3.03 3.13 -0.00 0.00 0.52 -1.25 0.15 118.95 118.46 2qtm s ARG 133 Ca -0.00 1.09 -0.39 0.00 -0.52 0.00 0.00 55.73 55.92 2qtm s ARG 133 Cb 0.01 -2.01 -0.18 0.00 0.52 0.00 0.00 34.95 33.29 2qtm s ARG 133 CO -0.06 -0.95 1.28 -2.30 0.02 0.00 0.00 175.30 173.29 2qtm n PRO 134 N -2.54 0.66 0.00 3.54 -0.02 -1.26 -1.63 135.00 133.75 2qtm n PRO 134 Ca 0.08 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 2qtm n PRO 134 Cb 0.53 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2qtm n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qtm n GLY 135 N 2.34 2.24 3.73 -1.23 0.00 -1.26 -4.97 105.19 106.03 2qtm n GLY 135 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2qtm n GLY 135 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qtm s TYR 136 N 0.00 3.41 -0.12 1.61 1.51 -0.65 -5.02 117.35 118.10 2qtm s TYR 136 Ca 0.00 1.32 -0.05 0.00 -1.01 0.00 0.00 57.07 57.33 2qtm s TYR 136 Cb 0.00 -3.46 -0.04 0.00 -0.11 0.00 0.00 41.96 38.36 2qtm s TYR 136 CO 0.00 -1.38 0.07 0.21 -1.11 0.00 0.00 175.55 173.34 2qtm s LYS 137 N 0.43 3.33 -0.13 -0.62 2.47 -1.26 -4.59 119.74 119.37 2qtm s LYS 137 Ca 0.57 -0.29 -0.22 0.00 -1.56 0.00 0.00 55.97 54.47 2qtm s LYS 137 Cb -0.32 -3.02 -0.03 0.00 -1.46 0.00 0.00 37.83 33.00 2qtm s LYS 137 CO 0.33 0.66 0.66 -0.51 0.16 0.00 0.00 175.35 176.65 2qtm s LEU 138 N -0.73 4.24 -0.15 5.43 1.43 -1.26 -5.05 118.68 122.59 2qtm s LEU 138 Ca 0.12 1.02 -0.02 0.00 -1.03 0.00 0.00 54.13 54.22 2qtm s LEU 138 Cb -0.12 -2.99 -0.02 0.00 0.03 0.00 0.00 46.19 43.09 2qtm s LEU 138 CO 0.03 -0.19 -0.07 0.00 0.23 0.00 0.00 176.35 176.35 2qtm s ARG 139 N 1.30 3.57 -0.16 1.70 1.70 -1.26 -5.07 118.95 120.73 2qtm s ARG 139 Ca 0.33 -0.58 -0.30 0.00 -0.47 0.00 0.00 55.73 54.71 2qtm s ARG 139 Cb -0.17 -2.82 0.13 0.00 -0.57 0.00 0.00 34.95 31.53 2qtm s ARG 139 CO 0.14 0.23 1.02 -0.08 -1.08 0.00 0.00 175.30 175.53 2qtm s THR 140 N 0.37 0.00 -1.49 4.99 -1.32 -1.26 -4.75 115.64 112.18 2qtm s THR 140 Ca -0.06 0.00 0.28 0.00 -1.21 0.00 0.00 61.69 60.70 2qtm s THR 140 Cb -0.15 -1.00 0.38 0.00 -1.51 0.00 0.00 72.50 70.23 2qtm s THR 140 CO 0.04 0.00 1.83 -0.81 -2.21 0.00 0.00 174.62 173.47 2qtm n PRO 141 N 0.60 0.52 -3.41 7.08 -0.04 -1.26 -4.85 135.00 133.64 2qtm n PRO 141 Ca -0.09 -0.17 -0.34 0.00 -0.04 0.00 0.00 63.50 62.86 2qtm n PRO 141 Cb 0.58 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 2qtm n PRO 141 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2qtm s TYR 142 N -2.60 3.53 0.06 0.54 1.51 -1.26 -5.02 117.35 114.12 2qtm s TYR 142 Ca 0.25 0.94 -0.31 0.00 -1.01 0.00 0.00 57.07 56.95 2qtm s TYR 142 Cb 0.20 -2.29 -0.07 0.00 -0.11 0.00 0.00 41.96 39.68 2qtm s TYR 142 CO 0.50 0.38 1.46 -1.25 -1.11 0.00 0.00 175.55 175.53 2qtm s PRO 143 N -2.30 4.27 0.03 -1.71 0.04 -1.26 -4.98 135.00 129.09 2qtm s PRO 143 Ca 0.41 2.10 -0.00 0.00 0.04 0.00 0.00 61.00 63.55 2qtm s PRO 143 Cb -0.13 -3.45 -0.02 0.00 0.04 0.00 0.00 34.50 30.93 2qtm s PRO 143 CO 0.20 -0.57 -0.03 0.42 0.04 0.00 0.00 177.00 177.07 2qtm s ILE 144 N 1.96 0.13 -0.18 0.56 1.01 -1.26 -4.59 121.20 118.83 2qtm s ILE 144 Ca 0.67 -1.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.17 2qtm s ILE 144 Cb -0.36 -0.48 -0.04 0.00 0.01 0.00 0.00 42.46 41.59 2qtm s ILE 144 CO 0.29 -0.58 0.10 -0.89 0.00 0.00 0.00 174.94 173.86 2qtm s THR 145 N -1.88 5.15 -0.06 2.92 2.01 -0.37 -4.93 115.64 118.48 2qtm s THR 145 Ca -0.12 0.09 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 2qtm s THR 145 Cb -0.07 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 69.09 2qtm s THR 145 CO -0.03 0.48 0.12 -0.89 -0.69 0.00 0.00 174.62 173.62 2qtm s THR 146 N 0.10 5.15 -0.13 -0.82 2.01 -1.26 0.91 115.64 121.59 2qtm s THR 146 Ca 0.07 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.95 2qtm s THR 146 Cb -0.12 -3.31 0.05 0.00 0.01 0.00 0.00 72.50 69.13 2qtm s THR 146 CO -0.00 0.47 0.03 -0.69 -0.69 0.00 0.00 174.62 173.74 2qtm s VAL 147 N -1.13 0.34 0.13 3.82 1.01 -0.65 -4.93 120.40 118.98 2qtm s VAL 147 Ca 0.20 -0.17 -0.31 0.00 0.00 0.00 0.00 61.98 61.70 2qtm s VAL 147 Cb -0.12 -0.71 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 2qtm s VAL 147 CO 0.10 -0.00 1.52 -1.61 0.00 0.00 0.00 175.10 175.10 2qtm s GLU 148 N 1.96 4.25 -0.03 2.72 2.02 -1.26 -2.29 118.70 126.08 2qtm s GLU 148 Ca 0.02 2.25 -0.02 0.00 0.02 0.00 0.00 54.97 57.24 2qtm s GLU 148 Cb -0.15 -3.26 0.01 0.00 0.10 0.00 0.00 34.13 30.84 2qtm s GLU 148 CO -0.07 -0.57 0.07 0.42 0.02 0.00 0.00 175.26 175.13 2qtm s ILE 149 N 1.38 -0.01 -1.10 -1.63 1.09 0.39 -4.90 121.20 116.42 2qtm s ILE 149 Ca 0.69 0.05 -0.23 0.00 -1.10 0.00 0.00 60.65 60.06 2qtm s ILE 149 Cb -0.41 -0.11 -0.03 0.00 -1.06 0.00 0.00 42.46 40.85 2qtm s ILE 149 CO 0.31 0.02 1.85 -2.16 -0.10 0.00 0.00 174.94 174.86 2qtm s PRO 150 N 0.32 2.88 0.35 2.79 0.04 -1.26 -3.90 135.00 136.21 2qtm s PRO 150 Ca -0.02 -1.03 -0.28 0.00 0.04 0.00 0.00 61.00 59.70 2qtm s PRO 150 Cb -0.04 -5.25 -0.11 0.00 0.04 0.00 0.00 34.50 29.15 2qtm s PRO 150 CO -0.01 -3.32 1.38 -2.00 0.04 0.00 0.00 177.00 173.09 2qtm s GLU 151 N 6.10 4.26 -0.34 4.56 2.12 -1.26 -5.01 118.70 129.13 2qtm s GLU 151 Ca 0.64 2.36 -0.06 0.00 0.36 0.00 0.00 54.97 58.27 2qtm s GLU 151 Cb -0.02 -3.03 0.04 0.00 0.26 0.00 0.00 34.13 31.38 2qtm s GLU 151 CO 0.05 -0.33 0.10 0.12 -0.54 0.00 0.00 175.26 174.66 2qtm s PHE 152 N -1.11 3.25 0.00 5.30 5.99 -1.26 -5.01 117.98 125.14 2qtm s PHE 152 Ca 0.51 -1.45 0.00 0.00 0.00 0.00 0.00 56.93 55.99 2qtm s PHE 152 Cb -0.42 -2.26 0.00 0.00 0.00 0.00 0.00 43.02 40.33 2qtm s PHE 152 CO 0.57 -0.73 1.39 0.00 -0.00 0.00 0.00 175.22 176.45 2qtm n ALA 153 N 4.80 3.17 -2.64 11.12 0.00 -1.26 -4.76 120.51 130.93 2qtm n ALA 153 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.02 2qtm n ALA 153 Cb 0.45 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.75 2qtm n ALA 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qtm s VAL 154 N 0.27 5.12 0.08 0.00 0.11 -1.26 -5.11 120.40 119.61 2qtm s VAL 154 Ca 0.00 -0.06 -0.09 0.00 -2.93 0.00 0.00 61.98 58.90 2qtm s VAL 154 Cb 0.00 -3.69 -0.00 0.00 -1.53 0.00 0.00 36.38 31.16 2qtm s VAL 154 CO 0.00 -0.14 0.19 -0.94 -3.33 0.00 0.00 175.10 170.88 2qtm s SER 155 N -2.87 0.11 0.39 3.54 1.04 -1.26 -4.80 113.70 109.85 2qtm s SER 155 Ca 0.41 -0.61 0.07 0.00 0.48 0.00 0.00 55.95 56.30 2qtm s SER 155 Cb -0.11 0.33 0.78 0.00 0.10 0.00 0.00 66.02 67.12 2qtm s SER 155 CO 0.27 -0.70 1.98 0.28 0.98 0.00 0.00 173.24 176.05 2qtm h SER 156 N 2.86 0.42 -0.35 7.02 0.02 -1.87 -1.28 113.55 120.37 2qtm h SER 156 Ca -0.34 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.43 2qtm h SER 156 Cb 1.20 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 2qtm h SER 156 CO 0.55 0.41 -0.31 0.28 -1.14 0.00 0.00 176.83 176.62 2qtm h SER 157 N 0.47 0.88 -0.42 3.07 0.02 -1.93 0.10 113.55 115.74 2qtm h SER 157 Ca 0.12 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.59 2qtm h SER 157 Cb 0.13 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 2qtm h SER 157 CO -0.01 1.16 0.19 0.25 -1.14 0.00 0.00 176.83 177.28 2qtm h LEU 158 N 0.62 0.56 -1.01 5.07 6.46 -1.89 -1.54 115.31 123.58 2qtm h LEU 158 Ca 0.06 -0.14 -0.05 0.00 -0.12 0.00 0.00 57.88 57.63 2qtm h LEU 158 Cb 0.89 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.65 2qtm h LEU 158 CO 0.08 0.55 0.15 -0.07 -0.62 0.00 0.00 178.44 178.52 2qtm h LEU 159 N 0.54 0.80 -0.26 2.25 3.38 -1.01 -1.01 115.31 120.00 2qtm h LEU 159 Ca 0.14 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2qtm h LEU 159 Cb 0.14 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2qtm h LEU 159 CO -0.02 0.78 -0.00 0.03 0.09 0.00 0.00 178.44 179.32 2qtm h ARG 160 N 0.83 0.45 -0.49 1.13 3.08 -0.48 -1.79 114.38 117.11 2qtm h ARG 160 Ca 0.18 -0.15 0.06 0.00 0.07 0.00 0.00 59.98 60.15 2qtm h ARG 160 Cb 0.29 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 2qtm h ARG 160 CO -0.00 0.62 0.18 0.93 -1.07 0.00 0.00 179.97 180.63 2qtm h GLU 161 N 0.23 0.35 -0.01 0.04 5.08 -1.07 -2.24 114.58 116.96 2qtm h GLU 161 Ca 0.07 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 2qtm h GLU 161 Cb 0.42 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2qtm h GLU 161 CO 0.01 0.23 -0.27 0.00 -1.00 0.00 0.00 179.01 177.99 2qtm h ARG 162 N 0.36 0.02 -0.01 2.33 3.08 -1.01 -0.51 114.38 118.64 2qtm h ARG 162 Ca 0.23 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.11 2qtm h ARG 162 Cb 0.23 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2qtm h ARG 162 CO -0.23 0.29 -0.74 1.88 -1.07 0.00 0.00 179.97 180.11 2qtm h TYR 163 N 0.02 0.10 0.01 3.04 -1.99 -0.73 0.24 116.97 117.66 2qtm h TYR 163 Ca 0.00 -0.05 -0.03 0.00 2.00 0.00 0.00 58.73 60.65 2qtm h TYR 163 Cb 0.49 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.20 2qtm h TYR 163 CO 0.00 0.78 -0.11 1.57 -0.00 0.00 0.00 178.16 180.40 2qtm h LYS 164 N 0.05 0.06 0.00 4.88 2.10 -1.14 -3.08 116.57 119.44 2qtm h LYS 164 Ca -0.01 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2qtm h LYS 164 Cb 1.30 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.65 2qtm h LYS 164 CO 0.10 0.90 0.00 0.39 -2.00 0.00 0.00 179.45 178.84 2qtm n GLU 165 N -4.60 0.41 -3.34 0.07 1.02 -0.24 -4.81 120.64 109.15 2qtm n GLU 165 Ca -0.10 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.80 2qtm n GLU 165 Cb 0.46 -1.26 0.03 0.00 -0.02 0.00 0.00 31.44 30.65 2qtm n GLU 165 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2qtm n LYS 166 N -0.76 -4.93 -1.96 3.49 4.76 -0.95 -4.98 118.16 112.83 2qtm n LYS 166 Ca 0.05 0.72 -0.21 0.00 -2.87 0.00 0.00 58.31 56.00 2qtm n LYS 166 Cb 0.02 -5.57 0.13 0.00 -1.84 0.00 0.00 35.03 27.77 2qtm n LYS 166 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2qtm n LYS 167 N -4.17 -0.42 -2.83 1.97 5.02 0.79 -5.03 118.16 113.48 2qtm n LYS 167 Ca -0.04 -2.02 -0.37 0.00 -2.02 0.00 0.00 58.31 53.85 2qtm n LYS 167 Cb 0.57 -0.78 -0.06 0.00 -0.02 0.00 0.00 35.03 34.74 2qtm n LYS 167 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2qtm s THR 168 N -2.87 4.25 -0.01 -0.18 -1.32 -1.26 -4.78 115.64 109.47 2qtm s THR 168 Ca 0.58 1.77 0.02 0.00 -1.21 0.00 0.00 61.69 62.84 2qtm s THR 168 Cb -0.02 -4.02 0.03 0.00 -1.51 0.00 0.00 72.50 66.98 2qtm s THR 168 CO 0.39 0.19 0.84 0.00 -2.21 0.00 0.00 174.62 173.83 2qtm n LYS 170 N -0.38 2.36 -0.52 0.00 4.81 -1.26 -1.59 118.16 121.58 2qtm n LYS 170 Ca 0.02 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.30 2qtm n LYS 170 Cb 0.41 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 32.89 2qtm n LYS 170 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2qtm n TYR 171 N 2.23 0.00 0.13 5.64 0.53 -1.26 -4.84 117.16 119.59 2qtm n TYR 171 Ca 0.11 0.00 -0.24 0.00 -1.02 0.00 0.00 57.90 56.75 2qtm n TYR 171 Cb 0.34 -0.78 -0.16 0.00 -1.03 0.00 0.00 39.34 37.71 2qtm n TYR 171 CO 0.00 0.00 0.00 -0.07 -1.02 0.00 0.00 176.86 175.77 2qtm h LEU 172 N 0.00 0.78 -8.09 7.72 3.38 -1.70 -3.47 115.31 113.94 2qtm h LEU 172 Ca 0.00 -0.89 -0.11 0.00 0.09 0.00 0.00 57.88 56.96 2qtm h LEU 172 Cb 0.00 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 40.36 2qtm h LEU 172 CO 0.00 1.71 -0.42 -1.48 0.09 0.00 0.00 178.44 178.34 2qtm s LEU 173 N -7.51 1.33 0.20 1.67 2.34 -1.26 -2.32 118.68 113.14 2qtm s LEU 173 Ca -0.10 -0.88 -0.32 0.00 0.06 0.00 0.00 54.13 52.88 2qtm s LEU 173 Cb 0.04 0.92 -0.15 0.00 -0.56 0.00 0.00 46.19 46.45 2qtm s LEU 173 CO 0.93 -0.80 1.32 -2.65 -1.06 0.00 0.00 176.35 174.09 2qtm n PRO 174 N -0.13 1.65 -0.23 1.48 -0.02 -1.26 -4.82 135.00 131.67 2qtm n PRO 174 Ca -0.09 0.59 0.02 0.00 -2.02 0.00 0.00 63.50 62.00 2qtm n PRO 174 Cb 0.63 -2.19 0.14 0.00 -0.02 0.00 0.00 33.50 32.06 2qtm n PRO 174 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2qtm h GLU 175 N 4.07 0.40 -0.57 -0.52 5.08 -1.99 -0.23 114.58 120.82 2qtm h GLU 175 Ca -0.44 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 57.97 2qtm h GLU 175 Cb 1.30 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2qtm h GLU 175 CO 0.75 0.27 0.38 0.87 -1.00 0.00 0.00 179.01 180.28 2qtm h LYS 176 N 0.42 0.45 -0.17 2.33 1.57 -1.94 0.02 116.57 119.24 2qtm h LYS 176 Ca 0.36 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.94 2qtm h LYS 176 Cb 0.50 -0.10 0.01 0.00 0.08 0.00 0.00 32.23 32.71 2qtm h LYS 176 CO -0.36 0.30 -0.55 0.28 -0.57 0.00 0.00 179.45 178.54 2qtm h VAL 177 N 0.46 1.32 -0.59 0.50 2.07 -1.43 -2.39 116.25 116.19 2qtm h VAL 177 Ca 0.26 -1.79 0.02 0.00 0.82 0.00 0.00 66.70 66.00 2qtm h VAL 177 Cb 0.41 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2qtm h VAL 177 CO -0.07 0.56 0.38 1.56 0.02 0.00 0.00 177.57 180.01 2qtm h GLN 178 N 0.36 0.73 -0.44 1.57 4.20 -0.01 0.18 115.11 121.70 2qtm h GLN 178 Ca -0.02 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2qtm h GLN 178 Cb 1.18 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 2qtm h GLN 178 CO 0.12 0.48 0.29 0.28 -0.67 0.00 0.00 178.83 179.33 2qtm h VAL 179 N 0.75 1.12 -0.39 -0.54 2.07 -1.04 -1.54 116.25 116.68 2qtm h VAL 179 Ca 0.23 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.58 2qtm h VAL 179 Cb -0.03 0.48 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 2qtm h VAL 179 CO -0.08 0.11 0.13 0.22 0.02 0.00 0.00 177.57 177.98 2qtm h TYR 180 N 0.59 0.24 -0.53 1.57 3.20 -0.82 -0.13 116.97 121.09 2qtm h TYR 180 Ca 0.16 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.09 2qtm h TYR 180 Cb -0.06 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 2qtm h TYR 180 CO -0.04 0.09 0.29 0.82 -1.64 0.00 0.00 178.16 177.68 2qtm h ILE 181 N 0.29 1.00 -0.15 1.81 2.04 -0.52 -2.56 117.51 119.42 2qtm h ILE 181 Ca 0.18 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 2qtm h ILE 181 Cb 0.16 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 2qtm h ILE 181 CO -0.18 0.10 -0.18 1.05 0.00 0.00 0.00 178.15 178.95 2qtm h GLU 182 N 0.57 0.39 -0.71 2.37 -0.00 -0.96 0.12 114.58 116.36 2qtm h GLU 182 Ca 0.22 -0.21 0.16 0.00 -0.00 0.00 0.00 59.36 59.53 2qtm h GLU 182 Cb 0.09 0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 28.81 2qtm h GLU 182 CO -0.13 0.78 0.48 0.00 -0.00 0.00 0.00 179.01 180.14 2qtm h ARG 183 N 0.02 0.30 -0.02 1.06 3.08 -0.93 -1.17 114.38 116.71 2qtm h ARG 183 Ca 0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qtm h ARG 183 Cb 0.72 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.70 2qtm h ARG 183 CO 0.04 0.20 -0.05 0.09 -1.07 0.00 0.00 179.97 179.18 2qtm n ASN 184 N -4.45 2.28 -3.77 7.04 4.13 -0.97 -5.01 115.26 114.52 2qtm n ASN 184 Ca 0.14 -1.64 -0.27 0.00 1.68 0.00 0.00 54.58 54.49 2qtm n ASN 184 Cb 0.57 0.07 0.05 0.00 -1.54 0.00 0.00 39.78 38.93 2qtm n ASN 184 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qtm n GLY 185 N 0.98 -0.51 3.79 7.41 0.00 0.35 -4.97 105.19 112.24 2qtm n GLY 185 Ca 0.09 0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 2qtm n GLY 185 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qtm s LEU 186 N -7.25 3.98 0.00 0.99 1.43 -0.69 -4.25 118.68 112.89 2qtm s LEU 186 Ca 0.59 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 2qtm s LEU 186 Cb -0.28 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 41.56 2qtm s LEU 186 CO 0.79 -0.66 0.00 -1.22 0.23 0.00 0.00 176.35 175.49 2qtm n TYR 187 N -0.54 0.00 0.00 0.29 4.01 -1.26 -4.65 117.16 115.00 2qtm n TYR 187 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2qtm n TYR 187 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 2qtm n TYR 187 CO 0.00 0.00 0.00 -0.85 -0.46 0.00 0.00 176.86 175.55 2qtm n GLU 188 N 0.00 1.52 -0.54 -0.72 0.28 -1.26 -4.14 120.64 115.78 2qtm n GLU 188 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2qtm n GLU 188 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2qtm n GLU 188 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40