#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qka s HIS 2 N 0.00 2.57 0.11 5.58 3.76 -1.26 -5.13 115.29 120.91 2qka s HIS 2 Ca 0.00 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 2qka s HIS 2 Cb 0.00 -1.54 -0.04 0.00 1.11 0.00 0.00 32.58 32.11 2qka s HIS 2 CO 0.00 0.16 -0.08 -1.54 -0.85 0.00 0.00 174.74 172.43 2qka s SER 3 N -0.95 1.35 -0.17 1.40 1.04 -1.26 -4.95 113.70 110.17 2qka s SER 3 Ca 0.12 -0.96 -0.29 0.00 0.48 0.00 0.00 55.95 55.30 2qka s SER 3 Cb -0.10 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.05 2qka s SER 3 CO 0.02 -0.39 1.27 -0.22 0.98 0.00 0.00 173.24 174.91 2qka s LEU 4 N -2.92 4.18 0.44 2.42 2.96 -1.26 -5.00 118.68 119.50 2qka s LEU 4 Ca 0.11 1.70 -0.23 0.00 -0.22 0.00 0.00 54.13 55.49 2qka s LEU 4 Cb 0.03 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 43.10 2qka s LEU 4 CO -0.02 -0.77 1.08 -2.16 -1.32 0.00 0.00 176.35 173.15 2qka s PRO 5 N 3.53 3.95 0.48 0.98 0.04 -1.26 -5.00 135.00 137.72 2qka s PRO 5 Ca 0.55 1.55 -0.21 0.00 0.04 0.00 0.00 61.00 62.93 2qka s PRO 5 Cb -0.22 -2.39 -0.08 0.00 0.04 0.00 0.00 34.50 31.85 2qka s PRO 5 CO 0.15 -0.33 1.07 -0.51 0.04 0.00 0.00 177.00 177.42 2qka s ASP 6 N -1.61 6.28 0.30 6.66 1.01 -1.26 -4.99 116.67 123.05 2qka s ASP 6 Ca 0.62 2.04 -0.29 0.00 0.71 0.00 0.00 52.55 55.63 2qka s ASP 6 Cb -0.22 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.04 2qka s ASP 6 CO 0.28 -0.83 1.09 -0.22 0.21 0.00 0.00 175.17 175.70 2qka s LEU 7 N -3.33 4.49 0.00 1.23 2.96 -1.26 -4.91 118.68 117.86 2qka s LEU 7 Ca 0.66 2.23 0.03 0.00 -0.22 0.00 0.00 54.13 56.82 2qka s LEU 7 Cb -0.20 -3.71 0.16 0.00 0.50 0.00 0.00 46.19 42.93 2qka s LEU 7 CO 0.24 -0.19 1.00 -0.81 -1.32 0.00 0.00 176.35 175.27 2qka n PRO 8 N 1.00 0.89 -3.87 0.98 -0.04 -1.26 -4.83 135.00 127.87 2qka n PRO 8 Ca -0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.38 2qka n PRO 8 Cb 0.46 -1.05 -0.01 0.00 -0.04 0.00 0.00 33.50 32.86 2qka n PRO 8 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2qka s TYR 9 N -2.00 -0.04 0.50 0.54 -0.85 -1.26 -5.09 117.35 109.15 2qka s TYR 9 Ca 0.04 -0.45 -0.20 0.00 -0.52 0.00 0.00 57.07 55.94 2qka s TYR 9 Cb 0.02 0.67 -0.07 0.00 0.38 0.00 0.00 41.96 42.96 2qka s TYR 9 CO 0.03 -1.29 1.08 0.34 -1.52 0.00 0.00 175.55 174.19 2qka s ASP 10 N -2.97 6.11 0.52 -0.18 2.15 -1.26 -4.93 116.67 116.11 2qka s ASP 10 Ca 0.13 2.04 0.25 0.00 0.43 0.00 0.00 52.55 55.40 2qka s ASP 10 Cb -0.05 -2.57 1.37 0.00 -0.30 0.00 0.00 42.92 41.37 2qka s ASP 10 CO 0.08 -0.94 1.99 1.88 -0.17 0.00 0.00 175.17 178.01 2qka h TYR 11 N 1.46 0.04 -0.31 -5.34 0.05 -1.96 -0.79 116.97 110.11 2qka h TYR 11 Ca -0.50 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.28 2qka h TYR 11 Cb 1.24 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.97 2qka h TYR 11 CO 0.55 0.01 0.00 0.41 -1.05 0.00 0.00 178.16 178.08 2qka n GLY 12 N -1.64 1.21 0.31 3.88 0.00 -1.26 -4.04 105.19 103.65 2qka n GLY 12 Ca 0.10 -0.62 0.19 0.00 0.00 0.00 0.00 46.02 45.69 2qka n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qka h ALA 13 N 4.34 1.11 -0.35 4.61 0.00 -1.49 -2.72 119.26 124.76 2qka h ALA 13 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2qka h ALA 13 Cb 0.80 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 2qka h ALA 13 CO 0.00 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.56 2qka n LEU 14 N -3.27 2.94 -4.75 0.00 4.77 -1.26 -4.49 117.00 110.94 2qka n LEU 14 Ca -0.02 -1.28 -0.38 0.00 -0.03 0.00 0.00 56.01 54.31 2qka n LEU 14 Cb 0.15 -0.22 0.03 0.00 -2.33 0.00 0.00 43.42 41.05 2qka n LEU 14 CO 0.24 0.64 0.92 -1.61 -1.33 0.00 0.00 177.39 176.25 2qka s GLU 15 N -1.55 3.25 0.00 3.23 0.41 -1.03 -1.71 118.70 121.30 2qka s GLU 15 Ca 0.37 2.05 0.23 0.00 -0.41 0.00 0.00 54.97 57.21 2qka s GLU 15 Cb 0.21 -2.23 0.78 0.00 -1.78 0.00 0.00 34.13 31.11 2qka s GLU 15 CO 0.30 -1.04 1.58 -0.35 -0.49 0.00 0.00 175.26 175.25 2qka n PRO 16 N -1.01 1.81 -0.21 0.39 -0.04 -1.26 -4.88 135.00 129.80 2qka n PRO 16 Ca 0.10 -1.21 -0.08 0.00 -0.04 0.00 0.00 63.50 62.28 2qka n PRO 16 Cb 0.47 -1.43 0.03 0.00 -0.04 0.00 0.00 33.50 32.52 2qka n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2qka h HIS 17 N 2.59 0.95 -3.23 0.54 3.86 -1.68 -3.40 115.15 114.78 2qka h HIS 17 Ca 0.00 -0.09 -0.46 0.00 -1.16 0.00 0.00 60.37 58.67 2qka h HIS 17 Cb 0.56 -0.28 -0.39 0.00 1.06 0.00 0.00 27.41 28.36 2qka h HIS 17 CO 0.08 0.78 -0.76 0.42 0.86 0.00 0.00 177.93 179.31 2qka s ILE 18 N -5.46 0.29 0.72 2.45 1.01 -0.99 -4.80 121.20 114.42 2qka s ILE 18 Ca -0.13 -0.10 -0.12 0.00 0.00 0.00 0.00 60.65 60.30 2qka s ILE 18 Cb 0.13 -0.65 0.03 0.00 0.01 0.00 0.00 42.46 41.98 2qka s ILE 18 CO 0.80 0.02 1.10 0.54 0.00 0.00 0.00 174.94 177.40 2qka s ASN 19 N 1.99 4.79 0.33 3.58 2.20 -1.26 -3.35 114.94 123.22 2qka s ASN 19 Ca 0.03 1.89 0.04 0.00 -0.94 0.00 0.00 52.86 53.88 2qka s ASN 19 Cb -0.14 -2.53 0.67 0.00 -2.00 0.00 0.00 41.25 37.24 2qka s ASN 19 CO -0.06 -1.84 1.91 0.00 -2.94 0.00 0.00 177.10 174.16 2qka h ALA 20 N -0.63 1.65 -0.71 3.54 0.00 -1.88 -2.57 119.26 118.66 2qka h ALA 20 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2qka h ALA 20 Cb 1.24 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2qka h ALA 20 CO 0.53 0.18 0.36 0.37 0.00 0.00 0.00 179.25 180.69 2qka h GLN 21 N 0.86 1.01 -0.13 0.00 4.15 -1.92 -0.23 115.11 118.85 2qka h GLN 21 Ca 0.39 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 2qka h GLN 21 Cb 0.39 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 2qka h GLN 21 CO -0.16 0.78 0.03 0.82 -1.93 0.00 0.00 178.83 178.37 2qka h ILE 22 N 0.99 1.20 -0.86 2.39 2.04 -1.85 -1.60 117.51 119.82 2qka h ILE 22 Ca 0.25 -0.64 0.03 0.00 1.00 0.00 0.00 64.86 65.49 2qka h ILE 22 Cb 0.09 1.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 2qka h ILE 22 CO -0.03 0.19 0.56 0.24 0.00 0.00 0.00 178.15 179.11 2qka h MET 23 N 0.00 1.08 -0.20 2.37 2.86 -1.23 0.25 114.93 120.06 2qka h MET 23 Ca 0.04 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 2qka h MET 23 Cb 0.27 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2qka h MET 23 CO 0.00 0.71 0.01 0.37 1.06 0.00 0.00 176.91 179.07 2qka h GLN 24 N 1.11 0.34 -0.18 1.72 4.15 -0.94 -1.73 115.11 119.58 2qka h GLN 24 Ca 0.34 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.63 2qka h GLN 24 Cb -0.04 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 2qka h GLN 24 CO -0.10 0.52 0.01 -0.07 -1.93 0.00 0.00 178.83 177.26 2qka h LEU 25 N 0.12 0.31 -0.55 -2.39 3.38 -1.03 -0.72 115.31 114.42 2qka h LEU 25 Ca 0.06 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.79 2qka h LEU 25 Cb 0.36 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.97 2qka h LEU 25 CO 0.01 0.53 0.26 -0.74 0.09 0.00 0.00 178.44 178.59 2qka h HIS 26 N 0.08 0.47 0.02 1.13 2.76 -0.49 -0.73 115.15 118.39 2qka h HIS 26 Ca 0.05 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2qka h HIS 26 Cb 0.37 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.19 2qka h HIS 26 CO 0.03 0.21 -0.01 1.25 -1.30 0.00 0.00 177.93 178.11 2qka h HIS 27 N 0.50 -0.02 0.00 5.26 -0.00 -1.32 -1.10 115.15 118.47 2qka h HIS 27 Ca 0.25 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.62 2qka h HIS 27 Cb 0.20 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 2qka h HIS 27 CO -0.12 0.09 0.00 0.66 -0.00 0.00 0.00 177.93 178.57 2qka h SER 28 N -1.00 0.00 0.00 3.26 4.64 -1.20 -2.93 113.55 116.31 2qka h SER 28 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qka h SER 28 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2qka h SER 28 CO 0.00 0.00 -0.30 0.29 -0.87 0.00 0.00 176.83 175.96 2qka n LYS 29 N -2.65 0.16 0.41 4.77 4.76 -0.35 -4.49 118.16 120.77 2qka n LYS 29 Ca 0.03 0.06 -0.18 0.00 -2.87 0.00 0.00 58.31 55.35 2qka n LYS 29 Cb 0.36 -0.69 -0.09 0.00 -1.84 0.00 0.00 35.03 32.77 2qka n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2qka h HIS 30 N -0.30 -0.97 -0.75 2.13 3.86 -1.37 -1.76 115.15 115.98 2qka h HIS 30 Ca 0.00 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 2qka h HIS 30 Cb 0.30 0.32 -0.04 0.00 1.06 0.00 0.00 27.41 29.05 2qka h HIS 30 CO -0.13 -0.59 0.39 1.25 0.86 0.00 0.00 177.93 179.71 2qka h HIS 31 N -1.16 1.05 -0.70 2.45 -0.00 -1.23 -2.68 115.15 112.88 2qka h HIS 31 Ca -0.11 -0.04 0.03 0.00 -0.00 0.00 0.00 60.37 60.26 2qka h HIS 31 Cb 0.82 -0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 27.85 2qka h HIS 31 CO -0.01 0.75 0.44 0.00 -0.00 0.00 0.00 177.93 179.12 2qka h ALA 32 N 1.20 0.92 -0.43 5.26 0.00 -1.52 -1.89 119.26 122.79 2qka h ALA 32 Ca 0.26 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2qka h ALA 32 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2qka h ALA 32 CO -0.04 0.21 0.26 0.00 0.00 0.00 0.00 179.25 179.69 2qka h ALA 33 N 1.30 0.55 -0.74 0.00 0.00 -1.05 -1.82 119.26 117.50 2qka h ALA 33 Ca 0.28 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2qka h ALA 33 Cb 0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 2qka h ALA 33 CO -0.11 0.04 0.47 1.88 0.00 0.00 0.00 179.25 181.53 2qka h TYR 34 N 0.57 0.88 -0.16 0.00 0.99 -1.11 0.72 116.97 118.87 2qka h TYR 34 Ca 0.16 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.90 2qka h TYR 34 Cb -0.01 -0.29 -0.01 0.00 1.00 0.00 0.00 36.73 37.42 2qka h TYR 34 CO -0.03 0.51 0.05 0.28 -0.00 0.00 0.00 178.16 178.97 2qka h VAL 35 N 0.93 1.17 -0.50 -2.88 2.07 -1.10 1.00 116.25 116.94 2qka h VAL 35 Ca 0.30 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2qka h VAL 35 Cb 0.00 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 2qka h VAL 35 CO -0.11 0.16 0.26 0.78 0.02 0.00 0.00 177.57 178.69 2qka h ASN 36 N 0.08 0.63 -0.22 0.57 2.35 -1.06 -1.51 115.58 116.43 2qka h ASN 36 Ca 0.05 -0.10 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 2qka h ASN 36 Cb 0.21 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2qka h ASN 36 CO -0.00 0.56 -0.11 0.78 -1.65 0.00 0.00 177.43 177.00 2qka h ASN 37 N 0.66 0.59 -0.29 5.81 -0.26 -0.75 -2.52 115.58 118.82 2qka h ASN 37 Ca 0.17 -0.16 -0.01 0.00 -0.56 0.00 0.00 56.30 55.74 2qka h ASN 37 Cb 0.07 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 2qka h ASN 37 CO -0.03 0.74 0.13 0.25 -1.06 0.00 0.00 177.43 177.46 2qka h LEU 38 N 0.56 0.39 -0.81 1.61 5.85 -0.39 -0.73 115.31 121.79 2qka h LEU 38 Ca 0.10 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 2qka h LEU 38 Cb 0.52 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 2qka h LEU 38 CO 0.03 0.43 0.43 0.78 -0.34 0.00 0.00 178.44 179.77 2qka h ASN 39 N 0.32 1.03 -0.52 1.25 2.35 -1.10 -0.65 115.58 118.25 2qka h ASN 39 Ca 0.10 -0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 2qka h ASN 39 Cb 0.15 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2qka h ASN 39 CO -0.01 0.84 0.18 0.58 -1.65 0.00 0.00 177.43 177.37 2qka h VAL 40 N 1.13 1.23 -0.43 2.81 2.07 -1.26 -2.64 116.25 119.16 2qka h VAL 40 Ca 0.28 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 2qka h VAL 40 Cb 0.05 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2qka h VAL 40 CO -0.04 0.28 0.06 0.74 0.02 0.00 0.00 177.57 178.62 2qka h THR 41 N 0.71 1.25 -0.44 2.57 2.02 -0.70 -2.62 112.91 115.69 2qka h THR 41 Ca 0.17 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.40 2qka h THR 41 Cb 0.25 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2qka h THR 41 CO -0.01 0.32 0.13 -0.33 0.37 0.00 0.00 175.52 176.00 2qka h GLU 42 N 0.58 0.64 -0.55 6.66 5.08 -1.08 -0.70 114.58 125.21 2qka h GLU 42 Ca 0.13 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 2qka h GLU 42 Cb 0.40 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2qka h GLU 42 CO 0.01 0.57 0.06 1.49 -1.00 0.00 0.00 179.01 180.14 2qka h GLU 43 N 0.63 0.92 -0.59 2.33 4.81 -1.32 -0.58 114.58 120.79 2qka h GLU 43 Ca 0.15 -0.26 -0.07 0.00 -0.13 0.00 0.00 59.36 59.05 2qka h GLU 43 Cb 0.20 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 2qka h GLU 43 CO -0.01 0.91 0.10 0.87 -0.73 0.00 0.00 179.01 180.15 2qka h LYS 44 N 0.81 0.94 -0.39 1.92 1.57 -1.05 -2.58 116.57 117.79 2qka h LYS 44 Ca 0.16 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 2qka h LYS 44 Cb 0.45 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2qka h LYS 44 CO 0.02 0.87 -0.20 -0.92 -0.57 0.00 0.00 179.45 178.64 2qka h TYR 45 N 0.89 0.84 -0.91 -1.35 5.03 -0.77 -1.13 116.97 119.58 2qka h TYR 45 Ca 0.18 -0.18 0.01 0.00 2.58 0.00 0.00 58.73 61.32 2qka h TYR 45 Cb 0.38 -0.20 -0.04 0.00 1.55 0.00 0.00 36.73 38.42 2qka h TYR 45 CO 0.02 0.88 0.59 0.37 -1.32 0.00 0.00 178.16 178.71 2qka h GLN 46 N 0.66 1.20 -0.29 1.82 5.75 -0.80 0.16 115.11 123.61 2qka h GLN 46 Ca 0.10 -0.08 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 2qka h GLN 46 Cb 0.70 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 2qka h GLN 46 CO 0.05 0.81 -0.08 0.93 -2.65 0.00 0.00 178.83 177.89 2qka h GLU 47 N 1.23 0.57 -0.42 1.69 5.08 -1.10 -0.57 114.58 121.06 2qka h GLU 47 Ca 0.33 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2qka h GLU 47 Cb -0.12 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2qka h GLU 47 CO -0.07 0.77 0.23 0.00 -1.00 0.00 0.00 179.01 178.94 2qka h ALA 48 N 0.78 0.53 -0.69 3.43 0.00 -0.79 -2.73 119.26 119.79 2qka h ALA 48 Ca 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2qka h ALA 48 Cb 0.57 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2qka h ALA 48 CO 0.03 0.06 0.23 1.25 0.00 0.00 0.00 179.25 180.82 2qka h LEU 49 N 0.54 0.99 -1.41 0.00 5.85 -0.64 -0.39 115.31 120.25 2qka h LEU 49 Ca 0.15 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.69 2qka h LEU 49 Cb 0.06 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2qka h LEU 49 CO -0.02 0.93 0.42 0.00 -0.34 0.00 0.00 178.44 179.42 2qka h ALA 50 N 1.10 1.63 -0.61 1.25 0.00 -0.81 -2.23 119.26 119.59 2qka h ALA 50 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qka h ALA 50 Cb 0.28 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2qka h ALA 50 CO -0.01 0.32 0.00 0.36 0.00 0.00 0.00 179.25 179.92 2qka n LYS 51 N -4.46 3.42 -2.05 0.00 2.85 -1.06 -4.95 118.16 111.91 2qka n LYS 51 Ca 0.07 -2.76 -0.18 0.00 -1.05 0.00 0.00 58.31 54.39 2qka n LYS 51 Cb 0.11 -1.77 -0.03 0.00 -0.65 0.00 0.00 35.03 32.69 2qka n LYS 51 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2qka n GLY 52 N 1.05 0.39 3.56 2.58 0.00 -0.84 -4.92 105.19 107.01 2qka n GLY 52 Ca 0.24 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2qka n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qka s ASP 53 N -2.41 6.38 0.19 1.61 -1.08 -0.20 -4.83 116.67 116.32 2qka s ASP 53 Ca 0.00 -1.18 -0.08 0.00 -0.52 0.00 0.00 52.55 50.77 2qka s ASP 53 Cb 0.00 -2.57 0.10 0.00 -1.46 0.00 0.00 42.92 38.99 2qka s ASP 53 CO 0.00 -1.63 1.66 0.58 0.52 0.00 0.00 175.17 176.30 2qka h VAL 54 N 6.63 1.26 -0.41 1.11 2.07 -1.91 -2.35 116.25 122.64 2qka h VAL 54 Ca 0.08 -1.13 0.02 0.00 0.82 0.00 0.00 66.70 66.49 2qka h VAL 54 Cb 1.02 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2qka h VAL 54 CO 1.39 0.41 0.23 0.74 0.02 0.00 0.00 177.57 180.36 2qka h THR 55 N 0.97 1.02 -0.73 2.57 2.02 -1.98 -1.32 112.91 115.46 2qka h THR 55 Ca 0.18 -0.16 -0.05 0.00 0.77 0.00 0.00 66.41 67.14 2qka h THR 55 Cb 0.54 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2qka h THR 55 CO 0.03 0.08 0.25 0.00 0.37 0.00 0.00 175.52 176.25 2qka h ALA 56 N 1.20 1.06 -0.48 6.16 0.00 -1.93 -1.23 119.26 124.04 2qka h ALA 56 Ca 0.17 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qka h ALA 56 Cb 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2qka h ALA 56 CO -0.09 0.65 0.29 1.96 0.00 0.00 0.00 179.25 182.05 2qka h GLN 57 N 1.08 0.66 -0.46 0.00 4.20 -0.91 -2.32 115.11 117.37 2qka h GLN 57 Ca 0.24 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.76 2qka h GLN 57 Cb 0.27 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 2qka h GLN 57 CO -0.01 0.49 -0.23 0.82 -0.67 0.00 0.00 178.83 179.22 2qka h ILE 58 N 0.65 1.27 0.00 2.54 2.04 -1.00 -2.92 117.51 120.08 2qka h ILE 58 Ca 0.17 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.62 2qka h ILE 58 Cb 0.00 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2qka h ILE 58 CO -0.03 0.48 -0.12 0.00 0.00 0.00 0.00 178.15 178.47 2qka h ALA 59 N 0.90 1.40 -0.00 1.87 0.00 -1.03 -2.35 119.26 120.05 2qka h ALA 59 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2qka h ALA 59 Cb 0.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2qka h ALA 59 CO 0.07 0.15 -0.29 1.28 0.00 0.00 0.00 179.25 180.46 2qka n LEU 60 N -3.81 0.42 -0.19 0.00 4.77 -0.89 -4.39 117.00 112.90 2qka n LEU 60 Ca -0.02 0.10 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 2qka n LEU 60 Cb 0.22 -0.29 0.08 0.00 -2.33 0.00 0.00 43.42 41.10 2qka n LEU 60 CO 0.31 0.09 1.01 1.56 -1.33 0.00 0.00 177.39 179.04 2qka h GLN 61 N 0.19 0.46 -0.60 3.23 4.20 -1.34 -1.50 115.11 119.75 2qka h GLN 61 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2qka h GLN 61 Cb 0.48 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2qka h GLN 61 CO 0.00 0.31 0.38 -1.35 -0.67 0.00 0.00 178.83 177.50 2qka h PRO 62 N 0.48 0.80 -0.58 1.46 0.11 -1.80 -0.41 132.00 132.07 2qka h PRO 62 Ca 0.27 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.22 2qka h PRO 62 Cb 0.26 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.17 2qka h PRO 62 CO -0.23 0.55 -0.04 0.00 -0.21 0.00 0.00 178.00 178.07 2qka h ALA 63 N 1.20 0.78 -0.57 -0.75 0.00 -1.78 -1.13 119.26 117.02 2qka h ALA 63 Ca 0.22 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2qka h ALA 63 Cb -0.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2qka h ALA 63 CO -0.04 0.65 -0.08 1.25 0.00 0.00 0.00 179.25 181.03 2qka h LEU 64 N 0.94 1.05 -0.21 0.00 6.46 -0.98 -1.12 115.31 121.44 2qka h LEU 64 Ca 0.16 -0.34 -0.05 0.00 -0.12 0.00 0.00 57.88 57.53 2qka h LEU 64 Cb 0.60 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 2qka h LEU 64 CO 0.04 1.14 -0.06 0.50 -0.62 0.00 0.00 178.44 179.44 2qka h LYS 65 N 0.94 0.42 -0.10 1.25 3.64 -0.94 0.43 116.57 122.22 2qka h LYS 65 Ca 0.15 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 2qka h LYS 65 Cb 0.65 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2qka h LYS 65 CO 0.05 0.67 0.03 0.00 -2.27 0.00 0.00 179.45 177.93 2qka h ALA 66 N 0.74 0.13 0.13 5.00 0.00 -1.16 0.24 119.26 124.33 2qka h ALA 66 Ca 0.05 -0.11 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 2qka h ALA 66 Cb 0.52 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.30 2qka h ALA 66 CO 0.02 -0.27 -1.24 -0.91 0.00 0.00 0.00 179.25 176.85 2qka h ASN 67 N -0.02 0.76 -0.28 0.00 2.35 -1.25 0.52 115.58 117.65 2qka h ASN 67 Ca 0.03 -0.72 -0.04 0.00 -0.55 0.00 0.00 56.30 55.02 2qka h ASN 67 Cb 0.19 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2qka h ASN 67 CO -0.00 1.54 0.01 1.23 -1.65 0.00 0.00 177.43 178.56 2qka h GLY 68 N 0.61 0.53 1.09 2.83 0.00 -0.19 -1.88 103.07 106.06 2qka h GLY 68 Ca -0.18 -0.38 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 2qka h GLY 68 CO 0.23 0.35 0.09 -1.33 0.00 0.00 0.00 176.54 175.88 2qka h GLY 69 N 0.29 1.20 0.65 4.60 0.00 -0.58 -1.81 103.07 107.42 2qka h GLY 69 Ca 0.08 -0.81 0.06 0.00 0.00 0.00 0.00 47.33 46.66 2qka h GLY 69 CO 0.01 0.75 0.34 -1.33 0.00 0.00 0.00 176.54 176.31 2qka h GLY 70 N 1.04 0.92 0.72 4.60 0.00 -0.69 0.12 103.07 109.78 2qka h GLY 70 Ca 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2qka h GLY 70 CO 0.02 0.13 -0.04 0.84 0.00 0.00 0.00 176.54 177.49 2qka h HIS 71 N 0.62 -0.09 0.17 5.60 6.17 -1.13 -2.45 115.15 124.03 2qka h HIS 71 Ca 0.29 -0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.37 2qka h HIS 71 Cb 0.21 0.03 -0.02 0.00 2.52 0.00 0.00 27.41 30.15 2qka h HIS 71 CO -0.09 0.20 -0.20 0.82 0.71 0.00 0.00 177.93 179.36 2qka h ILE 72 N -0.38 0.55 -0.18 6.26 2.04 -1.07 -1.10 117.51 123.63 2qka h ILE 72 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.88 2qka h ILE 72 Cb 0.33 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 2qka h ILE 72 CO 0.02 0.00 0.02 0.78 0.00 0.00 0.00 178.15 178.96 2qka h ASN 73 N -0.42 -0.03 0.12 1.72 2.35 -0.82 -2.40 115.58 116.10 2qka h ASN 73 Ca 0.01 0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.67 2qka h ASN 73 Cb 0.41 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 2qka h ASN 73 CO -0.07 0.01 -0.43 0.45 -1.65 0.00 0.00 177.43 175.74 2qka h HIS 74 N 0.08 0.46 -0.58 1.19 3.86 -1.41 -1.31 115.15 117.44 2qka h HIS 74 Ca 0.08 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2qka h HIS 74 Cb 0.09 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 2qka h HIS 74 CO -0.15 0.75 0.39 0.77 0.86 0.00 0.00 177.93 180.55 2qka h SER 75 N 0.32 0.67 -0.35 2.45 0.02 -0.97 -1.71 113.55 113.99 2qka h SER 75 Ca 0.03 -0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 2qka h SER 75 Cb 0.88 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 2qka h SER 75 CO 0.07 0.49 -0.21 0.40 -1.14 0.00 0.00 176.83 176.44 2qka h ILE 76 N 0.79 1.29 -0.48 3.27 2.04 -1.33 -3.23 117.51 119.86 2qka h ILE 76 Ca 0.21 -1.35 0.08 0.00 1.00 0.00 0.00 64.86 64.81 2qka h ILE 76 Cb -0.09 1.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.33 2qka h ILE 76 CO -0.05 0.44 0.09 0.15 0.00 0.00 0.00 178.15 178.78 2qka h PHE 77 N 0.54 0.14 -0.79 1.37 3.57 -0.77 -1.68 116.94 119.31 2qka h PHE 77 Ca 0.07 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.64 2qka h PHE 77 Cb 0.77 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.47 2qka h PHE 77 CO 0.06 -0.01 0.52 -1.49 -2.23 0.00 0.00 178.31 175.16 2qka h TRP 78 N 0.22 0.92 0.00 0.41 -0.00 -1.35 -0.87 115.95 115.28 2qka h TRP 78 Ca 0.24 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.15 2qka h TRP 78 Cb 0.32 -0.31 0.00 0.00 -0.00 0.00 0.00 29.16 29.17 2qka h TRP 78 CO -0.23 0.52 0.00 1.79 -0.00 0.00 0.00 178.44 180.52 2qka h THR 79 N 0.94 0.00 0.00 1.49 1.35 -1.41 -3.07 112.91 112.21 2qka h THR 79 Ca 0.32 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2qka h THR 79 Cb 0.10 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2qka h THR 79 CO -0.10 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.76 2qka n ASN 80 N -2.88 0.00 -4.57 5.36 5.03 -0.34 -4.74 115.26 113.12 2qka n ASN 80 Ca 0.03 0.49 -0.27 0.00 0.87 0.00 0.00 54.58 55.70 2qka n ASN 80 Cb 0.44 -0.50 -0.09 0.00 -1.02 0.00 0.00 39.78 38.61 2qka n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2qka s LEU 81 N -2.99 2.98 -0.27 3.41 1.43 -1.15 0.38 118.68 122.47 2qka s LEU 81 Ca 0.14 -0.54 -0.25 0.00 -1.03 0.00 0.00 54.13 52.45 2qka s LEU 81 Cb 0.19 -1.69 0.09 0.00 0.03 0.00 0.00 46.19 44.80 2qka s LEU 81 CO 0.52 0.12 0.83 -0.55 0.23 0.00 0.00 176.35 177.50 2qka s SER 82 N -2.70 -0.64 0.38 2.29 0.15 -0.24 -4.67 113.70 108.26 2qka s SER 82 Ca 0.24 1.22 0.27 0.00 0.70 0.00 0.00 55.95 58.38 2qka s SER 82 Cb -0.09 1.23 1.30 0.00 -1.71 0.00 0.00 66.02 66.74 2qka s SER 82 CO 0.15 -0.23 1.82 1.55 1.20 0.00 0.00 173.24 177.73 2qka h PRO 83 N 4.64 0.00 -0.54 5.44 0.13 -1.86 -0.44 132.00 139.37 2qka h PRO 83 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2qka h PRO 83 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2qka h PRO 83 CO 0.08 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.94 2qka n ASN 84 N -2.48 3.99 -2.53 1.44 3.02 -1.26 -4.98 115.26 112.46 2qka n ASN 84 Ca -0.00 -2.30 0.00 0.00 -0.03 0.00 0.00 54.58 52.25 2qka n ASN 84 Cb 0.15 -0.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.86 2qka n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qka n GLY 85 N 0.87 -0.11 0.38 7.41 0.00 -0.17 -5.01 105.19 108.56 2qka n GLY 85 Ca 0.21 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2qka n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qka n GLY 86 N 5.00 -3.42 7.00 -0.02 0.00 0.48 -4.67 105.19 109.56 2qka n GLY 86 Ca 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.08 2qka n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qka n GLY 87 N -0.24 -0.22 3.34 -0.02 0.00 -1.26 -4.81 105.19 101.98 2qka n GLY 87 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 46.02 44.76 2qka n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qka s GLU 88 N 0.00 1.29 0.94 1.61 2.02 -1.26 -5.03 118.70 118.28 2qka s GLU 88 Ca 0.00 -1.44 -0.14 0.00 0.02 0.00 0.00 54.97 53.41 2qka s GLU 88 Cb 0.00 -1.33 0.16 0.00 0.10 0.00 0.00 34.13 33.06 2qka s GLU 88 CO 0.00 0.26 1.17 -1.25 0.02 0.00 0.00 175.26 175.47 2qka s PRO 89 N -2.91 0.89 0.32 0.39 0.04 -1.26 -5.02 135.00 127.45 2qka s PRO 89 Ca 0.17 0.10 0.06 0.00 0.04 0.00 0.00 61.00 61.37 2qka s PRO 89 Cb -0.05 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 2qka s PRO 89 CO 0.07 -2.33 0.25 -1.59 0.04 0.00 0.00 177.00 173.44 2qka s LYS 90 N -5.44 1.70 3.82 4.56 0.00 -1.26 -4.69 119.74 118.43 2qka s LYS 90 Ca 0.66 -1.98 0.00 0.00 0.00 0.00 0.00 55.97 54.65 2qka s LYS 90 Cb -0.12 0.25 0.00 0.00 0.00 0.00 0.00 37.83 37.96 2qka s LYS 90 CO 0.53 -0.61 0.00 0.41 0.00 0.00 0.00 175.35 175.68 2qka n GLY 91 N -0.60 0.70 0.37 0.59 0.00 -1.26 -3.53 105.19 101.46 2qka n GLY 91 Ca 0.06 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.35 2qka n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qka h GLU 92 N 0.00 1.06 -0.22 1.61 5.08 -1.99 -2.59 114.58 117.53 2qka h GLU 92 Ca 0.00 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2qka h GLU 92 Cb 0.00 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 2qka h GLU 92 CO 0.00 0.70 0.05 1.25 -1.00 0.00 0.00 179.01 180.01 2qka h LEU 93 N 1.10 0.03 -0.73 1.33 5.85 -1.96 0.18 115.31 121.10 2qka h LEU 93 Ca 0.38 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.18 2qka h LEU 93 Cb 0.10 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 2qka h LEU 93 CO -0.13 0.05 0.44 0.25 -0.34 0.00 0.00 178.44 178.71 2qka h LEU 94 N 0.14 0.69 -0.44 2.25 5.85 -1.52 -0.09 115.31 122.20 2qka h LEU 94 Ca 0.10 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 2qka h LEU 94 Cb 0.09 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2qka h LEU 94 CO -0.12 0.45 0.13 -0.33 -0.34 0.00 0.00 178.44 178.24 2qka h GLU 95 N 0.82 0.68 -0.95 1.25 5.08 -1.02 -0.71 114.58 119.73 2qka h GLU 95 Ca 0.32 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2qka h GLU 95 Cb 0.13 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 2qka h GLU 95 CO -0.16 0.66 0.63 0.00 -1.00 0.00 0.00 179.01 179.15 2qka h ALA 96 N 0.99 1.21 -0.40 3.43 0.00 -0.09 0.15 119.26 124.55 2qka h ALA 96 Ca 0.14 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2qka h ALA 96 Cb 0.27 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2qka h ALA 96 CO -0.00 0.59 -0.00 0.82 0.00 0.00 0.00 179.25 180.65 2qka h ILE 97 N 1.28 1.26 -0.70 0.00 2.04 -0.69 0.46 117.51 121.17 2qka h ILE 97 Ca 0.35 -1.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.14 2qka h ILE 97 Cb -0.13 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2qka h ILE 97 CO -0.08 0.34 0.19 0.11 0.00 0.00 0.00 178.15 178.71 2qka h LYS 98 N 0.53 1.10 -0.40 2.37 1.57 -0.69 0.20 116.57 121.25 2qka h LYS 98 Ca 0.11 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.58 2qka h LYS 98 Cb 0.48 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2qka h LYS 98 CO 0.02 0.97 0.04 -0.09 -0.57 0.00 0.00 179.45 179.82 2qka h ARG 99 N 1.04 0.69 0.00 3.15 1.12 -0.50 0.24 114.38 120.11 2qka h ARG 99 Ca 0.22 -0.20 -0.08 0.00 -1.11 0.00 0.00 59.98 58.81 2qka h ARG 99 Cb 0.35 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.22 2qka h ARG 99 CO -0.00 0.75 -1.20 -0.25 -3.11 0.00 0.00 179.97 176.16 2qka n ASP 100 N -4.49 0.86 0.00 -3.80 8.00 0.13 -4.47 116.55 112.79 2qka n ASP 100 Ca -0.01 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.85 2qka n ASP 100 Cb 0.26 0.30 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 2qka n ASP 100 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2qka n PHE 101 N -2.78 0.00 0.00 1.24 3.72 0.70 -5.03 117.46 115.31 2qka n PHE 101 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2qka n PHE 101 Cb 0.69 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.23 2qka n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qka n GLY 102 N 0.31 2.66 3.84 1.37 0.00 0.07 -4.51 105.19 108.93 2qka n GLY 102 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 2qka n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qka s SER 103 N 0.00 -0.26 0.14 1.61 1.04 -1.26 -4.73 113.70 110.24 2qka s SER 103 Ca 0.00 -0.60 -0.14 0.00 0.48 0.00 0.00 55.95 55.69 2qka s SER 103 Cb 0.00 0.72 0.01 0.00 0.10 0.00 0.00 66.02 66.85 2qka s SER 103 CO 0.00 -1.33 1.61 0.15 0.98 0.00 0.00 173.24 174.65 2qka h PHE 104 N 2.01 0.83 -0.81 5.02 3.57 -1.91 -2.22 116.94 123.44 2qka h PHE 104 Ca -0.20 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.15 2qka h PHE 104 Cb 1.25 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 2qka h PHE 104 CO 0.42 0.79 0.42 -0.44 -2.23 0.00 0.00 178.31 177.27 2qka h ASP 105 N 0.63 1.02 -0.14 0.41 3.32 -1.96 -0.37 116.42 119.34 2qka h ASP 105 Ca 0.14 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 2qka h ASP 105 Cb 0.43 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2qka h ASP 105 CO 0.01 0.84 -0.22 0.11 -1.72 0.00 0.00 179.24 178.27 2qka h LYS 106 N 1.14 0.57 -0.11 3.56 1.57 -1.82 -1.04 116.57 120.43 2qka h LYS 106 Ca 0.28 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2qka h LYS 106 Cb 0.07 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 2qka h LYS 106 CO -0.04 0.75 0.04 0.35 -0.57 0.00 0.00 179.45 179.98 2qka h PHE 107 N 0.51 0.18 -0.70 -1.35 3.57 -0.73 -0.00 116.94 118.41 2qka h PHE 107 Ca 0.08 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.62 2qka h PHE 107 Cb 0.66 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 2qka h PHE 107 CO 0.03 0.29 0.40 0.87 -2.23 0.00 0.00 178.31 177.67 2qka h LYS 108 N 0.01 0.71 -0.27 1.11 1.57 -0.85 -0.31 116.57 118.54 2qka h LYS 108 Ca 0.04 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qka h LYS 108 Cb 0.20 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2qka h LYS 108 CO -0.00 0.47 0.16 1.49 -0.57 0.00 0.00 179.45 181.00 2qka h GLU 109 N 0.73 0.37 -0.32 3.15 4.81 -0.92 0.20 114.58 122.61 2qka h GLU 109 Ca 0.32 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.49 2qka h GLU 109 Cb 0.20 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 2qka h GLU 109 CO -0.19 0.30 0.13 0.87 -0.73 0.00 0.00 179.01 179.40 2qka h LYS 110 N 0.34 0.47 -0.34 1.92 1.79 -0.38 -0.84 116.57 119.54 2qka h LYS 110 Ca 0.10 -0.08 -0.11 0.00 -2.18 0.00 0.00 60.65 58.37 2qka h LYS 110 Cb 0.03 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.59 2qka h LYS 110 CO -0.02 0.48 -0.25 1.25 -1.08 0.00 0.00 179.45 179.83 2qka h LEU 111 N 0.37 0.69 -0.29 2.94 5.85 -0.99 -1.80 115.31 122.08 2qka h LEU 111 Ca 0.11 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2qka h LEU 111 Cb 0.18 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2qka h LEU 111 CO -0.01 0.91 0.10 0.74 -0.34 0.00 0.00 178.44 179.84 2qka h THR 112 N 0.59 1.20 -0.58 1.05 2.02 -0.79 -1.36 112.91 115.03 2qka h THR 112 Ca 0.08 -0.62 0.01 0.00 0.77 0.00 0.00 66.41 66.64 2qka h THR 112 Cb 0.73 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 2qka h THR 112 CO 0.06 0.21 0.38 0.00 0.37 0.00 0.00 175.52 176.54 2qka h ALA 113 N 0.93 0.74 -0.62 6.16 0.00 -1.01 -0.00 119.26 125.46 2qka h ALA 113 Ca 0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2qka h ALA 113 Cb 0.23 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2qka h ALA 113 CO -0.00 0.18 0.18 0.00 0.00 0.00 0.00 179.25 179.60 2qka h ALA 114 N 1.21 1.15 -0.14 0.00 0.00 -1.19 -1.10 119.26 119.18 2qka h ALA 114 Ca 0.21 -0.21 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 2qka h ALA 114 Cb -0.09 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.47 2qka h ALA 114 CO -0.05 0.58 -0.65 0.77 0.00 0.00 0.00 179.25 179.91 2qka h SER 115 N 0.91 0.82 0.78 0.00 0.02 -0.71 -3.18 113.55 112.19 2qka h SER 115 Ca 0.20 -0.63 -0.09 0.00 -0.84 0.00 0.00 61.79 60.44 2qka h SER 115 Cb 0.28 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2qka h SER 115 CO -0.01 1.31 -0.42 0.58 -1.14 0.00 0.00 176.83 177.15 2qka h VAL 116 N 0.38 1.01 0.00 2.27 2.07 -0.95 -3.12 116.25 117.90 2qka h VAL 116 Ca -0.04 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2qka h VAL 116 Cb 1.28 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 2qka h VAL 116 CO 0.14 0.41 0.00 0.61 0.02 0.00 0.00 177.57 178.75 2qka n GLY 117 N 0.21 -1.39 3.67 2.17 0.00 -0.43 -4.81 105.19 104.61 2qka n GLY 117 Ca -0.00 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 2qka n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qka s VAL 118 N -3.09 2.90 -0.31 1.61 1.01 -1.18 -4.94 120.40 116.40 2qka s VAL 118 Ca 0.10 0.11 -0.20 0.00 0.00 0.00 0.00 61.98 61.98 2qka s VAL 118 Cb 0.13 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 2qka s VAL 118 CO 0.46 -0.01 0.63 -1.10 0.00 0.00 0.00 175.10 175.08 2qka s GLN 119 N 3.73 3.90 1.21 2.72 -1.52 -1.26 -4.84 119.66 123.60 2qka s GLN 119 Ca 0.84 0.30 0.00 0.00 -1.95 0.00 0.00 55.36 54.55 2qka s GLN 119 Cb -0.43 -3.73 0.00 0.00 -0.22 0.00 0.00 33.01 28.63 2qka s GLN 119 CO 0.38 -0.57 0.00 0.41 -0.25 0.00 0.00 175.29 175.26 2qka n GLY 120 N 4.42 0.30 3.87 3.09 0.00 -1.26 -4.91 105.19 110.71 2qka n GLY 120 Ca -0.01 -1.49 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 2qka n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qka s SER 121 N -4.00 6.60 0.00 1.61 0.01 -1.26 -4.83 113.70 111.83 2qka s SER 121 Ca 0.00 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.01 2qka s SER 121 Cb 0.00 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.07 2qka s SER 121 CO 0.00 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.39 2qka n GLY 122 N 0.65 -1.18 2.97 3.44 0.00 -1.26 -0.81 105.19 109.01 2qka n GLY 122 Ca -0.06 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.94 2qka n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qka s TRP 123 N -3.00 0.29 -0.11 1.61 0.52 -0.01 -1.35 118.94 116.89 2qka s TRP 123 Ca 0.00 -0.40 -0.03 0.00 0.02 0.00 0.00 56.10 55.69 2qka s TRP 123 Cb 0.00 -0.19 -0.03 0.00 -1.15 0.00 0.00 33.47 32.09 2qka s TRP 123 CO 0.00 -0.13 0.01 0.20 0.02 0.00 0.00 176.95 177.06 2qka s GLY 124 N -1.12 1.86 0.03 0.98 0.00 -0.47 -1.01 107.32 107.60 2qka s GLY 124 Ca -0.11 -0.79 0.03 0.00 0.00 0.00 0.00 44.72 43.86 2qka s GLY 124 CO -0.01 -0.39 -0.10 -0.98 0.00 0.00 0.00 173.10 171.62 2qka s TRP 125 N -0.53 0.88 -0.27 1.90 0.52 0.16 -0.82 118.94 120.78 2qka s TRP 125 Ca 0.09 -0.36 -0.07 0.00 0.02 0.00 0.00 56.10 55.78 2qka s TRP 125 Cb -0.12 -0.52 -0.01 0.00 -1.15 0.00 0.00 33.47 31.67 2qka s TRP 125 CO 0.02 -0.01 0.07 -1.17 0.02 0.00 0.00 176.95 175.88 2qka s LEU 126 N -1.15 3.62 0.34 2.99 2.96 -0.12 -1.33 118.68 125.99 2qka s LEU 126 Ca -0.03 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.48 2qka s LEU 126 Cb -0.08 -1.90 -0.06 0.00 0.50 0.00 0.00 46.19 44.66 2qka s LEU 126 CO 0.01 -0.11 0.07 -0.83 -1.32 0.00 0.00 176.35 174.17 2qka s GLY 127 N 1.56 2.18 -0.15 7.98 0.00 0.11 -1.37 107.32 117.63 2qka s GLY 127 Ca 0.05 -1.87 -0.00 0.00 0.00 0.00 0.00 44.72 42.90 2qka s GLY 127 CO 0.03 -1.82 -0.13 -0.12 0.00 0.00 0.00 173.10 171.06 2qka s PHE 128 N -3.29 2.81 -0.65 1.90 5.36 0.12 -0.44 117.98 123.79 2qka s PHE 128 Ca 0.34 -0.90 -0.19 0.00 -0.96 0.00 0.00 56.93 55.21 2qka s PHE 128 Cb 0.07 -1.90 0.11 0.00 -0.34 0.00 0.00 43.02 40.96 2qka s PHE 128 CO 0.15 -0.40 0.80 1.21 -1.46 0.00 0.00 175.22 175.52 2qka s ASN 129 N 0.74 6.25 0.47 6.13 3.84 -0.37 -1.25 114.94 130.77 2qka s ASN 129 Ca -0.06 -1.48 0.13 0.00 0.21 0.00 0.00 52.86 51.67 2qka s ASN 129 Cb -0.15 -2.33 1.10 0.00 -0.55 0.00 0.00 41.25 39.32 2qka s ASN 129 CO 0.01 -1.15 2.09 0.11 -2.79 0.00 0.00 177.10 175.38 2qka h LYS 130 N 9.15 0.24 -0.28 0.43 1.57 -1.87 0.59 116.57 126.41 2qka h LYS 130 Ca -0.23 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 2qka h LYS 130 Cb 1.08 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 2qka h LYS 130 CO 1.10 0.16 -0.14 1.49 -0.57 0.00 0.00 179.45 181.49 2qka h GLU 131 N 0.25 0.59 0.00 3.15 4.81 -1.95 -3.27 114.58 118.15 2qka h GLU 131 Ca 0.10 -0.26 -0.10 0.00 -0.13 0.00 0.00 59.36 58.96 2qka h GLU 131 Cb 0.09 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2qka h GLU 131 CO -0.02 0.83 -1.24 0.00 -0.73 0.00 0.00 179.01 177.85 2qka h ARG 132 N 0.33 0.00 -0.85 1.92 2.47 -1.92 -3.48 114.38 112.85 2qka h ARG 132 Ca 0.06 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.72 2qka h ARG 132 Cb 0.66 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 2qka h ARG 132 CO 0.04 0.18 -0.08 0.41 0.56 0.00 0.00 179.97 181.08 2qka n GLY 133 N 1.31 0.41 3.23 0.04 0.00 0.20 -5.05 105.19 105.33 2qka n GLY 133 Ca -0.06 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 2qka n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2qka s HIS 134 N -2.45 0.50 0.52 1.61 -3.43 -1.16 -4.99 115.29 105.89 2qka s HIS 134 Ca 0.03 -0.91 -0.19 0.00 -0.80 0.00 0.00 55.06 53.20 2qka s HIS 134 Cb -0.01 -0.22 -0.07 0.00 -1.43 0.00 0.00 32.58 30.84 2qka s HIS 134 CO 0.03 -0.59 1.04 -0.51 -2.00 0.00 0.00 174.74 172.72 2qka s LEU 135 N -2.97 3.73 -0.13 5.38 1.43 -1.26 -1.23 118.68 123.62 2qka s LEU 135 Ca 0.16 1.88 -0.14 0.00 -1.03 0.00 0.00 54.13 54.99 2qka s LEU 135 Cb 0.05 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.76 2qka s LEU 135 CO -0.03 -0.89 0.39 -1.58 0.23 0.00 0.00 176.35 174.47 2qka s GLN 136 N -3.54 0.49 -0.14 1.70 0.74 0.42 -4.86 119.66 114.46 2qka s GLN 136 Ca 0.66 0.48 -0.08 0.00 0.05 0.00 0.00 55.36 56.46 2qka s GLN 136 Cb -0.16 0.23 -0.04 0.00 1.10 0.00 0.00 33.01 34.14 2qka s GLN 136 CO 0.26 -0.07 0.15 0.42 -0.55 0.00 0.00 175.29 175.49 2qka s ILE 137 N 0.05 5.46 0.03 -2.34 1.01 -1.26 0.08 121.20 124.24 2qka s ILE 137 Ca -0.01 0.22 -0.09 0.00 0.00 0.00 0.00 60.65 60.77 2qka s ILE 137 Cb -0.03 -3.43 0.00 0.00 0.01 0.00 0.00 42.46 39.01 2qka s ILE 137 CO 0.01 0.56 0.19 0.00 0.00 0.00 0.00 174.94 175.70 2qka s ALA 138 N -0.56 -0.39 -0.06 9.38 0.00 -0.44 -4.98 121.76 124.71 2qka s ALA 138 Ca 0.13 -0.21 0.05 0.00 0.00 0.00 0.00 51.96 51.93 2qka s ALA 138 Cb -0.12 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 2qka s ALA 138 CO 0.02 -0.33 -0.23 0.00 0.00 0.00 0.00 175.76 175.22 2qka s ALA 139 N -2.28 2.02 -0.00 0.00 0.00 -1.26 0.36 121.76 120.60 2qka s ALA 139 Ca -0.07 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.01 2qka s ALA 139 Cb -0.02 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.42 2qka s ALA 139 CO -0.02 0.37 -0.24 0.00 0.00 0.00 0.00 175.76 175.87 2qka s PRO 141 N -0.85 4.03 2.56 0.00 0.04 -1.26 -0.83 135.00 138.69 2qka s PRO 141 Ca 0.11 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2qka s PRO 141 Cb -0.10 -2.21 0.00 0.00 0.04 0.00 0.00 34.50 32.23 2qka s PRO 141 CO 0.00 -0.12 0.00 0.09 0.04 0.00 0.00 177.00 177.01 2qka n ASN 142 N -1.12 0.00 -0.73 6.66 3.02 0.01 -1.50 115.26 121.60 2qka n ASN 142 Ca 0.06 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.67 2qka n ASN 142 Cb 0.54 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.89 2qka n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qka n GLN 143 N 14.00 2.91 -1.64 3.52 1.13 -1.26 -4.21 117.38 131.84 2qka n GLN 143 Ca 0.00 -2.27 -0.49 0.00 -1.94 0.00 0.00 57.00 52.29 2qka n GLN 143 Cb 0.00 -1.43 -0.05 0.00 0.11 0.00 0.00 30.24 28.87 2qka n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2qka n ASP 144 N 0.28 3.07 -4.78 1.08 9.92 -0.56 -3.99 116.55 121.56 2qka n ASP 144 Ca 0.14 0.82 -0.36 0.00 -0.53 0.00 0.00 54.79 54.87 2qka n ASP 144 Cb 0.56 -1.34 -0.02 0.00 -0.64 0.00 0.00 41.12 39.67 2qka n ASP 144 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2qka s PRO 145 N 4.62 3.82 0.04 -0.24 0.04 -1.26 -4.70 135.00 137.33 2qka s PRO 145 Ca 0.97 1.54 -0.23 0.00 0.04 0.00 0.00 61.00 63.32 2qka s PRO 145 Cb -0.74 -2.28 -0.12 0.00 0.04 0.00 0.00 34.50 31.40 2qka s PRO 145 CO 0.52 -0.45 1.36 1.25 0.04 0.00 0.00 177.00 179.72 2qka h LEU 146 N 1.88 -0.80 -0.17 -3.56 5.85 -1.90 -2.57 115.31 114.04 2qka h LEU 146 Ca -0.49 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.29 2qka h LEU 146 Cb 1.23 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.48 2qka h LEU 146 CO 0.60 -0.48 0.07 -0.61 -0.34 0.00 0.00 178.44 177.68 2qka h GLN 147 N -0.77 0.16 -0.03 1.25 4.15 -1.84 0.57 115.11 118.60 2qka h GLN 147 Ca -0.07 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.35 2qka h GLN 147 Cb 0.62 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.27 2qka h GLN 147 CO 0.07 0.10 0.02 0.78 -1.93 0.00 0.00 178.83 177.87 2qka h GLY 148 N 0.16 0.00 0.00 2.39 0.00 -1.86 -0.29 103.07 103.47 2qka h GLY 148 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 2qka h GLY 148 CO -0.06 0.00 -1.69 -1.30 0.00 0.00 0.00 176.54 173.48 2qka n THR 149 N -4.46 0.10 0.00 4.70 -2.24 -0.97 -4.72 114.28 106.68 2qka n THR 149 Ca -0.02 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2qka n THR 149 Cb 0.12 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2qka n THR 149 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qka n THR 150 N -2.06 0.00 -0.01 4.28 -2.24 0.17 -5.01 114.28 109.41 2qka n THR 150 Ca -0.05 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2qka n THR 150 Cb 0.44 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 2qka n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qka n GLY 151 N 2.05 1.65 3.78 3.38 0.00 -0.12 -5.01 105.19 110.91 2qka n GLY 151 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2qka n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qka s LEU 152 N 0.00 4.27 -0.19 0.99 1.43 -1.26 -4.80 118.68 119.12 2qka s LEU 152 Ca 0.00 2.06 -0.23 0.00 -1.03 0.00 0.00 54.13 54.93 2qka s LEU 152 Cb 0.00 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.18 2qka s LEU 152 CO 0.00 -0.34 0.72 -0.63 0.23 0.00 0.00 176.35 176.33 2qka s ILE 153 N -1.53 4.95 0.16 -0.59 -1.09 -0.38 -2.62 121.20 120.10 2qka s ILE 153 Ca 0.53 1.38 -0.30 0.00 -2.23 0.00 0.00 60.65 60.03 2qka s ILE 153 Cb -0.24 -4.03 -0.08 0.00 -1.58 0.00 0.00 42.46 36.53 2qka s ILE 153 CO 0.30 0.06 1.28 -2.16 -1.23 0.00 0.00 174.94 173.19 2qka s PRO 154 N 2.10 4.40 -0.05 2.79 0.04 -1.26 0.12 135.00 143.14 2qka s PRO 154 Ca 0.33 1.97 -0.01 0.00 0.04 0.00 0.00 61.00 63.33 2qka s PRO 154 Cb -0.16 -3.24 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 2qka s PRO 154 CO 0.11 -0.25 -0.06 1.28 0.04 0.00 0.00 177.00 178.12 2qka n LEU 155 N 3.08 1.96 -3.73 -3.56 4.77 -0.47 -4.91 117.00 114.13 2qka n LEU 155 Ca 0.07 0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 2qka n LEU 155 Cb 0.44 -0.18 -0.13 0.00 -2.33 0.00 0.00 43.42 41.21 2qka n LEU 155 CO 0.57 0.40 -0.15 -0.22 -1.33 0.00 0.00 177.39 176.67 2qka s LEU 156 N -5.71 0.41 0.05 2.23 2.96 -0.98 -4.55 118.68 113.10 2qka s LEU 156 Ca -0.07 0.48 0.08 0.00 -0.22 0.00 0.00 54.13 54.39 2qka s LEU 156 Cb 0.02 0.65 -0.03 0.00 0.50 0.00 0.00 46.19 47.33 2qka s LEU 156 CO 0.11 -0.17 -0.21 -0.83 -1.32 0.00 0.00 176.35 173.93 2qka s GLY 157 N 1.35 1.17 -0.19 7.98 0.00 -1.26 -0.95 107.32 115.42 2qka s GLY 157 Ca -0.08 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.53 2qka s GLY 157 CO -0.08 -1.04 -0.08 -0.42 0.00 0.00 0.00 173.10 171.48 2qka s ILE 158 N -0.85 1.47 -0.17 0.90 1.01 0.00 -4.88 121.20 118.70 2qka s ILE 158 Ca 0.08 -0.91 -0.29 0.00 0.00 0.00 0.00 60.65 59.52 2qka s ILE 158 Cb -0.09 -1.60 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 2qka s ILE 158 CO 0.02 0.14 1.24 -0.62 0.00 0.00 0.00 174.94 175.71 2qka s ASP 159 N 1.47 6.97 -0.16 3.58 -1.08 -1.26 -1.36 116.67 124.81 2qka s ASP 159 Ca -0.01 1.66 0.17 0.00 -0.52 0.00 0.00 52.55 53.85 2qka s ASP 159 Cb -0.16 -2.54 0.41 0.00 -1.46 0.00 0.00 42.92 39.17 2qka s ASP 159 CO -0.08 -0.74 1.29 1.33 0.52 0.00 0.00 175.17 177.49 2qka n VAL 160 N 5.33 2.11 -2.10 1.11 0.24 -0.46 -4.85 118.33 119.73 2qka n VAL 160 Ca 0.14 -2.15 -0.37 0.00 -2.04 0.00 0.00 64.34 59.92 2qka n VAL 160 Cb 0.45 -0.25 0.02 0.00 -1.47 0.00 0.00 33.84 32.58 2qka n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2qka s TRP 161 N -2.89 2.57 0.53 6.34 0.52 -1.22 -4.46 118.94 120.33 2qka s TRP 161 Ca 0.37 1.50 0.20 0.00 0.02 0.00 0.00 56.10 58.19 2qka s TRP 161 Cb 0.32 -3.47 1.40 0.00 -1.15 0.00 0.00 33.47 30.57 2qka s TRP 161 CO 0.05 -2.00 2.17 0.93 0.02 0.00 0.00 176.95 178.12 2qka h GLU 162 N 1.40 0.00 0.00 4.98 5.08 -1.94 -1.37 114.58 122.73 2qka h GLU 162 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2qka h GLU 162 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2qka h GLU 162 CO 0.57 0.01 0.00 -2.39 -1.00 0.00 0.00 179.01 176.21 2qka n HIS 163 N -4.33 0.76 0.79 4.33 1.44 -1.26 -0.36 115.22 116.59 2qka n HIS 163 Ca -0.03 0.34 0.13 0.00 -2.01 0.00 0.00 57.72 56.15 2qka n HIS 163 Cb 0.10 -1.04 0.50 0.00 0.12 0.00 0.00 29.99 29.67 2qka n HIS 163 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2qka n ALA 164 N -1.77 2.30 -0.22 1.59 0.00 -0.51 -4.53 120.51 117.36 2qka n ALA 164 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2qka n ALA 164 Cb 0.15 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2qka n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2qka n TYR 165 N -1.92 0.00 -0.29 0.00 0.18 -0.80 -4.98 117.16 109.34 2qka n TYR 165 Ca 0.06 0.00 0.06 0.00 1.88 0.00 0.00 57.90 59.90 2qka n TYR 165 Cb 0.39 0.00 0.21 0.00 -0.38 0.00 0.00 39.34 39.56 2qka n TYR 165 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 2qka h TYR 166 N 0.00 0.75 -0.51 -3.48 3.20 -0.90 0.24 116.97 116.27 2qka h TYR 166 Ca 0.00 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.93 2qka h TYR 166 Cb 0.00 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.03 2qka h TYR 166 CO 0.00 0.20 0.34 -0.07 -1.64 0.00 0.00 178.16 176.99 2qka h LEU 167 N 0.63 0.52 0.01 2.82 3.38 -1.88 0.30 115.31 121.09 2qka h LEU 167 Ca 0.44 -0.01 -0.41 0.00 0.09 0.00 0.00 57.88 58.00 2qka h LEU 167 Cb 0.59 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 2qka h LEU 167 CO -0.34 0.36 -2.39 1.67 0.09 0.00 0.00 178.44 177.82 2qka n GLN 168 N -4.47 0.63 -0.03 1.13 7.27 -0.84 -4.65 117.38 116.42 2qka n GLN 168 Ca 0.06 0.22 0.09 0.00 0.07 0.00 0.00 57.00 57.44 2qka n GLN 168 Cb 0.13 -1.54 0.09 0.00 2.41 0.00 0.00 30.24 31.33 2qka n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2qka n TYR 169 N -3.70 0.08 -2.15 3.69 4.01 0.79 -5.07 117.16 114.80 2qka n TYR 169 Ca -0.47 -0.05 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 2qka n TYR 169 Cb 0.94 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.97 2qka n TYR 169 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2qka n LYS 170 N 0.98 0.00 0.01 -0.72 4.01 0.09 -1.88 118.16 120.64 2qka n LYS 170 Ca 0.11 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 58.01 2qka n LYS 170 Cb 0.44 0.00 0.45 0.00 -0.51 0.00 0.00 35.03 35.41 2qka n LYS 170 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2qka n ASN 171 N 1.05 0.04 -4.18 4.39 6.94 -1.26 -4.35 115.26 117.90 2qka n ASN 171 Ca 0.00 0.51 -0.43 0.00 -0.02 0.00 0.00 54.58 54.64 2qka n ASN 171 Cb 0.00 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 36.90 2qka n ASN 171 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2qka n VAL 172 N -1.54 3.89 -0.33 3.53 0.31 -0.79 -4.79 118.33 118.60 2qka n VAL 172 Ca 0.05 -3.88 0.09 0.00 -0.01 0.00 0.00 64.34 60.59 2qka n VAL 172 Cb 0.25 -2.45 0.28 0.00 -0.91 0.00 0.00 33.84 31.01 2qka n VAL 172 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2qka h ARG 173 N 6.72 0.87 -0.63 5.55 2.43 -1.83 -1.81 114.38 125.68 2qka h ARG 173 Ca 0.46 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.65 2qka h ARG 173 Cb 0.76 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 2qka h ARG 173 CO 1.59 0.58 0.42 -1.35 -1.51 0.00 0.00 179.97 179.70 2qka h PRO 174 N 0.90 0.58 -0.47 0.20 0.11 -1.97 -1.19 132.00 130.16 2qka h PRO 174 Ca 0.49 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.47 2qka h PRO 174 Cb 0.57 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 2qka h PRO 174 CO -0.25 0.38 -0.08 -0.44 -0.21 0.00 0.00 178.00 177.40 2qka h ASP 175 N 0.59 0.82 -0.22 -2.05 3.32 -1.71 -1.66 116.42 115.51 2qka h ASP 175 Ca 0.28 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 2qka h ASP 175 Cb 0.33 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2qka h ASP 175 CO -0.09 0.93 0.05 0.22 -1.72 0.00 0.00 179.24 178.63 2qka h TYR 176 N 0.76 0.38 -0.44 4.55 3.20 -1.21 -2.47 116.97 121.73 2qka h TYR 176 Ca 0.13 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 2qka h TYR 176 Cb 0.57 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 2qka h TYR 176 CO 0.03 0.47 0.05 -0.07 -1.64 0.00 0.00 178.16 177.01 2qka h LEU 177 N 0.17 0.65 -0.68 2.82 3.38 -1.17 -1.72 115.31 118.76 2qka h LEU 177 Ca 0.07 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 2qka h LEU 177 Cb 0.29 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2qka h LEU 177 CO 0.00 0.68 0.15 0.50 0.09 0.00 0.00 178.44 179.87 2qka h LYS 178 N 0.66 1.10 -0.06 1.13 3.64 -1.20 -3.14 116.57 118.70 2qka h LYS 178 Ca 0.14 -0.27 -0.18 0.00 -1.27 0.00 0.00 60.65 59.07 2qka h LYS 178 Cb 0.33 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2qka h LYS 178 CO 0.01 0.98 -0.73 0.00 -2.27 0.00 0.00 179.45 177.43 2qka h ALA 179 N 1.07 0.63 0.00 5.00 0.00 -1.08 -3.27 119.26 121.61 2qka h ALA 179 Ca 0.21 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2qka h ALA 179 Cb 0.39 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2qka h ALA 179 CO 0.00 0.79 -0.07 0.97 0.00 0.00 0.00 179.25 180.94 2qka h ILE 180 N 0.22 0.45 0.00 0.00 2.10 -1.27 -1.89 117.51 117.12 2qka h ILE 180 Ca -0.03 -0.35 -0.01 0.00 1.08 0.00 0.00 64.86 65.56 2qka h ILE 180 Cb 1.30 1.24 -0.00 0.00 -1.09 0.00 0.00 36.82 38.27 2qka h ILE 180 CO 0.12 0.07 -0.03 -0.50 -1.08 0.00 0.00 178.15 176.73 2qka h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.63 -1.66 115.95 118.91 2qka h TRP 181 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2qka h TRP 181 Cb 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.39 2qka h TRP 181 CO 0.00 0.03 0.00 0.09 -3.56 0.00 0.00 178.44 175.00 2qka n ASN 182 N -3.36 0.37 -0.14 -3.49 5.03 -0.71 -3.66 115.26 109.30 2qka n ASN 182 Ca -0.02 0.55 0.06 0.00 0.87 0.00 0.00 54.58 56.04 2qka n ASN 182 Cb 0.16 -0.64 0.08 0.00 -1.02 0.00 0.00 39.78 38.36 2qka n ASN 182 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2qka n VAL 183 N -1.86 1.28 -2.31 2.41 0.24 -0.63 -3.04 118.33 114.42 2qka n VAL 183 Ca 0.05 -1.51 -0.42 0.00 -2.04 0.00 0.00 64.34 60.42 2qka n VAL 183 Cb 0.32 0.09 -0.03 0.00 -1.47 0.00 0.00 33.84 32.75 2qka n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2qka s ILE 184 N -1.87 3.66 -1.08 1.34 -1.09 -1.17 -1.08 121.20 119.91 2qka s ILE 184 Ca 0.19 1.22 -0.16 0.00 -2.23 0.00 0.00 60.65 59.67 2qka s ILE 184 Cb 0.17 -3.78 0.15 0.00 -1.58 0.00 0.00 42.46 37.42 2qka s ILE 184 CO 0.02 0.11 1.29 0.21 -1.23 0.00 0.00 174.94 175.34 2qka s ASN 185 N 0.93 6.86 0.63 3.58 3.84 0.16 -0.39 114.94 130.56 2qka s ASN 185 Ca 0.60 -2.55 0.39 0.00 0.21 0.00 0.00 52.86 51.52 2qka s ASN 185 Cb -0.33 -2.40 2.14 0.00 -0.55 0.00 0.00 41.25 40.11 2qka s ASN 185 CO 0.31 -0.90 2.29 -0.50 -2.79 0.00 0.00 177.10 175.51 2qka h TRP 186 N 7.94 0.00 -0.48 0.43 4.06 -1.87 -1.29 115.95 124.74 2qka h TRP 186 Ca 0.24 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 61.06 2qka h TRP 186 Cb 0.94 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.09 2qka h TRP 186 CO 1.14 0.01 -0.21 1.49 -3.56 0.00 0.00 178.44 177.30 2qka h GLU 187 N 0.00 0.98 -0.20 0.49 4.81 -1.97 -0.39 114.58 118.30 2qka h GLU 187 Ca -0.00 -0.42 -0.18 0.00 -0.13 0.00 0.00 59.36 58.64 2qka h GLU 187 Cb 0.08 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2qka h GLU 187 CO 0.00 1.09 -0.56 -0.97 -0.73 0.00 0.00 179.01 177.84 2qka h ASN 188 N 0.85 0.84 -0.84 1.04 -0.73 -1.54 -2.04 115.58 113.16 2qka h ASN 188 Ca 0.11 -0.58 0.00 0.00 1.87 0.00 0.00 56.30 57.70 2qka h ASN 188 Cb 0.79 -0.24 -0.04 0.00 0.27 0.00 0.00 38.32 39.10 2qka h ASN 188 CO 0.07 1.27 0.54 0.58 -0.37 0.00 0.00 177.43 179.51 2qka h VAL 189 N 0.44 1.22 -0.52 2.57 2.07 -1.33 -1.42 116.25 119.29 2qka h VAL 189 Ca -0.01 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2qka h VAL 189 Cb 1.18 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 2qka h VAL 189 CO 0.12 0.22 0.24 0.74 0.02 0.00 0.00 177.57 178.91 2qka h THR 190 N 1.14 1.20 -0.41 2.57 2.02 -1.00 -0.85 112.91 117.58 2qka h THR 190 Ca 0.30 -0.59 0.04 0.00 0.77 0.00 0.00 66.41 66.93 2qka h THR 190 Cb -0.10 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 2qka h THR 190 CO -0.06 0.23 0.19 -0.33 0.37 0.00 0.00 175.52 175.92 2qka h GLU 191 N 0.70 0.37 -0.57 6.66 5.08 -0.81 0.97 114.58 126.99 2qka h GLU 191 Ca 0.18 -0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 2qka h GLU 191 Cb 0.14 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2qka h GLU 191 CO -0.02 0.25 0.16 0.00 -1.00 0.00 0.00 179.01 178.40 2qka h ARG 192 N 0.38 0.86 -0.17 2.33 3.08 -1.01 -1.82 114.38 118.04 2qka h ARG 192 Ca 0.18 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2qka h ARG 192 Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2qka h ARG 192 CO -0.14 0.75 -0.01 -0.92 -1.07 0.00 0.00 179.97 178.58 2qka h TYR 193 N 0.83 0.33 -0.19 3.04 3.20 -0.39 -3.06 116.97 120.73 2qka h TYR 193 Ca 0.19 -0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 2qka h TYR 193 Cb 0.26 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2qka h TYR 193 CO 0.02 0.53 -0.02 0.52 -1.64 0.00 0.00 178.16 177.57 2qka h MET 194 N 0.04 0.28 0.00 1.82 2.86 -0.62 -2.21 114.93 117.10 2qka h MET 194 Ca 0.05 -0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qka h MET 194 Cb 0.40 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 2qka h MET 194 CO 0.01 0.32 -0.01 0.00 1.06 0.00 0.00 176.91 178.29 2qka h ALA 195 N 1.72 1.04 0.00 6.32 0.00 -1.23 -3.51 119.26 123.59 2qka h ALA 195 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2qka h ALA 195 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qka h ALA 195 CO 0.01 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.27