#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qkc s HIS 2 N 0.00 3.45 0.05 5.64 3.76 -1.26 -5.10 115.29 121.83 2qkc s HIS 2 Ca 0.00 0.73 -0.00 0.00 -0.15 0.00 0.00 55.06 55.64 2qkc s HIS 2 Cb 0.00 -2.16 -0.03 0.00 1.11 0.00 0.00 32.58 31.50 2qkc s HIS 2 CO 0.00 0.26 -0.04 -1.54 -0.85 0.00 0.00 174.74 172.57 2qkc s SER 3 N -2.67 0.50 -0.23 1.40 1.04 -1.26 -4.95 113.70 107.54 2qkc s SER 3 Ca 0.45 -0.82 -0.29 0.00 0.48 0.00 0.00 55.95 55.77 2qkc s SER 3 Cb -0.11 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.14 2qkc s SER 3 CO 0.25 -0.47 1.44 -0.22 0.98 0.00 0.00 173.24 175.22 2qkc s LEU 4 N -2.39 3.97 0.47 2.42 2.96 -1.26 -4.99 118.68 119.86 2qkc s LEU 4 Ca -0.01 1.51 -0.22 0.00 -0.22 0.00 0.00 54.13 55.20 2qkc s LEU 4 Cb 0.01 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.09 2qkc s LEU 4 CO -0.06 -1.08 1.11 -2.16 -1.32 0.00 0.00 176.35 172.84 2qkc s PRO 5 N 4.23 3.74 0.53 0.98 0.04 -1.26 -5.00 135.00 138.26 2qkc s PRO 5 Ca 0.63 1.61 -0.19 0.00 0.04 0.00 0.00 61.00 63.09 2qkc s PRO 5 Cb -0.22 -2.28 -0.07 0.00 0.04 0.00 0.00 34.50 31.98 2qkc s PRO 5 CO 0.24 -0.53 1.05 -0.51 0.04 0.00 0.00 177.00 177.30 2qkc s ASP 6 N -1.61 6.11 0.25 6.66 1.01 -1.26 -5.00 116.67 122.82 2qkc s ASP 6 Ca 0.65 1.91 -0.30 0.00 0.71 0.00 0.00 52.55 55.52 2qkc s ASP 6 Cb -0.24 -2.55 -0.09 0.00 1.01 0.00 0.00 42.92 41.05 2qkc s ASP 6 CO 0.29 -0.94 0.99 -0.22 0.21 0.00 0.00 175.17 175.50 2qkc s LEU 7 N -3.85 4.61 0.00 1.23 2.96 -1.26 -4.92 118.68 117.45 2qkc s LEU 7 Ca 0.66 2.05 0.03 0.00 -0.22 0.00 0.00 54.13 56.65 2qkc s LEU 7 Cb -0.17 -3.61 0.15 0.00 0.50 0.00 0.00 46.19 43.06 2qkc s LEU 7 CO 0.26 0.05 0.97 -0.81 -1.32 0.00 0.00 176.35 175.50 2qkc n PRO 8 N 1.47 0.86 -3.83 0.98 -0.04 -1.26 -4.81 135.00 128.38 2qkc n PRO 8 Ca -0.01 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.36 2qkc n PRO 8 Cb 0.46 -1.05 -0.03 0.00 -0.04 0.00 0.00 33.50 32.85 2qkc n PRO 8 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2qkc s TYR 9 N -2.00 -0.10 0.61 0.54 -0.85 -1.26 -5.09 117.35 109.20 2qkc s TYR 9 Ca 0.04 -0.30 -0.17 0.00 -0.52 0.00 0.00 57.07 56.12 2qkc s TYR 9 Cb 0.02 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.86 2qkc s TYR 9 CO 0.03 -1.09 1.13 0.34 -1.52 0.00 0.00 175.55 174.44 2qkc s ASP 10 N -2.92 5.32 0.43 -0.18 2.15 -1.26 -4.94 116.67 115.28 2qkc s ASP 10 Ca 0.12 2.13 0.13 0.00 0.43 0.00 0.00 52.55 55.36 2qkc s ASP 10 Cb -0.04 -2.57 1.02 0.00 -0.30 0.00 0.00 42.92 41.04 2qkc s ASP 10 CO 0.04 -1.49 1.99 1.88 -0.17 0.00 0.00 175.17 177.42 2qkc h TYR 11 N 0.58 0.43 -0.35 -5.34 0.05 -1.97 -1.84 116.97 108.54 2qkc h TYR 11 Ca -0.49 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.31 2qkc h TYR 11 Cb 1.26 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.86 2qkc h TYR 11 CO 0.52 0.21 0.00 0.41 -1.05 0.00 0.00 178.16 178.25 2qkc n GLY 12 N -1.52 1.02 0.28 3.88 0.00 -1.26 -4.14 105.19 103.46 2qkc n GLY 12 Ca 0.09 -0.54 0.19 0.00 0.00 0.00 0.00 46.02 45.76 2qkc n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qkc h ALA 13 N 4.10 1.00 -0.52 4.61 0.00 -1.69 -2.72 119.26 124.04 2qkc h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qkc h ALA 13 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2qkc h ALA 13 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 2qkc n LEU 14 N -2.90 3.59 -4.76 0.00 4.77 -1.26 -4.47 117.00 111.97 2qkc n LEU 14 Ca -0.01 -1.65 -0.37 0.00 -0.03 0.00 0.00 56.01 53.94 2qkc n LEU 14 Cb 0.14 -0.34 0.02 0.00 -2.33 0.00 0.00 43.42 40.91 2qkc n LEU 14 CO 0.20 0.83 0.88 -1.61 -1.33 0.00 0.00 177.39 176.36 2qkc s GLU 15 N -1.32 3.25 0.00 3.23 0.41 -1.03 -1.80 118.70 121.44 2qkc s GLU 15 Ca 0.43 1.94 0.25 0.00 -0.41 0.00 0.00 54.97 57.17 2qkc s GLU 15 Cb 0.24 -2.17 0.82 0.00 -1.78 0.00 0.00 34.13 31.24 2qkc s GLU 15 CO 0.32 -1.02 1.61 -0.35 -0.49 0.00 0.00 175.26 175.33 2qkc n PRO 16 N -1.10 1.81 -0.24 0.39 -0.04 -1.26 -4.88 135.00 129.67 2qkc n PRO 16 Ca 0.11 -1.19 -0.06 0.00 -0.04 0.00 0.00 63.50 62.32 2qkc n PRO 16 Cb 0.48 -1.45 0.05 0.00 -0.04 0.00 0.00 33.50 32.54 2qkc n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2qkc h HIS 17 N 2.68 0.90 -3.21 0.54 3.86 -1.70 -3.39 115.15 114.82 2qkc h HIS 17 Ca 0.00 -0.00 -0.44 0.00 -1.16 0.00 0.00 60.37 58.77 2qkc h HIS 17 Cb 0.58 -0.29 -0.40 0.00 1.06 0.00 0.00 27.41 28.36 2qkc h HIS 17 CO 0.05 0.60 -0.75 0.42 0.86 0.00 0.00 177.93 179.11 2qkc s ILE 18 N -5.99 0.11 0.79 2.45 1.01 -1.00 -4.78 121.20 113.79 2qkc s ILE 18 Ca -0.13 0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.42 2qkc s ILE 18 Cb 0.14 -0.51 0.07 0.00 0.01 0.00 0.00 42.46 42.16 2qkc s ILE 18 CO 0.78 -0.01 1.09 0.54 0.00 0.00 0.00 174.94 177.33 2qkc s ASN 19 N 2.07 4.38 0.39 3.58 2.20 -1.26 -3.43 114.94 122.87 2qkc s ASN 19 Ca 0.03 1.76 0.09 0.00 -0.94 0.00 0.00 52.86 53.80 2qkc s ASN 19 Cb -0.14 -2.46 0.86 0.00 -2.00 0.00 0.00 41.25 37.51 2qkc s ASN 19 CO -0.06 -2.10 1.98 0.00 -2.94 0.00 0.00 177.10 173.97 2qkc h ALA 20 N -1.18 1.82 -0.43 3.54 0.00 -1.88 -2.76 119.26 118.37 2qkc h ALA 20 Ca -0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2qkc h ALA 20 Cb 1.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2qkc h ALA 20 CO 0.52 0.07 0.19 0.37 0.00 0.00 0.00 179.25 180.41 2qkc h GLN 21 N 0.60 0.62 -0.14 0.00 4.15 -1.92 -0.48 115.11 117.94 2qkc h GLN 21 Ca 0.28 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.60 2qkc h GLN 21 Cb 0.32 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 2qkc h GLN 21 CO -0.09 0.55 0.07 0.82 -1.93 0.00 0.00 178.83 178.25 2qkc h ILE 22 N 0.55 1.11 -0.71 2.39 2.04 -1.87 -1.31 117.51 119.70 2qkc h ILE 22 Ca 0.14 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.72 2qkc h ILE 22 Cb 0.14 1.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 2qkc h ILE 22 CO -0.02 0.10 0.46 0.24 0.00 0.00 0.00 178.15 178.93 2qkc h MET 23 N 0.11 0.89 -0.21 2.37 2.86 -1.33 0.35 114.93 119.97 2qkc h MET 23 Ca 0.05 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2qkc h MET 23 Cb 0.09 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 2qkc h MET 23 CO -0.01 0.59 0.06 0.37 1.06 0.00 0.00 176.91 178.99 2qkc h GLN 24 N 0.92 0.33 -0.28 1.72 4.15 -0.91 -1.47 115.11 119.57 2qkc h GLN 24 Ca 0.27 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.57 2qkc h GLN 24 Cb -0.05 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2qkc h GLN 24 CO -0.08 0.43 0.00 -0.07 -1.93 0.00 0.00 178.83 177.18 2qkc h LEU 25 N 0.17 0.48 -0.83 -2.39 3.38 -0.98 -0.78 115.31 114.36 2qkc h LEU 25 Ca 0.07 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.76 2qkc h LEU 25 Cb 0.24 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 2qkc h LEU 25 CO -0.00 0.67 0.53 -0.74 0.09 0.00 0.00 178.44 178.99 2qkc h HIS 26 N 0.27 1.00 0.00 1.13 2.76 -0.26 -0.73 115.15 119.32 2qkc h HIS 26 Ca 0.08 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2qkc h HIS 26 Cb 0.42 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.05 2qkc h HIS 26 CO 0.03 0.58 -0.13 1.25 -1.30 0.00 0.00 177.93 178.36 2qkc h HIS 27 N 1.04 0.00 0.00 5.26 -0.00 -1.27 -1.81 115.15 118.37 2qkc h HIS 27 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.70 2qkc h HIS 27 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 2qkc h HIS 27 CO -0.02 0.00 0.00 0.66 -0.00 0.00 0.00 177.93 178.57 2qkc h SER 28 N -0.93 0.00 0.00 3.26 4.64 -1.23 -2.92 113.55 116.37 2qkc h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qkc h SER 28 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2qkc h SER 28 CO 0.00 0.00 -0.35 0.29 -0.87 0.00 0.00 176.83 175.90 2qkc n LYS 29 N -3.00 0.19 0.28 4.77 4.76 -0.35 -4.44 118.16 120.35 2qkc n LYS 29 Ca 0.02 0.07 -0.16 0.00 -2.87 0.00 0.00 58.31 55.37 2qkc n LYS 29 Cb 0.35 -0.74 -0.08 0.00 -1.84 0.00 0.00 35.03 32.71 2qkc n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2qkc h HIS 30 N -0.35 -0.63 -0.60 2.13 3.86 -1.40 -2.10 115.15 116.06 2qkc h HIS 30 Ca 0.00 -0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 2qkc h HIS 30 Cb 0.35 0.21 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 2qkc h HIS 30 CO -0.15 -0.34 0.08 1.25 0.86 0.00 0.00 177.93 179.63 2qkc h HIS 31 N -0.80 1.08 -0.81 2.45 -0.00 -1.35 -2.74 115.15 112.98 2qkc h HIS 31 Ca -0.07 -0.16 0.05 0.00 -0.00 0.00 0.00 60.37 60.20 2qkc h HIS 31 Cb 0.57 -0.29 -0.06 0.00 -0.00 0.00 0.00 27.41 27.63 2qkc h HIS 31 CO -0.02 0.93 0.50 0.00 -0.00 0.00 0.00 177.93 179.35 2qkc h ALA 32 N 1.01 1.10 -0.73 5.26 0.00 -1.53 -1.77 119.26 122.60 2qkc h ALA 32 Ca 0.18 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 2qkc h ALA 32 Cb 0.45 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2qkc h ALA 32 CO 0.02 0.25 0.27 0.00 0.00 0.00 0.00 179.25 179.78 2qkc h ALA 33 N 1.38 0.95 -0.68 0.00 0.00 -1.17 -1.68 119.26 118.06 2qkc h ALA 33 Ca 0.35 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2qkc h ALA 33 Cb 0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2qkc h ALA 33 CO -0.16 0.59 0.27 1.88 0.00 0.00 0.00 179.25 181.84 2qkc h TYR 34 N 1.06 1.03 -0.10 0.00 0.99 -1.10 0.10 116.97 118.94 2qkc h TYR 34 Ca 0.24 -0.08 -0.01 0.00 2.00 0.00 0.00 58.73 60.89 2qkc h TYR 34 Cb 0.24 -0.31 -0.00 0.00 1.00 0.00 0.00 36.73 37.66 2qkc h TYR 34 CO 0.02 0.80 0.03 0.28 -0.00 0.00 0.00 178.16 179.29 2qkc h VAL 35 N 0.96 1.18 -0.42 -2.88 2.07 -1.11 0.17 116.25 116.22 2qkc h VAL 35 Ca 0.23 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 2qkc h VAL 35 Cb 0.20 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2qkc h VAL 35 CO -0.02 0.16 0.24 0.78 0.02 0.00 0.00 177.57 178.75 2qkc h ASN 36 N -0.03 0.51 0.40 0.57 2.35 -1.17 -1.79 115.58 116.43 2qkc h ASN 36 Ca 0.03 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 2qkc h ASN 36 Cb 0.22 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 2qkc h ASN 36 CO -0.00 0.44 -0.34 0.78 -1.65 0.00 0.00 177.43 176.66 2qkc h ASN 37 N 0.55 0.00 -0.19 5.81 2.35 -0.91 -2.60 115.58 120.59 2qkc h ASN 37 Ca 0.15 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.86 2qkc h ASN 37 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 2qkc h ASN 37 CO -0.03 0.34 -0.03 0.25 -1.65 0.00 0.00 177.43 176.32 2qkc h LEU 38 N 0.00 0.36 -1.05 1.61 5.85 -0.48 -1.22 115.31 120.39 2qkc h LEU 38 Ca -0.00 -0.35 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 2qkc h LEU 38 Cb 0.64 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 2qkc h LEU 38 CO 0.04 0.62 0.21 0.78 -0.34 0.00 0.00 178.44 179.76 2qkc h ASN 39 N 0.09 0.82 -0.40 1.25 2.35 -1.17 0.10 115.58 118.62 2qkc h ASN 39 Ca 0.05 -0.12 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 2qkc h ASN 39 Cb 0.46 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2qkc h ASN 39 CO 0.02 0.76 0.02 0.58 -1.65 0.00 0.00 177.43 177.16 2qkc h VAL 40 N 0.87 1.25 -0.44 2.81 2.07 -1.36 -2.75 116.25 118.70 2qkc h VAL 40 Ca 0.20 -0.97 -0.08 0.00 0.82 0.00 0.00 66.70 66.67 2qkc h VAL 40 Cb 0.22 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 2qkc h VAL 40 CO -0.01 0.33 -0.05 0.74 0.02 0.00 0.00 177.57 178.59 2qkc h THR 41 N 0.53 1.27 -0.31 2.57 2.02 -0.74 -2.37 112.91 115.88 2qkc h THR 41 Ca 0.12 -1.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 2qkc h THR 41 Cb 0.44 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 2qkc h THR 41 CO 0.02 0.39 -0.01 -0.33 0.37 0.00 0.00 175.52 175.95 2qkc h GLU 42 N 0.65 0.47 -0.58 6.66 5.08 -0.79 -0.66 114.58 125.41 2qkc h GLU 42 Ca 0.12 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2qkc h GLU 42 Cb 0.57 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2qkc h GLU 42 CO 0.03 0.51 0.12 1.49 -1.00 0.00 0.00 179.01 180.16 2qkc h GLU 43 N 0.46 0.95 -0.45 2.33 4.81 -1.37 -0.25 114.58 121.06 2qkc h GLU 43 Ca 0.10 -0.24 -0.12 0.00 -0.13 0.00 0.00 59.36 58.96 2qkc h GLU 43 Cb 0.31 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 2qkc h GLU 43 CO 0.01 0.89 -0.21 0.87 -0.73 0.00 0.00 179.01 179.83 2qkc h LYS 44 N 0.85 0.90 -0.64 1.92 1.57 -1.09 -2.93 116.57 117.15 2qkc h LYS 44 Ca 0.18 -0.37 -0.08 0.00 -1.87 0.00 0.00 60.65 58.50 2qkc h LYS 44 Cb 0.38 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2qkc h LYS 44 CO 0.01 1.03 0.08 -0.92 -0.57 0.00 0.00 179.45 179.07 2qkc h TYR 45 N 0.78 1.15 -0.74 -1.35 5.03 -0.90 -1.10 116.97 119.83 2qkc h TYR 45 Ca 0.10 -0.17 0.06 0.00 2.58 0.00 0.00 58.73 61.30 2qkc h TYR 45 Cb 0.76 -0.31 -0.05 0.00 1.55 0.00 0.00 36.73 38.69 2qkc h TYR 45 CO 0.05 0.98 0.49 0.37 -1.32 0.00 0.00 178.16 178.72 2qkc h GLN 46 N 0.98 0.80 -0.27 1.82 5.75 -0.90 -0.33 115.11 122.96 2qkc h GLN 46 Ca 0.19 -0.05 -0.15 0.00 -0.15 0.00 0.00 58.65 58.49 2qkc h GLN 46 Cb 0.47 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.84 2qkc h GLN 46 CO 0.02 0.53 -0.42 0.93 -2.65 0.00 0.00 178.83 177.24 2qkc h GLU 47 N 0.82 0.75 -0.43 1.69 4.39 -1.25 -1.89 114.58 118.66 2qkc h GLU 47 Ca 0.31 -0.45 -0.14 0.00 0.34 0.00 0.00 59.36 59.42 2qkc h GLU 47 Cb 0.19 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2qkc h GLU 47 CO -0.10 1.08 -0.28 0.00 -1.16 0.00 0.00 179.01 178.55 2qkc h ALA 48 N 0.66 0.61 -0.51 3.43 0.00 -0.73 -3.03 119.26 119.69 2qkc h ALA 48 Ca 0.02 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.42 2qkc h ALA 48 Cb 1.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2qkc h ALA 48 CO 0.10 0.64 -0.10 1.25 0.00 0.00 0.00 179.25 181.13 2qkc h LEU 49 N 0.78 0.94 -1.00 0.00 5.85 -1.08 0.53 115.31 121.33 2qkc h LEU 49 Ca 0.09 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.51 2qkc h LEU 49 Cb 0.86 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 2qkc h LEU 49 CO 0.08 1.05 0.64 0.00 -0.34 0.00 0.00 178.44 179.87 2qkc h ALA 50 N 1.03 1.26 -0.58 1.25 0.00 -1.22 -2.46 119.26 118.55 2qkc h ALA 50 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qkc h ALA 50 Cb 0.64 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2qkc h ALA 50 CO 0.04 0.67 0.00 0.36 0.00 0.00 0.00 179.25 180.32 2qkc n LYS 51 N -4.37 4.81 -2.59 0.00 2.85 -1.18 -4.94 118.16 112.74 2qkc n LYS 51 Ca 0.12 -3.13 -0.19 0.00 -1.05 0.00 0.00 58.31 54.06 2qkc n LYS 51 Cb 0.03 -2.24 0.00 0.00 -0.65 0.00 0.00 35.03 32.16 2qkc n LYS 51 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2qkc n GLY 52 N 0.67 -0.50 3.52 2.58 0.00 -0.93 -4.91 105.19 105.62 2qkc n GLY 52 Ca 0.28 0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 2qkc n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qkc s ASP 53 N -2.21 6.39 0.18 1.61 -1.08 0.15 -4.85 116.67 116.85 2qkc s ASP 53 Ca 0.08 -1.24 -0.09 0.00 -0.52 0.00 0.00 52.55 50.78 2qkc s ASP 53 Cb -0.04 -2.51 0.06 0.00 -1.46 0.00 0.00 42.92 38.96 2qkc s ASP 53 CO 0.10 -1.50 1.60 0.58 0.52 0.00 0.00 175.17 176.47 2qkc h VAL 54 N 6.31 1.27 -0.35 1.11 2.07 -1.91 -2.54 116.25 122.20 2qkc h VAL 54 Ca 0.00 -1.27 0.03 0.00 0.82 0.00 0.00 66.70 66.28 2qkc h VAL 54 Cb 1.03 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 2qkc h VAL 54 CO 1.30 0.45 0.15 0.74 0.02 0.00 0.00 177.57 180.22 2qkc h THR 55 N 0.90 0.95 -0.71 2.57 2.02 -1.98 -1.18 112.91 115.48 2qkc h THR 55 Ca 0.14 -0.11 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 2qkc h THR 55 Cb 0.68 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 2qkc h THR 55 CO 0.05 0.06 0.18 0.00 0.37 0.00 0.00 175.52 176.18 2qkc h ALA 56 N 1.20 0.97 -0.64 6.16 0.00 -1.94 -1.35 119.26 123.66 2qkc h ALA 56 Ca 0.15 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2qkc h ALA 56 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2qkc h ALA 56 CO -0.13 0.67 0.42 1.96 0.00 0.00 0.00 179.25 182.17 2qkc h GLN 57 N 1.08 0.82 -0.25 0.00 4.20 -1.01 -2.15 115.11 117.80 2qkc h GLN 57 Ca 0.23 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.74 2qkc h GLN 57 Cb 0.36 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2qkc h GLN 57 CO 0.00 0.54 -0.43 0.82 -0.67 0.00 0.00 178.83 179.09 2qkc h ILE 58 N 0.84 1.30 0.00 2.54 2.04 -0.94 -2.99 117.51 120.31 2qkc h ILE 58 Ca 0.24 -1.62 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 2qkc h ILE 58 Cb -0.07 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2qkc h ILE 58 CO -0.06 0.51 -0.20 0.00 0.00 0.00 0.00 178.15 178.40 2qkc h ALA 59 N 1.02 1.32 -0.00 1.87 0.00 -0.91 -2.72 119.26 119.84 2qkc h ALA 59 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2qkc h ALA 59 Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2qkc h ALA 59 CO 0.09 0.25 -0.26 1.28 0.00 0.00 0.00 179.25 180.60 2qkc n LEU 60 N -3.79 0.30 -0.20 0.00 4.77 -0.84 -4.35 117.00 112.89 2qkc n LEU 60 Ca -0.02 0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 56.15 2qkc n LEU 60 Cb 0.30 -0.35 0.09 0.00 -2.33 0.00 0.00 43.42 41.13 2qkc n LEU 60 CO 0.33 0.07 1.02 1.56 -1.33 0.00 0.00 177.39 179.05 2qkc h GLN 61 N 0.05 0.49 -0.76 3.23 4.20 -1.44 -1.33 115.11 119.55 2qkc h GLN 61 Ca 0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 2qkc h GLN 61 Cb 0.49 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 2qkc h GLN 61 CO 0.00 0.32 0.46 -1.35 -0.67 0.00 0.00 178.83 177.60 2qkc h PRO 62 N 0.51 1.03 -0.26 1.46 0.11 -1.80 -0.79 132.00 132.26 2qkc h PRO 62 Ca 0.28 -0.09 -0.13 0.00 0.11 0.00 0.00 66.00 66.17 2qkc h PRO 62 Cb 0.27 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.15 2qkc h PRO 62 CO -0.23 0.72 -0.37 0.00 -0.21 0.00 0.00 178.00 177.91 2qkc h ALA 63 N 1.25 0.87 -0.25 -0.75 0.00 -1.76 -1.55 119.26 117.07 2qkc h ALA 63 Ca 0.27 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 2qkc h ALA 63 Cb -0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 2qkc h ALA 63 CO -0.05 0.64 -0.53 1.25 0.00 0.00 0.00 179.25 180.55 2qkc h LEU 64 N 0.49 0.80 -0.16 0.00 5.85 -0.92 -1.92 115.31 119.46 2qkc h LEU 64 Ca 0.05 -0.42 -0.05 0.00 0.84 0.00 0.00 57.88 58.29 2qkc h LEU 64 Cb 0.87 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 2qkc h LEU 64 CO 0.07 1.18 -0.10 0.50 -0.34 0.00 0.00 178.44 179.76 2qkc h LYS 65 N 0.56 0.34 0.10 1.25 3.64 -1.07 0.26 116.57 121.64 2qkc h LYS 65 Ca 0.02 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2qkc h LYS 65 Cb 1.11 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.93 2qkc h LYS 65 CO 0.11 0.68 -0.05 1.25 -2.27 0.00 0.00 179.45 179.17 2qkc h LEU 66 N 0.00 -0.11 0.13 5.20 5.85 -1.30 0.23 115.31 125.31 2qkc h LEU 66 Ca 0.03 -0.05 -0.30 0.00 0.84 0.00 0.00 57.88 58.40 2qkc h LEU 66 Cb 0.59 0.03 0.03 0.00 0.37 0.00 0.00 40.66 41.67 2qkc h LEU 66 CO 0.03 -0.02 -1.27 0.78 -0.34 0.00 0.00 178.44 177.61 2qkc h ASN 67 N -0.20 0.84 -0.33 1.25 2.35 -1.42 0.14 115.58 118.21 2qkc h ASN 67 Ca -0.01 -0.79 -0.06 0.00 -0.55 0.00 0.00 56.30 54.88 2qkc h ASN 67 Cb 0.16 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 2qkc h ASN 67 CO 0.02 1.60 -0.03 1.23 -1.65 0.00 0.00 177.43 178.60 2qkc h GLY 68 N 0.40 0.66 1.09 2.83 0.00 -0.54 -1.73 103.07 105.77 2qkc h GLY 68 Ca -0.19 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.54 2qkc h GLY 68 CO 0.24 0.47 0.05 -1.33 0.00 0.00 0.00 176.54 175.97 2qkc h GLY 69 N 0.40 1.18 0.77 4.60 0.00 -0.60 -1.91 103.07 107.52 2qkc h GLY 69 Ca 0.09 -0.83 0.05 0.00 0.00 0.00 0.00 47.33 46.64 2qkc h GLY 69 CO 0.02 0.77 0.46 -1.33 0.00 0.00 0.00 176.54 176.46 2qkc h GLY 70 N 1.02 1.12 0.72 4.60 0.00 -0.75 0.13 103.07 109.92 2qkc h GLY 70 Ca 0.19 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 2qkc h GLY 70 CO 0.02 0.25 0.00 0.84 0.00 0.00 0.00 176.54 177.65 2qkc h HIS 71 N 0.87 0.05 0.08 5.60 6.17 -1.11 -2.36 115.15 124.44 2qkc h HIS 71 Ca 0.32 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.40 2qkc h HIS 71 Cb 0.12 -0.01 -0.01 0.00 2.52 0.00 0.00 27.41 30.03 2qkc h HIS 71 CO -0.05 0.32 -0.07 0.82 0.71 0.00 0.00 177.93 179.67 2qkc h ILE 72 N -0.24 0.85 -0.14 6.26 2.04 -1.05 -1.74 117.51 123.48 2qkc h ILE 72 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 2qkc h ILE 72 Cb 0.30 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2qkc h ILE 72 CO 0.00 0.00 0.09 0.78 0.00 0.00 0.00 178.15 179.02 2qkc h ASN 73 N -0.16 0.16 0.35 1.72 2.35 -0.78 -2.55 115.58 116.67 2qkc h ASN 73 Ca -0.00 -0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 2qkc h ASN 73 Cb 0.15 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 2qkc h ASN 73 CO -0.01 0.11 -0.47 0.45 -1.65 0.00 0.00 177.43 175.87 2qkc h HIS 74 N 0.19 0.17 -0.66 1.19 3.86 -1.43 -1.51 115.15 116.95 2qkc h HIS 74 Ca 0.05 -0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 2qkc h HIS 74 Cb -0.02 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.38 2qkc h HIS 74 CO -0.07 0.59 0.28 0.77 0.86 0.00 0.00 177.93 180.35 2qkc h SER 75 N 0.12 0.90 -0.23 2.45 0.02 -1.13 -1.72 113.55 113.96 2qkc h SER 75 Ca 0.01 -0.16 -0.08 0.00 -0.84 0.00 0.00 61.79 60.71 2qkc h SER 75 Cb 0.87 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 2qkc h SER 75 CO 0.07 0.82 -0.16 0.40 -1.14 0.00 0.00 176.83 176.81 2qkc h ILE 76 N 0.93 1.31 -0.54 3.27 2.04 -1.34 -3.27 117.51 119.92 2qkc h ILE 76 Ca 0.22 -1.29 0.10 0.00 1.00 0.00 0.00 64.86 64.90 2qkc h ILE 76 Cb 0.19 1.65 -0.08 0.00 -0.74 0.00 0.00 36.82 37.83 2qkc h ILE 76 CO -0.02 0.40 0.04 0.15 0.00 0.00 0.00 178.15 178.72 2qkc h PHE 77 N 0.22 0.04 -0.91 1.37 3.57 -0.93 -1.39 116.94 118.91 2qkc h PHE 77 Ca 0.04 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.64 2qkc h PHE 77 Cb 0.69 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 39.44 2qkc h PHE 77 CO 0.07 -0.09 0.58 -1.49 -2.23 0.00 0.00 178.31 175.15 2qkc h TRP 78 N 0.16 1.08 0.00 0.41 -0.00 -1.37 -1.06 115.95 115.17 2qkc h TRP 78 Ca 0.28 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.19 2qkc h TRP 78 Cb 0.42 -0.35 0.00 0.00 -0.00 0.00 0.00 29.16 29.22 2qkc h TRP 78 CO -0.30 0.57 0.00 1.79 -0.00 0.00 0.00 178.44 180.51 2qkc h THR 79 N 1.08 0.00 0.00 1.49 1.35 -1.37 -2.88 112.91 112.58 2qkc h THR 79 Ca 0.39 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 2qkc h THR 79 Cb 0.12 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2qkc h THR 79 CO -0.16 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.70 2qkc n ASN 80 N -2.84 0.03 -4.54 5.36 5.03 -0.42 -4.74 115.26 113.14 2qkc n ASN 80 Ca 0.03 0.50 -0.29 0.00 0.87 0.00 0.00 54.58 55.69 2qkc n ASN 80 Cb 0.38 -0.51 -0.10 0.00 -1.02 0.00 0.00 39.78 38.53 2qkc n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2qkc s LEU 81 N -3.05 2.89 -0.27 3.41 1.43 -1.09 0.43 118.68 122.43 2qkc s LEU 81 Ca 0.14 -0.51 -0.24 0.00 -1.03 0.00 0.00 54.13 52.49 2qkc s LEU 81 Cb 0.19 -1.67 0.08 0.00 0.03 0.00 0.00 46.19 44.81 2qkc s LEU 81 CO 0.53 0.16 0.75 -0.55 0.23 0.00 0.00 176.35 177.47 2qkc s SER 82 N -2.37 -0.74 0.37 2.29 0.15 0.41 -4.66 113.70 109.15 2qkc s SER 82 Ca 0.21 1.39 0.26 0.00 0.70 0.00 0.00 55.95 58.50 2qkc s SER 82 Cb -0.10 1.39 1.31 0.00 -1.71 0.00 0.00 66.02 66.91 2qkc s SER 82 CO 0.13 -0.24 1.79 1.55 1.20 0.00 0.00 173.24 177.67 2qkc h PRO 83 N 5.14 0.00 -0.47 5.44 0.13 -1.85 -0.12 132.00 140.27 2qkc h PRO 83 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2qkc h PRO 83 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2qkc h PRO 83 CO 0.07 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.93 2qkc n ASN 84 N -2.41 3.74 -2.70 1.44 3.02 -1.26 -4.99 115.26 112.10 2qkc n ASN 84 Ca -0.01 -2.29 0.00 0.00 -0.03 0.00 0.00 54.58 52.25 2qkc n ASN 84 Cb 0.10 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 2qkc n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qkc n GLY 85 N 0.68 -0.06 0.13 7.41 0.00 -0.06 -5.01 105.19 108.27 2qkc n GLY 85 Ca 0.19 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2qkc n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qkc n GLY 86 N 5.00 -3.79 7.00 -0.02 0.00 -0.19 -4.67 105.19 108.52 2qkc n GLY 86 Ca 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2qkc n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qkc n GLY 87 N -0.18 0.20 3.36 -0.02 0.00 -1.26 -4.83 105.19 102.45 2qkc n GLY 87 Ca 0.00 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.89 2qkc n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qkc s GLU 88 N 0.00 1.34 0.71 1.61 2.02 -1.26 -5.02 118.70 118.11 2qkc s GLU 88 Ca 0.00 -1.50 -0.10 0.00 0.02 0.00 0.00 54.97 53.39 2qkc s GLU 88 Cb 0.00 -1.35 0.03 0.00 0.10 0.00 0.00 34.13 32.91 2qkc s GLU 88 CO 0.00 0.26 1.08 -1.25 0.02 0.00 0.00 175.26 175.37 2qkc s PRO 89 N -3.09 2.59 0.35 0.39 0.04 -1.26 -5.03 135.00 129.00 2qkc s PRO 89 Ca 0.19 0.24 0.04 0.00 0.04 0.00 0.00 61.00 61.51 2qkc s PRO 89 Cb -0.04 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2qkc s PRO 89 CO 0.08 -1.14 0.13 -1.59 0.04 0.00 0.00 177.00 174.52 2qkc s LYS 90 N -5.35 1.74 3.06 4.56 0.00 -1.26 -4.65 119.74 117.85 2qkc s LYS 90 Ca 0.59 -2.02 0.00 0.00 0.00 0.00 0.00 55.97 54.53 2qkc s LYS 90 Cb -0.11 -0.43 0.00 0.00 0.00 0.00 0.00 37.83 37.29 2qkc s LYS 90 CO 0.49 -0.42 0.00 0.41 0.00 0.00 0.00 175.35 175.83 2qkc n GLY 91 N -0.73 -0.20 0.33 0.59 0.00 -1.26 -3.83 105.19 100.08 2qkc n GLY 91 Ca -0.02 -1.02 0.04 0.00 0.00 0.00 0.00 46.02 45.01 2qkc n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2qkc h GLU 92 N 0.00 0.66 -0.33 1.61 5.08 -1.99 -2.56 114.58 117.04 2qkc h GLU 92 Ca 0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 2qkc h GLU 92 Cb 0.00 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2qkc h GLU 92 CO 0.00 0.43 0.18 1.25 -1.00 0.00 0.00 179.01 179.88 2qkc h LEU 93 N 0.68 0.42 -1.25 1.33 5.85 -1.95 0.19 115.31 120.57 2qkc h LEU 93 Ca 0.21 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.85 2qkc h LEU 93 Cb 0.00 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 2qkc h LEU 93 CO -0.05 0.39 0.51 0.25 -0.34 0.00 0.00 178.44 179.19 2qkc h LEU 94 N 0.42 0.87 -0.22 2.25 5.85 -1.57 -0.39 115.31 122.52 2qkc h LEU 94 Ca 0.12 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 2qkc h LEU 94 Cb 0.06 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 40.87 2qkc h LEU 94 CO -0.02 0.62 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.20 2qkc h GLU 95 N 1.02 0.51 -0.92 1.25 4.39 -1.14 -1.57 114.58 118.12 2qkc h GLU 95 Ca 0.28 -0.25 0.05 0.00 0.34 0.00 0.00 59.36 59.77 2qkc h GLU 95 Cb -0.10 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.50 2qkc h GLU 95 CO -0.06 0.83 0.60 0.00 -1.16 0.00 0.00 179.01 179.21 2qkc h ALA 96 N 0.68 1.44 -0.33 3.43 0.00 -0.14 -0.18 119.26 124.15 2qkc h ALA 96 Ca 0.04 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 2qkc h ALA 96 Cb 0.71 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2qkc h ALA 96 CO 0.05 0.45 -0.19 0.82 0.00 0.00 0.00 179.25 180.38 2qkc h ILE 97 N 1.12 1.29 -0.52 0.00 2.04 -0.90 -1.10 117.51 119.44 2qkc h ILE 97 Ca 0.38 -1.32 -0.07 0.00 1.00 0.00 0.00 64.86 64.85 2qkc h ILE 97 Cb 0.08 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2qkc h ILE 97 CO -0.12 0.43 0.06 0.11 0.00 0.00 0.00 178.15 178.63 2qkc h LYS 98 N 0.49 0.87 -0.54 2.37 1.57 -0.80 0.19 116.57 120.73 2qkc h LYS 98 Ca 0.07 -0.25 0.05 0.00 -1.87 0.00 0.00 60.65 58.65 2qkc h LYS 98 Cb 0.74 -0.10 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 2qkc h LYS 98 CO 0.06 0.87 0.28 -0.09 -0.57 0.00 0.00 179.45 179.99 2qkc h ARG 99 N 0.75 0.52 0.00 3.15 2.43 -0.99 0.50 114.38 120.75 2qkc h ARG 99 Ca 0.15 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 2qkc h ARG 99 Cb 0.43 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 2qkc h ARG 99 CO 0.01 0.35 -1.40 -0.25 -1.51 0.00 0.00 179.97 177.17 2qkc n ASP 100 N -4.86 0.50 0.00 -3.80 8.00 -0.42 -4.47 116.55 111.49 2qkc n ASP 100 Ca 0.05 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.71 2qkc n ASP 100 Cb 0.14 1.09 0.00 0.00 -0.02 0.00 0.00 41.12 42.33 2qkc n ASP 100 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2qkc n PHE 101 N -2.46 0.00 0.00 1.24 3.72 0.66 -5.03 117.46 115.59 2qkc n PHE 101 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 2qkc n PHE 101 Cb 0.55 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.09 2qkc n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qkc n GLY 102 N 0.31 2.60 3.76 1.37 0.00 0.17 -4.54 105.19 108.86 2qkc n GLY 102 Ca 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 2qkc n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qkc s SER 103 N 0.00 -0.31 0.19 1.61 1.04 -1.26 -4.71 113.70 110.26 2qkc s SER 103 Ca 0.00 -0.51 -0.10 0.00 0.48 0.00 0.00 55.95 55.82 2qkc s SER 103 Cb 0.00 0.70 0.09 0.00 0.10 0.00 0.00 66.02 66.91 2qkc s SER 103 CO 0.00 -1.26 1.70 0.15 0.98 0.00 0.00 173.24 174.81 2qkc h PHE 104 N 2.02 1.11 -0.19 5.02 3.57 -1.91 -2.31 116.94 124.24 2qkc h PHE 104 Ca -0.22 -0.13 -0.09 0.00 3.53 0.00 0.00 57.97 61.05 2qkc h PHE 104 Cb 1.26 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2qkc h PHE 104 CO 0.39 0.91 -0.29 -0.44 -2.23 0.00 0.00 178.31 176.66 2qkc h ASP 105 N 0.98 0.38 0.32 0.41 3.32 -1.96 -0.83 116.42 119.03 2qkc h ASP 105 Ca 0.21 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 57.00 2qkc h ASP 105 Cb 0.36 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2qkc h ASP 105 CO 0.00 0.66 -0.51 0.11 -1.72 0.00 0.00 179.24 177.78 2qkc h LYS 106 N 0.33 0.22 -0.12 3.56 1.57 -1.81 -1.41 116.57 118.91 2qkc h LYS 106 Ca 0.05 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2qkc h LYS 106 Cb 0.68 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.00 2qkc h LYS 106 CO 0.05 0.69 0.02 0.35 -0.57 0.00 0.00 179.45 179.98 2qkc h PHE 107 N 0.18 0.22 -0.39 -1.35 3.57 -0.85 -1.53 116.94 116.78 2qkc h PHE 107 Ca 0.01 -0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.52 2qkc h PHE 107 Cb 0.97 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 2qkc h PHE 107 CO 0.02 0.40 0.14 0.87 -2.23 0.00 0.00 178.31 177.51 2qkc h LYS 108 N -0.03 0.29 -0.03 1.11 1.57 -0.98 -0.69 116.57 117.80 2qkc h LYS 108 Ca 0.04 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2qkc h LYS 108 Cb 0.30 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 32.49 2qkc h LYS 108 CO 0.00 0.19 -0.49 1.49 -0.57 0.00 0.00 179.45 180.08 2qkc h GLU 109 N 0.30 -0.59 -0.58 3.15 4.81 -1.12 -0.45 114.58 120.10 2qkc h GLU 109 Ca 0.18 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.57 2qkc h GLU 109 Cb 0.16 0.13 -0.11 0.00 0.63 0.00 0.00 28.75 29.57 2qkc h GLU 109 CO -0.18 -0.39 -0.11 0.87 -0.73 0.00 0.00 179.01 178.46 2qkc h LYS 110 N -0.61 0.02 -0.24 1.92 1.79 -1.05 -2.23 116.57 116.17 2qkc h LYS 110 Ca 0.04 -0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.40 2qkc h LYS 110 Cb 0.69 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 2qkc h LYS 110 CO -0.36 0.02 -0.29 1.25 -1.08 0.00 0.00 179.45 178.98 2qkc h LEU 111 N 0.02 0.50 -0.33 2.94 5.85 -1.06 -2.23 115.31 121.00 2qkc h LEU 111 Ca 0.29 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 2qkc h LEU 111 Cb 0.44 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2qkc h LEU 111 CO -0.58 0.78 -0.04 0.74 -0.34 0.00 0.00 178.44 179.00 2qkc h THR 112 N 0.43 1.27 -0.77 1.05 2.02 -0.97 -1.54 112.91 114.39 2qkc h THR 112 Ca 0.06 -1.05 -0.03 0.00 0.77 0.00 0.00 66.41 66.15 2qkc h THR 112 Cb 0.73 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 2qkc h THR 112 CO 0.06 0.34 0.35 0.00 0.37 0.00 0.00 175.52 176.64 2qkc h ALA 113 N 0.83 1.00 -0.59 6.16 0.00 -1.15 -0.40 119.26 125.10 2qkc h ALA 113 Ca 0.09 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2qkc h ALA 113 Cb 0.52 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2qkc h ALA 113 CO 0.03 0.58 0.09 0.00 0.00 0.00 0.00 179.25 179.95 2qkc h ALA 114 N 1.18 0.79 -0.24 0.00 0.00 -1.31 -0.54 119.26 119.14 2qkc h ALA 114 Ca 0.26 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2qkc h ALA 114 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2qkc h ALA 114 CO -0.03 0.54 -0.08 0.77 0.00 0.00 0.00 179.25 180.46 2qkc h SER 115 N 0.89 0.49 0.45 0.00 0.02 -0.94 -3.06 113.55 111.40 2qkc h SER 115 Ca 0.18 -0.38 -0.09 0.00 -0.84 0.00 0.00 61.79 60.66 2qkc h SER 115 Cb 0.43 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 2qkc h SER 115 CO 0.01 0.76 -0.41 0.58 -1.14 0.00 0.00 176.83 176.63 2qkc h VAL 116 N 0.22 1.26 0.00 2.27 2.07 -1.04 -3.04 116.25 117.99 2qkc h VAL 116 Ca 0.06 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2qkc h VAL 116 Cb 0.56 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 2qkc h VAL 116 CO 0.03 0.40 0.00 0.61 0.02 0.00 0.00 177.57 178.63 2qkc n GLY 117 N -0.29 -1.19 3.68 2.17 0.00 -0.22 -4.83 105.19 104.51 2qkc n GLY 117 Ca -0.02 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2qkc n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qkc s VAL 118 N -2.67 2.76 -0.22 1.61 1.01 -1.15 -4.94 120.40 116.80 2qkc s VAL 118 Ca 0.21 0.10 -0.24 0.00 0.00 0.00 0.00 61.98 62.05 2qkc s VAL 118 Cb 0.17 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2qkc s VAL 118 CO 0.41 -0.00 0.80 -1.10 0.00 0.00 0.00 175.10 175.21 2qkc s GLN 119 N 3.30 4.22 3.67 2.72 -0.21 -1.26 -4.82 119.66 127.28 2qkc s GLN 119 Ca 0.82 0.92 0.00 0.00 0.02 0.00 0.00 55.36 57.13 2qkc s GLN 119 Cb -0.44 -3.62 0.00 0.00 1.00 0.00 0.00 33.01 29.95 2qkc s GLN 119 CO 0.37 -0.43 0.00 0.41 -2.12 0.00 0.00 175.29 173.53 2qkc n GLY 120 N 3.68 0.22 3.85 3.09 0.00 -1.26 -4.84 105.19 109.94 2qkc n GLY 120 Ca 0.04 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 2qkc n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qkc s SER 121 N -4.00 6.76 0.00 1.61 0.01 -1.26 -4.84 113.70 111.98 2qkc s SER 121 Ca 0.00 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2qkc s SER 121 Cb 0.00 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.97 2qkc s SER 121 CO 0.00 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.35 2qkc n GLY 122 N 0.70 -1.19 3.02 3.44 0.00 -1.26 -0.63 105.19 109.28 2qkc n GLY 122 Ca -0.05 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.89 2qkc n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qkc s TRP 123 N -3.00 0.50 -0.12 1.61 0.52 -0.05 -1.38 118.94 117.02 2qkc s TRP 123 Ca 0.00 -0.46 -0.03 0.00 0.02 0.00 0.00 56.10 55.63 2qkc s TRP 123 Cb 0.00 -0.31 -0.03 0.00 -1.15 0.00 0.00 33.47 31.98 2qkc s TRP 123 CO 0.00 -0.11 -0.01 0.20 0.02 0.00 0.00 176.95 177.05 2qkc s GLY 124 N -1.38 1.81 0.05 0.98 0.00 -0.48 -1.00 107.32 107.29 2qkc s GLY 124 Ca -0.11 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 43.85 2qkc s GLY 124 CO -0.00 -0.33 -0.12 -0.98 0.00 0.00 0.00 173.10 171.66 2qkc s TRP 125 N -0.32 1.05 -0.27 1.90 0.52 0.17 -0.84 118.94 121.15 2qkc s TRP 125 Ca 0.06 -0.42 -0.05 0.00 0.02 0.00 0.00 56.10 55.71 2qkc s TRP 125 Cb -0.12 -0.61 0.01 0.00 -1.15 0.00 0.00 33.47 31.60 2qkc s TRP 125 CO 0.02 0.01 0.03 -1.17 0.02 0.00 0.00 176.95 175.87 2qkc s LEU 126 N -1.46 3.52 0.33 2.99 2.96 -0.31 -1.42 118.68 125.29 2qkc s LEU 126 Ca -0.03 -0.64 0.04 0.00 -0.22 0.00 0.00 54.13 53.28 2qkc s LEU 126 Cb -0.09 -1.82 -0.06 0.00 0.50 0.00 0.00 46.19 44.72 2qkc s LEU 126 CO 0.01 -0.14 0.06 -0.83 -1.32 0.00 0.00 176.35 174.14 2qkc s GLY 127 N 1.47 2.11 -0.17 7.98 0.00 0.13 -1.18 107.32 117.67 2qkc s GLY 127 Ca 0.03 -1.98 -0.02 0.00 0.00 0.00 0.00 44.72 42.75 2qkc s GLY 127 CO 0.00 -1.81 -0.08 -0.12 0.00 0.00 0.00 173.10 171.09 2qkc s PHE 128 N -3.30 2.91 -0.53 1.90 5.36 0.10 0.05 117.98 124.47 2qkc s PHE 128 Ca 0.35 -0.66 -0.20 0.00 -0.96 0.00 0.00 56.93 55.46 2qkc s PHE 128 Cb 0.08 -1.96 0.06 0.00 -0.34 0.00 0.00 43.02 40.86 2qkc s PHE 128 CO 0.15 -0.28 0.73 1.21 -1.46 0.00 0.00 175.22 175.57 2qkc s ASN 129 N 0.72 6.25 0.34 6.13 3.84 -0.21 -1.37 114.94 130.64 2qkc s ASN 129 Ca -0.04 -0.82 0.02 0.00 0.21 0.00 0.00 52.86 52.24 2qkc s ASN 129 Cb -0.15 -2.33 0.63 0.00 -0.55 0.00 0.00 41.25 38.84 2qkc s ASN 129 CO 0.02 -1.02 1.98 0.11 -2.79 0.00 0.00 177.10 175.39 2qkc h LYS 130 N 9.12 0.86 0.29 0.43 1.79 -1.86 0.40 116.57 127.60 2qkc h LYS 130 Ca -0.27 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.13 2qkc h LYS 130 Cb 1.09 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 2qkc h LYS 130 CO 1.02 0.57 -0.14 0.93 -1.08 0.00 0.00 179.45 180.75 2qkc h GLU 131 N 0.89 -0.38 0.00 3.15 5.08 -1.96 -3.29 114.58 118.07 2qkc h GLU 131 Ca 0.29 0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.52 2qkc h GLU 131 Cb 0.04 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2qkc h GLU 131 CO -0.08 -0.11 -0.85 0.00 -1.00 0.00 0.00 179.01 176.97 2qkc h ARG 132 N -0.61 0.00 0.00 2.33 2.47 -1.97 -3.48 114.38 113.12 2qkc h ARG 132 Ca -0.04 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2qkc h ARG 132 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.76 2qkc h ARG 132 CO 0.07 0.60 0.00 0.41 0.56 0.00 0.00 179.97 181.60 2qkc n GLY 133 N 1.30 0.38 3.39 0.04 0.00 0.14 -5.05 105.19 105.38 2qkc n GLY 133 Ca -0.02 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 2qkc n GLY 133 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qkc s HIS 134 N -2.00 1.83 0.46 1.61 3.76 -1.19 -4.97 115.29 114.79 2qkc s HIS 134 Ca 0.00 -0.64 -0.20 0.00 -0.15 0.00 0.00 55.06 54.08 2qkc s HIS 134 Cb 0.00 -0.95 -0.10 0.00 1.11 0.00 0.00 32.58 32.64 2qkc s HIS 134 CO 0.00 0.32 0.96 -0.51 -0.85 0.00 0.00 174.74 174.66 2qkc s LEU 135 N -3.38 3.85 -0.11 0.89 1.43 -1.26 -1.05 118.68 119.05 2qkc s LEU 135 Ca 0.26 1.67 -0.12 0.00 -1.03 0.00 0.00 54.13 54.90 2qkc s LEU 135 Cb 0.01 -4.53 0.03 0.00 0.03 0.00 0.00 46.19 41.73 2qkc s LEU 135 CO 0.09 -0.44 0.34 -1.58 0.23 0.00 0.00 176.35 174.99 2qkc s GLN 136 N -3.43 0.44 -0.16 1.70 0.74 0.11 -4.86 119.66 114.21 2qkc s GLN 136 Ca 0.61 0.38 -0.08 0.00 0.05 0.00 0.00 55.36 56.32 2qkc s GLN 136 Cb -0.10 0.21 -0.04 0.00 1.10 0.00 0.00 33.01 34.18 2qkc s GLN 136 CO 0.18 -0.07 0.13 0.42 -0.55 0.00 0.00 175.29 175.41 2qkc s ILE 137 N -0.05 5.41 0.05 -2.34 1.01 -1.26 0.21 121.20 124.23 2qkc s ILE 137 Ca -0.02 0.18 -0.10 0.00 0.00 0.00 0.00 60.65 60.72 2qkc s ILE 137 Cb -0.03 -3.41 0.00 0.00 0.01 0.00 0.00 42.46 39.04 2qkc s ILE 137 CO 0.01 0.54 0.20 0.00 0.00 0.00 0.00 174.94 175.69 2qkc s ALA 138 N -0.39 -0.36 -0.03 9.38 0.00 -0.51 -4.99 121.76 124.87 2qkc s ALA 138 Ca 0.12 -0.32 0.06 0.00 0.00 0.00 0.00 51.96 51.82 2qkc s ALA 138 Cb -0.12 0.31 -0.01 0.00 0.00 0.00 0.00 23.12 23.30 2qkc s ALA 138 CO 0.01 -0.39 -0.22 0.00 0.00 0.00 0.00 175.76 175.17 2qkc s ALA 139 N -2.76 1.84 0.01 0.00 0.00 -1.26 0.46 121.76 120.05 2qkc s ALA 139 Ca -0.04 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.07 2qkc s ALA 139 Cb -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 2qkc s ALA 139 CO -0.05 0.43 -0.23 0.00 0.00 0.00 0.00 175.76 175.90 2qkc s PRO 141 N -0.82 4.12 2.34 0.00 0.04 -1.26 -0.87 135.00 138.55 2qkc s PRO 141 Ca 0.09 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2qkc s PRO 141 Cb -0.09 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2qkc s PRO 141 CO 0.00 -0.10 0.00 0.09 0.04 0.00 0.00 177.00 177.04 2qkc n ASN 142 N -0.94 0.00 -0.77 6.66 3.02 0.20 -1.55 115.26 121.88 2qkc n ASN 142 Ca 0.07 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.68 2qkc n ASN 142 Cb 0.54 0.00 0.19 0.00 -0.61 0.00 0.00 39.78 39.90 2qkc n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2qkc n GLN 143 N 14.00 2.92 -1.68 3.52 1.13 -1.26 -4.14 117.38 131.87 2qkc n GLN 143 Ca 0.00 -2.28 -0.50 0.00 -1.94 0.00 0.00 57.00 52.28 2qkc n GLN 143 Cb 0.00 -1.43 -0.05 0.00 0.11 0.00 0.00 30.24 28.87 2qkc n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2qkc n ASP 144 N 0.39 3.21 -4.78 1.08 9.92 -0.60 -3.99 116.55 121.77 2qkc n ASP 144 Ca 0.15 0.95 -0.36 0.00 -0.53 0.00 0.00 54.79 55.00 2qkc n ASP 144 Cb 0.55 -1.33 -0.04 0.00 -0.64 0.00 0.00 41.12 39.67 2qkc n ASP 144 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 2qkc s PRO 145 N 4.15 4.06 0.07 -0.24 0.04 -1.26 -4.71 135.00 137.10 2qkc s PRO 145 Ca 0.95 1.51 -0.35 0.00 0.04 0.00 0.00 61.00 63.15 2qkc s PRO 145 Cb -0.76 -2.45 -0.18 0.00 0.04 0.00 0.00 34.50 31.15 2qkc s PRO 145 CO 0.54 -0.24 1.54 1.25 0.04 0.00 0.00 177.00 180.13 2qkc h LEU 146 N 2.28 -1.22 0.10 -3.56 5.85 -1.90 -2.64 115.31 114.22 2qkc h LEU 146 Ca -0.49 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.30 2qkc h LEU 146 Cb 1.22 0.36 0.00 0.00 0.37 0.00 0.00 40.66 42.61 2qkc h LEU 146 CO 0.61 -0.72 -0.05 -0.61 -0.34 0.00 0.00 178.44 177.34 2qkc h GLN 147 N -1.14 -0.12 -0.15 1.25 4.15 -1.86 0.37 115.11 117.60 2qkc h GLN 147 Ca -0.10 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.37 2qkc h GLN 147 Cb 0.92 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 2qkc h GLN 147 CO 0.08 -0.03 0.12 0.78 -1.93 0.00 0.00 178.83 177.85 2qkc h GLY 148 N -0.18 0.00 0.00 2.39 0.00 -1.87 0.13 103.07 103.54 2qkc h GLY 148 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.29 2qkc h GLY 148 CO 0.02 0.00 -1.74 -1.30 0.00 0.00 0.00 176.54 173.52 2qkc n THR 149 N -4.31 0.10 0.00 4.70 -2.24 -0.99 -4.73 114.28 106.80 2qkc n THR 149 Ca 0.01 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 2qkc n THR 149 Cb 0.24 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 2qkc n THR 149 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2qkc n THR 150 N -2.09 0.00 0.00 4.28 -2.24 0.11 -5.01 114.28 109.33 2qkc n THR 150 Ca -0.05 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2qkc n THR 150 Cb 0.46 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 2qkc n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qkc n GLY 151 N 1.77 2.14 3.77 3.38 0.00 0.46 -5.00 105.19 111.71 2qkc n GLY 151 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2qkc n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qkc s LEU 152 N 0.00 4.23 -0.18 0.99 1.43 -1.26 -4.78 118.68 119.11 2qkc s LEU 152 Ca 0.00 2.17 -0.23 0.00 -1.03 0.00 0.00 54.13 55.04 2qkc s LEU 152 Cb 0.00 -4.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.17 2qkc s LEU 152 CO 0.00 -0.48 0.75 -0.63 0.23 0.00 0.00 176.35 176.22 2qkc s ILE 153 N -1.49 4.94 0.16 -0.59 -1.09 -0.47 -2.80 121.20 119.86 2qkc s ILE 153 Ca 0.55 1.45 -0.30 0.00 -2.23 0.00 0.00 60.65 60.11 2qkc s ILE 153 Cb -0.26 -4.06 -0.08 0.00 -1.58 0.00 0.00 42.46 36.48 2qkc s ILE 153 CO 0.33 0.07 1.26 -2.16 -1.23 0.00 0.00 174.94 173.21 2qkc s PRO 154 N 2.00 4.43 -0.06 2.79 0.04 -1.26 0.02 135.00 142.95 2qkc s PRO 154 Ca 0.34 1.94 -0.00 0.00 0.04 0.00 0.00 61.00 63.32 2qkc s PRO 154 Cb -0.16 -3.25 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 2qkc s PRO 154 CO 0.12 -0.22 -0.06 1.28 0.04 0.00 0.00 177.00 178.16 2qkc n LEU 155 N 3.02 2.36 -3.70 -3.56 4.77 -0.32 -4.92 117.00 114.65 2qkc n LEU 155 Ca 0.07 -0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.92 2qkc n LEU 155 Cb 0.44 -0.19 -0.13 0.00 -2.33 0.00 0.00 43.42 41.21 2qkc n LEU 155 CO 0.57 0.48 -0.09 -0.22 -1.33 0.00 0.00 177.39 176.79 2qkc s LEU 156 N -5.57 0.11 0.05 2.23 2.96 -1.00 -4.55 118.68 112.91 2qkc s LEU 156 Ca -0.08 0.62 0.09 0.00 -0.22 0.00 0.00 54.13 54.54 2qkc s LEU 156 Cb 0.02 0.84 -0.03 0.00 0.50 0.00 0.00 46.19 47.53 2qkc s LEU 156 CO 0.12 -0.19 -0.24 -0.83 -1.32 0.00 0.00 176.35 173.89 2qkc s GLY 157 N 1.62 1.30 -0.19 7.98 0.00 -1.26 -1.16 107.32 115.61 2qkc s GLY 157 Ca -0.06 -1.20 0.01 0.00 0.00 0.00 0.00 44.72 43.46 2qkc s GLY 157 CO -0.09 -1.11 -0.10 -0.42 0.00 0.00 0.00 173.10 171.37 2qkc s ILE 158 N -0.83 1.58 -0.25 0.90 1.01 -0.02 -4.86 121.20 118.72 2qkc s ILE 158 Ca 0.10 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.52 2qkc s ILE 158 Cb -0.10 -1.66 0.00 0.00 0.01 0.00 0.00 42.46 40.72 2qkc s ILE 158 CO 0.02 0.19 1.16 -0.62 0.00 0.00 0.00 174.94 175.69 2qkc s ASP 159 N 1.43 6.93 -0.20 3.58 -1.08 -1.26 -1.39 116.67 124.68 2qkc s ASP 159 Ca -0.01 1.34 0.15 0.00 -0.52 0.00 0.00 52.55 53.51 2qkc s ASP 159 Cb -0.16 -2.54 0.46 0.00 -1.46 0.00 0.00 42.92 39.22 2qkc s ASP 159 CO -0.08 -0.83 1.36 1.33 0.52 0.00 0.00 175.17 177.47 2qkc n VAL 160 N 5.65 2.26 -2.17 1.11 0.24 -0.48 -4.82 118.33 120.12 2qkc n VAL 160 Ca 0.13 -2.28 -0.37 0.00 -2.04 0.00 0.00 64.34 59.79 2qkc n VAL 160 Cb 0.46 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 2qkc n VAL 160 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 2qkc s TRP 161 N -2.98 2.70 0.54 6.34 0.52 -1.23 -4.44 118.94 120.40 2qkc s TRP 161 Ca 0.40 1.52 0.21 0.00 0.02 0.00 0.00 56.10 58.25 2qkc s TRP 161 Cb 0.35 -3.42 1.42 0.00 -1.15 0.00 0.00 33.47 30.67 2qkc s TRP 161 CO 0.04 -1.77 2.15 0.93 0.02 0.00 0.00 176.95 178.32 2qkc h GLU 162 N 1.63 0.00 0.00 4.98 5.08 -1.94 -1.66 114.58 122.67 2qkc h GLU 162 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 2qkc h GLU 162 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2qkc h GLU 162 CO 0.58 0.00 0.00 1.12 -1.00 0.00 0.00 179.01 179.71 2qkc h HIS 163 N 0.00 0.00 -0.08 4.33 2.07 -1.98 0.13 115.15 119.62 2qkc h HIS 163 Ca 0.04 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.49 2qkc h HIS 163 Cb 0.17 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.14 2qkc h HIS 163 CO 0.00 0.00 -0.29 0.00 -3.07 0.00 0.00 177.93 174.57 2qkc h ALA 164 N 2.13 1.37 0.00 6.11 0.00 -1.62 -3.41 119.26 123.84 2qkc h ALA 164 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2qkc h ALA 164 Cb 0.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qkc h ALA 164 CO 0.00 0.45 0.00 2.48 0.00 0.00 0.00 179.25 182.18 2qkc n TYR 165 N -4.15 0.00 -0.23 0.00 0.18 -0.81 -4.93 117.16 107.23 2qkc n TYR 165 Ca -0.01 0.00 0.01 0.00 1.88 0.00 0.00 57.90 59.78 2qkc n TYR 165 Cb 0.37 0.00 0.13 0.00 -0.38 0.00 0.00 39.34 39.46 2qkc n TYR 165 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 2qkc h TYR 166 N 0.00 0.56 -0.52 -3.48 3.20 -0.96 0.15 116.97 115.92 2qkc h TYR 166 Ca 0.00 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.98 2qkc h TYR 166 Cb 0.04 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.13 2qkc h TYR 166 CO 0.00 0.19 0.35 -0.07 -1.64 0.00 0.00 178.16 176.99 2qkc h LEU 167 N 0.54 0.34 0.00 2.82 3.38 -1.88 0.36 115.31 120.87 2qkc h LEU 167 Ca 0.34 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.90 2qkc h LEU 167 Cb 0.37 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 2qkc h LEU 167 CO -0.28 0.21 -2.49 1.67 0.09 0.00 0.00 178.44 177.65 2qkc n GLN 168 N -4.47 0.63 -0.08 1.13 7.27 -0.88 -4.65 117.38 116.32 2qkc n GLN 168 Ca 0.08 0.18 0.07 0.00 0.07 0.00 0.00 57.00 57.40 2qkc n GLN 168 Cb 0.31 -1.50 0.11 0.00 2.41 0.00 0.00 30.24 31.56 2qkc n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2qkc n TYR 169 N -3.54 0.21 -1.04 3.69 4.01 0.47 -5.07 117.16 115.89 2qkc n TYR 169 Ca -0.48 -0.18 0.00 0.00 -0.16 0.00 0.00 57.90 57.08 2qkc n TYR 169 Cb 0.96 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.98 2qkc n TYR 169 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2qkc n LYS 170 N 0.78 0.00 0.00 -0.72 4.01 0.11 -1.55 118.16 120.80 2qkc n LYS 170 Ca 0.10 0.00 0.12 0.00 -0.51 0.00 0.00 58.31 58.02 2qkc n LYS 170 Cb 0.39 0.00 0.54 0.00 -0.51 0.00 0.00 35.03 35.45 2qkc n LYS 170 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 2qkc n ASN 171 N 1.72 0.00 -4.35 4.39 6.94 -1.26 -4.32 115.26 118.38 2qkc n ASN 171 Ca 0.00 0.37 -0.43 0.00 -0.02 0.00 0.00 54.58 54.49 2qkc n ASN 171 Cb 0.00 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 36.97 2qkc n ASN 171 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 2qkc n VAL 172 N -1.45 4.00 -0.32 3.53 0.31 -0.59 -4.80 118.33 119.01 2qkc n VAL 172 Ca 0.07 -4.14 0.10 0.00 -0.01 0.00 0.00 64.34 60.36 2qkc n VAL 172 Cb 0.26 -2.42 0.31 0.00 -0.91 0.00 0.00 33.84 31.08 2qkc n VAL 172 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2qkc h ARG 173 N 7.02 0.82 -0.37 5.55 2.43 -1.83 -1.79 114.38 126.21 2qkc h ARG 173 Ca 0.43 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.56 2qkc h ARG 173 Cb 0.81 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 2qkc h ARG 173 CO 1.48 0.54 0.24 -1.35 -1.51 0.00 0.00 179.97 179.38 2qkc h PRO 174 N 0.84 0.46 -0.51 0.20 0.11 -1.97 -1.74 132.00 129.39 2qkc h PRO 174 Ca 0.48 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.44 2qkc h PRO 174 Cb 0.61 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.60 2qkc h PRO 174 CO -0.24 0.31 -0.16 -0.44 -0.21 0.00 0.00 178.00 177.26 2qkc h ASP 175 N 0.48 1.03 -0.22 -2.05 3.32 -1.71 -1.56 116.42 115.71 2qkc h ASP 175 Ca 0.14 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.82 2qkc h ASP 175 Cb -0.02 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 2qkc h ASP 175 CO -0.03 1.17 0.13 0.22 -1.72 0.00 0.00 179.24 179.00 2qkc h TYR 176 N 0.88 0.24 -0.14 4.55 3.20 -1.28 -2.02 116.97 122.40 2qkc h TYR 176 Ca 0.13 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.92 2qkc h TYR 176 Cb 0.73 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 2qkc h TYR 176 CO 0.05 0.15 -0.29 -0.07 -1.64 0.00 0.00 178.16 176.36 2qkc h LEU 177 N 0.27 0.26 -0.81 2.82 4.07 -1.24 -1.70 115.31 118.98 2qkc h LEU 177 Ca 0.08 -0.09 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 2qkc h LEU 177 Cb -0.01 -0.07 -0.02 0.00 1.08 0.00 0.00 40.66 41.64 2qkc h LEU 177 CO -0.03 0.55 -0.17 0.50 -1.08 0.00 0.00 178.44 178.21 2qkc h LYS 178 N 0.23 0.71 0.01 1.13 3.64 -1.02 -3.17 116.57 118.11 2qkc h LYS 178 Ca 0.03 -0.26 -0.22 0.00 -1.27 0.00 0.00 60.65 58.93 2qkc h LYS 178 Cb 0.63 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2qkc h LYS 178 CO 0.05 0.84 -0.94 0.00 -2.27 0.00 0.00 179.45 177.12 2qkc h ALA 179 N 1.17 0.37 0.00 5.00 0.00 -0.99 -3.30 119.26 121.52 2qkc h ALA 179 Ca 0.10 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 2qkc h ALA 179 Cb 0.64 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2qkc h ALA 179 CO 0.05 0.83 -0.06 0.97 0.00 0.00 0.00 179.25 181.04 2qkc h ILE 180 N 0.21 0.49 0.00 0.00 2.10 -1.29 -2.30 117.51 116.72 2qkc h ILE 180 Ca -0.08 -0.28 -0.01 0.00 1.08 0.00 0.00 64.86 65.58 2qkc h ILE 180 Cb 1.58 1.18 -0.00 0.00 -1.09 0.00 0.00 36.82 38.50 2qkc h ILE 180 CO 0.16 0.06 -0.04 -0.50 -1.08 0.00 0.00 178.15 176.75 2qkc h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.64 -2.04 115.95 118.52 2qkc h TRP 181 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2qkc h TRP 181 Cb 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.34 2qkc h TRP 181 CO 0.00 0.04 0.00 0.09 -3.56 0.00 0.00 178.44 175.01 2qkc n ASN 182 N -3.56 0.40 -0.06 -3.49 5.03 -0.86 -3.59 115.26 109.13 2qkc n ASN 182 Ca -0.02 0.56 0.03 0.00 0.87 0.00 0.00 54.58 56.02 2qkc n ASN 182 Cb 0.15 -0.66 0.05 0.00 -1.02 0.00 0.00 39.78 38.29 2qkc n ASN 182 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2qkc n VAL 183 N -1.90 1.10 -2.13 2.41 0.24 -0.77 -2.82 118.33 114.46 2qkc n VAL 183 Ca 0.05 -1.22 -0.42 0.00 -2.04 0.00 0.00 64.34 60.70 2qkc n VAL 183 Cb 0.30 0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 32.96 2qkc n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2qkc s ILE 184 N -1.42 3.17 -1.01 1.34 -1.09 -1.18 -0.45 121.20 120.56 2qkc s ILE 184 Ca 0.10 0.84 -0.18 0.00 -2.23 0.00 0.00 60.65 59.19 2qkc s ILE 184 Cb 0.09 -3.54 0.13 0.00 -1.58 0.00 0.00 42.46 37.56 2qkc s ILE 184 CO 0.01 0.07 1.25 0.21 -1.23 0.00 0.00 174.94 175.25 2qkc s ASN 185 N 1.09 6.71 0.52 3.58 3.84 0.17 -1.02 114.94 129.83 2qkc s ASN 185 Ca 0.65 -2.19 0.23 0.00 0.21 0.00 0.00 52.86 51.76 2qkc s ASN 185 Cb -0.38 -2.42 1.40 0.00 -0.55 0.00 0.00 41.25 39.29 2qkc s ASN 185 CO 0.31 -1.05 2.10 -0.50 -2.79 0.00 0.00 177.10 175.17 2qkc h TRP 186 N 8.55 0.00 -0.08 0.43 4.06 -1.88 -1.95 115.95 125.08 2qkc h TRP 186 Ca 0.21 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 61.10 2qkc h TRP 186 Cb 0.99 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.14 2qkc h TRP 186 CO 1.18 0.10 -0.22 1.49 -3.56 0.00 0.00 178.44 177.42 2qkc h GLU 187 N 0.00 0.14 0.20 0.49 4.81 -1.97 0.70 114.58 118.94 2qkc h GLU 187 Ca -0.00 -0.04 -0.27 0.00 -0.13 0.00 0.00 59.36 58.92 2qkc h GLU 187 Cb 0.21 -0.02 0.03 0.00 0.63 0.00 0.00 28.75 29.61 2qkc h GLU 187 CO 0.01 0.36 -1.18 -0.97 -0.73 0.00 0.00 179.01 176.50 2qkc h ASN 188 N 0.13 0.65 -0.89 1.04 -0.73 -1.67 -2.83 115.58 111.29 2qkc h ASN 188 Ca 0.02 -0.93 -0.02 0.00 1.87 0.00 0.00 56.30 57.24 2qkc h ASN 188 Cb 0.47 -0.21 -0.04 0.00 0.27 0.00 0.00 38.32 38.80 2qkc h ASN 188 CO 0.03 1.57 0.47 0.58 -0.37 0.00 0.00 177.43 179.71 2qkc h VAL 189 N -0.11 1.26 -0.31 2.57 2.07 -1.26 -1.93 116.25 118.54 2qkc h VAL 189 Ca -0.21 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.63 2qkc h VAL 189 Cb 1.91 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2qkc h VAL 189 CO 0.21 0.30 0.18 0.74 0.02 0.00 0.00 177.57 179.02 2qkc h THR 190 N 1.25 1.12 0.00 2.57 2.02 -0.92 -1.03 112.91 117.93 2qkc h THR 190 Ca 0.31 -0.30 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 2qkc h THR 190 Cb 0.05 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2qkc h THR 190 CO -0.05 0.12 -0.26 1.05 0.37 0.00 0.00 175.52 176.75 2qkc h GLU 191 N 0.39 0.00 -0.18 6.66 4.11 -1.23 0.74 114.58 125.07 2qkc h GLU 191 Ca 0.11 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.37 2qkc h GLU 191 Cb 0.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 2qkc h GLU 191 CO -0.02 0.26 -0.57 0.00 0.07 0.00 0.00 179.01 178.75 2qkc h ARG 192 N 0.00 0.57 -0.35 1.06 3.08 -1.03 -1.90 114.38 115.82 2qkc h ARG 192 Ca -0.00 -0.38 -0.07 0.00 0.07 0.00 0.00 59.98 59.61 2qkc h ARG 192 Cb 0.74 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 2qkc h ARG 192 CO 0.03 0.99 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.96 2qkc h TYR 193 N 0.44 0.71 0.00 3.04 3.20 -0.40 -2.96 116.97 120.99 2qkc h TYR 193 Ca 0.00 -0.14 -0.06 0.00 3.14 0.00 0.00 58.73 61.67 2qkc h TYR 193 Cb 1.13 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 39.21 2qkc h TYR 193 CO 0.05 0.78 -0.29 0.52 -1.64 0.00 0.00 178.16 177.58 2qkc h MET 194 N 0.44 0.00 0.00 1.82 2.86 -0.80 -2.76 114.93 116.49 2qkc h MET 194 Ca 0.09 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2qkc h MET 194 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2qkc h MET 194 CO 0.03 0.29 -0.22 0.00 1.06 0.00 0.00 176.91 178.07 2qkc h ALA 195 N 1.71 1.10 0.00 6.32 0.00 -1.17 -3.51 119.26 123.71 2qkc h ALA 195 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2qkc h ALA 195 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2qkc h ALA 195 CO 0.04 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.56