#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbg s THR 2 N 0.00 0.03 0.24 1.12 2.01 -1.26 -5.03 115.64 112.74 2qbg s THR 2 Ca 0.00 -0.23 -0.09 0.00 0.31 0.00 0.00 61.69 61.68 2qbg s THR 2 Cb 0.00 -0.62 0.26 0.00 0.01 0.00 0.00 72.50 72.16 2qbg s THR 2 CO 0.00 -0.13 1.64 -0.07 -0.69 0.00 0.00 174.62 175.37 2qbg h LEU 3 N 4.52 -0.38 -0.13 4.42 4.07 -2.00 0.93 115.31 126.74 2qbg h LEU 3 Ca -0.28 0.19 0.04 0.00 0.08 0.00 0.00 57.88 57.91 2qbg h LEU 3 Cb 1.18 0.34 -0.04 0.00 1.08 0.00 0.00 40.66 43.22 2qbg h LEU 3 CO 0.34 -0.17 -0.12 0.50 -1.08 0.00 0.00 178.44 177.90 2qbg h LYS 4 N 0.09 -0.14 -0.48 1.13 3.11 -1.99 0.97 116.57 119.26 2qbg h LYS 4 Ca 0.38 0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 58.13 2qbg h LYS 4 Cb 0.65 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.90 2qbg h LYS 4 CO -0.65 -0.09 -0.11 0.93 -2.81 0.00 0.00 179.45 176.72 2qbg h GLU 5 N -0.14 0.88 0.46 1.90 5.08 -1.47 -1.33 114.58 119.95 2qbg h GLU 5 Ca 0.09 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2qbg h GLU 5 Cb 0.27 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2qbg h GLU 5 CO -0.21 0.95 -0.46 1.25 -1.00 0.00 0.00 179.01 179.53 2qbg h LEU 6 N 0.79 -1.27 -0.43 1.33 6.46 0.15 0.12 115.31 122.46 2qbg h LEU 6 Ca 0.13 0.10 0.09 0.00 -0.12 0.00 0.00 57.88 58.08 2qbg h LEU 6 Cb 0.63 0.42 -0.08 0.00 -0.73 0.00 0.00 40.66 40.90 2qbg h LEU 6 CO 0.04 -0.62 -0.13 1.88 -0.62 0.00 0.00 178.44 178.99 2qbg h TYR 7 N -0.93 -0.29 -0.55 1.25 0.05 -0.72 0.22 116.97 116.00 2qbg h TYR 7 Ca -0.05 0.04 0.11 0.00 0.05 0.00 0.00 58.73 58.88 2qbg h TYR 7 Cb 0.82 0.19 -0.10 0.00 1.01 0.00 0.00 36.73 38.65 2qbg h TYR 7 CO -0.24 -0.21 -0.11 0.00 -1.05 0.00 0.00 178.16 176.55 2qbg h ALA 8 N 1.38 0.40 -0.54 3.88 0.00 -0.60 -0.07 119.26 123.70 2qbg h ALA 8 Ca 0.21 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 2qbg h ALA 8 Cb 0.34 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2qbg h ALA 8 CO -0.46 -0.43 0.32 1.49 0.00 0.00 0.00 179.25 180.18 2qbg h GLU 9 N 0.02 0.74 0.21 0.00 4.81 0.73 -0.61 114.58 120.48 2qbg h GLU 9 Ca 0.27 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2qbg h GLU 9 Cb 0.42 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 2qbg h GLU 9 CO -0.55 0.54 -0.27 1.15 -0.73 0.00 0.00 179.01 179.15 2qbg h THR 10 N 0.73 0.42 -0.97 0.32 2.02 0.44 -1.10 112.91 114.77 2qbg h THR 10 Ca 0.19 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.47 2qbg h THR 10 Cb -0.00 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 66.75 2qbg h THR 10 CO -0.04 0.00 0.61 -0.09 0.37 0.00 0.00 175.52 176.37 2qbg h ARG 11 N -0.54 1.01 0.00 6.66 2.43 -0.92 -1.53 114.38 121.48 2qbg h ARG 11 Ca 0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2qbg h ARG 11 Cb 0.52 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2qbg h ARG 11 CO -0.10 0.67 0.00 0.45 -1.51 0.00 0.00 179.97 179.48 2qbg n SER 12 N -4.59 0.00 -0.21 -3.80 2.88 -0.25 -1.04 113.62 106.60 2qbg n SER 12 Ca 0.16 0.97 0.01 0.00 -1.33 0.00 0.00 58.87 58.68 2qbg n SER 12 Cb 0.26 -0.47 0.09 0.00 -0.75 0.00 0.00 64.21 63.34 2qbg n SER 12 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2qbg h HIS 13 N 0.00 -0.18 -0.82 0.66 3.86 -1.15 0.29 115.15 117.81 2qbg h HIS 13 Ca 0.00 0.05 0.13 0.00 -1.16 0.00 0.00 60.37 59.39 2qbg h HIS 13 Cb 0.00 0.18 -0.06 0.00 1.06 0.00 0.00 27.41 28.59 2qbg h HIS 13 CO -0.01 -0.22 0.54 0.52 0.86 0.00 0.00 177.93 179.61 2qbg h MET 14 N 0.06 0.59 -0.47 2.45 2.07 -1.22 0.16 114.93 118.58 2qbg h MET 14 Ca 0.32 -0.04 -0.11 0.00 -2.07 0.00 0.00 59.70 57.80 2qbg h MET 14 Cb 0.52 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 30.10 2qbg h MET 14 CO -0.60 0.39 -0.16 0.37 1.07 0.00 0.00 176.91 177.99 2qbg h GLN 15 N 0.61 0.91 0.41 1.72 5.75 0.12 -0.90 115.11 123.72 2qbg h GLN 15 Ca 0.40 -0.34 -0.01 0.00 -0.15 0.00 0.00 58.65 58.54 2qbg h GLN 15 Cb 0.69 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.18 2qbg h GLN 15 CO -0.16 0.99 -0.34 0.87 -2.65 0.00 0.00 178.83 177.54 2qbg h LYS 16 N 0.80 -0.70 -0.78 1.69 6.56 0.36 0.11 116.57 124.61 2qbg h LYS 16 Ca 0.12 0.05 0.12 0.00 -1.06 0.00 0.00 60.65 59.87 2qbg h LYS 16 Cb 0.69 0.16 -0.05 0.00 -0.57 0.00 0.00 32.23 32.46 2qbg h LYS 16 CO 0.05 -0.47 0.51 0.77 -2.06 0.00 0.00 179.45 178.25 2qbg h SER 17 N -0.73 0.56 0.52 0.86 0.02 -1.38 -1.29 113.55 112.11 2qbg h SER 17 Ca -0.05 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 2qbg h SER 17 Cb 0.61 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.06 2qbg h SER 17 CO -0.01 0.31 -0.28 0.25 -1.14 0.00 0.00 176.83 175.97 2qbg h LEU 18 N 0.61 -0.67 -1.67 5.07 5.85 -0.65 -1.81 115.31 122.03 2qbg h LEU 18 Ca 0.37 0.03 0.10 0.00 0.84 0.00 0.00 57.88 59.22 2qbg h LEU 18 Cb 0.60 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2qbg h LEU 18 CO -0.14 -0.45 0.39 -0.33 -0.34 0.00 0.00 178.44 177.57 2qbg h GLU 19 N -0.74 0.36 -0.37 1.25 5.08 0.01 0.83 114.58 121.00 2qbg h GLU 19 Ca -0.07 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2qbg h GLU 19 Cb 0.58 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 2qbg h GLU 19 CO 0.09 0.24 0.18 0.28 -1.00 0.00 0.00 179.01 178.80 2qbg h VAL 20 N 0.37 0.97 -0.71 3.13 2.07 -0.56 -1.34 116.25 120.17 2qbg h VAL 20 Ca 0.27 -0.13 0.13 0.00 0.82 0.00 0.00 66.70 67.79 2qbg h VAL 20 Cb 0.58 0.57 -0.09 0.00 -1.52 0.00 0.00 31.29 30.84 2qbg h VAL 20 CO -0.07 0.07 0.28 0.25 0.02 0.00 0.00 177.57 178.12 2qbg h LEU 21 N 0.37 0.27 -0.59 2.57 5.85 -0.04 -0.28 115.31 123.45 2qbg h LEU 21 Ca 0.16 0.10 0.05 0.00 0.84 0.00 0.00 57.88 59.02 2qbg h LEU 21 Cb 0.07 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2qbg h LEU 21 CO -0.11 0.12 0.33 -0.33 -0.34 0.00 0.00 178.44 178.10 2qbg h GLU 22 N 0.44 0.61 0.86 1.25 5.08 -0.91 -0.28 114.58 121.63 2qbg h GLU 22 Ca 0.38 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 2qbg h GLU 22 Cb 0.54 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.66 2qbg h GLU 22 CO -0.37 0.40 -0.41 1.25 -1.00 0.00 0.00 179.01 178.88 2qbg h HIS 23 N 0.62 -1.07 -0.54 4.33 2.76 -0.33 -0.57 115.15 120.36 2qbg h HIS 23 Ca 0.26 -0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.50 2qbg h HIS 23 Cb 0.13 0.35 -0.11 0.00 1.55 0.00 0.00 27.41 29.34 2qbg h HIS 23 CO -0.08 -0.67 -0.32 -0.91 -1.30 0.00 0.00 177.93 174.65 2qbg h ASN 24 N -1.17 -1.10 -0.10 3.26 4.21 -0.97 0.55 115.58 120.26 2qbg h ASN 24 Ca -0.12 0.21 0.02 0.00 1.21 0.00 0.00 56.30 57.63 2qbg h ASN 24 Cb 0.88 0.54 -0.02 0.00 -1.12 0.00 0.00 38.32 38.61 2qbg h ASN 24 CO 0.19 -0.30 -0.05 -0.07 -1.29 0.00 0.00 177.43 175.91 2qbg h LEU 25 N -0.18 -0.16 -0.93 1.61 3.38 -1.03 -2.80 115.31 115.20 2qbg h LEU 25 Ca 0.22 0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.29 2qbg h LEU 25 Cb 0.54 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 2qbg h LEU 25 CO -0.64 -0.07 0.59 0.00 0.09 0.00 0.00 178.44 178.41 2qbg h ALA 26 N 1.05 1.29 -0.12 1.53 0.00 -0.02 -2.64 119.26 120.36 2qbg h ALA 26 Ca 0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2qbg h ALA 26 Cb 0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2qbg h ALA 26 CO -0.13 0.35 0.03 0.41 0.00 0.00 0.00 179.25 179.91 2qbg n GLY 27 N -1.34 1.92 3.59 0.00 0.00 0.08 -4.85 105.19 104.58 2qbg n GLY 27 Ca 0.14 -0.17 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 2qbg n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbg s LEU 28 N -0.51 4.13 -0.32 0.99 1.43 -1.00 -5.00 118.68 118.40 2qbg s LEU 28 Ca 0.10 0.20 -0.38 0.00 -1.03 0.00 0.00 54.13 53.02 2qbg s LEU 28 Cb 0.08 -2.46 -0.14 0.00 0.03 0.00 0.00 46.19 43.70 2qbg s LEU 28 CO 0.03 -0.25 2.00 -1.14 0.23 0.00 0.00 176.35 177.21 2qbg n ARG 29 N 5.41 1.05 0.00 1.70 0.63 -1.26 -4.93 116.66 119.27 2qbg n ARG 29 Ca -0.08 0.34 0.00 0.00 -0.92 0.00 0.00 57.85 57.19 2qbg n ARG 29 Cb 0.50 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 31.18 2qbg n ARG 29 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2qbg n THR 30 N 6.03 0.00 0.39 5.15 -2.24 -1.26 -4.75 114.28 117.60 2qbg n THR 30 Ca 0.36 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.17 2qbg n THR 30 Cb 0.17 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.54 2qbg n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbg n GLY 31 N 3.19 1.92 2.31 3.38 0.00 -1.26 -4.83 105.19 109.89 2qbg n GLY 31 Ca 0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 2qbg n GLY 31 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbg n ARG 32 N 0.22 -1.14 -0.22 1.61 0.63 -1.26 -4.31 116.66 112.18 2qbg n ARG 32 Ca 0.10 0.77 0.07 0.00 -0.92 0.00 0.00 57.85 57.87 2qbg n ARG 32 Cb 0.56 -5.05 0.19 0.00 0.45 0.00 0.00 32.46 28.61 2qbg n ARG 32 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qbg n ALA 33 N -1.15 2.23 -2.80 5.13 0.00 -1.26 -4.87 120.51 117.80 2qbg n ALA 33 Ca -0.17 -1.17 -0.32 0.00 0.00 0.00 0.00 53.44 51.78 2qbg n ALA 33 Cb 0.60 -0.55 -0.07 0.00 0.00 0.00 0.00 19.45 19.44 2qbg n ALA 33 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qbg s ASN 34 N -1.00 5.74 0.00 0.00 -0.87 -1.26 -4.65 114.94 112.90 2qbg s ASN 34 Ca 0.29 0.14 0.29 0.00 -1.57 0.00 0.00 52.86 52.01 2qbg s ASN 34 Cb 0.15 -1.65 1.22 0.00 -0.02 0.00 0.00 41.25 40.95 2qbg s ASN 34 CO 0.20 0.25 1.88 -0.81 -2.57 0.00 0.00 177.10 176.05 2qbg n PRO 35 N 0.99 0.23 -0.30 -0.60 -0.04 -1.26 -3.93 135.00 130.09 2qbg n PRO 35 Ca -0.12 -0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.43 2qbg n PRO 35 Cb 0.52 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.79 2qbg n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qbg h ALA 36 N 3.22 1.41 0.00 0.55 0.00 -1.93 1.17 119.26 123.69 2qbg h ALA 36 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2qbg h ALA 36 Cb 0.42 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2qbg h ALA 36 CO 0.00 -0.37 0.03 -0.11 0.00 0.00 0.00 179.25 178.81 2qbg n LEU 37 N -5.07 0.46 -3.20 0.00 7.94 -1.25 -3.19 117.00 112.68 2qbg n LEU 37 Ca 0.22 0.70 -0.24 0.00 -1.11 0.00 0.00 56.01 55.58 2qbg n LEU 37 Cb 0.66 -0.75 -0.06 0.00 0.53 0.00 0.00 43.42 43.80 2qbg n LEU 37 CO 0.12 -0.86 -0.05 0.18 -1.11 0.00 0.00 177.39 175.67 2qbg n LEU 38 N -2.12 2.51 0.00 -1.96 4.77 0.40 -4.77 117.00 115.82 2qbg n LEU 38 Ca -0.01 -5.24 0.00 0.00 -0.03 0.00 0.00 56.01 50.73 2qbg n LEU 38 Cb 0.06 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2qbg n LEU 38 CO 0.08 2.19 0.00 0.00 -1.33 0.00 0.00 177.39 178.32 2qbg n LEU 39 N 0.58 0.00 0.00 2.23 -0.00 -1.19 -4.23 117.00 114.39 2qbg n LEU 39 Ca 0.27 -0.20 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 2qbg n LEU 39 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 2qbg n LEU 39 CO 0.30 0.34 -0.15 1.57 -0.00 0.00 0.00 177.39 179.45 2qbg n HIS 40 N 0.00 0.00 0.00 1.47 -0.00 -1.26 0.09 115.22 115.52 2qbg n HIS 40 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2qbg n HIS 40 Cb 0.33 0.33 0.00 0.00 -0.12 0.00 0.00 29.99 30.54 2qbg n HIS 40 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2qbg n LEU 41 N -2.59 0.00 -3.13 0.27 4.32 -1.26 -2.51 117.00 112.10 2qbg n LEU 41 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 56.01 55.87 2qbg n LEU 41 Cb 0.15 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.92 2qbg n LEU 41 CO 0.00 0.00 1.31 0.29 -1.22 0.00 0.00 177.39 177.77 2qbg n LYS 42 N 0.00 0.35 -1.56 3.23 5.02 -1.26 -3.58 118.16 120.35 2qbg n LYS 42 Ca 0.00 -0.76 -0.39 0.00 -2.02 0.00 0.00 58.31 55.14 2qbg n LYS 42 Cb 0.00 -2.18 -0.03 0.00 -0.02 0.00 0.00 35.03 32.80 2qbg n LYS 42 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qbg n VAL 43 N 5.23 0.06 -1.55 -0.18 0.31 -0.65 -4.53 118.33 117.01 2qbg n VAL 43 Ca 0.15 -0.68 -0.46 0.00 -0.01 0.00 0.00 64.34 63.35 2qbg n VAL 43 Cb 0.10 -2.69 -0.04 0.00 -0.91 0.00 0.00 33.84 30.29 2qbg n VAL 43 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qbg n GLU 44 N 8.91 1.71 -3.99 5.55 0.00 -1.26 -2.63 120.64 128.94 2qbg n GLU 44 Ca 0.35 0.48 -0.32 0.00 0.00 0.00 0.00 57.16 57.67 2qbg n GLU 44 Cb 0.51 -2.97 -0.14 0.00 0.00 0.00 0.00 31.44 28.83 2qbg n GLU 44 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.13 176.66 2qbg s TYR 45 N 7.76 3.52 -0.65 4.31 6.04 0.25 -4.83 117.35 133.74 2qbg s TYR 45 Ca 1.03 -2.58 -0.10 0.00 0.04 0.00 0.00 57.07 55.46 2qbg s TYR 45 Cb -0.52 -2.53 0.01 0.00 -1.04 0.00 0.00 41.96 37.89 2qbg s TYR 45 CO 0.40 -0.91 0.65 0.66 -1.54 0.00 0.00 175.55 174.81 2qbg n TYR 46 N 4.40 -2.76 0.00 4.97 0.53 -1.26 -1.41 117.16 121.63 2qbg n TYR 46 Ca -0.05 1.10 0.00 0.00 -1.02 0.00 0.00 57.90 57.93 2qbg n TYR 46 Cb 0.42 -3.30 0.00 0.00 -1.03 0.00 0.00 39.34 35.43 2qbg n TYR 46 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qbg n GLY 47 N -1.17 0.39 3.18 2.72 0.00 -1.26 -4.86 105.19 104.18 2qbg n GLY 47 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 2qbg n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbg s ALA 48 N -0.94 3.15 -1.04 4.61 0.00 -0.50 -5.00 121.76 122.04 2qbg s ALA 48 Ca 0.00 -2.30 -0.15 0.00 0.00 0.00 0.00 51.96 49.50 2qbg s ALA 48 Cb 0.00 -2.43 -0.08 0.00 0.00 0.00 0.00 23.12 20.61 2qbg s ALA 48 CO 0.00 -1.68 2.13 0.72 0.00 0.00 0.00 175.76 176.93 2qbg n HIS 49 N 4.71 2.17 -2.88 0.00 -0.00 -1.26 0.85 115.22 118.81 2qbg n HIS 49 Ca -0.07 -2.22 -0.34 0.00 -0.00 0.00 0.00 57.72 55.09 2qbg n HIS 49 Cb 0.42 -1.96 -0.07 0.00 -0.00 0.00 0.00 29.99 28.39 2qbg n HIS 49 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2qbg s VAL 50 N 3.97 4.41 0.41 1.59 -7.23 -1.08 -4.47 120.40 118.00 2qbg s VAL 50 Ca 0.52 1.46 -0.07 0.00 -1.81 0.00 0.00 61.98 62.09 2qbg s VAL 50 Cb 0.14 -3.71 0.10 0.00 0.56 0.00 0.00 36.38 33.47 2qbg s VAL 50 CO 0.02 -0.15 0.26 -0.81 -0.31 0.00 0.00 175.10 174.10 2qbg n PRO 51 N -0.22 -2.60 0.00 4.82 -0.04 -1.26 -1.64 135.00 134.06 2qbg n PRO 51 Ca 0.05 -0.43 0.05 0.00 -0.04 0.00 0.00 63.50 63.13 2qbg n PRO 51 Cb 0.53 -0.52 -0.02 0.00 -0.04 0.00 0.00 33.50 33.44 2qbg n PRO 51 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2qbg n LEU 52 N 0.00 1.04 -0.06 1.53 7.94 -1.04 -4.43 117.00 121.98 2qbg n LEU 52 Ca 0.04 -0.68 0.03 0.00 -1.11 0.00 0.00 56.01 54.29 2qbg n LEU 52 Cb 0.17 0.00 0.36 0.00 0.53 0.00 0.00 43.42 44.48 2qbg n LEU 52 CO 0.11 0.22 1.15 -0.55 -1.11 0.00 0.00 177.39 177.21 2qbg h ASN 53 N 0.85 0.58 0.00 1.96 -0.00 -0.54 -2.35 115.58 116.07 2qbg h ASN 53 Ca 0.00 -0.03 -0.05 0.00 -0.00 0.00 0.00 56.30 56.22 2qbg h ASN 53 Cb 0.34 -0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.51 2qbg h ASN 53 CO 0.00 0.44 -1.04 0.00 -0.00 0.00 0.00 177.43 176.83 2qbg n GLN 54 N -4.44 0.45 -0.37 4.14 -0.00 -1.26 -4.55 117.38 111.35 2qbg n GLN 54 Ca 0.04 0.18 0.30 0.00 -0.00 0.00 0.00 57.00 57.53 2qbg n GLN 54 Cb 0.07 -1.29 0.61 0.00 -0.00 0.00 0.00 30.24 29.64 2qbg n GLN 54 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 2qbg h ILE 55 N -0.84 0.36 -3.93 -0.39 6.09 -1.78 -3.43 117.51 113.60 2qbg h ILE 55 Ca -0.08 -0.07 -0.32 0.00 -1.37 0.00 0.00 64.86 63.01 2qbg h ILE 55 Cb 0.93 0.13 -0.08 0.00 0.47 0.00 0.00 36.82 38.27 2qbg h ILE 55 CO -0.05 0.04 -0.31 0.00 -3.07 0.00 0.00 178.15 174.76 2qbg n ALA 56 N -2.56 0.47 -3.55 0.18 0.00 -0.88 -4.38 120.51 109.79 2qbg n ALA 56 Ca 0.30 -1.30 -0.13 0.00 0.00 0.00 0.00 53.44 52.30 2qbg n ALA 56 Cb 1.16 1.04 -0.08 0.00 0.00 0.00 0.00 19.45 21.56 2qbg n ALA 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qbg s THR 57 N -2.87 -0.00 -0.09 0.00 2.01 -1.26 -4.36 115.64 109.08 2qbg s THR 57 Ca 0.25 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.20 2qbg s THR 57 Cb 0.01 -0.87 0.03 0.00 0.01 0.00 0.00 72.50 71.68 2qbg s THR 57 CO 0.18 0.00 0.21 -0.69 -0.69 0.00 0.00 174.62 173.63 2qbg s VAL 58 N 0.51 -0.02 0.40 3.82 1.01 -1.26 0.23 120.40 125.09 2qbg s VAL 58 Ca -0.01 0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.06 2qbg s VAL 58 Cb -0.05 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 36.03 2qbg s VAL 58 CO -0.02 0.03 0.15 1.07 0.00 0.00 0.00 175.10 176.33 2qbg n THR 59 N 3.61 0.00 -3.56 3.92 5.66 -1.16 -4.69 114.28 118.07 2qbg n THR 59 Ca -0.19 -1.72 -0.40 0.00 -3.05 0.00 0.00 64.05 58.68 2qbg n THR 59 Cb 0.56 0.12 -0.06 0.00 -1.55 0.00 0.00 70.33 69.39 2qbg n THR 59 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qbg s ALA 60 N -2.63 4.01 0.10 1.79 0.00 -1.26 -4.16 121.76 119.61 2qbg s ALA 60 Ca 0.11 -3.50 -0.33 0.00 0.00 0.00 0.00 51.96 48.25 2qbg s ALA 60 Cb -0.01 -3.03 -0.14 0.00 0.00 0.00 0.00 23.12 19.95 2qbg s ALA 60 CO 0.07 -2.18 1.52 -1.35 0.00 0.00 0.00 175.76 173.83 2qbg h PRO 61 N 6.91 -0.66 -1.79 0.00 0.11 -1.84 -3.47 132.00 131.27 2qbg h PRO 61 Ca 0.08 0.04 0.25 0.00 0.11 0.00 0.00 66.00 66.49 2qbg h PRO 61 Cb 0.93 0.15 -0.12 0.00 0.11 0.00 0.00 31.00 32.07 2qbg h PRO 61 CO 0.79 -0.44 0.69 0.16 -0.21 0.00 0.00 178.00 178.99 2qbg s ASP 62 N -4.58 -0.13 0.00 -2.05 -4.77 -1.13 -4.99 116.67 99.02 2qbg s ASP 62 Ca -0.15 -0.19 0.00 0.00 -3.30 0.00 0.00 52.55 48.91 2qbg s ASP 62 Cb 0.06 0.28 0.00 0.00 -1.09 0.00 0.00 42.92 42.17 2qbg s ASP 62 CO 0.57 -0.50 0.08 -2.65 0.70 0.00 0.00 175.17 173.37 2qbg n PRO 63 N -0.41 0.00 0.00 2.11 -0.02 -1.26 -2.26 135.00 133.16 2qbg n PRO 63 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2qbg n PRO 63 Cb 0.61 -1.13 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 2qbg n PRO 63 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qbg n ARG 64 N -0.44 0.00 -4.38 -0.52 3.00 -1.26 -4.43 116.66 108.64 2qbg n ARG 64 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.85 57.59 2qbg n ARG 64 Cb 0.00 -0.85 -0.12 0.00 0.00 0.00 0.00 32.46 31.49 2qbg n ARG 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2qbg s THR 65 N -1.74 2.10 -0.02 0.55 2.01 -0.96 0.25 115.64 117.84 2qbg s THR 65 Ca 0.00 -1.92 0.00 0.00 0.31 0.00 0.00 61.69 60.09 2qbg s THR 65 Cb 0.00 -1.96 0.02 0.00 0.01 0.00 0.00 72.50 70.57 2qbg s THR 65 CO 0.00 -0.16 -0.00 -0.22 -0.69 0.00 0.00 174.62 173.55 2qbg s LEU 66 N -2.53 1.28 -0.03 4.42 2.96 -0.90 -2.85 118.68 121.03 2qbg s LEU 66 Ca 0.17 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 2qbg s LEU 66 Cb -0.08 -0.19 -0.02 0.00 0.50 0.00 0.00 46.19 46.40 2qbg s LEU 66 CO 0.08 -0.08 -0.18 0.68 -1.32 0.00 0.00 176.35 175.52 2qbg s VAL 67 N 0.87 2.71 -0.60 1.68 -7.23 -1.25 -3.00 120.40 113.59 2qbg s VAL 67 Ca -0.09 -0.90 -0.11 0.00 -1.81 0.00 0.00 61.98 59.08 2qbg s VAL 67 Cb -0.12 -2.04 0.15 0.00 0.56 0.00 0.00 36.38 34.93 2qbg s VAL 67 CO -0.02 0.56 0.49 -0.69 -0.31 0.00 0.00 175.10 175.14 2qbg s VAL 68 N -0.72 4.68 0.00 1.32 1.01 -1.26 -2.96 120.40 122.47 2qbg s VAL 68 Ca 0.11 -2.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.01 2qbg s VAL 68 Cb -0.10 -4.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 2qbg s VAL 68 CO 0.01 -0.87 1.59 0.00 0.00 0.00 0.00 175.10 175.82 2qbg n GLN 69 N 4.53 0.80 -2.19 2.72 6.02 0.64 -3.00 117.38 126.90 2qbg n GLN 69 Ca -0.01 -0.18 -0.35 0.00 -0.01 0.00 0.00 57.00 56.45 2qbg n GLN 69 Cb 0.42 -1.36 -0.04 0.00 1.02 0.00 0.00 30.24 30.27 2qbg n GLN 69 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2qbg s SER 70 N 2.11 5.52 0.05 1.08 0.15 -1.14 -4.10 113.70 117.38 2qbg s SER 70 Ca 0.12 -0.36 -0.11 0.00 0.70 0.00 0.00 55.95 56.30 2qbg s SER 70 Cb 0.06 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.79 2qbg s SER 70 CO 0.00 -2.31 1.19 -0.50 1.20 0.00 0.00 173.24 172.82 2qbg h TRP 71 N 12.32 -0.62 -2.22 3.44 4.06 -1.83 -3.37 115.95 127.72 2qbg h TRP 71 Ca -0.08 0.04 -0.56 0.00 2.06 0.00 0.00 58.89 60.35 2qbg h TRP 71 Cb 1.07 0.31 0.02 0.00 -1.00 0.00 0.00 29.16 29.56 2qbg h TRP 71 CO 1.15 -0.14 1.25 -3.47 -3.56 0.00 0.00 178.44 173.67 2qbg n ASP 72 N -3.71 3.89 0.09 -3.49 -0.08 -1.26 -4.87 116.55 107.12 2qbg n ASP 72 Ca -0.00 0.81 -0.14 0.00 -1.51 0.00 0.00 54.79 53.95 2qbg n ASP 72 Cb 0.10 -1.50 -0.13 0.00 2.34 0.00 0.00 41.12 41.93 2qbg n ASP 72 CO 0.00 0.00 0.00 0.06 0.12 0.00 0.00 177.20 177.38 2qbg h GLN 73 N 11.05 0.20 -1.01 -0.67 -0.00 -1.95 -3.13 115.11 119.60 2qbg h GLN 73 Ca -0.48 -0.34 0.24 0.00 -0.00 0.00 0.00 58.65 58.06 2qbg h GLN 73 Cb 1.25 0.13 -0.10 0.00 -0.00 0.00 0.00 27.48 28.76 2qbg h GLN 73 CO 0.95 1.16 0.63 -0.91 -0.00 0.00 0.00 178.83 180.66 2qbg h ASN 74 N 0.05 0.56 0.47 0.06 -0.26 -1.94 0.14 115.58 114.66 2qbg h ASN 74 Ca -0.10 0.09 -0.30 0.00 -0.56 0.00 0.00 56.30 55.42 2qbg h ASN 74 Cb 1.92 -0.00 0.01 0.00 -1.06 0.00 0.00 38.32 39.19 2qbg h ASN 74 CO 0.18 0.14 -1.41 0.00 -1.06 0.00 0.00 177.43 175.29 2qbg h ALA 75 N 1.64 0.09 0.00 -0.83 0.00 -1.94 -3.26 119.26 114.96 2qbg h ALA 75 Ca 0.58 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2qbg h ALA 75 Cb 1.28 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2qbg h ALA 75 CO -0.33 0.96 0.52 1.28 0.00 0.00 0.00 179.25 181.68 2qbg n LEU 76 N -3.56 0.17 0.00 0.00 4.77 0.47 -0.35 117.00 118.50 2qbg n LEU 76 Ca -0.14 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2qbg n LEU 76 Cb 1.05 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.89 2qbg n LEU 76 CO 0.54 -0.46 0.01 0.29 -1.33 0.00 0.00 177.39 176.45 2qbg n LYS 77 N -1.89 0.00 -0.04 3.23 4.76 -1.15 -3.79 118.16 119.27 2qbg n LYS 77 Ca -0.00 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.58 2qbg n LYS 77 Cb 0.53 -0.35 0.57 0.00 -1.84 0.00 0.00 35.03 33.94 2qbg n LYS 77 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qbg h ALA 78 N -2.00 2.18 -0.37 7.82 0.00 -1.68 -2.08 119.26 123.13 2qbg h ALA 78 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2qbg h ALA 78 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 17.67 2qbg h ALA 78 CO 0.00 -0.32 -0.22 0.82 0.00 0.00 0.00 179.25 179.53 2qbg h ILE 79 N 0.25 0.39 -0.47 0.00 2.04 -0.89 1.13 117.51 119.96 2qbg h ILE 79 Ca 0.26 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.10 2qbg h ILE 79 Cb 0.68 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2qbg h ILE 79 CO -0.05 0.00 0.22 -0.08 0.00 0.00 0.00 178.15 178.24 2qbg h GLU 80 N -0.17 0.65 0.00 2.37 4.81 -1.48 0.17 114.58 120.93 2qbg h GLU 80 Ca 0.18 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 2qbg h GLU 80 Cb 0.45 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2qbg h GLU 80 CO -0.47 0.51 -0.08 0.87 -0.73 0.00 0.00 179.01 179.11 2qbg h LYS 81 N 0.65 0.00 -0.66 1.92 1.57 -0.20 -2.09 116.57 117.77 2qbg h LYS 81 Ca 0.17 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2qbg h LYS 81 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2qbg h LYS 81 CO -0.02 0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.94 2qbg n ALA 82 N -2.14 2.75 0.07 3.86 0.00 0.35 -4.37 120.51 121.03 2qbg n ALA 82 Ca 0.00 -1.32 -0.07 0.00 0.00 0.00 0.00 53.44 52.06 2qbg n ALA 82 Cb 0.35 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.76 2qbg n ALA 82 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbg h ILE 83 N 3.84 0.30 0.00 0.00 1.08 -0.66 -3.42 117.51 118.64 2qbg h ILE 83 Ca 0.00 -0.95 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 2qbg h ILE 83 Cb 1.15 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 35.42 2qbg h ILE 83 CO 0.12 0.09 0.00 0.54 -0.69 0.00 0.00 178.15 178.20 2qbg n ARG 84 N -4.95 0.00 -1.70 2.37 3.00 -1.26 -4.67 116.66 109.45 2qbg n ARG 84 Ca -0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 57.75 2qbg n ARG 84 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.62 2qbg n ARG 84 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2qbg n ASP 85 N 0.00 -1.47 -3.71 0.55 9.92 -1.26 -4.77 116.55 115.82 2qbg n ASP 85 Ca 0.00 0.23 -0.03 0.00 -0.53 0.00 0.00 54.79 54.46 2qbg n ASP 85 Cb 0.00 -1.54 -0.01 0.00 -0.64 0.00 0.00 41.12 38.93 2qbg n ASP 85 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2qbg s SER 86 N -1.63 -0.15 0.00 -2.24 0.15 -1.26 -4.99 113.70 103.57 2qbg s SER 86 Ca 0.00 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.23 2qbg s SER 86 Cb 0.00 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 2qbg s SER 86 CO 0.00 -0.89 0.26 -0.90 1.20 0.00 0.00 173.24 172.91 2qbg n ASP 87 N -0.55 0.11 0.00 5.45 3.85 -1.26 -4.28 116.55 119.87 2qbg n ASP 87 Ca -0.06 -0.63 0.00 0.00 -0.71 0.00 0.00 54.79 53.39 2qbg n ASP 87 Cb 0.61 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.32 2qbg n ASP 87 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2qbg n LEU 88 N -0.21 0.00 0.00 -2.12 4.32 -1.26 -5.02 117.00 112.71 2qbg n LEU 88 Ca 0.00 0.08 0.00 0.00 -0.02 0.00 0.00 56.01 56.07 2qbg n LEU 88 Cb 0.03 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.83 2qbg n LEU 88 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 2qbg n GLY 89 N -0.11 0.75 3.16 -0.72 0.00 -1.26 -5.16 105.19 101.85 2qbg n GLY 89 Ca 0.00 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 2qbg n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbg s LEU 90 N 0.00 1.22 -0.47 0.99 1.02 -1.26 -4.89 118.68 115.29 2qbg s LEU 90 Ca 0.00 -0.01 -0.15 0.00 0.02 0.00 0.00 54.13 53.99 2qbg s LEU 90 Cb 0.00 0.93 0.08 0.00 0.02 0.00 0.00 46.19 47.21 2qbg s LEU 90 CO 0.00 -0.37 0.38 0.21 0.02 0.00 0.00 176.35 176.60 2qbg s ASN 91 N -1.18 6.09 1.22 2.29 2.47 -1.26 -4.90 114.94 119.68 2qbg s ASN 91 Ca -0.12 -1.36 -0.15 0.00 0.42 0.00 0.00 52.86 51.64 2qbg s ASN 91 Cb -0.06 -2.16 0.30 0.00 -1.45 0.00 0.00 41.25 37.88 2qbg s ASN 91 CO 0.02 -0.64 1.01 -2.84 -3.72 0.00 0.00 177.10 170.94 2qbg s PRO 92 N 1.62 -1.34 -0.28 0.43 0.02 -1.26 -4.31 135.00 129.87 2qbg s PRO 92 Ca 0.04 0.55 -0.15 0.00 0.02 0.00 0.00 61.00 61.46 2qbg s PRO 92 Cb -0.24 -1.53 0.09 0.00 0.02 0.00 0.00 34.50 32.84 2qbg s PRO 92 CO 0.06 -3.93 0.71 -1.54 -0.33 0.00 0.00 177.00 171.97 2qbg s SER 93 N -2.85 -0.94 -0.11 2.53 1.04 -1.26 -4.92 113.70 107.18 2qbg s SER 93 Ca 0.68 1.47 -0.15 0.00 0.48 0.00 0.00 55.95 58.44 2qbg s SER 93 Cb -0.21 1.51 -0.05 0.00 0.10 0.00 0.00 66.02 67.37 2qbg s SER 93 CO 0.62 -0.23 0.35 0.20 0.98 0.00 0.00 173.24 175.16 2qbg s ASN 94 N 1.80 6.57 0.00 7.02 -0.87 -1.26 -3.21 114.94 125.00 2qbg s ASN 94 Ca -0.09 0.68 0.00 0.00 -1.57 0.00 0.00 52.86 51.88 2qbg s ASN 94 Cb -0.06 -2.21 0.00 0.00 -0.02 0.00 0.00 41.25 38.96 2qbg s ASN 94 CO -0.19 0.15 0.00 1.17 -2.57 0.00 0.00 177.10 175.65 2qbg n LYS 95 N 3.10 0.00 0.00 -0.60 3.00 -1.23 -4.98 118.16 117.45 2qbg n LYS 95 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 2qbg n LYS 95 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.55 2qbg n LYS 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qbg n GLY 96 N 0.00 0.18 0.28 3.14 0.00 -1.26 -3.44 105.19 104.08 2qbg n GLY 96 Ca 0.00 -0.94 0.14 0.00 0.00 0.00 0.00 46.02 45.22 2qbg n GLY 96 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2qbg h ASP 97 N 2.76 0.00 -4.13 1.61 1.82 -1.88 -3.44 116.42 113.16 2qbg h ASP 97 Ca 0.00 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.37 2qbg h ASP 97 Cb 0.00 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 39.97 2qbg h ASP 97 CO 0.00 0.08 -0.17 0.00 -1.61 0.00 0.00 179.24 177.53 2qbg n ALA 98 N -2.27 0.26 -2.34 -0.78 0.00 -1.16 -2.87 120.51 111.34 2qbg n ALA 98 Ca -0.02 -0.97 -0.17 0.00 0.00 0.00 0.00 53.44 52.28 2qbg n ALA 98 Cb 0.19 0.48 -0.10 0.00 0.00 0.00 0.00 19.45 20.01 2qbg n ALA 98 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2qbg s LEU 99 N 0.00 2.26 -0.37 0.00 1.43 -1.26 -3.52 118.68 117.23 2qbg s LEU 99 Ca 0.05 -1.20 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 2qbg s LEU 99 Cb -0.00 -0.33 0.11 0.00 0.03 0.00 0.00 46.19 46.00 2qbg s LEU 99 CO 0.03 -0.47 0.15 -0.31 0.23 0.00 0.00 176.35 175.98 2qbg s TYR 100 N -3.35 2.14 -0.13 0.29 4.12 -1.20 -3.80 117.35 115.42 2qbg s TYR 100 Ca 0.27 -2.21 -0.01 0.00 0.02 0.00 0.00 57.07 55.14 2qbg s TYR 100 Cb 0.05 -1.98 -0.02 0.00 -1.52 0.00 0.00 41.96 38.49 2qbg s TYR 100 CO 0.08 -0.85 -0.11 0.42 0.02 0.00 0.00 175.55 175.12 2qbg s ILE 101 N 0.99 3.26 0.44 2.71 1.01 -1.16 -4.08 121.20 124.37 2qbg s ILE 101 Ca 0.13 -0.59 -0.19 0.00 0.00 0.00 0.00 60.65 60.00 2qbg s ILE 101 Cb -0.20 -2.38 -0.10 0.00 0.01 0.00 0.00 42.46 39.78 2qbg s ILE 101 CO -0.12 0.52 0.93 0.21 0.00 0.00 0.00 174.94 176.48 2qbg s ASN 102 N 0.29 6.85 -0.25 3.58 3.84 -1.24 -2.11 114.94 125.90 2qbg s ASN 102 Ca -0.08 1.62 -0.04 0.00 0.21 0.00 0.00 52.86 54.56 2qbg s ASN 102 Cb -0.15 -2.51 0.00 0.00 -0.55 0.00 0.00 41.25 38.04 2qbg s ASN 102 CO 0.05 -0.40 -0.01 -0.63 -2.79 0.00 0.00 177.10 173.32 2qbg s ILE 103 N -2.26 3.47 -0.41 -5.21 1.09 0.14 -4.66 121.20 113.35 2qbg s ILE 103 Ca 0.60 -0.63 -0.28 0.00 -1.10 0.00 0.00 60.65 59.24 2qbg s ILE 103 Cb -0.09 -2.67 -0.01 0.00 -1.06 0.00 0.00 42.46 38.63 2qbg s ILE 103 CO 0.18 0.29 1.67 -2.16 -0.10 0.00 0.00 174.94 174.81 2qbg s PRO 104 N 1.46 3.30 0.08 2.79 0.04 -1.26 -4.70 135.00 136.70 2qbg s PRO 104 Ca 0.04 1.09 -0.26 0.00 0.04 0.00 0.00 61.00 61.91 2qbg s PRO 104 Cb -0.15 -4.17 -0.14 0.00 0.04 0.00 0.00 34.50 30.07 2qbg s PRO 104 CO -0.02 -1.91 0.60 -0.35 0.04 0.00 0.00 177.00 175.36 2qbg n PRO 105 N 8.46 0.00 -1.73 0.56 -0.04 -1.26 -4.71 135.00 136.28 2qbg n PRO 105 Ca 0.20 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.28 2qbg n PRO 105 Cb 0.48 -0.95 -0.03 0.00 -0.04 0.00 0.00 33.50 32.97 2qbg n PRO 105 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2qbg s LEU 106 N 1.15 3.39 0.53 1.53 2.34 -1.26 -4.95 118.68 121.41 2qbg s LEU 106 Ca 0.59 1.01 -0.21 0.00 0.06 0.00 0.00 54.13 55.57 2qbg s LEU 106 Cb -0.83 -2.73 -0.07 0.00 -0.56 0.00 0.00 46.19 42.00 2qbg s LEU 106 CO 0.43 -2.53 1.06 0.35 -1.06 0.00 0.00 176.35 174.60 2qbg n THR 107 N 7.70 3.30 -0.29 5.48 -2.24 -1.26 -4.65 114.28 122.32 2qbg n THR 107 Ca 0.30 -0.50 0.08 0.00 -2.27 0.00 0.00 64.05 61.66 2qbg n THR 107 Cb 0.52 -1.26 0.30 0.00 -2.10 0.00 0.00 70.33 67.79 2qbg n THR 107 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2qbg h GLU 108 N 1.03 0.85 -0.06 -0.78 4.22 -1.98 0.30 114.58 118.15 2qbg h GLU 108 Ca -0.48 -0.05 -0.04 0.00 0.08 0.00 0.00 59.36 58.87 2qbg h GLU 108 Cb 1.34 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2qbg h GLU 108 CO 0.54 0.56 -0.16 1.49 -2.18 0.00 0.00 179.01 179.26 2qbg h GLU 109 N 0.87 0.10 0.02 1.92 4.81 -1.98 0.60 114.58 120.92 2qbg h GLU 109 Ca 0.43 -0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.42 2qbg h GLU 109 Cb 0.46 -0.01 0.02 0.00 0.63 0.00 0.00 28.75 29.85 2qbg h GLU 109 CO -0.19 0.26 -0.86 0.00 -0.73 0.00 0.00 179.01 177.49 2qbg h ARG 110 N 0.09 0.54 -0.64 1.92 2.47 -0.88 0.23 114.38 118.12 2qbg h ARG 110 Ca 0.02 -0.61 -0.06 0.00 -1.26 0.00 0.00 59.98 58.07 2qbg h ARG 110 Cb 0.34 0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.82 2qbg h ARG 110 CO 0.02 1.23 0.18 0.00 0.56 0.00 0.00 179.97 181.96 2qbg h ARG 111 N 0.12 0.99 0.00 0.04 3.08 -0.20 -0.78 114.38 117.63 2qbg h ARG 111 Ca -0.11 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.73 2qbg h ARG 111 Cb 1.55 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.45 2qbg h ARG 111 CO 0.17 0.86 0.00 1.63 -1.07 0.00 0.00 179.97 181.56 2qbg n LYS 112 N -4.26 0.00 -0.54 0.04 5.02 0.20 -1.55 118.16 117.07 2qbg n LYS 112 Ca 0.05 0.56 0.45 0.00 -2.02 0.00 0.00 58.31 57.35 2qbg n LYS 112 Cb 0.23 -1.46 0.75 0.00 -0.02 0.00 0.00 35.03 34.53 2qbg n LYS 112 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2qbg h ASP 113 N 0.00 0.00 0.14 4.39 3.32 -0.77 -0.74 116.42 122.76 2qbg h ASP 113 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2qbg h ASP 113 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qbg h ASP 113 CO 0.00 0.00 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.38 2qbg h LEU 114 N 0.00 -0.15 -0.26 1.55 4.07 -0.41 -2.08 115.31 118.03 2qbg h LEU 114 Ca 0.78 -0.40 -0.00 0.00 0.08 0.00 0.00 57.88 58.34 2qbg h LEU 114 Cb 3.27 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 45.04 2qbg h LEU 114 CO -0.01 0.42 0.14 -0.37 -1.08 0.00 0.00 178.44 177.55 2qbg h VAL 115 N -0.85 1.12 -0.62 1.22 -1.51 -0.11 -1.69 116.25 113.81 2qbg h VAL 115 Ca -0.02 -0.31 0.08 0.00 -1.23 0.00 0.00 66.70 65.23 2qbg h VAL 115 Cb 0.54 0.86 -0.04 0.00 -2.13 0.00 0.00 31.29 30.52 2qbg h VAL 115 CO 0.03 0.12 0.41 0.08 -1.23 0.00 0.00 177.57 176.98 2qbg h ARG 116 N 0.30 0.49 -0.31 5.19 0.11 -1.50 -0.74 114.38 117.92 2qbg h ARG 116 Ca 0.09 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.12 2qbg h ARG 116 Cb 0.06 -0.11 -0.01 0.00 1.11 0.00 0.00 29.97 31.02 2qbg h ARG 116 CO -0.01 0.32 0.11 0.00 0.10 0.00 0.00 179.97 180.49 2qbg h ALA 117 N 1.68 0.40 -0.93 0.08 0.00 -0.59 -2.32 119.26 117.58 2qbg h ALA 117 Ca 0.28 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2qbg h ALA 117 Cb 0.44 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2qbg h ALA 117 CO -0.08 0.01 0.60 0.28 0.00 0.00 0.00 179.25 180.06 2qbg h VAL 118 N 0.35 1.24 -0.65 0.00 2.07 -0.43 -2.17 116.25 116.65 2qbg h VAL 118 Ca 0.10 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 2qbg h VAL 118 Cb 0.20 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 2qbg h VAL 118 CO -0.01 0.24 0.14 0.03 0.02 0.00 0.00 177.57 177.99 2qbg h ARG 119 N 1.27 1.05 -0.15 1.57 -0.00 -1.12 0.17 114.38 117.16 2qbg h ARG 119 Ca 0.34 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.98 59.56 2qbg h ARG 119 Cb -0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 29.70 2qbg h ARG 119 CO -0.07 0.95 0.08 0.37 0.00 0.00 0.00 179.97 181.30 2qbg h GLN 120 N 0.99 0.21 -0.48 0.04 5.75 -1.01 -0.01 115.11 120.61 2qbg h GLN 120 Ca 0.20 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.64 2qbg h GLN 120 Cb 0.38 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.87 2qbg h GLN 120 CO 0.01 0.23 0.15 1.88 -2.65 0.00 0.00 178.83 178.44 2qbg h TYR 121 N 0.14 0.72 -0.03 3.99 0.05 -1.19 -1.79 116.97 118.86 2qbg h TYR 121 Ca 0.05 -0.05 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 2qbg h TYR 121 Cb 0.08 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 37.60 2qbg h TYR 121 CO -0.04 0.59 0.01 0.00 -1.05 0.00 0.00 178.16 177.67 2qbg h ALA 122 N 1.47 0.04 -0.45 3.88 0.00 -0.39 -2.43 119.26 121.37 2qbg h ALA 122 Ca 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qbg h ALA 122 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2qbg h ALA 122 CO -0.01 -0.37 0.27 1.49 0.00 0.00 0.00 179.25 180.63 2qbg h GLU 123 N -0.14 0.62 -0.99 0.00 4.57 -0.78 -0.80 114.58 117.06 2qbg h GLU 123 Ca 0.01 -0.06 0.21 0.00 -1.18 0.00 0.00 59.36 58.33 2qbg h GLU 123 Cb 0.19 -0.13 -0.11 0.00 -0.16 0.00 0.00 28.75 28.54 2qbg h GLU 123 CO -0.00 0.47 0.59 0.93 -1.18 0.00 0.00 179.01 179.81 2qbg h GLU 124 N 0.60 0.66 -0.14 1.92 5.08 -1.25 0.14 114.58 121.60 2qbg h GLU 124 Ca 0.16 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2qbg h GLU 124 Cb 0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2qbg h GLU 124 CO -0.03 0.44 0.05 0.78 -1.00 0.00 0.00 179.01 179.25 2qbg h GLY 125 N 0.68 0.22 0.48 -3.84 0.00 -0.69 -1.95 103.07 97.98 2qbg h GLY 125 Ca 0.59 -0.12 0.06 0.00 0.00 0.00 0.00 47.33 47.86 2qbg h GLY 125 CO -0.42 0.12 0.04 3.21 0.00 0.00 0.00 176.54 179.49 2qbg h ARG 126 N 0.05 0.15 -0.42 4.80 3.08 0.39 -0.62 114.38 121.82 2qbg h ARG 126 Ca 0.04 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.15 2qbg h ARG 126 Cb 0.19 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.15 2qbg h ARG 126 CO -0.00 0.10 0.08 0.28 -1.07 0.00 0.00 179.97 179.36 2qbg h VAL 127 N 0.16 0.77 0.07 2.04 2.07 -0.90 -0.32 116.25 120.14 2qbg h VAL 127 Ca 0.18 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.65 2qbg h VAL 127 Cb 0.23 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 2qbg h VAL 127 CO -0.27 0.04 -0.17 0.00 0.02 0.00 0.00 177.57 177.19 2qbg h ALA 128 N 1.32 -0.27 -0.53 1.67 0.00 -0.54 -0.83 119.26 120.10 2qbg h ALA 128 Ca 0.20 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.17 2qbg h ALA 128 Cb 0.25 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 2qbg h ALA 128 CO -0.27 -0.69 0.20 0.82 0.00 0.00 0.00 179.25 179.31 2qbg h ILE 129 N -0.32 0.84 -0.29 0.00 2.04 -0.64 -1.76 117.51 117.38 2qbg h ILE 129 Ca 0.03 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2qbg h ILE 129 Cb 0.35 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2qbg h ILE 129 CO -0.12 0.07 0.18 0.03 0.00 0.00 0.00 178.15 178.32 2qbg h ARG 130 N 0.40 0.39 -0.96 2.37 3.08 -0.78 -1.72 114.38 117.15 2qbg h ARG 130 Ca 0.25 -0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.41 2qbg h ARG 130 Cb 0.26 -0.08 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 2qbg h ARG 130 CO -0.24 0.28 0.58 -0.97 -1.07 0.00 0.00 179.97 178.55 2qbg h ASN 131 N 0.38 0.82 -0.90 7.04 -0.73 -0.66 0.45 115.58 121.97 2qbg h ASN 131 Ca 0.10 0.06 0.05 0.00 1.87 0.00 0.00 56.30 58.38 2qbg h ASN 131 Cb -0.02 -0.09 -0.05 0.00 0.27 0.00 0.00 38.32 38.43 2qbg h ASN 131 CO -0.02 0.40 0.59 0.40 -0.37 0.00 0.00 177.43 178.43 2qbg h ILE 132 N 0.88 1.12 -0.06 2.57 2.04 -0.46 -0.14 117.51 123.46 2qbg h ILE 132 Ca 0.50 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 2qbg h ILE 132 Cb 0.57 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2qbg h ILE 132 CO -0.30 0.20 0.03 -0.09 0.00 0.00 0.00 178.15 177.99 2qbg h ARG 133 N 1.09 0.09 -0.32 2.37 2.43 0.44 0.25 114.38 120.71 2qbg h ARG 133 Ca 0.37 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.60 2qbg h ARG 133 Cb 0.09 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.54 2qbg h ARG 133 CO -0.12 0.18 -0.28 -0.09 -1.51 0.00 0.00 179.97 178.14 2qbg h ARG 134 N -0.03 -0.24 -0.35 0.20 2.43 0.10 0.40 114.38 116.90 2qbg h ARG 134 Ca 0.02 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.24 2qbg h ARG 134 Cb 0.12 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 2qbg h ARG 134 CO -0.00 -0.16 0.16 0.93 -1.51 0.00 0.00 179.97 179.39 2qbg h GLU 135 N -0.25 0.33 0.60 0.20 5.08 -0.82 -1.34 114.58 118.38 2qbg h GLU 135 Ca 0.16 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 2qbg h GLU 135 Cb 0.51 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2qbg h GLU 135 CO -0.47 0.22 -0.50 0.00 -1.00 0.00 0.00 179.01 177.26 2qbg h ALA 136 N 1.19 -1.19 -0.35 3.43 0.00 0.84 -0.65 119.26 122.53 2qbg h ALA 136 Ca 0.15 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 54.92 2qbg h ALA 136 Cb 0.07 0.69 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 2qbg h ALA 136 CO -0.11 -1.20 -0.24 -0.07 0.00 0.00 0.00 179.25 177.62 2qbg h LEU 137 N -1.08 -0.81 -0.45 0.00 4.07 -0.13 0.41 115.31 117.31 2qbg h LEU 137 Ca -0.08 0.16 0.09 0.00 0.08 0.00 0.00 57.88 58.13 2qbg h LEU 137 Cb 0.91 0.40 -0.08 0.00 1.08 0.00 0.00 40.66 42.97 2qbg h LEU 137 CO -0.01 -0.27 -0.10 0.44 -1.08 0.00 0.00 178.44 177.43 2qbg h ASP 138 N -0.20 -0.39 -0.94 -0.43 5.19 -1.11 0.25 116.42 118.79 2qbg h ASP 138 Ca 0.17 0.13 0.18 0.00 -0.62 0.00 0.00 57.03 56.90 2qbg h ASP 138 Cb 0.47 0.27 -0.11 0.00 0.18 0.00 0.00 39.33 40.14 2qbg h ASP 138 CO -0.46 -0.14 0.52 0.11 -3.12 0.00 0.00 179.24 176.15 2qbg h LYS 139 N 0.02 0.64 -0.73 3.56 1.57 0.58 0.20 116.57 122.41 2qbg h LYS 139 Ca 0.22 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.92 2qbg h LYS 139 Cb 0.34 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 2qbg h LYS 139 CO -0.45 0.42 0.29 1.25 -0.57 0.00 0.00 179.45 180.39 2qbg h LEU 140 N 0.66 0.99 -0.02 2.94 5.85 0.14 -1.55 115.31 124.32 2qbg h LEU 140 Ca 0.54 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 59.15 2qbg h LEU 140 Cb 0.86 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 2qbg h LEU 140 CO -0.40 0.89 -0.23 0.11 -0.34 0.00 0.00 178.44 178.46 2qbg h LYS 141 N 1.06 -0.35 -0.79 1.25 1.57 0.62 0.20 116.57 120.13 2qbg h LYS 141 Ca 0.24 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 59.12 2qbg h LYS 141 Cb 0.21 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.53 2qbg h LYS 141 CO -0.02 -0.23 0.46 0.87 -0.57 0.00 0.00 179.45 179.96 2qbg h LYS 142 N -0.36 0.80 0.85 3.15 1.79 -1.10 -2.62 116.57 119.08 2qbg h LYS 142 Ca 0.07 -0.05 -0.04 0.00 -2.18 0.00 0.00 60.65 58.45 2qbg h LYS 142 Cb 0.45 -0.18 0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2qbg h LYS 142 CO -0.22 0.53 -0.41 -0.07 -1.08 0.00 0.00 179.45 178.20 2qbg h LEU 143 N 0.83 -0.96 -1.82 2.94 4.07 -0.31 -2.10 115.31 117.96 2qbg h LEU 143 Ca 0.35 0.03 0.35 0.00 0.08 0.00 0.00 57.88 58.70 2qbg h LEU 143 Cb 0.22 0.25 -0.05 0.00 1.08 0.00 0.00 40.66 42.17 2qbg h LEU 143 CO -0.19 -0.63 0.98 0.00 -1.08 0.00 0.00 178.44 177.52 2qbg h ALA 144 N -1.35 3.10 0.22 1.53 0.00 -0.56 0.53 119.26 122.73 2qbg h ALA 144 Ca -0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2qbg h ALA 144 Cb 0.87 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2qbg h ALA 144 CO 0.19 -1.60 -0.11 0.87 0.00 0.00 0.00 179.25 178.60 2qbg h LYS 145 N 0.00 -0.29 0.00 0.00 1.57 -1.08 -1.93 116.57 114.84 2qbg h LYS 145 Ca 0.57 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.37 2qbg h LYS 145 Cb 2.53 0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.90 2qbg h LYS 145 CO -0.01 0.07 0.00 1.05 -0.57 0.00 0.00 179.45 179.99 2qbg h GLU 146 N -0.93 0.00 -0.12 3.15 4.11 0.04 -2.76 114.58 118.07 2qbg h GLU 146 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2qbg h GLU 146 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2qbg h GLU 146 CO 0.05 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.41 2qbg n LEU 147 N -3.08 2.83 -1.61 3.06 4.77 0.15 -4.94 117.00 118.18 2qbg n LEU 147 Ca 0.00 -1.03 -0.17 0.00 -0.03 0.00 0.00 56.01 54.78 2qbg n LEU 147 Cb 0.29 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 2qbg n LEU 147 CO 0.27 0.52 -0.17 1.41 -1.33 0.00 0.00 177.39 178.08 2qbg n HIS 148 N 1.17 -0.33 -0.89 -1.77 8.25 -0.98 -4.90 115.22 115.77 2qbg n HIS 148 Ca 0.16 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.28 2qbg n HIS 148 Cb 0.55 -3.07 0.09 0.00 1.12 0.00 0.00 29.99 28.69 2qbg n HIS 148 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qbg n LEU 149 N -2.23 -2.18 -4.91 2.41 4.77 -0.76 -4.97 117.00 109.13 2qbg n LEU 149 Ca -0.17 0.29 -0.31 0.00 -0.03 0.00 0.00 56.01 55.79 2qbg n LEU 149 Cb 0.57 -1.05 -0.04 0.00 -2.33 0.00 0.00 43.42 40.56 2qbg n LEU 149 CO 0.25 -4.44 -0.06 -0.94 -1.33 0.00 0.00 177.39 170.87 2qbg s SER 150 N -1.65 6.42 0.27 -1.43 1.04 -1.26 -4.88 113.70 112.21 2qbg s SER 150 Ca 0.51 0.41 -0.08 0.00 0.48 0.00 0.00 55.95 57.28 2qbg s SER 150 Cb -0.21 -2.02 0.44 0.00 0.10 0.00 0.00 66.02 64.33 2qbg s SER 150 CO 0.72 0.10 1.48 1.21 0.98 0.00 0.00 173.24 177.74 2qbg n GLU 151 N 0.12 -0.09 0.05 4.02 2.13 -1.26 0.33 120.64 125.94 2qbg n GLU 151 Ca -0.04 1.48 -0.12 0.00 0.66 0.00 0.00 57.16 59.15 2qbg n GLU 151 Cb 0.52 -2.22 -0.07 0.00 0.27 0.00 0.00 31.44 29.94 2qbg n GLU 151 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2qbg h ASP 152 N 0.00 -0.07 0.19 4.31 3.32 -1.99 -1.00 116.42 121.19 2qbg h ASP 152 Ca 0.46 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.53 2qbg h ASP 152 Cb 0.69 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.23 2qbg h ASP 152 CO -0.98 -0.04 -0.37 -0.33 -1.72 0.00 0.00 179.24 175.80 2qbg h GLU 153 N -0.06 -0.62 -0.73 3.56 5.08 -0.50 -1.11 114.58 120.20 2qbg h GLU 153 Ca 0.01 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.53 2qbg h GLU 153 Cb 0.06 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 2qbg h GLU 153 CO -0.01 -0.42 0.48 1.79 -1.00 0.00 0.00 179.01 179.85 2qbg h THR 154 N -0.65 0.85 0.38 1.13 1.35 -0.83 -0.70 112.91 114.44 2qbg h THR 154 Ca 0.01 -0.17 -0.02 0.00 -0.55 0.00 0.00 66.41 65.69 2qbg h THR 154 Cb 0.65 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.39 2qbg h THR 154 CO -0.17 0.09 -0.18 0.11 -0.25 0.00 0.00 175.52 175.12 2qbg h LYS 155 N 0.48 -0.49 -0.94 4.72 1.79 -0.34 -2.11 116.57 119.68 2qbg h LYS 155 Ca 0.35 0.03 0.16 0.00 -2.18 0.00 0.00 60.65 59.01 2qbg h LYS 155 Cb 0.69 0.11 -0.08 0.00 -1.58 0.00 0.00 32.23 31.37 2qbg h LYS 155 CO -0.12 -0.20 0.60 -0.09 -1.08 0.00 0.00 179.45 178.56 2qbg h ARG 156 N -0.75 0.72 0.36 3.15 9.65 -0.61 -0.77 114.38 126.13 2qbg h ARG 156 Ca -0.05 -0.04 -0.00 0.00 -1.10 0.00 0.00 59.98 58.78 2qbg h ARG 156 Cb 0.51 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 2qbg h ARG 156 CO 0.09 0.47 -0.47 0.00 2.80 0.00 0.00 179.97 182.86 2qbg h ALA 157 N 1.60 -0.99 -0.89 2.80 0.00 -0.86 0.82 119.26 121.74 2qbg h ALA 157 Ca 0.49 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.45 2qbg h ALA 157 Cb 0.77 0.71 -0.11 0.00 0.00 0.00 0.00 17.79 19.16 2qbg h ALA 157 CO -0.25 -1.10 0.43 0.93 0.00 0.00 0.00 179.25 179.25 2qbg h GLU 158 N -0.87 0.49 -0.26 0.00 5.08 -0.51 0.89 114.58 119.40 2qbg h GLU 158 Ca -0.03 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 2qbg h GLU 158 Cb 0.79 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 2qbg h GLU 158 CO -0.12 0.33 0.10 0.00 -1.00 0.00 0.00 179.01 178.31 2qbg h ALA 159 N 1.65 0.30 0.19 3.43 0.00 -0.04 -1.31 119.26 123.48 2qbg h ALA 159 Ca 0.53 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.47 2qbg h ALA 159 Cb 0.92 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2qbg h ALA 159 CO -0.46 -0.31 -0.20 1.49 0.00 0.00 0.00 179.25 179.77 2qbg h GLU 160 N 0.22 -0.41 -0.88 0.00 4.57 0.15 -0.57 114.58 117.66 2qbg h GLU 160 Ca 0.11 0.03 0.20 0.00 -1.18 0.00 0.00 59.36 58.52 2qbg h GLU 160 Cb 0.07 0.09 -0.11 0.00 -0.16 0.00 0.00 28.75 28.64 2qbg h GLU 160 CO -0.11 -0.27 0.41 0.82 -1.18 0.00 0.00 179.01 178.67 2qbg h ILE 161 N -0.43 0.56 0.36 2.32 1.08 -0.94 0.14 117.51 120.60 2qbg h ILE 161 Ca 0.00 -0.16 -0.02 0.00 -0.39 0.00 0.00 64.86 64.29 2qbg h ILE 161 Cb 0.41 0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.21 2qbg h ILE 161 CO -0.06 0.09 -0.17 -0.61 -0.69 0.00 0.00 178.15 176.70 2qbg h GLN 162 N 0.47 -0.47 -0.85 2.37 5.75 -0.56 -1.03 115.11 120.79 2qbg h GLN 162 Ca 0.53 0.03 0.17 0.00 -0.15 0.00 0.00 58.65 59.23 2qbg h GLN 162 Cb 0.93 0.11 -0.10 0.00 1.07 0.00 0.00 27.48 29.48 2qbg h GLN 162 CO -0.47 -0.22 0.41 -0.22 -2.65 0.00 0.00 178.83 175.67 2qbg h LYS 163 N -0.66 0.51 -0.61 1.69 3.64 0.02 0.19 116.57 121.36 2qbg h LYS 163 Ca -0.05 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2qbg h LYS 163 Cb 0.47 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2qbg h LYS 163 CO 0.08 0.34 0.29 0.82 -2.27 0.00 0.00 179.45 178.71 2qbg h ILE 164 N 0.53 1.22 0.37 2.00 2.04 -0.80 -2.03 117.51 120.84 2qbg h ILE 164 Ca 0.49 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2qbg h ILE 164 Cb 0.78 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2qbg h ILE 164 CO -0.42 0.25 -0.19 0.74 0.00 0.00 0.00 178.15 178.53 2qbg h THR 165 N 0.84 0.62 -0.91 -0.27 2.02 0.65 -2.55 112.91 113.30 2qbg h THR 165 Ca 0.21 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.45 2qbg h THR 165 Cb 0.13 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 2qbg h THR 165 CO -0.03 0.00 0.58 0.44 0.37 0.00 0.00 175.52 176.88 2qbg h ASP 166 N -0.51 0.91 -0.36 4.18 3.32 -0.89 -0.10 116.42 122.97 2qbg h ASP 166 Ca -0.05 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.05 2qbg h ASP 166 Cb 0.40 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.74 2qbg h ASP 166 CO 0.08 0.58 0.16 -0.08 -1.72 0.00 0.00 179.24 178.26 2qbg h GLU 167 N 1.04 0.33 -0.29 3.56 4.81 -1.20 -1.15 114.58 121.69 2qbg h GLU 167 Ca 0.40 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.46 2qbg h GLU 167 Cb 0.18 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2qbg h GLU 167 CO -0.18 0.22 -0.44 0.74 -0.73 0.00 0.00 179.01 178.63 2qbg h PHE 168 N 0.34 0.89 0.15 0.92 -1.00 -0.98 -2.15 116.94 115.10 2qbg h PHE 168 Ca 0.15 -0.28 0.01 0.00 2.81 0.00 0.00 57.97 60.67 2qbg h PHE 168 Cb 0.08 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.44 2qbg h PHE 168 CO -0.11 1.04 -0.21 0.82 -1.61 0.00 0.00 178.31 178.24 2qbg h ILE 169 N 0.59 0.53 -0.90 -0.55 1.08 -0.74 -0.71 117.51 116.83 2qbg h ILE 169 Ca 0.04 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.64 2qbg h ILE 169 Cb 0.99 0.53 -0.09 0.00 -3.07 0.00 0.00 36.82 35.19 2qbg h ILE 169 CO 0.09 0.00 0.51 0.00 -0.69 0.00 0.00 178.15 178.06 2qbg h ALA 170 N 0.35 1.35 0.32 1.87 0.00 -1.18 -1.75 119.26 120.22 2qbg h ALA 170 Ca 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qbg h ALA 170 Cb 0.42 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2qbg h ALA 170 CO -0.09 0.03 -0.31 -0.22 0.00 0.00 0.00 179.25 178.66 2qbg h LYS 171 N 0.76 -0.63 -0.59 0.00 3.11 -0.63 -1.34 116.57 117.26 2qbg h LYS 171 Ca 0.47 0.04 0.12 0.00 -2.81 0.00 0.00 60.65 58.47 2qbg h LYS 171 Cb 0.58 0.14 -0.12 0.00 -1.00 0.00 0.00 32.23 31.84 2qbg h LYS 171 CO -0.32 -0.42 -0.21 0.00 -2.81 0.00 0.00 179.45 175.70 2qbg h ALA 172 N -0.10 0.26 -0.51 5.00 0.00 -0.32 0.13 119.26 123.72 2qbg h ALA 172 Ca -0.02 0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.20 2qbg h ALA 172 Cb 0.59 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 2qbg h ALA 172 CO -0.05 -0.50 0.07 -0.44 0.00 0.00 0.00 179.25 178.32 2qbg h ASP 173 N -0.06 -0.08 -0.67 0.00 3.32 -0.95 -1.15 116.42 116.84 2qbg h ASP 173 Ca 0.27 0.10 0.13 0.00 0.02 0.00 0.00 57.03 57.56 2qbg h ASP 173 Cb 0.49 0.16 -0.13 0.00 0.22 0.00 0.00 39.33 40.07 2qbg h ASP 173 CO -0.64 -0.01 -0.18 -0.61 -1.72 0.00 0.00 179.24 176.08 2qbg h GLN 174 N 0.19 -0.01 -0.59 3.56 -0.00 0.40 0.18 115.11 118.84 2qbg h GLN 174 Ca 0.26 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.94 2qbg h GLN 174 Cb 0.37 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.81 2qbg h GLN 174 CO -0.37 -0.01 0.36 -0.07 0.00 0.00 0.00 178.83 178.74 2qbg h LEU 175 N -0.01 0.58 -0.47 -2.39 4.07 -0.82 -2.28 115.31 113.99 2qbg h LEU 175 Ca 0.32 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.36 2qbg h LEU 175 Cb 0.50 -0.12 -0.07 0.00 1.08 0.00 0.00 40.66 42.05 2qbg h LEU 175 CO -0.69 0.41 0.09 0.00 -1.08 0.00 0.00 178.44 177.17 2qbg h ALA 176 N 1.26 0.52 -0.50 1.53 0.00 -0.02 -1.93 119.26 120.13 2qbg h ALA 176 Ca 0.24 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2qbg h ALA 176 Cb 0.03 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2qbg h ALA 176 CO -0.10 -0.31 0.25 1.49 0.00 0.00 0.00 179.25 180.58 2qbg h GLU 177 N 0.23 0.72 0.28 0.00 4.22 -0.89 -0.84 114.58 118.31 2qbg h GLU 177 Ca 0.23 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.58 2qbg h GLU 177 Cb 0.30 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2qbg h GLU 177 CO -0.31 0.58 -0.27 0.87 -2.18 0.00 0.00 179.01 177.71 2qbg h LYS 178 N 0.67 -0.56 -0.82 1.92 1.57 -0.91 -1.53 116.57 116.90 2qbg h LYS 178 Ca 0.17 0.04 0.06 0.00 -1.87 0.00 0.00 60.65 59.06 2qbg h LYS 178 Cb 0.10 0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 2qbg h LYS 178 CO -0.02 -0.37 0.54 -0.22 -0.57 0.00 0.00 179.45 178.80 2qbg h LYS 179 N -0.58 0.87 -0.17 3.15 1.63 -1.31 -1.50 116.57 118.67 2qbg h LYS 179 Ca -0.01 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.79 2qbg h LYS 179 Cb 0.53 -0.20 -0.07 0.00 -0.60 0.00 0.00 32.23 31.90 2qbg h LYS 179 CO -0.05 0.58 -0.30 1.49 -3.45 0.00 0.00 179.45 177.72 2qbg h GLU 180 N 0.90 -0.34 0.17 1.90 4.57 -0.19 0.37 114.58 121.97 2qbg h GLU 180 Ca 0.35 0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.55 2qbg h GLU 180 Cb 0.23 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2qbg h GLU 180 CO -0.13 -0.22 -0.08 1.96 -1.18 0.00 0.00 179.01 179.36 2qbg h GLN 181 N -0.35 -0.22 -0.97 1.92 4.20 -0.79 -0.73 115.11 118.17 2qbg h GLN 181 Ca 0.11 0.01 0.32 0.00 0.06 0.00 0.00 58.65 59.15 2qbg h GLN 181 Cb 0.52 0.05 -0.16 0.00 0.30 0.00 0.00 27.48 28.19 2qbg h GLN 181 CO -0.37 -0.00 0.41 0.93 -0.67 0.00 0.00 178.83 179.13 2qbg h GLU 182 N -0.41 0.17 -0.09 1.46 5.08 -0.84 0.66 114.58 120.62 2qbg h GLU 182 Ca -0.02 -0.01 -0.23 0.00 -1.00 0.00 0.00 59.36 58.10 2qbg h GLU 182 Cb 0.32 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.54 2qbg h GLU 182 CO 0.04 0.12 -0.85 0.82 -1.00 0.00 0.00 179.01 178.14 2qbg h ILE 183 N 0.18 1.31 0.00 3.13 2.04 -0.60 -3.00 117.51 120.57 2qbg h ILE 183 Ca 0.70 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 64.44 2qbg h ILE 183 Cb 1.61 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.83 2qbg h ILE 183 CO -0.70 0.66 0.00 0.18 0.00 0.00 0.00 178.15 178.29 2qbg n LEU 184 N -3.88 1.09 0.00 1.44 4.77 0.22 -4.84 117.00 115.81 2qbg n LEU 184 Ca -0.08 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 2qbg n LEU 184 Cb 0.78 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2qbg n LEU 184 CO 0.53 0.24 0.14 0.61 -1.33 0.00 0.00 177.39 177.58