#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi s THR 2 N 0.00 1.22 0.16 2.03 -4.23 -1.26 -5.00 115.64 108.57 2qbi s THR 2 Ca 0.00 -2.02 -0.16 0.00 -1.18 0.00 0.00 61.69 58.33 2qbi s THR 2 Cb 0.00 -2.70 0.07 0.00 1.34 0.00 0.00 72.50 71.21 2qbi s THR 2 CO 0.00 -0.08 1.69 -0.07 -0.54 0.00 0.00 174.62 175.62 2qbi h LEU 3 N 2.18 -0.21 -0.14 4.79 4.07 -2.01 0.56 115.31 124.56 2qbi h LEU 3 Ca -0.40 0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.65 2qbi h LEU 3 Cb 1.24 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 43.15 2qbi h LEU 3 CO 0.69 -0.07 0.09 0.50 -1.08 0.00 0.00 178.44 178.57 2qbi h LYS 4 N 0.08 0.18 -0.33 1.13 3.64 -1.99 -0.38 116.57 118.90 2qbi h LYS 4 Ca 0.19 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.61 2qbi h LYS 4 Cb 0.27 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 2qbi h LYS 4 CO -0.34 0.13 0.06 0.93 -2.27 0.00 0.00 179.45 177.96 2qbi h GLU 5 N 0.18 0.17 -0.34 1.90 5.08 -1.80 -0.28 114.58 119.48 2qbi h GLU 5 Ca 0.05 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2qbi h GLU 5 Cb -0.01 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2qbi h GLU 5 CO -0.01 0.12 0.08 1.25 -1.00 0.00 0.00 179.01 179.44 2qbi h LEU 6 N 0.18 0.03 -0.44 1.33 6.46 -0.67 -0.39 115.31 121.81 2qbi h LEU 6 Ca 0.16 0.05 0.08 0.00 -0.12 0.00 0.00 57.88 58.05 2qbi h LEU 6 Cb 0.17 0.07 -0.09 0.00 -0.73 0.00 0.00 40.66 40.08 2qbi h LEU 6 CO -0.21 0.05 -0.38 1.88 -0.62 0.00 0.00 178.44 179.16 2qbi h TYR 7 N 0.20 -1.09 -0.33 1.25 0.05 0.38 0.50 116.97 117.93 2qbi h TYR 7 Ca 0.16 0.07 0.05 0.00 0.05 0.00 0.00 58.73 59.06 2qbi h TYR 7 Cb 0.18 0.54 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 2qbi h TYR 7 CO -0.18 -0.41 0.22 0.00 -1.05 0.00 0.00 178.16 176.74 2qbi h ALA 8 N 0.63 2.04 -0.01 3.88 0.00 -0.27 -2.20 119.26 123.32 2qbi h ALA 8 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qbi h ALA 8 Cb 0.56 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2qbi h ALA 8 CO -0.58 -0.10 0.00 1.49 0.00 0.00 0.00 179.25 180.05 2qbi h GLU 9 N 0.21 0.01 -0.40 0.00 4.81 0.16 -0.75 114.58 118.62 2qbi h GLU 9 Ca 0.14 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2qbi h GLU 9 Cb 0.31 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 2qbi h GLU 9 CO -0.03 0.27 0.24 1.15 -0.73 0.00 0.00 179.01 179.91 2qbi h THR 10 N -0.24 1.05 -0.67 0.32 2.02 -0.52 0.07 112.91 114.93 2qbi h THR 10 Ca 0.00 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.05 2qbi h THR 10 Cb 0.26 0.52 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 2qbi h THR 10 CO 0.00 0.09 0.41 -0.09 0.37 0.00 0.00 175.52 176.30 2qbi h ARG 11 N 0.49 0.77 0.50 6.66 2.43 -1.37 -1.36 114.38 122.50 2qbi h ARG 11 Ca 0.16 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 2qbi h ARG 11 Cb 0.00 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.38 2qbi h ARG 11 CO -0.07 0.51 -0.24 1.03 -1.51 0.00 0.00 179.97 179.69 2qbi h SER 12 N 0.80 -0.56 -0.84 -3.80 0.87 -0.49 -1.27 113.55 108.25 2qbi h SER 12 Ca 0.27 0.02 0.21 0.00 -1.23 0.00 0.00 61.79 61.07 2qbi h SER 12 Cb 0.04 0.15 -0.14 0.00 -0.44 0.00 0.00 62.40 62.01 2qbi h SER 12 CO -0.12 -0.37 0.18 0.45 -0.53 0.00 0.00 176.83 176.44 2qbi h HIS 13 N -0.73 0.26 -0.13 2.24 3.86 -0.96 0.78 115.15 120.48 2qbi h HIS 13 Ca -0.07 0.05 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 2qbi h HIS 13 Cb 0.51 0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.99 2qbi h HIS 13 CO 0.09 -0.20 -0.17 0.52 0.86 0.00 0.00 177.93 179.03 2qbi h MET 14 N 0.20 0.20 -0.49 2.45 2.07 -1.21 -1.47 114.93 116.68 2qbi h MET 14 Ca 0.51 -0.05 -0.08 0.00 -2.07 0.00 0.00 59.70 58.01 2qbi h MET 14 Cb 1.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 30.68 2qbi h MET 14 CO -0.65 0.38 0.00 0.37 1.07 0.00 0.00 176.91 178.08 2qbi h GLN 15 N 0.19 0.86 -0.18 1.72 5.75 0.18 0.13 115.11 123.76 2qbi h GLN 15 Ca 0.04 -0.27 -0.01 0.00 -0.15 0.00 0.00 58.65 58.25 2qbi h GLN 15 Cb 0.42 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 2qbi h GLN 15 CO 0.03 0.90 0.07 0.87 -2.65 0.00 0.00 178.83 178.05 2qbi h LYS 16 N 0.72 0.27 -0.59 1.69 6.56 -0.67 -0.02 116.57 124.53 2qbi h LYS 16 Ca 0.14 -0.05 -0.00 0.00 -1.06 0.00 0.00 60.65 59.68 2qbi h LYS 16 Cb 0.51 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 32.10 2qbi h LYS 16 CO 0.02 0.34 0.36 0.66 -2.06 0.00 0.00 179.45 178.78 2qbi h SER 17 N 0.13 0.70 -0.71 0.86 4.64 -1.17 -1.05 113.55 116.95 2qbi h SER 17 Ca 0.06 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2qbi h SER 17 Cb 0.17 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 2qbi h SER 17 CO -0.00 0.54 0.45 0.25 -0.87 0.00 0.00 176.83 177.20 2qbi h LEU 18 N 0.80 0.83 -1.15 5.97 5.85 -0.80 -1.57 115.31 125.24 2qbi h LEU 18 Ca 0.21 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.92 2qbi h LEU 18 Cb -0.04 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.74 2qbi h LEU 18 CO -0.04 0.62 0.58 -0.33 -0.34 0.00 0.00 178.44 178.93 2qbi h GLU 19 N 0.96 1.10 -0.35 1.25 5.08 -0.30 0.13 114.58 122.46 2qbi h GLU 19 Ca 0.26 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2qbi h GLU 19 Cb -0.08 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 28.91 2qbi h GLU 19 CO -0.05 0.73 0.13 0.28 -1.00 0.00 0.00 179.01 179.10 2qbi h VAL 20 N 1.14 1.14 0.26 3.13 2.07 -0.27 -1.14 116.25 122.58 2qbi h VAL 20 Ca 0.34 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2qbi h VAL 20 Cb -0.05 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2qbi h VAL 20 CO -0.09 0.17 -0.13 0.25 0.02 0.00 0.00 177.57 177.80 2qbi h LEU 21 N 0.49 -0.30 -1.16 2.57 5.85 -0.02 -1.33 115.31 121.41 2qbi h LEU 21 Ca 0.12 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.88 2qbi h LEU 21 Cb 0.12 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 2qbi h LEU 21 CO -0.01 -0.19 0.58 -0.33 -0.34 0.00 0.00 178.44 178.15 2qbi h GLU 22 N -0.39 1.00 -0.31 1.25 5.08 -0.86 0.12 114.58 120.48 2qbi h GLU 22 Ca -0.04 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 2qbi h GLU 22 Cb 0.29 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2qbi h GLU 22 CO 0.06 0.66 0.10 1.25 -1.00 0.00 0.00 179.01 180.09 2qbi h HIS 23 N 1.03 0.18 -0.37 4.33 2.76 -0.76 0.06 115.15 122.38 2qbi h HIS 23 Ca 0.37 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.43 2qbi h HIS 23 Cb 0.15 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.07 2qbi h HIS 23 CO -0.00 0.08 -0.29 -0.91 -1.30 0.00 0.00 177.93 175.51 2qbi h ASN 24 N 0.24 0.89 0.57 3.26 -0.26 -0.31 -2.39 115.58 117.57 2qbi h ASN 24 Ca 0.14 -0.44 -0.03 0.00 -0.56 0.00 0.00 56.30 55.41 2qbi h ASN 24 Cb 0.11 -0.25 0.01 0.00 -1.06 0.00 0.00 38.32 37.13 2qbi h ASN 24 CO -0.15 1.15 -0.27 -0.07 -1.06 0.00 0.00 177.43 177.03 2qbi h LEU 25 N 0.65 -0.65 -2.30 1.61 3.38 -0.50 -2.75 115.31 114.76 2qbi h LEU 25 Ca 0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2qbi h LEU 25 Cb 0.87 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 2qbi h LEU 25 CO 0.08 -0.38 -0.01 0.00 0.09 0.00 0.00 178.44 178.22 2qbi h ALA 26 N -0.52 1.68 0.00 1.53 0.00 -1.08 0.74 119.26 121.61 2qbi h ALA 26 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qbi h ALA 26 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2qbi h ALA 26 CO 0.13 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2qbi n GLY 27 N -1.37 -0.26 3.50 0.00 0.00 -0.90 -3.77 105.19 102.39 2qbi n GLY 27 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 2qbi n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbi s LEU 28 N -0.76 2.65 -0.82 0.99 1.43 0.25 -5.05 118.68 117.38 2qbi s LEU 28 Ca 0.00 -1.13 -0.09 0.00 -1.03 0.00 0.00 54.13 51.88 2qbi s LEU 28 Cb 0.00 -0.99 0.21 0.00 0.03 0.00 0.00 46.19 45.44 2qbi s LEU 28 CO 0.00 -0.13 0.72 -0.13 0.23 0.00 0.00 176.35 177.05 2qbi s ARG 29 N -3.59 3.37 0.00 1.70 0.52 -1.26 -4.74 118.95 114.95 2qbi s ARG 29 Ca 0.31 -2.66 0.00 0.00 -0.52 0.00 0.00 55.73 52.86 2qbi s ARG 29 Cb -0.00 -4.21 0.00 0.00 0.52 0.00 0.00 34.95 31.26 2qbi s ARG 29 CO 0.15 -1.25 0.00 0.25 0.02 0.00 0.00 175.30 174.47 2qbi n THR 30 N 3.52 0.00 0.97 0.02 -2.24 -1.26 -4.34 114.28 110.94 2qbi n THR 30 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 2qbi n THR 30 Cb 0.43 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 2qbi n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbi n GLY 31 N 0.69 0.88 2.34 3.38 0.00 0.18 -4.62 105.19 108.04 2qbi n GLY 31 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 2qbi n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbi n ARG 32 N -0.01 -1.46 -0.14 1.61 1.74 -1.26 -4.83 116.66 112.30 2qbi n ARG 32 Ca 0.00 0.99 0.03 0.00 -0.77 0.00 0.00 57.85 58.10 2qbi n ARG 32 Cb 0.17 -5.36 0.09 0.00 -1.02 0.00 0.00 32.46 26.34 2qbi n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbi n ALA 33 N 0.50 2.61 -2.79 7.54 0.00 -1.26 -4.85 120.51 122.26 2qbi n ALA 33 Ca -0.18 -0.38 -0.34 0.00 0.00 0.00 0.00 53.44 52.53 2qbi n ALA 33 Cb 0.58 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 2qbi n ALA 33 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qbi s ASN 34 N -0.71 5.15 0.24 0.00 -0.87 -1.26 -4.83 114.94 112.66 2qbi s ASN 34 Ca 0.13 0.05 0.15 0.00 -1.57 0.00 0.00 52.86 51.61 2qbi s ASN 34 Cb 0.08 -1.64 0.02 0.00 -0.02 0.00 0.00 41.25 39.69 2qbi s ASN 34 CO 0.07 0.28 1.34 1.55 -2.57 0.00 0.00 177.10 177.77 2qbi h PRO 35 N 5.89 0.00 0.00 -0.60 0.13 -1.89 -3.22 132.00 132.31 2qbi h PRO 35 Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2qbi h PRO 35 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 2qbi h PRO 35 CO 0.60 0.49 -0.01 0.00 -0.23 0.00 0.00 178.00 178.84 2qbi h ALA 36 N 1.47 1.06 -0.33 -0.56 0.00 -1.91 -2.98 119.26 116.01 2qbi h ALA 36 Ca -0.03 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2qbi h ALA 36 Cb 1.43 -0.00 -0.08 0.00 0.00 0.00 0.00 17.79 19.13 2qbi h ALA 36 CO 0.06 0.02 -0.36 1.25 0.00 0.00 0.00 179.25 180.22 2qbi h LEU 37 N 0.00 -1.19 -1.12 0.00 5.85 -1.64 -1.79 115.31 115.41 2qbi h LEU 37 Ca -0.00 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2qbi h LEU 37 Cb 0.15 0.53 0.00 0.00 0.37 0.00 0.00 40.66 41.72 2qbi h LEU 37 CO 0.00 -0.35 0.00 0.18 -0.34 0.00 0.00 178.44 177.93 2qbi n LEU 38 N -5.42 1.69 0.23 2.25 4.77 -1.13 -4.48 117.00 114.92 2qbi n LEU 38 Ca -0.01 -0.68 -0.17 0.00 -0.03 0.00 0.00 56.01 55.13 2qbi n LEU 38 Cb 0.34 -0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.26 2qbi n LEU 38 CO 0.08 0.34 0.57 0.17 -1.33 0.00 0.00 177.39 177.21 2qbi h LEU 39 N 2.33 -1.25 0.00 2.23 8.10 -1.33 -1.95 115.31 123.44 2qbi h LEU 39 Ca 0.00 0.11 0.00 0.00 0.11 0.00 0.00 57.88 58.10 2qbi h LEU 39 Cb 0.51 0.43 0.00 0.00 -0.44 0.00 0.00 40.66 41.16 2qbi h LEU 39 CO 0.00 -0.58 0.00 1.41 -4.11 0.00 0.00 178.44 175.16 2qbi n HIS 40 N -5.52 0.00 -1.51 0.17 8.25 -1.26 -3.21 115.22 112.14 2qbi n HIS 40 Ca -0.10 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.23 2qbi n HIS 40 Cb 0.42 -0.38 -0.10 0.00 1.12 0.00 0.00 29.99 31.05 2qbi n HIS 40 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qbi n LEU 41 N -1.38 0.99 -4.67 2.41 4.32 -0.73 -4.58 117.00 113.35 2qbi n LEU 41 Ca 0.03 -2.07 -0.42 0.00 -0.02 0.00 0.00 56.01 53.53 2qbi n LEU 41 Cb 0.09 -1.56 -0.03 0.00 -1.62 0.00 0.00 43.42 40.30 2qbi n LEU 41 CO 0.08 -3.16 1.30 -0.54 -1.22 0.00 0.00 177.39 173.85 2qbi s LYS 42 N 8.23 4.20 0.07 3.23 1.02 -1.25 0.21 119.74 135.46 2qbi s LYS 42 Ca 0.78 2.15 0.04 0.00 0.02 0.00 0.00 55.97 58.97 2qbi s LYS 42 Cb -0.09 -3.83 -0.04 0.00 -0.52 0.00 0.00 37.83 33.35 2qbi s LYS 42 CO 0.16 -0.77 -0.01 0.08 -0.92 0.00 0.00 175.35 173.89 2qbi s VAL 43 N 3.44 3.98 0.02 3.17 1.01 0.93 -4.62 120.40 128.34 2qbi s VAL 43 Ca 0.71 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 2qbi s VAL 43 Cb -0.34 -2.86 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 2qbi s VAL 43 CO 0.29 0.19 1.37 -1.61 0.00 0.00 0.00 175.10 175.33 2qbi s GLU 44 N -2.10 4.31 -0.30 2.72 0.41 -1.26 0.20 118.70 122.69 2qbi s GLU 44 Ca 0.24 1.95 -0.13 0.00 -0.41 0.00 0.00 54.97 56.62 2qbi s GLU 44 Cb -0.12 -3.49 0.15 0.00 -1.78 0.00 0.00 34.13 28.90 2qbi s GLU 44 CO 0.16 -0.51 0.87 -0.47 -0.49 0.00 0.00 175.26 174.81 2qbi s TYR 45 N 2.02 -0.92 -0.85 1.61 6.04 0.21 -4.91 117.35 120.55 2qbi s TYR 45 Ca 0.63 1.55 0.00 0.00 0.04 0.00 0.00 57.07 59.29 2qbi s TYR 45 Cb -0.32 0.53 0.00 0.00 -1.04 0.00 0.00 41.96 41.14 2qbi s TYR 45 CO 0.27 -0.46 0.00 0.66 -1.54 0.00 0.00 175.55 174.48 2qbi n TYR 46 N 5.16 -0.16 0.00 4.97 0.53 -1.26 -2.88 117.16 123.52 2qbi n TYR 46 Ca -0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.78 2qbi n TYR 46 Cb 0.51 -1.94 0.00 0.00 -1.03 0.00 0.00 39.34 36.89 2qbi n TYR 46 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qbi n GLY 47 N -1.57 2.21 3.43 2.72 0.00 -1.26 -5.04 105.19 105.68 2qbi n GLY 47 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2qbi n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbi s ALA 48 N -2.37 2.52 -0.81 4.61 0.00 -1.14 -5.08 121.76 119.49 2qbi s ALA 48 Ca 0.00 -1.74 -0.18 0.00 0.00 0.00 0.00 51.96 50.04 2qbi s ALA 48 Cb 0.00 -0.25 0.14 0.00 0.00 0.00 0.00 23.12 23.01 2qbi s ALA 48 CO 0.00 0.30 0.94 -1.01 0.00 0.00 0.00 175.76 175.99 2qbi s HIS 49 N -2.24 3.21 0.10 0.00 3.76 -1.24 0.63 115.29 119.51 2qbi s HIS 49 Ca 0.25 -1.38 -0.30 0.00 -0.15 0.00 0.00 55.06 53.48 2qbi s HIS 49 Cb -0.06 -4.12 -0.06 0.00 1.11 0.00 0.00 32.58 29.46 2qbi s HIS 49 CO 0.12 -1.34 1.00 0.14 -0.85 0.00 0.00 174.74 173.80 2qbi s VAL 50 N 2.20 4.42 -0.22 -0.90 -7.23 0.54 -4.18 120.40 115.02 2qbi s VAL 50 Ca 0.24 1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 62.09 2qbi s VAL 50 Cb -0.11 -4.25 -0.05 0.00 0.56 0.00 0.00 36.38 32.53 2qbi s VAL 50 CO -0.05 0.28 2.10 -2.16 -0.31 0.00 0.00 175.10 174.96 2qbi s PRO 51 N 0.15 3.26 0.00 4.82 0.04 -1.26 0.31 135.00 142.32 2qbi s PRO 51 Ca 0.49 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.46 2qbi s PRO 51 Cb -0.24 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 29.98 2qbi s PRO 51 CO 0.30 -1.96 0.00 -0.11 0.04 0.00 0.00 177.00 175.28 2qbi n LEU 52 N 11.03 0.00 -0.31 -3.56 0.00 0.56 -0.20 117.00 124.52 2qbi n LEU 52 Ca 0.27 0.00 0.11 0.00 0.00 0.00 0.00 56.01 56.40 2qbi n LEU 52 Cb 0.45 0.00 0.28 0.00 0.00 0.00 0.00 43.42 44.15 2qbi n LEU 52 CO 0.67 0.00 1.10 -0.55 0.00 0.00 0.00 177.39 178.61 2qbi h ASN 53 N 0.00 0.52 0.00 1.96 7.08 -1.73 0.82 115.58 124.24 2qbi h ASN 53 Ca 0.00 0.12 0.00 0.00 -3.08 0.00 0.00 56.30 53.34 2qbi h ASN 53 Cb 0.00 0.04 0.00 0.00 -2.08 0.00 0.00 38.32 36.28 2qbi h ASN 53 CO 0.00 0.15 0.00 0.00 -2.08 0.00 0.00 177.43 175.50 2qbi n GLN 54 N -4.91 0.71 0.00 4.14 6.02 0.72 -2.89 117.38 121.18 2qbi n GLN 54 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 2qbi n GLN 54 Cb 0.56 -1.18 0.00 0.00 1.02 0.00 0.00 30.24 30.64 2qbi n GLN 54 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 2qbi n ILE 55 N -0.17 0.00 -4.09 5.09 0.13 0.19 -5.00 119.36 115.51 2qbi n ILE 55 Ca 0.00 0.00 -0.14 0.00 -1.10 0.00 0.00 62.75 61.51 2qbi n ILE 55 Cb 0.09 0.00 -0.04 0.00 -0.84 0.00 0.00 39.64 38.85 2qbi n ILE 55 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2qbi s ALA 56 N -0.14 0.75 -0.13 1.51 0.00 0.23 -4.20 121.76 119.77 2qbi s ALA 56 Ca 0.00 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.47 2qbi s ALA 56 Cb 0.00 1.17 0.02 0.00 0.00 0.00 0.00 23.12 24.31 2qbi s ALA 56 CO 0.00 -0.78 -0.15 0.99 0.00 0.00 0.00 175.76 175.82 2qbi s THR 57 N -3.17 1.55 -0.32 0.00 2.01 1.12 -4.27 115.64 112.57 2qbi s THR 57 Ca 0.31 -0.64 -0.07 0.00 0.31 0.00 0.00 61.69 61.60 2qbi s THR 57 Cb -0.00 -1.44 0.02 0.00 0.01 0.00 0.00 72.50 71.09 2qbi s THR 57 CO 0.19 0.45 0.10 -0.69 -0.69 0.00 0.00 174.62 173.99 2qbi s VAL 58 N 1.31 3.93 0.08 3.82 1.01 -1.24 0.15 120.40 129.45 2qbi s VAL 58 Ca 0.01 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.16 2qbi s VAL 58 Cb -0.14 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 2qbi s VAL 58 CO -0.07 -0.04 -0.13 0.42 0.00 0.00 0.00 175.10 175.27 2qbi s THR 59 N 1.47 1.04 -0.74 3.92 -4.23 -0.22 -4.69 115.64 112.18 2qbi s THR 59 Ca 0.01 -1.36 -0.07 0.00 -1.18 0.00 0.00 61.69 59.09 2qbi s THR 59 Cb -0.18 -1.09 0.19 0.00 1.34 0.00 0.00 72.50 72.76 2qbi s THR 59 CO 0.03 -0.30 0.61 0.00 -0.54 0.00 0.00 174.62 174.41 2qbi s ALA 60 N -1.51 3.86 0.16 3.99 0.00 -1.26 -0.94 121.76 126.06 2qbi s ALA 60 Ca -0.01 -3.37 -0.22 0.00 0.00 0.00 0.00 51.96 48.37 2qbi s ALA 60 Cb -0.09 -3.01 0.07 0.00 0.00 0.00 0.00 23.12 20.09 2qbi s ALA 60 CO 0.02 -2.18 1.62 -1.35 0.00 0.00 0.00 175.76 173.86 2qbi h PRO 61 N 7.17 -0.21 -5.13 0.00 0.11 -1.95 -3.42 132.00 128.58 2qbi h PRO 61 Ca 0.05 0.01 -0.35 0.00 0.11 0.00 0.00 66.00 65.82 2qbi h PRO 61 Cb 0.97 0.05 -0.18 0.00 0.11 0.00 0.00 31.00 31.95 2qbi h PRO 61 CO 0.75 -0.14 -0.74 0.16 -0.21 0.00 0.00 178.00 177.82 2qbi s ASP 62 N -5.08 1.66 0.00 -2.05 -4.77 -1.25 -5.02 116.67 100.16 2qbi s ASP 62 Ca -0.15 -0.82 0.00 0.00 -3.30 0.00 0.00 52.55 48.28 2qbi s ASP 62 Cb 0.14 -0.02 0.00 0.00 -1.09 0.00 0.00 42.92 41.95 2qbi s ASP 62 CO 0.69 -0.23 0.60 -2.65 0.70 0.00 0.00 175.17 174.27 2qbi n PRO 63 N 0.50 0.00 -0.02 2.11 -0.02 -1.26 -1.38 135.00 134.92 2qbi n PRO 63 Ca -0.15 0.17 0.01 0.00 -2.02 0.00 0.00 63.50 61.51 2qbi n PRO 63 Cb 0.58 -1.57 0.02 0.00 -0.02 0.00 0.00 33.50 32.51 2qbi n PRO 63 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qbi n ARG 64 N -1.10 2.04 -3.68 -0.52 3.00 -1.26 -4.54 116.66 110.61 2qbi n ARG 64 Ca 0.00 -1.36 -0.10 0.00 -0.01 0.00 0.00 57.85 56.38 2qbi n ARG 64 Cb 0.07 -1.05 -0.11 0.00 0.00 0.00 0.00 32.46 31.37 2qbi n ARG 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2qbi s THR 65 N -0.79 -0.37 -0.06 0.55 2.01 -0.48 -2.20 115.64 114.30 2qbi s THR 65 Ca 0.04 0.17 -0.01 0.00 0.31 0.00 0.00 61.69 62.19 2qbi s THR 65 Cb 0.02 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.91 2qbi s THR 65 CO 0.03 0.07 0.02 -0.76 -0.69 0.00 0.00 174.62 173.29 2qbi s LEU 66 N 2.12 3.65 -0.02 4.42 1.02 -0.39 -3.34 118.68 126.14 2qbi s LEU 66 Ca -0.04 0.13 0.04 0.00 0.02 0.00 0.00 54.13 54.29 2qbi s LEU 66 Cb -0.11 -1.93 -0.01 0.00 0.02 0.00 0.00 46.19 44.17 2qbi s LEU 66 CO -0.12 0.35 -0.15 0.68 0.02 0.00 0.00 176.35 177.13 2qbi s VAL 67 N -0.97 1.25 -0.42 -1.59 -7.23 -0.12 -0.08 120.40 111.23 2qbi s VAL 67 Ca 0.16 -0.65 0.02 0.00 -1.81 0.00 0.00 61.98 59.70 2qbi s VAL 67 Cb -0.11 -1.05 0.12 0.00 0.56 0.00 0.00 36.38 35.89 2qbi s VAL 67 CO 0.05 0.36 0.16 -0.69 -0.31 0.00 0.00 175.10 174.67 2qbi s VAL 68 N -0.21 2.63 -0.03 1.32 1.01 0.09 -1.06 120.40 124.15 2qbi s VAL 68 Ca 0.03 -2.64 -0.28 0.00 0.00 0.00 0.00 61.98 59.09 2qbi s VAL 68 Cb -0.08 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2qbi s VAL 68 CO 0.00 -0.69 0.91 -1.10 0.00 0.00 0.00 175.10 174.22 2qbi s GLN 69 N 0.51 4.51 -0.19 2.72 -0.21 0.39 -0.26 119.66 127.14 2qbi s GLN 69 Ca 0.13 1.28 -0.00 0.00 0.02 0.00 0.00 55.36 56.79 2qbi s GLN 69 Cb -0.22 -3.47 0.05 0.00 1.00 0.00 0.00 33.01 30.37 2qbi s GLN 69 CO -0.05 -0.06 -0.06 0.45 -2.12 0.00 0.00 175.29 173.46 2qbi s SER 70 N 0.98 3.14 0.58 5.90 0.15 0.24 0.36 113.70 125.05 2qbi s SER 70 Ca 0.48 -0.81 0.29 0.00 0.70 0.00 0.00 55.95 56.61 2qbi s SER 70 Cb -0.20 -1.02 1.46 0.00 -1.71 0.00 0.00 66.02 64.55 2qbi s SER 70 CO 0.24 -0.19 1.88 -0.50 1.20 0.00 0.00 173.24 175.87 2qbi h TRP 71 N 8.06 0.00 -3.34 3.44 4.06 -1.80 -3.38 115.95 123.00 2qbi h TRP 71 Ca -0.24 0.00 -0.63 0.00 2.06 0.00 0.00 58.89 60.09 2qbi h TRP 71 Cb 1.10 0.00 -0.19 0.00 -1.00 0.00 0.00 29.16 29.08 2qbi h TRP 71 CO 0.46 0.00 -0.60 0.34 -3.56 0.00 0.00 178.44 175.08 2qbi s ASP 72 N -5.23 5.30 0.01 -3.49 -1.08 -1.26 -5.02 116.67 105.89 2qbi s ASP 72 Ca -0.04 -0.02 -0.24 0.00 -0.52 0.00 0.00 52.55 51.72 2qbi s ASP 72 Cb 0.16 -1.90 -0.18 0.00 -1.46 0.00 0.00 42.92 39.55 2qbi s ASP 72 CO 0.58 0.15 1.35 0.06 0.52 0.00 0.00 175.17 177.83 2qbi h GLN 73 N 6.89 0.09 -0.62 4.34 -0.00 -1.95 -2.55 115.11 121.31 2qbi h GLN 73 Ca -0.35 -0.04 0.11 0.00 -0.00 0.00 0.00 58.65 58.37 2qbi h GLN 73 Cb 1.18 -0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.62 2qbi h GLN 73 CO 0.66 0.48 0.41 -0.91 -0.00 0.00 0.00 178.83 179.48 2qbi h ASN 74 N -0.30 0.34 0.15 0.06 4.21 -1.95 0.38 115.58 118.46 2qbi h ASN 74 Ca 0.01 0.01 -0.16 0.00 1.21 0.00 0.00 56.30 57.37 2qbi h ASN 74 Cb 0.45 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.59 2qbi h ASN 74 CO 0.01 0.20 -0.61 0.00 -1.29 0.00 0.00 177.43 175.73 2qbi h ALA 75 N 1.69 0.70 -0.62 -0.83 0.00 -1.93 -3.04 119.26 115.23 2qbi h ALA 75 Ca 0.29 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.69 2qbi h ALA 75 Cb 0.63 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2qbi h ALA 75 CO -0.08 0.71 0.37 1.25 0.00 0.00 0.00 179.25 181.50 2qbi h LEU 76 N 0.34 0.59 0.76 0.00 5.85 -0.50 0.29 115.31 122.63 2qbi h LEU 76 Ca -0.01 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2qbi h LEU 76 Cb 1.15 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.07 2qbi h LEU 76 CO 0.11 0.40 -0.42 0.11 -0.34 0.00 0.00 178.44 178.30 2qbi h LYS 77 N 0.72 -1.06 0.00 1.25 1.79 -1.40 -2.46 116.57 115.41 2qbi h LYS 77 Ca 0.25 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 2qbi h LYS 77 Cb 0.06 0.24 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2qbi h LYS 77 CO -0.12 -0.71 0.00 0.00 -1.08 0.00 0.00 179.45 177.54 2qbi h ALA 78 N -0.91 1.00 0.09 3.86 0.00 -1.40 -2.72 119.26 119.18 2qbi h ALA 78 Ca -0.10 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qbi h ALA 78 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2qbi h ALA 78 CO 0.13 0.00 -0.04 0.82 0.00 0.00 0.00 179.25 180.16 2qbi h ILE 79 N 0.00 1.15 -0.94 0.00 2.04 0.02 -3.10 117.51 116.67 2qbi h ILE 79 Ca 0.00 -1.06 0.09 0.00 1.00 0.00 0.00 64.86 64.88 2qbi h ILE 79 Cb 0.21 1.81 -0.07 0.00 -0.74 0.00 0.00 36.82 38.03 2qbi h ILE 79 CO 0.00 0.25 0.61 -0.08 0.00 0.00 0.00 178.15 178.93 2qbi h GLU 80 N -0.63 0.98 -0.71 2.37 4.81 -1.17 0.21 114.58 120.44 2qbi h GLU 80 Ca -0.01 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2qbi h GLU 80 Cb 0.51 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2qbi h GLU 80 CO 0.02 0.65 0.00 1.63 -0.73 0.00 0.00 179.01 180.58 2qbi n LYS 81 N -4.53 0.56 0.00 1.92 5.02 -1.09 -2.01 118.16 118.03 2qbi n LYS 81 Ca 0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.45 2qbi n LYS 81 Cb 0.26 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.00 2qbi n LYS 81 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qbi n ALA 82 N 0.30 0.52 0.27 7.82 0.00 0.64 -4.78 120.51 125.28 2qbi n ALA 82 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2qbi n ALA 82 Cb 0.16 0.00 0.79 0.00 0.00 0.00 0.00 19.45 20.40 2qbi n ALA 82 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbi h ILE 83 N 0.00 0.45 0.00 0.00 1.08 -0.65 -3.38 117.51 115.02 2qbi h ILE 83 Ca 0.00 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 2qbi h ILE 83 Cb 0.00 1.30 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 2qbi h ILE 83 CO 0.00 0.09 0.00 -2.11 -0.69 0.00 0.00 178.15 175.44 2qbi n ARG 84 N -3.54 0.00 -2.99 2.37 1.85 -1.23 -4.33 116.66 108.80 2qbi n ARG 84 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.81 2qbi n ARG 84 Cb 0.22 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.62 2qbi n ARG 84 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2qbi n ASP 85 N 0.00 -0.04 0.00 2.89 9.92 -1.26 -4.67 116.55 123.39 2qbi n ASP 85 Ca 0.00 -0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 2qbi n ASP 85 Cb 0.00 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.37 2qbi n ASP 85 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2qbi n SER 86 N 0.29 0.00 0.00 -2.24 2.88 -1.26 -4.97 113.62 108.32 2qbi n SER 86 Ca -0.02 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.59 2qbi n SER 86 Cb 0.04 0.00 0.30 0.00 -0.75 0.00 0.00 64.21 63.80 2qbi n SER 86 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2qbi n ASP 87 N 0.00 0.00 -0.12 -3.46 3.85 -1.26 -2.94 116.55 112.61 2qbi n ASP 87 Ca 0.00 0.40 0.03 0.00 -0.71 0.00 0.00 54.79 54.50 2qbi n ASP 87 Cb 0.00 -0.45 0.33 0.00 -1.35 0.00 0.00 41.12 39.66 2qbi n ASP 87 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 2qbi h LEU 88 N 0.00 0.68 0.15 -2.12 4.07 -1.87 -3.46 115.31 112.76 2qbi h LEU 88 Ca 0.00 -0.02 -0.41 0.00 0.08 0.00 0.00 57.88 57.54 2qbi h LEU 88 Cb 0.20 -0.17 -0.11 0.00 1.08 0.00 0.00 40.66 41.66 2qbi h LEU 88 CO 0.00 0.48 -0.61 0.61 -1.08 0.00 0.00 178.44 177.85 2qbi n GLY 89 N -1.45 -0.48 3.78 0.83 0.00 -1.15 -4.91 105.19 101.81 2qbi n GLY 89 Ca 0.06 0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2qbi n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbi s LEU 90 N -6.64 4.46 -0.44 0.99 1.43 -1.26 -4.99 118.68 112.23 2qbi s LEU 90 Ca 0.48 1.20 -0.07 0.00 -1.03 0.00 0.00 54.13 54.71 2qbi s LEU 90 Cb -0.26 -2.91 0.11 0.00 0.03 0.00 0.00 46.19 43.16 2qbi s LEU 90 CO 0.59 0.16 0.29 0.21 0.23 0.00 0.00 176.35 177.83 2qbi s ASN 91 N -0.52 5.53 0.33 2.29 2.47 -1.26 -4.19 114.94 119.59 2qbi s ASN 91 Ca 0.30 -1.93 -0.28 0.00 0.42 0.00 0.00 52.86 51.37 2qbi s ASN 91 Cb -0.19 -1.94 -0.10 0.00 -1.45 0.00 0.00 41.25 37.57 2qbi s ASN 91 CO 0.18 -0.63 1.22 -2.84 -3.72 0.00 0.00 177.10 171.31 2qbi s PRO 92 N 1.29 4.40 -0.09 0.43 0.02 -1.26 -4.22 135.00 135.57 2qbi s PRO 92 Ca 0.06 2.03 -0.01 0.00 0.02 0.00 0.00 61.00 63.10 2qbi s PRO 92 Cb -0.25 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.19 2qbi s PRO 92 CO -0.02 -0.08 -0.04 -1.54 -0.33 0.00 0.00 177.00 175.00 2qbi s SER 93 N -0.71 4.90 -0.54 2.53 1.04 0.55 -4.86 113.70 116.62 2qbi s SER 93 Ca 0.49 0.02 -0.19 0.00 0.48 0.00 0.00 55.95 56.75 2qbi s SER 93 Cb -0.36 -1.41 0.08 0.00 0.10 0.00 0.00 66.02 64.43 2qbi s SER 93 CO 0.47 0.33 0.64 0.20 0.98 0.00 0.00 173.24 175.86 2qbi s ASN 94 N -0.59 6.20 -0.37 7.02 -0.87 -1.26 -1.10 114.94 123.97 2qbi s ASN 94 Ca 0.09 -1.15 0.03 0.00 -1.57 0.00 0.00 52.86 50.26 2qbi s ASN 94 Cb -0.12 -2.29 0.16 0.00 -0.02 0.00 0.00 41.25 38.98 2qbi s ASN 94 CO 0.02 -0.96 0.39 -0.75 -2.57 0.00 0.00 177.10 173.23 2qbi s LYS 95 N 2.57 0.62 1.69 -0.60 2.47 -1.21 -5.04 119.74 120.24 2qbi s LYS 95 Ca 0.13 -0.72 0.00 0.00 -1.56 0.00 0.00 55.97 53.82 2qbi s LYS 95 Cb -0.22 -0.63 0.00 0.00 -1.46 0.00 0.00 37.83 35.52 2qbi s LYS 95 CO 0.09 -1.18 0.00 0.41 0.16 0.00 0.00 175.35 174.83 2qbi n GLY 96 N 4.38 0.88 0.23 5.54 0.00 -1.26 -4.08 105.19 110.88 2qbi n GLY 96 Ca 0.10 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 45.06 2qbi n GLY 96 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qbi n ASP 97 N 1.96 1.34 -4.24 1.61 5.75 -1.26 -4.99 116.55 116.71 2qbi n ASP 97 Ca 0.00 -1.09 -0.27 0.00 -0.01 0.00 0.00 54.79 53.42 2qbi n ASP 97 Cb 0.00 0.58 -0.08 0.00 -1.03 0.00 0.00 41.12 40.59 2qbi n ASP 97 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qbi s ALA 98 N -2.73 3.11 -0.09 2.12 0.00 -1.26 0.82 121.76 123.74 2qbi s ALA 98 Ca 0.15 -1.14 0.03 0.00 0.00 0.00 0.00 51.96 51.00 2qbi s ALA 98 Cb 0.17 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.90 2qbi s ALA 98 CO 0.68 -0.28 -0.17 -0.51 0.00 0.00 0.00 175.76 175.49 2qbi s LEU 99 N -3.65 2.55 -0.40 0.00 1.43 0.64 -3.32 118.68 115.93 2qbi s LEU 99 Ca 0.21 -0.34 -0.13 0.00 -1.03 0.00 0.00 54.13 52.85 2qbi s LEU 99 Cb 0.03 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.75 2qbi s LEU 99 CO 0.13 0.24 0.26 -0.31 0.23 0.00 0.00 176.35 176.89 2qbi s TYR 100 N -0.09 3.25 -0.40 0.29 2.02 -0.26 -0.73 117.35 121.43 2qbi s TYR 100 Ca -0.03 -0.88 -0.05 0.00 -0.37 0.00 0.00 57.07 55.74 2qbi s TYR 100 Cb -0.14 -2.60 0.09 0.00 -0.40 0.00 0.00 41.96 38.92 2qbi s TYR 100 CO 0.04 -0.66 0.20 0.42 -1.57 0.00 0.00 175.55 173.98 2qbi s ILE 101 N 1.59 3.56 0.24 2.71 1.01 0.89 -0.33 121.20 130.86 2qbi s ILE 101 Ca 0.03 -1.77 -0.30 0.00 0.00 0.00 0.00 60.65 58.61 2qbi s ILE 101 Cb -0.20 -3.31 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 2qbi s ILE 101 CO 0.07 -0.57 1.27 0.21 0.00 0.00 0.00 174.94 175.93 2qbi s ASN 102 N 1.89 6.93 -0.52 3.58 3.04 -1.26 -1.26 114.94 127.34 2qbi s ASN 102 Ca 0.05 2.43 -0.17 0.00 0.04 0.00 0.00 52.86 55.21 2qbi s ASN 102 Cb -0.23 -2.62 0.09 0.00 -1.54 0.00 0.00 41.25 36.95 2qbi s ASN 102 CO -0.02 -0.47 0.54 -0.63 -3.04 0.00 0.00 177.10 173.49 2qbi s ILE 103 N -0.34 5.04 0.47 -5.21 1.09 -0.93 -4.58 121.20 116.74 2qbi s ILE 103 Ca 0.53 -0.96 -0.23 0.00 -1.10 0.00 0.00 60.65 58.88 2qbi s ILE 103 Cb -0.36 -4.29 -0.07 0.00 -1.06 0.00 0.00 42.46 36.68 2qbi s ILE 103 CO 0.42 -0.81 1.28 -2.16 -0.10 0.00 0.00 174.94 173.56 2qbi s PRO 104 N 2.13 3.61 0.16 2.79 0.04 -1.26 -4.85 135.00 137.62 2qbi s PRO 104 Ca 0.09 2.06 -0.34 0.00 0.04 0.00 0.00 61.00 62.85 2qbi s PRO 104 Cb -0.24 -2.47 -0.15 0.00 0.04 0.00 0.00 34.50 31.69 2qbi s PRO 104 CO 0.07 -0.76 1.38 -0.35 0.04 0.00 0.00 177.00 177.39 2qbi n PRO 105 N -0.48 1.62 -2.25 0.56 -0.04 -1.26 -4.82 135.00 128.33 2qbi n PRO 105 Ca 0.07 0.58 -0.41 0.00 -0.04 0.00 0.00 63.50 63.70 2qbi n PRO 105 Cb 0.45 -2.23 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 2qbi n PRO 105 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2qbi s LEU 106 N 0.55 4.42 0.89 1.53 2.34 -1.26 -5.00 118.68 122.15 2qbi s LEU 106 Ca 0.77 2.36 -0.10 0.00 0.06 0.00 0.00 54.13 57.22 2qbi s LEU 106 Cb -0.79 -3.61 0.13 0.00 -0.56 0.00 0.00 46.19 41.37 2qbi s LEU 106 CO 0.46 -0.51 1.14 -0.89 -1.06 0.00 0.00 176.35 175.49 2qbi s THR 107 N 0.17 2.24 0.28 5.48 2.01 -1.26 -4.83 115.64 119.72 2qbi s THR 107 Ca 0.57 0.08 0.10 0.00 0.31 0.00 0.00 61.69 62.74 2qbi s THR 107 Cb -0.36 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 69.97 2qbi s THR 107 CO 0.37 -0.10 1.63 -0.33 -0.69 0.00 0.00 174.62 175.50 2qbi h GLU 108 N -1.77 0.04 0.34 4.92 4.39 -1.97 -1.19 114.58 119.33 2qbi h GLU 108 Ca -0.43 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.22 2qbi h GLU 108 Cb 1.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2qbi h GLU 108 CO 0.43 0.62 -0.16 1.49 -1.16 0.00 0.00 179.01 180.22 2qbi h GLU 109 N 0.03 -0.44 0.00 2.33 4.57 -1.99 0.17 114.58 119.26 2qbi h GLU 109 Ca -0.01 0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 2qbi h GLU 109 Cb 1.04 0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2qbi h GLU 109 CO 0.08 -0.14 -0.09 0.00 -1.18 0.00 0.00 179.01 177.68 2qbi h ARG 110 N -0.72 0.00 -0.25 1.92 3.08 -1.93 1.00 114.38 117.48 2qbi h ARG 110 Ca -0.05 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 2qbi h ARG 110 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 2qbi h ARG 110 CO 0.08 0.09 -0.26 -0.09 -1.07 0.00 0.00 179.97 178.71 2qbi h ARG 111 N 0.00 0.61 0.08 0.04 9.65 -0.78 0.17 114.38 124.15 2qbi h ARG 111 Ca -0.00 -0.33 -0.00 0.00 -1.10 0.00 0.00 59.98 58.55 2qbi h ARG 111 Cb 0.29 0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 28.88 2qbi h ARG 111 CO 0.01 0.93 -0.09 0.87 2.80 0.00 0.00 179.97 184.49 2qbi h LYS 112 N 0.32 -0.16 -1.14 0.20 1.57 0.17 0.26 116.57 117.79 2qbi h LYS 112 Ca 0.04 0.01 0.32 0.00 -1.87 0.00 0.00 60.65 59.15 2qbi h LYS 112 Cb 0.82 0.04 -0.10 0.00 0.08 0.00 0.00 32.23 33.07 2qbi h LYS 112 CO 0.06 -0.11 0.74 -0.44 -0.57 0.00 0.00 179.45 179.14 2qbi h ASP 113 N -0.17 0.34 0.05 0.86 3.32 -1.07 -1.35 116.42 118.41 2qbi h ASP 113 Ca -0.01 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 2qbi h ASP 113 Cb 0.15 0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2qbi h ASP 113 CO -0.01 0.00 -0.02 -0.07 -1.72 0.00 0.00 179.24 177.42 2qbi h LEU 114 N 0.27 -0.05 -0.10 1.55 4.07 0.01 -1.74 115.31 119.31 2qbi h LEU 114 Ca 0.65 -0.59 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 2qbi h LEU 114 Cb 1.89 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 43.64 2qbi h LEU 114 CO -0.30 0.61 0.06 0.58 -1.08 0.00 0.00 178.44 178.31 2qbi h VAL 115 N -0.77 1.08 -0.54 1.22 2.07 -0.04 -1.85 116.25 117.43 2qbi h VAL 115 Ca -0.01 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.38 2qbi h VAL 115 Cb 0.64 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 2qbi h VAL 115 CO 0.01 0.07 0.11 0.08 0.02 0.00 0.00 177.57 177.86 2qbi h ARG 116 N 0.08 0.24 -0.92 1.57 0.11 -1.37 0.19 114.38 114.27 2qbi h ARG 116 Ca 0.04 -0.01 0.14 0.00 0.10 0.00 0.00 59.98 60.25 2qbi h ARG 116 Cb 0.07 -0.05 -0.08 0.00 1.11 0.00 0.00 29.97 31.02 2qbi h ARG 116 CO -0.01 0.16 0.59 0.00 0.10 0.00 0.00 179.97 180.81 2qbi h ALA 117 N 1.42 1.77 -0.37 0.08 0.00 -0.89 0.13 119.26 121.39 2qbi h ALA 117 Ca 0.27 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 2qbi h ALA 117 Cb 0.38 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2qbi h ALA 117 CO -0.35 -0.02 -0.18 0.28 0.00 0.00 0.00 179.25 178.98 2qbi h VAL 118 N 0.75 1.26 0.02 0.00 2.07 0.16 -1.96 116.25 118.56 2qbi h VAL 118 Ca 0.47 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 2qbi h VAL 118 Cb 0.70 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2qbi h VAL 118 CO -0.23 0.41 -0.18 0.03 0.02 0.00 0.00 177.57 177.62 2qbi h ARG 119 N 0.62 0.09 -0.90 1.57 3.08 -0.03 -2.01 114.38 116.80 2qbi h ARG 119 Ca 0.10 -0.12 0.10 0.00 0.07 0.00 0.00 59.98 60.12 2qbi h ARG 119 Cb 0.65 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.67 2qbi h ARG 119 CO 0.05 0.98 0.54 0.37 -1.07 0.00 0.00 179.97 180.84 2qbi h GLN 120 N -0.75 0.87 -0.41 0.04 5.75 -0.87 0.11 115.11 119.85 2qbi h GLN 120 Ca -0.03 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.31 2qbi h GLN 120 Cb 1.07 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 29.41 2qbi h GLN 120 CO 0.04 0.58 -0.18 1.88 -2.65 0.00 0.00 178.83 178.49 2qbi h TYR 121 N 0.90 0.97 0.28 3.99 0.05 -1.43 -1.38 116.97 120.34 2qbi h TYR 121 Ca 0.43 -0.24 -0.00 0.00 0.05 0.00 0.00 58.73 58.97 2qbi h TYR 121 Cb 0.38 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 2qbi h TYR 121 CO -0.04 1.00 -0.25 0.00 -1.05 0.00 0.00 178.16 177.82 2qbi h ALA 122 N 0.82 -0.54 0.00 3.88 0.00 -0.38 -1.15 119.26 121.89 2qbi h ALA 122 Ca 0.09 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2qbi h ALA 122 Cb 0.74 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2qbi h ALA 122 CO 0.06 -0.83 -0.00 1.49 0.00 0.00 0.00 179.25 179.97 2qbi h GLU 123 N -0.55 -0.00 -0.89 0.00 4.57 -1.06 -1.77 114.58 114.88 2qbi h GLU 123 Ca -0.01 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.31 2qbi h GLU 123 Cb 0.50 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 28.94 2qbi h GLU 123 CO -0.03 0.07 -0.36 0.93 -1.18 0.00 0.00 179.01 178.44 2qbi h GLU 124 N -0.08 -0.04 0.07 1.92 5.08 -1.08 0.18 114.58 120.63 2qbi h GLU 124 Ca -0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2qbi h GLU 124 Cb 0.08 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2qbi h GLU 124 CO 0.00 -0.03 -0.52 0.78 -1.00 0.00 0.00 179.01 178.25 2qbi h GLY 125 N -0.04 -1.09 -0.43 -3.84 0.00 -0.67 -2.04 103.07 94.97 2qbi h GLY 125 Ca 0.33 0.63 0.12 0.00 0.00 0.00 0.00 47.33 48.41 2qbi h GLY 125 CO -0.91 -0.26 -0.29 3.21 0.00 0.00 0.00 176.54 178.29 2qbi h ARG 126 N -0.71 -0.11 -0.44 4.80 3.08 0.10 -1.01 114.38 120.09 2qbi h ARG 126 Ca 0.01 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.11 2qbi h ARG 126 Cb 0.74 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.74 2qbi h ARG 126 CO -0.31 -0.07 -0.48 0.28 -1.07 0.00 0.00 179.97 178.31 2qbi h VAL 127 N -0.11 0.00 -0.50 2.04 2.07 -0.22 0.17 116.25 119.69 2qbi h VAL 127 Ca 0.27 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.85 2qbi h VAL 127 Cb 0.54 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.22 2qbi h VAL 127 CO -0.70 0.00 -0.51 0.00 0.02 0.00 0.00 177.57 176.38 2qbi h ALA 128 N -0.14 -0.61 -0.62 1.67 0.00 -0.60 -0.01 119.26 118.96 2qbi h ALA 128 Ca 0.07 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.15 2qbi h ALA 128 Cb 0.48 1.08 -0.09 0.00 0.00 0.00 0.00 17.79 19.26 2qbi h ALA 128 CO -0.56 -0.97 0.11 0.82 0.00 0.00 0.00 179.25 178.65 2qbi h ILE 129 N -0.32 0.60 0.33 0.00 2.04 -0.41 0.11 117.51 119.86 2qbi h ILE 129 Ca 0.12 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2qbi h ILE 129 Cb 0.57 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2qbi h ILE 129 CO -0.65 0.04 -0.19 0.03 0.00 0.00 0.00 178.15 177.39 2qbi h ARG 130 N 0.23 -0.47 -0.96 2.37 3.08 0.45 -1.82 114.38 117.26 2qbi h ARG 130 Ca 0.33 0.03 0.14 0.00 0.07 0.00 0.00 59.98 60.55 2qbi h ARG 130 Cb 0.51 0.11 -0.09 0.00 0.08 0.00 0.00 29.97 30.57 2qbi h ARG 130 CO -0.44 -0.31 0.58 -0.91 -1.07 0.00 0.00 179.97 177.82 2qbi h ASN 131 N -0.48 0.80 -0.54 7.04 -0.26 -0.43 0.19 115.58 121.90 2qbi h ASN 131 Ca -0.04 0.07 0.10 0.00 -0.56 0.00 0.00 56.30 55.87 2qbi h ASN 131 Cb 0.39 -0.08 -0.08 0.00 -1.06 0.00 0.00 38.32 37.48 2qbi h ASN 131 CO 0.05 0.38 0.05 0.40 -1.06 0.00 0.00 177.43 177.25 2qbi h ILE 132 N 0.85 0.62 0.36 2.81 2.04 -0.02 -0.59 117.51 123.59 2qbi h ILE 132 Ca 0.51 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 66.29 2qbi h ILE 132 Cb 0.62 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2qbi h ILE 132 CO -0.31 0.03 -0.25 -0.09 0.00 0.00 0.00 178.15 177.53 2qbi h ARG 133 N 0.17 -0.56 -0.45 2.37 2.43 0.05 -0.12 114.38 118.29 2qbi h ARG 133 Ca 0.28 0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.56 2qbi h ARG 133 Cb 0.42 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.02 2qbi h ARG 133 CO -0.41 -0.37 -0.18 -2.13 -1.51 0.00 0.00 179.97 175.37 2qbi n ARG 134 N -3.86 -0.11 0.21 0.20 0.63 -0.55 0.19 116.66 113.37 2qbi n ARG 134 Ca -0.07 0.69 -0.15 0.00 -0.92 0.00 0.00 57.85 57.40 2qbi n ARG 134 Cb 0.25 -1.02 -0.08 0.00 0.45 0.00 0.00 32.46 32.05 2qbi n ARG 134 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2qbi h GLU 135 N 0.00 -0.48 -0.69 -0.14 5.08 -0.77 -2.01 114.58 115.56 2qbi h GLU 135 Ca 0.15 0.03 0.14 0.00 -1.00 0.00 0.00 59.36 58.69 2qbi h GLU 135 Cb 0.27 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.52 2qbi h GLU 135 CO -0.44 -0.28 0.17 0.00 -1.00 0.00 0.00 179.01 177.45 2qbi h ALA 136 N 0.04 0.87 0.35 3.43 0.00 0.40 -0.74 119.26 123.61 2qbi h ALA 136 Ca -0.05 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2qbi h ALA 136 Cb 0.42 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2qbi h ALA 136 CO 0.08 -0.32 -0.23 -0.07 0.00 0.00 0.00 179.25 178.71 2qbi h LEU 137 N 0.28 -0.59 -0.32 0.00 4.07 -0.21 -0.61 115.31 117.93 2qbi h LEU 137 Ca 0.38 0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.45 2qbi h LEU 137 Cb 0.62 0.18 -0.08 0.00 1.08 0.00 0.00 40.66 42.45 2qbi h LEU 137 CO -0.47 -0.37 -0.35 0.44 -1.08 0.00 0.00 178.44 176.62 2qbi h ASP 138 N -0.57 -1.14 -1.07 -0.43 5.19 -0.60 0.57 116.42 118.37 2qbi h ASP 138 Ca -0.03 0.18 0.29 0.00 -0.62 0.00 0.00 57.03 56.85 2qbi h ASP 138 Cb 0.48 0.51 -0.08 0.00 0.18 0.00 0.00 39.33 40.42 2qbi h ASP 138 CO 0.03 -0.35 0.71 0.11 -3.12 0.00 0.00 179.24 176.62 2qbi h LYS 139 N -0.32 0.28 -0.17 3.56 1.57 -0.83 0.32 116.57 120.98 2qbi h LYS 139 Ca 0.14 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.73 2qbi h LYS 139 Cb 0.56 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.81 2qbi h LYS 139 CO -0.49 0.18 -0.57 1.25 -0.57 0.00 0.00 179.45 179.25 2qbi h LEU 140 N 0.29 0.80 -0.01 2.94 5.85 0.16 -1.91 115.31 123.43 2qbi h LEU 140 Ca 0.59 -0.60 0.02 0.00 0.84 0.00 0.00 57.88 58.73 2qbi h LEU 140 Cb 1.69 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.47 2qbi h LEU 140 CO -0.23 1.26 -0.10 0.50 -0.34 0.00 0.00 178.44 179.54 2qbi h LYS 141 N 0.39 -0.16 -0.02 1.25 3.64 0.21 0.31 116.57 122.19 2qbi h LYS 141 Ca -0.02 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2qbi h LYS 141 Cb 1.19 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2qbi h LYS 141 CO 0.12 -0.10 0.02 0.87 -2.27 0.00 0.00 179.45 178.08 2qbi h LYS 142 N -0.16 0.00 0.18 1.90 1.79 -1.12 -0.84 116.57 118.32 2qbi h LYS 142 Ca 0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2qbi h LYS 142 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 2qbi h LYS 142 CO -0.11 0.00 -0.08 -0.07 -1.08 0.00 0.00 179.45 178.11 2qbi h LEU 143 N 0.00 -0.20 -1.32 2.94 4.07 -0.30 -0.71 115.31 119.79 2qbi h LEU 143 Ca 0.01 -0.33 -0.04 0.00 0.08 0.00 0.00 57.88 57.60 2qbi h LEU 143 Cb 0.04 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 2qbi h LEU 143 CO -0.00 0.33 0.07 0.00 -1.08 0.00 0.00 178.44 177.76 2qbi h ALA 144 N -0.30 1.45 -0.09 1.53 0.00 -0.84 0.64 119.26 121.66 2qbi h ALA 144 Ca -0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.57 2qbi h ALA 144 Cb 0.52 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2qbi h ALA 144 CO 0.04 0.40 -0.62 -0.22 0.00 0.00 0.00 179.25 178.85 2qbi h LYS 145 N 0.52 0.31 0.00 0.00 3.64 -1.20 0.37 116.57 120.21 2qbi h LYS 145 Ca 0.12 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 2qbi h LYS 145 Cb 0.23 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2qbi h LYS 145 CO -0.00 0.83 -0.24 1.49 -2.27 0.00 0.00 179.45 179.26 2qbi h GLU 146 N 0.23 0.00 -0.00 1.90 4.81 -0.36 -3.36 114.58 117.80 2qbi h GLU 146 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2qbi h GLU 146 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2qbi h GLU 146 CO 0.10 0.89 -0.15 1.28 -0.73 0.00 0.00 179.01 180.40 2qbi n LEU 147 N -4.59 0.62 -2.77 1.64 4.77 0.22 -4.98 117.00 111.91 2qbi n LEU 147 Ca -0.13 -0.07 -0.03 0.00 -0.03 0.00 0.00 56.01 55.76 2qbi n LEU 147 Cb 0.47 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 2qbi n LEU 147 CO 0.28 0.12 0.20 1.41 -1.33 0.00 0.00 177.39 178.06 2qbi n HIS 148 N -0.86 -2.73 -3.70 -1.77 8.25 0.01 -5.00 115.22 109.40 2qbi n HIS 148 Ca 0.14 1.07 -0.35 0.00 -0.26 0.00 0.00 57.72 58.31 2qbi n HIS 148 Cb 0.30 -3.74 -0.08 0.00 1.12 0.00 0.00 29.99 27.59 2qbi n HIS 148 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qbi s LEU 149 N -3.19 4.19 0.49 2.41 1.43 -0.52 -5.03 118.68 118.45 2qbi s LEU 149 Ca 0.08 0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 53.19 2qbi s LEU 149 Cb -0.02 -2.11 -0.10 0.00 0.03 0.00 0.00 46.19 43.98 2qbi s LEU 149 CO 0.65 0.15 0.60 -1.54 0.23 0.00 0.00 176.35 176.44 2qbi n SER 150 N 3.71 -0.67 -0.37 2.29 3.41 -1.26 -4.39 113.62 116.33 2qbi n SER 150 Ca -0.16 0.85 0.31 0.00 -0.26 0.00 0.00 58.87 59.61 2qbi n SER 150 Cb 0.52 -1.17 0.61 0.00 -0.26 0.00 0.00 64.21 63.91 2qbi n SER 150 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2qbi h GLU 151 N 0.64 0.20 -0.30 4.33 4.81 -1.99 0.74 114.58 123.01 2qbi h GLU 151 Ca -0.43 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 58.61 2qbi h GLU 151 Cb 1.39 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.73 2qbi h GLU 151 CO 0.50 0.13 -0.51 -0.44 -0.73 0.00 0.00 179.01 177.96 2qbi h ASP 152 N 0.21 0.98 0.34 1.04 3.45 -1.99 -2.09 116.42 118.35 2qbi h ASP 152 Ca 0.66 -0.52 -0.02 0.00 0.43 0.00 0.00 57.03 57.59 2qbi h ASP 152 Cb 2.06 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 40.55 2qbi h ASP 152 CO -0.25 1.31 -0.16 -0.33 -1.57 0.00 0.00 179.24 178.24 2qbi h GLU 153 N 0.68 -0.44 0.22 3.56 5.08 0.15 -1.41 114.58 122.42 2qbi h GLU 153 Ca 0.02 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2qbi h GLU 153 Cb 1.12 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2qbi h GLU 153 CO 0.12 -0.18 -0.19 0.00 -1.00 0.00 0.00 179.01 177.75 2qbi h THR 154 N -0.63 0.59 -0.78 1.13 1.03 -1.26 -0.78 112.91 112.21 2qbi h THR 154 Ca -0.05 0.00 0.11 0.00 -0.01 0.00 0.00 66.41 66.46 2qbi h THR 154 Cb 0.45 0.59 -0.08 0.00 -1.07 0.00 0.00 68.15 68.05 2qbi h THR 154 CO 0.08 0.00 0.41 0.11 -0.01 0.00 0.00 175.52 176.10 2qbi h LYS 155 N -0.43 0.64 -0.74 0.00 1.79 -1.43 0.14 116.57 116.55 2qbi h LYS 155 Ca -0.01 -0.04 0.08 0.00 -2.18 0.00 0.00 60.65 58.50 2qbi h LYS 155 Cb 0.39 -0.15 -0.07 0.00 -1.58 0.00 0.00 32.23 30.83 2qbi h LYS 155 CO -0.02 0.43 0.41 -0.09 -1.08 0.00 0.00 179.45 179.09 2qbi h ARG 156 N 0.66 0.69 -0.40 3.15 9.65 -0.76 -0.12 114.38 127.26 2qbi h ARG 156 Ca 0.39 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 59.25 2qbi h ARG 156 Cb 0.43 -0.16 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 2qbi h ARG 156 CO -0.29 0.46 0.23 0.00 2.80 0.00 0.00 179.97 183.17 2qbi h ALA 157 N 1.41 0.50 -0.17 2.80 0.00 0.69 -1.95 119.26 122.54 2qbi h ALA 157 Ca 0.35 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.30 2qbi h ALA 157 Cb 0.29 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2qbi h ALA 157 CO -0.23 -0.11 -0.16 0.93 0.00 0.00 0.00 179.25 179.69 2qbi h GLU 158 N 0.46 -0.17 -0.57 0.00 5.08 0.30 -0.81 114.58 118.88 2qbi h GLU 158 Ca 0.16 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.65 2qbi h GLU 158 Cb 0.02 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.20 2qbi h GLU 158 CO -0.08 -0.11 -0.11 0.00 -1.00 0.00 0.00 179.01 177.71 2qbi h ALA 159 N 0.92 0.42 -0.34 3.43 0.00 -0.54 0.28 119.26 123.43 2qbi h ALA 159 Ca 0.11 0.21 0.04 0.00 0.00 0.00 0.00 54.91 55.27 2qbi h ALA 159 Cb 0.34 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2qbi h ALA 159 CO -0.28 -0.43 0.13 1.49 0.00 0.00 0.00 179.25 180.16 2qbi h GLU 160 N 0.03 0.27 0.05 0.00 4.57 -0.60 -1.62 114.58 117.27 2qbi h GLU 160 Ca 0.28 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.45 2qbi h GLU 160 Cb 0.43 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 2qbi h GLU 160 CO -0.56 0.18 -0.16 0.82 -1.18 0.00 0.00 179.01 178.10 2qbi h ILE 161 N 0.28 0.00 -0.94 2.32 1.08 0.40 -1.79 117.51 118.85 2qbi h ILE 161 Ca 0.15 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.90 2qbi h ILE 161 Cb 0.12 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.71 2qbi h ILE 161 CO -0.15 0.00 0.29 -0.61 -0.69 0.00 0.00 178.15 176.99 2qbi h GLN 162 N -0.24 0.15 -0.06 2.37 5.75 -1.07 0.19 115.11 122.21 2qbi h GLN 162 Ca -0.00 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.53 2qbi h GLN 162 Cb 0.24 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.69 2qbi h GLN 162 CO -0.08 0.10 -0.31 -0.22 -2.65 0.00 0.00 178.83 175.67 2qbi h LYS 163 N 0.16 -0.41 0.25 1.69 3.64 -0.53 0.16 116.57 121.53 2qbi h LYS 163 Ca 0.63 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 60.05 2qbi h LYS 163 Cb 1.38 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 33.26 2qbi h LYS 163 CO -0.72 -0.27 -0.48 0.82 -2.27 0.00 0.00 179.45 176.53 2qbi h ILE 164 N -0.43 0.07 -0.49 2.00 2.04 0.15 -1.68 117.51 119.18 2qbi h ILE 164 Ca 0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.02 2qbi h ILE 164 Cb 0.54 0.07 -0.10 0.00 -0.74 0.00 0.00 36.82 36.59 2qbi h ILE 164 CO -0.30 0.00 -0.39 0.74 0.00 0.00 0.00 178.15 178.20 2qbi h THR 165 N -0.80 0.14 -0.70 -0.27 2.02 -1.04 -0.83 112.91 111.43 2qbi h THR 165 Ca -0.01 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.30 2qbi h THR 165 Cb 0.77 0.14 -0.09 0.00 -1.74 0.00 0.00 68.15 67.22 2qbi h THR 165 CO -0.20 0.00 0.24 0.44 0.37 0.00 0.00 175.52 176.38 2qbi h ASP 166 N -0.25 0.19 0.80 4.18 3.32 -0.36 -1.02 116.42 123.28 2qbi h ASP 166 Ca 0.18 0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.30 2qbi h ASP 166 Cb 0.56 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2qbi h ASP 166 CO -0.62 0.07 -0.42 -0.33 -1.72 0.00 0.00 179.24 176.22 2qbi h GLU 167 N 0.38 -1.08 -0.56 3.56 5.08 -0.23 -1.99 114.58 119.74 2qbi h GLU 167 Ca 0.38 0.07 0.11 0.00 -1.00 0.00 0.00 59.36 58.93 2qbi h GLU 167 Cb 0.57 0.25 -0.09 0.00 0.50 0.00 0.00 28.75 29.97 2qbi h GLU 167 CO -0.40 -0.72 0.00 0.74 -1.00 0.00 0.00 179.01 177.63 2qbi h PHE 168 N -1.12 -0.03 -1.00 4.33 -1.00 -0.91 0.52 116.94 117.72 2qbi h PHE 168 Ca -0.11 0.04 0.21 0.00 2.81 0.00 0.00 57.97 60.93 2qbi h PHE 168 Cb 0.88 0.10 -0.11 0.00 3.61 0.00 0.00 35.95 40.43 2qbi h PHE 168 CO -0.04 -0.14 0.61 0.82 -1.61 0.00 0.00 178.31 177.95 2qbi h ILE 169 N 0.12 0.64 -0.75 -0.55 1.08 -1.08 0.53 117.51 117.50 2qbi h ILE 169 Ca 0.29 -0.23 -0.01 0.00 -0.39 0.00 0.00 64.86 64.51 2qbi h ILE 169 Cb 0.45 -0.10 -0.04 0.00 -3.07 0.00 0.00 36.82 34.06 2qbi h ILE 169 CO -0.47 0.12 0.42 0.00 -0.69 0.00 0.00 178.15 177.53 2qbi h ALA 170 N 1.68 0.96 -0.28 1.87 0.00 0.77 0.11 119.26 124.36 2qbi h ALA 170 Ca 0.60 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 2qbi h ALA 170 Cb 1.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2qbi h ALA 170 CO -0.41 0.46 0.10 -0.22 0.00 0.00 0.00 179.25 179.18 2qbi h LYS 171 N 1.03 0.44 -0.25 0.00 3.11 0.13 -0.65 116.57 120.38 2qbi h LYS 171 Ca 0.27 -0.09 -0.05 0.00 -2.81 0.00 0.00 60.65 57.97 2qbi h LYS 171 Cb 0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.17 2qbi h LYS 171 CO -0.04 0.49 -0.05 0.00 -2.81 0.00 0.00 179.45 177.03 2qbi h ALA 172 N 0.93 1.44 0.03 5.00 0.00 -0.65 -1.37 119.26 124.65 2qbi h ALA 172 Ca 0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qbi h ALA 172 Cb 0.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qbi h ALA 172 CO -0.00 0.39 -0.02 -0.44 0.00 0.00 0.00 179.25 179.18 2qbi h ASP 173 N 0.38 -0.04 0.99 0.00 3.32 -0.26 -1.92 116.42 118.89 2qbi h ASP 173 Ca 0.08 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.86 2qbi h ASP 173 Cb 0.34 0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.91 2qbi h ASP 173 CO 0.01 0.20 -0.48 -0.61 -1.72 0.00 0.00 179.24 176.65 2qbi h GLN 174 N -0.28 -1.29 -0.89 3.56 4.15 -0.82 -0.21 115.11 119.33 2qbi h GLN 174 Ca -0.00 0.09 0.22 0.00 0.77 0.00 0.00 58.65 59.73 2qbi h GLN 174 Cb 0.26 0.29 -0.16 0.00 0.21 0.00 0.00 27.48 28.08 2qbi h GLN 174 CO 0.01 -0.86 0.01 -0.07 -1.93 0.00 0.00 178.83 175.98 2qbi h LEU 175 N -1.34 -0.44 -0.75 -2.39 4.07 -1.32 0.50 115.31 113.65 2qbi h LEU 175 Ca -0.14 0.24 -0.07 0.00 0.08 0.00 0.00 57.88 57.99 2qbi h LEU 175 Cb 1.02 0.43 -0.03 0.00 1.08 0.00 0.00 40.66 43.17 2qbi h LEU 175 CO 0.22 -0.27 0.12 0.00 -1.08 0.00 0.00 178.44 177.43 2qbi h ALA 176 N 1.86 0.97 -0.01 1.53 0.00 -1.12 -1.01 119.26 121.48 2qbi h ALA 176 Ca 0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 2qbi h ALA 176 Cb 0.97 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2qbi h ALA 176 CO -0.81 0.65 -0.01 1.49 0.00 0.00 0.00 179.25 180.56 2qbi h GLU 177 N 1.00 0.03 -0.05 0.00 4.22 0.17 -1.74 114.58 118.21 2qbi h GLU 177 Ca 0.20 -0.02 -0.00 0.00 0.08 0.00 0.00 59.36 59.62 2qbi h GLU 177 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2qbi h GLU 177 CO 0.01 0.49 0.02 0.87 -2.18 0.00 0.00 179.01 178.22 2qbi h LYS 178 N -0.43 0.07 -0.76 1.92 1.57 -0.50 -1.15 116.57 117.30 2qbi h LYS 178 Ca 0.00 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.90 2qbi h LYS 178 Cb 0.49 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.70 2qbi h LYS 178 CO 0.00 0.23 0.33 -0.22 -0.57 0.00 0.00 179.45 179.23 2qbi h LYS 179 N -0.10 0.49 -0.21 3.15 1.63 -1.26 -1.10 116.57 119.17 2qbi h LYS 179 Ca 0.02 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2qbi h LYS 179 Cb 0.19 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 2qbi h LYS 179 CO -0.00 0.32 0.13 1.49 -3.45 0.00 0.00 179.45 177.94 2qbi h GLU 180 N 0.50 0.26 -0.82 1.90 4.81 -0.94 -1.70 114.58 118.60 2qbi h GLU 180 Ca 0.41 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.71 2qbi h GLU 180 Cb 0.58 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.83 2qbi h GLU 180 CO -0.37 0.17 0.48 1.96 -0.73 0.00 0.00 179.01 180.52 2qbi h GLN 181 N 0.27 0.79 -0.28 1.92 4.20 -0.03 0.27 115.11 122.25 2qbi h GLN 181 Ca 0.08 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.77 2qbi h GLN 181 Cb -0.02 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.55 2qbi h GLN 181 CO -0.03 0.52 0.09 0.93 -0.67 0.00 0.00 178.83 179.68 2qbi h GLU 182 N 0.81 0.21 0.00 1.46 5.08 -0.69 0.17 114.58 121.62 2qbi h GLU 182 Ca 0.39 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.72 2qbi h GLU 182 Cb 0.33 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2qbi h GLU 182 CO -0.24 0.14 -0.11 0.82 -1.00 0.00 0.00 179.01 178.62 2qbi h ILE 183 N 0.22 0.54 -0.51 3.13 2.04 -0.15 0.56 117.51 123.33 2qbi h ILE 183 Ca 0.12 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2qbi h ILE 183 Cb 0.09 1.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 2qbi h ILE 183 CO -0.13 0.11 0.00 0.18 0.00 0.00 0.00 178.15 178.31 2qbi n LEU 184 N -3.62 4.99 0.00 1.44 4.77 0.78 -4.15 117.00 121.21 2qbi n LEU 184 Ca -0.02 -2.80 0.00 0.00 -0.03 0.00 0.00 56.01 53.16 2qbi n LEU 184 Cb 0.24 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2qbi n LEU 184 CO 0.30 0.69 0.14 0.61 -1.33 0.00 0.00 177.39 177.79