#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbe s THR 2 N 0.00 1.23 0.18 2.03 -4.23 -1.26 -5.01 115.64 108.58 2qbe s THR 2 Ca 0.00 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.34 2qbe s THR 2 Cb 0.00 -2.76 0.12 0.00 1.34 0.00 0.00 72.50 71.20 2qbe s THR 2 CO 0.00 0.00 1.65 -0.07 -0.54 0.00 0.00 174.62 175.66 2qbe h LEU 3 N 2.02 -0.53 -0.52 4.79 4.07 -1.99 0.13 115.31 123.26 2qbe h LEU 3 Ca -0.41 0.15 -0.03 0.00 0.08 0.00 0.00 57.88 57.67 2qbe h LEU 3 Cb 1.25 0.32 -0.02 0.00 1.08 0.00 0.00 40.66 43.29 2qbe h LEU 3 CO 0.70 -0.19 0.22 0.11 -1.08 0.00 0.00 178.44 178.20 2qbe h LYS 4 N -0.05 0.78 0.00 1.13 1.57 -1.99 0.20 116.57 118.21 2qbe h LYS 4 Ca 0.22 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2qbe h LYS 4 Cb 0.38 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2qbe h LYS 4 CO -0.48 0.68 -0.07 0.93 -0.57 0.00 0.00 179.45 179.93 2qbe h GLU 5 N 0.71 0.00 -0.00 3.15 5.08 -1.71 0.43 114.58 122.23 2qbe h GLU 5 Ca 0.18 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2qbe h GLU 5 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2qbe h GLU 5 CO -0.02 0.07 -0.01 1.25 -1.00 0.00 0.00 179.01 179.31 2qbe h LEU 6 N 0.00 0.01 -0.54 1.33 6.46 0.13 -2.17 115.31 120.53 2qbe h LEU 6 Ca -0.00 -0.69 0.09 0.00 -0.12 0.00 0.00 57.88 57.16 2qbe h LEU 6 Cb 0.15 -0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.01 2qbe h LEU 6 CO 0.01 0.70 0.15 1.88 -0.62 0.00 0.00 178.44 180.55 2qbe h TYR 7 N -0.67 0.25 0.08 1.25 0.05 -0.12 -1.08 116.97 116.73 2qbe h TYR 7 Ca -0.00 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.83 2qbe h TYR 7 Cb 0.70 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 38.37 2qbe h TYR 7 CO 0.17 0.03 -0.26 0.00 -1.05 0.00 0.00 178.16 177.05 2qbe h ALA 8 N 1.40 -0.41 -0.95 3.88 0.00 -0.96 -0.24 119.26 121.97 2qbe h ALA 8 Ca 0.27 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.36 2qbe h ALA 8 Cb 0.35 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 18.46 2qbe h ALA 8 CO -0.32 -0.79 0.53 1.49 0.00 0.00 0.00 179.25 180.17 2qbe h GLU 9 N -0.45 0.59 0.12 0.00 4.81 -0.66 0.11 114.58 119.10 2qbe h GLU 9 Ca 0.04 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2qbe h GLU 9 Cb 0.49 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2qbe h GLU 9 CO -0.18 0.39 -0.06 1.15 -0.73 0.00 0.00 179.01 179.58 2qbe h THR 10 N 0.60 0.92 -0.38 0.32 2.02 0.05 -1.61 112.91 114.84 2qbe h THR 10 Ca 0.58 -0.16 0.03 0.00 0.77 0.00 0.00 66.41 67.62 2qbe h THR 10 Cb 1.00 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.40 2qbe h THR 10 CO -0.44 0.04 0.19 -0.09 0.37 0.00 0.00 175.52 175.59 2qbe h ARG 11 N -0.24 0.38 0.17 6.66 2.43 0.56 -1.43 114.38 122.90 2qbe h ARG 11 Ca -0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2qbe h ARG 11 Cb 0.19 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2qbe h ARG 11 CO 0.03 0.25 -0.10 1.03 -1.51 0.00 0.00 179.97 179.67 2qbe h SER 12 N 0.39 -0.26 -0.66 -3.80 0.87 -0.73 0.62 113.55 109.98 2qbe h SER 12 Ca 0.16 0.01 0.14 0.00 -1.23 0.00 0.00 61.79 60.87 2qbe h SER 12 Cb 0.06 0.07 -0.11 0.00 -0.44 0.00 0.00 62.40 61.98 2qbe h SER 12 CO -0.10 -0.16 -0.00 0.45 -0.53 0.00 0.00 176.83 176.49 2qbe h HIS 13 N -0.25 -0.05 0.00 2.24 3.86 -1.33 0.42 115.15 120.03 2qbe h HIS 13 Ca -0.02 0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.21 2qbe h HIS 13 Cb 0.20 0.13 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 2qbe h HIS 13 CO 0.07 -0.19 -0.13 0.52 0.86 0.00 0.00 177.93 179.06 2qbe h MET 14 N 0.11 0.00 -0.14 2.45 2.07 -1.23 -0.79 114.93 117.40 2qbe h MET 14 Ca 0.35 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 57.85 2qbe h MET 14 Cb 0.58 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.32 2qbe h MET 14 CO -0.58 0.13 -0.41 0.37 1.07 0.00 0.00 176.91 177.49 2qbe h GLN 15 N 0.00 0.52 0.17 1.72 5.75 0.21 -1.64 115.11 121.84 2qbe h GLN 15 Ca -0.00 -0.38 0.01 0.00 -0.15 0.00 0.00 58.65 58.13 2qbe h GLN 15 Cb 0.23 0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 2qbe h GLN 15 CO 0.02 1.00 -0.28 0.87 -2.65 0.00 0.00 178.83 177.79 2qbe h LYS 16 N 0.14 -0.51 -0.67 1.69 6.56 -0.10 0.12 116.57 123.81 2qbe h LYS 16 Ca -0.01 0.03 0.11 0.00 -1.06 0.00 0.00 60.65 59.72 2qbe h LYS 16 Cb 1.03 0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 32.77 2qbe h LYS 16 CO 0.09 -0.34 0.44 0.66 -2.06 0.00 0.00 179.45 178.25 2qbe h SER 17 N -0.52 0.42 -0.40 0.86 4.64 -1.18 0.14 113.55 117.51 2qbe h SER 17 Ca 0.02 0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 2qbe h SER 17 Cb 0.53 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.53 2qbe h SER 17 CO -0.13 0.25 -0.17 0.25 -0.87 0.00 0.00 176.83 176.16 2qbe h LEU 18 N 0.47 0.84 -0.53 5.97 5.85 -0.25 -1.50 115.31 126.17 2qbe h LEU 18 Ca 0.31 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2qbe h LEU 18 Cb 0.59 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2qbe h LEU 18 CO -0.10 1.05 0.25 -0.33 -0.34 0.00 0.00 178.44 178.97 2qbe h GLU 19 N 0.64 0.77 -0.24 1.25 5.08 0.11 1.07 114.58 123.25 2qbe h GLU 19 Ca 0.09 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2qbe h GLU 19 Cb 0.72 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 2qbe h GLU 19 CO 0.05 0.64 -0.24 0.28 -1.00 0.00 0.00 179.01 178.74 2qbe h VAL 20 N 0.71 0.39 -0.78 3.13 2.07 -0.60 0.16 116.25 121.33 2qbe h VAL 20 Ca 0.18 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 2qbe h VAL 20 Cb 0.13 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2qbe h VAL 20 CO -0.02 0.00 0.47 0.25 0.02 0.00 0.00 177.57 178.29 2qbe h LEU 21 N -0.25 0.94 0.00 2.57 5.85 -0.65 -1.34 115.31 122.43 2qbe h LEU 21 Ca 0.14 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2qbe h LEU 21 Cb 0.46 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.25 2qbe h LEU 21 CO -0.38 0.73 0.00 1.21 -0.34 0.00 0.00 178.44 179.66 2qbe n GLU 22 N -4.48 0.00 0.30 1.25 4.07 0.36 0.16 120.64 122.31 2qbe n GLU 22 Ca 0.08 0.39 0.20 0.00 -0.06 0.00 0.00 57.16 57.77 2qbe n GLU 22 Cb 0.06 -1.03 1.00 0.00 -0.06 0.00 0.00 31.44 31.41 2qbe n GLU 22 CO 0.00 0.00 0.00 1.12 -0.06 0.00 0.00 177.13 178.19 2qbe h HIS 23 N 0.00 0.00 -0.44 4.31 2.07 -1.40 0.23 115.15 119.93 2qbe h HIS 23 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 2qbe h HIS 23 Cb 0.00 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 29.96 2qbe h HIS 23 CO -0.03 0.00 0.19 -0.97 -3.07 0.00 0.00 177.93 174.04 2qbe h ASN 24 N 0.00 0.59 -0.25 3.10 -0.00 -0.49 0.25 115.58 118.78 2qbe h ASN 24 Ca 0.00 -0.16 -0.02 0.00 -0.00 0.00 0.00 56.30 56.13 2qbe h ASN 24 Cb 0.15 -0.15 -0.01 0.00 -0.00 0.00 0.00 38.32 38.31 2qbe h ASN 24 CO 0.00 0.58 0.09 -0.07 -0.00 0.00 0.00 177.43 178.04 2qbe h LEU 25 N 0.56 0.35 -2.35 0.34 3.38 0.18 -2.46 115.31 115.32 2qbe h LEU 25 Ca 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2qbe h LEU 25 Cb 0.17 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2qbe h LEU 25 CO -0.01 0.43 -0.03 0.00 0.09 0.00 0.00 178.44 178.92 2qbe h ALA 26 N 0.93 1.45 0.00 1.53 0.00 -0.80 -2.70 119.26 119.68 2qbe h ALA 26 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qbe h ALA 26 Cb 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2qbe h ALA 26 CO -0.01 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.69 2qbe n GLY 27 N -1.16 1.64 2.77 0.00 0.00 0.82 -4.67 105.19 104.59 2qbe n GLY 27 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 2qbe n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbe s LEU 28 N 0.00 0.63 -0.68 0.99 1.02 -1.02 -5.06 118.68 114.56 2qbe s LEU 28 Ca 0.00 -0.12 -0.26 0.00 0.02 0.00 0.00 54.13 53.76 2qbe s LEU 28 Cb 0.00 -0.46 -0.13 0.00 0.02 0.00 0.00 46.19 45.62 2qbe s LEU 28 CO 0.00 -0.20 2.47 0.54 0.02 0.00 0.00 176.35 179.19 2qbe n ARG 29 N 5.14 0.67 0.00 1.70 1.74 -1.26 -4.89 116.66 119.75 2qbe n ARG 29 Ca -0.07 -0.12 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 2qbe n ARG 29 Cb 0.50 -2.88 0.00 0.00 -1.02 0.00 0.00 32.46 29.06 2qbe n ARG 29 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2qbe n THR 30 N 7.85 0.00 0.99 0.55 -2.24 -1.26 -4.82 114.28 115.36 2qbe n THR 30 Ca 0.47 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.28 2qbe n THR 30 Cb 0.38 -0.63 0.17 0.00 -2.10 0.00 0.00 70.33 68.15 2qbe n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qbe n GLY 31 N 5.00 -0.50 1.26 3.38 0.00 -1.26 -4.77 105.19 108.30 2qbe n GLY 31 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 2qbe n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbe n ARG 32 N -0.68 -1.34 0.07 1.61 1.74 -1.26 -4.68 116.66 112.13 2qbe n ARG 32 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2qbe n ARG 32 Cb 0.02 -4.09 0.31 0.00 -1.02 0.00 0.00 32.46 27.69 2qbe n ARG 32 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qbe h ALA 33 N 1.83 1.35 -2.04 7.54 0.00 -1.86 -3.44 119.26 122.63 2qbe h ALA 33 Ca -0.00 -0.26 -0.50 0.00 0.00 0.00 0.00 54.91 54.15 2qbe h ALA 33 Cb 0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2qbe h ALA 33 CO 0.00 0.44 -0.49 0.54 0.00 0.00 0.00 179.25 179.74 2qbe s ASN 34 N -6.84 5.41 0.00 0.00 2.20 -1.26 -4.50 114.94 109.95 2qbe s ASN 34 Ca -0.06 -0.36 0.00 0.00 -0.94 0.00 0.00 52.86 51.50 2qbe s ASN 34 Cb 0.15 -1.21 0.00 0.00 -2.00 0.00 0.00 41.25 38.19 2qbe s ASN 34 CO 0.75 -0.18 0.95 -0.81 -2.94 0.00 0.00 177.10 174.88 2qbe n PRO 35 N -1.27 0.97 0.11 3.55 -0.04 -1.26 -3.77 135.00 133.29 2qbe n PRO 35 Ca -0.05 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.51 2qbe n PRO 35 Cb 0.59 -1.02 0.45 0.00 -0.04 0.00 0.00 33.50 33.48 2qbe n PRO 35 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qbe n ALA 36 N -0.48 1.39 -0.10 0.55 0.00 -1.26 -0.24 120.51 120.37 2qbe n ALA 36 Ca 0.00 0.10 -0.18 0.00 0.00 0.00 0.00 53.44 53.36 2qbe n ALA 36 Cb 0.01 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.03 2qbe n ALA 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qbe n LEU 37 N -2.08 2.77 0.11 0.00 4.32 -1.25 -4.42 117.00 116.45 2qbe n LEU 37 Ca 0.01 -0.05 0.12 0.00 -0.02 0.00 0.00 56.01 56.07 2qbe n LEU 37 Cb 0.13 -0.89 0.22 0.00 -1.62 0.00 0.00 43.42 41.27 2qbe n LEU 37 CO 0.14 0.90 0.56 -0.07 -1.22 0.00 0.00 177.39 177.69 2qbe h LEU 38 N 0.02 0.00 -1.43 2.23 3.38 -1.73 -3.37 115.31 114.40 2qbe h LEU 38 Ca -0.54 -0.08 0.47 0.00 0.09 0.00 0.00 57.88 57.81 2qbe h LEU 38 Cb 1.94 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 42.56 2qbe h LEU 38 CO -0.05 0.04 0.90 0.17 0.09 0.00 0.00 178.44 179.59 2qbe h LEU 39 N 0.00 0.21 0.14 1.67 8.10 -0.82 -1.66 115.31 122.95 2qbe h LEU 39 Ca 0.00 0.14 -0.01 0.00 0.11 0.00 0.00 57.88 58.12 2qbe h LEU 39 Cb 0.82 0.14 0.00 0.00 -0.44 0.00 0.00 40.66 41.18 2qbe h LEU 39 CO 0.00 -0.22 -0.07 0.45 -4.11 0.00 0.00 178.44 174.49 2qbe h HIS 40 N 0.04 -0.18 0.00 0.17 3.86 -1.86 -3.45 115.15 113.73 2qbe h HIS 40 Ca 0.86 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 60.07 2qbe h HIS 40 Cb 2.77 0.06 0.00 0.00 1.06 0.00 0.00 27.41 31.30 2qbe h HIS 40 CO -0.01 0.01 0.00 1.28 0.86 0.00 0.00 177.93 180.08 2qbe n LEU 41 N -4.89 0.00 -4.79 2.43 4.32 -0.63 -4.35 117.00 109.09 2qbe n LEU 41 Ca -0.04 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.60 2qbe n LEU 41 Cb 0.14 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.90 2qbe n LEU 41 CO 0.11 0.00 0.73 -0.54 -1.22 0.00 0.00 177.39 176.47 2qbe s LYS 42 N 0.00 3.83 -0.57 3.23 1.02 -1.26 -2.98 119.74 123.00 2qbe s LYS 42 Ca 0.00 1.43 -0.02 0.00 0.02 0.00 0.00 55.97 57.41 2qbe s LYS 42 Cb 0.00 -2.19 0.15 0.00 -0.52 0.00 0.00 37.83 35.27 2qbe s LYS 42 CO 0.00 -0.42 0.37 0.08 -0.92 0.00 0.00 175.35 174.46 2qbe s VAL 43 N -1.88 3.44 -0.40 3.17 1.01 0.14 -4.76 120.40 121.12 2qbe s VAL 43 Ca 0.66 -2.88 -0.29 0.00 0.00 0.00 0.00 61.98 59.46 2qbe s VAL 43 Cb -0.19 -3.28 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 2qbe s VAL 43 CO 0.23 -0.83 2.32 1.21 0.00 0.00 0.00 175.10 178.02 2qbe n GLU 44 N 3.59 1.28 -3.76 2.72 4.07 -1.26 -3.03 120.64 124.26 2qbe n GLU 44 Ca 0.06 0.25 -0.13 0.00 -0.06 0.00 0.00 57.16 57.28 2qbe n GLU 44 Cb 0.37 -2.99 -0.11 0.00 -0.06 0.00 0.00 31.44 28.66 2qbe n GLU 44 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 2qbe s TYR 45 N 9.47 -0.37 -0.99 4.31 6.14 0.33 -4.86 117.35 131.38 2qbe s TYR 45 Ca 1.05 0.91 -0.03 0.00 0.64 0.00 0.00 57.07 59.64 2qbe s TYR 45 Cb -0.48 0.13 -0.03 0.00 0.42 0.00 0.00 41.96 42.00 2qbe s TYR 45 CO 0.37 -0.18 0.85 0.66 0.64 0.00 0.00 175.55 177.88 2qbe n TYR 46 N 2.95 -2.07 -1.64 4.97 0.53 -1.26 -2.58 117.16 118.06 2qbe n TYR 46 Ca -0.13 0.79 -0.17 0.00 -1.02 0.00 0.00 57.90 57.37 2qbe n TYR 46 Cb 0.58 -4.31 -0.06 0.00 -1.03 0.00 0.00 39.34 34.52 2qbe n TYR 46 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2qbe n GLY 47 N -1.19 1.22 3.27 2.72 0.00 -1.26 -4.93 105.19 105.02 2qbe n GLY 47 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 2qbe n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbe s ALA 48 N -2.47 -1.04 0.00 4.61 0.00 -1.07 -5.01 121.76 116.79 2qbe s ALA 48 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.44 2qbe s ALA 48 Cb 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2qbe s ALA 48 CO 0.00 -0.26 0.54 0.72 0.00 0.00 0.00 175.76 176.77 2qbe n HIS 49 N 4.11 0.00 -1.37 0.00 8.25 -1.26 0.12 115.22 125.07 2qbe n HIS 49 Ca -0.22 -0.27 -0.62 0.00 -0.26 0.00 0.00 57.72 56.35 2qbe n HIS 49 Cb 0.55 -0.22 -0.11 0.00 1.12 0.00 0.00 29.99 31.33 2qbe n HIS 49 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2qbe n VAL 50 N 1.07 0.01 -0.98 1.59 0.24 -1.17 -3.06 118.33 116.03 2qbe n VAL 50 Ca 0.00 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 2qbe n VAL 50 Cb 0.21 -0.53 0.14 0.00 -1.47 0.00 0.00 33.84 32.19 2qbe n VAL 50 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2qbe s PRO 51 N 5.31 1.42 0.00 7.34 0.04 -1.26 0.24 135.00 148.08 2qbe s PRO 51 Ca 1.16 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.92 2qbe s PRO 51 Cb -1.48 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 31.30 2qbe s PRO 51 CO 0.69 -2.37 0.14 -0.11 0.04 0.00 0.00 177.00 175.40 2qbe n LEU 52 N -3.59 0.00 0.09 -3.56 7.94 -1.16 -2.75 117.00 113.98 2qbe n LEU 52 Ca 0.13 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.99 2qbe n LEU 52 Cb 0.51 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.61 2qbe n LEU 52 CO 0.48 0.00 0.52 -0.55 -1.11 0.00 0.00 177.39 176.74 2qbe h ASN 53 N 0.00 0.24 0.00 1.96 -1.07 -1.86 -3.36 115.58 111.49 2qbe h ASN 53 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 56.30 56.24 2qbe h ASN 53 Cb 0.00 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 36.18 2qbe h ASN 53 CO 0.00 0.74 -0.11 0.00 0.07 0.00 0.00 177.43 178.13 2qbe n GLN 54 N -3.91 0.51 0.00 4.14 6.02 -1.11 -5.01 117.38 118.03 2qbe n GLN 54 Ca -0.02 -0.88 0.00 0.00 -0.01 0.00 0.00 57.00 56.09 2qbe n GLN 54 Cb 0.58 -0.63 0.00 0.00 1.02 0.00 0.00 30.24 31.21 2qbe n GLN 54 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 2qbe n ILE 55 N -0.16 0.00 -1.53 5.09 0.13 -1.24 -5.10 119.36 116.56 2qbe n ILE 55 Ca 0.01 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.66 2qbe n ILE 55 Cb 0.52 -0.03 0.00 0.00 -0.84 0.00 0.00 39.64 39.29 2qbe n ILE 55 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2qbe n ALA 56 N -3.00 0.00 -3.17 1.51 0.00 -1.26 -4.50 120.51 110.08 2qbe n ALA 56 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2qbe n ALA 56 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2qbe n ALA 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2qbe s THR 57 N 0.09 0.07 0.28 0.00 2.01 -1.05 -4.67 115.64 112.37 2qbe s THR 57 Ca 0.00 -0.56 -0.12 0.00 0.31 0.00 0.00 61.69 61.33 2qbe s THR 57 Cb 0.00 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.89 2qbe s THR 57 CO 0.00 -0.31 0.52 -0.69 -0.69 0.00 0.00 174.62 173.45 2qbe s VAL 58 N -1.51 0.00 0.00 3.82 1.01 -1.26 0.13 120.40 122.58 2qbe s VAL 58 Ca -0.13 -1.39 0.00 0.00 0.00 0.00 0.00 61.98 60.47 2qbe s VAL 58 Cb -0.05 -2.33 0.00 0.00 0.00 0.00 0.00 36.38 34.00 2qbe s VAL 58 CO 0.03 0.00 0.00 1.07 0.00 0.00 0.00 175.10 176.20 2qbe n THR 59 N -0.43 0.00 -3.73 3.92 5.66 -0.38 -4.85 114.28 114.47 2qbe n THR 59 Ca -0.02 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.60 2qbe n THR 59 Cb 0.61 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.28 2qbe n THR 59 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2qbe s ALA 60 N -2.00 3.12 0.25 1.79 0.00 -1.26 0.34 121.76 124.00 2qbe s ALA 60 Ca 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 51.96 49.92 2qbe s ALA 60 Cb 0.00 -2.38 0.48 0.00 0.00 0.00 0.00 23.12 21.22 2qbe s ALA 60 CO 0.00 -1.51 1.72 -1.35 0.00 0.00 0.00 175.76 174.62 2qbe h PRO 61 N 8.23 0.40 -3.94 0.00 0.11 -1.70 -3.44 132.00 131.66 2qbe h PRO 61 Ca -0.21 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.76 2qbe h PRO 61 Cb 1.07 -0.09 -0.12 0.00 0.11 0.00 0.00 31.00 31.97 2qbe h PRO 61 CO 0.66 0.27 -0.32 0.16 -0.21 0.00 0.00 178.00 178.55 2qbe s ASP 62 N -5.31 0.03 0.35 -2.05 -4.77 -1.17 -5.03 116.67 98.71 2qbe s ASP 62 Ca -0.12 -0.96 0.14 0.00 -3.30 0.00 0.00 52.55 48.30 2qbe s ASP 62 Cb 0.21 0.46 0.76 0.00 -1.09 0.00 0.00 42.92 43.27 2qbe s ASP 62 CO 0.76 -0.94 1.33 -0.65 0.70 0.00 0.00 175.17 176.38 2qbe h PRO 63 N 2.49 0.00 -0.25 2.11 0.11 -1.85 -0.74 132.00 133.87 2qbe h PRO 63 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2qbe h PRO 63 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qbe h PRO 63 CO 0.46 0.00 0.00 -2.13 -0.21 0.00 0.00 178.00 176.12 2qbe n ARG 64 N -2.11 2.80 -3.62 1.05 3.00 -1.26 -4.33 116.66 112.20 2qbe n ARG 64 Ca -0.01 -2.68 -0.06 0.00 -0.00 0.00 0.00 57.85 55.10 2qbe n ARG 64 Cb 0.33 -1.72 -0.05 0.00 0.00 0.00 0.00 32.46 31.02 2qbe n ARG 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2qbe s THR 65 N -2.53 0.00 0.32 5.15 2.01 -0.28 0.27 115.64 120.58 2qbe s THR 65 Ca 0.38 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.46 2qbe s THR 65 Cb 0.30 -1.00 -0.06 0.00 0.01 0.00 0.00 72.50 71.75 2qbe s THR 65 CO 0.09 0.00 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.20 2qbe s LEU 66 N -0.84 2.60 -0.05 4.42 1.02 0.80 -1.96 118.68 124.67 2qbe s LEU 66 Ca 0.04 -1.22 -0.01 0.00 0.02 0.00 0.00 54.13 52.96 2qbe s LEU 66 Cb -0.01 -0.79 0.03 0.00 0.02 0.00 0.00 46.19 45.43 2qbe s LEU 66 CO -0.05 -0.31 0.03 0.68 0.02 0.00 0.00 176.35 176.72 2qbe s VAL 67 N -2.84 0.14 -1.20 -1.59 -7.23 1.06 0.26 120.40 109.00 2qbe s VAL 67 Ca 0.32 0.25 -0.17 0.00 -1.81 0.00 0.00 61.98 60.56 2qbe s VAL 67 Cb 0.04 -0.33 0.11 0.00 0.56 0.00 0.00 36.38 36.76 2qbe s VAL 67 CO 0.14 0.21 1.53 -0.69 -0.31 0.00 0.00 175.10 175.98 2qbe s VAL 68 N 1.90 4.52 -0.68 1.32 1.01 -1.13 -1.25 120.40 126.10 2qbe s VAL 68 Ca 0.03 -2.05 -0.24 0.00 0.00 0.00 0.00 61.98 59.71 2qbe s VAL 68 Cb -0.12 -5.03 -0.20 0.00 0.00 0.00 0.00 36.38 31.03 2qbe s VAL 68 CO -0.04 -1.81 1.87 0.00 0.00 0.00 0.00 175.10 175.12 2qbe n GLN 69 N 7.17 1.18 -1.74 2.72 1.13 0.34 -1.51 117.38 126.66 2qbe n GLN 69 Ca 0.40 -1.75 -0.42 0.00 -1.94 0.00 0.00 57.00 53.29 2qbe n GLN 69 Cb 0.46 -2.97 -0.03 0.00 0.11 0.00 0.00 30.24 27.81 2qbe n GLN 69 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2qbe s SER 70 N 5.68 6.44 0.17 1.08 0.15 0.54 -2.54 113.70 125.22 2qbe s SER 70 Ca 0.62 2.54 -0.12 0.00 0.70 0.00 0.00 55.95 59.68 2qbe s SER 70 Cb 0.12 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.96 2qbe s SER 70 CO 0.17 -1.08 1.70 -0.50 1.20 0.00 0.00 173.24 174.73 2qbe h TRP 71 N 10.63 0.90 -3.46 3.44 -0.00 -1.85 -3.42 115.95 122.19 2qbe h TRP 71 Ca -0.47 -0.08 -0.53 0.00 -0.00 0.00 0.00 58.89 57.80 2qbe h TRP 71 Cb 1.23 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 30.10 2qbe h TRP 71 CO 0.94 0.75 0.31 0.34 -0.00 0.00 0.00 178.44 180.79 2qbe s ASP 72 N -6.14 7.36 0.00 -3.49 -1.08 -1.26 -4.90 116.67 107.16 2qbe s ASP 72 Ca -0.13 1.64 0.01 0.00 -0.52 0.00 0.00 52.55 53.55 2qbe s ASP 72 Cb 0.12 -2.55 0.07 0.00 -1.46 0.00 0.00 42.92 39.10 2qbe s ASP 72 CO 0.80 -0.14 0.35 0.00 0.52 0.00 0.00 175.17 176.70 2qbe n GLN 73 N 3.36 0.26 0.00 4.34 -0.00 -1.26 -1.59 117.38 122.48 2qbe n GLN 73 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.03 2qbe n GLN 73 Cb 0.50 -1.07 0.00 0.00 -0.00 0.00 0.00 30.24 29.68 2qbe n GLN 73 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2qbe n ASN 74 N -0.57 2.27 0.27 2.61 2.85 -1.26 -4.71 115.26 116.73 2qbe n ASN 74 Ca 0.01 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.64 2qbe n ASN 74 Cb 0.00 0.45 0.70 0.00 1.24 0.00 0.00 39.78 42.18 2qbe n ASN 74 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2qbe h ALA 75 N 0.00 1.02 -0.98 5.20 0.00 -1.66 -2.76 119.26 120.09 2qbe h ALA 75 Ca 0.00 -0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.13 2qbe h ALA 75 Cb 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 2qbe h ALA 75 CO 0.00 0.05 0.67 1.25 0.00 0.00 0.00 179.25 181.22 2qbe h LEU 76 N 0.00 0.25 0.00 0.00 5.85 -1.83 0.75 115.31 120.32 2qbe h LEU 76 Ca -0.00 0.04 -0.18 0.00 0.84 0.00 0.00 57.88 58.57 2qbe h LEU 76 Cb 0.49 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2qbe h LEU 76 CO 0.01 0.07 -1.02 0.11 -0.34 0.00 0.00 178.44 177.27 2qbe h LYS 77 N 0.23 0.00 0.00 1.25 1.79 -1.84 -3.27 116.57 114.73 2qbe h LYS 77 Ca 0.51 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 2qbe h LYS 77 Cb 1.57 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.22 2qbe h LYS 77 CO -0.14 0.66 0.00 0.00 -1.08 0.00 0.00 179.45 178.89 2qbe n ALA 78 N -2.35 -0.33 -0.34 3.86 0.00 0.26 -2.33 120.51 119.27 2qbe n ALA 78 Ca -0.03 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.65 2qbe n ALA 78 Cb 0.88 0.03 0.53 0.00 0.00 0.00 0.00 19.45 20.89 2qbe n ALA 78 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbe h ILE 79 N 0.00 0.47 0.00 0.00 5.03 -1.67 0.81 117.51 122.14 2qbe h ILE 79 Ca 0.00 -0.12 0.00 0.00 -0.12 0.00 0.00 64.86 64.62 2qbe h ILE 79 Cb 0.00 0.09 0.00 0.00 -3.03 0.00 0.00 36.82 33.88 2qbe h ILE 79 CO 0.00 0.06 0.00 1.21 -0.68 0.00 0.00 178.15 178.74 2qbe n GLU 80 N -4.64 0.00 0.12 2.37 4.07 -1.11 0.09 120.64 121.53 2qbe n GLU 80 Ca 0.27 0.75 0.10 0.00 -0.06 0.00 0.00 57.16 58.22 2qbe n GLU 80 Cb 0.95 -1.44 0.46 0.00 -0.06 0.00 0.00 31.44 31.35 2qbe n GLU 80 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2qbe n LYS 81 N -2.40 0.13 0.10 5.31 2.85 -0.75 -0.67 118.16 122.73 2qbe n LYS 81 Ca 0.00 0.51 0.13 0.00 -1.05 0.00 0.00 58.31 57.90 2qbe n LYS 81 Cb 0.00 -1.83 0.39 0.00 -0.65 0.00 0.00 35.03 32.94 2qbe n LYS 81 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2qbe n ALA 82 N -1.72 2.34 0.28 0.58 0.00 0.31 -3.21 120.51 119.09 2qbe n ALA 82 Ca 0.01 -0.05 0.17 0.00 0.00 0.00 0.00 53.44 53.57 2qbe n ALA 82 Cb 0.12 -1.44 0.91 0.00 0.00 0.00 0.00 19.45 19.03 2qbe n ALA 82 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbe h ILE 83 N 0.00 0.00 -1.21 0.00 1.08 0.20 -3.41 117.51 114.17 2qbe h ILE 83 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 2qbe h ILE 83 Cb 0.73 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 35.22 2qbe h ILE 83 CO 0.00 0.00 0.00 -2.11 -0.69 0.00 0.00 178.15 175.35 2qbe n ARG 84 N -2.74 2.76 -2.07 2.37 1.85 -1.20 0.16 116.66 117.80 2qbe n ARG 84 Ca -0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.75 2qbe n ARG 84 Cb 0.14 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.53 2qbe n ARG 84 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2qbe n ASP 85 N 0.00 -2.56 -3.61 2.89 9.92 -1.26 -4.39 116.55 117.54 2qbe n ASP 85 Ca 0.00 0.27 -0.06 0.00 -0.53 0.00 0.00 54.79 54.47 2qbe n ASP 85 Cb 0.00 -2.34 -0.01 0.00 -0.64 0.00 0.00 41.12 38.13 2qbe n ASP 85 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2qbe s SER 86 N -1.90 -0.16 0.00 -2.24 0.15 -1.26 -4.99 113.70 103.30 2qbe s SER 86 Ca 0.00 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 55.98 2qbe s SER 86 Cb 0.00 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 2qbe s SER 86 CO 0.00 -1.28 0.69 -0.90 1.20 0.00 0.00 173.24 172.95 2qbe n ASP 87 N -0.72 0.00 -0.02 5.45 3.85 -1.26 -2.09 116.55 121.77 2qbe n ASP 87 Ca -0.05 0.23 -0.01 0.00 -0.71 0.00 0.00 54.79 54.25 2qbe n ASP 87 Cb 0.60 -0.23 -0.00 0.00 -1.35 0.00 0.00 41.12 40.13 2qbe n ASP 87 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 2qbe h LEU 88 N 0.00 0.00 0.97 -2.12 3.38 -1.88 -3.47 115.31 112.18 2qbe h LEU 88 Ca 0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 2qbe h LEU 88 Cb 0.12 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.75 2qbe h LEU 88 CO 0.00 0.21 -0.36 0.61 0.09 0.00 0.00 178.44 179.00 2qbe n GLY 89 N 1.78 -0.47 3.95 0.83 0.00 0.41 -4.90 105.19 106.79 2qbe n GLY 89 Ca -0.01 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 2qbe n GLY 89 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qbe s LEU 90 N -5.89 3.27 -0.63 0.99 1.02 -1.14 -4.77 118.68 111.53 2qbe s LEU 90 Ca 0.29 0.33 0.05 0.00 0.02 0.00 0.00 54.13 54.81 2qbe s LEU 90 Cb -0.16 -3.15 0.16 0.00 0.02 0.00 0.00 46.19 43.05 2qbe s LEU 90 CO 0.35 -1.10 0.42 0.21 0.02 0.00 0.00 176.35 176.24 2qbe s ASN 91 N -4.36 4.50 1.33 2.29 3.04 -1.26 -4.42 114.94 116.05 2qbe s ASN 91 Ca 0.55 -3.56 -0.22 0.00 0.04 0.00 0.00 52.86 49.67 2qbe s ASN 91 Cb -0.10 -1.56 0.33 0.00 -1.54 0.00 0.00 41.25 38.38 2qbe s ASN 91 CO 0.41 -0.13 1.04 -2.84 -3.04 0.00 0.00 177.10 172.54 2qbe s PRO 92 N -1.02 -2.19 0.00 0.43 0.02 -1.26 -5.08 135.00 125.90 2qbe s PRO 92 Ca 0.23 -0.11 0.00 0.00 0.02 0.00 0.00 61.00 61.14 2qbe s PRO 92 Cb -0.10 -1.49 0.00 0.00 0.02 0.00 0.00 34.50 32.93 2qbe s PRO 92 CO -0.12 -4.34 0.00 0.43 -0.33 0.00 0.00 177.00 172.64 2qbe n SER 93 N -5.20 0.00 -2.93 2.53 7.64 -1.24 -5.00 113.62 109.41 2qbe n SER 93 Ca 0.15 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 60.00 2qbe n SER 93 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 2qbe n SER 93 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2qbe s ASN 94 N -1.00 -1.42 -0.25 6.43 2.47 -1.26 -4.69 114.94 115.21 2qbe s ASN 94 Ca 0.00 -1.42 -0.02 0.00 0.42 0.00 0.00 52.86 51.83 2qbe s ASN 94 Cb 0.00 1.88 0.08 0.00 -1.45 0.00 0.00 41.25 41.77 2qbe s ASN 94 CO 0.00 -0.09 0.08 -0.75 -3.72 0.00 0.00 177.10 172.61 2qbe s LYS 95 N 1.20 0.56 0.49 0.43 2.47 -1.26 -5.10 119.74 118.53 2qbe s LYS 95 Ca 0.25 -0.66 0.00 0.00 -1.56 0.00 0.00 55.97 54.00 2qbe s LYS 95 Cb -0.01 -1.87 0.00 0.00 -1.46 0.00 0.00 37.83 34.48 2qbe s LYS 95 CO -0.06 -0.84 0.00 0.41 0.16 0.00 0.00 175.35 175.02 2qbe n GLY 96 N 5.02 -2.16 0.32 5.54 0.00 -1.26 -4.18 105.19 108.47 2qbe n GLY 96 Ca -0.06 -1.47 0.15 0.00 0.00 0.00 0.00 46.02 44.64 2qbe n GLY 96 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2qbe h ASP 97 N -0.03 0.00 -3.38 1.61 2.03 -1.89 -3.40 116.42 111.36 2qbe h ASP 97 Ca 0.00 0.00 -0.65 0.00 -0.73 0.00 0.00 57.03 55.65 2qbe h ASP 97 Cb 0.03 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 38.27 2qbe h ASP 97 CO 0.00 0.00 -0.72 0.00 -1.03 0.00 0.00 179.24 177.49 2qbe s ALA 98 N -4.84 2.83 1.00 4.15 0.00 -1.22 0.20 121.76 123.87 2qbe s ALA 98 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2qbe s ALA 98 Cb 0.17 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.68 2qbe s ALA 98 CO 0.63 -0.21 0.00 1.28 0.00 0.00 0.00 175.76 177.46 2qbe n LEU 99 N 4.37 0.00 -3.71 0.00 4.77 -0.57 -4.46 117.00 117.39 2qbe n LEU 99 Ca -0.18 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.68 2qbe n LEU 99 Cb 0.51 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 2qbe n LEU 99 CO 0.30 -0.75 -0.09 -0.31 -1.33 0.00 0.00 177.39 175.21 2qbe s TYR 100 N -0.69 -0.39 -0.34 -1.77 2.02 -1.24 -2.83 117.35 112.11 2qbe s TYR 100 Ca 0.00 0.91 -0.01 0.00 -0.37 0.00 0.00 57.07 57.59 2qbe s TYR 100 Cb 0.00 0.08 0.12 0.00 -0.40 0.00 0.00 41.96 41.76 2qbe s TYR 100 CO 0.00 -0.27 0.17 0.42 -1.57 0.00 0.00 175.55 174.30 2qbe s ILE 101 N 1.41 0.41 1.01 2.71 1.01 0.14 -3.69 121.20 124.19 2qbe s ILE 101 Ca -0.08 -1.46 -0.17 0.00 0.00 0.00 0.00 60.65 58.94 2qbe s ILE 101 Cb -0.10 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.05 2qbe s ILE 101 CO -0.09 -0.83 -0.15 0.59 0.00 0.00 0.00 174.94 174.46 2qbe n ASN 102 N 4.53 -3.06 -3.34 3.58 5.03 -1.25 -0.14 115.26 120.60 2qbe n ASN 102 Ca 0.03 0.15 -0.25 0.00 0.87 0.00 0.00 54.58 55.38 2qbe n ASN 102 Cb 0.39 -0.98 -0.09 0.00 -1.02 0.00 0.00 39.78 38.08 2qbe n ASN 102 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2qbe s ILE 103 N -2.23 0.15 0.62 2.41 1.01 0.76 -4.52 121.20 119.40 2qbe s ILE 103 Ca 0.51 -2.29 -0.00 0.00 0.00 0.00 0.00 60.65 58.87 2qbe s ILE 103 Cb -0.15 -1.09 0.12 0.00 0.01 0.00 0.00 42.46 41.36 2qbe s ILE 103 CO 0.70 -1.06 0.85 -0.81 0.00 0.00 0.00 174.94 174.62 2qbe n PRO 104 N 3.09 -0.00 -3.48 2.79 -0.04 -1.26 -4.07 135.00 132.02 2qbe n PRO 104 Ca 0.26 -2.33 -0.35 0.00 -0.04 0.00 0.00 63.50 61.04 2qbe n PRO 104 Cb 0.47 -0.57 -0.06 0.00 -0.04 0.00 0.00 33.50 33.31 2qbe n PRO 104 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 2qbe s PRO 105 N -4.71 3.85 0.76 0.54 0.05 -1.26 -4.79 135.00 129.44 2qbe s PRO 105 Ca 0.57 0.30 -0.13 0.00 0.05 0.00 0.00 61.00 61.79 2qbe s PRO 105 Cb -0.03 -2.95 0.18 0.00 0.05 0.00 0.00 34.50 31.74 2qbe s PRO 105 CO 0.38 0.51 0.96 1.47 0.05 0.00 0.00 177.00 180.37 2qbe n LEU 106 N 0.80 0.00 -4.92 -3.56 -0.00 -1.26 -5.08 117.00 102.98 2qbe n LEU 106 Ca -0.06 -1.04 -0.27 0.00 -0.00 0.00 0.00 56.01 54.63 2qbe n LEU 106 Cb 0.52 -0.75 0.03 0.00 -0.00 0.00 0.00 43.42 43.22 2qbe n LEU 106 CO 0.43 -1.31 0.55 -0.89 -0.00 0.00 0.00 177.39 176.16 2qbe s THR 107 N -3.04 3.59 0.22 1.47 2.01 -1.26 -4.97 115.64 113.67 2qbe s THR 107 Ca 0.55 0.02 0.19 0.00 0.31 0.00 0.00 61.69 62.77 2qbe s THR 107 Cb -0.02 -3.44 0.15 0.00 0.01 0.00 0.00 72.50 69.20 2qbe s THR 107 CO 0.39 -0.46 1.79 -0.33 -0.69 0.00 0.00 174.62 175.32 2qbe h GLU 108 N -0.22 0.00 0.67 4.92 4.39 -1.98 -1.31 114.58 121.05 2qbe h GLU 108 Ca -0.45 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.21 2qbe h GLU 108 Cb 1.26 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.91 2qbe h GLU 108 CO 0.61 0.34 -0.32 0.93 -1.16 0.00 0.00 179.01 179.41 2qbe h GLU 109 N 0.00 -0.87 0.00 2.33 5.08 -2.00 -1.16 114.58 117.97 2qbe h GLU 109 Ca -0.00 0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2qbe h GLU 109 Cb 0.80 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2qbe h GLU 109 CO 0.04 -0.56 -0.10 0.00 -1.00 0.00 0.00 179.01 177.40 2qbe h ARG 110 N -0.97 0.00 -0.79 2.33 2.47 -1.96 0.89 114.38 116.35 2qbe h ARG 110 Ca -0.09 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.72 2qbe h ARG 110 Cb 0.71 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.96 2qbe h ARG 110 CO 0.15 0.10 0.44 -0.09 0.56 0.00 0.00 179.97 181.14 2qbe h ARG 111 N 0.00 0.73 0.00 0.04 9.65 -0.17 0.52 114.38 125.16 2qbe h ARG 111 Ca -0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2qbe h ARG 111 Cb 0.22 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 2qbe h ARG 111 CO 0.01 0.48 0.00 1.63 2.80 0.00 0.00 179.97 184.90 2qbe n LYS 112 N -4.76 0.00 -0.31 0.20 5.02 0.25 -1.70 118.16 116.86 2qbe n LYS 112 Ca 0.13 0.35 0.17 0.00 -2.02 0.00 0.00 58.31 56.93 2qbe n LYS 112 Cb 0.26 -1.27 0.34 0.00 -0.02 0.00 0.00 35.03 34.34 2qbe n LYS 112 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 2qbe h ASP 113 N 0.00 0.01 0.20 4.39 1.82 -1.23 0.27 116.42 121.88 2qbe h ASP 113 Ca 0.00 0.22 -0.08 0.00 -0.39 0.00 0.00 57.03 56.78 2qbe h ASP 113 Cb 0.00 0.29 -0.01 0.00 0.68 0.00 0.00 39.33 40.29 2qbe h ASP 113 CO 0.00 -0.22 -0.30 -0.07 -1.61 0.00 0.00 179.24 177.04 2qbe h LEU 114 N 0.17 0.17 0.14 2.28 4.07 -0.00 -1.55 115.31 120.58 2qbe h LEU 114 Ca 0.61 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.51 2qbe h LEU 114 Cb 1.32 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 43.01 2qbe h LEU 114 CO -0.71 0.47 -0.07 0.58 -1.08 0.00 0.00 178.44 177.64 2qbe h VAL 115 N 0.15 0.74 -0.85 1.22 2.07 0.39 -1.20 116.25 118.77 2qbe h VAL 115 Ca 0.02 -1.22 0.17 0.00 0.82 0.00 0.00 66.70 66.49 2qbe h VAL 115 Cb 0.62 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.62 2qbe h VAL 115 CO 0.04 0.21 0.56 0.08 0.02 0.00 0.00 177.57 178.49 2qbe h ARG 116 N -0.93 0.49 0.40 1.57 0.11 -1.33 -1.85 114.38 112.84 2qbe h ARG 116 Ca -0.02 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.01 2qbe h ARG 116 Cb 0.49 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.46 2qbe h ARG 116 CO 0.03 0.32 -0.19 0.00 0.10 0.00 0.00 179.97 180.23 2qbe h ALA 117 N 1.62 -0.54 -0.44 0.08 0.00 -1.30 -1.56 119.26 117.12 2qbe h ALA 117 Ca 0.43 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.21 2qbe h ALA 117 Cb 0.92 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 2qbe h ALA 117 CO -0.17 -0.59 -0.55 0.28 0.00 0.00 0.00 179.25 178.21 2qbe h VAL 118 N -0.96 0.00 -0.02 0.00 2.07 -0.44 0.23 116.25 117.14 2qbe h VAL 118 Ca -0.05 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 2qbe h VAL 118 Cb 0.55 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 2qbe h VAL 118 CO 0.09 0.00 -0.10 0.03 0.02 0.00 0.00 177.57 177.61 2qbe h ARG 119 N -0.37 0.02 0.73 1.57 3.08 -1.48 -1.96 114.38 115.97 2qbe h ARG 119 Ca 0.08 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 2qbe h ARG 119 Cb 0.57 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2qbe h ARG 119 CO -0.61 0.13 -0.40 0.37 -1.07 0.00 0.00 179.97 178.38 2qbe h GLN 120 N 0.02 -1.01 -0.88 0.04 5.75 0.42 -1.43 115.11 118.03 2qbe h GLN 120 Ca 0.00 0.07 0.12 0.00 -0.15 0.00 0.00 58.65 58.69 2qbe h GLN 120 Cb 0.19 0.23 -0.07 0.00 1.07 0.00 0.00 27.48 28.90 2qbe h GLN 120 CO 0.01 -0.67 0.57 1.88 -2.65 0.00 0.00 178.83 177.97 2qbe h TYR 121 N -1.05 0.87 0.16 3.99 0.05 -0.73 -1.05 116.97 119.22 2qbe h TYR 121 Ca -0.10 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.72 2qbe h TYR 121 Cb 0.83 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 38.25 2qbe h TYR 121 CO -0.07 0.37 -0.43 0.00 -1.05 0.00 0.00 178.16 176.98 2qbe h ALA 122 N 1.58 -0.79 -0.12 3.88 0.00 -0.70 -1.07 119.26 122.04 2qbe h ALA 122 Ca 0.42 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2qbe h ALA 122 Cb 0.55 0.71 -0.03 0.00 0.00 0.00 0.00 17.79 19.02 2qbe h ALA 122 CO -0.19 -1.01 -0.05 1.49 0.00 0.00 0.00 179.25 179.50 2qbe h GLU 123 N -0.69 -0.03 -0.83 0.00 4.57 -0.46 -1.58 114.58 115.56 2qbe h GLU 123 Ca 0.01 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.40 2qbe h GLU 123 Cb 0.70 0.01 -0.14 0.00 -0.16 0.00 0.00 28.75 29.15 2qbe h GLU 123 CO -0.22 -0.02 0.05 0.93 -1.18 0.00 0.00 179.01 178.56 2qbe h GLU 124 N -0.04 0.10 0.13 1.92 5.08 -0.85 0.18 114.58 121.11 2qbe h GLU 124 Ca 0.07 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2qbe h GLU 124 Cb 0.13 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2qbe h GLU 124 CO -0.15 0.07 -0.06 0.78 -1.00 0.00 0.00 179.01 178.65 2qbe h GLY 125 N 0.10 -0.18 -0.26 -3.84 0.00 -0.59 -1.97 103.07 96.33 2qbe h GLY 125 Ca 0.48 0.07 0.09 0.00 0.00 0.00 0.00 47.33 47.96 2qbe h GLY 125 CO -0.72 -0.07 -0.33 3.21 0.00 0.00 0.00 176.54 178.63 2qbe h ARG 126 N -0.32 -0.22 -0.12 4.80 3.08 0.22 -0.71 114.38 121.11 2qbe h ARG 126 Ca -0.02 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.09 2qbe h ARG 126 Cb 0.26 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.30 2qbe h ARG 126 CO 0.03 -0.14 -0.27 0.28 -1.07 0.00 0.00 179.97 178.80 2qbe h VAL 127 N -0.22 0.37 -0.82 2.04 2.07 -0.90 -0.10 116.25 118.69 2qbe h VAL 127 Ca 0.19 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.90 2qbe h VAL 127 Cb 0.54 0.37 -0.12 0.00 -1.52 0.00 0.00 31.29 30.57 2qbe h VAL 127 CO -0.59 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.24 2qbe h ALA 128 N 0.56 1.15 -0.14 1.67 0.00 -0.46 -0.19 119.26 121.86 2qbe h ALA 128 Ca 0.10 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2qbe h ALA 128 Cb 0.49 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2qbe h ALA 128 CO -0.32 -0.37 0.07 0.82 0.00 0.00 0.00 179.25 179.45 2qbe h ILE 129 N 0.28 1.12 -0.09 0.00 2.04 0.23 -1.78 117.51 119.31 2qbe h ILE 129 Ca 0.49 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 66.05 2qbe h ILE 129 Cb 0.90 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 2qbe h ILE 129 CO -0.56 0.11 -0.43 0.03 0.00 0.00 0.00 178.15 177.30 2qbe h ARG 130 N 0.10 -0.51 -0.76 2.37 2.47 0.67 0.27 114.38 118.99 2qbe h ARG 130 Ca 0.05 0.03 0.15 0.00 -1.26 0.00 0.00 59.98 58.95 2qbe h ARG 130 Cb 0.11 0.12 -0.10 0.00 -1.65 0.00 0.00 29.97 28.45 2qbe h ARG 130 CO -0.01 -0.34 0.30 -0.91 0.56 0.00 0.00 179.97 179.58 2qbe h ASN 131 N -0.53 0.28 -0.26 7.04 -0.26 -1.23 0.12 115.58 120.74 2qbe h ASN 131 Ca 0.06 0.11 -0.00 0.00 -0.56 0.00 0.00 56.30 55.91 2qbe h ASN 131 Cb 0.64 0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.98 2qbe h ASN 131 CO -0.37 0.10 0.16 0.40 -1.06 0.00 0.00 177.43 176.65 2qbe h ILE 132 N 0.44 1.09 0.14 2.81 2.04 -0.18 -1.62 117.51 122.23 2qbe h ILE 132 Ca 0.42 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 66.07 2qbe h ILE 132 Cb 0.65 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 2qbe h ILE 132 CO -0.41 0.09 -0.15 -0.09 0.00 0.00 0.00 178.15 177.59 2qbe h ARG 133 N 0.33 -0.31 -0.69 2.37 1.12 0.78 -0.67 114.38 117.32 2qbe h ARG 133 Ca 0.09 0.02 0.07 0.00 -1.11 0.00 0.00 59.98 59.05 2qbe h ARG 133 Cb 0.01 0.07 -0.10 0.00 -0.01 0.00 0.00 29.97 29.94 2qbe h ARG 133 CO -0.02 -0.21 -0.57 -0.09 -3.11 0.00 0.00 179.97 175.97 2qbe h ARG 134 N -0.32 -0.20 -0.83 0.20 2.43 -0.57 0.26 114.38 115.34 2qbe h ARG 134 Ca 0.01 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.31 2qbe h ARG 134 Cb 0.31 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 29.83 2qbe h ARG 134 CO -0.05 -0.13 0.45 0.93 -1.51 0.00 0.00 179.97 179.66 2qbe h GLU 135 N -0.21 0.69 -0.89 0.20 5.08 -1.01 0.41 114.58 118.86 2qbe h GLU 135 Ca 0.11 -0.04 0.12 0.00 -1.00 0.00 0.00 59.36 58.55 2qbe h GLU 135 Cb 0.50 -0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.52 2qbe h GLU 135 CO -0.76 0.46 0.52 0.00 -1.00 0.00 0.00 179.01 178.23 2qbe h ALA 136 N 1.50 1.31 -0.34 3.43 0.00 0.10 -1.26 119.26 124.01 2qbe h ALA 136 Ca 0.43 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.22 2qbe h ALA 136 Cb 0.49 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2qbe h ALA 136 CO -0.30 0.09 -0.38 1.25 0.00 0.00 0.00 179.25 179.91 2qbe h LEU 137 N 0.82 0.92 -0.14 0.00 7.12 0.78 -1.96 115.31 122.85 2qbe h LEU 137 Ca 0.45 -0.48 0.05 0.00 0.13 0.00 0.00 57.88 58.02 2qbe h LEU 137 Cb 0.47 -0.26 -0.05 0.00 -0.53 0.00 0.00 40.66 40.29 2qbe h LEU 137 CO -0.28 1.22 -0.19 0.44 -0.13 0.00 0.00 178.44 179.50 2qbe h ASP 138 N 0.65 -0.58 -0.99 1.25 5.19 -0.23 0.56 116.42 122.27 2qbe h ASP 138 Ca 0.05 0.10 0.11 0.00 -0.62 0.00 0.00 57.03 56.67 2qbe h ASP 138 Cb 0.97 0.27 -0.08 0.00 0.18 0.00 0.00 39.33 40.67 2qbe h ASP 138 CO 0.09 -0.23 0.63 0.11 -3.12 0.00 0.00 179.24 176.72 2qbe h LYS 139 N -0.23 0.98 -0.97 3.56 1.79 -1.24 -0.45 116.57 120.00 2qbe h LYS 139 Ca 0.10 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.54 2qbe h LYS 139 Cb 0.38 -0.22 -0.05 0.00 -1.58 0.00 0.00 32.23 30.75 2qbe h LYS 139 CO -0.27 0.65 0.64 1.25 -1.08 0.00 0.00 179.45 180.63 2qbe h LEU 140 N 1.00 1.08 -0.24 2.94 5.85 -0.15 -0.97 115.31 124.82 2qbe h LEU 140 Ca 0.48 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.17 2qbe h LEU 140 Cb 0.44 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 2qbe h LEU 140 CO -0.24 0.75 0.11 0.11 -0.34 0.00 0.00 178.44 178.83 2qbe h LYS 141 N 1.25 0.36 -0.77 1.25 1.79 0.38 -1.08 116.57 119.75 2qbe h LYS 141 Ca 0.38 -0.06 0.10 0.00 -2.18 0.00 0.00 60.65 58.89 2qbe h LYS 141 Cb -0.04 -0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 30.47 2qbe h LYS 141 CO -0.11 0.38 0.41 0.87 -1.08 0.00 0.00 179.45 179.92 2qbe h LYS 142 N 0.25 0.64 0.05 3.15 1.79 -0.67 -1.42 116.57 120.37 2qbe h LYS 142 Ca 0.08 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2qbe h LYS 142 Cb 0.15 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2qbe h LYS 142 CO -0.01 0.43 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.69 2qbe h LEU 143 N 0.66 -0.06 -0.71 2.94 4.07 -0.73 -0.96 115.31 120.52 2qbe h LEU 143 Ca 0.39 -0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.38 2qbe h LEU 143 Cb 0.43 0.02 -0.10 0.00 1.08 0.00 0.00 40.66 42.08 2qbe h LEU 143 CO -0.28 0.00 -0.56 0.00 -1.08 0.00 0.00 178.44 176.52 2qbe h ALA 144 N 0.82 -0.62 -0.75 1.53 0.00 -0.16 0.36 119.26 120.44 2qbe h ALA 144 Ca -0.01 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2qbe h ALA 144 Cb 0.10 1.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 2qbe h ALA 144 CO 0.01 -0.99 0.50 0.87 0.00 0.00 0.00 179.25 179.64 2qbe h LYS 145 N -0.19 0.97 0.00 0.00 1.57 -1.24 -1.91 116.57 115.77 2qbe h LYS 145 Ca 0.13 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2qbe h LYS 145 Cb 0.51 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2qbe h LYS 145 CO -0.78 0.64 0.00 0.39 -0.57 0.00 0.00 179.45 179.14 2qbe n GLU 146 N -4.43 0.00 0.00 3.15 1.02 0.72 -3.77 120.64 117.34 2qbe n GLU 146 Ca 0.08 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 2qbe n GLU 146 Cb 0.04 -1.04 0.02 0.00 -0.02 0.00 0.00 31.44 30.44 2qbe n GLU 146 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qbe n LEU 147 N -1.52 0.00 -3.89 -4.62 4.77 0.91 -4.77 117.00 107.89 2qbe n LEU 147 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 2qbe n LEU 147 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2qbe n LEU 147 CO 0.00 0.00 -0.05 1.41 -1.33 0.00 0.00 177.39 177.42 2qbe n HIS 148 N -0.63 -1.96 -1.00 -1.77 8.25 -1.02 -4.93 115.22 112.15 2qbe n HIS 148 Ca 0.01 0.84 -0.30 0.00 -0.26 0.00 0.00 57.72 58.00 2qbe n HIS 148 Cb 0.00 -3.94 0.16 0.00 1.12 0.00 0.00 29.99 27.33 2qbe n HIS 148 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2qbe s LEU 149 N -7.01 2.09 0.21 2.41 1.43 -0.75 -5.05 118.68 112.02 2qbe s LEU 149 Ca 0.30 1.61 0.05 0.00 -1.03 0.00 0.00 54.13 55.06 2qbe s LEU 149 Cb -0.15 -3.93 -0.03 0.00 0.03 0.00 0.00 46.19 42.11 2qbe s LEU 149 CO 0.85 -3.00 0.23 -0.94 0.23 0.00 0.00 176.35 173.72 2qbe s SER 150 N -3.14 5.82 0.37 2.29 1.04 -1.26 -4.91 113.70 113.91 2qbe s SER 150 Ca 0.65 -0.09 0.16 0.00 0.48 0.00 0.00 55.95 57.15 2qbe s SER 150 Cb -0.20 -1.59 1.07 0.00 0.10 0.00 0.00 66.02 65.40 2qbe s SER 150 CO 0.58 -0.01 1.73 -0.08 0.98 0.00 0.00 173.24 176.45 2qbe h GLU 151 N 1.74 0.40 -0.25 4.02 4.81 -1.99 0.21 114.58 123.52 2qbe h GLU 151 Ca -0.49 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 58.62 2qbe h GLU 151 Cb 1.22 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 2qbe h GLU 151 CO 0.62 0.27 -0.22 -0.44 -0.73 0.00 0.00 179.01 178.51 2qbe h ASP 152 N 0.41 0.63 -0.59 1.04 3.45 -1.98 -1.55 116.42 117.84 2qbe h ASP 152 Ca 0.65 -0.46 -0.10 0.00 0.43 0.00 0.00 57.03 57.55 2qbe h ASP 152 Cb 1.55 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 40.12 2qbe h ASP 152 CO -0.40 0.96 -0.00 -0.33 -1.57 0.00 0.00 179.24 177.90 2qbe h GLU 153 N 0.30 1.05 -0.20 3.56 5.08 -1.11 -0.98 114.58 122.28 2qbe h GLU 153 Ca 0.04 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 57.96 2qbe h GLU 153 Cb 0.78 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2qbe h GLU 153 CO 0.06 1.03 -0.31 1.79 -1.00 0.00 0.00 179.01 180.57 2qbe h THR 154 N 0.96 1.33 -0.28 1.13 1.35 -0.81 -1.69 112.91 114.91 2qbe h THR 154 Ca 0.17 -1.52 -0.08 0.00 -0.55 0.00 0.00 66.41 64.43 2qbe h THR 154 Cb 0.56 1.83 -0.01 0.00 -1.73 0.00 0.00 68.15 68.79 2qbe h THR 154 CO 0.03 0.47 -0.18 0.11 -0.25 0.00 0.00 175.52 175.70 2qbe h LYS 155 N 0.24 0.49 -0.20 4.72 1.79 -1.25 -0.53 116.57 121.83 2qbe h LYS 155 Ca 0.02 -0.16 -0.01 0.00 -2.18 0.00 0.00 60.65 58.32 2qbe h LYS 155 Cb 0.89 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.49 2qbe h LYS 155 CO 0.07 0.65 0.07 -0.09 -1.08 0.00 0.00 179.45 179.07 2qbe h ARG 156 N 0.44 0.31 -0.96 3.15 9.65 -1.12 -1.55 114.38 124.31 2qbe h ARG 156 Ca 0.08 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.93 2qbe h ARG 156 Cb 0.56 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.04 2qbe h ARG 156 CO 0.04 0.40 0.63 0.00 2.80 0.00 0.00 179.97 183.83 2qbe h ALA 157 N 0.90 1.38 0.32 2.80 0.00 -0.86 -1.67 119.26 122.12 2qbe h ALA 157 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2qbe h ALA 157 Cb 0.21 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2qbe h ALA 157 CO -0.00 0.53 -0.15 0.93 0.00 0.00 0.00 179.25 180.56 2qbe h GLU 158 N 1.22 -0.41 -0.55 0.00 5.08 -0.73 -1.02 114.58 118.16 2qbe h GLU 158 Ca 0.38 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.87 2qbe h GLU 158 Cb -0.00 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.25 2qbe h GLU 158 CO -0.11 -0.27 0.04 0.00 -1.00 0.00 0.00 179.01 177.67 2qbe h ALA 159 N 0.24 0.57 -0.35 3.43 0.00 -0.84 -0.86 119.26 121.46 2qbe h ALA 159 Ca -0.04 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.05 2qbe h ALA 159 Cb 0.34 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2qbe h ALA 159 CO 0.07 -0.36 0.13 1.49 0.00 0.00 0.00 179.25 180.58 2qbe h GLU 160 N 0.17 0.27 -0.18 0.00 4.57 -1.04 -1.54 114.58 116.82 2qbe h GLU 160 Ca 0.28 -0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.49 2qbe h GLU 160 Cb 0.43 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.89 2qbe h GLU 160 CO -0.43 0.18 -0.42 0.82 -1.18 0.00 0.00 179.01 177.98 2qbe h ILE 161 N 0.28 0.15 -0.71 2.32 1.08 0.13 0.20 117.51 120.95 2qbe h ILE 161 Ca 0.16 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.78 2qbe h ILE 161 Cb 0.12 0.15 -0.11 0.00 -3.07 0.00 0.00 36.82 33.91 2qbe h ILE 161 CO -0.16 0.00 0.11 -0.61 -0.69 0.00 0.00 178.15 176.81 2qbe h GLN 162 N -0.46 0.20 0.09 2.37 5.75 -0.80 -1.25 115.11 121.01 2qbe h GLN 162 Ca 0.09 -0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 2qbe h GLN 162 Cb 0.62 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 29.07 2qbe h GLN 162 CO -0.42 0.13 -0.51 -0.22 -2.65 0.00 0.00 178.83 175.16 2qbe h LYS 163 N 0.21 -0.69 -0.78 1.69 3.64 0.02 0.10 116.57 120.76 2qbe h LYS 163 Ca 0.39 0.05 0.13 0.00 -1.27 0.00 0.00 60.65 59.95 2qbe h LYS 163 Cb 0.67 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.55 2qbe h LYS 163 CO -0.53 -0.46 0.37 0.82 -2.27 0.00 0.00 179.45 177.37 2qbe h ILE 164 N -0.71 0.73 0.63 2.00 2.04 -0.60 -1.24 117.51 120.36 2qbe h ILE 164 Ca 0.01 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 2qbe h ILE 164 Cb 0.74 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2qbe h ILE 164 CO -0.30 0.10 -0.48 0.74 0.00 0.00 0.00 178.15 178.22 2qbe h THR 165 N 0.55 0.06 -0.48 -0.27 2.02 -0.29 -2.49 112.91 112.01 2qbe h THR 165 Ca 0.42 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.69 2qbe h THR 165 Cb 0.57 0.06 -0.08 0.00 -1.74 0.00 0.00 68.15 66.96 2qbe h THR 165 CO -0.36 0.00 0.00 0.44 0.37 0.00 0.00 175.52 175.98 2qbe h ASP 166 N -1.07 -0.19 -0.39 4.18 3.32 -0.37 -1.40 116.42 120.50 2qbe h ASP 166 Ca -0.08 0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.14 2qbe h ASP 166 Cb 0.89 0.20 -0.09 0.00 0.22 0.00 0.00 39.33 40.55 2qbe h ASP 166 CO 0.03 -0.06 -0.49 -0.33 -1.72 0.00 0.00 179.24 176.67 2qbe h GLU 167 N 0.12 -0.36 -0.95 3.56 5.08 -1.07 0.11 114.58 121.07 2qbe h GLU 167 Ca 0.24 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.71 2qbe h GLU 167 Cb 0.35 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.62 2qbe h GLU 167 CO -0.39 -0.24 0.59 0.74 -1.00 0.00 0.00 179.01 178.71 2qbe h PHE 168 N -0.38 1.09 -0.69 4.33 -1.00 -0.94 -0.08 116.94 119.27 2qbe h PHE 168 Ca 0.11 0.03 0.12 0.00 2.81 0.00 0.00 57.97 61.04 2qbe h PHE 168 Cb 0.60 -0.35 -0.09 0.00 3.61 0.00 0.00 35.95 39.72 2qbe h PHE 168 CO -0.66 0.52 0.26 0.82 -1.61 0.00 0.00 178.31 177.63 2qbe h ILE 169 N 1.03 0.69 0.24 -0.55 1.08 0.18 -0.88 117.51 119.31 2qbe h ILE 169 Ca 0.43 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.75 2qbe h ILE 169 Cb 0.27 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.25 2qbe h ILE 169 CO -0.21 0.07 -0.17 0.00 -0.69 0.00 0.00 178.15 177.16 2qbe h ALA 170 N 1.50 -0.39 -0.70 1.87 0.00 0.80 -1.20 119.26 121.15 2qbe h ALA 170 Ca 0.37 -0.07 0.13 0.00 0.00 0.00 0.00 54.91 55.34 2qbe h ALA 170 Cb 0.53 0.21 -0.13 0.00 0.00 0.00 0.00 17.79 18.40 2qbe h ALA 170 CO -0.38 -0.73 -0.29 -0.22 0.00 0.00 0.00 179.25 177.63 2qbe h LYS 171 N -0.41 -0.08 -0.59 0.00 3.11 -0.19 0.24 116.57 118.65 2qbe h LYS 171 Ca -0.02 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.87 2qbe h LYS 171 Cb 0.35 0.02 -0.05 0.00 -1.00 0.00 0.00 32.23 31.55 2qbe h LYS 171 CO 0.01 -0.06 0.33 0.00 -2.81 0.00 0.00 179.45 176.93 2qbe h ALA 172 N 1.31 0.77 0.77 5.00 0.00 -0.91 -1.08 119.26 125.13 2qbe h ALA 172 Ca 0.29 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 2qbe h ALA 172 Cb 0.56 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2qbe h ALA 172 CO -0.75 0.03 -0.46 -0.44 0.00 0.00 0.00 179.25 177.63 2qbe h ASP 173 N 0.64 -1.14 -0.14 0.00 3.32 0.59 -1.22 116.42 118.46 2qbe h ASP 173 Ca 0.25 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.41 2qbe h ASP 173 Cb 0.11 0.33 -0.07 0.00 0.22 0.00 0.00 39.33 39.92 2qbe h ASP 173 CO -0.14 -0.71 -0.43 -0.61 -1.72 0.00 0.00 179.24 175.62 2qbe h GLN 174 N -1.15 -0.48 -0.12 3.56 4.15 -0.72 0.23 115.11 120.59 2qbe h GLN 174 Ca -0.10 0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.39 2qbe h GLN 174 Cb 0.92 0.11 -0.07 0.00 0.21 0.00 0.00 27.48 28.65 2qbe h GLN 174 CO 0.11 -0.32 -0.50 -0.07 -1.93 0.00 0.00 178.83 176.13 2qbe h LEU 175 N -0.49 -1.57 -1.25 -2.39 4.07 -1.17 0.13 115.31 112.64 2qbe h LEU 175 Ca 0.07 0.19 0.17 0.00 0.08 0.00 0.00 57.88 58.39 2qbe h LEU 175 Cb 0.63 0.62 -0.08 0.00 1.08 0.00 0.00 40.66 42.91 2qbe h LEU 175 CO -0.40 -0.47 0.59 0.00 -1.08 0.00 0.00 178.44 177.08 2qbe h ALA 176 N -0.14 1.86 -0.35 1.53 0.00 -0.86 -0.33 119.26 120.96 2qbe h ALA 176 Ca 0.05 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2qbe h ALA 176 Cb 0.67 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2qbe h ALA 176 CO -0.42 -0.14 -0.03 1.49 0.00 0.00 0.00 179.25 180.15 2qbe h GLU 177 N 0.67 0.56 0.04 0.00 4.22 0.20 -1.08 114.58 119.18 2qbe h GLU 177 Ca 0.49 -0.13 -0.00 0.00 0.08 0.00 0.00 59.36 59.79 2qbe h GLU 177 Cb 0.85 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2qbe h GLU 177 CO -0.24 0.60 -0.02 0.87 -2.18 0.00 0.00 179.01 178.04 2qbe h LYS 178 N 0.53 -0.05 -0.94 1.92 1.57 0.63 0.47 116.57 120.70 2qbe h LYS 178 Ca 0.11 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.13 2qbe h LYS 178 Cb 0.38 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.64 2qbe h LYS 178 CO 0.02 0.29 0.64 -0.22 -0.57 0.00 0.00 179.45 179.60 2qbe h LYS 179 N -0.99 0.26 0.06 3.15 1.63 -1.39 -1.06 116.57 118.23 2qbe h LYS 179 Ca -0.01 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2qbe h LYS 179 Cb 0.36 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 2qbe h LYS 179 CO 0.01 0.17 -0.03 1.49 -3.45 0.00 0.00 179.45 177.64 2qbe h GLU 180 N 0.27 -0.08 -1.39 1.90 4.22 -1.23 -1.37 114.58 116.90 2qbe h GLU 180 Ca 0.49 0.01 0.41 0.00 0.08 0.00 0.00 59.36 60.34 2qbe h GLU 180 Cb 1.45 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.64 2qbe h GLU 180 CO -0.14 0.26 0.97 -0.56 -2.18 0.00 0.00 179.01 177.35 2qbe h GLN 181 N -0.99 0.07 0.00 1.92 -0.00 0.72 0.66 115.11 117.48 2qbe h GLN 181 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2qbe h GLN 181 Cb 0.37 -0.02 0.00 0.00 -0.00 0.00 0.00 27.48 27.83 2qbe h GLN 181 CO 0.01 0.05 -0.12 0.93 -0.00 0.00 0.00 178.83 179.70 2qbe h GLU 182 N 0.07 0.00 0.00 0.06 5.08 -1.30 -1.35 114.58 117.15 2qbe h GLU 182 Ca 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.07 2qbe h GLU 182 Cb 2.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.84 2qbe h GLU 182 CO -0.13 0.00 0.14 1.51 -1.00 0.00 0.00 179.01 179.53 2qbe n ILE 183 N -4.08 0.95 0.29 3.13 3.06 -0.52 0.31 119.36 122.50 2qbe n ILE 183 Ca -0.02 0.70 0.06 0.00 -2.50 0.00 0.00 62.75 60.99 2qbe n ILE 183 Cb 0.06 -1.70 -0.08 0.00 0.54 0.00 0.00 39.64 38.46 2qbe n ILE 183 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 2qbe n LEU 184 N -2.04 0.29 0.00 9.51 0.00 0.22 -4.93 117.00 120.05 2qbe n LEU 184 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 56.01 55.73 2qbe n LEU 184 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.58 2qbe n LEU 184 CO 0.07 0.07 0.19 0.61 0.00 0.00 0.00 177.39 178.32