#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba n ARG 2 N 0.00 -1.16 -1.65 3.17 0.63 -1.26 -4.91 116.66 111.48 2qba n ARG 2 Ca 0.00 1.08 -0.51 0.00 -0.92 0.00 0.00 57.85 57.50 2qba n ARG 2 Cb 0.00 -5.28 -0.05 0.00 0.45 0.00 0.00 32.46 27.57 2qba n ARG 2 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2qba n HIS 3 N -2.51 1.97 -1.25 -0.14 8.25 -1.26 -1.22 115.22 119.05 2qba n HIS 3 Ca -0.16 0.41 -0.09 0.00 -0.26 0.00 0.00 57.72 57.62 2qba n HIS 3 Cb 0.54 -2.47 -0.04 0.00 1.12 0.00 0.00 29.99 29.15 2qba n HIS 3 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2qba n ARG 4 N 4.02 -1.46 -2.98 -0.41 5.12 -1.26 -4.96 116.66 114.73 2qba n ARG 4 Ca 0.20 0.76 -0.41 0.00 -1.93 0.00 0.00 57.85 56.47 2qba n ARG 4 Cb 0.22 -5.02 -0.05 0.00 -1.16 0.00 0.00 32.46 26.45 2qba n ARG 4 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2qba s LYS 5 N -2.57 4.07 0.35 5.56 1.02 -0.36 -5.05 119.74 122.76 2qba s LYS 5 Ca 0.00 0.67 -0.06 0.00 0.02 0.00 0.00 55.97 56.61 2qba s LYS 5 Cb 0.00 -3.68 -0.05 0.00 -0.52 0.00 0.00 37.83 33.58 2qba s LYS 5 CO 0.00 -0.55 0.64 0.45 -0.92 0.00 0.00 175.35 174.97 2qba s SER 6 N 1.49 6.43 0.00 2.83 0.15 -1.26 -4.99 113.70 118.35 2qba s SER 6 Ca 0.31 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.79 2qba s SER 6 Cb -0.15 -2.19 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2qba s SER 6 CO 0.10 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2qba n GLY 7 N -1.29 2.52 3.63 9.45 0.00 -1.26 -5.09 105.19 113.16 2qba n GLY 7 Ca -0.01 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 2qba n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qba s ARG 8 N -5.02 2.59 0.00 1.61 3.52 -1.26 -5.02 118.95 115.37 2qba s ARG 8 Ca 0.00 -0.72 0.12 0.00 -0.13 0.00 0.00 55.73 55.00 2qba s ARG 8 Cb 0.00 -2.54 0.03 0.00 -1.56 0.00 0.00 34.95 30.88 2qba s ARG 8 CO 0.00 0.60 0.77 0.00 -0.81 0.00 0.00 175.30 175.85 2qba n GLN 9 N 1.36 1.50 0.00 5.12 10.64 -1.26 -5.01 117.38 129.74 2qba n GLN 9 Ca -0.15 -0.88 0.00 0.00 -1.83 0.00 0.00 57.00 54.15 2qba n GLN 9 Cb 0.52 -1.17 0.00 0.00 -0.86 0.00 0.00 30.24 28.73 2qba n GLN 9 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2qba n LEU 10 N 0.12 0.00 0.00 2.61 7.99 -1.26 -3.09 117.00 123.37 2qba n LEU 10 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 2qba n LEU 10 Cb 0.27 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 2qba n LEU 10 CO 0.12 0.00 0.00 0.59 -1.51 0.00 0.00 177.39 176.59 2qba n ASN 11 N 0.67 0.00 0.00 -1.43 5.03 -1.26 -5.18 115.26 113.09 2qba n ASN 11 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2qba n ASN 11 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2qba n ASN 11 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 2qba n ARG 12 N 0.00 -1.70 -0.53 3.52 3.00 -1.18 -5.12 116.66 114.65 2qba n ARG 12 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.56 2qba n ARG 12 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 32.46 32.70 2qba n ARG 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2qba n ASN 13 N 0.00 -1.75 -0.61 6.15 0.23 -1.26 -4.87 115.26 113.15 2qba n ASN 13 Ca 0.00 -0.11 0.02 0.00 -0.53 0.00 0.00 54.58 53.96 2qba n ASN 13 Cb 0.00 -1.22 0.08 0.00 -2.08 0.00 0.00 39.78 36.56 2qba n ASN 13 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2qba n SER 14 N -4.26 1.59 -0.00 0.53 2.88 -1.26 -2.79 113.62 110.30 2qba n SER 14 Ca 0.03 -2.13 0.04 0.00 -1.33 0.00 0.00 58.87 55.48 2qba n SER 14 Cb 0.55 -0.38 -0.06 0.00 -0.75 0.00 0.00 64.21 63.58 2qba n SER 14 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2qba n SER 15 N 0.07 2.81 -0.05 -3.46 2.88 -1.26 -4.12 113.62 110.50 2qba n SER 15 Ca 0.06 -0.10 -0.01 0.00 -1.33 0.00 0.00 58.87 57.48 2qba n SER 15 Cb 0.34 1.29 -0.00 0.00 -0.75 0.00 0.00 64.21 65.09 2qba n SER 15 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2qba h HIS 16 N 0.00 0.00 -0.85 0.66 2.76 -1.87 -3.35 115.15 112.50 2qba h HIS 16 Ca 0.00 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.30 2qba h HIS 16 Cb 0.32 0.00 -0.09 0.00 1.55 0.00 0.00 27.41 29.19 2qba h HIS 16 CO 0.00 0.00 0.46 0.00 -1.30 0.00 0.00 177.93 177.09 2qba h ARG 17 N -0.82 0.68 -1.53 5.26 3.08 -1.84 0.67 114.38 119.89 2qba h ARG 17 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2qba h ARG 17 Cb 0.11 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2qba h ARG 17 CO 0.00 0.45 0.00 0.94 -1.07 0.00 0.00 179.97 180.29 2qba n GLN 18 N -4.81 0.56 0.14 0.04 0.00 -1.26 -2.08 117.38 109.97 2qba n GLN 18 Ca 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.16 2qba n GLN 18 Cb 0.39 -1.22 0.00 0.00 0.00 0.00 0.00 30.24 29.41 2qba n GLN 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qba n ALA 19 N 0.89 0.12 0.26 1.69 0.00 0.91 -4.81 120.51 119.57 2qba n ALA 19 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2qba n ALA 19 Cb 0.28 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.60 2qba n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qba h MET 20 N 0.00 0.00 0.00 0.00 -0.00 0.17 1.03 114.93 116.13 2qba h MET 20 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.67 2qba h MET 20 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2qba h MET 20 CO 0.00 0.00 -0.28 0.74 -0.00 0.00 0.00 176.91 177.37 2qba h PHE 21 N 0.00 0.00 0.22 -0.10 0.05 -1.62 -2.42 116.94 113.07 2qba h PHE 21 Ca 0.04 0.00 -0.32 0.00 3.82 0.00 0.00 57.97 61.50 2qba h PHE 21 Cb 0.21 0.00 0.03 0.00 2.00 0.00 0.00 35.95 38.19 2qba h PHE 21 CO 0.00 0.15 -1.41 -0.09 -0.18 0.00 0.00 178.31 176.78 2qba h ARG 22 N 0.00 0.53 -0.00 1.51 2.43 0.77 0.12 114.38 119.74 2qba h ARG 22 Ca -0.01 -0.86 0.00 0.00 -0.81 0.00 0.00 59.98 58.31 2qba h ARG 22 Cb 1.12 0.31 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 2qba h ARG 22 CO 0.02 1.41 -0.01 0.09 -1.51 0.00 0.00 179.97 179.97 2qba n ASN 23 N -3.71 0.01 -0.12 -3.80 3.02 0.29 -2.20 115.26 108.75 2qba n ASN 23 Ca -0.15 0.32 -0.26 0.00 -0.03 0.00 0.00 54.58 54.45 2qba n ASN 23 Cb 1.07 -0.43 -0.11 0.00 -0.61 0.00 0.00 39.78 39.71 2qba n ASN 23 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 2qba n MET 24 N -1.44 0.61 -0.23 3.52 1.56 -0.91 -3.62 117.12 116.60 2qba n MET 24 Ca 0.09 0.29 -0.06 0.00 -0.27 0.00 0.00 57.70 57.75 2qba n MET 24 Cb 0.31 -1.55 0.04 0.00 2.15 0.00 0.00 33.22 34.18 2qba n MET 24 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2qba h ALA 25 N -0.67 0.83 0.00 -5.12 0.00 -0.82 0.24 119.26 113.72 2qba h ALA 25 Ca -0.61 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 2qba h ALA 25 Cb 1.64 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 2qba h ALA 25 CO -0.30 0.38 -0.12 0.78 0.00 0.00 0.00 179.25 179.99 2qba h GLY 26 N 0.89 0.00 1.26 0.00 0.00 -1.65 -2.47 103.07 101.10 2qba h GLY 26 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.24 2qba h GLY 26 CO -0.03 0.00 -1.51 0.23 0.00 0.00 0.00 176.54 175.23 2qba h SER 27 N 0.00 0.53 0.20 0.19 0.87 -1.28 -2.96 113.55 111.10 2qba h SER 27 Ca -0.00 -0.67 -0.01 0.00 -1.23 0.00 0.00 61.79 59.89 2qba h SER 27 Cb 0.44 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 62.22 2qba h SER 27 CO 0.02 1.54 -0.02 0.25 -0.53 0.00 0.00 176.83 178.09 2qba h LEU 28 N 0.09 0.00 0.06 2.23 7.12 -0.15 -0.13 115.31 124.53 2qba h LEU 28 Ca -0.24 0.00 -0.27 0.00 0.13 0.00 0.00 57.88 57.49 2qba h LEU 28 Cb 2.05 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 42.16 2qba h LEU 28 CO 0.20 0.02 -1.40 0.58 -0.13 0.00 0.00 178.44 177.71 2qba h VAL 29 N 0.00 1.27 -0.21 1.05 2.07 -1.48 -0.15 116.25 118.80 2qba h VAL 29 Ca -0.00 -2.97 -0.04 0.00 0.82 0.00 0.00 66.70 64.51 2qba h VAL 29 Cb 0.13 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 2qba h VAL 29 CO 0.00 0.80 -0.04 0.03 0.02 0.00 0.00 177.57 178.38 2qba h ARG 30 N 0.03 0.39 0.00 1.57 3.08 -0.87 -3.35 114.38 115.23 2qba h ARG 30 Ca -0.18 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.72 2qba h ARG 30 Cb 1.94 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.97 2qba h ARG 30 CO 0.14 0.63 -1.10 0.72 -1.07 0.00 0.00 179.97 179.29 2qba n HIS 31 N -4.63 0.00 -0.75 3.04 8.25 -0.83 -4.99 115.22 115.32 2qba n HIS 31 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2qba n HIS 31 Cb 0.27 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.23 2qba n HIS 31 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2qba n GLU 32 N -1.63 -0.03 -3.77 -0.41 1.02 -0.07 -4.93 120.64 110.82 2qba n GLU 32 Ca -0.00 0.01 -0.13 0.00 -0.02 0.00 0.00 57.16 57.02 2qba n GLU 32 Cb 0.24 -3.55 -0.12 0.00 -0.02 0.00 0.00 31.44 27.99 2qba n GLU 32 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2qba s ILE 33 N -2.41 -0.01 -0.10 -3.67 -5.25 -1.26 -1.09 121.20 107.42 2qba s ILE 33 Ca 0.00 0.02 -0.14 0.00 -0.99 0.00 0.00 60.65 59.55 2qba s ILE 33 Cb 0.00 -0.39 0.03 0.00 2.95 0.00 0.00 42.46 45.05 2qba s ILE 33 CO 0.00 0.01 0.36 -0.63 -1.79 0.00 0.00 174.94 172.89 2qba s ILE 34 N 0.34 0.02 -0.87 8.37 1.01 0.23 -4.92 121.20 125.38 2qba s ILE 34 Ca -0.02 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.50 2qba s ILE 34 Cb -0.03 -0.55 0.28 0.00 0.01 0.00 0.00 42.46 42.17 2qba s ILE 34 CO -0.01 -0.08 1.14 2.29 0.00 0.00 0.00 174.94 178.28 2qba n LYS 35 N 2.38 3.56 -0.82 2.79 -0.00 -1.26 -0.76 118.16 124.05 2qba n LYS 35 Ca -0.16 -4.62 0.00 0.00 -0.00 0.00 0.00 58.31 53.54 2qba n LYS 35 Cb 0.57 -2.39 0.00 0.00 -0.00 0.00 0.00 35.03 33.21 2qba n LYS 35 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 2qba n THR 36 N 1.10 0.00 -2.43 0.58 5.66 -1.26 -4.63 114.28 113.29 2qba n THR 36 Ca 0.28 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.89 2qba n THR 36 Cb 0.37 -1.05 -0.03 0.00 -1.55 0.00 0.00 70.33 68.07 2qba n THR 36 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2qba s THR 37 N 1.05 3.43 0.13 1.09 2.01 -1.26 0.27 115.64 122.36 2qba s THR 37 Ca 0.00 1.26 -0.29 0.00 0.31 0.00 0.00 61.69 62.97 2qba s THR 37 Cb 0.00 -3.74 -0.06 0.00 0.01 0.00 0.00 72.50 68.71 2qba s THR 37 CO 0.00 0.17 1.58 0.25 -0.69 0.00 0.00 174.62 175.94 2qba h LEU 38 N 3.07 -1.30 -0.32 4.42 5.85 -1.43 0.36 115.31 125.95 2qba h LEU 38 Ca -0.48 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.45 2qba h LEU 38 Cb 1.22 0.53 -0.04 0.00 0.37 0.00 0.00 40.66 42.74 2qba h LEU 38 CO 0.64 -0.43 0.09 -0.65 -0.34 0.00 0.00 178.44 177.75 2qba h PRO 39 N -0.50 0.20 -0.25 5.25 0.11 -1.93 0.12 132.00 135.00 2qba h PRO 39 Ca 0.07 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.24 2qba h PRO 39 Cb 0.63 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 2qba h PRO 39 CO -0.38 0.13 0.20 0.87 -0.21 0.00 0.00 178.00 178.61 2qba h LYS 40 N 0.21 0.00 0.02 1.05 1.57 -1.82 -1.41 116.57 116.20 2qba h LYS 40 Ca 0.15 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2qba h LYS 40 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2qba h LYS 40 CO -0.18 0.00 -0.01 0.00 -0.57 0.00 0.00 179.45 178.69 2qba h ALA 41 N 1.83 -0.03 0.00 3.86 0.00 0.53 0.19 119.26 125.64 2qba h ALA 41 Ca 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qba h ALA 41 Cb 0.52 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2qba h ALA 41 CO -0.00 -0.03 0.20 1.63 0.00 0.00 0.00 179.25 181.05 2qba n LYS 42 N -4.75 0.04 -0.11 0.00 5.02 0.27 0.36 118.16 118.99 2qba n LYS 42 Ca -0.03 0.43 -0.20 0.00 -2.02 0.00 0.00 58.31 56.49 2qba n LYS 42 Cb 0.15 -1.83 -0.08 0.00 -0.02 0.00 0.00 35.03 33.25 2qba n LYS 42 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2qba n GLU 43 N -1.63 0.55 -0.06 1.97 -0.58 -0.56 -4.18 120.64 116.14 2qba n GLU 43 Ca -0.00 0.39 0.24 0.00 -0.42 0.00 0.00 57.16 57.37 2qba n GLU 43 Cb 0.21 -1.59 0.72 0.00 -0.57 0.00 0.00 31.44 30.21 2qba n GLU 43 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2qba h LEU 44 N -1.00 0.00 0.08 -4.62 5.85 0.17 -1.10 115.31 114.68 2qba h LEU 44 Ca -0.36 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.39 2qba h LEU 44 Cb 1.23 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2qba h LEU 44 CO -0.22 0.00 -0.43 -0.09 -0.34 0.00 0.00 178.44 177.36 2qba h ARG 45 N 0.00 -0.62 -2.00 1.25 2.43 -0.26 -2.10 114.38 113.08 2qba h ARG 45 Ca 0.32 0.04 -0.24 0.00 -0.81 0.00 0.00 59.98 59.29 2qba h ARG 45 Cb 1.40 0.14 -0.09 0.00 -0.42 0.00 0.00 29.97 31.00 2qba h ARG 45 CO -0.00 -0.41 -0.26 2.89 -1.51 0.00 0.00 179.97 180.68 2qba n ARG 46 N -5.46 2.07 0.08 0.20 1.85 -0.42 -3.13 116.66 111.85 2qba n ARG 46 Ca -0.07 -1.20 0.00 0.00 -1.00 0.00 0.00 57.85 55.58 2qba n ARG 46 Cb 0.38 -2.03 0.00 0.00 -1.05 0.00 0.00 32.46 29.77 2qba n ARG 46 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2qba n VAL 47 N 2.27 0.00 -0.03 8.89 0.31 -0.81 -4.89 118.33 124.06 2qba n VAL 47 Ca 0.44 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.65 2qba n VAL 47 Cb 0.86 -0.41 -0.10 0.00 -0.91 0.00 0.00 33.84 33.29 2qba n VAL 47 CO 0.00 0.00 0.00 -0.37 -1.32 0.00 0.00 176.83 175.14 2qba h VAL 48 N 0.00 1.35 -0.93 2.52 -1.51 -1.54 -3.12 116.25 113.03 2qba h VAL 48 Ca 0.00 -1.74 0.26 0.00 -1.23 0.00 0.00 66.70 63.99 2qba h VAL 48 Cb 0.00 2.43 -0.16 0.00 -2.13 0.00 0.00 31.29 31.42 2qba h VAL 48 CO 0.00 0.41 0.14 -0.33 -1.23 0.00 0.00 177.57 176.56 2qba h GLU 49 N -0.87 0.08 -0.42 5.19 5.08 -1.80 1.18 114.58 123.02 2qba h GLU 49 Ca -0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2qba h GLU 49 Cb 0.71 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 2qba h GLU 49 CO 0.01 0.06 0.26 -1.35 -1.00 0.00 0.00 179.01 176.98 2qba h PRO 50 N 0.09 0.57 -0.70 2.33 0.11 -1.81 0.71 132.00 133.29 2qba h PRO 50 Ca 0.59 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.70 2qba h PRO 50 Cb 1.23 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 2qba h PRO 50 CO -0.79 0.41 0.41 -0.07 -0.21 0.00 0.00 178.00 177.75 2qba h LEU 51 N 0.56 0.64 -0.28 2.35 4.07 0.12 0.28 115.31 123.06 2qba h LEU 51 Ca 0.15 0.02 -0.07 0.00 0.08 0.00 0.00 57.88 58.06 2qba h LEU 51 Cb -0.02 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.60 2qba h LEU 51 CO -0.03 0.42 -0.08 0.40 -1.08 0.00 0.00 178.44 178.07 2qba h ILE 52 N 0.78 1.29 -0.73 1.22 2.04 0.34 0.52 117.51 122.96 2qba h ILE 52 Ca 0.30 -1.13 0.16 0.00 1.00 0.00 0.00 64.86 65.19 2qba h ILE 52 Cb 0.13 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.60 2qba h ILE 52 CO -0.16 0.36 0.49 0.74 0.00 0.00 0.00 178.15 179.59 2qba h THR 53 N 0.31 0.77 0.00 -0.27 2.02 0.13 0.94 112.91 116.80 2qba h THR 53 Ca 0.07 -0.11 -0.19 0.00 0.77 0.00 0.00 66.41 66.95 2qba h THR 53 Cb 0.57 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 2qba h THR 53 CO 0.03 0.06 -0.92 0.25 0.37 0.00 0.00 175.52 175.31 2qba h LEU 54 N 0.32 0.00 -1.81 2.58 5.85 0.31 -3.16 115.31 119.41 2qba h LEU 54 Ca 0.36 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.08 2qba h LEU 54 Cb 0.94 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.97 2qba h LEU 54 CO -0.10 0.91 0.00 0.00 -0.34 0.00 0.00 178.44 178.92 2qba h ALA 55 N 1.09 1.00 -0.16 1.25 0.00 0.60 -2.90 119.26 120.14 2qba h ALA 55 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.94 2qba h ALA 55 Cb 1.71 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 2qba h ALA 55 CO 0.12 0.00 -0.14 0.87 0.00 0.00 0.00 179.25 180.10 2qba h LYS 56 N 0.00 -0.15 -6.13 0.00 1.79 -1.30 -3.33 116.57 107.46 2qba h LYS 56 Ca 0.00 0.01 -0.59 0.00 -2.18 0.00 0.00 60.65 57.89 2qba h LYS 56 Cb 0.16 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 30.80 2qba h LYS 56 CO 0.00 -0.10 -0.24 0.99 -1.08 0.00 0.00 179.45 179.02 2qba s THR 57 N -6.16 5.09 0.00 -0.16 2.01 -1.10 -4.91 115.64 110.41 2qba s THR 57 Ca -0.14 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.30 2qba s THR 57 Cb 0.11 -3.65 0.00 0.00 0.01 0.00 0.00 72.50 68.97 2qba s THR 57 CO 0.68 0.27 0.00 -0.67 -0.69 0.00 0.00 174.62 174.21 2qba n ASP 58 N 0.84 0.00 -0.06 3.53 4.64 -1.26 -4.84 116.55 119.40 2qba n ASP 58 Ca -0.07 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.34 2qba n ASP 58 Cb 0.52 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.60 2qba n ASP 58 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 2qba n SER 59 N 0.00 -1.13 -2.83 1.67 3.41 -1.26 -3.96 113.62 109.52 2qba n SER 59 Ca 0.00 0.05 -0.18 0.00 -0.26 0.00 0.00 58.87 58.48 2qba n SER 59 Cb 0.00 0.78 -0.05 0.00 -0.26 0.00 0.00 64.21 64.68 2qba n SER 59 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2qba n VAL 60 N -1.08 2.41 0.12 -3.33 0.31 -1.26 -2.82 118.33 112.67 2qba n VAL 60 Ca 0.00 -1.37 0.00 0.00 -0.01 0.00 0.00 64.34 62.96 2qba n VAL 60 Cb 0.00 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 30.87 2qba n VAL 60 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qba n ALA 61 N 3.60 0.63 0.07 3.52 0.00 -1.26 -4.73 120.51 122.33 2qba n ALA 61 Ca 0.41 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.90 2qba n ALA 61 Cb 0.30 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.00 2qba n ALA 61 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qba n ASN 62 N -3.00 0.23 -0.07 0.00 5.03 -1.18 0.52 115.26 116.79 2qba n ASN 62 Ca 0.00 0.61 -0.17 0.00 0.87 0.00 0.00 54.58 55.89 2qba n ASN 62 Cb 0.00 -0.64 -0.13 0.00 -1.02 0.00 0.00 39.78 37.99 2qba n ASN 62 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 2qba h ARG 63 N 0.00 0.02 -0.19 3.52 9.65 -1.73 -2.67 114.38 122.98 2qba h ARG 63 Ca 0.00 -0.04 -0.02 0.00 -1.10 0.00 0.00 59.98 58.82 2qba h ARG 63 Cb 0.00 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.59 2qba h ARG 63 CO 0.00 1.02 0.03 0.00 2.80 0.00 0.00 179.97 183.82 2qba h ARG 64 N -0.94 0.31 0.00 0.20 3.08 -0.75 0.11 114.38 116.39 2qba h ARG 64 Ca -0.14 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 2qba h ARG 64 Cb 1.17 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 2qba h ARG 64 CO -0.06 0.47 -0.01 1.25 -1.07 0.00 0.00 179.97 180.55 2qba h LEU 65 N 0.10 0.00 -0.48 3.04 5.85 -0.09 0.57 115.31 124.30 2qba h LEU 65 Ca 0.06 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.62 2qba h LEU 65 Cb 0.31 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2qba h LEU 65 CO 0.00 0.01 -0.75 0.00 -0.34 0.00 0.00 178.44 177.36 2qba h ALA 66 N 1.99 0.75 0.00 1.25 0.00 -0.93 -2.77 119.26 119.55 2qba h ALA 66 Ca -0.00 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 54.12 2qba h ALA 66 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2qba h ALA 66 CO 0.00 0.94 -0.50 0.35 0.00 0.00 0.00 179.25 180.04 2qba h PHE 67 N 0.00 0.00 0.00 0.00 3.57 0.25 -3.32 116.94 117.44 2qba h PHE 67 Ca -0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2qba h PHE 67 Cb 1.34 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.08 2qba h PHE 67 CO 0.00 0.50 0.00 0.00 -2.23 0.00 0.00 178.31 176.58 2qba n ALA 68 N -2.29 -0.05 -1.55 2.41 0.00 0.35 -3.85 120.51 115.53 2qba n ALA 68 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2qba n ALA 68 Cb 0.63 0.10 0.05 0.00 0.00 0.00 0.00 19.45 20.23 2qba n ALA 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2qba s ARG 69 N -1.33 2.76 -0.38 0.00 3.03 -1.23 -3.95 118.95 117.85 2qba s ARG 69 Ca 0.00 1.56 -0.21 0.00 2.03 0.00 0.00 55.73 59.11 2qba s ARG 69 Cb 0.00 -1.93 0.03 0.00 -1.03 0.00 0.00 34.95 32.02 2qba s ARG 69 CO 0.00 -1.31 0.50 0.25 -1.13 0.00 0.00 175.30 173.61 2qba n THR 70 N -2.21 -7.98 0.46 4.99 -2.24 -1.26 -4.71 114.28 101.33 2qba n THR 70 Ca 0.12 0.70 0.00 0.00 -2.27 0.00 0.00 64.05 62.60 2qba n THR 70 Cb 0.51 -5.60 0.01 0.00 -2.10 0.00 0.00 70.33 63.15 2qba n THR 70 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2qba n ARG 71 N 0.00 0.23 -2.88 -0.78 3.00 -1.25 -4.61 116.66 110.38 2qba n ARG 71 Ca 0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.45 2qba n ARG 71 Cb 0.49 -1.03 -0.04 0.00 0.00 0.00 0.00 32.46 31.88 2qba n ARG 71 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2qba s ASP 72 N -1.78 6.54 0.14 6.15 3.68 -1.26 -4.88 116.67 125.26 2qba s ASP 72 Ca 0.01 0.27 0.26 0.00 2.13 0.00 0.00 52.55 55.21 2qba s ASP 72 Cb 0.00 -2.43 0.95 0.00 -1.45 0.00 0.00 42.92 39.99 2qba s ASP 72 CO 0.00 -0.89 1.79 -3.20 0.13 0.00 0.00 175.17 173.01 2qba n ASN 73 N 6.79 0.50 0.17 -0.34 5.15 -1.26 -2.65 115.26 123.61 2qba n ASN 73 Ca 0.05 0.56 0.08 0.00 -0.60 0.00 0.00 54.58 54.67 2qba n ASN 73 Cb 0.48 -0.69 0.09 0.00 -0.53 0.00 0.00 39.78 39.13 2qba n ASN 73 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2qba h GLU 74 N 0.00 0.00 0.00 1.20 4.81 -1.96 -3.27 114.58 115.36 2qba h GLU 74 Ca 0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 2qba h GLU 74 Cb 0.59 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 2qba h GLU 74 CO 0.00 0.20 -1.81 0.44 -0.73 0.00 0.00 179.01 177.11 2qba n ILE 75 N -3.10 1.31 0.29 2.32 -6.64 -1.11 -3.35 119.36 109.08 2qba n ILE 75 Ca 0.02 -0.76 0.17 0.00 -1.77 0.00 0.00 62.75 60.41 2qba n ILE 75 Cb 0.62 -0.73 0.81 0.00 -1.44 0.00 0.00 39.64 38.91 2qba n ILE 75 CO 0.00 0.00 0.00 -0.37 -1.77 0.00 0.00 176.55 174.41 2qba h VAL 76 N 0.00 0.00 0.11 7.28 -1.51 -1.56 0.28 116.25 120.84 2qba h VAL 76 Ca -0.30 -0.16 -0.22 0.00 -1.23 0.00 0.00 66.70 64.79 2qba h VAL 76 Cb 1.87 0.99 0.00 0.00 -2.13 0.00 0.00 31.29 32.02 2qba h VAL 76 CO 0.05 0.00 -1.09 0.00 -1.23 0.00 0.00 177.57 175.30 2qba h ALA 77 N 2.05 0.07 -0.47 5.19 0.00 -1.63 -3.21 119.26 121.26 2qba h ALA 77 Ca 0.00 -0.92 0.07 0.00 0.00 0.00 0.00 54.91 54.07 2qba h ALA 77 Cb 0.19 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2qba h ALA 77 CO 0.00 0.60 0.32 -0.22 0.00 0.00 0.00 179.25 179.95 2qba h LYS 78 N -0.42 0.32 -7.17 0.00 1.63 -1.08 -3.18 116.57 106.66 2qba h LYS 78 Ca -0.23 -0.02 -0.50 0.00 -0.85 0.00 0.00 60.65 59.06 2qba h LYS 78 Cb 1.64 -0.07 0.04 0.00 -0.60 0.00 0.00 32.23 33.24 2qba h LYS 78 CO 0.07 0.21 0.30 -0.51 -3.45 0.00 0.00 179.45 176.07 2qba s LEU 79 N -9.26 3.47 0.00 5.20 1.43 0.80 0.07 118.68 120.40 2qba s LEU 79 Ca -0.07 1.29 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 2qba s LEU 79 Cb 0.19 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 42.13 2qba s LEU 79 CO 0.73 -0.69 0.00 0.49 0.23 0.00 0.00 176.35 177.11 2qba n PHE 80 N -2.25 0.00 0.00 0.29 3.72 -1.25 -4.36 117.46 113.60 2qba n PHE 80 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2qba n PHE 80 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 2qba n PHE 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2qba n ASN 81 N 2.20 0.00 0.00 4.37 4.13 -1.20 -3.71 115.26 121.04 2qba n ASN 81 Ca 0.00 0.05 0.00 0.00 1.68 0.00 0.00 54.58 56.31 2qba n ASN 81 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 2qba n ASN 81 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2qba n GLU 82 N -0.19 0.00 -0.07 3.52 1.02 -0.94 -3.45 120.64 120.54 2qba n GLU 82 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2qba n GLU 82 Cb 0.00 -0.23 0.00 0.00 -0.02 0.00 0.00 31.44 31.19 2qba n GLU 82 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2qba n LEU 83 N 0.00 1.62 0.00 -4.62 -0.00 0.11 -3.81 117.00 110.31 2qba n LEU 83 Ca 0.00 -0.78 0.00 0.00 -0.00 0.00 0.00 56.01 55.23 2qba n LEU 83 Cb 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.12 2qba n LEU 83 CO 0.00 0.29 0.00 0.61 -0.00 0.00 0.00 177.39 178.29 2qba n GLY 84 N 1.09 0.10 0.23 1.47 0.00 -1.22 -4.47 105.19 102.38 2qba n GLY 84 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 2qba n GLY 84 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2qba h PRO 85 N 0.00 0.00 -1.34 1.61 0.11 -1.66 -3.03 132.00 127.69 2qba h PRO 85 Ca 0.00 0.00 0.42 0.00 0.11 0.00 0.00 66.00 66.53 2qba h PRO 85 Cb 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.00 2qba h PRO 85 CO 0.00 0.00 0.89 0.00 -0.21 0.00 0.00 178.00 178.68 2qba h ARG 86 N 0.00 0.11 0.00 1.05 2.47 -1.78 0.72 114.38 116.94 2qba h ARG 86 Ca 0.00 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2qba h ARG 86 Cb 0.31 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.55 2qba h ARG 86 CO 0.00 0.07 -0.45 1.19 0.56 0.00 0.00 179.97 181.34 2qba n PHE 87 N -4.56 0.00 0.27 3.04 3.72 -1.15 -4.76 117.46 114.03 2qba n PHE 87 Ca 0.35 -1.11 0.02 0.00 -0.05 0.00 0.00 57.45 56.67 2qba n PHE 87 Cb 1.40 -0.19 0.14 0.00 -0.94 0.00 0.00 39.48 39.88 2qba n PHE 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2qba n ALA 88 N -0.88 1.57 -0.17 4.37 0.00 0.25 -1.38 120.51 124.27 2qba n ALA 88 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2qba n ALA 88 Cb 0.75 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2qba n ALA 88 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qba n SER 89 N -1.12 0.06 -4.77 0.00 3.41 -1.26 -5.08 113.62 104.86 2qba n SER 89 Ca 0.03 -0.32 -0.37 0.00 -0.26 0.00 0.00 58.87 57.95 2qba n SER 89 Cb 0.03 0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 64.15 2qba n SER 89 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2qba s ARG 90 N -0.19 3.84 0.43 4.33 6.06 -0.48 -4.94 118.95 128.01 2qba s ARG 90 Ca 0.00 1.78 0.23 0.00 -2.50 0.00 0.00 55.73 55.24 2qba s ARG 90 Cb 0.00 -2.47 0.47 0.00 0.06 0.00 0.00 34.95 33.01 2qba s ARG 90 CO 0.00 -0.48 1.65 0.00 -2.50 0.00 0.00 175.30 173.96 2qba h ALA 91 N 2.20 0.95 0.00 6.12 0.00 -1.98 -3.47 119.26 123.09 2qba h ALA 91 Ca -0.49 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2qba h ALA 91 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2qba h ALA 91 CO 0.61 0.11 0.00 0.41 0.00 0.00 0.00 179.25 180.38 2qba n GLY 92 N 0.92 0.50 2.23 0.00 0.00 -1.26 -5.02 105.19 102.55 2qba n GLY 92 Ca 0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 2qba n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qba n GLY 93 N 0.00 2.10 0.13 -0.02 0.00 -1.26 -4.35 105.19 101.79 2qba n GLY 93 Ca 0.00 -0.66 0.12 0.00 0.00 0.00 0.00 46.02 45.47 2qba n GLY 93 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qba n TYR 94 N 2.74 0.79 -4.34 1.61 4.01 -1.26 -4.55 117.16 116.15 2qba n TYR 94 Ca 0.24 0.32 -0.27 0.00 -0.16 0.00 0.00 57.90 58.02 2qba n TYR 94 Cb 0.50 -1.01 -0.11 0.00 -0.31 0.00 0.00 39.34 38.41 2qba n TYR 94 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2qba s THR 95 N -3.33 2.80 0.32 -0.72 -1.32 -1.26 -0.32 115.64 111.80 2qba s THR 95 Ca 0.04 -1.78 0.04 0.00 -1.21 0.00 0.00 61.69 58.78 2qba s THR 95 Cb 0.09 -2.35 -0.06 0.00 -1.51 0.00 0.00 72.50 68.66 2qba s THR 95 CO 0.37 -0.07 0.04 -0.60 -2.21 0.00 0.00 174.62 172.15 2qba s ARG 96 N -2.64 1.64 0.00 7.08 6.06 0.11 -4.73 118.95 126.47 2qba s ARG 96 Ca 0.22 -1.90 0.00 0.00 -2.50 0.00 0.00 55.73 51.55 2qba s ARG 96 Cb -0.09 -0.91 0.00 0.00 0.06 0.00 0.00 34.95 34.01 2qba s ARG 96 CO 0.12 -0.16 0.00 0.44 -2.50 0.00 0.00 175.30 173.21 2qba n ILE 97 N -0.67 0.00 -3.05 4.11 -6.64 -1.25 -1.89 119.36 109.96 2qba n ILE 97 Ca -0.03 0.00 -0.28 0.00 -1.77 0.00 0.00 62.75 60.67 2qba n ILE 97 Cb 0.66 -0.63 0.02 0.00 -1.44 0.00 0.00 39.64 38.26 2qba n ILE 97 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 2qba n LEU 98 N -1.51 -1.76 -4.60 7.28 7.99 -1.22 0.83 117.00 124.02 2qba n LEU 98 Ca 0.00 -0.27 -0.30 0.00 -0.01 0.00 0.00 56.01 55.43 2qba n LEU 98 Cb 0.32 -1.21 0.20 0.00 -0.11 0.00 0.00 43.42 42.62 2qba n LEU 98 CO 0.00 0.08 0.61 -0.54 -1.51 0.00 0.00 177.39 176.03 2qba s LYS 99 N -2.41 0.23 0.00 3.23 1.02 -1.26 -2.07 119.74 118.48 2qba s LYS 99 Ca 0.23 1.15 0.00 0.00 0.02 0.00 0.00 55.97 57.37 2qba s LYS 99 Cb -0.02 -1.66 0.00 0.00 -0.52 0.00 0.00 37.83 35.62 2qba s LYS 99 CO 0.67 -3.04 0.00 0.00 -0.92 0.00 0.00 175.35 172.06 2qba n GLY 101 N -0.68 -0.45 1.85 0.00 0.00 0.10 -4.80 105.19 101.22 2qba n GLY 101 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 2qba n GLY 101 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qba n PHE 102 N -1.41 -1.90 -3.63 1.61 3.01 -1.06 -4.27 117.46 109.81 2qba n PHE 102 Ca 0.00 1.12 -0.21 0.00 1.01 0.00 0.00 57.45 59.37 2qba n PHE 102 Cb 0.54 -2.57 -0.03 0.00 -0.01 0.00 0.00 39.48 37.40 2qba n PHE 102 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2qba s ARG 103 N -1.01 2.59 0.00 -1.08 3.52 -0.25 -4.70 118.95 118.02 2qba s ARG 103 Ca -0.09 -1.47 0.00 0.00 -0.13 0.00 0.00 55.73 54.04 2qba s ARG 103 Cb 0.01 -2.41 0.00 0.00 -1.56 0.00 0.00 34.95 30.99 2qba s ARG 103 CO 0.25 -0.11 0.34 0.00 -0.81 0.00 0.00 175.30 174.96 2qba n ALA 104 N -1.50 -0.02 -0.57 6.12 0.00 -1.26 -4.38 120.51 118.89 2qba n ALA 104 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2qba n ALA 104 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2qba n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qba n GLY 105 N 0.60 -3.24 3.83 0.00 0.00 -1.26 -4.55 105.19 100.57 2qba n GLY 105 Ca 0.00 0.50 -0.35 0.00 0.00 0.00 0.00 46.02 46.16 2qba n GLY 105 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2qba s ASP 106 N -2.71 6.92 0.00 1.61 1.47 -1.26 -4.92 116.67 117.78 2qba s ASP 106 Ca 0.00 1.24 0.02 0.00 1.18 0.00 0.00 52.55 54.99 2qba s ASP 106 Cb 0.00 -2.35 0.13 0.00 -0.34 0.00 0.00 42.92 40.36 2qba s ASP 106 CO 0.00 0.04 0.62 -3.20 0.68 0.00 0.00 175.17 173.31 2qba n ASN 107 N 0.65 0.00 -4.60 2.11 4.05 -1.26 -3.46 115.26 112.75 2qba n ASN 107 Ca -0.03 -0.92 -0.50 0.00 0.45 0.00 0.00 54.58 53.57 2qba n ASN 107 Cb 0.52 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.47 2qba n ASN 107 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2qba n ALA 108 N -0.57 -0.62 -2.59 5.20 0.00 -1.26 -4.35 120.51 116.31 2qba n ALA 108 Ca 0.02 0.49 -0.43 0.00 0.00 0.00 0.00 53.44 53.52 2qba n ALA 108 Cb 0.01 -2.10 -0.02 0.00 0.00 0.00 0.00 19.45 17.34 2qba n ALA 108 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qba s PRO 109 N 0.29 3.63 0.60 0.00 0.04 -1.26 -1.09 135.00 137.21 2qba s PRO 109 Ca 0.81 0.40 -0.10 0.00 0.04 0.00 0.00 61.00 62.15 2qba s PRO 109 Cb -0.89 -3.94 0.14 0.00 0.04 0.00 0.00 34.50 29.85 2qba s PRO 109 CO 0.47 -1.44 0.79 -1.33 0.04 0.00 0.00 177.00 175.54 2qba n MET 110 N 7.89 -0.89 0.00 4.56 2.81 -1.26 -1.48 117.12 128.76 2qba n MET 110 Ca 0.10 -1.23 0.00 0.00 -1.81 0.00 0.00 57.70 54.76 2qba n MET 110 Cb 0.49 -0.84 0.00 0.00 -0.71 0.00 0.00 33.22 32.16 2qba n MET 110 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2qba n ALA 111 N -3.56 0.00 -2.73 3.04 0.00 0.14 0.02 120.51 117.43 2qba n ALA 111 Ca -0.13 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 2qba n ALA 111 Cb 0.35 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.84 2qba n ALA 111 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qba n TYR 112 N 0.00 -2.63 -1.98 0.00 4.01 0.24 -4.26 117.16 112.55 2qba n TYR 112 Ca 0.00 -1.31 -0.41 0.00 -0.16 0.00 0.00 57.90 56.02 2qba n TYR 112 Cb 0.00 1.40 -0.01 0.00 -0.31 0.00 0.00 39.34 40.42 2qba n TYR 112 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 2qba s ILE 113 N 0.67 2.42 -0.09 -0.72 1.10 0.06 -3.44 121.20 121.21 2qba s ILE 113 Ca 0.29 0.42 -0.30 0.00 -0.51 0.00 0.00 60.65 60.56 2qba s ILE 113 Cb 0.15 -3.27 0.07 0.00 0.15 0.00 0.00 42.46 39.56 2qba s ILE 113 CO -0.15 0.10 0.68 -0.70 -2.11 0.00 0.00 174.94 172.77 2qba s GLU 114 N -1.91 1.02 0.06 3.50 2.12 -0.79 -0.60 118.70 122.09 2qba s GLU 114 Ca 0.51 0.39 -0.31 0.00 0.36 0.00 0.00 54.97 55.92 2qba s GLU 114 Cb -0.43 0.48 -0.07 0.00 0.26 0.00 0.00 34.13 34.38 2qba s GLU 114 CO 0.57 -0.29 1.43 -0.51 -0.54 0.00 0.00 175.26 175.93 2qba s LEU 115 N -0.91 4.35 0.59 2.70 1.43 -0.25 0.10 118.68 126.69 2qba s LEU 115 Ca -0.09 2.26 0.30 0.00 -1.03 0.00 0.00 54.13 55.57 2qba s LEU 115 Cb -0.01 -3.57 1.25 0.00 0.03 0.00 0.00 46.19 43.89 2qba s LEU 115 CO 0.08 -0.72 1.60 1.62 0.23 0.00 0.00 176.35 179.16 2qba h VAL 116 N 4.63 0.17 -2.04 -1.59 3.04 -0.91 0.43 116.25 119.97 2qba h VAL 116 Ca -0.40 0.00 -0.65 0.00 -1.01 0.00 0.00 66.70 64.64 2qba h VAL 116 Cb 1.19 0.28 -0.38 0.00 -2.01 0.00 0.00 31.29 30.38 2qba h VAL 116 CO 0.89 0.00 -0.20 -0.90 -1.01 0.00 0.00 177.57 176.35 2qba n ASP 117 N -3.53 5.36 -0.01 3.17 3.85 -1.26 -4.68 116.55 119.44 2qba n ASP 117 Ca 0.19 -3.71 0.10 0.00 -0.71 0.00 0.00 54.79 50.65 2qba n ASP 117 Cb 1.19 -0.69 -0.16 0.00 -1.35 0.00 0.00 41.12 40.11 2qba n ASP 117 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 2qba n ARG 118 N -0.31 0.61 -0.64 0.11 0.00 0.14 -4.51 116.66 112.06 2qba n ARG 118 Ca 0.38 -0.18 -0.07 0.00 -0.00 0.00 0.00 57.85 57.98 2qba n ARG 118 Cb 0.43 -1.48 -0.10 0.00 0.00 0.00 0.00 32.46 31.31 2qba n ARG 118 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2qba n SER 119 N -2.20 3.57 0.00 6.15 7.64 -1.26 -5.07 113.62 122.44 2qba n SER 119 Ca -0.04 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 57.70 2qba n SER 119 Cb 0.53 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 2qba n SER 119 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41