#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qmb s LEU 2 N 0.00 5.23 -0.07 7.52 1.43 -1.26 -5.01 118.68 126.52 2qmb s LEU 2 Ca 0.00 -3.72 -0.07 0.00 -1.03 0.00 0.00 54.13 49.31 2qmb s LEU 2 Cb 0.00 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 2qmb s LEU 2 CO 0.00 -0.15 0.26 -0.24 0.23 0.00 0.00 176.35 176.45 2qmb n SER 3 N 2.26 0.16 0.23 2.29 2.88 -1.26 -4.51 113.62 115.66 2qmb n SER 3 Ca 0.20 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 2qmb n SER 3 Cb 0.36 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 2qmb n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qmb n ALA 4 N 0.74 0.00 0.10 -1.46 0.00 -1.26 0.14 120.51 118.77 2qmb n ALA 4 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.27 2qmb n ALA 4 Cb -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.29 2qmb n ALA 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qmb h ALA 5 N 0.00 -0.12 -0.31 0.00 0.00 -1.98 -2.65 119.26 114.20 2qmb h ALA 5 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2qmb h ALA 5 Cb 1.60 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2qmb h ALA 5 CO 0.00 0.55 0.00 -0.25 0.00 0.00 0.00 179.25 179.55 2qmb n ASP 6 N -3.92 0.00 -0.14 0.00 9.92 0.38 0.12 116.55 122.92 2qmb n ASP 6 Ca -0.16 0.95 0.27 0.00 -0.53 0.00 0.00 54.79 55.32 2qmb n ASP 6 Cb 0.97 -0.45 0.56 0.00 -0.64 0.00 0.00 41.12 41.56 2qmb n ASP 6 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2qmb h LYS 7 N 0.00 0.00 0.04 -1.24 1.57 -0.08 0.49 116.57 117.35 2qmb h LYS 7 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qmb h LYS 7 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2qmb h LYS 7 CO 0.00 0.00 -0.02 -0.91 -0.57 0.00 0.00 179.45 177.95 2qmb h ASN 8 N 0.00 -0.04 -0.31 0.86 4.21 -0.86 -3.23 115.58 116.20 2qmb h ASN 8 Ca 0.42 -0.57 0.07 0.00 1.21 0.00 0.00 56.30 57.42 2qmb h ASN 8 Cb 2.37 0.01 -0.06 0.00 -1.12 0.00 0.00 38.32 39.51 2qmb h ASN 8 CO -0.00 0.70 -0.12 0.78 -1.29 0.00 0.00 177.43 177.50 2qmb h ASN 9 N -0.95 -0.40 -0.02 5.81 2.35 0.59 -1.91 115.58 121.06 2qmb h ASN 9 Ca -0.01 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2qmb h ASN 9 Cb 0.61 0.24 -0.00 0.00 0.05 0.00 0.00 38.32 39.21 2qmb h ASN 9 CO 0.01 -0.15 -0.03 0.58 -1.65 0.00 0.00 177.43 176.19 2qmb h VAL 10 N -0.06 0.00 -0.82 2.81 2.07 -1.50 -1.61 116.25 117.14 2qmb h VAL 10 Ca 0.16 0.00 0.33 0.00 0.82 0.00 0.00 66.70 68.01 2qmb h VAL 10 Cb 0.29 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 29.91 2qmb h VAL 10 CO -0.35 0.00 0.40 0.29 0.02 0.00 0.00 177.57 177.93 2qmb n LYS 11 N -2.84 -0.05 -0.10 1.57 4.76 -0.98 -1.11 118.16 119.41 2qmb n LYS 11 Ca -0.00 1.14 -0.05 0.00 -2.87 0.00 0.00 58.31 56.52 2qmb n LYS 11 Cb 0.02 -2.02 0.02 0.00 -1.84 0.00 0.00 35.03 31.20 2qmb n LYS 11 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2qmb h GLY 12 N 0.00 0.34 1.50 0.72 0.00 -0.50 -2.38 103.07 102.75 2qmb h GLY 12 Ca 0.68 0.05 -0.14 0.00 0.00 0.00 0.00 47.33 47.92 2qmb h GLY 12 CO -0.64 -0.09 -0.97 1.19 0.00 0.00 0.00 176.54 176.02 2qmb h ILE 13 N 0.08 0.71 0.00 2.60 2.10 -0.91 -2.10 117.51 120.00 2qmb h ILE 13 Ca 0.18 -2.15 0.00 0.00 1.08 0.00 0.00 64.86 63.97 2qmb h ILE 13 Cb 0.25 2.24 0.00 0.00 -1.09 0.00 0.00 36.82 38.22 2qmb h ILE 13 CO -0.31 0.41 0.00 0.49 -1.08 0.00 0.00 178.15 177.66 2qmb n PHE 14 N -3.06 0.72 -0.06 2.19 3.72 -0.49 -0.41 117.46 120.07 2qmb n PHE 14 Ca -0.04 0.25 -0.05 0.00 -0.05 0.00 0.00 57.45 57.56 2qmb n PHE 14 Cb 0.79 -0.91 -0.15 0.00 -0.94 0.00 0.00 39.48 38.27 2qmb n PHE 14 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2qmb n THR 15 N -2.13 1.17 -0.12 4.37 -1.04 -0.94 -1.73 114.28 113.87 2qmb n THR 15 Ca 0.04 -0.77 -0.09 0.00 -2.04 0.00 0.00 64.05 61.18 2qmb n THR 15 Cb 0.29 -0.49 -0.01 0.00 -1.82 0.00 0.00 70.33 68.30 2qmb n THR 15 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2qmb h LYS 16 N 0.00 0.52 0.00 -2.82 1.63 -0.91 -3.41 116.57 111.58 2qmb h LYS 16 Ca -0.38 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 2qmb h LYS 16 Cb 1.94 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.47 2qmb h LYS 16 CO 0.03 0.48 0.00 -0.89 -3.45 0.00 0.00 179.45 175.62 2qmb n ILE 17 N -4.72 0.00 0.00 2.00 5.41 0.45 -4.79 119.36 117.71 2qmb n ILE 17 Ca -0.01 0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.89 2qmb n ILE 17 Cb 0.11 -1.13 0.00 0.00 -0.71 0.00 0.00 39.64 37.91 2qmb n ILE 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qmb n ALA 18 N -3.00 0.00 0.48 -1.39 0.00 -0.70 -2.95 120.51 112.94 2qmb n ALA 18 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2qmb n ALA 18 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 2qmb n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qmb n GLY 19 N 0.00 -0.28 0.13 0.00 0.00 -1.26 -3.33 105.19 100.45 2qmb n GLY 19 Ca 0.00 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 45.83 2qmb n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qmb n HIS 20 N 0.51 0.02 0.00 1.61 8.25 -1.15 -4.53 115.22 119.92 2qmb n HIS 20 Ca 0.06 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2qmb n HIS 20 Cb 0.28 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.39 2qmb n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qmb n ALA 21 N -0.63 0.00 -0.32 -1.41 0.00 -1.21 -0.32 120.51 116.62 2qmb n ALA 21 Ca 0.20 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.80 2qmb n ALA 21 Cb 0.16 0.00 0.35 0.00 0.00 0.00 0.00 19.45 19.96 2qmb n ALA 21 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2qmb h GLU 22 N 0.00 0.45 -0.14 0.00 4.11 -1.85 -1.97 114.58 115.18 2qmb h GLU 22 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 2qmb h GLU 22 Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2qmb h GLU 22 CO 0.00 0.30 0.08 0.93 0.07 0.00 0.00 179.01 180.38 2qmb h GLU 23 N 0.46 0.20 -0.85 1.06 3.07 -1.81 -2.94 114.58 113.77 2qmb h GLU 23 Ca 0.61 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.41 2qmb h GLU 23 Cb 1.17 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 29.01 2qmb h GLU 23 CO -0.52 0.22 0.40 1.88 -1.40 0.00 0.00 179.01 179.59 2qmb h TYR 24 N 0.12 1.23 -0.12 4.33 0.99 -0.32 -2.57 116.97 120.64 2qmb h TYR 24 Ca 0.05 -0.07 0.01 0.00 2.00 0.00 0.00 58.73 60.72 2qmb h TYR 24 Cb 0.08 -0.38 -0.01 0.00 1.00 0.00 0.00 36.73 37.42 2qmb h TYR 24 CO -0.04 0.90 0.05 0.78 -0.00 0.00 0.00 178.16 179.85 2qmb h GLY 25 N 1.21 0.15 0.61 3.88 0.00 -1.41 -0.66 103.07 106.85 2qmb h GLY 25 Ca 0.29 -0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.66 2qmb h GLY 25 CO -0.03 0.03 0.44 0.00 0.00 0.00 0.00 176.54 176.97 2qmb h ALA 26 N 1.06 1.06 -0.38 3.60 0.00 -1.37 -1.70 119.26 121.53 2qmb h ALA 26 Ca 0.05 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 2qmb h ALA 26 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2qmb h ALA 26 CO -0.04 0.10 -0.38 1.49 0.00 0.00 0.00 179.25 180.43 2qmb h GLU 27 N 0.77 0.93 -0.81 0.00 4.81 -1.31 -1.29 114.58 117.69 2qmb h GLU 27 Ca 0.35 -0.49 -0.04 0.00 -0.13 0.00 0.00 59.36 59.06 2qmb h GLU 27 Cb 0.26 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 2qmb h GLU 27 CO -0.21 1.15 0.36 1.79 -0.73 0.00 0.00 179.01 181.37 2qmb h THR 28 N 0.75 1.26 -0.58 0.32 1.35 -0.67 -0.97 112.91 114.38 2qmb h THR 28 Ca 0.06 -0.76 -0.01 0.00 -0.55 0.00 0.00 66.41 65.15 2qmb h THR 28 Cb 0.97 0.25 -0.03 0.00 -1.73 0.00 0.00 68.15 67.62 2qmb h THR 28 CO 0.09 0.32 0.31 -0.07 -0.25 0.00 0.00 175.52 175.92 2qmb h LEU 29 N 1.16 0.73 -0.85 3.87 4.07 -0.91 -2.20 115.31 121.17 2qmb h LEU 29 Ca 0.27 -0.10 -0.08 0.00 0.08 0.00 0.00 57.88 58.05 2qmb h LEU 29 Cb 0.16 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.69 2qmb h LEU 29 CO -0.03 0.62 0.01 -0.33 -1.08 0.00 0.00 178.44 177.63 2qmb h GLU 30 N 0.78 0.86 0.00 1.13 5.08 -0.66 -1.11 114.58 120.66 2qmb h GLU 30 Ca 0.20 -0.24 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2qmb h GLU 30 Cb 0.06 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2qmb h GLU 30 CO -0.03 0.86 0.00 0.00 -1.00 0.00 0.00 179.01 178.83 2qmb h ARG 31 N 0.80 0.00 0.15 2.33 3.08 -0.77 -2.10 114.38 117.87 2qmb h ARG 31 Ca 0.15 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.93 2qmb h ARG 31 Cb 0.47 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.53 2qmb h ARG 31 CO 0.02 0.00 -1.31 1.98 -1.07 0.00 0.00 179.97 179.59 2qmb h MET 32 N 0.00 0.31 0.00 0.04 4.05 -0.68 0.12 114.93 118.76 2qmb h MET 32 Ca 0.00 -0.53 -0.11 0.00 -0.28 0.00 0.00 59.70 58.79 2qmb h MET 32 Cb 0.61 0.20 -0.02 0.00 -0.80 0.00 0.00 31.60 31.59 2qmb h MET 32 CO 0.00 1.25 -0.51 0.74 0.23 0.00 0.00 176.91 178.62 2qmb h PHE 33 N -0.23 0.00 0.18 1.39 0.04 -1.09 -0.12 116.94 117.12 2qmb h PHE 33 Ca -0.26 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 60.16 2qmb h PHE 33 Cb 1.82 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.97 2qmb h PHE 33 CO 0.14 0.51 -1.74 0.82 -0.60 0.00 0.00 178.31 177.44 2qmb h ILE 34 N 0.00 0.95 0.00 -0.55 1.08 -1.43 -3.18 117.51 114.38 2qmb h ILE 34 Ca -0.01 -2.53 -0.08 0.00 -0.39 0.00 0.00 64.86 61.85 2qmb h ILE 34 Cb 0.92 2.76 -0.01 0.00 -3.07 0.00 0.00 36.82 37.42 2qmb h ILE 34 CO 0.07 0.86 -0.37 0.74 -0.69 0.00 0.00 178.15 178.75 2qmb h THR 35 N 0.10 0.65 -2.14 -0.27 2.02 -0.75 -3.38 112.91 109.14 2qmb h THR 35 Ca -0.34 -1.86 -0.55 0.00 0.77 0.00 0.00 66.41 64.43 2qmb h THR 35 Cb 2.10 2.28 -0.41 0.00 -1.74 0.00 0.00 68.15 70.37 2qmb h THR 35 CO 0.18 0.36 -0.88 -1.22 0.37 0.00 0.00 175.52 174.33 2qmb n TYR 36 N -3.21 2.12 -0.27 3.16 4.01 -0.06 -5.00 117.16 117.91 2qmb n TYR 36 Ca 0.02 -3.91 0.22 0.00 -0.16 0.00 0.00 57.90 54.08 2qmb n TYR 36 Cb 0.66 -0.46 0.41 0.00 -0.31 0.00 0.00 39.34 39.65 2qmb n TYR 36 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2qmb n PRO 37 N 0.29 -0.05 0.31 -0.72 -0.02 -1.20 0.22 135.00 133.82 2qmb n PRO 37 Ca 0.28 1.15 0.19 0.00 -2.02 0.00 0.00 63.50 63.10 2qmb n PRO 37 Cb 0.50 -2.00 1.04 0.00 -0.02 0.00 0.00 33.50 33.02 2qmb n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2qmb h PRO 38 N 0.00 0.00 0.00 0.52 0.11 -1.93 0.18 132.00 130.88 2qmb h PRO 38 Ca 0.64 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.75 2qmb h PRO 38 Cb 1.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.72 2qmb h PRO 38 CO -0.67 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 178.91 2qmb h THR 39 N 0.00 0.00 0.00 -1.15 1.35 -0.56 -1.46 112.91 111.09 2qmb h THR 39 Ca 0.01 -0.10 -0.03 0.00 -0.55 0.00 0.00 66.41 65.74 2qmb h THR 39 Cb 0.10 0.91 -0.00 0.00 -1.73 0.00 0.00 68.15 67.42 2qmb h THR 39 CO -0.00 0.00 -0.15 0.11 -0.25 0.00 0.00 175.52 175.23 2qmb h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -0.83 -2.54 116.57 119.49 2qmb h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qmb h LYS 40 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2qmb h LYS 40 CO 0.00 0.15 0.00 0.25 -0.57 0.00 0.00 179.45 179.28 2qmb n THR 41 N -3.28 0.88 1.01 -0.16 -2.24 -0.55 -1.04 114.28 108.91 2qmb n THR 41 Ca 0.01 0.22 0.04 0.00 -2.27 0.00 0.00 64.05 62.05 2qmb n THR 41 Cb 0.41 -1.00 0.13 0.00 -2.10 0.00 0.00 70.33 67.78 2qmb n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2qmb n TYR 42 N -1.40 0.42 -2.64 4.78 4.01 -0.96 -4.34 117.16 117.03 2qmb n TYR 42 Ca 0.05 -0.20 -0.11 0.00 -0.16 0.00 0.00 57.90 57.48 2qmb n TYR 42 Cb 0.13 -0.03 0.03 0.00 -0.31 0.00 0.00 39.34 39.16 2qmb n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2qmb n PHE 43 N 0.32 1.43 0.25 -0.72 3.72 -0.21 -4.87 117.46 117.38 2qmb n PHE 43 Ca 0.10 -2.80 0.14 0.00 -0.05 0.00 0.00 57.45 54.85 2qmb n PHE 43 Cb 0.28 -0.34 0.52 0.00 -0.94 0.00 0.00 39.48 39.00 2qmb n PHE 43 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2qmb h PRO 44 N 2.93 0.00 -0.33 -1.08 0.13 -1.76 -2.30 132.00 129.59 2qmb h PRO 44 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2qmb h PRO 44 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2qmb h PRO 44 CO 0.53 0.05 0.00 -2.39 -0.23 0.00 0.00 178.00 175.96 2qmb n HIS 45 N -3.15 0.42 -4.17 1.56 1.44 -1.26 -4.97 115.22 105.09 2qmb n HIS 45 Ca 0.01 -0.25 -0.22 0.00 -2.01 0.00 0.00 57.72 55.25 2qmb n HIS 45 Cb 0.39 -0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.44 2qmb n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 2qmb s PHE 46 N -1.35 2.89 -0.53 -1.40 0.40 -0.87 -5.05 117.98 112.07 2qmb s PHE 46 Ca 0.33 -0.19 -0.26 0.00 -0.60 0.00 0.00 56.93 56.21 2qmb s PHE 46 Cb 0.20 -1.36 0.03 0.00 0.51 0.00 0.00 43.02 42.40 2qmb s PHE 46 CO 0.27 0.53 1.03 0.34 0.70 0.00 0.00 175.22 178.09 2qmb s ASP 47 N -3.78 6.44 -0.24 1.36 2.15 -1.26 -4.90 116.67 116.44 2qmb s ASP 47 Ca 0.33 -0.02 0.14 0.00 0.43 0.00 0.00 52.55 53.42 2qmb s ASP 47 Cb -0.07 -2.48 0.69 0.00 -0.30 0.00 0.00 42.92 40.76 2qmb s ASP 47 CO 0.23 -1.26 1.64 0.18 -0.17 0.00 0.00 175.17 175.79 2qmb n LEU 48 N 7.71 5.12 -4.86 -1.34 4.77 -1.26 -4.53 117.00 122.60 2qmb n LEU 48 Ca 0.06 -3.08 -0.34 0.00 -0.03 0.00 0.00 56.01 52.62 2qmb n LEU 48 Cb 0.48 -0.65 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 2qmb n LEU 48 CO 0.67 0.72 0.15 -0.94 -1.33 0.00 0.00 177.39 176.66 2qmb s SER 49 N -1.34 6.68 -0.06 -1.43 1.04 -1.26 -4.95 113.70 112.39 2qmb s SER 49 Ca 0.50 0.89 -0.36 0.00 0.48 0.00 0.00 55.95 57.46 2qmb s SER 49 Cb 0.40 -2.21 -0.14 0.00 0.10 0.00 0.00 66.02 64.16 2qmb s SER 49 CO 0.12 0.09 1.68 1.57 0.98 0.00 0.00 173.24 177.69 2qmb n HIS 50 N 0.60 2.10 0.00 5.02 -0.00 -1.26 -0.52 115.22 121.16 2qmb n HIS 50 Ca -0.05 0.31 0.00 0.00 0.46 0.00 0.00 57.72 58.44 2qmb n HIS 50 Cb 0.52 -2.52 0.00 0.00 -0.12 0.00 0.00 29.99 27.87 2qmb n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qmb n GLY 51 N 3.80 2.44 3.69 1.57 0.00 -1.26 -5.02 105.19 110.41 2qmb n GLY 51 Ca 0.22 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 2qmb n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qmb n SER 52 N 0.00 2.27 -0.17 1.61 3.41 0.33 -4.75 113.62 116.32 2qmb n SER 52 Ca 0.00 1.06 -0.04 0.00 -0.26 0.00 0.00 58.87 59.63 2qmb n SER 52 Cb 0.00 -1.48 0.05 0.00 -0.26 0.00 0.00 64.21 62.52 2qmb n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qmb h ALA 53 N 1.80 0.64 0.00 7.33 0.00 -1.89 -1.47 119.26 125.68 2qmb h ALA 53 Ca -0.48 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2qmb h ALA 53 Cb 1.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qmb h ALA 53 CO 0.58 -0.10 0.00 1.96 0.00 0.00 0.00 179.25 181.69 2qmb h GLN 54 N 0.48 0.00 0.04 0.00 4.20 -1.90 -2.06 115.11 115.87 2qmb h GLN 54 Ca 0.23 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.77 2qmb h GLN 54 Cb 0.15 0.00 0.02 0.00 0.30 0.00 0.00 27.48 27.94 2qmb h GLN 54 CO -0.17 0.00 -0.66 0.82 -0.67 0.00 0.00 178.83 178.15 2qmb h ILE 55 N 0.00 1.45 -0.68 2.54 2.04 -1.54 -1.02 117.51 120.30 2qmb h ILE 55 Ca 0.00 -2.21 0.15 0.00 1.00 0.00 0.00 64.86 63.79 2qmb h ILE 55 Cb 0.82 2.78 -0.11 0.00 -0.74 0.00 0.00 36.82 39.56 2qmb h ILE 55 CO 0.00 0.64 0.07 0.11 0.00 0.00 0.00 178.15 178.96 2qmb h LYS 56 N -0.18 0.16 0.69 2.37 1.57 -1.23 0.93 116.57 120.89 2qmb h LYS 56 Ca -0.10 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2qmb h LYS 56 Cb 1.41 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.69 2qmb h LYS 56 CO 0.13 0.11 -0.33 0.78 -0.57 0.00 0.00 179.45 179.56 2qmb h GLY 57 N 0.17 -0.97 -0.30 3.86 0.00 -0.96 -1.06 103.07 103.81 2qmb h GLY 57 Ca 0.37 0.36 0.13 0.00 0.00 0.00 0.00 47.33 48.20 2qmb h GLY 57 CO -0.55 -0.35 -0.15 0.84 0.00 0.00 0.00 176.54 176.33 2qmb h HIS 58 N -1.20 -0.32 -1.03 5.60 -0.00 -1.10 -0.27 115.15 116.82 2qmb h HIS 58 Ca -0.10 0.06 0.27 0.00 -0.00 0.00 0.00 60.37 60.60 2qmb h HIS 58 Cb 0.71 0.24 -0.12 0.00 -0.00 0.00 0.00 27.41 28.25 2qmb h HIS 58 CO 0.01 -0.28 0.63 0.78 -0.00 0.00 0.00 177.93 179.07 2qmb h GLY 59 N 0.01 1.70 0.92 5.26 0.00 0.14 -0.29 103.07 110.81 2qmb h GLY 59 Ca 0.32 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 2qmb h GLY 59 CO -0.67 -0.25 -0.23 1.70 0.00 0.00 0.00 176.54 177.09 2qmb h LYS 60 N 0.47 0.63 -0.59 4.80 3.64 0.26 -1.34 116.57 124.43 2qmb h LYS 60 Ca 0.65 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.70 2qmb h LYS 60 Cb 1.43 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.23 2qmb h LYS 60 CO -0.44 0.92 0.34 0.87 -2.27 0.00 0.00 179.45 178.87 2qmb h LYS 61 N 0.36 0.81 0.34 1.90 1.57 -1.05 0.68 116.57 121.19 2qmb h LYS 61 Ca 0.05 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2qmb h LYS 61 Cb 0.79 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 2qmb h LYS 61 CO 0.06 0.61 -0.33 0.28 -0.57 0.00 0.00 179.45 179.49 2qmb h VAL 62 N 0.80 0.31 -0.05 0.50 2.07 -0.86 -2.29 116.25 116.74 2qmb h VAL 62 Ca 0.21 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.59 2qmb h VAL 62 Cb 0.02 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2qmb h VAL 62 CO -0.04 0.00 -0.62 0.58 0.02 0.00 0.00 177.57 177.51 2qmb h VAL 63 N -0.70 1.41 -0.26 2.57 2.07 0.22 0.70 116.25 122.27 2qmb h VAL 63 Ca -0.02 -2.05 0.03 0.00 0.82 0.00 0.00 66.70 65.49 2qmb h VAL 63 Cb 0.63 2.06 -0.06 0.00 -1.52 0.00 0.00 31.29 32.40 2qmb h VAL 63 CO -0.06 0.60 -0.45 0.00 0.02 0.00 0.00 177.57 177.68 2qmb h ALA 64 N 1.24 -0.73 -0.80 1.67 0.00 -1.14 0.56 119.26 120.05 2qmb h ALA 64 Ca -0.01 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.03 2qmb h ALA 64 Cb 1.12 1.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.86 2qmb h ALA 64 CO 0.09 -0.93 0.53 0.00 0.00 0.00 0.00 179.25 178.94 2qmb h ALA 65 N -0.36 2.01 -0.32 0.00 0.00 -0.30 0.82 119.26 121.11 2qmb h ALA 65 Ca 0.05 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 2qmb h ALA 65 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2qmb h ALA 65 CO -0.44 -0.22 -0.29 1.25 0.00 0.00 0.00 179.25 179.55 2qmb h LEU 66 N 0.52 0.68 -0.38 0.00 5.85 -0.18 -0.34 115.31 121.45 2qmb h LEU 66 Ca 0.40 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2qmb h LEU 66 Cb 0.79 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2qmb h LEU 66 CO -0.15 0.93 0.00 2.30 -0.34 0.00 0.00 178.44 181.18 2qmb n ILE 67 N -4.09 0.07 0.82 4.05 -6.64 0.27 -2.59 119.36 111.25 2qmb n ILE 67 Ca -0.01 -0.12 0.08 0.00 -1.77 0.00 0.00 62.75 60.94 2qmb n ILE 67 Cb 0.46 -0.06 -0.08 0.00 -1.44 0.00 0.00 39.64 38.51 2qmb n ILE 67 CO 0.00 0.00 0.00 1.21 -1.77 0.00 0.00 176.55 175.99 2qmb n GLU 68 N -0.40 1.28 0.00 6.28 2.13 -0.11 -2.98 120.64 126.84 2qmb n GLU 68 Ca 0.15 -0.14 0.01 0.00 0.66 0.00 0.00 57.16 57.84 2qmb n GLU 68 Cb 0.16 -1.33 0.00 0.00 0.27 0.00 0.00 31.44 30.54 2qmb n GLU 68 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qmb n ALA 69 N -1.21 2.45 0.12 4.31 0.00 -1.09 -3.35 120.51 121.73 2qmb n ALA 69 Ca 0.04 -0.38 0.06 0.00 0.00 0.00 0.00 53.44 53.16 2qmb n ALA 69 Cb 0.29 -0.10 0.02 0.00 0.00 0.00 0.00 19.45 19.66 2qmb n ALA 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qmb h ALA 70 N 0.51 0.69 0.00 0.00 0.00 -1.48 0.40 119.26 119.38 2qmb h ALA 70 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2qmb h ALA 70 Cb 0.10 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qmb h ALA 70 CO 0.00 0.43 0.00 0.09 0.00 0.00 0.00 179.25 179.77 2qmb n ASN 71 N -2.98 0.00 -1.22 0.00 5.03 -1.16 -2.66 115.26 112.27 2qmb n ASN 71 Ca -0.01 -1.05 0.01 0.00 0.87 0.00 0.00 54.58 54.40 2qmb n ASN 71 Cb 0.68 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.44 2qmb n ASN 71 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2qmb n HIS 72 N -0.94 0.00 -0.43 3.10 8.25 -1.09 -4.85 115.22 119.27 2qmb n HIS 72 Ca 0.20 -0.41 0.34 0.00 -0.26 0.00 0.00 57.72 57.58 2qmb n HIS 72 Cb 0.09 0.02 0.53 0.00 1.12 0.00 0.00 29.99 31.76 2qmb n HIS 72 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2qmb n ILE 73 N 0.31 -0.07 -0.13 1.59 2.08 0.14 0.66 119.36 123.93 2qmb n ILE 73 Ca -0.02 1.12 -0.08 0.00 0.56 0.00 0.00 62.75 64.32 2qmb n ILE 73 Cb 0.97 -1.85 0.00 0.00 -0.75 0.00 0.00 39.64 38.00 2qmb n ILE 73 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2qmb h ASP 74 N 0.00 0.47 -2.05 4.38 3.32 -1.86 -3.37 116.42 117.32 2qmb h ASP 74 Ca 0.64 -0.03 -0.54 0.00 0.02 0.00 0.00 57.03 57.12 2qmb h ASP 74 Cb 2.37 -0.12 -0.40 0.00 0.22 0.00 0.00 39.33 41.41 2qmb h ASP 74 CO -0.13 0.37 -1.04 -0.67 -1.72 0.00 0.00 179.24 176.05 2qmb n ASP 75 N -4.79 1.24 -0.33 6.45 2.03 3.00 -4.88 116.55 119.28 2qmb n ASP 75 Ca 0.01 -2.99 0.26 0.00 0.52 0.00 0.00 54.79 52.59 2qmb n ASP 75 Cb 0.04 -0.63 0.50 0.00 -0.72 0.00 0.00 41.12 40.31 2qmb n ASP 75 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2qmb h ILE 76 N 1.88 0.10 0.00 5.18 2.04 -1.38 0.32 117.51 125.65 2qmb h ILE 76 Ca 0.10 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.93 2qmb h ILE 76 Cb 0.85 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2qmb h ILE 76 CO 0.55 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.72 2qmb h ALA 77 N 1.95 1.00 0.00 1.87 0.00 -1.89 -2.13 119.26 120.05 2qmb h ALA 77 Ca 0.77 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.60 2qmb h ALA 77 Cb 1.90 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 2qmb h ALA 77 CO -0.74 0.00 -1.30 0.41 0.00 0.00 0.00 179.25 177.62 2qmb n GLY 78 N 0.11 -0.10 0.16 0.00 0.00 -0.80 -1.89 105.19 102.67 2qmb n GLY 78 Ca 0.02 -0.04 0.09 0.00 0.00 0.00 0.00 46.02 46.09 2qmb n GLY 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2qmb n THR 79 N -2.55 0.88 -0.28 2.61 -1.04 0.04 -3.25 114.28 110.69 2qmb n THR 79 Ca -0.09 0.74 0.00 0.00 -2.04 0.00 0.00 64.05 62.66 2qmb n THR 79 Cb 0.61 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.38 2qmb n THR 79 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2qmb n LEU 80 N -2.17 0.11 -0.36 -4.42 4.77 -0.87 -4.81 117.00 109.25 2qmb n LEU 80 Ca -0.01 -0.19 0.05 0.00 -0.03 0.00 0.00 56.01 55.83 2qmb n LEU 80 Cb 0.14 0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.36 2qmb n LEU 80 CO 0.08 0.03 0.65 0.77 -1.33 0.00 0.00 177.39 177.59 2qmb h SER 81 N 0.00 -0.98 -1.10 -1.43 4.64 -1.35 0.61 113.55 113.94 2qmb h SER 81 Ca 0.00 0.30 0.31 0.00 -0.47 0.00 0.00 61.79 61.92 2qmb h SER 81 Cb 0.14 0.63 -0.11 0.00 -0.31 0.00 0.00 62.40 62.75 2qmb h SER 81 CO 0.00 -0.32 0.70 0.50 -0.87 0.00 0.00 176.83 176.84 2qmb h LYS 82 N -0.00 0.32 0.00 4.77 3.64 -1.87 -2.14 116.57 121.29 2qmb h LYS 82 Ca 0.46 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.62 2qmb h LYS 82 Cb 0.70 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2qmb h LYS 82 CO -1.01 0.21 -1.12 -0.07 -2.27 0.00 0.00 179.45 175.20 2qmb h LEU 83 N 0.33 0.00 -0.66 5.20 3.38 -1.25 -3.30 115.31 119.02 2qmb h LEU 83 Ca 0.66 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.76 2qmb h LEU 83 Cb 1.74 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.39 2qmb h LEU 83 CO -0.36 0.80 0.11 0.28 0.09 0.00 0.00 178.44 179.36 2qmb h SER 84 N 0.00 -0.08 -0.29 -0.43 0.02 -1.36 -1.65 113.55 109.76 2qmb h SER 84 Ca -0.10 0.14 0.07 0.00 -0.84 0.00 0.00 61.79 61.06 2qmb h SER 84 Cb 1.70 0.20 -0.07 0.00 0.14 0.00 0.00 62.40 64.37 2qmb h SER 84 CO 0.09 -0.05 -0.17 -0.78 -1.14 0.00 0.00 176.83 174.79 2qmb h ASP 85 N 0.22 -0.56 -0.25 3.07 1.82 -1.63 -1.38 116.42 117.72 2qmb h ASP 85 Ca 0.35 0.12 0.05 0.00 -0.39 0.00 0.00 57.03 57.17 2qmb h ASP 85 Cb 0.57 0.29 -0.08 0.00 0.68 0.00 0.00 39.33 40.80 2qmb h ASP 85 CO -0.48 -0.20 -0.46 0.25 -1.61 0.00 0.00 179.24 176.73 2qmb h LEU 86 N -0.14 -1.49 0.02 2.28 5.85 -1.55 0.18 115.31 120.46 2qmb h LEU 86 Ca 0.15 0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.97 2qmb h LEU 86 Cb 0.37 0.62 0.01 0.00 0.37 0.00 0.00 40.66 42.02 2qmb h LEU 86 CO -0.37 -0.42 -0.41 0.45 -0.34 0.00 0.00 178.44 177.35 2qmb h HIS 87 N -0.45 0.38 -0.18 1.25 3.86 -0.93 0.75 115.15 119.83 2qmb h HIS 87 Ca 0.09 -0.22 -0.20 0.00 -1.16 0.00 0.00 60.37 58.88 2qmb h HIS 87 Cb 0.62 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.06 2qmb h HIS 87 CO -0.57 1.06 -0.67 0.00 0.86 0.00 0.00 177.93 178.60 2qmb h ALA 88 N 0.23 0.48 0.00 2.45 0.00 -1.32 0.38 119.26 121.48 2qmb h ALA 88 Ca -0.06 -0.56 -0.16 0.00 0.00 0.00 0.00 54.91 54.13 2qmb h ALA 88 Cb 1.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2qmb h ALA 88 CO 0.08 0.70 -1.59 0.72 0.00 0.00 0.00 179.25 179.16 2qmb n HIS 89 N -3.94 0.00 0.00 0.00 8.25 0.59 -3.95 115.22 116.18 2qmb n HIS 89 Ca -0.05 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.39 2qmb n HIS 89 Cb 0.68 -0.39 -0.01 0.00 1.12 0.00 0.00 29.99 31.40 2qmb n HIS 89 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2qmb h LYS 90 N -0.15 -0.08 0.00 -0.41 6.56 -1.00 -3.35 116.57 118.14 2qmb h LYS 90 Ca -0.25 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.35 2qmb h LYS 90 Cb 1.31 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.99 2qmb h LYS 90 CO -0.08 -0.06 0.00 -0.07 -2.06 0.00 0.00 179.45 177.18 2qmb h LEU 91 N -0.69 0.00 -1.53 2.94 -0.00 -0.95 -3.48 115.31 111.60 2qmb h LEU 91 Ca -0.01 0.00 -0.55 0.00 -0.00 0.00 0.00 57.88 57.32 2qmb h LEU 91 Cb 0.07 0.00 -0.17 0.00 -0.00 0.00 0.00 40.66 40.56 2qmb h LEU 91 CO 0.01 0.00 -0.88 0.54 -0.00 0.00 0.00 178.44 178.12 2qmb n ARG 92 N -3.07 -2.74 -1.69 1.13 1.74 0.77 -4.93 116.66 107.88 2qmb n ARG 92 Ca 0.01 0.33 -0.44 0.00 -0.77 0.00 0.00 57.85 56.98 2qmb n ARG 92 Cb 0.34 -4.66 -0.04 0.00 -1.02 0.00 0.00 32.46 27.09 2qmb n ARG 92 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2qmb n VAL 93 N -4.40 0.02 -2.20 1.55 0.31 0.99 -4.93 118.33 109.67 2qmb n VAL 93 Ca -0.12 -0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.79 2qmb n VAL 93 Cb 0.59 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.75 2qmb n VAL 93 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qmb s ASP 94 N 1.13 6.86 0.61 4.52 -1.08 -1.26 -4.85 116.67 122.60 2qmb s ASP 94 Ca 0.78 2.32 0.31 0.00 -0.52 0.00 0.00 52.55 55.44 2qmb s ASP 94 Cb -0.60 -2.59 1.75 0.00 -1.46 0.00 0.00 42.92 40.01 2qmb s ASP 94 CO 0.36 -0.60 2.11 -0.65 0.52 0.00 0.00 175.17 176.91 2qmb h PRO 95 N 6.39 0.00 -0.04 4.34 0.11 -2.00 0.12 132.00 140.91 2qmb h PRO 95 Ca -0.43 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.69 2qmb h PRO 95 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qmb h PRO 95 CO 0.83 0.00 0.05 0.28 -0.21 0.00 0.00 178.00 178.95 2qmb h VAL 96 N 0.00 0.52 0.00 3.15 2.07 -2.02 0.15 116.25 120.12 2qmb h VAL 96 Ca 0.07 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.55 2qmb h VAL 96 Cb 0.45 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 2qmb h VAL 96 CO -0.00 0.00 -0.17 0.78 0.02 0.00 0.00 177.57 178.20 2qmb h ASN 97 N 0.00 0.00 -0.12 0.57 2.35 -1.13 -2.38 115.58 114.87 2qmb h ASN 97 Ca 0.02 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.58 2qmb h ASN 97 Cb 0.12 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.50 2qmb h ASN 97 CO -0.00 0.17 -0.65 -0.26 -1.65 0.00 0.00 177.43 175.04 2qmb h PHE 98 N 0.00 0.89 -0.83 1.19 0.04 -1.12 -2.15 116.94 114.96 2qmb h PHE 98 Ca -0.00 -0.40 0.03 0.00 2.80 0.00 0.00 57.97 60.40 2qmb h PHE 98 Cb 0.67 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 38.64 2qmb h PHE 98 CO 0.00 1.21 0.54 0.87 -0.60 0.00 0.00 178.31 180.33 2qmb h LYS 99 N 0.32 1.01 -0.05 1.51 1.57 -1.51 0.13 116.57 119.55 2qmb h LYS 99 Ca -0.05 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2qmb h LYS 99 Cb 1.29 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 2qmb h LYS 99 CO 0.13 0.67 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.47 2qmb h LEU 100 N 1.04 -0.44 -0.84 2.94 4.07 -0.94 0.10 115.31 121.25 2qmb h LEU 100 Ca 0.32 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.34 2qmb h LEU 100 Cb 0.00 0.20 -0.04 0.00 1.08 0.00 0.00 40.66 41.90 2qmb h LEU 100 CO -0.09 -0.20 0.47 0.25 -1.08 0.00 0.00 178.44 177.79 2qmb h LEU 101 N -0.22 1.04 -1.47 1.67 6.46 -1.19 -0.48 115.31 121.11 2qmb h LEU 101 Ca 0.07 -0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2qmb h LEU 101 Cb 0.31 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 2qmb h LEU 101 CO -0.18 0.83 0.37 1.23 -0.62 0.00 0.00 178.44 180.06 2qmb h GLY 102 N 1.16 0.77 1.89 3.75 0.00 -0.03 -1.39 103.07 109.23 2qmb h GLY 102 Ca 0.30 -0.28 -0.17 0.00 0.00 0.00 0.00 47.33 47.17 2qmb h GLY 102 CO -0.05 0.27 -0.87 -1.61 0.00 0.00 0.00 176.54 174.28 2qmb h GLN 103 N 0.72 0.00 0.00 4.80 4.15 0.77 -2.55 115.11 123.00 2qmb h GLN 103 Ca 0.21 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.49 2qmb h GLN 103 Cb -0.04 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 2qmb h GLN 103 CO -0.05 0.75 -0.66 0.00 -1.93 0.00 0.00 178.83 176.95 2qmb h PHE 105 N 0.00 0.00 -0.02 0.00 3.57 -1.14 0.18 116.94 119.53 2qmb h PHE 105 Ca -0.01 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2qmb h PHE 105 Cb 1.21 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.95 2qmb h PHE 105 CO 0.00 0.00 -0.28 -0.07 -2.23 0.00 0.00 178.31 175.73 2qmb h LEU 106 N 0.00 0.28 -0.68 0.59 3.38 -1.28 -2.80 115.31 114.79 2qmb h LEU 106 Ca 0.00 -0.73 0.14 0.00 0.09 0.00 0.00 57.88 57.38 2qmb h LEU 106 Cb 0.81 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.36 2qmb h LEU 106 CO 0.00 0.97 -0.12 0.58 0.09 0.00 0.00 178.44 179.96 2qmb h VAL 107 N -0.39 0.35 -0.01 1.22 2.07 -1.22 0.18 116.25 118.45 2qmb h VAL 107 Ca -0.03 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.51 2qmb h VAL 107 Cb 0.99 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2qmb h VAL 107 CO 0.06 0.01 -0.19 0.58 0.02 0.00 0.00 177.57 178.04 2qmb h VAL 108 N 0.03 0.54 -0.79 2.57 2.07 -0.94 0.26 116.25 119.99 2qmb h VAL 108 Ca 0.34 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.98 2qmb h VAL 108 Cb 0.54 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 2qmb h VAL 108 CO -0.67 0.00 0.52 0.58 0.02 0.00 0.00 177.57 178.02 2qmb h VAL 109 N -0.31 0.87 0.00 2.57 2.07 -0.71 -1.91 116.25 118.83 2qmb h VAL 109 Ca 0.06 -0.20 -0.21 0.00 0.82 0.00 0.00 66.70 67.17 2qmb h VAL 109 Cb 0.39 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2qmb h VAL 109 CO -0.19 0.11 -0.90 0.00 0.02 0.00 0.00 177.57 176.61 2qmb h ALA 110 N 1.62 0.46 -0.60 1.67 0.00 0.34 0.25 119.26 123.01 2qmb h ALA 110 Ca 0.38 -0.72 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 2qmb h ALA 110 Cb 0.65 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2qmb h ALA 110 CO -0.14 0.88 -0.00 0.82 0.00 0.00 0.00 179.25 180.80 2qmb h ILE 111 N 0.15 1.27 -0.34 0.00 2.04 -0.23 -3.32 117.51 117.08 2qmb h ILE 111 Ca -0.06 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.65 2qmb h ILE 111 Cb 1.53 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.42 2qmb h ILE 111 CO 0.14 0.42 0.00 1.41 0.00 0.00 0.00 178.15 180.12 2qmb n HIS 112 N -4.19 0.42 -2.68 1.37 8.25 -0.87 -4.65 115.22 112.87 2qmb n HIS 112 Ca 0.03 -0.21 -0.05 0.00 -0.26 0.00 0.00 57.72 57.22 2qmb n HIS 112 Cb 0.35 -0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.53 2qmb n HIS 112 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2qmb n HIS 113 N 1.49 -1.42 0.25 4.41 8.25 0.85 -5.02 115.22 124.03 2qmb n HIS 113 Ca 0.19 -1.31 -0.13 0.00 -0.26 0.00 0.00 57.72 56.21 2qmb n HIS 113 Cb 0.61 1.38 -0.07 0.00 1.12 0.00 0.00 29.99 33.03 2qmb n HIS 113 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2qmb h PRO 114 N 2.06 -0.65 0.00 -0.41 0.11 -1.72 -0.51 132.00 130.88 2qmb h PRO 114 Ca -0.33 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2qmb h PRO 114 Cb 1.21 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.47 2qmb h PRO 114 CO -0.04 -0.35 0.00 0.00 -0.21 0.00 0.00 178.00 177.39 2qmb n ALA 115 N -2.62 0.00 0.19 -0.75 0.00 -1.26 -0.79 120.51 115.27 2qmb n ALA 115 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.40 2qmb n ALA 115 Cb 0.31 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.05 2qmb n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qmb h ALA 116 N 0.00 0.91 -1.57 0.00 0.00 -1.51 -3.38 119.26 113.72 2qmb h ALA 116 Ca 0.00 -0.32 -0.75 0.00 0.00 0.00 0.00 54.91 53.84 2qmb h ALA 116 Cb 0.00 -0.06 -0.18 0.00 0.00 0.00 0.00 17.79 17.55 2qmb h ALA 116 CO 0.00 0.43 1.43 -0.11 0.00 0.00 0.00 179.25 181.00 2qmb n LEU 117 N -3.38 5.69 -4.90 0.00 7.94 0.03 -4.86 117.00 117.51 2qmb n LEU 117 Ca 0.01 -4.60 -0.28 0.00 -1.11 0.00 0.00 56.01 50.03 2qmb n LEU 117 Cb 0.54 -1.55 -0.02 0.00 0.53 0.00 0.00 43.42 42.92 2qmb n LEU 117 CO 0.36 1.00 0.35 0.42 -1.11 0.00 0.00 177.39 178.41 2qmb s THR 118 N 0.79 4.94 0.18 1.96 -4.23 -1.26 -4.75 115.64 113.26 2qmb s THR 118 Ca 0.40 0.17 -0.27 0.00 -1.18 0.00 0.00 61.69 60.82 2qmb s THR 118 Cb 0.00 -3.80 0.03 0.00 1.34 0.00 0.00 72.50 70.07 2qmb s THR 118 CO 0.00 -0.60 1.55 -0.65 -0.54 0.00 0.00 174.62 174.38 2qmb h PRO 119 N 0.90 -0.05 0.16 3.99 0.11 -1.97 0.66 132.00 135.81 2qmb h PRO 119 Ca -0.48 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.65 2qmb h PRO 119 Cb 1.20 0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 2qmb h PRO 119 CO 0.63 -0.03 -0.46 1.49 -0.21 0.00 0.00 178.00 179.42 2qmb h GLU 120 N -0.05 -0.70 -1.11 1.05 4.81 -1.99 0.26 114.58 116.85 2qmb h GLU 120 Ca 0.21 0.05 0.31 0.00 -0.13 0.00 0.00 59.36 59.80 2qmb h GLU 120 Cb 0.49 0.16 -0.10 0.00 0.63 0.00 0.00 28.75 29.93 2qmb h GLU 120 CO -0.91 -0.47 0.73 0.28 -0.73 0.00 0.00 179.01 177.91 2qmb h VAL 121 N -0.72 0.43 0.11 0.32 2.07 -1.54 -2.40 116.25 114.51 2qmb h VAL 121 Ca 0.00 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2qmb h VAL 121 Cb 0.73 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2qmb h VAL 121 CO -0.24 0.05 -0.05 -0.74 0.02 0.00 0.00 177.57 176.61 2qmb h HIS 122 N 0.29 -0.13 -0.91 1.57 -0.00 0.18 -2.81 115.15 113.34 2qmb h HIS 122 Ca 0.64 -0.00 0.28 0.00 -0.00 0.00 0.00 60.37 61.28 2qmb h HIS 122 Cb 1.81 0.04 -0.17 0.00 -0.00 0.00 0.00 27.41 29.10 2qmb h HIS 122 CO -0.00 0.35 0.11 0.00 -0.00 0.00 0.00 177.93 178.39 2qmb n ALA 123 N -2.47 0.56 -0.03 5.26 0.00 0.77 -1.03 120.51 123.57 2qmb n ALA 123 Ca -0.08 0.97 -0.14 0.00 0.00 0.00 0.00 53.44 54.18 2qmb n ALA 123 Cb 0.27 -0.76 -0.11 0.00 0.00 0.00 0.00 19.45 18.86 2qmb n ALA 123 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2qmb h SER 124 N 0.00 0.14 -0.97 0.00 0.02 -1.18 -1.84 113.55 109.72 2qmb h SER 124 Ca 0.60 -0.70 0.31 0.00 -0.84 0.00 0.00 61.79 61.16 2qmb h SER 124 Cb 1.32 -0.04 -0.15 0.00 0.14 0.00 0.00 62.40 63.66 2qmb h SER 124 CO -0.83 0.82 0.43 -0.07 -1.14 0.00 0.00 176.83 176.04 2qmb h LEU 125 N -0.52 0.27 -0.08 5.07 3.38 -1.54 0.69 115.31 122.59 2qmb h LEU 125 Ca -0.01 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2qmb h LEU 125 Cb 0.82 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 2qmb h LEU 125 CO 0.03 -0.20 0.00 -0.78 0.09 0.00 0.00 178.44 177.58 2qmb h ASP 126 N 0.22 0.13 -0.54 -0.43 1.82 -0.29 -1.39 116.42 115.94 2qmb h ASP 126 Ca 0.69 -0.29 0.07 0.00 -0.39 0.00 0.00 57.03 57.11 2qmb h ASP 126 Cb 1.57 -0.04 -0.06 0.00 0.68 0.00 0.00 39.33 41.49 2qmb h ASP 126 CO -0.67 0.39 0.22 0.11 -1.61 0.00 0.00 179.24 177.69 2qmb h LYS 127 N -0.13 0.41 -0.67 0.28 1.57 -0.68 0.13 116.57 117.50 2qmb h LYS 127 Ca 0.02 -0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 2qmb h LYS 127 Cb 0.32 -0.09 -0.12 0.00 0.08 0.00 0.00 32.23 32.42 2qmb h LYS 127 CO 0.00 0.27 -0.35 0.35 -0.57 0.00 0.00 179.45 179.16 2qmb h PHE 128 N 0.43 -0.98 -0.15 -1.35 3.57 -0.55 -0.80 116.94 117.11 2qmb h PHE 128 Ca 0.26 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 2qmb h PHE 128 Cb 0.26 0.53 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2qmb h PHE 128 CO -0.14 -0.39 0.05 -0.07 -2.23 0.00 0.00 178.31 175.53 2qmb h LEU 129 N -0.13 0.21 -0.69 0.59 4.07 0.02 0.68 115.31 120.05 2qmb h LEU 129 Ca 0.25 -0.20 0.15 0.00 0.08 0.00 0.00 57.88 58.16 2qmb h LEU 129 Cb 0.56 -0.06 -0.12 0.00 1.08 0.00 0.00 40.66 42.12 2qmb h LEU 129 CO -0.74 0.35 -0.02 0.00 -1.08 0.00 0.00 178.44 176.95 2qmb h ALA 131 N 1.65 -0.51 -0.01 0.00 0.00 0.58 -0.82 119.26 120.15 2qmb h ALA 131 Ca 0.36 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2qmb h ALA 131 Cb 0.61 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2qmb h ALA 131 CO -0.62 -0.62 0.00 0.28 0.00 0.00 0.00 179.25 178.29 2qmb n VAL 132 N -5.18 0.00 -0.18 0.00 0.31 -0.84 0.62 118.33 113.05 2qmb n VAL 132 Ca -0.10 0.96 -0.10 0.00 -0.01 0.00 0.00 64.34 65.09 2qmb n VAL 132 Cb 0.28 -1.28 -0.08 0.00 -0.91 0.00 0.00 33.84 31.85 2qmb n VAL 132 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2qmb h GLY 133 N 0.00 -1.22 -0.56 2.92 0.00 -0.24 -0.13 103.07 103.83 2qmb h GLY 133 Ca 0.00 0.79 0.05 0.00 0.00 0.00 0.00 47.33 48.17 2qmb h GLY 133 CO 0.00 -0.23 -0.33 2.41 0.00 0.00 0.00 176.54 178.39 2qmb n THR 134 N -4.80 -0.38 -0.18 4.70 -1.04 -0.40 -0.34 114.28 111.84 2qmb n THR 134 Ca -0.01 1.82 -0.02 0.00 -2.04 0.00 0.00 64.05 63.79 2qmb n THR 134 Cb 0.25 -2.30 0.04 0.00 -1.82 0.00 0.00 70.33 66.51 2qmb n THR 134 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2qmb h VAL 135 N 0.00 0.44 0.00 12.58 2.07 0.18 -0.24 116.25 131.28 2qmb h VAL 135 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 2qmb h VAL 135 Cb 0.23 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2qmb h VAL 135 CO -0.53 0.00 0.00 -0.07 0.02 0.00 0.00 177.57 176.99 2qmb h LEU 136 N -0.01 0.00 -3.05 2.57 4.07 0.61 -0.46 115.31 119.03 2qmb h LEU 136 Ca 0.26 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.22 2qmb h LEU 136 Cb 0.41 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.15 2qmb h LEU 136 CO -0.57 0.00 0.00 0.35 -1.08 0.00 0.00 178.44 177.14 2qmb n THR 137 N -2.32 1.58 0.16 0.22 -2.24 0.54 -3.99 114.28 108.23 2qmb n THR 137 Ca -0.00 -1.30 0.01 0.00 -2.27 0.00 0.00 64.05 60.49 2qmb n THR 137 Cb 0.11 0.19 0.26 0.00 -2.10 0.00 0.00 70.33 68.79 2qmb n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qmb h ALA 138 N 2.61 1.07 -0.04 6.98 0.00 -0.67 -0.31 119.26 128.90 2qmb h ALA 138 Ca 0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2qmb h ALA 138 Cb 1.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2qmb h ALA 138 CO 0.12 0.63 0.00 1.63 0.00 0.00 0.00 179.25 181.63 2qmb n LYS 139 N -3.79 1.25 -0.04 0.00 4.76 -1.26 -2.11 118.16 116.97 2qmb n LYS 139 Ca -0.01 -0.21 -0.04 0.00 -2.87 0.00 0.00 58.31 55.18 2qmb n LYS 139 Cb 0.54 -1.53 -0.07 0.00 -1.84 0.00 0.00 35.03 32.13 2qmb n LYS 139 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2qmb n TYR 140 N 0.06 0.00 -1.26 2.13 4.01 -0.13 -4.99 117.16 116.98 2qmb n TYR 140 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2qmb n TYR 140 Cb 0.32 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 2qmb n TYR 140 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94