#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 3.99 0.00 6.55 2.96 -1.26 -5.02 118.68 125.90 2qmb s LEU 2 Ca 0.00 -0.14 -0.13 0.00 -0.22 0.00 0.00 54.13 53.63 2qmb s LEU 2 Cb 0.00 -2.99 0.19 0.00 0.50 0.00 0.00 46.19 43.89 2qmb s LEU 2 CO 0.00 -1.20 0.89 -1.54 -1.32 0.00 0.00 176.35 173.18 2qmb n SER 3 N 7.50 -0.79 0.22 3.68 3.41 -1.26 -4.80 113.62 121.58 2qmb n SER 3 Ca 0.04 -1.18 0.10 0.00 -0.26 0.00 0.00 58.87 57.56 2qmb n SER 3 Cb 0.48 -0.74 0.43 0.00 -0.26 0.00 0.00 64.21 64.12 2qmb n SER 3 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qmb h ALA 4 N -2.17 1.00 0.00 7.33 0.00 -1.99 -1.96 119.26 121.47 2qmb h ALA 4 Ca -0.31 -0.22 -0.25 0.00 0.00 0.00 0.00 54.91 54.14 2qmb h ALA 4 Cb 0.89 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2qmb h ALA 4 CO 0.21 0.30 -1.43 0.00 0.00 0.00 0.00 179.25 178.33 2qmb h ALA 5 N 1.76 0.64 0.01 0.00 0.00 -2.00 -2.29 119.26 117.38 2qmb h ALA 5 Ca -0.00 -1.20 -0.00 0.00 0.00 0.00 0.00 54.91 53.71 2qmb h ALA 5 Cb 0.79 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2qmb h ALA 5 CO 0.03 1.37 -0.01 -0.44 0.00 0.00 0.00 179.25 180.21 2qmb h ASP 6 N 0.00 -0.02 0.11 0.00 3.32 -1.86 -2.23 116.42 115.74 2qmb h ASP 6 Ca -0.18 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 56.68 2qmb h ASP 6 Cb 1.87 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.41 2qmb h ASP 6 CO 0.09 0.08 -0.30 0.11 -1.72 0.00 0.00 179.24 177.50 2qmb h LYS 7 N -0.11 0.30 0.37 3.56 1.57 -1.33 0.41 116.57 121.35 2qmb h LYS 7 Ca -0.00 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 2qmb h LYS 7 Cb 0.11 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2qmb h LYS 7 CO 0.00 0.58 -0.22 -0.91 -0.57 0.00 0.00 179.45 178.33 2qmb h ASN 8 N 0.27 -0.54 -0.77 0.86 4.21 -1.40 -0.23 115.58 117.98 2qmb h ASN 8 Ca 0.04 0.03 0.18 0.00 1.21 0.00 0.00 56.30 57.76 2qmb h ASN 8 Cb 0.67 0.16 -0.13 0.00 -1.12 0.00 0.00 38.32 37.90 2qmb h ASN 8 CO 0.05 -0.35 0.06 0.78 -1.29 0.00 0.00 177.43 176.67 2qmb h ASN 9 N -0.56 -0.25 0.37 5.81 -0.26 -0.07 0.44 115.58 121.05 2qmb h ASN 9 Ca -0.04 0.19 -0.02 0.00 -0.56 0.00 0.00 56.30 55.87 2qmb h ASN 9 Cb 0.46 0.31 0.00 0.00 -1.06 0.00 0.00 38.32 38.04 2qmb h ASN 9 CO 0.05 -0.16 -0.18 0.58 -1.06 0.00 0.00 177.43 176.67 2qmb h VAL 10 N 0.14 0.52 -1.15 2.81 2.07 0.06 -1.59 116.25 119.10 2qmb h VAL 10 Ca 0.43 -0.62 0.35 0.00 0.82 0.00 0.00 66.70 67.68 2qmb h VAL 10 Cb 0.77 0.77 -0.12 0.00 -1.52 0.00 0.00 31.29 31.19 2qmb h VAL 10 CO -0.64 0.10 0.72 0.11 0.02 0.00 0.00 177.57 177.88 2qmb h LYS 11 N -0.90 0.23 -0.13 1.57 1.79 0.23 0.87 116.57 120.23 2qmb h LYS 11 Ca -0.05 -0.01 -0.11 0.00 -2.18 0.00 0.00 60.65 58.29 2qmb h LYS 11 Cb 0.54 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 2qmb h LYS 11 CO 0.08 0.15 -0.36 0.78 -1.08 0.00 0.00 179.45 179.03 2qmb h GLY 12 N 0.24 0.51 1.62 3.86 0.00 0.72 0.50 103.07 110.52 2qmb h GLY 12 Ca 0.73 -0.65 -0.23 0.00 0.00 0.00 0.00 47.33 47.18 2qmb h GLY 12 CO -0.43 0.58 -1.00 1.19 0.00 0.00 0.00 176.54 176.89 2qmb h ILE 13 N 0.07 1.45 -0.32 2.60 2.10 -0.04 -2.42 117.51 120.94 2qmb h ILE 13 Ca -0.01 -2.63 -0.03 0.00 1.08 0.00 0.00 64.86 63.27 2qmb h ILE 13 Cb 0.97 2.55 -0.02 0.00 -1.09 0.00 0.00 36.82 39.24 2qmb h ILE 13 CO 0.08 0.78 0.07 -0.26 -1.08 0.00 0.00 178.15 177.73 2qmb h PHE 14 N 0.16 0.47 -0.75 2.19 0.04 -0.90 0.07 116.94 118.22 2qmb h PHE 14 Ca -0.08 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.65 2qmb h PHE 14 Cb 1.65 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 39.62 2qmb h PHE 14 CO 0.05 0.43 0.44 1.15 -0.60 0.00 0.00 178.31 179.78 2qmb h THR 15 N 0.46 1.22 0.00 -1.55 2.02 -0.59 -0.46 112.91 114.01 2qmb h THR 15 Ca 0.11 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2qmb h THR 15 Cb 0.20 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2qmb h THR 15 CO -0.00 0.23 0.00 0.29 0.37 0.00 0.00 175.52 176.41 2qmb n LYS 16 N -4.49 0.17 -0.06 6.66 5.02 -0.10 -4.13 118.16 121.24 2qmb n LYS 16 Ca 0.07 0.37 -0.06 0.00 -2.02 0.00 0.00 58.31 56.67 2qmb n LYS 16 Cb 0.07 -1.81 -0.02 0.00 -0.02 0.00 0.00 35.03 33.25 2qmb n LYS 16 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2qmb n ILE 17 N -2.13 1.05 0.00 -0.18 5.41 -0.27 -4.79 119.36 118.44 2qmb n ILE 17 Ca 0.03 0.25 0.00 0.00 1.00 0.00 0.00 62.75 64.03 2qmb n ILE 17 Cb 0.25 -2.05 0.00 0.00 -0.71 0.00 0.00 39.64 37.13 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 -3.83 0.00 0.04 -1.39 0.00 -0.68 -0.20 120.51 114.45 2qmb n ALA 18 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 2qmb n ALA 18 Cb 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.74 2qmb n ALA 18 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2qmb h GLY 19 N 0.00 -0.55 -1.81 0.00 0.00 -1.87 -1.46 103.07 97.38 2qmb h GLY 19 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2qmb h GLY 19 CO 0.00 -0.23 0.00 1.42 0.00 0.00 0.00 176.54 177.73 2qmb n HIS 20 N -5.42 0.00 -0.18 5.60 8.25 0.72 -4.61 115.22 119.58 2qmb n HIS 20 Ca -0.04 -0.31 -0.10 0.00 -0.26 0.00 0.00 57.72 57.01 2qmb n HIS 20 Cb 0.34 -0.19 0.01 0.00 1.12 0.00 0.00 29.99 31.27 2qmb n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qmb h ALA 21 N 1.96 0.71 -0.13 -1.41 0.00 -1.40 -2.40 119.26 116.59 2qmb h ALA 21 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2qmb h ALA 21 Cb 0.70 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2qmb h ALA 21 CO 0.00 0.53 0.05 0.93 0.00 0.00 0.00 179.25 180.76 2qmb h GLU 22 N 0.81 0.18 0.06 0.00 3.07 -1.84 -1.06 114.58 115.80 2qmb h GLU 22 Ca 0.15 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 58.87 2qmb h GLU 22 Cb 0.53 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 2qmb h GLU 22 CO 0.03 0.16 -0.62 0.93 -1.40 0.00 0.00 179.01 178.10 2qmb h GLU 23 N 0.18 0.12 -0.42 2.33 5.08 -1.81 -3.10 114.58 116.97 2qmb h GLU 23 Ca 0.05 -0.21 0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2qmb h GLU 23 Cb 0.05 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2qmb h GLU 23 CO -0.00 1.10 0.29 1.88 -1.00 0.00 0.00 179.01 181.27 2qmb h TYR 24 N -0.71 0.22 -0.07 4.33 0.05 -1.54 0.56 116.97 119.82 2qmb h TYR 24 Ca -0.13 0.01 -0.10 0.00 0.05 0.00 0.00 58.73 58.55 2qmb h TYR 24 Cb 1.34 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 39.00 2qmb h TYR 24 CO 0.21 0.12 -0.41 0.78 -1.05 0.00 0.00 178.16 177.80 2qmb h GLY 25 N 0.22 0.16 0.43 3.88 0.00 -1.17 -1.60 103.07 104.98 2qmb h GLY 25 Ca 0.19 -0.14 -0.36 0.00 0.00 0.00 0.00 47.33 47.02 2qmb h GLY 25 CO -0.03 0.13 -2.13 0.00 0.00 0.00 0.00 176.54 174.50 2qmb n ALA 26 N -2.47 1.23 0.00 3.60 0.00 -0.40 -2.80 120.51 119.68 2qmb n ALA 26 Ca -0.02 -0.87 -0.00 0.00 0.00 0.00 0.00 53.44 52.56 2qmb n ALA 26 Cb 0.46 -0.48 0.29 0.00 0.00 0.00 0.00 19.45 19.73 2qmb n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2qmb h GLU 27 N 0.03 0.51 -0.04 0.00 4.81 -0.93 -0.14 114.58 118.82 2qmb h GLU 27 Ca -0.46 -0.11 0.04 0.00 -0.13 0.00 0.00 59.36 58.69 2qmb h GLU 27 Cb 2.02 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 31.28 2qmb h GLU 27 CO 0.03 0.55 -0.26 1.15 -0.73 0.00 0.00 179.01 179.76 2qmb h THR 28 N 0.49 0.41 -0.08 0.32 2.02 -1.31 -2.19 112.91 112.58 2qmb h THR 28 Ca 0.10 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 2qmb h THR 28 Cb 0.35 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 2qmb h THR 28 CO 0.01 0.00 -0.02 0.25 0.37 0.00 0.00 175.52 176.13 2qmb h LEU 29 N -0.38 0.16 -1.67 2.58 5.85 -1.30 -2.37 115.31 118.18 2qmb h LEU 29 Ca 0.07 -0.38 0.22 0.00 0.84 0.00 0.00 57.88 58.63 2qmb h LEU 29 Cb 0.48 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 2qmb h LEU 29 CO -0.25 0.50 0.60 -0.33 -0.34 0.00 0.00 178.44 178.62 2qmb h GLU 30 N -0.19 0.25 0.05 1.25 5.08 -0.91 -1.46 114.58 118.66 2qmb h GLU 30 Ca 0.02 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.07 2qmb h GLU 30 Cb 0.43 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2qmb h GLU 30 CO 0.01 0.17 -1.61 0.00 -1.00 0.00 0.00 179.01 176.58 2qmb h ARG 31 N 0.26 0.11 -0.22 2.33 3.08 -1.22 -1.94 114.38 116.78 2qmb h ARG 31 Ca 0.45 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 60.25 2qmb h ARG 31 Cb 1.34 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 2qmb h ARG 31 CO -0.12 0.84 -0.15 1.98 -1.07 0.00 0.00 179.97 181.45 2qmb h MET 32 N 0.03 0.37 0.10 0.04 4.05 -0.75 0.16 114.93 118.94 2qmb h MET 32 Ca -0.26 -0.10 -0.29 0.00 -0.28 0.00 0.00 59.70 58.77 2qmb h MET 32 Cb 1.99 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 32.73 2qmb h MET 32 CO 0.11 0.52 -1.42 0.74 0.23 0.00 0.00 176.91 177.09 2qmb h PHE 33 N 0.35 0.39 -0.10 1.39 0.04 -1.26 1.30 116.94 119.05 2qmb h PHE 33 Ca 0.07 -0.28 -0.08 0.00 2.80 0.00 0.00 57.97 60.47 2qmb h PHE 33 Cb 0.47 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.61 2qmb h PHE 33 CO 0.01 1.29 -0.24 0.82 -0.60 0.00 0.00 178.31 179.59 2qmb h ILE 34 N 0.06 1.39 -0.15 -0.55 2.04 -1.24 -3.32 117.51 115.74 2qmb h ILE 34 Ca -0.20 -1.55 -0.10 0.00 1.00 0.00 0.00 64.86 64.02 2qmb h ILE 34 Cb 1.98 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 40.19 2qmb h ILE 34 CO 0.16 0.45 -0.29 0.74 0.00 0.00 0.00 178.15 179.21 2qmb h THR 35 N -0.09 1.36 -2.72 -0.27 2.02 -0.74 -3.37 112.91 109.09 2qmb h THR 35 Ca -0.00 -1.55 -0.63 0.00 0.77 0.00 0.00 66.41 65.00 2qmb h THR 35 Cb 0.84 1.98 -0.40 0.00 -1.74 0.00 0.00 68.15 68.83 2qmb h THR 35 CO 0.05 0.46 -0.43 -1.22 0.37 0.00 0.00 175.52 174.76 2qmb n TYR 36 N -4.39 3.51 0.11 3.16 4.02 0.45 -4.94 117.16 119.09 2qmb n TYR 36 Ca -0.06 -4.12 0.18 0.00 -0.01 0.00 0.00 57.90 53.89 2qmb n TYR 36 Cb 0.47 -0.71 0.74 0.00 -0.02 0.00 0.00 39.34 39.82 2qmb n TYR 36 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 2qmb h PRO 37 N 4.94 0.00 0.00 -0.72 0.11 -1.74 0.65 132.00 135.24 2qmb h PRO 37 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 2qmb h PRO 37 Cb 0.71 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2qmb h PRO 37 CO 0.83 0.00 0.00 -1.35 -0.21 0.00 0.00 178.00 177.27 2qmb h PRO 38 N 0.00 0.00 0.00 1.05 0.11 -1.92 -1.59 132.00 129.65 2qmb h PRO 38 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 2qmb h PRO 38 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 2qmb h PRO 38 CO -0.00 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.04 2qmb n THR 39 N -2.62 1.04 0.18 -1.15 -2.24 0.23 -2.59 114.28 107.12 2qmb n THR 39 Ca -0.02 0.27 0.07 0.00 -2.27 0.00 0.00 64.05 62.10 2qmb n THR 39 Cb 0.07 -1.08 0.20 0.00 -2.10 0.00 0.00 70.33 67.42 2qmb n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2qmb h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.48 -3.10 116.57 112.78 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 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2qmb h LYS 40 CO 0.00 0.31 0.04 1.15 -0.57 0.00 0.00 179.45 180.38 2qmb h THR 41 N 0.00 0.00 -0.03 -0.16 2.02 -1.69 0.50 112.91 113.56 2qmb h THR 41 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qmb h THR 41 Cb 1.09 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2qmb h THR 41 CO 0.04 0.00 -0.14 -1.22 0.37 0.00 0.00 175.52 174.57 2qmb n TYR 42 N -2.36 0.00 -3.17 3.16 4.01 -1.17 -4.51 117.16 113.12 2qmb n TYR 42 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.50 2qmb n TYR 42 Cb 0.07 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.05 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 0.92 1.47 -0.01 -0.72 3.72 0.18 -4.87 117.46 118.16 2qmb n PHE 43 Ca 0.12 -3.85 -0.09 0.00 -0.05 0.00 0.00 57.45 53.58 2qmb n PHE 43 Cb 0.55 -0.44 -0.14 0.00 -0.94 0.00 0.00 39.48 38.51 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 3.41 0.03 -0.23 -1.08 0.14 -1.79 -2.13 132.00 130.33 2qmb h PRO 44 Ca 0.11 -0.04 0.00 0.00 0.14 0.00 0.00 66.00 66.21 2qmb h PRO 44 Cb 0.79 0.02 0.00 0.00 0.14 0.00 0.00 31.00 31.95 2qmb h PRO 44 CO 0.62 0.62 0.00 -2.39 0.14 0.00 0.00 178.00 176.99 2qmb n HIS 45 N -3.12 0.00 -3.68 1.56 1.44 -1.26 -4.90 115.22 105.25 2qmb n HIS 45 Ca -0.16 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.22 2qmb n HIS 45 Cb 1.04 -0.02 -0.05 0.00 0.12 0.00 0.00 29.99 31.07 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 -1.75 3.53 -0.94 -1.40 0.40 -0.80 -5.02 117.98 112.00 2qmb s PHE 46 Ca 0.00 0.60 -0.25 0.00 -0.60 0.00 0.00 56.93 56.69 2qmb s PHE 46 Cb 0.00 -2.03 -0.09 0.00 0.51 0.00 0.00 43.02 41.41 2qmb s PHE 46 CO 0.00 0.51 2.06 0.34 0.70 0.00 0.00 175.22 178.83 2qmb s ASP 47 N -2.08 4.71 0.00 1.36 2.15 -1.26 -4.83 116.67 116.71 2qmb s ASP 47 Ca 0.35 -0.72 0.10 0.00 0.43 0.00 0.00 52.55 52.71 2qmb s ASP 47 Cb -0.13 -2.57 0.59 0.00 -0.30 0.00 0.00 42.92 40.52 2qmb s ASP 47 CO 0.21 -3.22 1.30 0.18 -0.17 0.00 0.00 175.17 173.47 2qmb n LEU 48 N 15.55 0.00 -4.77 -1.34 4.77 -1.26 -4.60 117.00 125.34 2qmb n LEU 48 Ca 0.43 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 56.03 2qmb n LEU 48 Cb 0.46 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2qmb n LEU 48 CO 0.60 0.00 0.79 -0.94 -1.33 0.00 0.00 177.39 176.51 2qmb s SER 49 N -1.41 6.59 -0.02 -1.43 1.04 -1.26 -4.95 113.70 112.25 2qmb s SER 49 Ca 0.15 2.20 -0.38 0.00 0.48 0.00 0.00 55.95 58.40 2qmb s SER 49 Cb 0.07 -2.60 -0.19 0.00 0.10 0.00 0.00 66.02 63.40 2qmb s SER 49 CO 0.11 -0.62 1.04 1.57 0.98 0.00 0.00 173.24 176.32 2qmb n HIS 50 N -0.05 0.66 0.00 5.02 -0.00 -1.26 -1.70 115.22 117.89 2qmb n HIS 50 Ca 0.05 1.01 0.00 0.00 0.46 0.00 0.00 57.72 59.24 2qmb n HIS 50 Cb 0.48 -1.99 0.00 0.00 -0.12 0.00 0.00 29.99 28.36 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 1.53 2.81 2.31 1.57 0.00 -1.26 -5.01 105.19 107.14 2qmb n GLY 51 Ca 0.19 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 0.43 -4.00 -0.21 1.61 3.41 -0.69 -4.72 113.62 109.45 2qmb n SER 52 Ca 0.00 0.10 0.06 0.00 -0.26 0.00 0.00 58.87 58.77 2qmb n SER 52 Cb 0.00 -0.53 -0.01 0.00 -0.26 0.00 0.00 64.21 63.41 2qmb n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qmb n ALA 53 N -2.14 3.04 0.08 7.33 0.00 -1.26 -3.00 120.51 124.57 2qmb n ALA 53 Ca -0.02 -0.43 -0.22 0.00 0.00 0.00 0.00 53.44 52.78 2qmb n ALA 53 Cb 0.47 -0.41 -0.15 0.00 0.00 0.00 0.00 19.45 19.36 2qmb n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2qmb h GLN 54 N 1.03 0.39 -0.75 0.00 4.20 -1.87 -2.85 115.11 115.26 2qmb h GLN 54 Ca 0.00 -0.66 0.16 0.00 0.06 0.00 0.00 58.65 58.21 2qmb h GLN 54 Cb 0.37 0.24 -0.14 0.00 0.30 0.00 0.00 27.48 28.26 2qmb h GLN 54 CO 0.00 1.31 -0.10 0.82 -0.67 0.00 0.00 178.83 180.19 2qmb h ILE 55 N -0.18 0.28 0.00 2.54 2.04 -1.84 1.23 117.51 121.58 2qmb h ILE 55 Ca -0.18 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 2qmb h ILE 55 Cb 1.81 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2qmb h ILE 55 CO 0.20 0.01 -0.00 0.11 0.00 0.00 0.00 178.15 178.46 2qmb h LYS 56 N 0.04 0.00 0.00 2.37 1.57 -1.41 0.54 116.57 119.68 2qmb h LYS 56 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2qmb h LYS 56 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 2qmb h LYS 56 CO -0.73 0.00 -1.17 0.41 -0.57 0.00 0.00 179.45 177.39 2qmb n GLY 57 N -1.53 -0.36 0.15 3.86 0.00 -0.36 -2.22 105.19 104.73 2qmb n GLY 57 Ca -0.03 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 2qmb n GLY 57 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2qmb h HIS 58 N 0.00 0.47 0.00 1.61 -0.00 0.25 -2.83 115.15 114.64 2qmb h HIS 58 Ca 0.00 -0.12 -0.03 0.00 -0.00 0.00 0.00 60.37 60.22 2qmb h HIS 58 Cb 0.43 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.73 2qmb h HIS 58 CO 0.00 0.71 -0.13 0.78 -0.00 0.00 0.00 177.93 179.29 2qmb h GLY 59 N 0.09 0.00 0.91 5.26 0.00 -0.07 0.92 103.07 110.19 2qmb h GLY 59 Ca 0.04 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.40 2qmb h GLY 59 CO 0.03 0.00 0.50 1.70 0.00 0.00 0.00 176.54 178.76 2qmb h LYS 60 N 0.00 0.95 -0.28 4.80 3.11 -1.31 -3.20 116.57 120.65 2qmb h LYS 60 Ca -0.00 -0.06 -0.17 0.00 -2.81 0.00 0.00 60.65 57.62 2qmb h LYS 60 Cb 0.34 -0.21 -0.00 0.00 -1.00 0.00 0.00 32.23 31.36 2qmb h LYS 60 CO 0.02 0.63 -0.49 0.87 -2.81 0.00 0.00 179.45 177.67 2qmb h LYS 61 N 0.98 0.77 0.26 1.90 1.57 0.11 -1.47 116.57 120.69 2qmb h LYS 61 Ca 0.30 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2qmb h LYS 61 Cb -0.03 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2qmb h LYS 61 CO -0.10 1.08 -0.51 0.28 -0.57 0.00 0.00 179.45 179.63 2qmb h VAL 62 N 0.60 0.02 0.00 0.50 2.07 -1.33 -0.93 116.25 117.18 2qmb h VAL 62 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2qmb h VAL 62 Cb 1.06 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2qmb h VAL 62 CO 0.10 0.00 -0.01 0.55 0.02 0.00 0.00 177.57 178.24 2qmb n VAL 63 N -5.51 0.51 0.00 2.57 3.14 -1.15 -2.21 118.33 115.68 2qmb n VAL 63 Ca -0.10 -0.25 -0.13 0.00 -2.96 0.00 0.00 64.34 60.91 2qmb n VAL 63 Cb 0.43 -0.57 -0.00 0.00 -1.06 0.00 0.00 33.84 32.64 2qmb n VAL 63 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qmb h ALA 64 N 2.59 0.52 -0.64 1.55 0.00 -0.84 0.13 119.26 122.56 2qmb h ALA 64 Ca 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2qmb h ALA 64 Cb 0.71 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2qmb h ALA 64 CO 0.00 0.71 0.30 0.00 0.00 0.00 0.00 179.25 180.26 2qmb h ALA 65 N 0.80 0.83 0.32 0.00 0.00 -0.70 0.26 119.26 120.77 2qmb h ALA 65 Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2qmb h ALA 65 Cb 1.27 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2qmb h ALA 65 CO 0.13 0.40 -0.15 1.25 0.00 0.00 0.00 179.25 180.88 2qmb h LEU 66 N 0.89 -0.36 -1.72 0.00 5.85 -1.32 -1.92 115.31 116.72 2qmb h LEU 66 Ca 0.22 -0.16 0.46 0.00 0.84 0.00 0.00 57.88 59.25 2qmb h LEU 66 Cb 0.14 0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.16 2qmb h LEU 66 CO -0.03 -0.02 1.05 0.40 -0.34 0.00 0.00 178.44 179.51 2qmb h ILE 67 N -0.73 0.14 0.00 4.05 5.03 -0.49 -1.38 117.51 124.13 2qmb h ILE 67 Ca -0.04 -0.02 -0.00 0.00 -0.12 0.00 0.00 64.86 64.68 2qmb h ILE 67 Cb 0.50 0.09 0.00 0.00 -3.03 0.00 0.00 36.82 34.37 2qmb h ILE 67 CO 0.07 0.01 -0.00 -0.08 -0.68 0.00 0.00 178.15 177.47 2qmb h GLU 68 N 0.05 -0.01 -0.35 2.37 4.81 -0.22 -2.94 114.58 118.30 2qmb h GLU 68 Ca 0.81 0.00 0.10 0.00 -0.13 0.00 0.00 59.36 60.14 2qmb h GLU 68 Cb 2.92 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 32.29 2qmb h GLU 68 CO -0.20 0.72 0.49 0.00 -0.73 0.00 0.00 179.01 179.30 2qmb h ALA 69 N 0.23 1.99 0.03 2.92 0.00 -0.63 -2.63 119.26 121.17 2qmb h ALA 69 Ca -0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 2qmb h ALA 69 Cb 0.73 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.56 2qmb h ALA 69 CO 0.00 -0.67 -0.59 0.00 0.00 0.00 0.00 179.25 177.99 2qmb h ALA 70 N 1.35 0.03 0.00 0.00 0.00 -1.10 -2.61 119.26 116.92 2qmb h ALA 70 Ca 0.16 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 2qmb h ALA 70 Cb 1.14 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2qmb h ALA 70 CO -0.00 0.32 -0.00 -0.91 0.00 0.00 0.00 179.25 178.66 2qmb h ASN 71 N -0.23 0.00 -2.05 0.00 -0.26 -1.40 -3.09 115.58 108.55 2qmb h ASN 71 Ca -0.08 0.00 -0.55 0.00 -0.56 0.00 0.00 56.30 55.11 2qmb h ASN 71 Cb 1.34 0.00 -0.41 0.00 -1.06 0.00 0.00 38.32 38.19 2qmb h ASN 71 CO 0.12 0.00 -0.84 1.41 -1.06 0.00 0.00 177.43 177.06 2qmb n HIS 72 N -3.09 2.74 0.36 1.19 8.25 -1.14 -4.85 115.22 118.69 2qmb n HIS 72 Ca -0.03 -3.78 0.14 0.00 -0.26 0.00 0.00 57.72 53.79 2qmb n HIS 72 Cb 0.08 -0.42 0.50 0.00 1.12 0.00 0.00 29.99 31.27 2qmb n HIS 72 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 2qmb h ILE 73 N 2.38 0.00 -0.06 1.59 2.10 -1.38 -2.00 117.51 120.14 2qmb h ILE 73 Ca 0.13 -0.50 -0.04 0.00 1.08 0.00 0.00 64.86 65.52 2qmb h ILE 73 Cb 0.72 1.42 -0.01 0.00 -1.09 0.00 0.00 36.82 37.86 2qmb h ILE 73 CO 0.72 0.00 -0.15 0.44 -1.08 0.00 0.00 178.15 178.08 2qmb h ASP 74 N 0.00 0.09 -2.04 2.19 3.32 -1.88 -3.24 116.42 114.86 2qmb h ASP 74 Ca 0.00 -0.02 -0.53 0.00 0.02 0.00 0.00 57.03 56.50 2qmb h ASP 74 Cb 0.59 -0.02 -0.40 0.00 0.22 0.00 0.00 39.33 39.71 2qmb h ASP 74 CO 0.00 0.25 -1.06 -0.67 -1.72 0.00 0.00 179.24 176.04 2qmb n ASP 75 N -4.32 1.11 -0.30 6.45 2.03 -0.76 -4.96 116.55 115.79 2qmb n ASP 75 Ca -0.02 -2.97 0.14 0.00 0.52 0.00 0.00 54.79 52.47 2qmb n ASP 75 Cb 0.24 -0.63 0.31 0.00 -0.72 0.00 0.00 41.12 40.33 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 1.78 0.38 -0.22 5.18 2.04 -1.55 -1.67 117.51 123.45 2qmb h ILE 76 Ca 0.10 -0.10 -0.12 0.00 1.00 0.00 0.00 64.86 65.74 2qmb h ILE 76 Cb 0.87 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2qmb h ILE 76 CO 0.54 0.06 -0.32 0.00 0.00 0.00 0.00 178.15 178.42 2qmb h ALA 77 N 1.75 0.34 0.26 1.87 0.00 -1.93 0.58 119.26 122.14 2qmb h ALA 77 Ca 0.57 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2qmb h ALA 77 Cb 1.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2qmb h ALA 77 CO -0.59 0.38 -0.22 0.78 0.00 0.00 0.00 179.25 179.59 2qmb h GLY 78 N 0.31 -0.90 -1.29 0.00 0.00 -1.95 -2.27 103.07 96.97 2qmb h GLY 78 Ca 0.02 0.40 0.47 0.00 0.00 0.00 0.00 47.33 48.21 2qmb h GLY 78 CO 0.07 -0.30 0.91 -0.84 0.00 0.00 0.00 176.54 176.38 2qmb h THR 79 N -0.47 0.06 -0.01 4.70 2.02 -0.98 -3.13 112.91 115.10 2qmb h THR 79 Ca -0.03 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.13 2qmb h THR 79 Cb 0.40 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 2qmb h THR 79 CO -0.01 0.01 -0.27 0.18 0.37 0.00 0.00 175.52 175.80 2qmb n LEU 80 N -4.66 1.29 0.28 2.58 4.32 0.17 -4.62 117.00 116.36 2qmb n LEU 80 Ca 0.39 -0.74 0.14 0.00 -0.02 0.00 0.00 56.01 55.78 2qmb n LEU 80 Cb 1.54 0.00 0.86 0.00 -1.62 0.00 0.00 43.42 44.20 2qmb n LEU 80 CO 0.21 0.26 1.12 0.28 -1.22 0.00 0.00 177.39 178.04 2qmb h SER 81 N 1.24 0.00 -0.55 -1.43 0.02 -1.36 0.53 113.55 111.99 2qmb h SER 81 Ca 0.00 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.11 2qmb h SER 81 Cb 0.40 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2qmb h SER 81 CO 0.00 0.00 0.62 0.07 -1.14 0.00 0.00 176.83 176.38 2qmb h LYS 82 N 0.00 0.00 -0.01 3.45 2.10 -1.82 -2.72 116.57 117.57 2qmb h LYS 82 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2qmb h LYS 82 Cb 0.03 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.36 2qmb h LYS 82 CO -0.00 0.00 -0.32 1.28 -2.00 0.00 0.00 179.45 178.41 2qmb n LEU 83 N -3.58 1.69 -0.07 7.07 4.32 0.18 -4.15 117.00 122.47 2qmb n LEU 83 Ca 0.11 -0.57 -0.10 0.00 -0.02 0.00 0.00 56.01 55.43 2qmb n LEU 83 Cb 0.83 -0.05 -0.08 0.00 -1.62 0.00 0.00 43.42 42.50 2qmb n LEU 83 CO 0.26 0.31 0.16 0.28 -1.22 0.00 0.00 177.39 177.18 2qmb h SER 84 N 2.15 0.00 -1.00 -1.43 0.02 -1.61 -2.59 113.55 109.09 2qmb h SER 84 Ca 0.00 -0.59 0.17 0.00 -0.84 0.00 0.00 61.79 60.53 2qmb h SER 84 Cb 0.66 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.03 2qmb h SER 84 CO 0.00 0.87 -0.34 -0.67 -1.14 0.00 0.00 176.83 175.54 2qmb n ASP 85 N -4.65 -0.55 0.11 3.07 2.03 -1.24 0.70 116.55 116.02 2qmb n ASP 85 Ca -0.08 1.73 -0.01 0.00 0.52 0.00 0.00 54.79 56.95 2qmb n ASP 85 Cb 0.33 -0.44 0.26 0.00 -0.72 0.00 0.00 41.12 40.55 2qmb n ASP 85 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 2qmb h LEU 86 N 0.00 0.19 0.04 -2.67 5.85 -1.75 -1.64 115.31 115.34 2qmb h LEU 86 Ca 0.39 -0.08 -0.34 0.00 0.84 0.00 0.00 57.88 58.69 2qmb h LEU 86 Cb 0.64 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2qmb h LEU 86 CO -1.00 0.57 -2.02 1.41 -0.34 0.00 0.00 178.44 177.05 2qmb n HIS 87 N -4.06 0.80 -0.08 1.25 8.25 0.22 -0.13 115.22 121.48 2qmb n HIS 87 Ca -0.01 0.22 -0.08 0.00 -0.26 0.00 0.00 57.72 57.59 2qmb n HIS 87 Cb 0.45 -1.12 -0.03 0.00 1.12 0.00 0.00 29.99 30.40 2qmb n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qmb n ALA 88 N -2.84 0.52 0.28 -1.41 0.00 0.65 -1.58 120.51 116.15 2qmb n ALA 88 Ca -0.29 -0.45 -0.12 0.00 0.00 0.00 0.00 53.44 52.59 2qmb n ALA 88 Cb 1.06 -0.07 -0.05 0.00 0.00 0.00 0.00 19.45 20.39 2qmb n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qmb h HIS 89 N -1.00 -0.70 0.03 0.00 3.86 -1.49 -2.94 115.15 112.92 2qmb h HIS 89 Ca -0.06 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 2qmb h HIS 89 Cb 0.66 0.23 0.00 0.00 1.06 0.00 0.00 27.41 29.36 2qmb h HIS 89 CO -0.18 -0.43 -0.01 0.87 0.86 0.00 0.00 177.93 179.03 2qmb h LYS 90 N -1.00 -0.04 0.00 2.45 6.56 -0.94 -3.02 116.57 120.58 2qmb h LYS 90 Ca -0.08 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.51 2qmb h LYS 90 Cb 0.58 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 32.24 2qmb h LYS 90 CO 0.13 0.49 -0.02 -0.07 -2.06 0.00 0.00 179.45 177.91 2qmb h LEU 91 N -0.97 0.00 -3.41 2.94 4.07 -0.67 -3.49 115.31 113.78 2qmb h LEU 91 Ca -0.00 0.00 -0.36 0.00 0.08 0.00 0.00 57.88 57.60 2qmb h LEU 91 Cb 0.54 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.29 2qmb h LEU 91 CO 0.01 0.02 -1.00 0.54 -1.08 0.00 0.00 178.44 176.93 2qmb n ARG 92 N -3.11 -1.78 -3.69 1.13 1.74 -0.96 -4.93 116.66 105.06 2qmb n ARG 92 Ca 0.02 1.24 -0.36 0.00 -0.77 0.00 0.00 57.85 57.98 2qmb n ARG 92 Cb 0.42 -2.80 -0.07 0.00 -1.02 0.00 0.00 32.46 28.99 2qmb n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qmb s VAL 93 N -2.30 5.38 0.10 1.55 1.01 -0.61 -5.02 120.40 120.51 2qmb s VAL 93 Ca 0.19 0.34 -0.31 0.00 0.00 0.00 0.00 61.98 62.20 2qmb s VAL 93 Cb -0.02 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 2qmb s VAL 93 CO 0.86 0.47 1.30 -0.62 0.00 0.00 0.00 175.10 177.11 2qmb s ASP 94 N 0.04 6.94 0.62 3.32 -1.08 -1.26 -4.85 116.67 120.40 2qmb s ASP 94 Ca 0.13 2.21 0.33 0.00 -0.52 0.00 0.00 52.55 54.69 2qmb s ASP 94 Cb -0.12 -2.59 1.83 0.00 -1.46 0.00 0.00 42.92 40.58 2qmb s ASP 94 CO 0.02 -0.56 2.13 -0.65 0.52 0.00 0.00 175.17 176.62 2qmb h PRO 95 N 6.62 0.00 -0.72 4.34 0.11 -2.00 0.91 132.00 141.26 2qmb h PRO 95 Ca -0.42 0.00 0.20 0.00 0.11 0.00 0.00 66.00 65.89 2qmb h PRO 95 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2qmb h PRO 95 CO 0.83 0.00 0.51 0.28 -0.21 0.00 0.00 178.00 179.42 2qmb h VAL 96 N 0.00 0.65 0.00 3.15 2.07 -2.03 -2.30 116.25 117.80 2qmb h VAL 96 Ca 0.05 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 2qmb h VAL 96 Cb 0.41 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2qmb h VAL 96 CO -0.00 0.01 -0.03 0.78 0.02 0.00 0.00 177.57 178.35 2qmb h ASN 97 N 0.04 0.00 0.61 0.57 2.35 0.52 -2.16 115.58 117.51 2qmb h ASN 97 Ca 0.35 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.83 2qmb h ASN 97 Cb 1.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.69 2qmb h ASN 97 CO -0.02 0.03 -1.22 -0.26 -1.65 0.00 0.00 177.43 174.31 2qmb h PHE 98 N 0.00 0.50 -0.31 1.19 0.04 -1.57 -0.71 116.94 116.07 2qmb h PHE 98 Ca -0.00 -0.36 0.01 0.00 2.80 0.00 0.00 57.97 60.43 2qmb h PHE 98 Cb 0.79 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.90 2qmb h PHE 98 CO 0.00 1.27 0.18 0.87 -0.60 0.00 0.00 178.31 180.03 2qmb h LYS 99 N 0.08 0.36 -0.12 1.51 1.57 -1.51 0.08 116.57 118.55 2qmb h LYS 99 Ca -0.13 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2qmb h LYS 99 Cb 1.94 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 34.10 2qmb h LYS 99 CO 0.20 0.24 -0.54 -0.07 -0.57 0.00 0.00 179.45 178.71 2qmb h LEU 100 N 0.37 -1.71 -0.69 2.94 4.07 -1.37 0.97 115.31 119.89 2qmb h LEU 100 Ca 0.12 0.20 0.04 0.00 0.08 0.00 0.00 57.88 58.33 2qmb h LEU 100 Cb 0.00 0.67 -0.05 0.00 1.08 0.00 0.00 40.66 42.36 2qmb h LEU 100 CO -0.06 -0.49 0.41 0.25 -1.08 0.00 0.00 178.44 177.47 2qmb h LEU 101 N -0.60 0.65 -1.75 1.67 6.46 -1.07 -0.40 115.31 120.28 2qmb h LEU 101 Ca 0.03 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2qmb h LEU 101 Cb 0.69 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 2qmb h LEU 101 CO -0.43 0.44 0.21 1.23 -0.62 0.00 0.00 178.44 179.27 2qmb h GLY 102 N 0.79 0.37 1.59 3.75 0.00 -0.02 0.33 103.07 109.87 2qmb h GLY 102 Ca 0.29 -0.13 -0.22 0.00 0.00 0.00 0.00 47.33 47.27 2qmb h GLY 102 CO -0.14 0.12 -0.91 -1.61 0.00 0.00 0.00 176.54 173.99 2qmb h GLN 103 N 0.33 0.37 0.00 4.80 4.15 0.24 -2.28 115.11 122.72 2qmb h GLN 103 Ca 0.12 -0.39 -0.05 0.00 0.77 0.00 0.00 58.65 59.10 2qmb h GLN 103 Cb 0.08 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 2qmb h GLN 103 CO -0.03 1.07 -0.24 0.00 -1.93 0.00 0.00 178.83 177.70 2qmb h PHE 105 N 0.00 0.76 -0.20 0.00 3.57 -0.29 -1.96 116.94 118.81 2qmb h PHE 105 Ca -0.00 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 2qmb h PHE 105 Cb 0.89 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 2qmb h PHE 105 CO 0.00 0.58 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.51 2qmb h LEU 106 N 0.71 0.29 -0.36 0.59 3.38 -0.88 0.26 115.31 119.31 2qmb h LEU 106 Ca 0.18 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2qmb h LEU 106 Cb 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2qmb h LEU 106 CO -0.02 0.42 -0.12 0.58 0.09 0.00 0.00 178.44 179.39 2qmb h VAL 107 N 0.30 1.28 -0.58 1.22 2.07 -0.96 0.12 116.25 119.70 2qmb h VAL 107 Ca 0.06 -1.20 -0.03 0.00 0.82 0.00 0.00 66.70 66.35 2qmb h VAL 107 Cb 0.35 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2qmb h VAL 107 CO 0.02 0.40 0.25 0.58 0.02 0.00 0.00 177.57 178.83 2qmb h VAL 108 N 0.50 1.20 -0.48 2.57 2.07 -0.72 0.22 116.25 121.61 2qmb h VAL 108 Ca 0.09 -0.61 -0.08 0.00 0.82 0.00 0.00 66.70 66.92 2qmb h VAL 108 Cb 0.64 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2qmb h VAL 108 CO 0.04 0.24 -0.02 0.58 0.02 0.00 0.00 177.57 178.44 2qmb h VAL 109 N 0.82 1.25 0.00 2.57 2.07 0.33 -2.90 116.25 120.39 2qmb h VAL 109 Ca 0.20 -1.04 -0.10 0.00 0.82 0.00 0.00 66.70 66.58 2qmb h VAL 109 Cb 0.13 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2qmb h VAL 109 CO -0.02 0.37 -0.46 0.00 0.02 0.00 0.00 177.57 177.48 2qmb h ALA 110 N 1.22 1.03 0.01 1.67 0.00 0.20 -0.21 119.26 123.19 2qmb h ALA 110 Ca 0.14 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2qmb h ALA 110 Cb 0.48 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2qmb h ALA 110 CO 0.02 0.57 -0.01 0.82 0.00 0.00 0.00 179.25 180.66 2qmb h ILE 111 N 0.00 1.47 0.00 0.00 2.04 -0.91 -3.02 117.51 117.10 2qmb h ILE 111 Ca -0.00 -1.55 -0.11 0.00 1.00 0.00 0.00 64.86 64.20 2qmb h ILE 111 Cb 0.93 2.51 -0.02 0.00 -0.74 0.00 0.00 36.82 39.50 2qmb h ILE 111 CO 0.06 0.39 -0.50 0.45 0.00 0.00 0.00 178.15 178.55 2qmb h HIS 112 N -0.70 0.00 -0.48 1.37 3.86 -1.53 -3.40 115.15 114.27 2qmb h HIS 112 Ca -0.00 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 58.95 2qmb h HIS 112 Cb 0.66 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.73 2qmb h HIS 112 CO 0.16 0.50 -1.12 0.72 0.86 0.00 0.00 177.93 179.05 2qmb n HIS 113 N -3.89 1.27 -0.31 2.45 8.25 -0.09 -4.96 115.22 117.94 2qmb n HIS 113 Ca -0.01 -2.20 0.07 0.00 -0.26 0.00 0.00 57.72 55.32 2qmb n HIS 113 Cb 0.52 -0.24 0.23 0.00 1.12 0.00 0.00 29.99 31.62 2qmb n HIS 113 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2qmb h PRO 114 N 2.64 0.67 0.00 -0.41 0.13 -1.66 0.84 132.00 134.22 2qmb h PRO 114 Ca -0.13 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2qmb h PRO 114 Cb 1.26 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2qmb h PRO 114 CO 0.21 0.44 0.12 0.00 -0.23 0.00 0.00 178.00 178.55 2qmb n ALA 115 N -2.40 0.81 -0.02 -0.56 0.00 -1.26 -1.73 120.51 115.35 2qmb n ALA 115 Ca 0.17 0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.69 2qmb n ALA 115 Cb 0.42 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.88 2qmb n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qmb n ALA 116 N -1.51 2.12 -0.77 0.00 0.00 0.29 -4.33 120.51 116.31 2qmb n ALA 116 Ca -0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 53.44 52.89 2qmb n ALA 116 Cb 0.14 -0.20 -0.11 0.00 0.00 0.00 0.00 19.45 19.28 2qmb n ALA 116 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qmb n LEU 117 N -2.09 4.24 -4.41 0.00 0.00 -0.70 -4.73 117.00 109.31 2qmb n LEU 117 Ca -0.08 -2.62 -0.39 0.00 0.00 0.00 0.00 56.01 52.92 2qmb n LEU 117 Cb 0.52 -1.08 0.03 0.00 0.00 0.00 0.00 43.42 42.88 2qmb n LEU 117 CO 0.22 1.14 -0.13 0.35 0.00 0.00 0.00 177.39 178.98 2qmb n THR 118 N 2.81 1.58 -0.19 1.96 -2.24 -1.26 -4.57 114.28 112.38 2qmb n THR 118 Ca 0.35 -0.50 0.15 0.00 -2.27 0.00 0.00 64.05 61.79 2qmb n THR 118 Cb 0.61 -0.48 0.49 0.00 -2.10 0.00 0.00 70.33 68.85 2qmb n THR 118 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 2qmb h PRO 119 N 0.26 0.44 -0.23 -0.78 0.11 -1.96 0.51 132.00 130.35 2qmb h PRO 119 Ca -0.44 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2qmb h PRO 119 Cb 1.41 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 2qmb h PRO 119 CO 0.46 0.29 -0.26 0.93 -0.21 0.00 0.00 178.00 179.21 2qmb h GLU 120 N 0.45 0.58 -0.98 1.05 5.08 -1.96 -2.48 114.58 116.34 2qmb h GLU 120 Ca 0.39 -0.32 0.11 0.00 -1.00 0.00 0.00 59.36 58.54 2qmb h GLU 120 Cb 0.86 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.05 2qmb h GLU 120 CO -0.14 0.92 0.62 0.28 -1.00 0.00 0.00 179.01 179.69 2qmb h VAL 121 N 0.28 0.93 -0.62 3.13 2.07 -1.04 -2.80 116.25 118.19 2qmb h VAL 121 Ca 0.03 -0.33 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2qmb h VAL 121 Cb 0.83 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 2qmb h VAL 121 CO 0.06 0.18 0.28 -0.74 0.02 0.00 0.00 177.57 177.37 2qmb h HIS 122 N 0.96 0.89 -0.21 1.57 -0.00 0.07 0.16 115.15 118.60 2qmb h HIS 122 Ca 0.47 -0.04 -0.14 0.00 -0.00 0.00 0.00 60.37 60.66 2qmb h HIS 122 Cb 0.48 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.61 2qmb h HIS 122 CO -0.00 0.67 -0.43 0.00 -0.00 0.00 0.00 177.93 178.17 2qmb h ALA 123 N 1.42 0.33 -0.67 5.26 0.00 -1.29 -1.14 119.26 123.17 2qmb h ALA 123 Ca 0.22 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 2qmb h ALA 123 Cb 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2qmb h ALA 123 CO -0.02 0.46 0.28 0.77 0.00 0.00 0.00 179.25 180.74 2qmb h SER 124 N 0.36 0.89 0.11 0.00 0.02 -1.05 -0.90 113.55 112.98 2qmb h SER 124 Ca 0.01 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 2qmb h SER 124 Cb 1.03 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2qmb h SER 124 CO 0.10 0.79 -0.22 0.25 -1.14 0.00 0.00 176.83 176.60 2qmb h LEU 125 N 0.97 0.20 0.10 5.07 6.46 -0.27 -1.93 115.31 125.90 2qmb h LEU 125 Ca 0.23 -0.05 -0.23 0.00 -0.12 0.00 0.00 57.88 57.71 2qmb h LEU 125 Cb 0.16 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 2qmb h LEU 125 CO -0.02 0.44 -1.13 -0.78 -0.62 0.00 0.00 178.44 176.33 2qmb h ASP 126 N 0.19 0.33 -1.08 1.25 1.82 -0.32 -2.33 116.42 116.28 2qmb h ASP 126 Ca 0.03 -0.86 0.33 0.00 -0.39 0.00 0.00 57.03 56.15 2qmb h ASP 126 Cb 0.51 -0.11 -0.13 0.00 0.68 0.00 0.00 39.33 40.28 2qmb h ASP 126 CO 0.03 1.50 0.66 0.11 -1.61 0.00 0.00 179.24 179.93 2qmb h LYS 127 N -0.45 0.29 0.06 0.28 1.57 -0.94 -0.99 116.57 116.39 2qmb h LYS 127 Ca -0.24 -0.02 -0.25 0.00 -1.87 0.00 0.00 60.65 58.27 2qmb h LYS 127 Cb 1.62 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.87 2qmb h LYS 127 CO 0.05 0.19 -1.07 0.35 -0.57 0.00 0.00 179.45 178.41 2qmb h PHE 128 N 0.30 0.60 0.00 -1.35 3.57 -1.14 -1.84 116.94 117.07 2qmb h PHE 128 Ca 0.72 -0.37 -0.07 0.00 3.53 0.00 0.00 57.97 61.79 2qmb h PHE 128 Cb 1.82 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.50 2qmb h PHE 128 CO -0.01 1.22 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.90 2qmb h LEU 129 N 0.18 0.00 0.03 0.59 3.38 -0.72 -1.24 115.31 117.53 2qmb h LEU 129 Ca -0.11 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 2qmb h LEU 129 Cb 1.74 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.50 2qmb h LEU 129 CO 0.18 0.32 -0.70 0.00 0.09 0.00 0.00 178.44 178.33 2qmb h ALA 131 N 0.29 0.14 -0.54 0.00 0.00 -0.77 0.70 119.26 119.08 2qmb h ALA 131 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.88 2qmb h ALA 131 Cb 1.43 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 2qmb h ALA 131 CO 0.14 -0.39 0.24 0.28 0.00 0.00 0.00 179.25 179.51 2qmb h VAL 132 N 0.12 0.89 -0.90 0.00 2.07 -1.31 -0.84 116.25 116.28 2qmb h VAL 132 Ca 0.05 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2qmb h VAL 132 Cb 0.01 0.39 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 2qmb h VAL 132 CO -0.04 0.08 0.49 1.23 0.02 0.00 0.00 177.57 179.36 2qmb h GLY 133 N 0.46 1.35 0.68 2.17 0.00 0.15 -1.87 103.07 106.02 2qmb h GLY 133 Ca 0.25 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 2qmb h GLY 133 CO -0.21 0.59 -0.11 -0.84 0.00 0.00 0.00 176.54 175.97 2qmb h THR 134 N 1.27 0.83 -0.76 4.70 2.02 0.16 -1.98 112.91 119.15 2qmb h THR 134 Ca 0.32 -0.61 0.17 0.00 0.77 0.00 0.00 66.41 67.06 2qmb h THR 134 Cb 0.03 1.16 -0.11 0.00 -1.74 0.00 0.00 68.15 67.49 2qmb h THR 134 CO -0.05 0.13 0.21 0.58 0.37 0.00 0.00 175.52 176.76 2qmb h VAL 135 N -0.64 0.51 0.00 3.16 2.07 -1.16 -0.32 116.25 119.86 2qmb h VAL 135 Ca -0.03 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 2qmb h VAL 135 Cb 0.46 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2qmb h VAL 135 CO 0.05 0.05 -0.27 -0.07 0.02 0.00 0.00 177.57 177.36 2qmb h LEU 136 N 0.29 0.00 -0.10 2.57 4.07 -1.23 -2.69 115.31 118.22 2qmb h LEU 136 Ca 0.44 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.40 2qmb h LEU 136 Cb 0.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2qmb h LEU 136 CO -0.51 0.27 -0.26 0.35 -1.08 0.00 0.00 178.44 177.20 2qmb n THR 137 N -3.83 0.00 0.00 0.22 -2.24 -0.75 -3.87 114.28 103.81 2qmb n THR 137 Ca -0.02 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2qmb n THR 137 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2qmb n THR 137 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qmb n ALA 138 N -1.29 0.00 -0.21 6.98 0.00 -0.17 -2.40 120.51 123.42 2qmb n ALA 138 Ca 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.52 2qmb n ALA 138 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.76 2qmb n ALA 138 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qmb n LYS 139 N 0.00 0.42 -0.04 0.00 5.02 -1.26 0.15 118.16 122.45 2qmb n LYS 139 Ca 0.00 -0.08 -0.10 0.00 -2.02 0.00 0.00 58.31 56.11 2qmb n LYS 139 Cb 0.00 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 2qmb n LYS 139 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2qmb n TYR 140 N 2.09 0.00 -0.09 2.13 0.53 -1.01 -4.84 117.16 115.96 2qmb n TYR 140 Ca 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.92 2qmb n TYR 140 Cb 0.20 -0.35 0.00 0.00 -1.03 0.00 0.00 39.34 38.16 2qmb n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38