#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbh n MET 2 N 0.00 0.27 0.02 4.33 0.00 -1.26 -4.57 117.12 115.92 2qbh n MET 2 Ca 0.00 -1.19 0.11 0.00 -0.00 0.00 0.00 57.70 56.62 2qbh n MET 2 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 33.22 29.69 2qbh n MET 2 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 2qbh n GLN 3 N 8.10 0.25 -3.50 2.12 6.02 -1.26 -4.69 117.38 124.42 2qbh n GLN 3 Ca 0.42 -0.01 -0.28 0.00 -0.01 0.00 0.00 57.00 57.13 2qbh n GLN 3 Cb 0.44 -1.58 -0.14 0.00 1.02 0.00 0.00 30.24 29.98 2qbh n GLN 3 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2qbh s ASP 4 N -3.80 3.20 0.15 1.08 3.68 -1.26 -4.94 116.67 114.77 2qbh s ASP 4 Ca 0.04 -1.50 -0.12 0.00 2.13 0.00 0.00 52.55 53.11 2qbh s ASP 4 Cb 0.15 -0.28 -0.00 0.00 -1.45 0.00 0.00 42.92 41.34 2qbh s ASP 4 CO 0.80 -0.40 1.56 1.55 0.13 0.00 0.00 175.17 178.81 2qbh h PRO 5 N 8.00 0.90 -0.37 4.34 0.13 -1.98 -3.23 132.00 139.79 2qbh h PRO 5 Ca -0.12 -0.35 0.07 0.00 -0.87 0.00 0.00 66.00 64.73 2qbh h PRO 5 Cb 1.00 -0.05 -0.06 0.00 0.13 0.00 0.00 31.00 32.02 2qbh h PRO 5 CO 0.38 0.99 -0.01 0.82 -0.23 0.00 0.00 178.00 179.95 2qbh h ILE 6 N 0.74 0.71 -0.67 -3.56 1.08 -2.00 -2.09 117.51 111.71 2qbh h ILE 6 Ca 0.12 -0.03 0.14 0.00 -0.39 0.00 0.00 64.86 64.70 2qbh h ILE 6 Cb 0.67 0.62 -0.10 0.00 -3.07 0.00 0.00 36.82 34.93 2qbh h ILE 6 CO 0.05 0.02 0.11 0.00 -0.69 0.00 0.00 178.15 177.63 2qbh h ALA 7 N 1.33 0.80 -0.48 1.87 0.00 -1.97 -0.49 119.26 120.32 2qbh h ALA 7 Ca 0.18 0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.34 2qbh h ALA 7 Cb 0.25 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2qbh h ALA 7 CO -0.31 -0.35 0.06 0.22 0.00 0.00 0.00 179.25 178.87 2qbh h ASP 8 N 0.22 -0.07 0.48 0.00 1.82 -1.45 0.25 116.42 117.67 2qbh h ASP 8 Ca 0.37 0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 57.09 2qbh h ASP 8 Cb 0.61 0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.75 2qbh h ASP 8 CO -0.50 -0.01 -0.39 -0.03 -1.61 0.00 0.00 179.24 176.71 2qbh h MET 9 N 0.19 -0.83 0.01 0.28 4.05 -0.95 0.59 114.93 118.27 2qbh h MET 9 Ca 0.24 0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.75 2qbh h MET 9 Cb 0.33 0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 31.28 2qbh h MET 9 CO -0.34 -0.55 -0.24 -0.07 0.23 0.00 0.00 176.91 175.94 2qbh h LEU 10 N -0.86 -0.69 -0.04 3.39 3.38 -0.94 -1.01 115.31 118.53 2qbh h LEU 10 Ca -0.05 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2qbh h LEU 10 Cb 0.74 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 2qbh h LEU 10 CO -0.01 -0.31 -0.01 0.71 0.09 0.00 0.00 178.44 178.91 2qbh h THR 11 N -0.38 0.95 -0.68 0.22 1.35 -0.40 -2.60 112.91 111.37 2qbh h THR 11 Ca 0.06 0.00 0.12 0.00 -0.55 0.00 0.00 66.41 66.04 2qbh h THR 11 Cb 0.45 0.95 -0.09 0.00 -1.73 0.00 0.00 68.15 67.73 2qbh h THR 11 CO -0.21 0.00 0.23 -0.09 -0.25 0.00 0.00 175.52 175.21 2qbh h ARG 12 N -0.00 0.37 0.41 4.72 2.43 0.48 0.06 114.38 122.84 2qbh h ARG 12 Ca 0.02 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2qbh h ARG 12 Cb 0.04 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 2qbh h ARG 12 CO -0.05 0.25 -0.28 0.82 -1.51 0.00 0.00 179.97 179.20 2qbh h ILE 13 N 0.38 0.42 -0.54 1.20 2.04 -0.89 -0.77 117.51 119.36 2qbh h ILE 13 Ca 0.37 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.23 2qbh h ILE 13 Cb 0.53 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.01 2qbh h ILE 13 CO -0.39 0.00 0.35 0.08 0.00 0.00 0.00 178.15 178.19 2qbh h ARG 14 N -0.67 0.71 -0.72 2.37 0.11 -1.08 -1.00 114.38 114.09 2qbh h ARG 14 Ca -0.04 -0.05 0.06 0.00 0.10 0.00 0.00 59.98 60.05 2qbh h ARG 14 Cb 0.56 -0.16 -0.04 0.00 1.11 0.00 0.00 29.97 31.44 2qbh h ARG 14 CO 0.03 0.49 0.48 -0.91 0.10 0.00 0.00 179.97 180.15 2qbh h ASN 15 N 0.73 0.67 0.14 0.08 2.35 -0.86 -1.89 115.58 116.79 2qbh h ASN 15 Ca 0.20 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 2qbh h ASN 15 Cb -0.07 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.16 2qbh h ASN 15 CO -0.04 0.44 -0.07 1.23 -1.65 0.00 0.00 177.43 177.34 2qbh h GLY 16 N 0.77 -0.19 -0.01 2.83 0.00 -0.30 -2.94 103.07 103.22 2qbh h GLY 16 Ca 0.31 0.07 0.27 0.00 0.00 0.00 0.00 47.33 47.98 2qbh h GLY 16 CO -0.10 -0.07 0.69 1.46 0.00 0.00 0.00 176.54 178.52 2qbh h GLN 17 N -0.59 0.19 -0.21 4.80 1.08 -0.73 0.94 115.11 120.58 2qbh h GLN 17 Ca -0.02 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.12 2qbh h GLN 17 Cb 0.46 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 2qbh h GLN 17 CO 0.03 0.13 -0.06 0.00 -0.95 0.00 0.00 178.83 177.98 2qbh h ALA 18 N 1.55 0.29 -0.09 3.87 0.00 -1.22 -2.86 119.26 120.80 2qbh h ALA 18 Ca 0.52 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2qbh h ALA 18 Cb 1.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.39 2qbh h ALA 18 CO -0.13 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.21 2qbh n ALA 19 N -2.37 2.55 -2.80 0.00 0.00 0.11 -4.90 120.51 113.10 2qbh n ALA 19 Ca -0.04 -0.32 -0.21 0.00 0.00 0.00 0.00 53.44 52.86 2qbh n ALA 19 Cb 0.29 -1.17 0.01 0.00 0.00 0.00 0.00 19.45 18.58 2qbh n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbh n ASN 20 N -0.19 -5.70 -4.73 0.00 3.02 0.03 -4.92 115.26 102.76 2qbh n ASN 20 Ca 0.14 -0.17 -0.42 0.00 -0.03 0.00 0.00 54.58 54.11 2qbh n ASN 20 Cb 0.20 -4.67 -0.03 0.00 -0.61 0.00 0.00 39.78 34.67 2qbh n ASN 20 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2qbh s LYS 21 N -5.46 4.24 0.09 3.52 -0.14 -0.87 -4.92 119.74 116.20 2qbh s LYS 21 Ca 0.19 2.32 -0.18 0.00 -1.36 0.00 0.00 55.97 56.94 2qbh s LYS 21 Cb -0.09 -3.14 -0.04 0.00 -1.68 0.00 0.00 37.83 32.88 2qbh s LYS 21 CO 0.23 -0.52 1.31 0.00 -0.76 0.00 0.00 175.35 175.62 2qbh h ALA 22 N 6.02 -0.34 -3.00 5.17 0.00 -1.91 -3.44 119.26 121.76 2qbh h ALA 22 Ca -0.44 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2qbh h ALA 22 Cb 1.21 1.19 0.00 0.00 0.00 0.00 0.00 17.79 20.19 2qbh h ALA 22 CO 0.85 -0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.53 2qbh n ALA 23 N -3.12 0.00 -3.61 0.00 0.00 -1.26 -2.91 120.51 109.61 2qbh n ALA 23 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 2qbh n ALA 23 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.56 2qbh n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qbh s VAL 24 N 1.53 0.00 0.34 0.00 0.11 -1.14 -4.72 120.40 116.53 2qbh s VAL 24 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 2qbh s VAL 24 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2qbh s VAL 24 CO 0.00 0.00 0.09 0.42 -3.33 0.00 0.00 175.10 172.28 2qbh s THR 25 N -1.14 0.84 0.00 5.04 -4.23 -1.26 -0.78 115.64 114.12 2qbh s THR 25 Ca 0.03 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 2qbh s THR 25 Cb -0.01 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.23 2qbh s THR 25 CO -0.03 0.00 0.00 1.15 -0.54 0.00 0.00 174.62 175.20 2qbh n MET 26 N -0.72 0.00 -1.86 3.99 0.00 -1.26 -4.91 117.12 112.36 2qbh n MET 26 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.27 2qbh n MET 26 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.85 2qbh n MET 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2qbh s PRO 27 N -2.00 2.86 1.05 3.17 0.04 -1.26 -2.13 135.00 136.74 2qbh s PRO 27 Ca 0.00 1.30 -0.13 0.00 0.04 0.00 0.00 61.00 62.22 2qbh s PRO 27 Cb 0.00 -4.35 0.22 0.00 0.04 0.00 0.00 34.50 30.40 2qbh s PRO 27 CO 0.00 -2.42 1.08 -1.54 0.04 0.00 0.00 177.00 174.16 2qbh s SER 28 N 8.21 2.11 -0.20 6.66 1.04 -1.00 -4.98 113.70 125.54 2qbh s SER 28 Ca 0.83 1.24 -0.30 0.00 0.48 0.00 0.00 55.95 58.20 2qbh s SER 28 Cb -0.20 -1.94 0.15 0.00 0.10 0.00 0.00 66.02 64.13 2qbh s SER 28 CO 0.29 -3.46 1.14 -0.94 0.98 0.00 0.00 173.24 171.25 2qbh s SER 29 N -3.23 -0.23 0.00 7.02 1.04 -1.26 -4.85 113.70 112.19 2qbh s SER 29 Ca 0.66 0.22 0.00 0.00 0.48 0.00 0.00 55.95 57.31 2qbh s SER 29 Cb -0.20 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2qbh s SER 29 CO 0.59 -0.24 0.37 1.17 0.98 0.00 0.00 173.24 176.12 2qbh n LYS 30 N 0.53 0.00 -0.19 4.02 4.81 -1.26 -0.30 118.16 125.77 2qbh n LYS 30 Ca -0.05 0.37 -0.01 0.00 -0.87 0.00 0.00 58.31 57.75 2qbh n LYS 30 Cb 0.58 -0.59 0.09 0.00 0.02 0.00 0.00 35.03 35.14 2qbh n LYS 30 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2qbh h LEU 31 N 0.00 0.13 -0.48 3.14 5.85 -2.00 -1.99 115.31 119.97 2qbh h LEU 31 Ca 0.00 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.90 2qbh h LEU 31 Cb 0.00 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 2qbh h LEU 31 CO 0.00 0.09 -0.01 0.11 -0.34 0.00 0.00 178.44 178.29 2qbh h LYS 32 N 0.34 0.11 0.81 1.25 1.57 -1.05 -1.63 116.57 117.96 2qbh h LYS 32 Ca 0.29 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 2qbh h LYS 32 Cb 0.37 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2qbh h LYS 32 CO -0.32 0.07 -0.47 0.28 -0.57 0.00 0.00 179.45 178.44 2qbh h VAL 33 N 0.11 0.05 -0.81 0.50 2.07 -0.38 -1.33 116.25 116.45 2qbh h VAL 33 Ca 0.24 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.90 2qbh h VAL 33 Cb 0.36 0.05 -0.14 0.00 -1.52 0.00 0.00 31.29 30.03 2qbh h VAL 33 CO -0.40 0.00 -0.32 0.00 0.02 0.00 0.00 177.57 176.87 2qbh h ALA 34 N -1.10 0.21 -0.72 1.67 0.00 -1.07 0.50 119.26 118.75 2qbh h ALA 34 Ca -0.11 0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2qbh h ALA 34 Cb 0.95 0.82 -0.05 0.00 0.00 0.00 0.00 17.79 19.51 2qbh h ALA 34 CO 0.12 -0.57 0.44 0.82 0.00 0.00 0.00 179.25 180.06 2qbh h ILE 35 N -0.06 1.05 -0.71 0.00 2.04 -1.18 -1.44 117.51 117.22 2qbh h ILE 35 Ca 0.33 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 2qbh h ILE 35 Cb 0.59 0.14 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2qbh h ILE 35 CO -0.85 0.15 0.40 0.00 0.00 0.00 0.00 178.15 177.86 2qbh h ALA 36 N 1.33 1.37 0.27 1.87 0.00 0.10 -2.39 119.26 121.82 2qbh h ALA 36 Ca 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2qbh h ALA 36 Cb 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2qbh h ALA 36 CO -0.14 0.52 -0.13 -0.97 0.00 0.00 0.00 179.25 178.53 2qbh h ASN 37 N 0.98 -0.31 -0.63 0.00 -0.00 0.40 -2.23 115.58 113.79 2qbh h ASN 37 Ca 0.25 -0.04 0.13 0.00 -0.00 0.00 0.00 56.30 56.64 2qbh h ASN 37 Cb 0.00 0.08 -0.10 0.00 -0.00 0.00 0.00 38.32 38.30 2qbh h ASN 37 CO -0.04 -0.16 0.08 0.58 -0.00 0.00 0.00 177.43 177.89 2qbh h VAL 38 N -0.44 0.56 -0.57 2.57 2.07 -1.10 0.46 116.25 119.79 2qbh h VAL 38 Ca -0.04 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.49 2qbh h VAL 38 Cb 0.33 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 2qbh h VAL 38 CO 0.06 0.04 0.38 -0.07 0.02 0.00 0.00 177.57 178.00 2qbh h LEU 39 N 0.20 0.41 0.06 2.57 3.38 -1.18 0.25 115.31 120.99 2qbh h LEU 39 Ca 0.33 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 2qbh h LEU 39 Cb 0.53 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.21 2qbh h LEU 39 CO -0.47 0.26 -0.47 0.50 0.09 0.00 0.00 178.44 178.35 2qbh h LYS 40 N 0.47 0.22 0.00 1.13 3.64 0.10 0.39 116.57 122.52 2qbh h LYS 40 Ca 0.25 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2qbh h LYS 40 Cb 0.39 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2qbh h LYS 40 CO -0.07 1.10 -0.14 0.93 -2.27 0.00 0.00 179.45 179.00 2qbh h GLU 41 N -0.51 0.00 -0.01 1.90 4.39 0.23 -2.01 114.58 118.56 2qbh h GLU 41 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2qbh h GLU 41 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2qbh h GLU 41 CO 0.09 0.14 -0.19 0.39 -1.16 0.00 0.00 179.01 178.28 2qbh n GLU 42 N -4.12 1.31 -1.79 2.33 -0.58 0.83 -4.98 120.64 113.64 2qbh n GLU 42 Ca -0.02 -0.87 -0.01 0.00 -0.42 0.00 0.00 57.16 55.84 2qbh n GLU 42 Cb 0.22 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 2qbh n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qbh n GLY 43 N 1.31 0.64 0.00 0.62 0.00 -0.76 -4.99 105.19 102.01 2qbh n GLY 43 Ca 0.14 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2qbh n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qbh n PHE 44 N -1.37 0.00 -3.74 1.61 3.72 0.14 -4.99 117.46 112.82 2qbh n PHE 44 Ca -0.01 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2qbh n PHE 44 Cb 0.51 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 38.94 2qbh n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2qbh s ILE 45 N -0.74 -0.01 0.15 4.37 -4.36 -1.17 -4.07 121.20 115.37 2qbh s ILE 45 Ca 0.00 0.02 -0.27 0.00 -0.26 0.00 0.00 60.65 60.14 2qbh s ILE 45 Cb 0.00 -0.51 -0.01 0.00 1.25 0.00 0.00 42.46 43.20 2qbh s ILE 45 CO 0.00 0.01 1.58 -0.33 0.24 0.00 0.00 174.94 176.44 2qbh h GLU 46 N 5.86 -0.34 0.00 0.37 4.39 -1.70 -3.41 114.58 119.75 2qbh h GLU 46 Ca -0.29 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.54 2qbh h GLU 46 Cb 1.18 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 2qbh h GLU 46 CO 0.29 -0.23 0.27 -3.47 -1.16 0.00 0.00 179.01 174.71 2qbh n ASP 47 N -5.42 -0.40 -3.51 1.42 2.03 -1.25 -5.02 116.55 104.40 2qbh n ASP 47 Ca -0.01 -1.11 -0.12 0.00 0.52 0.00 0.00 54.79 54.07 2qbh n ASP 47 Cb 0.35 0.62 -0.03 0.00 -0.72 0.00 0.00 41.12 41.34 2qbh n ASP 47 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2qbh s PHE 48 N -3.02 -0.42 -0.21 -0.67 -0.71 -1.25 -1.80 117.98 109.90 2qbh s PHE 48 Ca 0.09 0.24 -0.06 0.00 -1.04 0.00 0.00 56.93 56.16 2qbh s PHE 48 Cb -0.00 0.43 0.10 0.00 -1.21 0.00 0.00 43.02 42.34 2qbh s PHE 48 CO 0.00 -0.77 0.43 0.21 -1.34 0.00 0.00 175.22 173.75 2qbh s LYS 49 N -3.48 0.34 -0.74 1.99 2.47 -0.46 -4.94 119.74 114.91 2qbh s LYS 49 Ca 0.00 1.00 -0.26 0.00 -1.56 0.00 0.00 55.97 55.15 2qbh s LYS 49 Cb -0.00 0.27 0.01 0.00 -1.46 0.00 0.00 37.83 36.65 2qbh s LYS 49 CO -0.10 -0.30 1.53 0.54 0.16 0.00 0.00 175.35 177.18 2qbh s VAL 50 N 2.62 3.61 0.08 4.02 0.11 -1.26 -0.18 120.40 129.40 2qbh s VAL 50 Ca 0.00 0.16 -0.01 0.00 -2.93 0.00 0.00 61.98 59.20 2qbh s VAL 50 Cb -0.12 -4.56 0.02 0.00 -1.53 0.00 0.00 36.38 30.18 2qbh s VAL 50 CO -0.13 -1.51 0.12 1.21 -3.33 0.00 0.00 175.10 171.45 2qbh n GLU 51 N 9.23 0.07 -0.62 1.54 2.13 -1.23 -4.78 120.64 126.99 2qbh n GLU 51 Ca 0.14 -0.21 0.00 0.00 0.66 0.00 0.00 57.16 57.76 2qbh n GLU 51 Cb 0.50 -0.11 -0.00 0.00 0.27 0.00 0.00 31.44 32.10 2qbh n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qbh n GLY 52 N 4.22 -3.29 0.00 8.31 0.00 -1.26 -1.21 105.19 111.96 2qbh n GLY 52 Ca 0.02 -1.13 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2qbh n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2qbh n ASP 53 N -1.98 0.00 -0.02 1.61 4.64 -1.26 -4.66 116.55 114.88 2qbh n ASP 53 Ca -0.00 0.00 -0.16 0.00 -1.38 0.00 0.00 54.79 53.25 2qbh n ASP 53 Cb 0.20 -0.36 -0.12 0.00 -1.04 0.00 0.00 41.12 39.79 2qbh n ASP 53 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2qbh h THR 54 N 0.00 1.57 -3.13 5.18 1.03 -2.04 -3.40 112.91 112.12 2qbh h THR 54 Ca 0.00 -2.15 -0.74 0.00 -0.01 0.00 0.00 66.41 63.52 2qbh h THR 54 Cb 0.00 2.95 -0.22 0.00 -1.07 0.00 0.00 68.15 69.80 2qbh h THR 54 CO 0.00 0.59 -0.16 -0.54 -0.01 0.00 0.00 175.52 175.40 2qbh s LYS 55 N -2.84 3.01 0.22 0.00 -0.14 -1.26 -5.05 119.74 113.68 2qbh s LYS 55 Ca -0.16 -1.46 -0.30 0.00 -1.36 0.00 0.00 55.97 52.69 2qbh s LYS 55 Cb 0.00 -4.23 -0.09 0.00 -1.68 0.00 0.00 37.83 31.83 2qbh s LYS 55 CO 0.76 -1.28 1.34 -1.25 -0.76 0.00 0.00 175.35 174.16 2qbh s PRO 56 N 1.92 4.36 0.29 -1.68 0.04 -1.26 -4.36 135.00 134.31 2qbh s PRO 56 Ca 0.06 2.12 0.03 0.00 0.04 0.00 0.00 61.00 63.25 2qbh s PRO 56 Cb -0.26 -3.16 0.03 0.00 0.04 0.00 0.00 34.50 31.14 2qbh s PRO 56 CO 0.05 -0.28 0.21 0.39 0.04 0.00 0.00 177.00 177.42 2qbh n GLU 57 N 2.40 1.07 -3.13 4.56 4.71 -0.35 -2.38 120.64 127.52 2qbh n GLU 57 Ca 0.06 -1.81 -0.08 0.00 -0.01 0.00 0.00 57.16 55.32 2qbh n GLU 57 Cb 0.42 0.20 -0.03 0.00 -1.01 0.00 0.00 31.44 31.02 2qbh n GLU 57 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 2qbh s LEU 58 N 0.00 -0.86 -0.93 -4.62 0.20 -0.90 -3.48 118.68 108.09 2qbh s LEU 58 Ca 0.16 -1.49 -0.25 0.00 0.69 0.00 0.00 54.13 53.24 2qbh s LEU 58 Cb -0.01 1.36 -0.18 0.00 -0.43 0.00 0.00 46.19 46.93 2qbh s LEU 58 CO 0.10 -0.16 1.93 -0.62 -0.29 0.00 0.00 176.35 177.32 2qbh n GLU 59 N 3.77 0.98 -2.95 1.98 1.02 0.75 -4.00 120.64 122.20 2qbh n GLU 59 Ca 0.15 -1.96 -0.44 0.00 -0.02 0.00 0.00 57.16 54.89 2qbh n GLU 59 Cb 0.53 -3.47 -0.01 0.00 -0.02 0.00 0.00 31.44 28.47 2qbh n GLU 59 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2qbh s LEU 60 N 9.41 5.06 0.04 -4.62 0.20 0.04 -1.35 118.68 127.45 2qbh s LEU 60 Ca 0.70 -2.81 -0.30 0.00 0.69 0.00 0.00 54.13 52.41 2qbh s LEU 60 Cb 0.03 -2.40 -0.08 0.00 -0.43 0.00 0.00 46.19 43.31 2qbh s LEU 60 CO 0.18 -0.81 1.83 0.42 -0.29 0.00 0.00 176.35 177.68 2qbh s THR 61 N 1.78 3.07 0.66 3.68 -4.23 -0.75 -2.87 115.64 116.98 2qbh s THR 61 Ca 0.41 0.24 -0.14 0.00 -1.18 0.00 0.00 61.69 61.02 2qbh s THR 61 Cb -0.03 -3.16 -0.00 0.00 1.34 0.00 0.00 72.50 70.65 2qbh s THR 61 CO -0.02 -0.02 1.08 -0.76 -0.54 0.00 0.00 174.62 174.37 2qbh s LEU 62 N 3.83 3.33 -0.02 4.79 1.02 -1.15 -2.76 118.68 127.71 2qbh s LEU 62 Ca 0.82 1.85 0.07 0.00 0.02 0.00 0.00 54.13 56.89 2qbh s LEU 62 Cb -0.41 -4.53 -0.02 0.00 0.02 0.00 0.00 46.19 41.25 2qbh s LEU 62 CO 0.37 -1.51 -0.24 -0.75 0.02 0.00 0.00 176.35 174.24 2qbh s LYS 63 N -4.36 1.97 -0.11 1.70 2.20 -1.26 -4.27 119.74 115.61 2qbh s LYS 63 Ca 0.63 -0.84 -0.00 0.00 -0.36 0.00 0.00 55.97 55.40 2qbh s LYS 63 Cb -0.17 -1.87 0.02 0.00 -1.51 0.00 0.00 37.83 34.30 2qbh s LYS 63 CO 0.44 0.49 -0.09 0.71 -0.36 0.00 0.00 175.35 176.55 2qbh s TYR 64 N -0.50 1.55 0.00 4.03 1.51 -1.26 -1.99 117.35 120.69 2qbh s TYR 64 Ca 0.08 -0.78 0.00 0.00 -1.01 0.00 0.00 57.07 55.36 2qbh s TYR 64 Cb -0.10 -1.26 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 2qbh s TYR 64 CO -0.00 -0.51 0.00 0.34 -1.11 0.00 0.00 175.55 174.26 2qbh n PHE 65 N 4.84 0.00 0.00 2.71 7.35 -1.15 -4.86 117.46 126.35 2qbh n PHE 65 Ca -0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 2qbh n PHE 65 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 2qbh n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2qbh n GLN 66 N 0.00 0.00 -0.99 -4.13 6.02 -1.26 -4.78 117.38 112.24 2qbh n GLN 66 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 2qbh n GLN 66 Cb 0.00 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 2qbh n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qbh n GLY 67 N 5.00 3.40 3.84 1.08 0.00 -1.26 -4.81 105.19 112.44 2qbh n GLY 67 Ca 0.00 -1.09 -0.06 0.00 0.00 0.00 0.00 46.02 44.87 2qbh n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qbh s LYS 68 N -0.35 1.84 -0.16 1.61 2.47 -1.26 -5.16 119.74 118.73 2qbh s LYS 68 Ca 0.44 -1.19 -0.08 0.00 -1.56 0.00 0.00 55.97 53.59 2qbh s LYS 68 Cb 0.25 0.52 -0.04 0.00 -1.46 0.00 0.00 37.83 37.09 2qbh s LYS 68 CO -0.05 -0.86 0.09 0.00 0.16 0.00 0.00 175.35 174.69 2qbh s ALA 69 N -2.23 3.59 0.30 3.13 0.00 -1.26 -2.95 121.76 122.33 2qbh s ALA 69 Ca 0.18 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.49 2qbh s ALA 69 Cb -0.04 -1.96 0.75 0.00 0.00 0.00 0.00 23.12 21.86 2qbh s ALA 69 CO 0.09 0.31 1.75 0.28 0.00 0.00 0.00 175.76 178.19 2qbh h VAL 70 N 4.54 0.64 -1.43 0.00 2.07 -1.72 -3.28 116.25 117.06 2qbh h VAL 70 Ca -0.44 -0.22 -0.64 0.00 0.82 0.00 0.00 66.70 66.22 2qbh h VAL 70 Cb 1.18 -0.07 -0.12 0.00 -1.52 0.00 0.00 31.29 30.76 2qbh h VAL 70 CO 0.68 0.12 1.47 -0.69 0.02 0.00 0.00 177.57 179.17 2qbh s VAL 71 N -5.86 4.22 0.10 2.57 1.01 -1.26 -4.79 120.40 116.39 2qbh s VAL 71 Ca -0.11 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.46 2qbh s VAL 71 Cb 0.25 -5.01 -0.17 0.00 0.00 0.00 0.00 36.38 31.45 2qbh s VAL 71 CO 0.79 -1.84 1.29 1.05 0.00 0.00 0.00 175.10 176.39 2qbh h GLU 72 N 9.00 0.75 -2.76 2.72 9.09 -1.81 -3.46 114.58 128.11 2qbh h GLU 72 Ca 0.24 -0.66 -0.13 0.00 0.05 0.00 0.00 59.36 58.87 2qbh h GLU 72 Cb 0.98 0.15 -0.26 0.00 -1.65 0.00 0.00 28.75 27.97 2qbh h GLU 72 CO 1.35 1.26 -0.31 0.45 0.05 0.00 0.00 179.01 181.81 2qbh s SER 73 N -7.15 -0.44 -0.26 3.06 0.15 -1.26 -5.09 113.70 102.71 2qbh s SER 73 Ca -0.10 0.80 -0.02 0.00 0.70 0.00 0.00 55.95 57.33 2qbh s SER 73 Cb 0.08 0.74 0.15 0.00 -1.71 0.00 0.00 66.02 65.28 2qbh s SER 73 CO 0.91 -0.16 0.43 -0.51 1.20 0.00 0.00 173.24 175.10 2qbh s ILE 74 N 0.86 -0.69 0.18 6.45 2.07 -1.26 -2.26 121.20 126.56 2qbh s ILE 74 Ca -0.05 -0.07 0.09 0.00 -1.41 0.00 0.00 60.65 59.20 2qbh s ILE 74 Cb -0.06 -0.87 -0.04 0.00 0.13 0.00 0.00 42.46 41.62 2qbh s ILE 74 CO -0.07 -0.11 -0.18 -1.10 -1.91 0.00 0.00 174.94 171.58 2qbh s GLN 75 N 2.61 1.33 0.77 3.50 1.11 -1.25 -4.73 119.66 123.00 2qbh s GLN 75 Ca 0.14 -1.48 -0.11 0.00 0.01 0.00 0.00 55.36 53.92 2qbh s GLN 75 Cb -0.15 -1.34 0.05 0.00 -1.01 0.00 0.00 33.01 30.56 2qbh s GLN 75 CO -0.18 0.26 1.08 0.50 0.01 0.00 0.00 175.29 176.96 2qbh s ARG 76 N -3.03 2.32 0.00 2.91 6.06 -1.26 -2.11 118.95 123.84 2qbh s ARG 76 Ca 0.19 1.03 0.00 0.00 -2.50 0.00 0.00 55.73 54.45 2qbh s ARG 76 Cb -0.05 -1.91 0.00 0.00 0.06 0.00 0.00 34.95 33.05 2qbh s ARG 76 CO 0.07 -1.56 0.00 0.28 -2.50 0.00 0.00 175.30 171.59 2qbh n VAL 77 N -3.45 0.00 -0.50 7.11 0.31 -0.32 -4.76 118.33 116.72 2qbh n VAL 77 Ca 0.08 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.38 2qbh n VAL 77 Cb 0.54 -0.21 -0.05 0.00 -0.91 0.00 0.00 33.84 33.20 2qbh n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qbh n SER 78 N -1.16 3.68 -4.44 4.52 2.88 -1.24 -4.84 113.62 113.04 2qbh n SER 78 Ca 0.00 -2.07 -0.34 0.00 -1.33 0.00 0.00 58.87 55.13 2qbh n SER 78 Cb 0.00 -0.87 0.10 0.00 -0.75 0.00 0.00 64.21 62.69 2qbh n SER 78 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2qbh n ARG 79 N 2.10 -0.08 -0.87 -1.46 1.85 -1.26 -4.54 116.66 112.40 2qbh n ARG 79 Ca 0.13 0.02 -0.29 0.00 -1.00 0.00 0.00 57.85 56.71 2qbh n ARG 79 Cb 0.48 -1.86 0.23 0.00 -1.05 0.00 0.00 32.46 30.26 2qbh n ARG 79 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2qbh s PRO 80 N -3.36 -0.94 0.00 2.89 0.04 -1.26 -2.86 135.00 129.51 2qbh s PRO 80 Ca 0.60 0.36 0.00 0.00 0.04 0.00 0.00 61.00 62.00 2qbh s PRO 80 Cb -0.26 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2qbh s PRO 80 CO 0.64 -3.61 0.00 0.41 0.04 0.00 0.00 177.00 174.48 2qbh n GLY 81 N -0.20 0.12 2.66 0.56 0.00 -1.26 -4.58 105.19 102.48 2qbh n GLY 81 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.05 2qbh n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qbh n LEU 82 N 0.00 -1.23 -4.75 0.99 -0.00 -1.19 -5.17 117.00 105.65 2qbh n LEU 82 Ca 0.00 -1.72 -0.30 0.00 -0.00 0.00 0.00 56.01 53.99 2qbh n LEU 82 Cb 0.09 0.54 0.11 0.00 -0.00 0.00 0.00 43.42 44.17 2qbh n LEU 82 CO 0.00 1.56 0.69 -0.13 -0.00 0.00 0.00 177.39 179.51 2qbh s ARG 83 N 0.08 1.69 -0.07 1.96 1.81 -1.14 -4.05 118.95 119.24 2qbh s ARG 83 Ca 0.26 0.83 -0.03 0.00 -1.72 0.00 0.00 55.73 55.07 2qbh s ARG 83 Cb 0.20 -1.86 0.04 0.00 -0.45 0.00 0.00 34.95 32.89 2qbh s ARG 83 CO -0.07 -1.94 0.14 0.42 -0.68 0.00 0.00 175.30 173.17 2qbh s ILE 84 N -2.99 -0.16 -0.07 1.52 1.01 -1.26 -4.97 121.20 114.28 2qbh s ILE 84 Ca 0.62 0.28 0.03 0.00 0.00 0.00 0.00 60.65 61.58 2qbh s ILE 84 Cb -0.17 -0.26 0.01 0.00 0.01 0.00 0.00 42.46 42.05 2qbh s ILE 84 CO 0.56 0.12 -0.15 -0.31 0.00 0.00 0.00 174.94 175.16 2qbh s TYR 85 N 1.75 1.69 0.31 3.97 1.51 -1.26 -3.02 117.35 122.30 2qbh s TYR 85 Ca -0.03 -0.63 0.11 0.00 -1.01 0.00 0.00 57.07 55.51 2qbh s TYR 85 Cb -0.12 -1.20 -0.06 0.00 -0.11 0.00 0.00 41.96 40.48 2qbh s TYR 85 CO -0.06 -0.29 -0.12 0.15 -1.11 0.00 0.00 175.55 174.12 2qbh s LYS 86 N 0.54 1.82 0.59 -0.62 -0.14 -1.22 -5.03 119.74 115.68 2qbh s LYS 86 Ca -0.14 -1.81 -0.05 0.00 -1.36 0.00 0.00 55.97 52.61 2qbh s LYS 86 Cb -0.16 -1.79 0.02 0.00 -1.68 0.00 0.00 37.83 34.22 2qbh s LYS 86 CO 0.05 0.24 0.89 1.03 -0.76 0.00 0.00 175.35 176.80 2qbh s ARG 87 N -3.58 2.81 0.56 1.68 0.52 -1.26 -3.74 118.95 115.93 2qbh s ARG 87 Ca 0.32 -0.11 0.26 0.00 -0.52 0.00 0.00 55.73 55.67 2qbh s ARG 87 Cb -0.02 -2.29 1.52 0.00 0.52 0.00 0.00 34.95 34.68 2qbh s ARG 87 CO 0.16 -0.74 2.06 1.57 0.02 0.00 0.00 175.30 178.37 2qbh h LYS 88 N -0.18 0.00 -0.73 3.54 2.10 -1.92 0.72 116.57 120.10 2qbh h LYS 88 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2qbh h LYS 88 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2qbh h LYS 88 CO 0.60 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.65 2qbh n ASP 89 N -4.07 3.90 -0.00 7.07 5.68 -1.26 -4.13 116.55 123.74 2qbh n ASP 89 Ca 0.04 -2.00 0.01 0.00 -0.50 0.00 0.00 54.79 52.34 2qbh n ASP 89 Cb 0.40 -0.49 -0.02 0.00 -1.14 0.00 0.00 41.12 39.88 2qbh n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2qbh n GLU 90 N 1.64 3.47 -1.69 0.11 1.02 0.24 -5.04 120.64 120.39 2qbh n GLU 90 Ca 0.24 -0.01 -0.61 0.00 -0.02 0.00 0.00 57.16 56.76 2qbh n GLU 90 Cb 0.62 -0.81 -0.08 0.00 -0.02 0.00 0.00 31.44 31.14 2qbh n GLU 90 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qbh n LEU 91 N -1.29 1.58 -4.77 -4.62 4.77 -0.37 -4.76 117.00 107.53 2qbh n LEU 91 Ca 0.00 1.13 -0.36 0.00 -0.03 0.00 0.00 56.01 56.75 2qbh n LEU 91 Cb 0.05 -1.02 -0.00 0.00 -2.33 0.00 0.00 43.42 40.11 2qbh n LEU 91 CO 0.05 -0.83 0.80 -2.16 -1.33 0.00 0.00 177.39 173.92 2qbh s PRO 92 N 2.56 3.54 -0.69 3.23 0.04 -1.26 -5.00 135.00 137.42 2qbh s PRO 92 Ca 0.98 1.68 -0.08 0.00 0.04 0.00 0.00 61.00 63.63 2qbh s PRO 92 Cb -1.24 -2.19 0.18 0.00 0.04 0.00 0.00 34.50 31.29 2qbh s PRO 92 CO 0.69 -0.71 0.56 0.15 0.04 0.00 0.00 177.00 177.73 2qbh s LYS 93 N -3.02 2.97 0.25 4.56 1.02 -1.26 -4.75 119.74 119.51 2qbh s LYS 93 Ca 0.69 -2.44 -0.30 0.00 0.02 0.00 0.00 55.97 53.93 2qbh s LYS 93 Cb -0.26 -4.03 -0.14 0.00 -0.52 0.00 0.00 37.83 32.89 2qbh s LYS 93 CO 0.30 -1.22 1.22 0.28 -0.92 0.00 0.00 175.35 175.01 2qbh n VAL 94 N 3.79 1.34 -4.09 3.17 0.31 -1.26 -2.92 118.33 118.67 2qbh n VAL 94 Ca 0.09 -0.34 -0.42 0.00 -0.01 0.00 0.00 64.34 63.66 2qbh n VAL 94 Cb 0.42 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.17 2qbh n VAL 94 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2qbh n MET 95 N 1.42 -0.33 -1.35 5.55 0.00 -1.26 0.32 117.12 121.46 2qbh n MET 95 Ca 0.11 0.02 -0.09 0.00 -0.00 0.00 0.00 57.70 57.74 2qbh n MET 95 Cb 0.30 -2.32 -0.04 0.00 0.00 0.00 0.00 33.22 31.16 2qbh n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qbh n ALA 96 N -4.75 -0.19 0.00 -5.12 0.00 -1.15 0.31 120.51 109.61 2qbh n ALA 96 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qbh n ALA 96 Cb 0.53 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.95 2qbh n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbh n GLY 97 N -0.21 2.59 0.00 0.00 0.00 0.15 -4.91 105.19 102.81 2qbh n GLY 97 Ca -0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.04 2qbh n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qbh n LEU 98 N 0.00 0.00 -4.81 0.99 4.77 0.15 -4.79 117.00 113.31 2qbh n LEU 98 Ca 0.00 0.43 -0.29 0.00 -0.03 0.00 0.00 56.01 56.12 2qbh n LEU 98 Cb 0.00 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.61 2qbh n LEU 98 CO 0.00 -0.11 -0.13 -0.83 -1.33 0.00 0.00 177.39 174.99 2qbh s GLY 99 N -2.87 2.70 0.06 -0.72 0.00 -0.61 -4.93 107.32 100.95 2qbh s GLY 99 Ca 0.14 -0.95 0.07 0.00 0.00 0.00 0.00 44.72 43.98 2qbh s GLY 99 CO 0.38 -2.07 -0.20 -0.26 0.00 0.00 0.00 173.10 170.95 2qbh s ILE 100 N -2.80 1.60 -0.41 0.90 -4.36 -0.87 -4.40 121.20 110.85 2qbh s ILE 100 Ca 0.21 -1.27 0.04 0.00 -0.26 0.00 0.00 60.65 59.36 2qbh s ILE 100 Cb 0.01 -1.42 0.11 0.00 1.25 0.00 0.00 42.46 42.41 2qbh s ILE 100 CO 0.12 0.10 0.14 0.00 0.24 0.00 0.00 174.94 175.53 2qbh s ALA 101 N -0.92 3.07 -0.08 2.27 0.00 -1.26 -1.41 121.76 123.43 2qbh s ALA 101 Ca 0.06 -2.84 -0.32 0.00 0.00 0.00 0.00 51.96 48.87 2qbh s ALA 101 Cb -0.09 -2.05 -0.10 0.00 0.00 0.00 0.00 23.12 20.88 2qbh s ALA 101 CO 0.02 -1.82 1.99 0.28 0.00 0.00 0.00 175.76 176.23 2qbh n VAL 102 N 3.79 0.60 -4.74 0.00 0.31 -0.84 -2.04 118.33 115.42 2qbh n VAL 102 Ca 0.04 -0.18 -0.25 0.00 -0.01 0.00 0.00 64.34 63.94 2qbh n VAL 102 Cb 0.38 -2.14 -0.16 0.00 -0.91 0.00 0.00 33.84 31.01 2qbh n VAL 102 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2qbh s VAL 103 N 5.10 1.31 -0.60 2.52 1.01 -1.01 0.34 120.40 129.07 2qbh s VAL 103 Ca 0.94 -0.63 -0.24 0.00 0.00 0.00 0.00 61.98 62.05 2qbh s VAL 103 Cb -0.55 -1.14 0.05 0.00 0.00 0.00 0.00 36.38 34.74 2qbh s VAL 103 CO 0.45 0.39 0.96 -0.55 0.00 0.00 0.00 175.10 176.35 2qbh s SER 104 N 0.23 6.27 0.39 3.32 0.15 0.13 -2.72 113.70 121.47 2qbh s SER 104 Ca -0.07 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 56.03 2qbh s SER 104 Cb -0.13 -2.43 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 2qbh s SER 104 CO 0.03 -1.33 0.57 0.42 1.20 0.00 0.00 173.24 174.13 2qbh s THR 105 N 4.06 4.06 -1.08 6.45 -4.23 0.31 -1.84 115.64 123.37 2qbh s THR 105 Ca 0.28 -0.75 0.12 0.00 -1.18 0.00 0.00 61.69 60.15 2qbh s THR 105 Cb -0.14 -3.45 0.12 0.00 1.34 0.00 0.00 72.50 70.37 2qbh s THR 105 CO 0.16 -0.24 1.35 -0.24 -0.54 0.00 0.00 174.62 175.11 2qbh n SER 106 N -1.85 0.00 -0.00 3.99 2.88 -1.26 -1.59 113.62 115.78 2qbh n SER 106 Ca 0.00 0.43 0.09 0.00 -1.33 0.00 0.00 58.87 58.06 2qbh n SER 106 Cb 0.58 -0.46 -0.13 0.00 -0.75 0.00 0.00 64.21 63.45 2qbh n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qbh n LYS 107 N -1.46 0.77 -1.95 -1.46 4.76 -1.26 -5.09 118.16 112.46 2qbh n LYS 107 Ca 0.03 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 2qbh n LYS 107 Cb 0.13 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 31.91 2qbh n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbh n GLY 108 N 1.43 -0.71 3.39 0.72 0.00 -0.62 -5.03 105.19 104.36 2qbh n GLY 108 Ca -0.00 -1.63 -0.45 0.00 0.00 0.00 0.00 46.02 43.94 2qbh n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbh s VAL 109 N -1.76 5.02 0.00 1.61 1.01 -1.26 -0.53 120.40 124.49 2qbh s VAL 109 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.35 2qbh s VAL 109 Cb 0.00 -4.59 0.00 0.00 0.00 0.00 0.00 36.38 31.79 2qbh s VAL 109 CO 0.00 -1.23 0.00 1.15 0.00 0.00 0.00 175.10 175.02 2qbh n MET 110 N 5.72 1.68 -3.80 2.72 3.85 -1.10 -4.82 117.12 121.36 2qbh n MET 110 Ca 0.09 0.00 -0.21 0.00 -1.00 0.00 0.00 57.70 56.58 2qbh n MET 110 Cb 0.46 0.00 -0.02 0.00 -1.05 0.00 0.00 33.22 32.61 2qbh n MET 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2qbh s THR 111 N 0.12 5.13 0.00 3.17 -4.23 -1.26 -2.40 115.64 116.17 2qbh s THR 111 Ca 0.00 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 2qbh s THR 111 Cb 0.00 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 70.01 2qbh s THR 111 CO 0.00 -0.37 0.79 -0.90 -0.54 0.00 0.00 174.62 173.60 2qbh n ASP 112 N -1.51 0.00 -0.35 3.99 5.75 -0.86 -1.13 116.55 122.44 2qbh n ASP 112 Ca -0.07 0.79 0.13 0.00 -0.01 0.00 0.00 54.79 55.63 2qbh n ASP 112 Cb 0.57 -0.29 0.26 0.00 -1.03 0.00 0.00 41.12 40.63 2qbh n ASP 112 CO 0.00 0.00 0.00 -0.09 -0.11 0.00 0.00 177.20 177.00 2qbh h ARG 113 N 0.00 0.00 0.24 0.11 1.12 -1.89 0.17 114.38 114.12 2qbh h ARG 113 Ca 0.00 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 2qbh h ARG 113 Cb 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 2qbh h ARG 113 CO 0.00 0.00 -0.22 0.00 -3.11 0.00 0.00 179.97 176.64 2qbh h ALA 114 N 1.99 -0.94 -0.73 2.80 0.00 -1.85 -2.27 119.26 118.26 2qbh h ALA 114 Ca 0.58 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.50 2qbh h ALA 114 Cb 1.14 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 19.30 2qbh h ALA 114 CO -0.95 -0.95 0.36 0.00 0.00 0.00 0.00 179.25 177.71 2qbh h ALA 115 N -1.41 1.02 -0.60 0.00 0.00 -0.03 -1.43 119.26 116.82 2qbh h ALA 115 Ca -0.03 0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.06 2qbh h ALA 115 Cb 0.39 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.03 2qbh h ALA 115 CO -0.02 -0.06 -0.14 -0.09 0.00 0.00 0.00 179.25 178.94 2qbh h ARG 116 N 0.60 0.01 -0.20 0.00 2.43 -0.56 -1.52 114.38 115.14 2qbh h ARG 116 Ca 0.37 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.44 2qbh h ARG 116 Cb 0.42 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2qbh h ARG 116 CO -0.29 0.00 -0.26 1.96 -1.51 0.00 0.00 179.97 179.87 2qbh h GLN 117 N 0.01 0.53 0.00 0.20 4.20 -0.80 -2.87 115.11 116.38 2qbh h GLN 117 Ca 0.29 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2qbh h GLN 117 Cb 0.45 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2qbh h GLN 117 CO -0.61 0.90 0.48 0.00 -0.67 0.00 0.00 178.83 178.93 2qbh h ALA 118 N 0.62 1.47 0.00 3.87 0.00 -0.29 -3.44 119.26 121.49 2qbh h ALA 118 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2qbh h ALA 118 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2qbh h ALA 118 CO 0.06 -0.47 0.00 0.41 0.00 0.00 0.00 179.25 179.26 2qbh n GLY 119 N -1.28 1.00 3.25 0.00 0.00 -0.84 -5.08 105.19 102.24 2qbh n GLY 119 Ca -0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 2qbh n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qbh s LEU 120 N 0.00 1.26 0.21 0.99 2.34 -1.08 -4.98 118.68 117.43 2qbh s LEU 120 Ca 0.00 -1.13 0.00 0.00 0.06 0.00 0.00 54.13 53.06 2qbh s LEU 120 Cb 0.00 0.70 -0.05 0.00 -0.56 0.00 0.00 46.19 46.29 2qbh s LEU 120 CO 0.00 -0.84 0.10 -0.83 -1.06 0.00 0.00 176.35 173.72 2qbh s GLY 121 N -3.05 1.50 0.00 -3.48 0.00 -1.26 -4.03 107.32 97.00 2qbh s GLY 121 Ca 0.25 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.24 2qbh s GLY 121 CO 0.04 -1.49 0.00 0.61 0.00 0.00 0.00 173.10 172.27 2qbh n GLY 122 N -0.33 1.60 3.66 0.20 0.00 -1.25 -4.48 105.19 104.59 2qbh n GLY 122 Ca -0.00 -0.96 -0.43 0.00 0.00 0.00 0.00 46.02 44.63 2qbh n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qbh s GLU 123 N -1.97 4.20 1.27 1.61 2.12 -0.77 -3.45 118.70 121.71 2qbh s GLU 123 Ca 0.00 1.58 -0.16 0.00 0.36 0.00 0.00 54.97 56.75 2qbh s GLU 123 Cb 0.00 -3.76 0.31 0.00 0.26 0.00 0.00 34.13 30.94 2qbh s GLU 123 CO 0.00 -0.74 0.91 -0.89 -0.54 0.00 0.00 175.26 174.00 2qbh n ILE 124 N 5.45 0.00 0.00 -3.70 5.41 -1.17 0.19 119.36 125.55 2qbh n ILE 124 Ca 0.14 -0.37 0.00 0.00 1.00 0.00 0.00 62.75 63.52 2qbh n ILE 124 Cb 0.45 -0.97 0.00 0.00 -0.71 0.00 0.00 39.64 38.41 2qbh n ILE 124 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2qbh n ILE 125 N -5.22 0.00 -3.61 1.39 5.41 0.15 -4.24 119.36 113.24 2qbh n ILE 125 Ca 0.05 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.76 2qbh n ILE 125 Cb 0.56 -0.46 -0.02 0.00 -0.71 0.00 0.00 39.64 39.01 2qbh n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qbh s TYR 127 N -2.84 3.46 -0.97 0.00 2.02 -0.90 -1.98 117.35 116.14 2qbh s TYR 127 Ca 0.10 -2.66 -0.18 0.00 -0.37 0.00 0.00 57.07 53.96 2qbh s TYR 127 Cb 0.00 -3.17 0.13 0.00 -0.40 0.00 0.00 41.96 38.52 2qbh s TYR 127 CO -0.04 -0.88 1.18 0.08 -1.57 0.00 0.00 175.55 174.31 2qbh s VAL 128 N 0.36 4.74 -2.00 0.71 1.01 -0.50 -3.76 120.40 120.96 2qbh s VAL 128 Ca 0.14 -1.69 0.10 0.00 0.00 0.00 0.00 61.98 60.53 2qbh s VAL 128 Cb -0.22 -4.81 0.30 0.00 0.00 0.00 0.00 36.38 31.65 2qbh s VAL 128 CO -0.04 -1.54 1.06 0.00 0.00 0.00 0.00 175.10 174.59