#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qb9 n MET 2 N 0.00 1.25 0.13 4.33 0.00 -1.26 -4.58 117.12 116.99 2qb9 n MET 2 Ca 0.00 -2.27 0.12 0.00 0.00 0.00 0.00 57.70 55.55 2qb9 n MET 2 Cb 0.00 -3.74 0.09 0.00 0.00 0.00 0.00 33.22 29.57 2qb9 n MET 2 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 175.97 177.93 2qb9 h GLN 3 N 10.07 0.00 -3.00 2.12 4.20 -2.07 -3.42 115.11 123.02 2qb9 h GLN 3 Ca 0.18 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 58.34 2qb9 h GLN 3 Cb 0.94 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.32 2qb9 h GLN 3 CO 1.21 0.00 -0.78 0.34 -0.67 0.00 0.00 178.83 178.93 2qb9 s ASP 4 N -5.43 3.65 0.15 1.46 3.68 -1.26 -4.98 116.67 113.94 2qb9 s ASP 4 Ca 0.03 -1.45 -0.11 0.00 2.13 0.00 0.00 52.55 53.15 2qb9 s ASP 4 Cb 0.09 -0.50 0.00 0.00 -1.45 0.00 0.00 42.92 41.06 2qb9 s ASP 4 CO 0.74 -0.42 1.56 1.55 0.13 0.00 0.00 175.17 178.72 2qb9 h PRO 5 N 8.23 0.93 0.04 4.34 0.13 -1.98 -3.27 132.00 140.43 2qb9 h PRO 5 Ca -0.17 -0.36 0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2qb9 h PRO 5 Cb 1.01 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.04 2qb9 h PRO 5 CO 0.44 1.02 -0.28 0.82 -0.23 0.00 0.00 178.00 179.77 2qb9 h ILE 6 N 0.78 0.38 -0.84 -3.56 1.08 -2.00 -2.14 117.51 111.21 2qb9 h ILE 6 Ca 0.12 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.80 2qb9 h ILE 6 Cb 0.68 0.38 -0.13 0.00 -3.07 0.00 0.00 36.82 34.68 2qb9 h ILE 6 CO 0.05 0.00 0.25 0.00 -0.69 0.00 0.00 178.15 177.75 2qb9 h ALA 7 N 0.31 1.21 -0.17 1.87 0.00 -1.97 0.49 119.26 121.00 2qb9 h ALA 7 Ca 0.05 0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.18 2qb9 h ALA 7 Cb 0.52 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 2qb9 h ALA 7 CO -0.21 -0.40 0.01 0.22 0.00 0.00 0.00 179.25 178.86 2qb9 h ASP 8 N 0.26 -0.04 -0.36 0.00 1.82 -1.45 0.39 116.42 117.05 2qb9 h ASP 8 Ca 0.51 0.03 0.05 0.00 -0.39 0.00 0.00 57.03 57.23 2qb9 h ASP 8 Cb 0.98 0.05 -0.04 0.00 0.68 0.00 0.00 39.33 41.00 2qb9 h ASP 8 CO -0.59 0.00 0.11 -0.03 -1.61 0.00 0.00 179.24 177.12 2qb9 h MET 9 N 0.07 0.24 0.29 0.28 4.05 -0.57 0.27 114.93 119.56 2qb9 h MET 9 Ca 0.08 -0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 2qb9 h MET 9 Cb 0.09 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.83 2qb9 h MET 9 CO -0.12 0.16 -0.14 -0.07 0.23 0.00 0.00 176.91 176.97 2qb9 h LEU 10 N 0.25 -0.33 -0.57 3.39 3.38 -0.77 -2.56 115.31 118.10 2qb9 h LEU 10 Ca 0.16 -0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2qb9 h LEU 10 Cb 0.16 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 2qb9 h LEU 10 CO -0.18 -0.14 0.32 0.71 0.09 0.00 0.00 178.44 179.24 2qb9 h THR 11 N -0.50 1.01 -0.85 0.22 1.35 0.01 -2.16 112.91 111.98 2qb9 h THR 11 Ca -0.04 -0.21 0.09 0.00 -0.55 0.00 0.00 66.41 65.70 2qb9 h THR 11 Cb 0.38 0.33 -0.06 0.00 -1.73 0.00 0.00 68.15 67.07 2qb9 h THR 11 CO 0.07 0.11 0.55 0.03 -0.25 0.00 0.00 175.52 176.03 2qb9 h ARG 12 N 0.62 0.83 0.31 4.72 3.08 -0.39 -0.15 114.38 123.40 2qb9 h ARG 12 Ca 0.24 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.23 2qb9 h ARG 12 Cb 0.09 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.96 2qb9 h ARG 12 CO -0.13 0.55 -0.15 0.82 -1.07 0.00 0.00 179.97 179.98 2qb9 h ILE 13 N 0.85 0.72 -0.71 2.04 2.04 -0.97 -2.37 117.51 119.11 2qb9 h ILE 13 Ca 0.39 -0.35 -0.06 0.00 1.00 0.00 0.00 64.86 65.84 2qb9 h ILE 13 Cb 0.38 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2qb9 h ILE 13 CO -0.16 0.07 0.21 0.08 0.00 0.00 0.00 178.15 178.36 2qb9 h ARG 14 N -0.61 1.11 -0.17 2.37 0.11 -1.26 -1.22 114.38 114.71 2qb9 h ARG 14 Ca -0.04 -0.25 0.05 0.00 0.10 0.00 0.00 59.98 59.84 2qb9 h ARG 14 Cb 0.44 -0.16 -0.01 0.00 1.11 0.00 0.00 29.97 31.36 2qb9 h ARG 14 CO 0.07 0.96 0.13 -0.91 0.10 0.00 0.00 179.97 180.32 2qb9 h ASN 15 N 1.05 0.00 0.03 0.08 2.35 -1.01 -2.31 115.58 115.78 2qb9 h ASN 15 Ca 0.23 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 2qb9 h ASN 15 Cb 0.32 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.70 2qb9 h ASN 15 CO -0.00 0.00 -0.20 1.23 -1.65 0.00 0.00 177.43 176.80 2qb9 h GLY 16 N 0.00 0.09 -0.50 2.83 0.00 -0.83 -3.00 103.07 101.67 2qb9 h GLY 16 Ca 0.08 -0.22 0.35 0.00 0.00 0.00 0.00 47.33 47.54 2qb9 h GLY 16 CO -0.00 0.20 0.83 1.46 0.00 0.00 0.00 176.54 179.03 2qb9 h GLN 17 N -0.82 0.13 0.15 4.80 1.08 -0.72 0.55 115.11 120.28 2qb9 h GLN 17 Ca -0.03 -0.01 -0.29 0.00 -1.45 0.00 0.00 58.65 56.87 2qb9 h GLN 17 Cb 1.14 -0.03 0.01 0.00 -0.05 0.00 0.00 27.48 28.55 2qb9 h GLN 17 CO 0.04 0.09 -1.34 0.00 -0.95 0.00 0.00 178.83 176.66 2qb9 h ALA 18 N 1.47 0.08 -0.12 3.87 0.00 -1.52 -3.23 119.26 119.81 2qb9 h ALA 18 Ca 0.63 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qb9 h ALA 18 Cb 2.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 20.05 2qb9 h ALA 18 CO -0.15 0.95 0.00 0.00 0.00 0.00 0.00 179.25 180.05 2qb9 n ALA 19 N -2.59 2.54 -1.81 0.00 0.00 0.16 -4.89 120.51 113.91 2qb9 n ALA 19 Ca -0.11 -0.36 -0.17 0.00 0.00 0.00 0.00 53.44 52.79 2qb9 n ALA 19 Cb 1.04 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.31 2qb9 n ALA 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qb9 n ASN 20 N -0.07 -4.68 -4.75 0.00 3.02 0.74 -4.90 115.26 104.62 2qb9 n ASN 20 Ca 0.14 0.30 -0.42 0.00 -0.03 0.00 0.00 54.58 54.57 2qb9 n ASN 20 Cb 0.21 -4.11 -0.01 0.00 -0.61 0.00 0.00 39.78 35.26 2qb9 n ASN 20 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2qb9 n LYS 21 N -2.40 2.70 0.18 3.52 4.76 -0.98 -4.92 118.16 121.02 2qb9 n LYS 21 Ca -0.18 0.96 -0.16 0.00 -2.87 0.00 0.00 58.31 56.06 2qb9 n LYS 21 Cb 0.59 -2.72 -0.08 0.00 -1.84 0.00 0.00 35.03 30.98 2qb9 n LYS 21 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qb9 h ALA 22 N 4.28 -0.85 -3.00 7.82 0.00 -1.92 -3.43 119.26 122.16 2qb9 h ALA 22 Ca -0.48 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2qb9 h ALA 22 Cb 1.23 0.68 0.00 0.00 0.00 0.00 0.00 17.79 19.70 2qb9 h ALA 22 CO 0.75 -1.04 0.00 0.00 0.00 0.00 0.00 179.25 178.97 2qb9 n ALA 23 N -2.80 0.00 -3.63 0.00 0.00 -1.26 -2.50 120.51 110.32 2qb9 n ALA 23 Ca -0.09 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 2qb9 n ALA 23 Cb 0.40 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.78 2qb9 n ALA 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qb9 s VAL 24 N 0.86 0.00 0.48 0.00 0.11 0.95 -4.77 120.40 118.03 2qb9 s VAL 24 Ca 0.00 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.09 2qb9 s VAL 24 Cb 0.00 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2qb9 s VAL 24 CO 0.00 0.00 0.15 0.42 -3.33 0.00 0.00 175.10 172.34 2qb9 s THR 25 N -0.07 1.67 0.00 5.04 -4.23 -1.26 -0.53 115.64 116.26 2qb9 s THR 25 Ca 0.04 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.75 2qb9 s THR 25 Cb -0.04 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.33 2qb9 s THR 25 CO -0.07 0.00 0.00 1.15 -0.54 0.00 0.00 174.62 175.16 2qb9 n MET 26 N -1.34 0.00 -1.97 3.99 0.00 -1.26 -4.91 117.12 111.62 2qb9 n MET 26 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 57.70 57.19 2qb9 n MET 26 Cb 0.66 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.85 2qb9 n MET 26 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2qb9 s PRO 27 N -2.00 4.13 0.96 3.17 0.04 -1.26 -1.81 135.00 138.23 2qb9 s PRO 27 Ca 0.00 2.19 -0.15 0.00 0.04 0.00 0.00 61.00 63.08 2qb9 s PRO 27 Cb 0.00 -4.01 0.18 0.00 0.04 0.00 0.00 34.50 30.71 2qb9 s PRO 27 CO 0.00 -0.91 1.22 -1.54 0.04 0.00 0.00 177.00 175.81 2qb9 s SER 28 N 3.61 3.08 -0.20 6.66 1.04 -1.14 -4.94 113.70 121.82 2qb9 s SER 28 Ca 0.75 0.56 -0.34 0.00 0.48 0.00 0.00 55.95 57.41 2qb9 s SER 28 Cb -0.34 -0.83 0.14 0.00 0.10 0.00 0.00 66.02 65.10 2qb9 s SER 28 CO 0.31 -2.78 1.20 -0.94 0.98 0.00 0.00 173.24 172.02 2qb9 s SER 29 N -4.50 -0.15 0.06 7.02 1.04 -1.26 -4.90 113.70 111.01 2qb9 s SER 29 Ca 0.69 0.05 -0.11 0.00 0.48 0.00 0.00 55.95 57.06 2qb9 s SER 29 Cb -0.08 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 2qb9 s SER 29 CO 0.53 -0.22 0.99 1.17 0.98 0.00 0.00 173.24 176.69 2qb9 n LYS 30 N 0.08 -0.16 0.07 4.02 4.81 -1.26 -1.23 118.16 124.50 2qb9 n LYS 30 Ca -0.01 0.98 -0.12 0.00 -0.87 0.00 0.00 58.31 58.29 2qb9 n LYS 30 Cb 0.58 -1.46 -0.07 0.00 0.02 0.00 0.00 35.03 34.11 2qb9 n LYS 30 CO 0.00 0.00 0.00 1.25 1.17 0.00 0.00 177.40 179.82 2qb9 h LEU 31 N 0.00 -0.10 -0.87 3.14 5.85 -1.99 -2.10 115.31 119.24 2qb9 h LEU 31 Ca 0.06 0.01 0.22 0.00 0.84 0.00 0.00 57.88 59.01 2qb9 h LEU 31 Cb 0.15 0.03 -0.13 0.00 0.37 0.00 0.00 40.66 41.08 2qb9 h LEU 31 CO -0.33 -0.07 0.30 0.11 -0.34 0.00 0.00 178.44 178.11 2qb9 h LYS 32 N -0.10 0.29 0.44 1.25 1.57 -1.71 -0.26 116.57 118.05 2qb9 h LYS 32 Ca -0.00 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2qb9 h LYS 32 Cb 0.09 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2qb9 h LYS 32 CO -0.00 0.19 -0.21 0.28 -0.57 0.00 0.00 179.45 179.14 2qb9 h VAL 33 N 0.29 0.51 -0.63 0.50 2.07 -0.86 -1.79 116.25 116.35 2qb9 h VAL 33 Ca 0.54 -0.41 0.12 0.00 0.82 0.00 0.00 66.70 67.77 2qb9 h VAL 33 Cb 1.06 0.69 -0.12 0.00 -1.52 0.00 0.00 31.29 31.39 2qb9 h VAL 33 CO -0.58 0.07 -0.17 0.00 0.02 0.00 0.00 177.57 176.90 2qb9 h ALA 34 N -0.43 0.38 0.21 1.67 0.00 -0.57 0.24 119.26 120.76 2qb9 h ALA 34 Ca -0.06 0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2qb9 h ALA 34 Cb 0.56 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2qb9 h ALA 34 CO 0.10 -0.45 -0.12 0.82 0.00 0.00 0.00 179.25 179.61 2qb9 h ILE 35 N -0.02 0.76 -0.64 0.00 2.04 -1.10 -2.00 117.51 116.55 2qb9 h ILE 35 Ca 0.30 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.29 2qb9 h ILE 35 Cb 0.47 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2qb9 h ILE 35 CO -0.65 0.00 0.44 0.00 0.00 0.00 0.00 178.15 177.93 2qb9 h ALA 36 N 0.48 2.20 0.86 1.87 0.00 -0.30 -1.77 119.26 122.59 2qb9 h ALA 36 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2qb9 h ALA 36 Cb 0.25 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.01 2qb9 h ALA 36 CO 0.03 -0.36 -0.41 -0.97 0.00 0.00 0.00 179.25 177.54 2qb9 h ASN 37 N 0.29 -0.97 -0.82 0.00 -0.00 0.14 -2.15 115.58 112.07 2qb9 h ASN 37 Ca 0.31 0.03 0.21 0.00 -0.00 0.00 0.00 56.30 56.84 2qb9 h ASN 37 Cb 0.81 0.25 -0.05 0.00 -0.00 0.00 0.00 38.32 39.33 2qb9 h ASN 37 CO -0.07 -0.65 0.56 0.58 -0.00 0.00 0.00 177.43 177.85 2qb9 h VAL 38 N -1.25 0.66 -0.21 2.57 2.07 -0.92 0.40 116.25 119.57 2qb9 h VAL 38 Ca -0.12 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.25 2qb9 h VAL 38 Cb 0.89 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 2qb9 h VAL 38 CO 0.19 0.04 -0.22 -0.07 0.02 0.00 0.00 177.57 177.53 2qb9 h LEU 39 N 0.21 0.38 0.00 2.57 3.38 -0.96 -1.00 115.31 119.89 2qb9 h LEU 39 Ca 0.41 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2qb9 h LEU 39 Cb 1.27 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2qb9 h LEU 39 CO -0.09 0.61 -0.28 0.50 0.09 0.00 0.00 178.44 179.27 2qb9 h LYS 40 N 0.35 0.00 -0.17 1.13 3.64 0.30 0.25 116.57 122.07 2qb9 h LYS 40 Ca 0.06 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.49 2qb9 h LYS 40 Cb 0.58 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 2qb9 h LYS 40 CO 0.04 0.91 0.18 0.93 -2.27 0.00 0.00 179.45 179.24 2qb9 h GLU 41 N -1.00 0.00 0.00 1.90 4.39 -0.79 -0.79 114.58 118.29 2qb9 h GLU 41 Ca -0.08 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.62 2qb9 h GLU 41 Cb 0.98 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 2qb9 h GLU 41 CO -0.05 0.00 -0.89 0.39 -1.16 0.00 0.00 179.01 177.31 2qb9 n GLU 42 N -3.85 0.19 -0.65 2.33 -0.58 -0.38 -5.01 120.64 112.69 2qb9 n GLU 42 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2qb9 n GLU 42 Cb 0.31 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 2qb9 n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qb9 n GLY 43 N 1.41 0.70 0.00 0.62 0.00 -0.30 -5.03 105.19 102.59 2qb9 n GLY 43 Ca 0.03 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.49 2qb9 n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qb9 n PHE 44 N -0.57 0.00 -3.73 1.61 3.72 0.06 -5.01 117.46 113.54 2qb9 n PHE 44 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 2qb9 n PHE 44 Cb 0.22 0.00 -0.13 0.00 -0.94 0.00 0.00 39.48 38.62 2qb9 n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 2qb9 s ILE 45 N -0.12 -0.04 0.05 4.37 -4.36 -1.19 -3.48 121.20 116.44 2qb9 s ILE 45 Ca 0.00 0.15 -0.11 0.00 -0.26 0.00 0.00 60.65 60.42 2qb9 s ILE 45 Cb 0.00 -0.36 -0.03 0.00 1.25 0.00 0.00 42.46 43.32 2qb9 s ILE 45 CO 0.00 0.06 1.19 -0.33 0.24 0.00 0.00 174.94 176.10 2qb9 h GLU 46 N 7.15 -0.08 0.00 0.37 5.08 -1.80 -3.40 114.58 121.90 2qb9 h GLU 46 Ca -0.41 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 57.92 2qb9 h GLU 46 Cb 1.16 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2qb9 h GLU 46 CO 0.38 -0.05 0.10 -3.47 -1.00 0.00 0.00 179.01 174.97 2qb9 n ASP 47 N -3.71 -1.09 -3.55 1.42 2.03 -1.26 -4.99 116.55 105.41 2qb9 n ASP 47 Ca -0.00 -1.84 -0.17 0.00 0.52 0.00 0.00 54.79 53.30 2qb9 n ASP 47 Cb 0.11 1.83 -0.06 0.00 -0.72 0.00 0.00 41.12 42.28 2qb9 n ASP 47 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 2qb9 s PHE 48 N -5.25 -0.69 -0.11 -0.67 -0.71 -1.26 -2.30 117.98 106.99 2qb9 s PHE 48 Ca 0.09 1.32 -0.05 0.00 -1.04 0.00 0.00 56.93 57.26 2qb9 s PHE 48 Cb -0.02 0.38 0.05 0.00 -1.21 0.00 0.00 43.02 42.22 2qb9 s PHE 48 CO 0.07 -0.54 0.24 0.21 -1.34 0.00 0.00 175.22 173.86 2qb9 s LYS 49 N -0.78 0.15 -0.48 1.99 2.47 -0.73 -4.96 119.74 117.40 2qb9 s LYS 49 Ca -0.08 0.63 -0.25 0.00 -1.56 0.00 0.00 55.97 54.71 2qb9 s LYS 49 Cb -0.01 -0.10 0.03 0.00 -1.46 0.00 0.00 37.83 36.29 2qb9 s LYS 49 CO 0.07 -0.24 0.94 0.54 0.16 0.00 0.00 175.35 176.83 2qb9 s VAL 50 N 1.92 4.43 0.00 4.02 0.11 -1.26 0.11 120.40 129.74 2qb9 s VAL 50 Ca -0.03 0.68 0.00 0.00 -2.93 0.00 0.00 61.98 59.70 2qb9 s VAL 50 Cb -0.11 -4.47 0.00 0.00 -1.53 0.00 0.00 36.38 30.27 2qb9 s VAL 50 CO -0.08 -0.91 0.00 -0.62 -3.33 0.00 0.00 175.10 170.16 2qb9 n GLU 51 N 7.29 0.90 -1.21 1.54 1.02 -1.24 -4.77 120.64 124.17 2qb9 n GLU 51 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2qb9 n GLU 51 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.90 2qb9 n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2qb9 n GLY 52 N 5.00 -4.37 0.00 0.62 0.00 -1.26 -0.83 105.19 104.35 2qb9 n GLY 52 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2qb9 n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qb9 n ASP 53 N -0.22 0.00 0.06 1.61 10.43 -1.26 -4.20 116.55 122.97 2qb9 n ASP 53 Ca 0.00 0.22 -0.14 0.00 2.57 0.00 0.00 54.79 57.44 2qb9 n ASP 53 Cb 0.00 -0.37 -0.04 0.00 1.84 0.00 0.00 41.12 42.54 2qb9 n ASP 53 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qb9 h THR 54 N 0.00 1.39 -3.49 -3.53 1.03 -2.05 -3.39 112.91 102.87 2qb9 h THR 54 Ca 0.00 -2.39 -0.70 0.00 -0.01 0.00 0.00 66.41 63.31 2qb9 h THR 54 Cb 0.00 2.38 -0.34 0.00 -1.07 0.00 0.00 68.15 69.11 2qb9 h THR 54 CO 0.00 0.72 -0.49 -0.54 -0.01 0.00 0.00 175.52 175.20 2qb9 s LYS 55 N -3.31 2.18 0.41 0.00 -0.14 -1.26 -5.09 119.74 112.52 2qb9 s LYS 55 Ca -0.06 -2.02 -0.26 0.00 -1.36 0.00 0.00 55.97 52.28 2qb9 s LYS 55 Cb 0.09 -3.64 -0.08 0.00 -1.68 0.00 0.00 37.83 32.51 2qb9 s LYS 55 CO 0.87 -1.11 1.26 -1.25 -0.76 0.00 0.00 175.35 174.36 2qb9 s PRO 56 N 0.81 3.96 0.00 -1.68 0.04 -1.26 -4.14 135.00 132.74 2qb9 s PRO 56 Ca 0.11 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2qb9 s PRO 56 Cb -0.22 -2.71 0.00 0.00 0.04 0.00 0.00 34.50 31.61 2qb9 s PRO 56 CO -0.04 -0.46 0.00 -1.91 0.04 0.00 0.00 177.00 174.63 2qb9 n GLU 57 N 0.06 3.30 -2.99 4.56 4.07 -0.01 -2.87 120.64 126.76 2qb9 n GLU 57 Ca 0.04 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.15 2qb9 n GLU 57 Cb 0.45 0.00 -0.00 0.00 -0.06 0.00 0.00 31.44 31.83 2qb9 n GLU 57 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 2qb9 s LEU 58 N 0.00 -1.07 -1.14 4.31 0.20 -0.75 -3.60 118.68 116.63 2qb9 s LEU 58 Ca 0.00 -0.66 -0.23 0.00 0.69 0.00 0.00 54.13 53.93 2qb9 s LEU 58 Cb 0.00 1.38 -0.10 0.00 -0.43 0.00 0.00 46.19 47.04 2qb9 s LEU 58 CO 0.00 -0.11 1.94 -0.62 -0.29 0.00 0.00 176.35 177.27 2qb9 n GLU 59 N 3.93 1.53 -3.08 1.98 1.02 0.31 -4.01 120.64 122.33 2qb9 n GLU 59 Ca 0.10 -2.38 -0.42 0.00 -0.02 0.00 0.00 57.16 54.44 2qb9 n GLU 59 Cb 0.59 -3.66 -0.06 0.00 -0.02 0.00 0.00 31.44 28.29 2qb9 n GLU 59 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2qb9 s LEU 60 N 10.26 4.31 -0.15 -4.62 0.20 0.31 -1.78 118.68 127.22 2qb9 s LEU 60 Ca 0.68 -0.01 -0.20 0.00 0.69 0.00 0.00 54.13 55.29 2qb9 s LEU 60 Cb 0.01 -2.81 -0.03 0.00 -0.43 0.00 0.00 46.19 42.92 2qb9 s LEU 60 CO 0.14 -0.70 0.56 0.42 -0.29 0.00 0.00 176.35 176.48 2qb9 s THR 61 N 2.85 5.11 0.22 3.68 -4.23 -0.97 -0.04 115.64 122.25 2qb9 s THR 61 Ca 0.25 1.09 -0.30 0.00 -1.18 0.00 0.00 61.69 61.56 2qb9 s THR 61 Cb -0.14 -3.89 -0.09 0.00 1.34 0.00 0.00 72.50 69.72 2qb9 s THR 61 CO 0.17 0.23 0.93 -0.76 -0.54 0.00 0.00 174.62 174.65 2qb9 s LEU 62 N 1.20 4.63 0.07 4.79 1.02 -1.04 -3.10 118.68 126.24 2qb9 s LEU 62 Ca 0.28 1.91 0.00 0.00 0.02 0.00 0.00 54.13 56.34 2qb9 s LEU 62 Cb -0.16 -3.59 -0.04 0.00 0.02 0.00 0.00 46.19 42.43 2qb9 s LEU 62 CO 0.11 0.13 0.21 -0.75 0.02 0.00 0.00 176.35 176.07 2qb9 s LYS 63 N -1.02 3.40 -0.03 1.70 2.20 -1.23 -4.63 119.74 120.14 2qb9 s LYS 63 Ca 0.41 -0.47 -0.01 0.00 -0.36 0.00 0.00 55.97 55.55 2qb9 s LYS 63 Cb -0.25 -3.01 0.03 0.00 -1.51 0.00 0.00 37.83 33.08 2qb9 s LYS 63 CO 0.31 0.60 0.04 0.71 -0.36 0.00 0.00 175.35 176.65 2qb9 s TYR 64 N -1.52 0.03 0.00 4.03 1.51 -1.26 -2.13 117.35 118.00 2qb9 s TYR 64 Ca 0.35 0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.58 2qb9 s TYR 64 Cb -0.13 -0.29 0.00 0.00 -0.11 0.00 0.00 41.96 41.44 2qb9 s TYR 64 CO 0.28 -0.12 0.00 0.34 -1.11 0.00 0.00 175.55 174.94 2qb9 n PHE 65 N 4.43 0.00 0.00 2.71 7.35 -1.14 -4.88 117.46 125.94 2qb9 n PHE 65 Ca -0.22 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.47 2qb9 n PHE 65 Cb 0.50 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.33 2qb9 n PHE 65 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2qb9 n GLN 66 N -0.01 0.00 -0.85 -4.13 6.02 -1.26 -4.87 117.38 112.28 2qb9 n GLN 66 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.00 56.88 2qb9 n GLN 66 Cb 0.00 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.12 2qb9 n GLN 66 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qb9 n GLY 67 N 5.00 2.73 3.61 1.08 0.00 -1.26 -4.74 105.19 111.61 2qb9 n GLY 67 Ca 0.00 -1.03 0.01 0.00 0.00 0.00 0.00 46.02 45.00 2qb9 n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qb9 s LYS 68 N 1.37 0.33 0.38 1.61 2.47 -1.26 -5.17 119.74 119.47 2qb9 s LYS 68 Ca 0.56 -0.17 -0.09 0.00 -1.56 0.00 0.00 55.97 54.71 2qb9 s LYS 68 Cb 0.26 0.12 -0.06 0.00 -1.46 0.00 0.00 37.83 36.69 2qb9 s LYS 68 CO -0.00 -0.15 0.72 0.00 0.16 0.00 0.00 175.35 176.08 2qb9 s ALA 69 N -2.37 3.42 0.19 3.13 0.00 -1.26 -2.88 121.76 122.00 2qb9 s ALA 69 Ca 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 2qb9 s ALA 69 Cb 0.04 -2.59 0.12 0.00 0.00 0.00 0.00 23.12 20.69 2qb9 s ALA 69 CO -0.04 0.03 1.53 0.28 0.00 0.00 0.00 175.76 177.56 2qb9 h VAL 70 N 1.10 1.30 -1.98 0.00 2.07 -1.76 -3.39 116.25 113.59 2qb9 h VAL 70 Ca -0.47 -1.66 -0.64 0.00 0.82 0.00 0.00 66.70 64.75 2qb9 h VAL 70 Cb 1.19 1.61 -0.14 0.00 -1.52 0.00 0.00 31.29 32.43 2qb9 h VAL 70 CO 0.64 0.53 1.04 -0.69 0.02 0.00 0.00 177.57 179.11 2qb9 s VAL 71 N -4.18 4.31 0.15 2.57 1.01 -1.26 -4.81 120.40 118.19 2qb9 s VAL 71 Ca -0.08 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.01 2qb9 s VAL 71 Cb 0.12 -4.88 -0.18 0.00 0.00 0.00 0.00 36.38 31.44 2qb9 s VAL 71 CO 0.84 -1.68 1.33 1.05 0.00 0.00 0.00 175.10 176.65 2qb9 h GLU 72 N 9.37 0.03 -2.18 2.72 9.09 -1.78 -3.45 114.58 128.37 2qb9 h GLU 72 Ca 0.07 -0.04 -0.00 0.00 0.05 0.00 0.00 59.36 59.44 2qb9 h GLU 72 Cb 1.03 0.01 -0.23 0.00 -1.65 0.00 0.00 28.75 27.92 2qb9 h GLU 72 CO 1.24 0.95 -0.13 0.45 0.05 0.00 0.00 179.01 181.57 2qb9 s SER 73 N -6.77 -0.84 -0.14 3.06 0.15 -1.26 -5.09 113.70 102.81 2qb9 s SER 73 Ca 0.00 1.36 -0.05 0.00 0.70 0.00 0.00 55.95 57.96 2qb9 s SER 73 Cb 0.10 1.55 0.07 0.00 -1.71 0.00 0.00 66.02 66.03 2qb9 s SER 73 CO 0.81 -0.23 0.26 -0.51 1.20 0.00 0.00 173.24 174.78 2qb9 s ILE 74 N 2.11 -0.41 0.08 6.45 2.07 -1.26 -2.21 121.20 128.03 2qb9 s ILE 74 Ca -0.08 0.22 0.01 0.00 -1.41 0.00 0.00 60.65 59.40 2qb9 s ILE 74 Cb -0.09 -0.49 -0.04 0.00 0.13 0.00 0.00 42.46 41.98 2qb9 s ILE 74 CO -0.17 0.07 -0.06 -1.10 -1.91 0.00 0.00 174.94 171.76 2qb9 s GLN 75 N 2.41 0.74 0.66 3.50 1.11 -1.26 -4.88 119.66 121.94 2qb9 s GLN 75 Ca 0.02 -1.21 -0.11 0.00 0.01 0.00 0.00 55.36 54.07 2qb9 s GLN 75 Cb -0.13 -0.14 -0.02 0.00 -1.01 0.00 0.00 33.01 31.72 2qb9 s GLN 75 CO -0.09 -0.03 1.05 0.50 0.01 0.00 0.00 175.29 176.73 2qb9 s ARG 76 N -3.46 3.27 0.00 2.91 6.06 -1.26 -1.75 118.95 124.71 2qb9 s ARG 76 Ca 0.07 0.76 0.00 0.00 -2.50 0.00 0.00 55.73 54.06 2qb9 s ARG 76 Cb 0.03 -2.04 0.00 0.00 0.06 0.00 0.00 34.95 33.00 2qb9 s ARG 76 CO -0.05 -0.81 0.00 0.28 -2.50 0.00 0.00 175.30 172.22 2qb9 n VAL 77 N -2.91 0.00 -0.82 7.11 0.31 -1.00 -4.80 118.33 116.22 2qb9 n VAL 77 Ca 0.07 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.27 2qb9 n VAL 77 Cb 0.54 -0.38 -0.12 0.00 -0.91 0.00 0.00 33.84 32.97 2qb9 n VAL 77 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2qb9 n SER 78 N -2.01 4.51 -4.64 4.52 2.88 -1.26 -4.84 113.62 112.78 2qb9 n SER 78 Ca 0.00 -2.30 -0.30 0.00 -1.33 0.00 0.00 58.87 54.94 2qb9 n SER 78 Cb 0.00 -1.15 0.18 0.00 -0.75 0.00 0.00 64.21 62.49 2qb9 n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qb9 s ARG 79 N 1.60 0.62 1.15 -1.46 1.70 -1.25 -4.59 118.95 116.71 2qb9 s ARG 79 Ca 0.53 1.35 -0.15 0.00 -0.47 0.00 0.00 55.73 57.00 2qb9 s ARG 79 Cb 0.24 -1.70 0.26 0.00 -0.57 0.00 0.00 34.95 33.19 2qb9 s ARG 79 CO -0.01 -2.84 1.05 -1.25 -1.08 0.00 0.00 175.30 171.17 2qb9 s PRO 80 N -4.62 -0.78 0.00 3.89 0.04 -1.26 -2.93 135.00 129.34 2qb9 s PRO 80 Ca 0.67 0.48 0.00 0.00 0.04 0.00 0.00 61.00 62.19 2qb9 s PRO 80 Cb -0.23 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2qb9 s PRO 80 CO 0.59 -3.54 0.00 0.41 0.04 0.00 0.00 177.00 174.51 2qb9 n GLY 81 N -0.09 0.09 2.68 0.56 0.00 -1.26 -4.60 105.19 102.57 2qb9 n GLY 81 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 2qb9 n GLY 81 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qb9 n LEU 82 N 0.00 -1.65 -4.74 0.99 -0.00 -1.17 -5.17 117.00 105.27 2qb9 n LEU 82 Ca 0.00 -1.63 -0.29 0.00 -0.00 0.00 0.00 56.01 54.09 2qb9 n LEU 82 Cb 0.02 0.59 0.14 0.00 -0.00 0.00 0.00 43.42 44.17 2qb9 n LEU 82 CO 0.00 1.47 0.68 -0.13 -0.00 0.00 0.00 177.39 179.40 2qb9 s ARG 83 N 0.58 1.05 -0.14 1.96 1.81 -1.15 -3.78 118.95 119.29 2qb9 s ARG 83 Ca 0.26 0.54 -0.04 0.00 -1.72 0.00 0.00 55.73 54.76 2qb9 s ARG 83 Cb 0.16 -1.81 0.07 0.00 -0.45 0.00 0.00 34.95 32.92 2qb9 s ARG 83 CO -0.10 -2.31 0.21 0.42 -0.68 0.00 0.00 175.30 172.83 2qb9 s ILE 84 N -3.08 -0.32 -0.17 1.52 1.01 -1.26 -4.94 121.20 113.96 2qb9 s ILE 84 Ca 0.64 0.18 0.01 0.00 0.00 0.00 0.00 60.65 61.47 2qb9 s ILE 84 Cb -0.17 -0.46 0.02 0.00 0.01 0.00 0.00 42.46 41.86 2qb9 s ILE 84 CO 0.56 0.02 -0.17 -0.31 0.00 0.00 0.00 174.94 175.03 2qb9 s TYR 85 N 2.34 2.58 0.31 3.97 1.51 -1.26 -2.83 117.35 123.96 2qb9 s TYR 85 Ca 0.04 -1.53 0.07 0.00 -1.01 0.00 0.00 57.07 54.64 2qb9 s TYR 85 Cb -0.13 -1.80 -0.03 0.00 -0.11 0.00 0.00 41.96 39.89 2qb9 s TYR 85 CO -0.09 -0.76 0.31 0.15 -1.11 0.00 0.00 175.55 174.05 2qb9 s LYS 86 N 1.35 2.90 0.56 -0.62 -0.14 -0.87 -5.01 119.74 117.91 2qb9 s LYS 86 Ca 0.04 -1.15 -0.02 0.00 -1.36 0.00 0.00 55.97 53.49 2qb9 s LYS 86 Cb -0.13 -2.59 0.03 0.00 -1.68 0.00 0.00 37.83 33.45 2qb9 s LYS 86 CO -0.12 0.19 0.81 1.03 -0.76 0.00 0.00 175.35 176.50 2qb9 s ARG 87 N -3.99 2.67 0.26 1.68 0.52 -1.26 -3.16 118.95 115.67 2qb9 s ARG 87 Ca 0.39 -0.49 0.16 0.00 -0.52 0.00 0.00 55.73 55.28 2qb9 s ARG 87 Cb -0.07 -2.41 0.88 0.00 0.52 0.00 0.00 34.95 33.86 2qb9 s ARG 87 CO 0.27 -0.70 1.47 0.36 0.02 0.00 0.00 175.30 176.72 2qb9 n LYS 88 N -2.42 0.10 -0.02 3.54 2.85 -1.26 0.03 118.16 120.98 2qb9 n LYS 88 Ca 0.06 0.59 0.01 0.00 -1.05 0.00 0.00 58.31 57.92 2qb9 n LYS 88 Cb 0.59 -1.91 0.02 0.00 -0.65 0.00 0.00 35.03 33.08 2qb9 n LYS 88 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2qb9 n ASP 89 N -2.07 1.96 -0.00 -5.58 5.68 -1.26 -4.59 116.55 110.68 2qb9 n ASP 89 Ca -0.01 -1.83 0.06 0.00 -0.50 0.00 0.00 54.79 52.51 2qb9 n ASP 89 Cb 0.08 -0.03 -0.08 0.00 -1.14 0.00 0.00 41.12 39.95 2qb9 n ASP 89 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2qb9 n GLU 90 N -0.26 1.22 -1.69 0.11 1.02 0.10 -5.01 120.64 116.13 2qb9 n GLU 90 Ca 0.02 -0.08 -0.62 0.00 -0.02 0.00 0.00 57.16 56.46 2qb9 n GLU 90 Cb 0.23 -1.21 -0.08 0.00 -0.02 0.00 0.00 31.44 30.36 2qb9 n GLU 90 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qb9 n LEU 91 N -1.72 1.43 -4.78 -4.62 4.77 -0.91 -4.78 117.00 106.38 2qb9 n LEU 91 Ca -0.01 1.14 -0.33 0.00 -0.03 0.00 0.00 56.01 56.79 2qb9 n LEU 91 Cb 0.27 -0.99 0.03 0.00 -2.33 0.00 0.00 43.42 40.40 2qb9 n LEU 91 CO 0.24 -0.89 0.74 -2.16 -1.33 0.00 0.00 177.39 173.98 2qb9 s PRO 92 N 2.49 2.99 -0.59 3.23 0.04 -1.26 -5.02 135.00 136.88 2qb9 s PRO 92 Ca 0.99 1.34 -0.07 0.00 0.04 0.00 0.00 61.00 63.30 2qb9 s PRO 92 Cb -1.29 -1.98 0.15 0.00 0.04 0.00 0.00 34.50 31.43 2qb9 s PRO 92 CO 0.70 -1.09 0.45 0.15 0.04 0.00 0.00 177.00 177.25 2qb9 s LYS 93 N -4.06 2.67 0.34 4.56 1.02 -1.26 -4.81 119.74 118.21 2qb9 s LYS 93 Ca 0.66 -2.18 -0.29 0.00 0.02 0.00 0.00 55.97 54.18 2qb9 s LYS 93 Cb -0.19 -3.92 -0.12 0.00 -0.52 0.00 0.00 37.83 33.08 2qb9 s LYS 93 CO 0.39 -1.19 1.45 0.28 -0.92 0.00 0.00 175.35 175.36 2qb9 n VAL 94 N 4.18 1.75 -4.36 3.17 0.31 -1.26 -2.87 118.33 119.24 2qb9 n VAL 94 Ca 0.02 -0.44 -0.34 0.00 -0.01 0.00 0.00 64.34 63.58 2qb9 n VAL 94 Cb 0.41 -1.83 -0.09 0.00 -0.91 0.00 0.00 33.84 31.42 2qb9 n VAL 94 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2qb9 n MET 95 N 0.90 -0.87 -1.00 5.55 0.00 -1.26 0.49 117.12 120.92 2qb9 n MET 95 Ca 0.04 0.10 -0.07 0.00 -0.00 0.00 0.00 57.70 57.78 2qb9 n MET 95 Cb 0.37 -3.87 -0.03 0.00 0.00 0.00 0.00 33.22 29.69 2qb9 n MET 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2qb9 n ALA 96 N -4.40 -0.10 0.00 -5.12 0.00 -1.14 -0.69 120.51 109.06 2qb9 n ALA 96 Ca -0.20 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2qb9 n ALA 96 Cb 0.62 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2qb9 n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qb9 n GLY 97 N 0.19 0.87 0.00 0.00 0.00 0.18 -4.93 105.19 101.51 2qb9 n GLY 97 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.06 2qb9 n GLY 97 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qb9 n LEU 98 N 0.00 0.00 0.00 0.99 4.77 0.13 -4.78 117.00 118.11 2qb9 n LEU 98 Ca 0.00 0.33 -0.28 0.00 -0.03 0.00 0.00 56.01 56.03 2qb9 n LEU 98 Cb 0.00 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.71 2qb9 n LEU 98 CO 0.00 -0.10 -0.15 0.61 -1.33 0.00 0.00 177.39 176.42 2qb9 n GLY 99 N 0.53 3.40 3.11 -0.72 0.00 -0.96 -4.90 105.19 105.65 2qb9 n GLY 99 Ca 0.09 -2.34 -0.15 0.00 0.00 0.00 0.00 46.02 43.62 2qb9 n GLY 99 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2qb9 s ILE 100 N -2.64 0.75 -0.34 -0.61 -4.36 0.24 -4.55 121.20 109.69 2qb9 s ILE 100 Ca 0.07 -1.22 0.03 0.00 -0.26 0.00 0.00 60.65 59.27 2qb9 s ILE 100 Cb -0.01 -0.84 0.10 0.00 1.25 0.00 0.00 42.46 42.96 2qb9 s ILE 100 CO 0.05 -0.36 0.07 0.00 0.24 0.00 0.00 174.94 174.94 2qb9 s ALA 101 N -1.50 2.57 -0.19 2.27 0.00 -1.26 -1.98 121.76 121.68 2qb9 s ALA 101 Ca -0.06 -2.36 -0.29 0.00 0.00 0.00 0.00 51.96 49.26 2qb9 s ALA 101 Cb -0.09 -1.89 -0.05 0.00 0.00 0.00 0.00 23.12 21.09 2qb9 s ALA 101 CO 0.01 -1.70 1.92 0.08 0.00 0.00 0.00 175.76 176.07 2qb9 s VAL 102 N 1.02 3.29 -0.06 0.00 1.01 -1.06 -1.00 120.40 123.61 2qb9 s VAL 102 Ca 0.11 0.32 0.05 0.00 0.00 0.00 0.00 61.98 62.46 2qb9 s VAL 102 Cb -0.19 -3.32 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 2qb9 s VAL 102 CO -0.12 -0.15 -0.21 -0.69 0.00 0.00 0.00 175.10 173.93 2qb9 s VAL 103 N 6.39 1.75 -0.52 2.92 1.01 -0.18 -0.04 120.40 131.73 2qb9 s VAL 103 Ca 0.86 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 61.73 2qb9 s VAL 103 Cb -0.31 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.62 2qb9 s VAL 103 CO 0.34 0.49 0.83 -0.55 0.00 0.00 0.00 175.10 176.22 2qb9 s SER 104 N 0.02 6.32 0.35 3.32 0.15 0.96 -1.92 113.70 122.90 2qb9 s SER 104 Ca -0.06 -0.45 0.07 0.00 0.70 0.00 0.00 55.95 56.21 2qb9 s SER 104 Cb -0.13 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 61.78 2qb9 s SER 104 CO 0.04 -1.09 0.49 0.42 1.20 0.00 0.00 173.24 174.30 2qb9 s THR 105 N 3.50 3.94 -2.00 6.45 -4.23 0.55 -1.58 115.64 122.27 2qb9 s THR 105 Ca 0.26 -0.98 0.08 0.00 -1.18 0.00 0.00 61.69 59.87 2qb9 s THR 105 Cb -0.14 -3.36 0.22 0.00 1.34 0.00 0.00 72.50 70.56 2qb9 s THR 105 CO 0.18 -0.14 0.87 -0.24 -0.54 0.00 0.00 174.62 174.75 2qb9 n SER 106 N -1.68 0.00 -0.02 3.99 2.88 -1.26 -1.15 113.62 116.38 2qb9 n SER 106 Ca 0.01 -0.42 0.01 0.00 -1.33 0.00 0.00 58.87 57.14 2qb9 n SER 106 Cb 0.58 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.06 2qb9 n SER 106 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2qb9 n LYS 107 N -0.86 2.48 0.00 -1.46 4.76 -1.26 -5.11 118.16 116.71 2qb9 n LYS 107 Ca 0.06 -1.54 0.00 0.00 -2.87 0.00 0.00 58.31 53.96 2qb9 n LYS 107 Cb 0.03 -1.01 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 2qb9 n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qb9 n GLY 108 N -0.57 1.38 3.37 0.72 0.00 -0.30 -4.98 105.19 104.82 2qb9 n GLY 108 Ca 0.02 -2.16 -0.45 0.00 0.00 0.00 0.00 46.02 43.44 2qb9 n GLY 108 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qb9 s VAL 109 N -1.24 4.95 0.00 1.61 1.01 -1.26 -0.33 120.40 125.13 2qb9 s VAL 109 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 60.64 2qb9 s VAL 109 Cb 0.00 -4.52 0.00 0.00 0.00 0.00 0.00 36.38 31.86 2qb9 s VAL 109 CO 0.00 -1.16 0.00 1.15 0.00 0.00 0.00 175.10 175.09 2qb9 n MET 110 N 5.94 2.20 -4.04 2.72 0.00 -0.81 -4.82 117.12 118.31 2qb9 n MET 110 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.46 2qb9 n MET 110 Cb 0.44 0.00 -0.04 0.00 0.00 0.00 0.00 33.22 33.62 2qb9 n MET 110 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2qb9 s THR 111 N -0.10 4.82 0.14 3.17 -4.23 -1.26 -1.01 115.64 117.17 2qb9 s THR 111 Ca 0.00 -1.13 -0.28 0.00 -1.18 0.00 0.00 61.69 59.10 2qb9 s THR 111 Cb 0.00 -3.57 -0.04 0.00 1.34 0.00 0.00 72.50 70.23 2qb9 s THR 111 CO 0.00 -0.27 1.58 -2.24 -0.54 0.00 0.00 174.62 173.15 2qb9 h ASP 112 N 1.63 -1.33 -0.28 3.99 2.03 -1.41 0.16 116.42 121.21 2qb9 h ASP 112 Ca -0.49 0.19 0.06 0.00 -0.73 0.00 0.00 57.03 56.05 2qb9 h ASP 112 Cb 1.22 0.56 -0.08 0.00 -0.83 0.00 0.00 39.33 40.20 2qb9 h ASP 112 CO 0.62 -0.40 -0.34 -0.09 -1.03 0.00 0.00 179.24 178.00 2qb9 h ARG 113 N -0.44 -0.32 0.83 4.15 1.12 -1.89 0.44 114.38 118.28 2qb9 h ARG 113 Ca 0.10 0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.95 2qb9 h ARG 113 Cb 0.61 0.07 -0.00 0.00 -0.01 0.00 0.00 29.97 30.64 2qb9 h ARG 113 CO -0.45 -0.21 -0.48 0.00 -3.11 0.00 0.00 179.97 175.72 2qb9 h ALA 114 N 0.55 -1.25 -0.58 2.80 0.00 -1.85 -2.65 119.26 116.28 2qb9 h ALA 114 Ca 0.13 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.90 2qb9 h ALA 114 Cb 0.55 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 2qb9 h ALA 114 CO -0.46 -1.22 0.07 0.00 0.00 0.00 0.00 179.25 177.64 2qb9 h ALA 115 N -1.14 0.64 -0.14 0.00 0.00 -0.44 -1.56 119.26 116.62 2qb9 h ALA 115 Ca -0.11 0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2qb9 h ALA 115 Cb 0.96 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 2qb9 h ALA 115 CO 0.14 -0.35 -0.46 -0.09 0.00 0.00 0.00 179.25 178.49 2qb9 h ARG 116 N 0.19 -0.50 -0.38 0.00 2.43 0.00 -1.89 114.38 114.24 2qb9 h ARG 116 Ca 0.30 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.54 2qb9 h ARG 116 Cb 0.46 0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.09 2qb9 h ARG 116 CO -0.43 -0.33 0.17 1.96 -1.51 0.00 0.00 179.97 179.82 2qb9 h GLN 117 N -0.52 0.34 -0.11 0.20 4.20 -1.09 -0.40 115.11 117.74 2qb9 h GLN 117 Ca 0.07 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.79 2qb9 h GLN 117 Cb 0.65 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 2qb9 h GLN 117 CO -0.42 0.23 0.38 0.00 -0.67 0.00 0.00 178.83 178.35 2qb9 h ALA 118 N 1.22 1.55 0.00 3.87 0.00 -0.65 -3.45 119.26 121.80 2qb9 h ALA 118 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2qb9 h ALA 118 Cb 0.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2qb9 h ALA 118 CO -0.14 -0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.09 2qb9 n GLY 119 N -1.30 0.63 3.12 0.00 0.00 -0.16 -5.07 105.19 102.42 2qb9 n GLY 119 Ca 0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 2qb9 n GLY 119 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qb9 s LEU 120 N 0.00 2.06 0.55 0.99 2.34 -1.07 -4.91 118.68 118.63 2qb9 s LEU 120 Ca 0.00 -0.30 0.08 0.00 0.06 0.00 0.00 54.13 53.97 2qb9 s LEU 120 Cb 0.00 -0.71 0.06 0.00 -0.56 0.00 0.00 46.19 44.99 2qb9 s LEU 120 CO 0.00 0.15 0.64 -0.83 -1.06 0.00 0.00 176.35 175.24 2qb9 s GLY 121 N -0.51 1.97 0.00 -3.48 0.00 -1.26 -4.26 107.32 99.78 2qb9 s GLY 121 Ca 0.05 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.95 2qb9 s GLY 121 CO -0.00 -1.76 0.00 0.61 0.00 0.00 0.00 173.10 171.94 2qb9 n GLY 122 N -2.04 0.87 3.63 0.20 0.00 -1.19 -4.28 105.19 102.38 2qb9 n GLY 122 Ca 0.09 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 2qb9 n GLY 122 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qb9 s GLU 123 N -0.80 4.09 1.26 1.61 2.12 -0.62 -2.06 118.70 124.32 2qb9 s GLU 123 Ca 0.00 0.24 -0.16 0.00 0.36 0.00 0.00 54.97 55.41 2qb9 s GLU 123 Cb 0.00 -3.62 0.30 0.00 0.26 0.00 0.00 34.13 31.08 2qb9 s GLU 123 CO 0.00 -0.25 0.85 -0.89 -0.54 0.00 0.00 175.26 174.44 2qb9 n ILE 124 N 4.91 0.00 0.00 -3.70 5.41 -1.13 -0.03 119.36 124.82 2qb9 n ILE 124 Ca -0.06 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.35 2qb9 n ILE 124 Cb 0.50 -0.94 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 2qb9 n ILE 124 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2qb9 n ILE 125 N -5.20 0.00 -3.62 1.39 5.41 0.94 -4.26 119.36 114.03 2qb9 n ILE 125 Ca 0.05 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.77 2qb9 n ILE 125 Cb 0.56 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.48 2qb9 n ILE 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qb9 n TYR 127 N -0.34 3.49 -2.52 0.00 4.01 -0.72 -2.56 117.16 118.53 2qb9 n TYR 127 Ca -0.06 -4.22 -0.43 0.00 -0.16 0.00 0.00 57.90 53.04 2qb9 n TYR 127 Cb 0.61 -0.61 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 2qb9 n TYR 127 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2qb9 s VAL 128 N -2.03 4.07 -2.74 -0.72 1.01 -0.84 -4.20 120.40 114.96 2qb9 s VAL 128 Ca 0.33 1.06 0.26 0.00 0.00 0.00 0.00 61.98 63.63 2qb9 s VAL 128 Cb 0.06 -4.52 0.38 0.00 0.00 0.00 0.00 36.38 32.29 2qb9 s VAL 128 CO -0.08 -1.03 1.51 0.00 0.00 0.00 0.00 175.10 175.50