#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbj n GLN 2 N 0.00 0.41 -2.23 1.61 3.00 -1.26 -5.11 117.38 113.80 2qbj n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2qbj n GLN 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2qbj n GLN 2 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2qbj n LYS 3 N 0.00 -5.59 -3.01 -1.09 5.02 -1.26 -4.96 118.16 107.27 2qbj n LYS 3 Ca 0.00 3.98 -0.33 0.00 -2.02 0.00 0.00 58.31 59.93 2qbj n LYS 3 Cb 0.00 -4.57 -0.06 0.00 -0.02 0.00 0.00 35.03 30.38 2qbj n LYS 3 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbj s VAL 4 N -0.56 4.54 -0.29 -0.18 0.11 -1.26 -4.95 120.40 117.81 2qbj s VAL 4 Ca 0.00 1.21 -0.32 0.00 -2.93 0.00 0.00 61.98 59.94 2qbj s VAL 4 Cb 0.00 -3.65 -0.09 0.00 -1.53 0.00 0.00 36.38 31.11 2qbj s VAL 4 CO 0.00 -0.17 2.20 1.57 -3.33 0.00 0.00 175.10 175.36 2qbj n HIS 5 N -0.30 1.76 0.14 1.54 -0.00 -1.26 -4.82 115.22 112.29 2qbj n HIS 5 Ca 0.04 0.11 0.14 0.00 0.46 0.00 0.00 57.72 58.47 2qbj n HIS 5 Cb 0.53 -2.61 0.68 0.00 -0.12 0.00 0.00 29.99 28.47 2qbj n HIS 5 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2qbj h PRO 6 N 13.37 0.00 0.15 1.57 0.13 -1.93 0.57 132.00 145.86 2qbj h PRO 6 Ca -0.33 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.49 2qbj h PRO 6 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 2qbj h PRO 6 CO 0.99 0.00 -1.50 -0.97 -0.23 0.00 0.00 178.00 176.29 2qbj h ASN 7 N 0.00 0.51 -0.15 1.44 -1.24 -1.87 -3.20 115.58 111.06 2qbj h ASN 7 Ca 0.12 -0.64 -0.07 0.00 0.71 0.00 0.00 56.30 56.41 2qbj h ASN 7 Cb 0.49 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.37 2qbj h ASN 7 CO -0.00 1.53 -0.19 1.23 -1.29 0.00 0.00 177.43 178.71 2qbj h GLY 8 N 1.27 0.43 2.00 1.57 0.00 -1.78 -2.73 103.07 103.83 2qbj h GLY 8 Ca -0.24 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.63 2qbj h GLY 8 CO 0.19 0.42 0.00 4.51 0.00 0.00 0.00 176.54 181.66 2qbj n ILE 9 N -4.50 1.05 -0.93 2.60 0.13 0.13 -1.25 119.36 116.59 2qbj n ILE 9 Ca -0.06 0.50 0.08 0.00 -1.10 0.00 0.00 62.75 62.17 2qbj n ILE 9 Cb 0.40 -1.46 0.28 0.00 -0.84 0.00 0.00 39.64 38.02 2qbj n ILE 9 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 2qbj n ARG 10 N -2.13 3.21 0.22 9.51 1.74 -1.05 -4.58 116.66 123.57 2qbj n ARG 10 Ca 0.00 -2.84 0.15 0.00 -0.77 0.00 0.00 57.85 54.40 2qbj n ARG 10 Cb 0.11 -1.87 0.69 0.00 -1.02 0.00 0.00 32.46 30.37 2qbj n ARG 10 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2qbj h LEU 11 N 2.16 0.00 0.03 0.55 3.38 -0.92 -2.89 115.31 117.62 2qbj h LEU 11 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2qbj h LEU 11 Cb 1.47 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.18 2qbj h LEU 11 CO 0.25 0.00 -1.69 1.23 0.09 0.00 0.00 178.44 178.31 2qbj h GLY 12 N 1.51 0.06 -2.78 0.83 0.00 -1.81 -3.44 103.07 97.45 2qbj h GLY 12 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 2qbj h GLY 12 CO 0.00 0.14 -0.49 -0.26 0.00 0.00 0.00 176.54 175.94 2qbj s ILE 13 N -2.60 0.07 0.00 2.60 -0.00 -1.10 -4.88 121.20 115.30 2qbj s ILE 13 Ca -0.07 -1.68 0.00 0.00 -0.00 0.00 0.00 60.65 58.90 2qbj s ILE 13 Cb 0.08 -2.00 0.00 0.00 -0.00 0.00 0.00 42.46 40.54 2qbj s ILE 13 CO 0.82 -0.34 0.00 1.33 -0.00 0.00 0.00 174.94 176.75 2qbj n VAL 14 N -0.17 0.00 -3.78 8.37 0.24 -1.26 -4.73 118.33 117.00 2qbj n VAL 14 Ca -0.06 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.03 2qbj n VAL 14 Cb 0.63 -0.03 -0.17 0.00 -1.47 0.00 0.00 33.84 32.80 2qbj n VAL 14 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2qbj s LYS 15 N -0.06 0.48 0.40 7.34 3.01 -1.19 -4.75 119.74 124.98 2qbj s LYS 15 Ca 0.00 0.14 -0.19 0.00 -1.01 0.00 0.00 55.97 54.91 2qbj s LYS 15 Cb 0.00 -0.86 -0.10 0.00 -1.01 0.00 0.00 37.83 35.86 2qbj s LYS 15 CO 0.00 -0.29 0.88 -1.25 0.51 0.00 0.00 175.35 175.21 2qbj s PRO 16 N 1.90 4.15 1.27 -1.68 0.04 -1.26 -4.50 135.00 134.91 2qbj s PRO 16 Ca 0.03 0.98 -0.21 0.00 0.04 0.00 0.00 61.00 61.84 2qbj s PRO 16 Cb -0.12 -2.26 0.31 0.00 0.04 0.00 0.00 34.50 32.47 2qbj s PRO 16 CO -0.04 0.02 1.07 -1.58 0.04 0.00 0.00 177.00 176.51 2qbj s TRP 17 N -2.13 0.07 0.00 0.56 0.51 -1.26 -5.01 118.94 111.67 2qbj s TRP 17 Ca 0.59 0.46 0.00 0.00 -2.12 0.00 0.00 56.10 55.03 2qbj s TRP 17 Cb -0.09 -3.36 0.00 0.00 -0.81 0.00 0.00 33.47 29.21 2qbj s TRP 17 CO 0.15 -4.22 0.14 0.09 -0.51 0.00 0.00 176.95 172.61 2qbj n ASN 18 N -5.01 0.29 -3.01 2.95 4.13 -1.26 -4.83 115.26 108.52 2qbj n ASN 18 Ca 0.14 -0.62 -0.15 0.00 1.68 0.00 0.00 54.58 55.63 2qbj n ASN 18 Cb 0.60 0.57 0.01 0.00 -1.54 0.00 0.00 39.78 39.41 2qbj n ASN 18 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2qbj n SER 19 N -0.57 -0.54 -4.58 6.41 7.64 -1.26 -0.43 113.62 120.29 2qbj n SER 19 Ca 0.00 -3.20 -0.43 0.00 1.01 0.00 0.00 58.87 56.26 2qbj n SER 19 Cb 0.01 0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 2qbj n SER 19 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2qbj s THR 20 N -1.18 4.13 -0.29 0.44 -1.32 -1.25 -4.95 115.64 111.22 2qbj s THR 20 Ca 0.33 0.87 -0.24 0.00 -1.21 0.00 0.00 61.69 61.44 2qbj s THR 20 Cb 0.30 -4.66 0.14 0.00 -1.51 0.00 0.00 72.50 66.77 2qbj s THR 20 CO -0.09 -1.22 1.13 -1.66 -2.21 0.00 0.00 174.62 170.57 2qbj s TRP 21 N 4.65 -0.37 0.40 9.09 1.48 -1.26 -4.35 118.94 128.58 2qbj s TRP 21 Ca 0.42 0.90 -0.18 0.00 -1.06 0.00 0.00 56.10 56.17 2qbj s TRP 21 Cb -0.08 0.39 -0.10 0.00 -1.16 0.00 0.00 33.47 32.51 2qbj s TRP 21 CO 0.26 -0.18 0.88 0.12 -4.06 0.00 0.00 176.95 173.97 2qbj s PHE 22 N 0.26 3.34 -0.29 1.66 5.36 -1.26 -5.01 117.98 122.04 2qbj s PHE 22 Ca 0.03 1.46 -0.16 0.00 -0.96 0.00 0.00 56.93 57.31 2qbj s PHE 22 Cb -0.05 -2.74 0.14 0.00 -0.34 0.00 0.00 43.02 40.03 2qbj s PHE 22 CO -0.09 -0.07 0.94 0.00 -1.46 0.00 0.00 175.22 174.53 2qbj s ALA 23 N -2.17 -2.30 0.54 11.12 0.00 -1.26 -5.05 121.76 122.64 2qbj s ALA 23 Ca 0.59 2.21 -0.20 0.00 0.00 0.00 0.00 51.96 54.55 2qbj s ALA 23 Cb -0.09 -1.75 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 2qbj s ALA 23 CO 0.16 -0.48 1.21 -0.80 0.00 0.00 0.00 175.76 175.85 2qbj s ASN 24 N 1.64 5.56 0.53 0.00 -0.87 -1.26 -4.69 114.94 115.84 2qbj s ASN 24 Ca -0.08 2.39 0.44 0.00 -1.57 0.00 0.00 52.86 54.04 2qbj s ASN 24 Cb -0.05 -2.60 1.65 0.00 -0.02 0.00 0.00 41.25 40.23 2qbj s ASN 24 CO -0.16 -1.34 1.60 0.74 -2.57 0.00 0.00 177.10 175.37 2qbj h THR 25 N 1.30 0.06 0.39 1.60 2.02 -2.01 -2.08 112.91 114.19 2qbj h THR 25 Ca -0.50 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 2qbj h THR 25 Cb 1.28 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.71 2qbj h THR 25 CO 0.57 0.00 -0.49 0.07 0.37 0.00 0.00 175.52 176.04 2qbj h LYS 26 N 0.01 -0.87 -0.02 6.66 2.10 -2.05 -3.27 116.57 119.12 2qbj h LYS 26 Ca 0.88 0.06 0.00 0.00 -2.00 0.00 0.00 60.65 59.59 2qbj h LYS 26 Cb 3.35 0.20 0.00 0.00 -0.90 0.00 0.00 32.23 34.88 2qbj h LYS 26 CO -0.13 -0.58 -0.09 -0.85 -2.00 0.00 0.00 179.45 175.80 2qbj n GLU 27 N -5.37 1.88 -0.04 0.07 -0.00 -0.98 -4.54 120.64 111.66 2qbj n GLU 27 Ca -0.11 -1.62 -0.10 0.00 -0.00 0.00 0.00 57.16 55.34 2qbj n GLU 27 Cb 0.43 -1.42 -0.04 0.00 -0.00 0.00 0.00 31.44 30.42 2qbj n GLU 27 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 2qbj h PHE 28 N 3.84 -0.95 -0.80 -1.84 -0.00 -1.44 0.55 116.94 116.30 2qbj h PHE 28 Ca 0.00 0.05 0.19 0.00 -0.00 0.00 0.00 57.97 58.21 2qbj h PHE 28 Cb 0.86 0.45 -0.14 0.00 -0.00 0.00 0.00 35.95 37.12 2qbj h PHE 28 CO 0.00 -0.41 0.05 0.00 -0.00 0.00 0.00 178.31 177.96 2qbj h ALA 29 N 0.49 0.92 -0.14 2.41 0.00 -1.80 -0.18 119.26 120.95 2qbj h ALA 29 Ca 0.12 0.25 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 2qbj h ALA 29 Cb 0.56 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 2qbj h ALA 29 CO -0.43 -0.44 -0.11 -0.44 0.00 0.00 0.00 179.25 177.83 2qbj h ASP 30 N 0.12 0.34 -1.01 0.00 3.45 -1.36 -3.21 116.42 114.74 2qbj h ASP 30 Ca 0.46 -0.46 0.24 0.00 0.43 0.00 0.00 57.03 57.70 2qbj h ASP 30 Cb 0.84 -0.09 -0.10 0.00 -0.56 0.00 0.00 39.33 39.42 2qbj h ASP 30 CO -0.69 0.73 0.64 0.78 -1.57 0.00 0.00 179.24 179.13 2qbj h ASN 31 N -0.05 0.56 -0.66 6.45 4.21 0.18 0.96 115.58 127.23 2qbj h ASN 31 Ca 0.02 0.10 -0.05 0.00 1.21 0.00 0.00 56.30 57.58 2qbj h ASN 31 Cb 0.62 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.80 2qbj h ASN 31 CO 0.03 0.13 0.23 -0.07 -1.29 0.00 0.00 177.43 176.46 2qbj h LEU 32 N 0.51 0.94 -0.22 1.61 3.38 -1.35 -2.38 115.31 117.80 2qbj h LEU 32 Ca 0.60 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.43 2qbj h LEU 32 Cb 1.30 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.74 2qbj h LEU 32 CO -0.35 0.88 -0.32 -0.78 0.09 0.00 0.00 178.44 177.96 2qbj h ASP 33 N 0.95 -1.02 -0.36 -0.43 -0.00 -0.87 0.82 116.42 115.51 2qbj h ASP 33 Ca 0.22 0.16 0.05 0.00 -0.00 0.00 0.00 57.03 57.45 2qbj h ASP 33 Cb 0.26 0.45 -0.04 0.00 -0.00 0.00 0.00 39.33 40.00 2qbj h ASP 33 CO -0.01 -0.34 0.10 0.77 -0.00 0.00 0.00 179.24 179.75 2qbj h SER 34 N -0.35 0.07 -1.03 2.28 4.64 -1.41 0.48 113.55 118.23 2qbj h SER 34 Ca 0.12 0.05 0.26 0.00 -0.47 0.00 0.00 61.79 61.75 2qbj h SER 34 Cb 0.54 0.05 -0.09 0.00 -0.31 0.00 0.00 62.40 62.59 2qbj h SER 34 CO -0.41 0.08 0.67 0.44 -0.87 0.00 0.00 176.83 176.74 2qbj h ASP 35 N 0.23 0.42 0.07 4.97 5.19 -0.66 -0.35 116.42 126.31 2qbj h ASP 35 Ca 0.17 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.65 2qbj h ASP 35 Cb 0.16 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.68 2qbj h ASP 35 CO -0.19 0.09 -0.04 0.15 -3.12 0.00 0.00 179.24 176.13 2qbj h PHE 36 N 0.38 -0.09 -0.62 4.55 3.57 0.16 -3.16 116.94 121.72 2qbj h PHE 36 Ca 0.58 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 62.21 2qbj h PHE 36 Cb 1.51 0.03 -0.10 0.00 2.79 0.00 0.00 35.95 40.19 2qbj h PHE 36 CO -0.00 0.38 0.08 0.87 -2.23 0.00 0.00 178.31 177.40 2qbj h LYS 37 N -0.95 0.19 -0.06 1.11 1.57 0.76 -2.33 116.57 116.85 2qbj h LYS 37 Ca -0.01 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2qbj h LYS 37 Cb 0.51 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2qbj h LYS 37 CO 0.02 0.12 0.03 -0.39 -0.57 0.00 0.00 179.45 178.66 2qbj h VAL 38 N 0.19 1.12 0.07 0.50 -1.51 -1.25 -2.32 116.25 113.04 2qbj h VAL 38 Ca 0.33 -0.34 0.02 0.00 -1.23 0.00 0.00 66.70 65.49 2qbj h VAL 38 Cb 0.52 1.22 -0.05 0.00 -2.13 0.00 0.00 31.29 30.86 2qbj h VAL 38 CO -0.47 0.10 -0.37 0.03 -1.23 0.00 0.00 177.57 175.62 2qbj h ARG 39 N -0.03 -0.55 0.11 5.19 3.08 -1.40 0.97 114.38 121.76 2qbj h ARG 39 Ca 0.02 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2qbj h ARG 39 Cb 0.13 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2qbj h ARG 39 CO -0.00 -0.37 -0.05 -0.56 -1.07 0.00 0.00 179.97 177.91 2qbj h GLN 40 N -0.57 -0.15 -0.36 0.04 3.07 -1.49 0.31 115.11 115.95 2qbj h GLN 40 Ca 0.04 0.01 0.08 0.00 0.09 0.00 0.00 58.65 58.86 2qbj h GLN 40 Cb 0.63 0.03 -0.08 0.00 0.08 0.00 0.00 27.48 28.14 2qbj h GLN 40 CO -0.25 -0.08 -0.14 -0.92 0.09 0.00 0.00 178.83 177.53 2qbj h TYR 41 N -0.17 -0.32 -0.52 0.06 5.03 -1.27 -0.31 116.97 119.46 2qbj h TYR 41 Ca -0.02 0.04 0.06 0.00 2.58 0.00 0.00 58.73 61.39 2qbj h TYR 41 Cb 0.13 0.20 -0.05 0.00 1.55 0.00 0.00 36.73 38.56 2qbj h TYR 41 CO -0.07 -0.21 0.23 -0.07 -1.32 0.00 0.00 178.16 176.72 2qbj h LEU 42 N -0.06 0.28 -0.22 2.82 -0.00 -0.55 -2.19 115.31 115.39 2qbj h LEU 42 Ca 0.18 0.05 0.06 0.00 -0.00 0.00 0.00 57.88 58.16 2qbj h LEU 42 Cb 0.34 0.01 -0.07 0.00 -0.00 0.00 0.00 40.66 40.93 2qbj h LEU 42 CO -0.41 0.19 -0.37 0.74 -0.00 0.00 0.00 178.44 178.59 2qbj h THR 43 N 0.43 0.20 0.67 0.22 2.02 0.78 0.34 112.91 117.58 2qbj h THR 43 Ca 0.24 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.40 2qbj h THR 43 Cb 0.22 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2qbj h THR 43 CO -0.21 0.00 -0.49 0.11 0.37 0.00 0.00 175.52 175.30 2qbj h LYS 44 N -0.39 -1.07 -0.38 6.66 1.57 -1.05 -0.45 116.57 121.46 2qbj h LYS 44 Ca 0.11 0.07 0.11 0.00 -1.87 0.00 0.00 60.65 59.07 2qbj h LYS 44 Cb 0.58 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 2qbj h LYS 44 CO -0.43 -0.71 0.45 0.93 -0.57 0.00 0.00 179.45 179.12 2qbj h GLU 45 N -1.11 0.00 -0.87 3.15 5.08 -1.14 0.11 114.58 119.80 2qbj h GLU 45 Ca -0.09 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.69 2qbj h GLU 45 Cb 0.91 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.77 2qbj h GLU 45 CO 0.04 0.00 -0.42 1.28 -1.00 0.00 0.00 179.01 178.90 2qbj n LEU 46 N -3.62 5.55 0.00 1.33 7.99 0.12 -4.89 117.00 123.47 2qbj n LEU 46 Ca 0.07 -4.68 0.00 0.00 -0.01 0.00 0.00 56.01 51.39 2qbj n LEU 46 Cb 0.62 -0.49 0.00 0.00 -0.11 0.00 0.00 43.42 43.44 2qbj n LEU 46 CO 0.26 1.98 0.25 0.00 -1.51 0.00 0.00 177.39 178.36 2qbj n ALA 47 N -0.74 0.00 0.86 -1.18 0.00 0.39 -2.44 120.51 117.40 2qbj n ALA 47 Ca 0.48 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.98 2qbj n ALA 47 Cb 0.87 0.09 0.37 0.00 0.00 0.00 0.00 19.45 20.78 2qbj n ALA 47 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qbj n LYS 48 N -0.67 0.43 0.32 0.00 0.00 -1.26 -2.91 118.16 114.07 2qbj n LYS 48 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 58.31 58.52 2qbj n LYS 48 Cb 0.00 -1.45 1.08 0.00 -0.00 0.00 0.00 35.03 34.67 2qbj n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qbj h ALA 49 N 2.75 1.00 -5.36 0.58 0.00 -1.83 -3.47 119.26 112.94 2qbj h ALA 49 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 2qbj h ALA 49 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 17.79 17.95 2qbj h ALA 49 CO 0.00 0.00 -0.73 0.43 0.00 0.00 0.00 179.25 178.95 2qbj n SER 50 N -3.02 -2.99 -4.86 0.00 7.64 -1.14 -3.19 113.62 106.05 2qbj n SER 50 Ca -0.02 -0.59 -0.31 0.00 1.01 0.00 0.00 58.87 58.95 2qbj n SER 50 Cb 0.11 -4.81 -0.05 0.00 -1.01 0.00 0.00 64.21 58.46 2qbj n SER 50 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qbj s VAL 51 N -3.34 4.74 0.01 0.44 0.11 -1.26 -1.31 120.40 119.79 2qbj s VAL 51 Ca 0.10 0.78 -0.03 0.00 -2.93 0.00 0.00 61.98 59.90 2qbj s VAL 51 Cb -0.01 -3.66 -0.01 0.00 -1.53 0.00 0.00 36.38 31.16 2qbj s VAL 51 CO 0.68 -0.32 -0.06 -1.54 -3.33 0.00 0.00 175.10 170.53 2qbj n SER 52 N -0.74 0.87 -3.84 3.54 3.41 -0.72 -4.72 113.62 111.41 2qbj n SER 52 Ca 0.03 0.12 -0.18 0.00 -0.26 0.00 0.00 58.87 58.59 2qbj n SER 52 Cb 0.53 -0.29 -0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2qbj n SER 52 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2qbj n ARG 53 N -3.47 0.98 -2.65 4.33 0.63 -1.21 -4.83 116.66 110.44 2qbj n ARG 53 Ca -0.05 -2.27 -0.04 0.00 -0.92 0.00 0.00 57.85 54.57 2qbj n ARG 53 Cb 0.28 0.28 0.08 0.00 0.45 0.00 0.00 32.46 33.56 2qbj n ARG 53 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 2qbj n ILE 54 N -1.29 0.00 -0.71 5.15 3.06 -1.26 -3.36 119.36 120.95 2qbj n ILE 54 Ca -0.03 -0.51 -0.32 0.00 -2.50 0.00 0.00 62.75 59.40 2qbj n ILE 54 Cb 0.41 1.00 0.16 0.00 0.54 0.00 0.00 39.64 41.75 2qbj n ILE 54 CO 0.00 0.00 0.00 0.52 -2.50 0.00 0.00 176.55 174.57 2qbj n VAL 55 N 1.41 0.00 -3.41 9.51 0.31 -0.77 -4.82 118.33 120.56 2qbj n VAL 55 Ca -0.01 -0.18 -0.19 0.00 -0.01 0.00 0.00 64.34 63.95 2qbj n VAL 55 Cb 0.72 -0.76 -0.10 0.00 -0.91 0.00 0.00 33.84 32.79 2qbj n VAL 55 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2qbj s ILE 56 N -2.44 -0.30 -0.09 2.52 1.01 0.42 -2.63 121.20 119.70 2qbj s ILE 56 Ca 0.61 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 60.33 2qbj s ILE 56 Cb -0.21 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 2qbj s ILE 56 CO 0.64 -0.58 0.42 -1.61 0.00 0.00 0.00 174.94 173.82 2qbj s GLU 57 N 1.96 4.21 -0.65 2.79 2.02 -1.26 -3.95 118.70 123.81 2qbj s GLU 57 Ca 0.12 0.38 0.05 0.00 0.02 0.00 0.00 54.97 55.54 2qbj s GLU 57 Cb -0.15 -3.37 0.16 0.00 0.10 0.00 0.00 34.13 30.86 2qbj s GLU 57 CO -0.22 0.33 0.43 1.03 0.02 0.00 0.00 175.26 176.84 2qbj s ARG 58 N 0.09 2.31 0.00 1.61 0.52 -1.26 0.66 118.95 122.89 2qbj s ARG 58 Ca 0.24 -3.13 0.00 0.00 -0.52 0.00 0.00 55.73 52.31 2qbj s ARG 58 Cb -0.15 -3.38 0.00 0.00 0.52 0.00 0.00 34.95 31.94 2qbj s ARG 58 CO 0.10 -1.24 0.00 -0.35 0.02 0.00 0.00 175.30 173.83 2qbj n PRO 59 N 2.30 3.22 -1.86 3.54 -0.04 -0.99 -4.75 135.00 136.42 2qbj n PRO 59 Ca 0.16 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.33 2qbj n PRO 59 Cb 0.34 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.76 2qbj n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qbj s ALA 60 N -3.28 1.56 -1.41 0.55 0.00 -1.26 -3.37 121.76 114.56 2qbj s ALA 60 Ca 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 51.96 50.98 2qbj s ALA 60 Cb 0.00 -4.47 0.05 0.00 0.00 0.00 0.00 23.12 18.71 2qbj s ALA 60 CO 0.00 -4.79 0.61 1.63 0.00 0.00 0.00 175.76 173.21 2qbj n LYS 61 N 8.96 -4.23 -4.15 0.00 4.76 -1.26 -4.95 118.16 117.29 2qbj n LYS 61 Ca 0.36 0.63 -0.14 0.00 -2.87 0.00 0.00 58.31 56.30 2qbj n LYS 61 Cb 0.49 -5.42 -0.07 0.00 -1.84 0.00 0.00 35.03 28.18 2qbj n LYS 61 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2qbj s SER 62 N -2.80 0.61 0.02 4.39 1.04 -1.22 -3.55 113.70 112.20 2qbj s SER 62 Ca 0.41 -1.40 -0.01 0.00 0.48 0.00 0.00 55.95 55.43 2qbj s SER 62 Cb -0.20 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 2qbj s SER 62 CO 0.51 -1.06 -0.02 -0.63 0.98 0.00 0.00 173.24 173.01 2qbj s ILE 63 N -3.70 0.13 -0.21 -1.02 1.01 -1.23 -2.36 121.20 113.82 2qbj s ILE 63 Ca 0.34 -1.05 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 2qbj s ILE 63 Cb 0.03 -0.48 -0.19 0.00 0.01 0.00 0.00 42.46 41.82 2qbj s ILE 63 CO 0.17 -0.58 0.05 -1.14 0.00 0.00 0.00 174.94 173.44 2qbj n ARG 64 N 1.33 0.63 -3.83 2.79 3.00 0.21 -1.38 116.66 119.41 2qbj n ARG 64 Ca -0.22 0.36 -0.24 0.00 -0.00 0.00 0.00 57.85 57.75 2qbj n ARG 64 Cb 0.56 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.38 2qbj n ARG 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2qbj n VAL 65 N -3.98 -3.83 -2.27 5.15 0.31 -1.25 -3.09 118.33 109.37 2qbj n VAL 65 Ca -0.40 -0.53 -0.43 0.00 -0.01 0.00 0.00 64.34 62.98 2qbj n VAL 65 Cb 0.87 -3.23 -0.02 0.00 -0.91 0.00 0.00 33.84 30.55 2qbj n VAL 65 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2qbj s THR 66 N -3.81 3.96 -0.01 2.52 2.01 -1.08 -3.92 115.64 115.30 2qbj s THR 66 Ca 0.03 1.11 -0.12 0.00 0.31 0.00 0.00 61.69 63.02 2qbj s THR 66 Cb -0.01 -3.90 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 2qbj s THR 66 CO 0.86 -0.30 0.34 -0.63 -0.69 0.00 0.00 174.62 174.20 2qbj s ILE 67 N 4.43 5.16 -0.72 1.82 1.01 -0.28 -1.84 121.20 130.79 2qbj s ILE 67 Ca 0.63 0.60 0.04 0.00 0.00 0.00 0.00 60.65 61.92 2qbj s ILE 67 Cb -0.22 -3.62 0.23 0.00 0.01 0.00 0.00 42.46 38.85 2qbj s ILE 67 CO 0.24 0.53 0.74 1.41 0.00 0.00 0.00 174.94 177.87 2qbj n HIS 68 N 1.68 3.50 -3.92 3.97 8.25 -1.21 -0.40 115.22 127.09 2qbj n HIS 68 Ca -0.14 -4.07 -0.28 0.00 -0.26 0.00 0.00 57.72 52.96 2qbj n HIS 68 Cb 0.53 -0.70 -0.03 0.00 1.12 0.00 0.00 29.99 30.91 2qbj n HIS 68 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 2qbj s THR 69 N -2.12 5.34 0.15 1.59 -1.32 -1.19 -1.75 115.64 116.34 2qbj s THR 69 Ca 0.34 -0.54 0.05 0.00 -1.21 0.00 0.00 61.69 60.33 2qbj s THR 69 Cb 0.07 -3.69 -0.18 0.00 -1.51 0.00 0.00 72.50 67.19 2qbj s THR 69 CO -0.06 0.00 1.34 0.00 -2.21 0.00 0.00 174.62 173.69 2qbj h ALA 70 N 2.53 0.46 -2.83 11.08 0.00 -1.37 -3.38 119.26 125.76 2qbj h ALA 70 Ca -0.47 -0.81 -0.71 0.00 0.00 0.00 0.00 54.91 52.92 2qbj h ALA 70 Cb 1.18 -0.11 -0.35 0.00 0.00 0.00 0.00 17.79 18.50 2qbj h ALA 70 CO 0.72 1.07 -0.07 0.54 0.00 0.00 0.00 179.25 181.50 2qbj n ARG 71 N -3.51 2.67 -0.06 0.00 1.74 -1.19 -4.81 116.66 111.50 2qbj n ARG 71 Ca -0.02 -4.48 -0.12 0.00 -0.77 0.00 0.00 57.85 52.46 2qbj n ARG 71 Cb 0.87 -2.41 -0.05 0.00 -1.02 0.00 0.00 32.46 29.84 2qbj n ARG 71 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2qbj h PRO 72 N 5.98 0.32 -0.68 5.56 0.13 -1.86 -3.10 132.00 138.34 2qbj h PRO 72 Ca 0.16 -0.10 0.13 0.00 -0.87 0.00 0.00 66.00 65.32 2qbj h PRO 72 Cb 0.81 -0.03 -0.13 0.00 0.13 0.00 0.00 31.00 31.78 2qbj h PRO 72 CO 0.87 0.52 -0.27 0.78 -0.23 0.00 0.00 178.00 179.67 2qbj h GLY 73 N 0.08 0.21 1.88 1.56 0.00 -1.97 0.35 103.07 105.18 2qbj h GLY 73 Ca 0.05 0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.68 2qbj h GLY 73 CO 0.01 -0.24 -0.18 1.19 0.00 0.00 0.00 176.54 177.32 2qbj h ILE 74 N -0.08 1.18 0.00 2.60 2.10 -1.92 0.13 117.51 121.52 2qbj h ILE 74 Ca 0.30 -0.80 -0.10 0.00 1.08 0.00 0.00 64.86 65.33 2qbj h ILE 74 Cb 0.55 1.31 -0.01 0.00 -1.09 0.00 0.00 36.82 37.57 2qbj h ILE 74 CO -0.73 0.24 -0.48 0.58 -1.08 0.00 0.00 178.15 176.68 2qbj h VAL 75 N 0.14 1.04 0.19 2.19 2.07 -0.43 -3.21 116.25 118.23 2qbj h VAL 75 Ca 0.03 -1.85 -0.31 0.00 0.82 0.00 0.00 66.70 65.38 2qbj h VAL 75 Cb 0.40 2.10 0.02 0.00 -1.52 0.00 0.00 31.29 32.28 2qbj h VAL 75 CO 0.03 0.47 -1.50 0.40 0.02 0.00 0.00 177.57 176.99 2qbj h ILE 76 N 0.00 1.12 -0.30 4.57 1.08 0.44 -2.85 117.51 121.58 2qbj h ILE 76 Ca -0.00 -2.54 0.00 0.00 -0.39 0.00 0.00 64.86 61.92 2qbj h ILE 76 Cb 1.06 2.89 0.00 0.00 -3.07 0.00 0.00 36.82 37.70 2qbj h ILE 76 CO 0.06 0.80 0.00 0.61 -0.69 0.00 0.00 178.15 178.93 2qbj n GLY 77 N 1.78 -1.45 3.57 5.37 0.00 0.38 -0.89 105.19 113.95 2qbj n GLY 77 Ca -0.21 -1.28 -0.40 0.00 0.00 0.00 0.00 46.02 44.13 2qbj n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qbj s LYS 78 N 0.00 2.86 -1.37 1.61 -2.85 -1.26 -3.31 119.74 115.43 2qbj s LYS 78 Ca 0.00 1.04 -0.07 0.00 -1.00 0.00 0.00 55.97 55.95 2qbj s LYS 78 Cb 0.00 -4.33 0.03 0.00 -2.06 0.00 0.00 37.83 31.47 2qbj s LYS 78 CO 0.00 -2.43 1.00 1.63 0.10 0.00 0.00 175.35 175.65 2qbj n LYS 79 N 8.85 -6.46 -0.99 1.78 5.02 -1.26 -1.74 118.16 123.35 2qbj n LYS 79 Ca 0.23 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 57.25 2qbj n LYS 79 Cb 0.50 -5.64 0.00 0.00 -0.02 0.00 0.00 35.03 29.87 2qbj n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qbj n GLY 80 N -1.67 0.46 0.00 0.72 0.00 -1.17 -4.98 105.19 98.54 2qbj n GLY 80 Ca -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2qbj n GLY 80 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qbj n GLU 81 N -2.99 0.00 -0.30 1.61 4.07 -0.07 -1.45 120.64 121.51 2qbj n GLU 81 Ca 0.00 0.57 0.13 0.00 -0.06 0.00 0.00 57.16 57.80 2qbj n GLU 81 Cb 0.00 -1.42 0.30 0.00 -0.06 0.00 0.00 31.44 30.26 2qbj n GLU 81 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 2qbj h ASP 82 N 0.00 0.24 0.05 4.31 3.32 -1.38 -1.19 116.42 121.77 2qbj h ASP 82 Ca 0.00 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2qbj h ASP 82 Cb 0.00 0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 2qbj h ASP 82 CO 0.00 -0.04 -0.21 0.58 -1.72 0.00 0.00 179.24 177.85 2qbj h VAL 83 N 0.35 0.00 -0.92 -1.35 2.07 -1.26 -1.56 116.25 113.57 2qbj h VAL 83 Ca 0.55 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.29 2qbj h VAL 83 Cb 1.07 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.72 2qbj h VAL 83 CO -0.56 0.00 0.46 -0.08 0.02 0.00 0.00 177.57 177.41 2qbj h GLU 84 N -0.30 0.46 0.14 1.57 4.22 -0.43 -1.55 114.58 118.69 2qbj h GLU 84 Ca -0.00 -0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.43 2qbj h GLU 84 Cb 0.30 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2qbj h GLU 84 CO -0.11 0.30 -0.42 -0.22 -2.18 0.00 0.00 179.01 176.38 2qbj h LYS 85 N 0.47 -0.64 -0.83 1.92 3.64 -0.55 -1.95 116.57 118.64 2qbj h LYS 85 Ca 0.58 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 60.09 2qbj h LYS 85 Cb 1.08 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.99 2qbj h LYS 85 CO -0.50 -0.43 0.54 -0.07 -2.27 0.00 0.00 179.45 176.72 2qbj h LEU 86 N -0.67 0.72 -0.45 5.20 3.38 -0.35 -2.82 115.31 120.32 2qbj h LEU 86 Ca 0.02 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.10 2qbj h LEU 86 Cb 0.69 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 41.21 2qbj h LEU 86 CO -0.23 0.43 -0.21 -0.09 0.09 0.00 0.00 178.44 178.43 2qbj h ARG 87 N 0.80 -0.11 -0.22 1.13 2.43 -0.67 -1.53 114.38 116.21 2qbj h ARG 87 Ca 0.38 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.59 2qbj h ARG 87 Cb 0.40 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 2qbj h ARG 87 CO -0.15 -0.08 0.02 -0.22 -1.51 0.00 0.00 179.97 178.04 2qbj h LYS 88 N -0.12 0.10 0.13 0.20 3.11 -1.38 -1.38 116.57 117.23 2qbj h LYS 88 Ca 0.21 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 58.07 2qbj h LYS 88 Cb 0.45 -0.02 -0.04 0.00 -1.00 0.00 0.00 32.23 31.62 2qbj h LYS 88 CO -0.53 0.06 -0.36 0.28 -2.81 0.00 0.00 179.45 176.10 2qbj h VAL 89 N 0.10 0.25 -0.03 2.00 2.07 -1.45 0.19 116.25 119.38 2qbj h VAL 89 Ca 0.10 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.66 2qbj h VAL 89 Cb 0.12 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 2qbj h VAL 89 CO -0.16 0.00 -0.42 0.58 0.02 0.00 0.00 177.57 177.59 2qbj h VAL 90 N -0.60 0.15 -0.95 2.57 2.07 -1.09 0.65 116.25 119.04 2qbj h VAL 90 Ca 0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.68 2qbj h VAL 90 Cb 0.63 0.15 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 2qbj h VAL 90 CO -0.21 0.00 0.60 0.00 0.02 0.00 0.00 177.57 177.98 2qbj h ALA 91 N -0.01 1.67 0.02 1.67 0.00 -1.01 -0.58 119.26 121.01 2qbj h ALA 91 Ca 0.05 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qbj h ALA 91 Cb 0.65 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2qbj h ALA 91 CO -0.34 0.08 -0.01 0.22 0.00 0.00 0.00 179.25 179.21 2qbj h ASP 92 N 0.85 -0.02 -0.85 0.00 1.82 0.69 0.66 116.42 119.57 2qbj h ASP 92 Ca 0.48 -0.48 0.12 0.00 -0.39 0.00 0.00 57.03 56.76 2qbj h ASP 92 Cb 0.61 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 40.54 2qbj h ASP 92 CO -0.24 0.47 0.48 0.40 -1.61 0.00 0.00 179.24 178.74 2qbj h ILE 93 N -0.52 0.84 0.00 2.25 2.04 0.88 -0.20 117.51 122.80 2qbj h ILE 93 Ca -0.00 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2qbj h ILE 93 Cb 0.50 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 2qbj h ILE 93 CO 0.00 0.14 -0.54 0.00 0.00 0.00 0.00 178.15 177.75 2qbj n ALA 94 N -2.39 3.45 -0.91 1.87 0.00 -0.29 -4.94 120.51 117.30 2qbj n ALA 94 Ca 0.15 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2qbj n ALA 94 Cb 0.35 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2qbj n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qbj n GLY 95 N 1.47 0.39 3.31 0.00 0.00 0.21 -4.98 105.19 105.60 2qbj n GLY 95 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 2qbj n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2qbj s VAL 96 N -2.01 1.59 -0.36 1.61 -7.23 -0.24 -4.94 120.40 108.82 2qbj s VAL 96 Ca 0.00 -2.10 -0.27 0.00 -1.81 0.00 0.00 61.98 57.80 2qbj s VAL 96 Cb 0.00 -1.93 -0.05 0.00 0.56 0.00 0.00 36.38 34.96 2qbj s VAL 96 CO 0.00 -0.58 2.23 -2.16 -0.31 0.00 0.00 175.10 174.28 2qbj s PRO 97 N -3.47 2.70 -0.06 4.82 0.04 -1.23 -4.16 135.00 133.64 2qbj s PRO 97 Ca 0.19 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.88 2qbj s PRO 97 Cb -0.01 -4.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.06 2qbj s PRO 97 CO 0.05 -2.59 -0.10 0.00 0.04 0.00 0.00 177.00 174.40 2qbj s ALA 98 N 9.78 2.83 0.22 8.56 0.00 -1.26 -3.54 121.76 138.35 2qbj s ALA 98 Ca 0.95 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 52.00 2qbj s ALA 98 Cb -0.24 -1.10 0.03 0.00 0.00 0.00 0.00 23.12 21.80 2qbj s ALA 98 CO 0.30 0.57 0.22 1.04 0.00 0.00 0.00 175.76 177.89 2qbj n GLN 99 N 2.25 1.05 -3.15 0.00 3.00 -0.48 -4.52 117.38 115.52 2qbj n GLN 99 Ca -0.18 -1.32 0.05 0.00 -0.01 0.00 0.00 57.00 55.54 2qbj n GLN 99 Cb 0.53 0.06 -0.01 0.00 0.00 0.00 0.00 30.24 30.81 2qbj n GLN 99 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.06 175.56 2qbj s ILE 100 N -0.84 -0.69 0.10 5.09 2.07 -1.18 -4.17 121.20 121.58 2qbj s ILE 100 Ca 0.17 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.43 2qbj s ILE 100 Cb -0.01 -0.93 -0.04 0.00 0.13 0.00 0.00 42.46 41.60 2qbj s ILE 100 CO 0.11 0.00 0.14 0.20 -1.91 0.00 0.00 174.94 173.47 2qbj s ASN 101 N 2.90 5.79 -0.06 4.50 0.01 -1.25 -4.99 114.94 121.85 2qbj s ASN 101 Ca 0.12 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.33 2qbj s ASN 101 Cb -0.12 -1.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.89 2qbj s ASN 101 CO -0.18 0.14 -0.04 -0.63 -1.51 0.00 0.00 177.10 174.88 2qbj s ILE 102 N -1.51 3.92 -0.06 0.60 1.09 -1.26 -1.12 121.20 122.87 2qbj s ILE 102 Ca 0.31 -0.45 0.06 0.00 -1.10 0.00 0.00 60.65 59.47 2qbj s ILE 102 Cb -0.12 -2.64 -0.01 0.00 -1.06 0.00 0.00 42.46 38.63 2qbj s ILE 102 CO 0.24 0.56 -0.24 0.00 -0.10 0.00 0.00 174.94 175.40 2qbj s ALA 103 N -0.88 2.04 1.00 9.38 0.00 0.46 -4.95 121.76 128.82 2qbj s ALA 103 Ca 0.14 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.12 2qbj s ALA 103 Cb -0.11 -0.64 0.00 0.00 0.00 0.00 0.00 23.12 22.37 2qbj s ALA 103 CO 0.03 0.39 0.00 -1.91 0.00 0.00 0.00 175.76 174.27 2qbj n GLU 104 N 2.99 0.76 -3.69 0.00 2.13 -1.26 -3.19 120.64 118.38 2qbj n GLU 104 Ca -0.18 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.52 2qbj n GLU 104 Cb 0.52 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.10 2qbj n GLU 104 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2qbj s VAL 105 N -0.09 -0.27 -0.87 6.31 -7.23 -1.26 -4.53 120.40 112.45 2qbj s VAL 105 Ca 0.00 0.23 -0.21 0.00 -1.81 0.00 0.00 61.98 60.19 2qbj s VAL 105 Cb 0.00 -0.43 -0.13 0.00 0.56 0.00 0.00 36.38 36.38 2qbj s VAL 105 CO 0.00 0.09 1.97 -2.11 -0.31 0.00 0.00 175.10 174.74 2qbj n ARG 106 N 4.92 1.70 -1.90 4.82 0.00 -1.26 -4.57 116.66 120.36 2qbj n ARG 106 Ca -0.14 -1.96 0.00 0.00 -0.00 0.00 0.00 57.85 55.75 2qbj n ARG 106 Cb 0.51 -2.98 0.00 0.00 -0.00 0.00 0.00 32.46 29.99 2qbj n ARG 106 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2qbj n LYS 107 N 6.89 -3.91 0.30 2.89 5.02 -1.26 -4.65 118.16 123.44 2qbj n LYS 107 Ca 0.50 2.95 0.18 0.00 -2.02 0.00 0.00 58.31 59.92 2qbj n LYS 107 Cb 0.40 -3.49 0.93 0.00 -0.02 0.00 0.00 35.03 32.85 2qbj n LYS 107 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2qbj h PRO 108 N 3.15 0.00 0.00 1.97 0.13 -1.96 -2.51 132.00 132.78 2qbj h PRO 108 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2qbj h PRO 108 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2qbj h PRO 108 CO 0.00 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.19 2qbj n GLU 109 N -3.28 0.03 0.00 0.86 1.02 -1.26 -1.68 120.64 116.32 2qbj n GLU 109 Ca -0.02 0.35 0.01 0.00 -0.02 0.00 0.00 57.16 57.47 2qbj n GLU 109 Cb 0.18 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2qbj n GLU 109 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qbj n LEU 110 N -1.39 1.04 -4.70 -4.62 4.77 -0.94 -3.95 117.00 107.20 2qbj n LEU 110 Ca 0.01 -0.97 -0.38 0.00 -0.03 0.00 0.00 56.01 54.64 2qbj n LEU 110 Cb 0.03 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2qbj n LEU 110 CO 0.03 0.25 0.18 -0.62 -1.33 0.00 0.00 177.39 175.90 2qbj s ASP 111 N -0.14 6.63 0.00 -1.43 2.15 -0.68 -4.96 116.67 118.24 2qbj s ASP 111 Ca 0.01 0.75 0.00 0.00 0.43 0.00 0.00 52.55 53.74 2qbj s ASP 111 Cb 0.01 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.35 2qbj s ASP 111 CO 0.01 -0.05 0.70 0.00 -0.17 0.00 0.00 175.17 175.67 2qbj n ALA 112 N 4.03 -0.13 -0.24 3.66 0.00 -1.26 -0.99 120.51 125.58 2qbj n ALA 112 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 2qbj n ALA 112 Cb 0.51 0.13 -0.06 0.00 0.00 0.00 0.00 19.45 20.04 2qbj n ALA 112 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2qbj n LYS 113 N -1.37 -0.25 0.04 0.00 3.00 -1.26 -0.24 118.16 118.08 2qbj n LYS 113 Ca 0.00 0.93 -0.03 0.00 -0.00 0.00 0.00 58.31 59.21 2qbj n LYS 113 Cb 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 35.03 33.64 2qbj n LYS 113 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2qbj h LEU 114 N 0.00 -0.21 -1.80 3.14 3.38 -1.84 1.03 115.31 119.01 2qbj h LEU 114 Ca 0.09 0.02 0.49 0.00 0.09 0.00 0.00 57.88 58.57 2qbj h LEU 114 Cb 0.23 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 2qbj h LEU 114 CO -0.53 -0.10 1.15 0.58 0.09 0.00 0.00 178.44 179.63 2qbj h VAL 115 N -0.14 0.10 0.00 1.22 2.07 -0.06 0.70 116.25 120.14 2qbj h VAL 115 Ca -0.01 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2qbj h VAL 115 Cb 0.13 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2qbj h VAL 115 CO -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.57 2qbj h ALA 116 N 1.27 0.00 -1.02 1.67 0.00 0.28 -3.18 119.26 118.27 2qbj h ALA 116 Ca 0.85 -0.01 0.25 0.00 0.00 0.00 0.00 54.91 56.00 2qbj h ALA 116 Cb 3.16 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 20.85 2qbj h ALA 116 CO -0.15 0.01 0.63 -0.44 0.00 0.00 0.00 179.25 179.30 2qbj h ASP 117 N -0.72 0.57 -0.51 0.00 3.45 0.27 0.13 116.42 119.62 2qbj h ASP 117 Ca 0.00 0.11 0.04 0.00 0.43 0.00 0.00 57.03 57.60 2qbj h ASP 117 Cb 0.01 0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 38.75 2qbj h ASP 117 CO 0.00 0.11 0.28 0.77 -1.57 0.00 0.00 179.24 178.82 2qbj h SER 118 N 0.50 0.42 0.18 6.45 4.64 0.21 -2.62 113.55 123.33 2qbj h SER 118 Ca 0.62 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.95 2qbj h SER 118 Cb 1.35 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2qbj h SER 118 CO -0.38 0.29 -0.09 0.40 -0.87 0.00 0.00 176.83 176.18 2qbj h ILE 119 N 0.54 0.84 -0.77 0.95 2.04 -0.71 -2.27 117.51 118.12 2qbj h ILE 119 Ca 0.22 -0.06 0.16 0.00 1.00 0.00 0.00 64.86 66.18 2qbj h ILE 119 Cb 0.09 0.87 -0.11 0.00 -0.74 0.00 0.00 36.82 36.94 2qbj h ILE 119 CO -0.13 0.01 0.27 0.71 0.00 0.00 0.00 178.15 179.01 2qbj h THR 120 N -0.27 0.57 -0.59 -0.27 1.35 -1.31 0.20 112.91 112.59 2qbj h THR 120 Ca -0.02 -0.13 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 2qbj h THR 120 Cb 0.21 0.17 -0.03 0.00 -1.73 0.00 0.00 68.15 66.77 2qbj h THR 120 CO 0.04 0.07 0.34 0.28 -0.25 0.00 0.00 175.52 176.00 2qbj h SER 121 N 0.37 0.72 -0.68 5.36 0.02 -1.26 -2.69 113.55 115.39 2qbj h SER 121 Ca 0.44 -0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.38 2qbj h SER 121 Cb 0.73 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 2qbj h SER 121 CO -0.47 0.58 0.37 1.56 -1.14 0.00 0.00 176.83 177.73 2qbj h GLN 122 N 0.80 0.65 -0.15 3.45 4.20 -0.39 -1.99 115.11 121.67 2qbj h GLN 122 Ca 0.21 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.91 2qbj h GLN 122 Cb 0.00 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 2qbj h GLN 122 CO -0.04 0.43 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.47 2qbj h LEU 123 N 0.67 -0.08 -2.29 1.46 3.38 -1.03 -0.37 115.31 117.04 2qbj h LEU 123 Ca 0.31 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.35 2qbj h LEU 123 Cb 0.22 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 2qbj h LEU 123 CO -0.20 -0.02 0.13 -0.33 0.09 0.00 0.00 178.44 178.11 2qbj h GLU 124 N 0.04 0.00 0.00 1.13 5.08 -1.18 0.30 114.58 119.95 2qbj h GLU 124 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2qbj h GLU 124 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2qbj h GLU 124 CO -0.13 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 175.75 2qbj n ARG 125 N -3.85 0.80 -2.45 2.33 0.63 -0.16 -4.86 116.66 109.10 2qbj n ARG 125 Ca -0.00 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.88 2qbj n ARG 125 Cb 0.24 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.66 2qbj n ARG 125 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2qbj n ARG 126 N -1.02 -1.16 -3.77 -0.14 5.12 0.11 -5.04 116.66 110.75 2qbj n ARG 126 Ca 0.20 0.21 -0.35 0.00 -1.93 0.00 0.00 57.85 55.97 2qbj n ARG 126 Cb 0.10 -3.61 -0.05 0.00 -1.16 0.00 0.00 32.46 27.74 2qbj n ARG 126 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2qbj s VAL 127 N -2.69 5.33 0.07 1.55 -7.23 -1.14 -5.03 120.40 111.28 2qbj s VAL 127 Ca 0.07 0.20 -0.34 0.00 -1.81 0.00 0.00 61.98 60.10 2qbj s VAL 127 Cb -0.03 -3.54 -0.14 0.00 0.56 0.00 0.00 36.38 33.23 2qbj s VAL 127 CO 0.09 0.43 1.63 0.23 -0.31 0.00 0.00 175.10 177.17 2qbj n MET 128 N 1.32 2.01 -0.18 4.82 2.81 -1.26 -4.62 117.12 122.02 2qbj n MET 128 Ca -0.13 0.73 -0.01 0.00 -1.81 0.00 0.00 57.70 56.48 2qbj n MET 128 Cb 0.53 -2.50 0.08 0.00 -0.71 0.00 0.00 33.22 30.62 2qbj n MET 128 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2qbj h PHE 129 N 6.63 -0.02 -0.37 2.03 -0.00 -1.96 -2.05 116.94 121.19 2qbj h PHE 129 Ca -0.46 0.04 0.07 0.00 -0.00 0.00 0.00 57.97 57.62 2qbj h PHE 129 Cb 1.27 0.09 -0.06 0.00 -0.00 0.00 0.00 35.95 37.25 2qbj h PHE 129 CO 0.69 -0.12 -0.03 -0.09 -0.00 0.00 0.00 178.31 178.76 2qbj h ARG 130 N 0.13 0.07 0.05 6.09 9.65 -2.00 -2.32 114.38 126.05 2qbj h ARG 130 Ca 0.28 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.16 2qbj h ARG 130 Cb 0.43 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.98 2qbj h ARG 130 CO -0.45 0.04 -0.15 -0.09 2.80 0.00 0.00 179.97 182.12 2qbj h ARG 131 N 0.07 -0.22 -0.78 0.20 9.65 -1.74 -1.36 114.38 120.19 2qbj h ARG 131 Ca 0.18 0.02 0.18 0.00 -1.10 0.00 0.00 59.98 59.25 2qbj h ARG 131 Cb 0.26 0.05 -0.14 0.00 -1.39 0.00 0.00 29.97 28.76 2qbj h ARG 131 CO -0.33 -0.15 -0.01 0.00 2.80 0.00 0.00 179.97 182.28 2qbj h ALA 132 N -1.30 0.79 -1.12 2.80 0.00 -1.49 0.14 119.26 119.07 2qbj h ALA 132 Ca -0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2qbj h ALA 132 Cb 0.23 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2qbj h ALA 132 CO -0.07 -0.43 0.00 -0.12 0.00 0.00 0.00 179.25 178.63 2qbj n MET 133 N -5.37 0.00 -0.31 0.00 0.00 -0.88 -1.56 117.12 109.00 2qbj n MET 133 Ca 0.14 0.58 0.19 0.00 0.00 0.00 0.00 57.70 58.61 2qbj n MET 133 Cb 0.49 -1.31 0.45 0.00 0.00 0.00 0.00 33.22 32.85 2qbj n MET 133 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 175.97 175.75 2qbj h LYS 134 N 0.00 0.49 0.69 2.12 3.64 -0.85 -2.47 116.57 120.18 2qbj h LYS 134 Ca 0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2qbj h LYS 134 Cb 0.00 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2qbj h LYS 134 CO 0.00 0.32 -0.45 -0.09 -2.27 0.00 0.00 179.45 176.97 2qbj h ARG 135 N 0.50 -1.03 -0.77 1.90 9.65 -0.33 -2.32 114.38 121.98 2qbj h ARG 135 Ca 0.57 0.07 0.13 0.00 -1.10 0.00 0.00 59.98 59.65 2qbj h ARG 135 Cb 1.26 0.23 -0.09 0.00 -1.39 0.00 0.00 29.97 29.99 2qbj h ARG 135 CO -0.30 -0.69 0.35 0.00 2.80 0.00 0.00 179.97 182.13 2qbj h ALA 136 N -1.23 1.10 0.00 2.80 0.00 -0.85 -2.46 119.26 118.63 2qbj h ALA 136 Ca -0.09 0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2qbj h ALA 136 Cb 0.86 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2qbj h ALA 136 CO 0.08 -0.14 -0.48 0.28 0.00 0.00 0.00 179.25 178.99 2qbj h VAL 137 N 0.53 0.00 -0.10 0.00 2.07 -1.25 -0.40 116.25 117.10 2qbj h VAL 137 Ca 0.41 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.95 2qbj h VAL 137 Cb 0.57 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 2qbj h VAL 137 CO -0.36 0.00 -0.31 1.56 0.02 0.00 0.00 177.57 178.48 2qbj h GLN 138 N -0.60 -0.31 -0.72 1.57 7.50 -0.96 -0.76 115.11 120.83 2qbj h GLN 138 Ca 0.01 0.02 0.16 0.00 0.50 0.00 0.00 58.65 59.34 2qbj h GLN 138 Cb 0.64 0.07 -0.13 0.00 0.05 0.00 0.00 27.48 28.11 2qbj h GLN 138 CO -0.32 -0.20 -0.05 -0.91 -1.50 0.00 0.00 178.83 175.85 2qbj h ASN 139 N -0.32 -0.43 -0.67 1.46 -0.26 -1.35 0.34 115.58 114.34 2qbj h ASN 139 Ca 0.02 0.20 0.01 0.00 -0.56 0.00 0.00 56.30 55.96 2qbj h ASN 139 Cb 0.38 0.36 -0.03 0.00 -1.06 0.00 0.00 38.32 37.97 2qbj h ASN 139 CO -0.26 -0.19 0.44 0.00 -1.06 0.00 0.00 177.43 176.36 2qbj h ALA 140 N 1.69 0.85 0.00 -0.83 0.00 -0.60 -0.22 119.26 120.15 2qbj h ALA 140 Ca 0.38 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 2qbj h ALA 140 Cb 0.64 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2qbj h ALA 140 CO -0.67 0.28 -0.57 1.98 0.00 0.00 0.00 179.25 180.27 2qbj h MET 141 N 0.91 0.00 0.01 0.00 1.85 0.45 -3.26 114.93 114.89 2qbj h MET 141 Ca 0.25 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.34 2qbj h MET 141 Cb -0.11 0.00 0.00 0.00 0.43 0.00 0.00 31.60 31.92 2qbj h MET 141 CO -0.05 0.57 -0.01 -0.09 -0.40 0.00 0.00 176.91 176.93 2qbj h ARG 142 N 0.00 -0.02 -0.09 0.39 2.43 0.17 -3.14 114.38 114.13 2qbj h ARG 142 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2qbj h ARG 142 Cb 1.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.57 2qbj h ARG 142 CO 0.07 0.64 0.00 1.28 -1.51 0.00 0.00 179.97 180.45 2qbj n LEU 143 N -4.78 0.09 0.00 3.80 7.99 -0.15 -4.91 117.00 119.05 2qbj n LEU 143 Ca -0.09 -0.05 0.00 0.00 -0.01 0.00 0.00 56.01 55.87 2qbj n LEU 143 Cb 0.33 -0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 2qbj n LEU 143 CO 0.33 0.02 0.00 0.61 -1.51 0.00 0.00 177.39 176.84 2qbj n GLY 144 N -0.00 0.13 1.45 -0.72 0.00 -1.19 -5.03 105.19 99.84 2qbj n GLY 144 Ca 0.00 -1.49 0.18 0.00 0.00 0.00 0.00 46.02 44.70 2qbj n GLY 144 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbj n ALA 145 N -1.00 -3.81 -0.01 4.61 0.00 -1.26 -4.19 120.51 114.85 2qbj n ALA 145 Ca 0.00 0.91 -0.00 0.00 0.00 0.00 0.00 53.44 54.35 2qbj n ALA 145 Cb 0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 19.45 17.86 2qbj n ALA 145 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qbj n LYS 146 N -4.35 2.18 -3.66 0.00 5.02 -0.49 -4.93 118.16 111.92 2qbj n LYS 146 Ca -0.09 -0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.05 2qbj n LYS 146 Cb 0.69 -1.07 -0.08 0.00 -0.02 0.00 0.00 35.03 34.55 2qbj n LYS 146 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2qbj s GLY 147 N -2.93 -0.46 0.01 0.72 0.00 -0.85 -3.43 107.32 100.38 2qbj s GLY 147 Ca -0.01 1.71 0.00 0.00 0.00 0.00 0.00 44.72 46.42 2qbj s GLY 147 CO 0.11 1.47 -0.02 -1.50 0.00 0.00 0.00 173.10 173.16 2qbj s ILE 148 N 0.27 0.08 -0.31 0.90 2.07 0.95 0.13 121.20 125.29 2qbj s ILE 148 Ca -0.00 -0.44 -0.01 0.00 -1.41 0.00 0.00 60.65 58.78 2qbj s ILE 148 Cb -0.04 -0.15 0.12 0.00 0.13 0.00 0.00 42.46 42.53 2qbj s ILE 148 CO 0.01 -0.23 0.22 -0.75 -1.91 0.00 0.00 174.94 172.28 2qbj s LYS 149 N -0.70 0.36 0.06 3.50 2.20 0.11 -1.38 119.74 123.88 2qbj s LYS 149 Ca -0.07 -0.66 -0.23 0.00 -0.36 0.00 0.00 55.97 54.66 2qbj s LYS 149 Cb -0.05 -1.01 -0.06 0.00 -1.51 0.00 0.00 37.83 35.20 2qbj s LYS 149 CO -0.00 -1.09 0.68 0.08 -0.36 0.00 0.00 175.35 174.65 2qbj s VAL 150 N 1.85 4.72 -0.14 4.02 1.01 -1.06 -1.98 120.40 128.81 2qbj s VAL 150 Ca 0.12 1.44 -0.04 0.00 0.00 0.00 0.00 61.98 63.50 2qbj s VAL 150 Cb -0.17 -4.02 0.06 0.00 0.00 0.00 0.00 36.38 32.25 2qbj s VAL 150 CO -0.23 0.45 0.11 -0.70 0.00 0.00 0.00 175.10 174.72 2qbj s GLU 151 N -0.51 0.05 -0.15 2.72 2.12 -1.06 -4.20 118.70 117.67 2qbj s GLU 151 Ca 0.34 0.09 -0.13 0.00 0.36 0.00 0.00 54.97 55.63 2qbj s GLU 151 Cb -0.20 -1.38 -0.05 0.00 0.26 0.00 0.00 34.13 32.76 2qbj s GLU 151 CO 0.21 -0.58 0.29 0.08 -0.54 0.00 0.00 175.26 174.72 2qbj s VAL 152 N 2.18 5.30 0.00 3.70 1.01 -1.24 -1.84 120.40 129.51 2qbj s VAL 152 Ca 0.03 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2qbj s VAL 152 Cb -0.15 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.61 2qbj s VAL 152 CO -0.08 0.42 0.00 -1.54 0.00 0.00 0.00 175.10 173.90 2qbj n SER 153 N 3.36 -0.38 -2.72 3.32 3.41 0.24 -0.08 113.62 120.77 2qbj n SER 153 Ca -0.13 -0.11 -0.01 0.00 -0.26 0.00 0.00 58.87 58.37 2qbj n SER 153 Cb 0.52 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.48 2qbj n SER 153 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qbj n GLY 154 N 1.80 -2.93 2.59 5.00 0.00 -1.24 -4.02 105.19 106.39 2qbj n GLY 154 Ca 0.00 -1.37 -0.21 0.00 0.00 0.00 0.00 46.02 44.44 2qbj n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qbj n ARG 155 N -1.83 -1.46 -1.58 1.61 5.12 -1.26 -4.61 116.66 112.65 2qbj n ARG 155 Ca 0.01 1.22 -0.52 0.00 -1.93 0.00 0.00 57.85 56.63 2qbj n ARG 155 Cb 0.02 -5.61 -0.06 0.00 -1.16 0.00 0.00 32.46 25.65 2qbj n ARG 155 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2qbj n LEU 156 N -2.38 1.50 -1.97 0.55 4.77 -1.25 0.90 117.00 119.12 2qbj n LEU 156 Ca -0.21 1.12 -0.16 0.00 -0.03 0.00 0.00 56.01 56.73 2qbj n LEU 156 Cb 0.68 -1.17 -0.04 0.00 -2.33 0.00 0.00 43.42 40.56 2qbj n LEU 156 CO 0.32 -1.14 -0.18 0.61 -1.33 0.00 0.00 177.39 175.66 2qbj n GLY 157 N 2.39 0.48 2.27 -0.72 0.00 -1.26 -1.36 105.19 106.99 2qbj n GLY 157 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.04 2qbj n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbj n GLY 158 N -0.62 1.46 3.42 -0.02 0.00 0.26 -4.92 105.19 104.77 2qbj n GLY 158 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2qbj n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbj n ALA 159 N 0.71 -2.75 -0.13 4.61 0.00 -0.47 -4.90 120.51 117.59 2qbj n ALA 159 Ca -0.17 -0.79 -0.10 0.00 0.00 0.00 0.00 53.44 52.38 2qbj n ALA 159 Cb 0.55 -1.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 2qbj n ALA 159 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qbj h GLU 160 N -1.79 0.60 -4.69 0.00 5.08 -1.91 -3.40 114.58 108.47 2qbj h GLU 160 Ca -0.47 -0.15 -0.69 0.00 -1.00 0.00 0.00 59.36 57.06 2qbj h GLU 160 Cb 1.30 -0.08 -0.23 0.00 0.50 0.00 0.00 28.75 30.24 2qbj h GLU 160 CO 0.37 0.64 -0.53 0.42 -1.00 0.00 0.00 179.01 178.91 2qbj s ILE 161 N -5.28 4.63 0.63 3.13 1.01 -1.26 -5.05 121.20 119.02 2qbj s ILE 161 Ca -0.13 -0.61 -0.18 0.00 0.00 0.00 0.00 60.65 59.73 2qbj s ILE 161 Cb 0.10 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 2qbj s ILE 161 CO 0.76 -0.08 0.96 0.00 0.00 0.00 0.00 174.94 176.58 2qbj n ALA 162 N 5.00 0.09 -3.59 9.38 0.00 -1.26 -4.71 120.51 125.41 2qbj n ALA 162 Ca -0.13 -0.04 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 2qbj n ALA 162 Cb 0.48 -2.11 -0.08 0.00 0.00 0.00 0.00 19.45 17.74 2qbj n ALA 162 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2qbj s ARG 163 N -2.88 0.75 0.30 0.00 1.70 -1.26 -4.64 118.95 112.92 2qbj s ARG 163 Ca 0.76 0.99 -0.17 0.00 -0.47 0.00 0.00 55.73 56.84 2qbj s ARG 163 Cb -0.40 0.31 -0.09 0.00 -0.57 0.00 0.00 34.95 34.20 2qbj s ARG 163 CO 0.47 -0.11 0.76 0.99 -1.08 0.00 0.00 175.30 176.33 2qbj s THR 164 N 0.68 4.60 0.30 4.99 2.01 -1.26 -3.67 115.64 123.30 2qbj s THR 164 Ca -0.03 1.14 0.07 0.00 0.31 0.00 0.00 61.69 63.18 2qbj s THR 164 Cb -0.05 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2qbj s THR 164 CO -0.04 -0.06 0.26 -0.70 -0.69 0.00 0.00 174.62 173.39 2qbj s GLU 165 N -2.65 2.82 0.00 4.92 2.56 0.89 -4.98 118.70 122.26 2qbj s GLU 165 Ca 0.51 -1.19 0.00 0.00 0.00 0.00 0.00 54.97 54.30 2qbj s GLU 165 Cb -0.12 -2.53 0.00 0.00 2.00 0.00 0.00 34.13 33.48 2qbj s GLU 165 CO 0.18 0.22 0.00 1.87 -0.56 0.00 0.00 175.26 176.97 2qbj n TRP 166 N -1.31 0.00 -0.16 5.30 -0.00 -1.26 -3.66 117.44 116.35 2qbj n TRP 166 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 2qbj n TRP 166 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.90 2qbj n TRP 166 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 177.69 178.67 2qbj n TYR 167 N 0.00 0.00 -3.56 5.87 9.36 -1.26 -4.55 117.16 123.02 2qbj n TYR 167 Ca 0.00 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.22 2qbj n TYR 167 Cb 0.00 -1.00 -0.06 0.00 -0.63 0.00 0.00 39.34 37.65 2qbj n TYR 167 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2qbj s ARG 168 N -3.62 0.30 0.21 2.98 3.00 -1.26 -2.56 118.95 118.00 2qbj s ARG 168 Ca 0.00 0.58 0.10 0.00 -1.00 0.00 0.00 55.73 55.41 2qbj s ARG 168 Cb 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 34.95 35.07 2qbj s ARG 168 CO 0.00 -0.07 -0.13 -1.21 0.00 0.00 0.00 175.30 173.89 2qbj s GLU 169 N 1.64 1.91 0.11 5.12 2.02 -0.48 -4.96 118.70 124.06 2qbj s GLU 169 Ca -0.07 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 53.50 2qbj s GLU 169 Cb -0.04 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.16 2qbj s GLU 169 CO -0.15 0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.94 2qbj n GLY 170 N -0.15 -3.52 3.64 -1.39 0.00 -1.26 -0.03 105.19 102.48 2qbj n GLY 170 Ca -0.10 -0.97 -0.51 0.00 0.00 0.00 0.00 46.02 44.44 2qbj n GLY 170 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2qbj n ARG 171 N -0.66 1.49 -3.75 1.61 1.85 -1.22 -3.99 116.66 111.99 2qbj n ARG 171 Ca 0.00 0.54 -0.28 0.00 -1.00 0.00 0.00 57.85 57.11 2qbj n ARG 171 Cb 0.00 -2.24 -0.11 0.00 -1.05 0.00 0.00 32.46 29.06 2qbj n ARG 171 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2qbj n VAL 172 N 3.44 1.16 -2.39 8.89 0.31 -1.26 -3.98 118.33 124.48 2qbj n VAL 172 Ca 0.20 -4.63 -0.37 0.00 -0.01 0.00 0.00 64.34 59.53 2qbj n VAL 172 Cb 0.21 -2.08 -0.03 0.00 -0.91 0.00 0.00 33.84 31.03 2qbj n VAL 172 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2qbj s PRO 173 N -1.30 3.34 0.56 5.55 0.04 -1.26 -4.79 135.00 137.14 2qbj s PRO 173 Ca 0.28 -1.22 0.35 0.00 0.04 0.00 0.00 61.00 60.44 2qbj s PRO 173 Cb -0.00 -5.34 1.47 0.00 0.04 0.00 0.00 34.50 30.67 2qbj s PRO 173 CO -0.16 -2.71 2.02 -0.07 0.04 0.00 0.00 177.00 176.11 2qbj h LEU 174 N 14.44 0.00 0.00 -3.56 4.07 -2.00 -3.14 115.31 125.12 2qbj h LEU 174 Ca 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.20 2qbj h LEU 174 Cb 0.96 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.70 2qbj h LEU 174 CO 1.37 0.00 -0.05 0.45 -1.08 0.00 0.00 178.44 179.13 2qbj h HIS 175 N 0.00 0.04 -0.86 1.13 3.86 -2.01 -3.43 115.15 113.88 2qbj h HIS 175 Ca 0.00 -0.02 -0.38 0.00 -1.16 0.00 0.00 60.37 58.81 2qbj h HIS 175 Cb 0.46 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 2qbj h HIS 175 CO 0.00 0.90 1.40 2.41 0.86 0.00 0.00 177.93 183.49 2qbj n THR 176 N -4.64 -0.04 -0.13 2.45 -1.04 -1.19 -4.80 114.28 104.89 2qbj n THR 176 Ca -0.10 -0.54 -0.08 0.00 -2.04 0.00 0.00 64.05 61.29 2qbj n THR 176 Cb 0.44 -1.88 -0.06 0.00 -1.82 0.00 0.00 70.33 67.01 2qbj n THR 176 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qbj h LEU 177 N 17.71 -1.21 -7.35 -4.42 3.38 -1.86 -2.81 115.31 118.75 2qbj h LEU 177 Ca -0.13 0.16 -0.45 0.00 0.09 0.00 0.00 57.88 57.56 2qbj h LEU 177 Cb 1.22 0.50 0.01 0.00 0.09 0.00 0.00 40.66 42.48 2qbj h LEU 177 CO 1.23 -0.22 1.47 -1.14 0.09 0.00 0.00 178.44 179.86 2qbj n ARG 178 N -4.37 1.32 0.00 1.13 0.63 -1.26 -3.86 116.66 110.25 2qbj n ARG 178 Ca -0.01 -2.06 0.00 0.00 -0.92 0.00 0.00 57.85 54.85 2qbj n ARG 178 Cb 0.20 -3.34 0.00 0.00 0.45 0.00 0.00 32.46 29.76 2qbj n ARG 178 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qbj n ALA 179 N 11.81 0.00 -2.93 5.13 0.00 -0.97 -4.18 120.51 129.38 2qbj n ALA 179 Ca 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.89 2qbj n ALA 179 Cb 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.88 2qbj n ALA 179 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2qbj n ASP 180 N 0.00 -5.73 -3.96 0.00 -0.08 -1.23 -3.79 116.55 101.76 2qbj n ASP 180 Ca 0.00 1.00 -0.30 0.00 -1.51 0.00 0.00 54.79 53.98 2qbj n ASP 180 Cb 0.00 -3.18 -0.16 0.00 2.34 0.00 0.00 41.12 40.12 2qbj n ASP 180 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2qbj s ILE 181 N -0.75 1.47 -0.72 5.18 1.09 -1.26 -2.29 121.20 123.93 2qbj s ILE 181 Ca -0.07 -0.94 -0.26 0.00 -1.10 0.00 0.00 60.65 58.28 2qbj s ILE 181 Cb 0.00 -1.61 0.01 0.00 -1.06 0.00 0.00 42.46 39.80 2qbj s ILE 181 CO 0.34 0.11 1.57 -0.62 -0.10 0.00 0.00 174.94 176.25 2qbj s ASP 182 N 1.46 5.75 -0.04 3.58 3.68 -0.08 -4.77 116.67 126.25 2qbj s ASP 182 Ca -0.01 -0.21 0.01 0.00 2.13 0.00 0.00 52.55 54.46 2qbj s ASP 182 Cb -0.16 -2.55 -0.03 0.00 -1.45 0.00 0.00 42.92 38.73 2qbj s ASP 182 CO -0.08 -2.09 -0.03 -0.47 0.13 0.00 0.00 175.17 172.63 2qbj s TYR 183 N 7.33 3.04 0.02 -5.34 5.04 -1.26 -2.78 117.35 123.39 2qbj s TYR 183 Ca 0.51 0.08 -0.29 0.00 -2.44 0.00 0.00 57.07 54.94 2qbj s TYR 183 Cb -0.09 -1.71 0.10 0.00 0.35 0.00 0.00 41.96 40.61 2qbj s TYR 183 CO 0.15 0.42 1.08 1.21 -1.34 0.00 0.00 175.55 177.07 2qbj s ASN 184 N -1.14 -0.17 0.27 4.32 3.04 -1.13 -4.76 114.94 115.37 2qbj s ASN 184 Ca 0.15 -0.18 0.02 0.00 0.04 0.00 0.00 52.86 52.90 2qbj s ASN 184 Cb -0.11 0.32 -0.04 0.00 -1.54 0.00 0.00 41.25 39.88 2qbj s ASN 184 CO 0.05 -0.56 0.17 0.42 -3.04 0.00 0.00 177.10 174.13 2qbj s THR 185 N -2.86 0.20 -0.22 -5.21 -4.23 -1.26 -1.11 115.64 100.95 2qbj s THR 185 Ca 0.11 -2.00 -0.22 0.00 -1.18 0.00 0.00 61.69 58.40 2qbj s THR 185 Cb 0.01 -2.52 0.06 0.00 1.34 0.00 0.00 72.50 71.39 2qbj s THR 185 CO -0.03 0.00 0.61 -0.94 -0.54 0.00 0.00 174.62 173.72 2qbj s SER 186 N -3.31 -0.64 -0.17 3.99 1.04 -0.82 -4.67 113.70 109.11 2qbj s SER 186 Ca 0.38 1.20 -0.09 0.00 0.48 0.00 0.00 55.95 57.92 2qbj s SER 186 Cb 0.05 1.22 -0.05 0.00 0.10 0.00 0.00 66.02 67.34 2qbj s SER 186 CO 0.17 -0.23 0.14 -1.61 0.98 0.00 0.00 173.24 172.69 2qbj s GLU 187 N 0.25 3.98 -0.36 4.02 2.02 -1.26 -2.05 118.70 125.30 2qbj s GLU 187 Ca -0.01 -0.18 -0.00 0.00 0.02 0.00 0.00 54.97 54.81 2qbj s GLU 187 Cb -0.04 -3.35 0.09 0.00 0.10 0.00 0.00 34.13 30.93 2qbj s GLU 187 CO 0.01 0.43 0.09 0.00 0.02 0.00 0.00 175.26 175.82 2qbj s ALA 188 N -0.04 2.97 -0.91 5.21 0.00 -0.98 -4.89 121.76 123.13 2qbj s ALA 188 Ca 0.10 -2.34 -0.22 0.00 0.00 0.00 0.00 51.96 49.51 2qbj s ALA 188 Cb -0.11 -2.13 0.07 0.00 0.00 0.00 0.00 23.12 20.95 2qbj s ALA 188 CO 0.00 -1.62 1.27 -1.01 0.00 0.00 0.00 175.76 174.40 2qbj s HIS 189 N 1.08 2.69 1.00 0.00 0.09 -1.26 0.35 115.29 119.24 2qbj s HIS 189 Ca 0.05 -0.85 -0.17 0.00 -0.00 0.00 0.00 55.06 54.09 2qbj s HIS 189 Cb -0.21 -4.52 0.22 0.00 -0.00 0.00 0.00 32.58 28.08 2qbj s HIS 189 CO -0.05 -1.79 1.31 0.99 -0.00 0.00 0.00 174.74 175.21 2qbj s THR 190 N 4.30 1.95 0.56 1.30 2.01 0.16 -4.89 115.64 121.04 2qbj s THR 190 Ca 0.37 0.00 0.28 0.00 0.31 0.00 0.00 61.69 62.66 2qbj s THR 190 Cb -0.05 -2.95 0.28 0.00 0.01 0.00 0.00 72.50 69.80 2qbj s THR 190 CO -0.04 0.00 1.85 0.71 -0.69 0.00 0.00 174.62 176.45 2qbj h THR 191 N -1.80 0.00 -1.87 -0.82 1.35 -1.96 -3.20 112.91 104.61 2qbj h THR 191 Ca -0.44 0.00 -0.48 0.00 -0.55 0.00 0.00 66.41 64.94 2qbj h THR 191 Cb 1.23 0.62 -0.32 0.00 -1.73 0.00 0.00 68.15 67.95 2qbj h THR 191 CO 0.35 0.00 -0.88 0.00 -0.25 0.00 0.00 175.52 174.74 2qbj n TYR 192 N -2.77 -1.53 0.00 4.73 0.18 -1.26 -5.13 117.16 111.38 2qbj n TYR 192 Ca -0.02 -2.89 0.00 0.00 1.88 0.00 0.00 57.90 56.87 2qbj n TYR 192 Cb 0.36 0.46 0.00 0.00 -0.38 0.00 0.00 39.34 39.77 2qbj n TYR 192 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2qbj n GLY 193 N 2.48 -1.88 3.70 -7.48 0.00 -1.21 -5.01 105.19 95.78 2qbj n GLY 193 Ca 0.24 -2.14 -0.23 0.00 0.00 0.00 0.00 46.02 43.89 2qbj n GLY 193 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qbj s VAL 194 N -0.38 3.26 -0.32 1.61 1.01 -1.26 0.37 120.40 124.70 2qbj s VAL 194 Ca 0.00 -1.78 -0.02 0.00 0.00 0.00 0.00 61.98 60.18 2qbj s VAL 194 Cb 0.00 -2.94 0.12 0.00 0.00 0.00 0.00 36.38 33.56 2qbj s VAL 194 CO 0.00 -0.27 0.19 -0.63 0.00 0.00 0.00 175.10 174.39 2qbj s ILE 195 N -2.37 -0.06 0.63 2.22 1.01 0.15 -4.82 121.20 117.96 2qbj s ILE 195 Ca 0.35 -1.05 -0.17 0.00 0.00 0.00 0.00 60.65 59.78 2qbj s ILE 195 Cb -0.04 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 2qbj s ILE 195 CO 0.21 -0.77 1.14 -0.83 0.00 0.00 0.00 174.94 174.69 2qbj s GLY 196 N 1.75 2.39 -0.12 6.18 0.00 -1.26 -2.31 107.32 113.95 2qbj s GLY 196 Ca 0.13 0.73 -0.05 0.00 0.00 0.00 0.00 44.72 45.52 2qbj s GLY 196 CO -0.22 1.10 0.27 0.14 0.00 0.00 0.00 173.10 174.39 2qbj s VAL 197 N -2.03 -0.21 -0.20 1.40 1.01 -0.87 0.79 120.40 120.28 2qbj s VAL 197 Ca 0.71 0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.87 2qbj s VAL 197 Cb -0.24 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.71 2qbj s VAL 197 CO 0.37 0.08 -0.09 -0.54 0.00 0.00 0.00 175.10 174.92 2qbj s LYS 198 N 1.79 3.27 -0.14 2.72 1.02 -0.77 -1.95 119.74 125.68 2qbj s LYS 198 Ca -0.05 -0.69 -0.06 0.00 0.02 0.00 0.00 55.97 55.20 2qbj s LYS 198 Cb -0.11 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 2qbj s LYS 198 CO -0.09 -0.16 0.07 0.14 -0.92 0.00 0.00 175.35 174.39 2qbj s VAL 199 N 1.32 4.89 -0.10 3.17 -7.23 -0.27 -2.55 120.40 119.63 2qbj s VAL 199 Ca 0.04 -0.01 0.03 0.00 -1.81 0.00 0.00 61.98 60.22 2qbj s VAL 199 Cb -0.14 -3.14 0.01 0.00 0.56 0.00 0.00 36.38 33.66 2qbj s VAL 199 CO -0.05 0.55 -0.19 0.26 -0.31 0.00 0.00 175.10 175.35 2qbj s TRP 200 N -0.37 2.22 -0.18 2.82 0.51 -0.84 -2.84 118.94 120.26 2qbj s TRP 200 Ca 0.09 -0.96 -0.03 0.00 -2.12 0.00 0.00 56.10 53.08 2qbj s TRP 200 Cb -0.12 -1.53 0.06 0.00 -0.81 0.00 0.00 33.47 31.07 2qbj s TRP 200 CO 0.02 -0.43 0.04 0.42 -0.51 0.00 0.00 176.95 176.48 2qbj s ILE 201 N 0.62 0.46 -0.88 2.03 1.01 -1.12 0.03 121.20 123.37 2qbj s ILE 201 Ca -0.14 -0.45 -0.20 0.00 0.00 0.00 0.00 60.65 59.87 2qbj s ILE 201 Cb -0.16 -0.94 0.11 0.00 0.01 0.00 0.00 42.46 41.47 2qbj s ILE 201 CO 0.04 -0.16 1.13 0.12 0.00 0.00 0.00 174.94 176.07 2qbj s PHE 202 N 1.89 2.94 0.00 3.97 5.36 0.35 -0.90 117.98 131.59 2qbj s PHE 202 Ca -0.00 -1.13 -0.24 0.00 -0.96 0.00 0.00 56.93 54.60 2qbj s PHE 202 Cb -0.16 -4.33 -0.15 0.00 -0.34 0.00 0.00 43.02 38.03 2qbj s PHE 202 CO -0.08 -1.58 1.13 0.87 -1.46 0.00 0.00 175.22 174.10 2qbj h LYS 203 N 9.12 -0.54 -2.20 10.12 1.57 -1.66 -1.14 116.57 131.85 2qbj h LYS 203 Ca 0.06 0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 2qbj h LYS 203 Cb 1.03 0.12 -0.20 0.00 0.08 0.00 0.00 32.23 33.27 2qbj h LYS 203 CO 1.16 -0.23 0.09 0.20 -0.57 0.00 0.00 179.45 180.11 2qbj s GLY 204 N -2.70 -0.50 0.00 3.86 0.00 -1.25 -4.14 107.32 102.59 2qbj s GLY 204 Ca -0.14 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.82 2qbj s GLY 204 CO 0.48 0.92 0.14 1.18 0.00 0.00 0.00 173.10 175.82 2qbj n GLU 205 N 1.25 0.00 0.00 2.90 -0.58 -1.26 -3.51 120.64 119.45 2qbj n GLU 205 Ca -0.19 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 2qbj n GLU 205 Cb 0.57 -0.64 0.00 0.00 -0.57 0.00 0.00 31.44 30.80 2qbj n GLU 205 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16