#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pqj s LYS 22 N 0.00 4.08 0.03 0.03 3.01 -1.01 -5.00 119.74 120.88 2pqj s LYS 22 Ca 0.00 -0.18 -0.26 0.00 -1.01 0.00 0.00 55.97 54.51 2pqj s LYS 22 Cb 0.00 -3.55 -0.05 0.00 -1.01 0.00 0.00 37.83 33.22 2pqj s LYS 22 CO 0.00 0.01 0.83 -0.06 0.51 0.00 0.00 175.35 176.64 2pqj s PHE 23 N 1.20 3.71 0.39 3.18 0.40 -1.26 -2.36 117.98 123.24 2pqj s PHE 23 Ca 0.10 1.53 -0.18 0.00 -0.60 0.00 0.00 56.93 57.78 2pqj s PHE 23 Cb -0.14 -2.91 -0.10 0.00 0.51 0.00 0.00 43.02 40.38 2pqj s PHE 23 CO 0.06 0.18 0.86 0.99 0.70 0.00 0.00 175.22 178.01 2pqj s THR 24 N 0.29 4.54 0.24 0.64 2.01 0.19 -4.93 115.64 118.62 2pqj s THR 24 Ca 0.42 1.19 -0.31 0.00 0.31 0.00 0.00 61.69 63.31 2pqj s THR 24 Cb -0.21 -3.62 -0.11 0.00 0.01 0.00 0.00 72.50 68.57 2pqj s THR 24 CO 0.24 -0.32 1.65 -1.61 -0.69 0.00 0.00 174.62 173.89 2pqj s GLU 25 N -3.24 4.14 0.58 4.92 2.02 -1.26 -4.56 118.70 121.31 2pqj s GLU 25 Ca 0.58 2.56 -0.18 0.00 0.02 0.00 0.00 54.97 57.94 2pqj s GLU 25 Cb -0.10 -3.07 -0.06 0.00 0.10 0.00 0.00 34.13 31.00 2pqj s GLU 25 CO 0.18 -0.68 0.79 -0.89 0.02 0.00 0.00 175.26 174.67 2pqj n ILE 26 N 3.25 3.10 -4.04 -1.63 2.08 -1.26 -4.75 119.36 116.10 2pqj n ILE 26 Ca 0.12 -0.50 -0.32 0.00 0.56 0.00 0.00 62.75 62.62 2pqj n ILE 26 Cb 0.37 -0.95 -0.15 0.00 -0.75 0.00 0.00 39.64 38.15 2pqj n ILE 26 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 2pqj s PHE 27 N -1.59 3.27 -1.06 1.39 5.99 -1.04 -5.04 117.98 119.90 2pqj s PHE 27 Ca 0.73 -2.40 -0.22 0.00 0.00 0.00 0.00 56.93 55.04 2pqj s PHE 27 Cb -0.43 -2.09 0.05 0.00 0.00 0.00 0.00 43.02 40.55 2pqj s PHE 27 CO 0.50 -0.88 1.54 -2.14 -0.00 0.00 0.00 175.22 174.23 2pqj s PRO 28 N 1.10 3.59 0.18 10.12 0.02 -1.26 -2.06 135.00 146.68 2pqj s PRO 28 Ca -0.05 -1.23 -0.14 0.00 0.02 0.00 0.00 61.00 59.61 2pqj s PRO 28 Cb -0.20 -5.37 0.16 0.00 0.02 0.00 0.00 34.50 29.12 2pqj s PRO 28 CO -0.06 -2.31 1.71 0.28 -0.33 0.00 0.00 177.00 176.29 2pqj h VAL 29 N 6.60 0.71 0.00 3.83 2.07 -1.79 -2.89 116.25 124.78 2pqj h VAL 29 Ca 0.24 -0.06 -0.10 0.00 0.82 0.00 0.00 66.70 67.59 2pqj h VAL 29 Cb 0.98 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2pqj h VAL 29 CO 1.42 0.03 -0.47 -0.33 0.02 0.00 0.00 177.57 178.24 2pqj h GLU 30 N 0.19 0.00 -6.35 1.57 5.08 -1.89 -3.42 114.58 109.76 2pqj h GLU 30 Ca 0.23 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.05 2pqj h GLU 30 Cb 0.32 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 2pqj h GLU 30 CO -0.33 0.47 1.13 0.34 -1.00 0.00 0.00 179.01 179.62 2pqj s ASP 31 N -6.68 6.03 0.00 1.42 2.15 -1.09 -4.86 116.67 113.63 2pqj s ASP 31 Ca -0.01 0.24 0.04 0.00 0.43 0.00 0.00 52.55 53.25 2pqj s ASP 31 Cb 0.12 -2.54 0.24 0.00 -0.30 0.00 0.00 42.92 40.43 2pqj s ASP 31 CO 0.72 -1.80 0.59 0.00 -0.17 0.00 0.00 175.17 174.51 2pqj n ALA 32 N 9.93 1.74 0.47 3.66 0.00 -1.26 -2.13 120.51 132.92 2pqj n ALA 32 Ca 0.13 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.66 2pqj n ALA 32 Cb 0.49 -1.06 0.13 0.00 0.00 0.00 0.00 19.45 19.01 2pqj n ALA 32 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2pqj h ASN 33 N 0.00 0.00 -3.78 0.00 2.35 -1.91 -3.44 115.58 108.80 2pqj h ASN 33 Ca 0.00 -0.18 -0.64 0.00 -0.55 0.00 0.00 56.30 54.94 2pqj h ASN 33 Cb 0.00 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.19 2pqj h ASN 33 CO 0.00 0.09 -0.54 -0.31 -1.65 0.00 0.00 177.43 175.01 2pqj s TYR 34 N -3.21 3.20 0.65 1.19 2.02 -0.91 -5.09 117.35 115.21 2pqj s TYR 34 Ca 0.05 0.01 -0.11 0.00 -0.37 0.00 0.00 57.07 56.64 2pqj s TYR 34 Cb 0.12 -2.32 -0.02 0.00 -0.40 0.00 0.00 41.96 39.34 2pqj s TYR 34 CO 0.74 -0.16 1.04 -2.14 -1.57 0.00 0.00 175.55 173.46 2pqj s PRO 35 N 1.59 3.31 0.18 -1.71 0.02 -1.26 -4.94 135.00 132.19 2pqj s PRO 35 Ca 0.07 0.86 -0.00 0.00 0.02 0.00 0.00 61.00 61.94 2pqj s PRO 35 Cb -0.15 -2.04 0.05 0.00 0.02 0.00 0.00 34.50 32.38 2pqj s PRO 35 CO 0.08 -0.80 1.43 -0.92 -0.33 0.00 0.00 177.00 176.46 2pqj h TYR 36 N -0.43 0.48 -0.86 6.54 3.20 -1.96 -3.17 116.97 120.77 2pqj h TYR 36 Ca -0.44 -0.22 0.05 0.00 3.14 0.00 0.00 58.73 61.26 2pqj h TYR 36 Cb 1.20 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 39.35 2pqj h TYR 36 CO 0.64 0.98 0.56 0.66 -1.64 0.00 0.00 178.16 179.37 2pqj h SER 37 N 0.23 0.88 -0.05 -2.11 4.64 -1.92 -2.08 113.55 113.15 2pqj h SER 37 Ca -0.03 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.26 2pqj h SER 37 Cb 1.34 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 2pqj h SER 37 CO 0.13 0.59 -0.06 0.00 -0.87 0.00 0.00 176.83 176.62 2pqj h ALA 38 N 1.52 0.07 -0.58 5.18 0.00 -1.94 -1.41 119.26 122.09 2pqj h ALA 38 Ca 0.36 -0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2pqj h ALA 38 Cb 0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 2pqj h ALA 38 CO -0.12 -0.12 -0.56 0.35 0.00 0.00 0.00 179.25 178.80 2pqj h PHE 39 N -0.35 -1.74 0.17 0.00 3.57 -1.48 0.55 116.94 117.66 2pqj h PHE 39 Ca 0.01 0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.62 2pqj h PHE 39 Cb 0.59 0.84 -0.03 0.00 2.79 0.00 0.00 35.95 40.13 2pqj h PHE 39 CO 0.10 -0.46 -0.32 0.82 -2.23 0.00 0.00 178.31 176.22 2pqj h ILE 40 N -0.28 0.31 -0.41 1.41 1.08 -1.40 -0.84 117.51 117.37 2pqj h ILE 40 Ca 0.10 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.63 2pqj h ILE 40 Cb 0.54 0.31 -0.09 0.00 -3.07 0.00 0.00 36.82 34.52 2pqj h ILE 40 CO -0.70 0.00 -0.52 0.00 -0.69 0.00 0.00 178.15 176.24 2pqj h ALA 41 N 0.03 -0.67 -0.65 1.87 0.00 -0.15 0.29 119.26 119.98 2pqj h ALA 41 Ca 0.02 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.08 2pqj h ALA 41 Cb 0.59 1.06 -0.10 0.00 0.00 0.00 0.00 17.79 19.33 2pqj h ALA 41 CO -0.16 -0.99 0.10 1.03 0.00 0.00 0.00 179.25 179.23 2pqj h SER 42 N -0.37 -0.09 -0.07 0.00 0.87 0.32 -1.91 113.55 112.30 2pqj h SER 42 Ca 0.10 0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.79 2pqj h SER 42 Cb 0.60 0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2pqj h SER 42 CO -0.60 -0.05 0.01 0.58 -0.53 0.00 0.00 176.83 176.25 2pqj h VAL 43 N 0.22 1.21 -0.50 2.23 2.07 0.45 -2.58 116.25 119.33 2pqj h VAL 43 Ca 0.35 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 67.30 2pqj h VAL 43 Cb 0.57 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 2pqj h VAL 43 CO -0.48 0.18 0.15 0.03 0.02 0.00 0.00 177.57 177.47 2pqj h ARG 44 N -0.12 0.31 -0.81 1.57 3.08 -0.65 0.20 114.38 117.96 2pqj h ARG 44 Ca 0.02 -0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.22 2pqj h ARG 44 Cb 0.28 -0.07 -0.11 0.00 0.08 0.00 0.00 29.97 30.15 2pqj h ARG 44 CO 0.00 0.20 0.33 0.87 -1.07 0.00 0.00 179.97 180.30 2pqj h LYS 45 N 0.31 0.42 -0.02 0.04 1.57 -1.23 0.71 116.57 118.38 2pqj h LYS 45 Ca 0.25 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 2pqj h LYS 45 Cb 0.29 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 2pqj h LYS 45 CO -0.28 0.28 0.00 -0.44 -0.57 0.00 0.00 179.45 178.45 2pqj h ASP 46 N 0.43 0.03 -0.38 0.86 3.45 -0.46 -3.08 116.42 117.29 2pqj h ASP 46 Ca 0.46 -0.24 0.04 0.00 0.43 0.00 0.00 57.03 57.72 2pqj h ASP 46 Cb 0.77 -0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.49 2pqj h ASP 46 CO -0.45 0.27 0.13 0.58 -1.57 0.00 0.00 179.24 178.20 2pqj h VAL 47 N -0.21 0.89 -0.75 -1.35 2.07 0.14 -2.62 116.25 114.43 2pqj h VAL 47 Ca 0.01 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.52 2pqj h VAL 47 Cb 0.25 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 2pqj h VAL 47 CO 0.00 0.05 0.49 0.40 0.02 0.00 0.00 177.57 178.54 2pqj h ILE 48 N 0.29 0.95 0.00 4.57 2.04 0.31 -0.55 117.51 125.12 2pqj h ILE 48 Ca 0.17 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2pqj h ILE 48 Cb 0.15 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2pqj h ILE 48 CO -0.17 0.12 0.52 0.11 0.00 0.00 0.00 178.15 178.74 2pqj h LYS 49 N 0.68 0.00 -0.09 2.37 1.57 -1.37 0.44 116.57 120.17 2pqj h LYS 49 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 2pqj h LYS 49 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 2pqj h LYS 49 CO -0.12 0.00 0.00 0.72 -0.57 0.00 0.00 179.45 179.48 2pqj n HIS 50 N -2.29 0.12 -2.88 -1.35 8.25 -0.21 -5.04 115.22 111.82 2pqj n HIS 50 Ca -0.01 -0.36 -0.19 0.00 -0.26 0.00 0.00 57.72 56.90 2pqj n HIS 50 Cb 0.54 -0.03 0.02 0.00 1.12 0.00 0.00 29.99 31.64 2pqj n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pqj s THR 52 N -2.51 1.77 -0.39 0.00 -4.23 -0.74 -4.89 115.64 104.65 2pqj s THR 52 Ca 0.55 -1.49 -0.28 0.00 -1.18 0.00 0.00 61.69 59.29 2pqj s THR 52 Cb -0.10 -1.59 0.02 0.00 1.34 0.00 0.00 72.50 72.17 2pqj s THR 52 CO 0.35 0.02 1.05 -0.62 -0.54 0.00 0.00 174.62 174.88 2pqj s ASP 53 N -1.76 6.76 -0.04 3.99 3.68 -1.26 -2.47 116.67 125.57 2pqj s ASP 53 Ca 0.08 0.72 -0.01 0.00 2.13 0.00 0.00 52.55 55.47 2pqj s ASP 53 Cb -0.10 -2.52 -0.04 0.00 -1.45 0.00 0.00 42.92 38.81 2pqj s ASP 53 CO 0.04 -1.00 0.05 -1.00 0.13 0.00 0.00 175.17 173.39 2pqj s HIS 54 N 3.86 3.24 0.17 -5.34 3.76 -1.26 -5.05 115.29 114.67 2pqj s HIS 54 Ca 0.44 0.21 -0.31 0.00 -0.15 0.00 0.00 55.06 55.26 2pqj s HIS 54 Cb -0.10 -1.76 -0.09 0.00 1.11 0.00 0.00 32.58 31.74 2pqj s HIS 54 CO 0.22 0.53 1.37 0.21 -0.85 0.00 0.00 174.74 176.21 2pqj s LYS 55 N -1.36 4.34 0.00 1.40 2.20 -1.26 -2.59 119.74 122.47 2pqj s LYS 55 Ca 0.18 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 57.91 2pqj s LYS 55 Cb -0.12 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.00 2pqj s LYS 55 CO 0.08 -0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 2pqj n GLY 56 N 2.81 0.76 3.20 5.54 0.00 -1.26 -4.78 105.19 111.45 2pqj n GLY 56 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2pqj n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pqj s ILE 57 N -3.21 3.05 0.11 -0.61 1.01 -1.07 -4.17 121.20 116.31 2pqj s ILE 57 Ca 0.00 -1.22 -0.33 0.00 0.00 0.00 0.00 60.65 59.10 2pqj s ILE 57 Cb 0.00 -2.68 -0.12 0.00 0.01 0.00 0.00 42.46 39.66 2pqj s ILE 57 CO 0.00 -0.01 1.58 -0.26 0.00 0.00 0.00 174.94 176.25 2pqj h PHE 58 N 8.03 -1.28 -4.04 3.97 -1.00 -1.92 -3.42 116.94 117.28 2pqj h PHE 58 Ca -0.25 0.03 -0.45 0.00 2.81 0.00 0.00 57.97 60.11 2pqj h PHE 58 Cb 1.08 0.53 -0.02 0.00 3.61 0.00 0.00 35.95 41.16 2pqj h PHE 58 CO 0.60 -0.56 0.35 -0.65 -1.61 0.00 0.00 178.31 176.44 2pqj s GLN 59 N -5.88 4.23 0.18 1.51 1.11 -1.26 -5.00 119.66 114.54 2pqj s GLN 59 Ca -0.17 1.17 -0.33 0.00 0.01 0.00 0.00 55.36 56.05 2pqj s GLN 59 Cb 0.07 -2.24 -0.13 0.00 -1.01 0.00 0.00 33.01 29.70 2pqj s GLN 59 CO 0.62 -0.04 1.68 -2.30 0.01 0.00 0.00 175.29 175.26 2pqj n PRO 60 N -0.54 2.51 -3.10 2.91 -0.02 -1.26 -4.66 135.00 130.85 2pqj n PRO 60 Ca 0.07 0.91 -0.40 0.00 -2.02 0.00 0.00 63.50 62.06 2pqj n PRO 60 Cb 0.53 -2.73 -0.05 0.00 -0.02 0.00 0.00 33.50 31.24 2pqj n PRO 60 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2pqj s VAL 61 N 1.24 5.05 0.99 -1.45 1.01 -1.03 -2.72 120.40 123.49 2pqj s VAL 61 Ca 0.77 1.31 -0.11 0.00 0.00 0.00 0.00 61.98 63.95 2pqj s VAL 61 Cb -0.58 -3.98 0.19 0.00 0.00 0.00 0.00 36.38 32.01 2pqj s VAL 61 CO 0.35 0.21 1.10 -0.76 0.00 0.00 0.00 175.10 176.00 2pqj s LEU 62 N 1.16 2.12 0.53 3.92 1.43 -0.66 -1.79 118.68 125.39 2pqj s LEU 62 Ca 0.33 1.90 -0.22 0.00 -1.03 0.00 0.00 54.13 55.11 2pqj s LEU 62 Cb -0.17 -4.13 -0.06 0.00 0.03 0.00 0.00 46.19 41.87 2pqj s LEU 62 CO 0.14 -3.42 1.37 -2.65 0.23 0.00 0.00 176.35 172.02 2pqj n PRO 63 N -4.42 1.79 -2.20 1.29 -0.02 -1.26 -4.77 135.00 125.40 2pqj n PRO 63 Ca 0.08 0.65 -0.39 0.00 -2.02 0.00 0.00 63.50 61.83 2pqj n PRO 63 Cb 0.53 -2.58 -0.01 0.00 -0.02 0.00 0.00 33.50 31.42 2pqj n PRO 63 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2pqj s PRO 64 N -2.79 4.01 0.50 0.52 0.04 -1.26 -4.47 135.00 131.54 2pqj s PRO 64 Ca 0.70 1.95 -0.22 0.00 0.04 0.00 0.00 61.00 63.47 2pqj s PRO 64 Cb -0.42 -2.70 -0.06 0.00 0.04 0.00 0.00 34.50 31.36 2pqj s PRO 64 CO 0.51 -0.39 1.21 -2.00 0.04 0.00 0.00 177.00 176.37 2pqj s GLU 65 N -2.29 3.51 -0.07 4.56 2.12 -1.26 -4.90 118.70 120.37 2pqj s GLU 65 Ca 0.57 1.88 -0.05 0.00 0.36 0.00 0.00 54.97 57.73 2pqj s GLU 65 Cb -0.33 -2.30 0.03 0.00 0.26 0.00 0.00 34.13 31.79 2pqj s GLU 65 CO 0.42 -0.79 0.18 0.15 -0.54 0.00 0.00 175.26 174.69 2pqj s LYS 66 N -2.85 0.16 0.39 4.30 1.02 -1.26 -5.03 119.74 116.47 2pqj s LYS 66 Ca 0.67 0.36 0.23 0.00 0.02 0.00 0.00 55.97 57.25 2pqj s LYS 66 Cb -0.31 -0.06 1.31 0.00 -0.52 0.00 0.00 37.83 38.26 2pqj s LYS 66 CO 0.37 -0.11 1.61 1.57 -0.92 0.00 0.00 175.35 177.87 2pqj h LYS 67 N 6.70 0.10 -4.65 1.68 5.09 -2.07 -2.90 116.57 120.52 2pqj h LYS 67 Ca -0.36 -0.01 -0.67 0.00 0.09 0.00 0.00 60.65 59.71 2pqj h LYS 67 Cb 1.17 -0.02 -0.38 0.00 0.10 0.00 0.00 32.23 33.09 2pqj h LYS 67 CO 0.40 0.07 -0.68 0.08 -2.09 0.00 0.00 179.45 177.23 2pqj s VAL 68 N -5.48 2.57 0.30 0.07 1.01 -1.26 -5.09 120.40 112.53 2pqj s VAL 68 Ca -0.09 -2.19 -0.30 0.00 0.00 0.00 0.00 61.98 59.41 2pqj s VAL 68 Cb 0.32 -2.82 -0.12 0.00 0.00 0.00 0.00 36.38 33.76 2pqj s VAL 68 CO 0.80 -0.57 1.46 -0.81 0.00 0.00 0.00 175.10 175.98 2pqj n PRO 69 N 4.37 2.40 -0.04 2.72 -0.04 -1.10 -4.99 135.00 138.33 2pqj n PRO 69 Ca 0.01 0.85 -0.02 0.00 -0.04 0.00 0.00 63.50 64.30 2pqj n PRO 69 Cb 0.42 -2.55 -0.01 0.00 -0.04 0.00 0.00 33.50 31.32 2pqj n PRO 69 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2pqj h GLU 70 N 3.84 0.00 -6.32 0.54 9.09 -1.94 -3.47 114.58 116.33 2pqj h GLU 70 Ca -0.47 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.40 2pqj h GLU 70 Cb 1.25 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.32 2pqj h GLU 70 CO 0.72 0.00 0.21 -0.51 0.05 0.00 0.00 179.01 179.48 2pqj s LEU 71 N -6.73 4.42 0.10 3.06 1.43 -1.26 -4.57 118.68 115.14 2pqj s LEU 71 Ca -0.06 1.49 0.07 0.00 -1.03 0.00 0.00 54.13 54.60 2pqj s LEU 71 Cb 0.01 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 2pqj s LEU 71 CO 0.09 -0.06 -0.18 0.26 0.23 0.00 0.00 176.35 176.70 2pqj s TRP 72 N 0.24 1.58 -0.33 0.29 0.52 -1.26 -2.56 118.94 117.42 2pqj s TRP 72 Ca 0.42 -0.45 0.01 0.00 0.02 0.00 0.00 56.10 56.09 2pqj s TRP 72 Cb -0.21 -0.86 0.08 0.00 -1.15 0.00 0.00 33.47 31.34 2pqj s TRP 72 CO 0.24 0.17 0.03 -1.17 0.02 0.00 0.00 176.95 176.24 2pqj s LEU 73 N -2.01 4.34 -0.60 2.99 2.96 0.10 -2.40 118.68 124.07 2pqj s LEU 73 Ca 0.05 -1.73 -0.19 0.00 -0.22 0.00 0.00 54.13 52.05 2pqj s LEU 73 Cb -0.09 -1.68 0.11 0.00 0.50 0.00 0.00 46.19 45.03 2pqj s LEU 73 CO 0.04 -0.34 0.71 -0.31 -1.32 0.00 0.00 176.35 175.13 2pqj s TYR 74 N 1.09 3.01 -0.33 5.38 1.51 -0.99 -1.69 117.35 125.33 2pqj s TYR 74 Ca 0.02 -0.99 -0.02 0.00 -1.01 0.00 0.00 57.07 55.07 2pqj s TYR 74 Cb -0.20 -4.02 0.07 0.00 -0.11 0.00 0.00 41.96 37.70 2pqj s TYR 74 CO -0.05 -1.30 0.06 0.95 -1.11 0.00 0.00 175.55 174.10 2pqj s THR 75 N 2.65 3.04 0.19 -0.71 -4.23 -0.35 0.57 115.64 116.80 2pqj s THR 75 Ca 0.12 -1.61 -0.19 0.00 -1.18 0.00 0.00 61.69 58.83 2pqj s THR 75 Cb -0.24 -2.87 -0.08 0.00 1.34 0.00 0.00 72.50 70.66 2pqj s THR 75 CO 0.06 -0.29 0.68 -0.70 -0.54 0.00 0.00 174.62 173.83 2pqj s GLU 76 N 1.21 4.22 -0.12 3.99 2.12 -1.26 -0.35 118.70 128.50 2pqj s GLU 76 Ca -0.01 0.80 0.03 0.00 0.36 0.00 0.00 54.97 56.15 2pqj s GLU 76 Cb -0.20 -2.95 0.01 0.00 0.26 0.00 0.00 34.13 31.24 2pqj s GLU 76 CO -0.02 0.45 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.42 2pqj s LEU 77 N -1.83 2.03 0.01 2.70 1.43 0.28 -2.49 118.68 120.81 2pqj s LEU 77 Ca 0.40 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 53.00 2pqj s LEU 77 Cb -0.17 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 2pqj s LEU 77 CO 0.21 0.09 -0.16 -1.59 0.23 0.00 0.00 176.35 175.13 2pqj s LYS 78 N 0.70 1.21 0.40 1.70 -2.85 -0.88 -1.07 119.74 118.95 2pqj s LYS 78 Ca -0.11 -0.67 0.04 0.00 -1.00 0.00 0.00 55.97 54.23 2pqj s LYS 78 Cb -0.16 -1.20 0.04 0.00 -2.06 0.00 0.00 37.83 34.44 2pqj s LYS 78 CO 0.02 0.32 0.30 0.25 0.10 0.00 0.00 175.35 176.34 2pqj n THR 79 N 2.37 0.00 -0.19 3.79 -2.24 0.51 -1.98 114.28 116.55 2pqj n THR 79 Ca -0.16 -1.59 -0.07 0.00 -2.27 0.00 0.00 64.05 59.96 2pqj n THR 79 Cb 0.54 -0.16 0.03 0.00 -2.10 0.00 0.00 70.33 68.64 2pqj n THR 79 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2pqj h ARG 80 N 0.00 0.76 0.03 -0.78 2.47 -1.99 -3.27 114.38 111.60 2pqj h ARG 80 Ca -0.25 -0.08 -0.30 0.00 -1.26 0.00 0.00 59.98 58.08 2pqj h ARG 80 Cb 0.93 -0.15 -0.04 0.00 -1.65 0.00 0.00 29.97 29.06 2pqj h ARG 80 CO 0.40 0.58 -1.70 1.15 0.56 0.00 0.00 179.97 180.96 2pqj h THR 81 N 0.74 0.88 -2.84 2.04 2.02 -2.02 -3.50 112.91 110.24 2pqj h THR 81 Ca 0.20 -2.70 -0.10 0.00 0.77 0.00 0.00 66.41 64.58 2pqj h THR 81 Cb 0.03 2.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 2pqj h THR 81 CO -0.03 0.60 0.01 -0.24 0.37 0.00 0.00 175.52 176.23 2pqj n SER 82 N -3.16 -0.88 -3.54 4.18 2.88 -1.24 -5.13 113.62 106.73 2pqj n SER 82 Ca -0.18 -1.92 -0.12 0.00 -1.33 0.00 0.00 58.87 55.32 2pqj n SER 82 Cb 1.04 1.56 -0.05 0.00 -0.75 0.00 0.00 64.21 66.02 2pqj n SER 82 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2pqj s SER 83 N -2.10 -0.45 0.08 -3.46 1.04 -1.26 0.19 113.70 107.74 2pqj s SER 83 Ca 0.12 0.38 0.02 0.00 0.48 0.00 0.00 55.95 56.95 2pqj s SER 83 Cb -0.01 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 2pqj s SER 83 CO 0.09 -0.50 -0.07 0.27 0.98 0.00 0.00 173.24 174.01 2pqj s ILE 84 N -1.69 0.63 -0.17 -1.02 -4.36 -0.23 -3.52 121.20 110.84 2pqj s ILE 84 Ca -0.03 -1.71 -0.04 0.00 -0.26 0.00 0.00 60.65 58.62 2pqj s ILE 84 Cb -0.00 -1.40 -0.02 0.00 1.25 0.00 0.00 42.46 42.28 2pqj s ILE 84 CO 0.01 -0.76 -0.04 -0.89 0.24 0.00 0.00 174.94 173.50 2pqj s THR 85 N -3.07 3.81 -0.03 8.37 2.01 -0.31 -0.55 115.64 125.86 2pqj s THR 85 Ca 0.06 -0.38 -0.22 0.00 0.31 0.00 0.00 61.69 61.46 2pqj s THR 85 Cb 0.02 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.80 2pqj s THR 85 CO -0.04 0.48 0.63 -0.76 -0.69 0.00 0.00 174.62 174.24 2pqj s LEU 86 N 0.56 4.37 -0.43 4.42 1.43 0.53 -0.38 118.68 129.18 2pqj s LEU 86 Ca -0.03 1.16 -0.09 0.00 -1.03 0.00 0.00 54.13 54.13 2pqj s LEU 86 Cb -0.14 -2.98 0.08 0.00 0.03 0.00 0.00 46.19 43.18 2pqj s LEU 86 CO 0.03 0.01 0.27 0.00 0.23 0.00 0.00 176.35 176.88 2pqj s ALA 87 N 0.27 3.31 -0.04 4.21 0.00 0.13 -1.21 121.76 128.43 2pqj s ALA 87 Ca 0.33 -2.18 0.07 0.00 0.00 0.00 0.00 51.96 50.18 2pqj s ALA 87 Cb -0.18 -2.69 -0.01 0.00 0.00 0.00 0.00 23.12 20.24 2pqj s ALA 87 CO 0.17 -1.67 -0.24 0.42 0.00 0.00 0.00 175.76 174.44 2pqj s ILE 88 N 1.43 1.93 -0.08 0.00 1.01 -0.68 -0.21 121.20 124.60 2pqj s ILE 88 Ca 0.03 -1.02 -0.21 0.00 0.00 0.00 0.00 60.65 59.46 2pqj s ILE 88 Cb -0.23 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 2pqj s ILE 88 CO 0.02 0.54 0.58 0.00 0.00 0.00 0.00 174.94 176.09 2pqj s ARG 89 N -0.35 4.37 0.13 2.79 1.70 0.04 0.03 118.95 127.66 2pqj s ARG 89 Ca 0.03 0.66 -0.17 0.00 -0.47 0.00 0.00 55.73 55.79 2pqj s ARG 89 Cb -0.11 -3.43 -0.01 0.00 -0.57 0.00 0.00 34.95 30.83 2pqj s ARG 89 CO 0.01 0.15 1.70 0.52 -1.08 0.00 0.00 175.30 176.60 2pqj h MET 90 N 6.56 0.54 -1.40 3.89 2.86 -1.82 -0.91 114.93 124.66 2pqj h MET 90 Ca -0.42 -0.09 0.41 0.00 -2.06 0.00 0.00 59.70 57.55 2pqj h MET 90 Cb 1.19 -0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.68 2pqj h MET 90 CO 0.75 0.50 0.98 0.38 1.06 0.00 0.00 176.91 180.57 2pqj h ASP 91 N 0.46 0.10 0.00 1.22 2.03 -1.78 -2.38 116.42 116.06 2pqj h ASP 91 Ca 0.13 0.03 -0.14 0.00 -0.73 0.00 0.00 57.03 56.32 2pqj h ASP 91 Cb 0.14 0.02 -0.26 0.00 -0.83 0.00 0.00 39.33 38.41 2pqj h ASP 91 CO -0.01 -0.02 -0.71 -0.46 -1.03 0.00 0.00 179.24 177.01 2pqj n ASN 92 N -4.26 0.22 -4.39 4.15 0.23 -1.19 -4.46 115.26 105.55 2pqj n ASN 92 Ca 0.32 -1.96 -0.35 0.00 -0.53 0.00 0.00 54.58 52.07 2pqj n ASN 92 Cb 1.43 -0.08 -0.09 0.00 -2.08 0.00 0.00 39.78 38.96 2pqj n ASN 92 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2pqj n LEU 93 N 0.28 -0.91 -4.76 -4.53 4.77 -0.36 -4.92 117.00 106.56 2pqj n LEU 93 Ca -0.06 -1.26 -0.36 0.00 -0.03 0.00 0.00 56.01 54.30 2pqj n LEU 93 Cb 0.94 -1.59 -0.08 0.00 -2.33 0.00 0.00 43.42 40.36 2pqj n LEU 93 CO -0.07 0.34 -0.24 -0.47 -1.33 0.00 0.00 177.39 175.62 2pqj s TYR 94 N -3.98 3.36 -0.36 -1.77 5.04 -1.10 -4.81 117.35 113.73 2pqj s TYR 94 Ca 0.30 0.32 -0.27 0.00 -2.44 0.00 0.00 57.07 54.98 2pqj s TYR 94 Cb -0.17 -1.90 0.02 0.00 0.35 0.00 0.00 41.96 40.26 2pqj s TYR 94 CO 1.01 0.54 0.97 -1.17 -1.34 0.00 0.00 175.55 175.55 2pqj s LEU 95 N -0.76 3.96 0.08 6.97 2.96 -1.26 -0.78 118.68 129.85 2pqj s LEU 95 Ca 0.12 0.70 0.22 0.00 -0.22 0.00 0.00 54.13 54.95 2pqj s LEU 95 Cb -0.12 -3.34 -0.16 0.00 0.50 0.00 0.00 46.19 43.07 2pqj s LEU 95 CO 0.03 -0.87 0.75 0.52 -1.32 0.00 0.00 176.35 175.46 2pqj n VAL 96 N 5.97 0.41 -1.55 1.68 0.31 0.71 -4.88 118.33 120.98 2pqj n VAL 96 Ca 0.08 -0.55 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 2pqj n VAL 96 Cb 0.48 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 2pqj n VAL 96 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pqj n GLY 97 N 1.25 -1.77 3.26 2.92 0.00 -0.96 -2.42 105.19 107.45 2pqj n GLY 97 Ca -0.03 -1.12 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 2pqj n GLY 97 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pqj s PHE 98 N -2.44 1.15 -0.08 1.61 -0.12 -0.78 0.21 117.98 117.53 2pqj s PHE 98 Ca 0.00 -1.35 0.03 0.00 -0.05 0.00 0.00 56.93 55.56 2pqj s PHE 98 Cb 0.00 -0.49 0.01 0.00 -0.63 0.00 0.00 43.02 41.90 2pqj s PHE 98 CO 0.00 -0.72 -0.18 0.50 -0.05 0.00 0.00 175.22 174.77 2pqj s ARG 99 N -4.03 2.38 0.59 1.99 3.52 0.49 -1.49 118.95 122.41 2pqj s ARG 99 Ca 0.37 -0.65 -0.09 0.00 -0.13 0.00 0.00 55.73 55.23 2pqj s ARG 99 Cb 0.05 -1.86 -0.04 0.00 -1.56 0.00 0.00 34.95 31.55 2pqj s ARG 99 CO 0.14 0.10 0.97 0.95 -0.81 0.00 0.00 175.30 176.65 2pqj s THR 100 N 0.52 4.70 0.24 4.11 -4.23 -0.22 -1.16 115.64 119.60 2pqj s THR 100 Ca -0.16 0.68 -0.05 0.00 -1.18 0.00 0.00 61.69 60.98 2pqj s THR 100 Cb -0.17 -3.85 0.22 0.00 1.34 0.00 0.00 72.50 70.04 2pqj s THR 100 CO 0.06 -1.05 1.70 -0.65 -0.54 0.00 0.00 174.62 174.14 2pqj h PRO 101 N -0.19 0.29 -0.19 3.99 0.11 -1.80 -0.36 132.00 133.85 2pqj h PRO 101 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2pqj h PRO 101 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2pqj h PRO 101 CO 0.62 0.19 0.00 0.41 -0.21 0.00 0.00 178.00 179.01 2pqj n GLY 102 N -1.34 0.01 2.14 -0.55 0.00 -1.26 -4.81 105.19 99.37 2pqj n GLY 102 Ca 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 2pqj n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pqj n GLY 103 N 0.09 0.67 3.84 -0.02 0.00 -0.14 -5.04 105.19 104.59 2pqj n GLY 103 Ca 0.00 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 2pqj n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pqj s VAL 104 N -2.11 5.10 -0.20 1.61 1.01 -1.25 -4.88 120.40 119.68 2pqj s VAL 104 Ca 0.00 0.75 -0.05 0.00 0.00 0.00 0.00 61.98 62.68 2pqj s VAL 104 Cb 0.00 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2pqj s VAL 104 CO 0.00 0.58 -0.01 0.26 0.00 0.00 0.00 175.10 175.93 2pqj s TRP 105 N -1.07 3.02 -0.24 5.22 0.52 -1.26 -1.05 118.94 124.07 2pqj s TRP 105 Ca 0.22 -0.53 -0.07 0.00 0.02 0.00 0.00 56.10 55.75 2pqj s TRP 105 Cb -0.16 -2.07 -0.03 0.00 -1.15 0.00 0.00 33.47 30.06 2pqj s TRP 105 CO 0.12 -0.27 0.05 -1.58 0.02 0.00 0.00 176.95 175.28 2pqj s TRP 106 N 1.01 3.07 -0.13 -1.98 0.52 -0.55 -1.19 118.94 119.69 2pqj s TRP 106 Ca 0.01 -0.49 -0.00 0.00 0.02 0.00 0.00 56.10 55.64 2pqj s TRP 106 Cb -0.14 -2.21 -0.02 0.00 -1.15 0.00 0.00 33.47 29.95 2pqj s TRP 106 CO 0.01 -0.37 -0.11 -2.00 0.02 0.00 0.00 176.95 174.50 2pqj s GLU 107 N 1.53 3.37 0.07 4.98 2.12 -1.26 -1.86 118.70 127.64 2pqj s GLU 107 Ca 0.06 -0.65 -0.33 0.00 0.36 0.00 0.00 54.97 54.40 2pqj s GLU 107 Cb -0.15 -2.66 -0.12 0.00 0.26 0.00 0.00 34.13 31.46 2pqj s GLU 107 CO 0.02 0.26 1.75 1.19 -0.54 0.00 0.00 175.26 177.94 2pqj n PHE 108 N 3.41 2.39 0.00 5.30 3.01 -1.02 -0.33 117.46 130.23 2pqj n PHE 108 Ca -0.18 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.34 2pqj n PHE 108 Cb 0.53 -2.64 0.00 0.00 -0.01 0.00 0.00 39.48 37.36 2pqj n PHE 108 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pqj n GLY 109 N 3.97 2.91 3.70 1.37 0.00 -0.58 -4.81 105.19 111.75 2pqj n GLY 109 Ca 0.19 -1.42 -0.23 0.00 0.00 0.00 0.00 46.02 44.56 2pqj n GLY 109 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqj s LYS 110 N -2.09 2.32 0.16 1.61 1.02 -1.26 -0.13 119.74 121.38 2pqj s LYS 110 Ca 0.00 -1.54 -0.32 0.00 0.02 0.00 0.00 55.97 54.13 2pqj s LYS 110 Cb 0.00 -2.14 -0.11 0.00 -0.52 0.00 0.00 37.83 35.06 2pqj s LYS 110 CO 0.00 0.17 1.71 -0.51 -0.92 0.00 0.00 175.35 175.80 2pqj s ASP 111 N -3.79 6.46 0.00 2.83 1.11 -1.26 -2.47 116.67 119.55 2pqj s ASP 111 Ca 0.36 2.75 0.00 0.00 0.18 0.00 0.00 52.55 55.84 2pqj s ASP 111 Cb -0.03 -2.59 0.00 0.00 1.07 0.00 0.00 42.92 41.37 2pqj s ASP 111 CO 0.22 -0.94 0.00 0.61 1.18 0.00 0.00 175.17 176.24 2pqj n GLY 112 N 3.99 1.36 3.45 0.21 0.00 -1.26 -5.08 105.19 107.86 2pqj n GLY 112 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2pqj n GLY 112 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pqj s ASP 113 N -0.64 -0.04 0.02 1.61 1.01 -1.03 -5.01 116.67 112.58 2pqj s ASP 113 Ca 0.00 0.75 0.01 0.00 0.71 0.00 0.00 52.55 54.03 2pqj s ASP 113 Cb 0.00 -1.06 -0.04 0.00 1.01 0.00 0.00 42.92 42.83 2pqj s ASP 113 CO 0.00 -4.73 0.05 -0.89 0.21 0.00 0.00 175.17 169.81 2pqj s THR 114 N -2.65 4.44 0.25 -1.27 2.01 -1.26 -5.03 115.64 112.12 2pqj s THR 114 Ca 0.70 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.99 2pqj s THR 114 Cb -0.12 -3.05 -0.08 0.00 0.01 0.00 0.00 72.50 69.27 2pqj s THR 114 CO 0.57 0.29 0.60 -1.00 -0.69 0.00 0.00 174.62 174.39 2pqj s HIS 115 N -1.21 3.42 -0.07 4.92 3.76 -1.26 -4.98 115.29 119.87 2pqj s HIS 115 Ca 0.23 0.97 0.09 0.00 -0.15 0.00 0.00 55.06 56.21 2pqj s HIS 115 Cb -0.12 -2.34 -0.13 0.00 1.11 0.00 0.00 32.58 31.11 2pqj s HIS 115 CO 0.15 0.23 0.09 1.28 -0.85 0.00 0.00 174.74 175.64 2pqj n LEU 116 N -0.15 0.00 0.00 0.89 4.77 -1.26 -5.07 117.00 116.18 2pqj n LEU 116 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2pqj n LEU 116 Cb 0.53 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2pqj n LEU 116 CO 0.44 0.16 0.00 0.18 -1.33 0.00 0.00 177.39 176.84 2pqj n LEU 117 N -2.20 0.00 0.00 2.23 4.77 -1.26 -5.03 117.00 115.52 2pqj n LEU 117 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 2pqj n LEU 117 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 2pqj n LEU 117 CO 0.20 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.74 2pqj n GLY 118 N 5.00 1.00 0.00 -0.72 0.00 -1.26 -4.86 105.19 104.35 2pqj n GLY 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2pqj n GLY 118 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2pqj n ASP 119 N 0.00 0.00 -2.65 1.61 5.68 -1.26 -5.07 116.55 114.86 2pqj n ASP 119 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2pqj n ASP 119 Cb 0.03 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 2pqj n ASP 119 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2pqj n ASN 120 N 0.00 -6.00 -4.48 -1.12 0.23 -1.26 -4.59 115.26 98.03 2pqj n ASN 120 Ca 0.00 0.59 -0.24 0.00 -0.53 0.00 0.00 54.58 54.41 2pqj n ASN 120 Cb 0.00 -1.30 -0.10 0.00 -2.08 0.00 0.00 39.78 36.30 2pqj n ASN 120 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2pqj s PRO 121 N -0.37 1.68 -0.41 -0.53 0.04 -1.26 -4.34 135.00 129.80 2pqj s PRO 121 Ca 0.00 -1.81 0.03 0.00 0.04 0.00 0.00 61.00 59.25 2pqj s PRO 121 Cb 0.00 -1.60 0.12 0.00 0.04 0.00 0.00 34.50 33.06 2pqj s PRO 121 CO 0.00 0.21 0.16 1.03 0.04 0.00 0.00 177.00 178.44 2pqj s ARG 122 N -3.59 1.42 -0.12 4.56 0.52 -0.33 -4.96 118.95 116.46 2pqj s ARG 122 Ca 0.30 -1.96 -0.24 0.00 -0.52 0.00 0.00 55.73 53.32 2pqj s ARG 122 Cb -0.01 -2.81 -0.11 0.00 0.52 0.00 0.00 34.95 32.54 2pqj s ARG 122 CO 0.14 -1.04 0.72 0.91 0.02 0.00 0.00 175.30 176.05 2pqj n TRP 123 N 3.90 0.62 0.46 -0.53 7.02 -1.26 -4.22 117.44 123.41 2pqj n TRP 123 Ca 0.04 0.61 0.11 0.00 -1.02 0.00 0.00 57.50 57.24 2pqj n TRP 123 Cb 0.38 -1.19 0.45 0.00 -2.42 0.00 0.00 31.31 28.52 2pqj n TRP 123 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2pqj n LEU 124 N 1.41 0.50 0.00 -0.99 4.77 0.55 -4.88 117.00 118.37 2pqj n LEU 124 Ca 0.14 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 2pqj n LEU 124 Cb 0.01 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 2pqj n LEU 124 CO 0.41 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 2pqj n GLY 125 N 0.15 2.90 3.19 -0.72 0.00 0.82 -4.89 105.19 106.64 2pqj n GLY 125 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2pqj n GLY 125 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pqj s PHE 126 N -2.69 -0.12 1.10 1.61 -0.12 -1.20 -4.62 117.98 111.94 2pqj s PHE 126 Ca 0.00 0.18 -0.15 0.00 -0.05 0.00 0.00 56.93 56.90 2pqj s PHE 126 Cb 0.00 0.05 0.24 0.00 -0.63 0.00 0.00 43.02 42.68 2pqj s PHE 126 CO 0.00 -0.34 1.09 0.20 -0.05 0.00 0.00 175.22 176.13 2pqj s GLY 127 N -1.23 1.56 -0.57 1.99 0.00 -1.26 -1.53 107.32 106.28 2pqj s GLY 127 Ca -0.13 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 43.99 2pqj s GLY 127 CO 0.03 0.13 1.60 0.61 0.00 0.00 0.00 173.10 175.47 2pqj n GLY 128 N -0.90 5.93 3.84 0.20 0.00 -1.26 -4.60 105.19 108.40 2pqj n GLY 128 Ca 0.08 -2.56 -0.21 0.00 0.00 0.00 0.00 46.02 43.33 2pqj n GLY 128 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pqj s ARG 129 N -3.77 2.69 0.22 1.61 0.52 -1.26 -4.94 118.95 114.02 2pqj s ARG 129 Ca 0.54 -1.32 -0.07 0.00 -0.52 0.00 0.00 55.73 54.36 2pqj s ARG 129 Cb 0.44 -2.45 0.20 0.00 0.52 0.00 0.00 34.95 33.66 2pqj s ARG 129 CO -0.16 0.09 1.78 1.88 0.02 0.00 0.00 175.30 178.91 2pqj h TYR 130 N 1.27 1.16 -0.63 -0.53 0.05 -1.95 -1.19 116.97 115.15 2pqj h TYR 130 Ca -0.45 -0.10 0.02 0.00 0.05 0.00 0.00 58.73 58.26 2pqj h TYR 130 Cb 1.25 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 38.62 2pqj h TYR 130 CO 0.54 0.89 0.41 1.96 -1.05 0.00 0.00 178.16 180.92 2pqj h GLN 131 N 1.09 0.77 -0.31 4.88 7.50 -1.94 0.38 115.11 127.48 2pqj h GLN 131 Ca 0.25 -0.05 -0.14 0.00 0.50 0.00 0.00 58.65 59.21 2pqj h GLN 131 Cb 0.25 -0.17 -0.00 0.00 0.05 0.00 0.00 27.48 27.60 2pqj h GLN 131 CO -0.01 0.51 -0.34 -0.44 -1.50 0.00 0.00 178.83 177.05 2pqj h ASP 132 N 0.79 0.84 0.27 1.46 3.32 -1.67 0.36 116.42 121.79 2pqj h ASP 132 Ca 0.24 -0.48 -0.34 0.00 0.02 0.00 0.00 57.03 56.47 2pqj h ASP 132 Cb -0.01 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.31 2pqj h ASP 132 CO -0.06 1.15 -1.71 -0.07 -1.72 0.00 0.00 179.24 176.83 2pqj h LEU 133 N 0.55 0.53 -5.20 1.55 3.38 -0.91 -3.43 115.31 111.78 2pqj h LEU 133 Ca 0.05 -0.80 -0.31 0.00 0.09 0.00 0.00 57.88 56.90 2pqj h LEU 133 Cb 0.92 -0.17 -0.26 0.00 0.09 0.00 0.00 40.66 41.24 2pqj h LEU 133 CO 0.08 1.68 -0.74 2.30 0.09 0.00 0.00 178.44 181.85 2pqj n ILE 134 N -3.53 0.20 -0.99 1.22 -5.35 0.13 -4.72 119.36 106.32 2pqj n ILE 134 Ca -0.23 -2.47 -0.35 0.00 -0.27 0.00 0.00 62.75 59.43 2pqj n ILE 134 Cb 1.07 0.80 0.08 0.00 -1.74 0.00 0.00 39.64 39.84 2pqj n ILE 134 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pqj n GLY 135 N -0.05 -2.84 4.36 3.28 0.00 0.12 -2.01 105.19 108.05 2pqj n GLY 135 Ca 0.08 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2pqj n GLY 135 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pqj n ASN 136 N 0.69 0.00 -4.66 1.61 4.05 -1.26 -4.91 115.26 110.78 2pqj n ASN 136 Ca 0.05 0.00 -0.25 0.00 0.45 0.00 0.00 54.58 54.83 2pqj n ASN 136 Cb 0.53 -1.87 -0.07 0.00 1.23 0.00 0.00 39.78 39.60 2pqj n ASN 136 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 2pqj s LYS 137 N -0.48 2.38 -0.09 1.20 2.20 -0.85 -5.12 119.74 118.97 2pqj s LYS 137 Ca 0.00 -1.21 -0.03 0.00 -0.36 0.00 0.00 55.97 54.37 2pqj s LYS 137 Cb 0.00 -2.30 -0.03 0.00 -1.51 0.00 0.00 37.83 33.99 2pqj s LYS 137 CO 0.00 0.42 0.04 0.20 -0.36 0.00 0.00 175.35 175.65 2pqj s GLY 138 N -3.21 1.94 0.65 5.54 0.00 -1.26 -4.98 107.32 106.00 2pqj s GLY 138 Ca 0.29 -0.76 0.07 0.00 0.00 0.00 0.00 44.72 44.31 2pqj s GLY 138 CO 0.19 -0.52 1.14 1.41 0.00 0.00 0.00 173.10 175.32 2pqj h LEU 139 N 5.11 0.00 -2.62 0.66 4.07 -1.94 0.39 115.31 120.99 2pqj h LEU 139 Ca -0.52 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.44 2pqj h LEU 139 Cb 1.20 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.94 2pqj h LEU 139 CO 0.55 0.00 -0.01 1.05 -1.08 0.00 0.00 178.44 178.95 2pqj h GLU 140 N 0.00 0.00 0.05 1.13 9.09 -1.86 -2.35 114.58 120.64 2pqj h GLU 140 Ca 0.07 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.19 2pqj h GLU 140 Cb 1.98 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 29.05 2pqj h GLU 140 CO -0.00 0.01 -1.50 1.79 0.05 0.00 0.00 179.01 179.36 2pqj h THR 141 N 0.00 1.14 -2.52 -1.06 1.35 -0.53 -3.40 112.91 107.89 2pqj h THR 141 Ca -0.00 -2.89 -0.54 0.00 -0.55 0.00 0.00 66.41 62.44 2pqj h THR 141 Cb 0.08 2.64 0.01 0.00 -1.73 0.00 0.00 68.15 69.15 2pqj h THR 141 CO 0.00 0.74 1.13 -0.69 -0.25 0.00 0.00 175.52 176.45 2pqj s VAL 142 N -2.63 3.19 0.10 6.82 1.01 -0.88 -4.96 120.40 123.05 2pqj s VAL 142 Ca -0.06 0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 2pqj s VAL 142 Cb 0.08 -3.23 -0.07 0.00 0.00 0.00 0.00 36.38 33.17 2pqj s VAL 142 CO 0.83 -0.02 0.55 0.42 0.00 0.00 0.00 175.10 176.88 2pqj s THR 143 N 3.87 4.80 0.11 3.92 -4.23 -1.26 -4.67 115.64 118.18 2pqj s THR 143 Ca 0.80 1.04 0.01 0.00 -1.18 0.00 0.00 61.69 62.36 2pqj s THR 143 Cb -0.39 -3.82 -0.04 0.00 1.34 0.00 0.00 72.50 69.59 2pqj s THR 143 CO 0.35 0.43 -0.03 -0.04 -0.54 0.00 0.00 174.62 174.79 2pqj s MET 144 N -1.46 0.86 0.00 3.99 -1.94 0.69 -4.89 119.30 116.56 2pqj s MET 144 Ca 0.32 -1.37 0.00 0.00 -1.71 0.00 0.00 55.69 52.93 2pqj s MET 144 Cb -0.17 -0.09 0.00 0.00 2.01 0.00 0.00 34.83 36.58 2pqj s MET 144 CO 0.19 -0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.52 2pqj n GLY 145 N -0.06 2.48 0.24 -0.03 0.00 -1.26 0.49 105.19 107.04 2pqj n GLY 145 Ca -0.10 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2pqj n GLY 145 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pqj h ARG 146 N 0.00 0.05 0.53 1.61 2.43 -1.65 0.41 114.38 117.77 2pqj h ARG 146 Ca 0.00 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2pqj h ARG 146 Cb 0.00 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2pqj h ARG 146 CO 0.00 0.04 -0.32 0.00 -1.51 0.00 0.00 179.97 178.18 2pqj h ALA 147 N 1.60 -1.15 -1.00 2.80 0.00 -1.91 0.14 119.26 119.74 2pqj h ALA 147 Ca 0.32 -0.17 0.28 0.00 0.00 0.00 0.00 54.91 55.34 2pqj h ALA 147 Cb 0.51 0.42 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 2pqj h ALA 147 CO -0.59 -1.12 0.57 0.93 0.00 0.00 0.00 179.25 179.05 2pqj h GLU 148 N -0.79 0.44 0.00 0.00 4.39 -1.78 0.77 114.58 117.61 2pqj h GLU 148 Ca -0.07 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 2pqj h GLU 148 Cb 0.63 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2pqj h GLU 148 CO 0.08 0.29 -0.45 1.98 -1.16 0.00 0.00 179.01 179.75 2pqj h MET 149 N 0.45 0.00 0.03 2.33 4.05 0.10 0.23 114.93 122.12 2pqj h MET 149 Ca 0.68 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.99 2pqj h MET 149 Cb 1.43 0.00 0.01 0.00 -0.80 0.00 0.00 31.60 32.24 2pqj h MET 149 CO -0.54 0.45 -0.45 1.15 0.23 0.00 0.00 176.91 177.74 2pqj h THR 150 N 0.00 1.52 -0.33 -0.77 2.02 0.32 -2.07 112.91 113.59 2pqj h THR 150 Ca -0.00 -2.14 0.07 0.00 0.77 0.00 0.00 66.41 65.11 2pqj h THR 150 Cb 1.07 2.85 -0.07 0.00 -1.74 0.00 0.00 68.15 70.25 2pqj h THR 150 CO 0.06 0.60 -0.16 0.03 0.37 0.00 0.00 175.52 176.42 2pqj h ARG 151 N -0.39 -0.10 -0.03 6.66 3.08 0.01 -2.41 114.38 121.20 2pqj h ARG 151 Ca -0.06 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.03 2pqj h ARG 151 Cb 1.23 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.26 2pqj h ARG 151 CO 0.09 -0.07 -0.21 0.00 -1.07 0.00 0.00 179.97 178.71 2pqj h ALA 152 N 1.14 -0.25 0.54 0.04 0.00 -0.94 -1.68 119.26 118.12 2pqj h ALA 152 Ca 0.17 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2pqj h ALA 152 Cb 0.37 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2pqj h ALA 152 CO -0.40 -0.70 -0.27 0.28 0.00 0.00 0.00 179.25 178.16 2pqj h VAL 153 N -0.32 0.44 -0.32 0.00 2.07 -1.10 -0.01 116.25 117.00 2pqj h VAL 153 Ca 0.07 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.66 2pqj h VAL 153 Cb 0.41 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 2pqj h VAL 153 CO -0.21 0.00 -0.14 0.78 0.02 0.00 0.00 177.57 178.02 2pqj h ASN 154 N -0.75 -0.47 -0.90 0.57 -0.26 -1.44 -0.65 115.58 111.68 2pqj h ASN 154 Ca -0.07 0.12 0.06 0.00 -0.56 0.00 0.00 56.30 55.84 2pqj h ASN 154 Cb 0.58 0.27 -0.06 0.00 -1.06 0.00 0.00 38.32 38.05 2pqj h ASN 154 CO 0.11 -0.17 0.59 -0.78 -1.06 0.00 0.00 177.43 176.12 2pqj h ASP 155 N -0.08 0.91 0.82 5.81 1.82 -1.20 -1.75 116.42 122.75 2pqj h ASP 155 Ca 0.16 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.81 2pqj h ASP 155 Cb 0.33 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.15 2pqj h ASP 155 CO -0.38 0.59 -0.13 0.18 -1.61 0.00 0.00 179.24 177.90 2pqj n LEU 156 N -4.48 0.15 0.04 2.28 4.77 -0.03 -3.08 117.00 116.65 2pqj n LEU 156 Ca 0.13 0.34 0.05 0.00 -0.03 0.00 0.00 56.01 56.50 2pqj n LEU 156 Cb 0.18 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.79 2pqj n LEU 156 CO 0.33 0.04 -0.32 0.00 -1.33 0.00 0.00 177.39 176.11 2pqj n ALA 157 N -1.46 2.22 -1.51 -1.18 0.00 -0.35 -4.14 120.51 114.08 2pqj n ALA 157 Ca 0.07 -0.49 -0.32 0.00 0.00 0.00 0.00 53.44 52.71 2pqj n ALA 157 Cb 0.33 -0.93 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 2pqj n ALA 157 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pqj n LYS 158 N -2.72 3.40 -4.42 0.00 5.02 -0.83 -4.56 118.16 114.05 2pqj n LYS 158 Ca -0.07 -2.41 -0.24 0.00 -2.02 0.00 0.00 58.31 53.57 2pqj n LYS 158 Cb 0.73 -2.45 -0.17 0.00 -0.02 0.00 0.00 35.03 33.12 2pqj n LYS 158 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2pqj s LYS 159 N 0.04 1.46 0.00 1.97 2.20 -1.26 -5.01 119.74 119.14 2pqj s LYS 159 Ca 0.62 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.91 2pqj s LYS 159 Cb 0.25 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.30 2pqj s LYS 159 CO -0.09 -0.02 0.00 0.36 -0.36 0.00 0.00 175.35 175.23 2pqj n LYS 160 N 3.97 0.00 -1.23 4.03 -0.00 -1.26 -5.00 118.16 118.66 2pqj n LYS 160 Ca -0.23 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.25 2pqj n LYS 160 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 35.03 35.50 2pqj n LYS 160 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2pqj n LYS 161 N -1.16 -2.52 -3.47 -1.58 5.02 -1.26 -5.13 118.16 108.07 2pqj n LYS 161 Ca 0.00 1.71 -0.26 0.00 -2.02 0.00 0.00 58.31 57.74 2pqj n LYS 161 Cb 0.00 -3.06 -0.09 0.00 -0.02 0.00 0.00 35.03 31.86 2pqj n LYS 161 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pqj n ALA 192 N -2.33 3.09 -0.88 7.82 0.00 -1.26 -5.23 120.51 121.73 2pqj n ALA 192 Ca -0.00 -3.80 0.08 0.00 0.00 0.00 0.00 53.44 49.72 2pqj n ALA 192 Cb 0.56 -0.86 0.27 0.00 0.00 0.00 0.00 19.45 19.43 2pqj n ALA 192 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pqj n ASP 193 N 1.93 4.01 -0.45 0.00 8.00 -1.26 -4.00 116.55 124.78 2pqj n ASP 193 Ca 0.25 -2.87 0.10 0.00 0.71 0.00 0.00 54.79 52.98 2pqj n ASP 193 Cb 0.45 -0.52 -0.00 0.00 -0.02 0.00 0.00 41.12 41.02 2pqj n ASP 193 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2pqj n THR 194 N -0.21 0.00 0.07 -3.53 -2.24 -1.26 -3.89 114.28 103.22 2pqj n THR 194 Ca 0.21 -0.30 -0.08 0.00 -2.27 0.00 0.00 64.05 61.61 2pqj n THR 194 Cb 0.87 1.23 -0.05 0.00 -2.10 0.00 0.00 70.33 70.29 2pqj n THR 194 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2pqj h LYS 195 N 2.21 -0.26 -0.05 -0.78 1.57 -1.94 -2.17 116.57 115.16 2pqj h LYS 195 Ca 0.00 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.81 2pqj h LYS 195 Cb 0.67 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 2pqj h LYS 195 CO 0.00 0.02 0.18 0.66 -0.57 0.00 0.00 179.45 179.75 2pqj h SER 196 N -1.00 0.00 0.16 0.86 4.64 -1.79 -0.22 113.55 116.20 2pqj h SER 196 Ca -0.03 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.02 2pqj h SER 196 Cb 0.40 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2pqj h SER 196 CO 0.04 0.00 -1.31 0.11 -0.87 0.00 0.00 176.83 174.80 2pqj h LYS 197 N 0.00 0.34 -0.45 4.77 1.79 -1.67 -3.30 116.57 118.04 2pqj h LYS 197 Ca 0.02 -0.58 -0.06 0.00 -2.18 0.00 0.00 60.65 57.85 2pqj h LYS 197 Cb 0.39 0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 2pqj h LYS 197 CO -0.00 1.28 0.03 -0.07 -1.08 0.00 0.00 179.45 179.61 2pqj h LEU 198 N -0.18 0.76 -2.95 2.94 3.38 -0.43 -3.03 115.31 115.80 2pqj h LEU 198 Ca -0.26 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2pqj h LEU 198 Cb 1.86 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 2pqj h LEU 198 CO 0.14 0.86 0.00 1.62 0.09 0.00 0.00 178.44 181.15 2pqj h VAL 199 N 0.63 0.04 0.00 1.22 3.04 -1.27 0.35 116.25 120.27 2pqj h VAL 199 Ca 0.13 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.82 2pqj h VAL 199 Cb 0.45 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2pqj h VAL 199 CO 0.02 0.00 -0.01 0.11 -1.01 0.00 0.00 177.57 176.67 2pqj h LYS 200 N 0.00 0.01 -0.36 4.17 1.57 -1.61 -2.97 116.57 117.38 2pqj h LYS 200 Ca 0.00 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2pqj h LYS 200 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 2pqj h LYS 200 CO -0.00 0.96 0.15 -0.07 -0.57 0.00 0.00 179.45 179.91 2pqj h LEU 201 N -0.94 0.45 0.19 2.94 3.38 -1.32 0.53 115.31 120.54 2pqj h LEU 201 Ca -0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2pqj h LEU 201 Cb 0.96 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2pqj h LEU 201 CO 0.00 0.41 -0.09 0.58 0.09 0.00 0.00 178.44 179.43 2pqj h VAL 202 N 0.50 0.81 0.02 1.22 2.07 -0.40 0.46 116.25 120.94 2pqj h VAL 202 Ca 0.13 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 2pqj h VAL 202 Cb 0.10 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2pqj h VAL 202 CO -0.01 0.00 -0.01 0.58 0.02 0.00 0.00 177.57 178.15 2pqj h VAL 203 N -0.26 1.40 0.03 2.57 2.07 -1.25 0.08 116.25 120.87 2pqj h VAL 203 Ca -0.03 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 66.21 2pqj h VAL 203 Cb 0.20 2.27 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 2pqj h VAL 203 CO 0.04 0.33 -0.26 0.24 0.02 0.00 0.00 177.57 177.95 2pqj h MET 204 N -0.60 -0.40 0.00 1.57 2.07 0.07 -2.30 114.93 115.35 2pqj h MET 204 Ca -0.00 0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 2pqj h MET 204 Cb 0.57 0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.39 2pqj h MET 204 CO 0.00 -0.26 -0.22 0.28 1.07 0.00 0.00 176.91 177.78 2pqj h VAL 205 N -0.41 0.00 0.37 -2.22 2.07 -0.14 -3.19 116.25 112.74 2pqj h VAL 205 Ca 0.06 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.56 2pqj h VAL 205 Cb 0.48 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2pqj h VAL 205 CO -0.21 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.20 2pqj h GLU 207 N -0.62 0.00 -0.37 0.00 4.39 -1.23 -1.98 114.58 114.76 2pqj h GLU 207 Ca -0.05 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 2pqj h GLU 207 Cb 0.46 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 2pqj h GLU 207 CO 0.08 0.29 -0.07 0.78 -1.16 0.00 0.00 179.01 178.93 2pqj h GLY 208 N 1.69 0.67 1.08 -3.84 0.00 -1.29 0.37 103.07 101.75 2pqj h GLY 208 Ca -0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 46.70 2pqj h GLY 208 CO 0.04 0.42 -0.50 1.41 0.00 0.00 0.00 176.54 177.90 2pqj h LEU 209 N 0.57 0.90 -0.04 3.11 3.38 -0.68 -3.34 115.31 119.21 2pqj h LEU 209 Ca 0.11 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 2pqj h LEU 209 Cb 0.47 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2pqj h LEU 209 CO 0.03 1.27 -0.21 0.03 0.09 0.00 0.00 178.44 179.64 2pqj h ARG 210 N 0.56 0.22 -5.65 1.13 3.08 -1.07 -3.40 114.38 109.25 2pqj h ARG 210 Ca 0.01 -0.18 -0.66 0.00 0.07 0.00 0.00 59.98 59.23 2pqj h ARG 210 Cb 1.11 0.04 -0.15 0.00 0.08 0.00 0.00 29.97 31.05 2pqj h ARG 210 CO 0.11 0.83 -0.59 -0.06 -1.07 0.00 0.00 179.97 179.19 2pqj s PHE 211 N -3.59 3.23 0.10 3.04 0.40 0.13 -0.24 117.98 121.04 2pqj s PHE 211 Ca -0.15 0.15 -0.15 0.00 -0.60 0.00 0.00 56.93 56.18 2pqj s PHE 211 Cb 0.02 -1.91 -0.09 0.00 0.51 0.00 0.00 43.02 41.55 2pqj s PHE 211 CO 0.74 0.36 1.41 -0.91 0.70 0.00 0.00 175.22 177.52 2pqj h ASN 212 N 5.75 0.73 -0.50 1.36 2.35 -1.07 -2.47 115.58 121.72 2pqj h ASN 212 Ca -0.45 -0.48 0.15 0.00 -0.55 0.00 0.00 56.30 54.97 2pqj h ASN 212 Cb 1.19 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 39.33 2pqj h ASN 212 CO 0.60 1.06 0.40 0.00 -1.65 0.00 0.00 177.43 177.84 2pqj h THR 213 N 0.41 0.63 0.08 2.81 1.03 -1.71 0.89 112.91 117.05 2pqj h THR 213 Ca 0.04 0.00 -0.31 0.00 -0.01 0.00 0.00 66.41 66.14 2pqj h THR 213 Cb 0.86 0.71 -0.02 0.00 -1.07 0.00 0.00 68.15 68.63 2pqj h THR 213 CO 0.07 0.00 -1.66 0.58 -0.01 0.00 0.00 175.52 174.50 2pqj h VAL 214 N 0.00 0.78 0.00 0.00 2.07 -1.81 -3.11 116.25 114.17 2pqj h VAL 214 Ca 0.24 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.47 2pqj h VAL 214 Cb 1.03 2.42 0.00 0.00 -1.52 0.00 0.00 31.29 33.22 2pqj h VAL 214 CO -0.00 0.65 0.00 -1.54 0.02 0.00 0.00 177.57 176.70 2pqj n SER 215 N -3.89 0.24 -0.08 0.57 3.41 -0.79 -0.92 113.62 112.17 2pqj n SER 215 Ca -0.31 0.58 -0.23 0.00 -0.26 0.00 0.00 58.87 58.65 2pqj n SER 215 Cb 0.89 -0.62 -0.12 0.00 -0.26 0.00 0.00 64.21 64.10 2pqj n SER 215 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pqj n ARG 216 N -1.79 0.64 0.05 4.33 5.12 0.24 -2.80 116.66 122.46 2pqj n ARG 216 Ca 0.02 0.38 -0.04 0.00 -1.93 0.00 0.00 57.85 56.28 2pqj n ARG 216 Cb 0.13 -1.67 0.17 0.00 -1.16 0.00 0.00 32.46 29.93 2pqj n ARG 216 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 2pqj h THR 217 N -0.53 1.31 -0.02 0.55 2.02 -1.44 -2.03 112.91 112.76 2pqj h THR 217 Ca -0.45 -1.55 -0.15 0.00 0.77 0.00 0.00 66.41 65.03 2pqj h THR 217 Cb 1.66 1.64 0.01 0.00 -1.74 0.00 0.00 68.15 69.72 2pqj h THR 217 CO -0.13 0.47 -0.57 0.58 0.37 0.00 0.00 175.52 176.25 2pqj h VAL 218 N 0.31 1.42 -0.66 3.16 2.07 -1.21 -2.88 116.25 118.46 2pqj h VAL 218 Ca 0.03 -2.03 -0.02 0.00 0.82 0.00 0.00 66.70 65.50 2pqj h VAL 218 Cb 0.86 2.53 -0.03 0.00 -1.52 0.00 0.00 31.29 33.13 2pqj h VAL 218 CO 0.07 0.59 0.32 -0.78 0.02 0.00 0.00 177.57 177.79 2pqj h ASP 219 N -0.09 0.85 -0.52 0.57 3.58 -1.50 -0.19 116.42 119.13 2pqj h ASP 219 Ca -0.07 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.28 2pqj h ASP 219 Cb 1.27 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 42.07 2pqj h ASP 219 CO 0.11 0.74 0.34 0.00 -2.88 0.00 0.00 179.24 177.56 2pqj h ALA 220 N 1.15 1.70 -0.29 -0.78 0.00 -1.42 -2.96 119.26 116.65 2pqj h ALA 220 Ca 0.23 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2pqj h ALA 220 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2pqj h ALA 220 CO -0.03 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2pqj n GLY 221 N -1.47 3.42 0.36 0.00 0.00 -1.04 -4.71 105.19 101.75 2pqj n GLY 221 Ca 0.05 -0.69 0.02 0.00 0.00 0.00 0.00 46.02 45.40 2pqj n GLY 221 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pqj h PHE 222 N 1.81 1.06 -0.61 1.61 -0.00 -0.86 -2.32 116.94 117.63 2pqj h PHE 222 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.97 58.00 2pqj h PHE 222 Cb 1.07 -0.35 0.00 0.00 -0.00 0.00 0.00 35.95 36.66 2pqj h PHE 222 CO 0.34 0.60 0.00 0.09 -0.00 0.00 0.00 178.31 179.35 2pqj n ASN 223 N -4.45 5.21 -4.76 0.41 3.02 -1.26 -1.68 115.26 111.75 2pqj n ASN 223 Ca 0.12 -2.68 -0.40 0.00 -0.03 0.00 0.00 54.58 51.59 2pqj n ASN 223 Cb 0.12 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 38.61 2pqj n ASN 223 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2pqj s SER 224 N -0.82 7.29 0.09 6.41 0.15 -0.87 -4.96 113.70 120.98 2pqj s SER 224 Ca 0.52 2.22 -0.21 0.00 0.70 0.00 0.00 55.95 59.18 2pqj s SER 224 Cb 0.37 -2.62 -0.11 0.00 -1.71 0.00 0.00 66.02 61.94 2pqj s SER 224 CO 0.20 -0.12 1.66 -0.61 1.20 0.00 0.00 173.24 175.57 2pqj h GLN 225 N 3.79 0.17 0.00 5.44 4.15 -1.93 -2.55 115.11 124.18 2pqj h GLN 225 Ca -0.47 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.93 2pqj h GLN 225 Cb 1.21 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.87 2pqj h GLN 225 CO 0.67 0.22 0.00 0.72 -1.93 0.00 0.00 178.83 178.51 2pqj n HIS 226 N -4.94 0.00 -3.56 3.99 8.25 -1.26 -5.01 115.22 112.69 2pqj n HIS 226 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2pqj n HIS 226 Cb 0.09 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.20 2pqj n HIS 226 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2pqj n GLY 227 N 0.70 -1.98 2.93 -1.41 0.00 -0.96 -4.95 105.19 99.51 2pqj n GLY 227 Ca 0.13 -1.38 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 2pqj n GLY 227 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pqj s VAL 228 N -0.18 0.01 0.11 1.61 0.11 0.18 -4.80 120.40 117.44 2pqj s VAL 228 Ca 0.00 -0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2pqj s VAL 228 Cb 0.00 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.71 2pqj s VAL 228 CO 0.00 -0.03 -0.09 0.42 -3.33 0.00 0.00 175.10 172.07 2pqj s THR 229 N -0.07 0.93 0.72 5.04 -4.23 -1.26 -0.22 115.64 116.54 2pqj s THR 229 Ca -0.01 -1.88 -0.10 0.00 -1.18 0.00 0.00 61.69 58.53 2pqj s THR 229 Cb -0.01 -1.62 0.04 0.00 1.34 0.00 0.00 72.50 72.25 2pqj s THR 229 CO 0.00 -0.73 1.08 -0.76 -0.54 0.00 0.00 174.62 173.67 2pqj s LEU 230 N -2.88 2.81 0.35 4.79 1.43 -1.26 -5.01 118.68 118.90 2pqj s LEU 230 Ca 0.11 0.81 -0.08 0.00 -1.03 0.00 0.00 54.13 53.94 2pqj s LEU 230 Cb 0.02 -3.49 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 2pqj s LEU 230 CO -0.01 -1.53 0.67 0.42 0.23 0.00 0.00 176.35 176.13 2pqj s THR 231 N -3.35 4.88 0.14 5.49 -4.23 -1.26 -4.50 115.64 112.81 2pqj s THR 231 Ca 0.59 0.40 -0.24 0.00 -1.18 0.00 0.00 61.69 61.26 2pqj s THR 231 Cb -0.11 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 69.99 2pqj s THR 231 CO 0.48 -0.41 1.28 0.52 -0.54 0.00 0.00 174.62 175.95 2pqj n VAL 232 N -1.07 -0.55 0.00 2.29 0.31 -1.26 -0.65 118.33 117.40 2pqj n VAL 232 Ca 0.01 2.00 -0.10 0.00 -0.01 0.00 0.00 64.34 66.24 2pqj n VAL 232 Cb 0.54 -2.50 -0.03 0.00 -0.91 0.00 0.00 33.84 30.94 2pqj n VAL 232 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 2pqj h THR 233 N 0.00 0.43 -0.41 2.52 2.02 -1.98 -2.35 112.91 113.14 2pqj h THR 233 Ca 0.16 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.41 2pqj h THR 233 Cb 0.36 0.43 -0.09 0.00 -1.74 0.00 0.00 68.15 67.11 2pqj h THR 233 CO -0.79 0.00 -0.42 1.56 0.37 0.00 0.00 175.52 176.24 2pqj h GLN 234 N -0.30 -0.31 -0.37 6.66 4.20 -1.26 -0.12 115.11 123.61 2pqj h GLN 234 Ca 0.10 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.89 2pqj h GLN 234 Cb 0.45 0.07 -0.08 0.00 0.30 0.00 0.00 27.48 28.22 2pqj h GLN 234 CO -0.30 -0.21 -0.50 0.78 -0.67 0.00 0.00 178.83 177.93 2pqj h GLY 235 N -0.32 -0.81 -0.42 3.46 0.00 -0.87 0.83 103.07 104.92 2pqj h GLY 235 Ca 0.14 0.64 0.08 0.00 0.00 0.00 0.00 47.33 48.19 2pqj h GLY 235 CO -0.57 -0.16 -0.43 0.07 0.00 0.00 0.00 176.54 175.45 2pqj h LYS 236 N -0.39 -0.25 -0.56 4.80 -0.00 -0.80 0.29 116.57 119.65 2pqj h LYS 236 Ca 0.10 0.02 0.09 0.00 -0.00 0.00 0.00 60.65 60.85 2pqj h LYS 236 Cb 0.60 0.06 -0.07 0.00 -0.00 0.00 0.00 32.23 32.82 2pqj h LYS 236 CO -0.57 -0.17 0.18 1.96 -0.00 0.00 0.00 179.45 180.86 2pqj h GLN 237 N -0.26 0.33 -0.52 0.07 4.20 0.42 -0.39 115.11 118.96 2pqj h GLN 237 Ca 0.17 -0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.87 2pqj h GLN 237 Cb 0.57 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 2pqj h GLN 237 CO -0.65 0.22 0.35 0.28 -0.67 0.00 0.00 178.83 178.36 2pqj h VAL 238 N 0.34 1.10 -0.04 -0.54 2.07 0.28 -0.90 116.25 118.57 2pqj h VAL 238 Ca 0.28 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2pqj h VAL 238 Cb 0.36 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 2pqj h VAL 238 CO -0.31 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.40 2pqj n GLN 239 N -4.46 1.14 -0.51 1.57 6.02 0.79 -3.07 117.38 118.86 2pqj n GLN 239 Ca 0.05 -0.21 0.07 0.00 -0.01 0.00 0.00 57.00 56.90 2pqj n GLN 239 Cb 0.09 -1.26 0.14 0.00 1.02 0.00 0.00 30.24 30.23 2pqj n GLN 239 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2pqj n LYS 240 N -0.53 1.14 -0.15 -1.09 4.76 -0.35 -4.78 118.16 117.16 2pqj n LYS 240 Ca 0.12 -2.67 -0.03 0.00 -2.87 0.00 0.00 58.31 52.85 2pqj n LYS 240 Cb 0.10 -1.28 0.04 0.00 -1.84 0.00 0.00 35.03 32.05 2pqj n LYS 240 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 2pqj h TRP 241 N 0.55 -0.16 -0.36 2.13 7.01 -1.51 0.93 115.95 124.53 2pqj h TRP 241 Ca -0.03 0.04 0.07 0.00 2.11 0.00 0.00 58.89 61.08 2pqj h TRP 241 Cb 1.15 0.14 -0.09 0.00 -2.10 0.00 0.00 29.16 28.26 2pqj h TRP 241 CO 0.36 -0.17 -0.39 -0.44 -2.79 0.00 0.00 178.44 175.01 2pqj h ASP 242 N 0.04 -1.30 -0.25 2.65 5.19 -1.89 -1.53 116.42 119.33 2pqj h ASP 242 Ca 0.23 0.20 -0.08 0.00 -0.62 0.00 0.00 57.03 56.76 2pqj h ASP 242 Cb 0.35 0.57 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 2pqj h ASP 242 CO -0.45 -0.36 -0.16 0.03 -3.12 0.00 0.00 179.24 175.18 2pqj h ARG 243 N -0.33 0.54 -0.32 3.56 -0.00 -1.64 -2.23 114.38 113.97 2pqj h ARG 243 Ca 0.14 -0.25 0.06 0.00 -0.50 0.00 0.00 59.98 59.43 2pqj h ARG 243 Cb 0.58 -0.01 -0.06 0.00 0.00 0.00 0.00 29.97 30.48 2pqj h ARG 243 CO -0.54 0.82 -0.04 0.82 0.00 0.00 0.00 179.97 181.03 2pqj h ILE 244 N 0.26 0.72 -0.74 2.04 2.04 -0.74 -1.53 117.51 119.56 2pqj h ILE 244 Ca 0.05 -0.02 0.14 0.00 1.00 0.00 0.00 64.86 66.04 2pqj h ILE 244 Cb 0.68 0.67 -0.10 0.00 -0.74 0.00 0.00 36.82 37.34 2pqj h ILE 244 CO 0.04 0.01 0.27 0.28 0.00 0.00 0.00 178.15 178.75 2pqj h SER 245 N 0.05 0.21 -0.23 1.72 0.02 -1.12 0.72 113.55 114.91 2pqj h SER 245 Ca 0.16 0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 2pqj h SER 245 Cb 0.23 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 2pqj h SER 245 CO -0.30 0.07 0.08 0.11 -1.14 0.00 0.00 176.83 175.65 2pqj h LYS 246 N 0.39 0.43 0.00 3.45 6.56 -0.69 -1.25 116.57 125.47 2pqj h LYS 246 Ca 0.41 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.94 2pqj h LYS 246 Cb 0.63 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.22 2pqj h LYS 246 CO -0.42 0.39 0.00 0.00 -2.06 0.00 0.00 179.45 177.36 2pqj h ALA 247 N 1.67 1.00 -0.17 3.86 0.00 -0.00 -1.05 119.26 124.57 2pqj h ALA 247 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2pqj h ALA 247 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2pqj h ALA 247 CO -0.01 0.00 -0.54 0.00 0.00 0.00 0.00 179.25 178.71 2pqj h ALA 248 N 2.36 0.76 -0.02 0.00 0.00 -0.10 0.26 119.26 122.51 2pqj h ALA 248 Ca 0.00 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 2pqj h ALA 248 Cb 0.76 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2pqj h ALA 248 CO 0.00 0.69 -0.24 0.74 0.00 0.00 0.00 179.25 180.43 2pqj h PHE 249 N 0.38 0.29 -0.67 0.00 -1.00 -1.22 -2.44 116.94 112.27 2pqj h PHE 249 Ca 0.01 -0.14 0.09 0.00 2.81 0.00 0.00 57.97 60.74 2pqj h PHE 249 Cb 1.06 -0.04 -0.07 0.00 3.61 0.00 0.00 35.95 40.51 2pqj h PHE 249 CO 0.04 0.90 0.31 1.49 -1.61 0.00 0.00 178.31 179.44 2pqj h GLU 250 N -0.40 0.53 0.00 1.51 4.81 -1.08 -0.56 114.58 119.39 2pqj h GLU 250 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2pqj h GLU 250 Cb 0.94 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.21 2pqj h GLU 250 CO 0.05 0.35 0.00 -1.49 -0.73 0.00 0.00 179.01 177.19 2pqj h TRP 251 N 0.54 0.00 -0.28 0.92 6.55 -0.46 -0.28 115.95 122.94 2pqj h TRP 251 Ca 0.33 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 60.02 2pqj h TRP 251 Cb 0.36 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.66 2pqj h TRP 251 CO -0.12 0.00 -0.43 0.00 -1.05 0.00 0.00 178.44 176.84 2pqj h ALA 252 N 2.01 0.43 0.23 1.49 0.00 -0.60 -1.13 119.26 121.69 2pqj h ALA 252 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 2pqj h ALA 252 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2pqj h ALA 252 CO 0.00 0.56 -0.11 -0.44 0.00 0.00 0.00 179.25 179.25 2pqj h ASP 253 N 0.54 -0.27 -3.22 0.00 3.45 -1.18 -3.41 116.42 112.34 2pqj h ASP 253 Ca 0.03 0.01 -0.67 0.00 0.43 0.00 0.00 57.03 56.82 2pqj h ASP 253 Cb 1.03 0.07 -0.38 0.00 -0.56 0.00 0.00 39.33 39.49 2pqj h ASP 253 CO 0.10 -0.07 -0.28 -1.00 -1.57 0.00 0.00 179.24 176.42 2pqj s HIS 254 N -2.81 3.79 0.35 4.55 3.76 -0.16 -4.92 115.29 119.84 2pqj s HIS 254 Ca -0.05 -3.17 0.18 0.00 -0.15 0.00 0.00 55.06 51.87 2pqj s HIS 254 Cb 0.00 -3.03 0.97 0.00 1.11 0.00 0.00 32.58 31.63 2pqj s HIS 254 CO 0.14 -0.66 1.48 -1.35 -0.85 0.00 0.00 174.74 173.50 2pqj h PRO 255 N 5.73 0.00 0.12 8.40 0.11 -1.42 -0.40 132.00 144.54 2pqj h PRO 255 Ca 0.16 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.91 2pqj h PRO 255 Cb 0.78 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.88 2pqj h PRO 255 CO 0.80 0.00 -1.93 1.79 -0.21 0.00 0.00 178.00 178.46 2pqj h THR 256 N 0.00 0.69 -0.57 -1.15 1.35 -1.91 -3.43 112.91 107.89 2pqj h THR 256 Ca 0.00 -2.41 -0.45 0.00 -0.55 0.00 0.00 66.41 63.00 2pqj h THR 256 Cb 0.81 2.53 0.03 0.00 -1.73 0.00 0.00 68.15 69.79 2pqj h THR 256 CO 0.00 0.85 0.06 0.00 -0.25 0.00 0.00 175.52 176.18 2pqj n ALA 257 N -2.92 -2.17 -2.69 6.62 0.00 -0.16 -4.89 120.51 114.30 2pqj n ALA 257 Ca -0.29 0.34 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 2pqj n ALA 257 Cb 1.05 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.45 2pqj n ALA 257 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2pqj s VAL 258 N 0.13 5.05 -0.61 0.00 1.01 -1.26 -5.00 120.40 119.72 2pqj s VAL 258 Ca 0.52 1.29 0.04 0.00 0.00 0.00 0.00 61.98 63.84 2pqj s VAL 258 Cb -0.73 -3.98 0.15 0.00 0.00 0.00 0.00 36.38 31.82 2pqj s VAL 258 CO 0.33 0.20 0.37 -0.63 0.00 0.00 0.00 175.10 175.37 2pqj s ILE 259 N 1.27 2.74 0.32 2.22 1.01 -1.26 -4.98 121.20 122.52 2pqj s ILE 259 Ca 0.33 -3.80 0.29 0.00 0.00 0.00 0.00 60.65 57.47 2pqj s ILE 259 Cb -0.16 -2.85 0.42 0.00 0.01 0.00 0.00 42.46 39.87 2pqj s ILE 259 CO 0.14 -0.90 0.90 -0.81 0.00 0.00 0.00 174.94 174.27 2pqj n PRO 260 N 2.55 -0.00 -0.15 2.79 -0.04 -1.26 0.19 135.00 139.08 2pqj n PRO 260 Ca 0.12 0.63 -0.10 0.00 -0.04 0.00 0.00 63.50 64.11 2pqj n PRO 260 Cb 0.33 -1.45 0.03 0.00 -0.04 0.00 0.00 33.50 32.38 2pqj n PRO 260 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2pqj h ASP 261 N 0.00 0.96 0.33 3.54 3.45 -1.97 0.78 116.42 123.53 2pqj h ASP 261 Ca 0.54 -0.35 -0.23 0.00 0.43 0.00 0.00 57.03 57.42 2pqj h ASP 261 Cb 2.16 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 40.67 2pqj h ASP 261 CO -0.02 1.13 -0.97 0.24 -1.57 0.00 0.00 179.24 178.04 2pqj h MET 262 N 0.82 0.42 -0.40 3.56 2.86 0.18 -3.09 114.93 119.28 2pqj h MET 262 Ca 0.11 -0.47 0.03 0.00 -2.06 0.00 0.00 59.70 57.31 2pqj h MET 262 Cb 0.75 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.52 2pqj h MET 262 CO 0.06 1.13 0.21 1.96 1.06 0.00 0.00 176.91 181.33 2pqj h GLN 263 N 0.23 0.41 0.00 1.72 1.08 -1.13 0.46 115.11 117.88 2pqj h GLN 263 Ca -0.09 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2pqj h GLN 263 Cb 1.62 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.96 2pqj h GLN 263 CO 0.17 0.27 0.00 1.63 -0.95 0.00 0.00 178.83 179.95 2pqj n LYS 264 N -4.91 0.08 -0.01 1.46 4.76 0.27 -1.98 118.16 117.83 2pqj n LYS 264 Ca 0.02 0.25 0.03 0.00 -2.87 0.00 0.00 58.31 55.74 2pqj n LYS 264 Cb 0.09 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.82 2pqj n LYS 264 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2pqj n LEU 265 N -1.34 1.65 0.00 -0.35 4.77 -0.65 -4.98 117.00 116.11 2pqj n LEU 265 Ca 0.03 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 2pqj n LEU 265 Cb 0.07 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2pqj n LEU 265 CO 0.06 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2pqj n GLY 266 N 0.37 0.68 3.29 -0.72 0.00 -0.84 -4.86 105.19 103.11 2pqj n GLY 266 Ca 0.04 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 2pqj n GLY 266 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pqj s ILE 267 N -2.00 3.93 -0.02 -0.61 1.01 0.06 -5.00 121.20 118.56 2pqj s ILE 267 Ca 0.00 -1.07 -0.25 0.00 0.00 0.00 0.00 60.65 59.34 2pqj s ILE 267 Cb 0.00 -3.21 -0.19 0.00 0.01 0.00 0.00 42.46 39.07 2pqj s ILE 267 CO 0.00 -0.18 1.17 0.11 0.00 0.00 0.00 174.94 176.05 2pqj h LYS 268 N 8.26 -0.13 0.00 2.79 6.56 -1.92 -3.14 116.57 128.99 2pqj h LYS 268 Ca -0.24 0.01 -0.15 0.00 -1.06 0.00 0.00 60.65 59.21 2pqj h LYS 268 Cb 1.09 0.03 -0.04 0.00 -0.57 0.00 0.00 32.23 32.74 2pqj h LYS 268 CO 0.61 0.31 -0.11 -0.40 -2.06 0.00 0.00 179.45 177.80 2pqj n ASP 269 N -4.93 -0.47 0.27 0.86 5.68 -1.26 -4.87 116.55 111.83 2pqj n ASP 269 Ca -0.09 -1.83 0.14 0.00 -0.50 0.00 0.00 54.79 52.51 2pqj n ASP 269 Cb 0.26 0.93 0.73 0.00 -1.14 0.00 0.00 41.12 41.90 2pqj n ASP 269 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2pqj h LYS 270 N 0.00 0.00 0.32 0.11 5.09 -1.94 -2.39 116.57 117.76 2pqj h LYS 270 Ca -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.62 2pqj h LYS 270 Cb 0.50 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.83 2pqj h LYS 270 CO 0.15 0.11 -0.15 -0.97 -2.09 0.00 0.00 179.45 176.49 2pqj h ASN 271 N 0.00 -0.36 -0.50 7.07 -1.24 -1.95 -1.36 115.58 117.24 2pqj h ASN 271 Ca -0.00 -0.14 0.02 0.00 0.71 0.00 0.00 56.30 56.88 2pqj h ASN 271 Cb 0.39 0.09 -0.03 0.00 0.73 0.00 0.00 38.32 39.50 2pqj h ASN 271 CO 0.01 -0.04 0.31 -0.08 -1.29 0.00 0.00 177.43 176.34 2pqj h GLU 272 N -0.69 0.61 -0.96 6.67 4.81 -1.86 -2.31 114.58 120.84 2pqj h GLU 272 Ca -0.04 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2pqj h GLU 272 Cb 0.48 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.67 2pqj h GLU 272 CO 0.07 0.40 0.62 0.00 -0.73 0.00 0.00 179.01 179.38 2pqj h ALA 273 N 1.20 1.28 -0.59 2.92 0.00 -1.44 -2.46 119.26 120.17 2pqj h ALA 273 Ca 0.19 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.14 2pqj h ALA 273 Cb -0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.34 2pqj h ALA 273 CO -0.07 0.65 0.40 0.00 0.00 0.00 0.00 179.25 180.23 2pqj h ALA 274 N 1.37 2.13 0.00 0.00 0.00 -0.66 -0.42 119.26 121.68 2pqj h ALA 274 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2pqj h ALA 274 Cb -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2pqj h ALA 274 CO -0.07 -0.27 -0.52 0.07 0.00 0.00 0.00 179.25 178.46 2pqj h ARG 275 N 0.32 0.00 0.00 0.00 0.11 -1.37 -3.39 114.38 110.04 2pqj h ARG 275 Ca 0.28 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.36 2pqj h ARG 275 Cb 0.67 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.75 2pqj h ARG 275 CO -0.07 0.00 -0.02 0.82 0.10 0.00 0.00 179.97 180.80 2pqj h ILE 276 N 0.00 0.00 -3.89 0.08 2.04 -0.94 -3.40 117.51 111.40 2pqj h ILE 276 Ca 0.00 -0.06 -0.51 0.00 1.00 0.00 0.00 64.86 65.29 2pqj h ILE 276 Cb 0.82 0.00 0.04 0.00 -0.74 0.00 0.00 36.82 36.94 2pqj h ILE 276 CO 0.00 0.00 0.51 0.68 0.00 0.00 0.00 178.15 179.34 2pqj s VAL 277 N -1.06 3.24 -0.21 1.67 -7.23 -0.39 -0.53 120.40 115.89 2pqj s VAL 277 Ca -0.00 1.12 -0.16 0.00 -1.81 0.00 0.00 61.98 61.13 2pqj s VAL 277 Cb 0.00 -3.67 -0.10 0.00 0.56 0.00 0.00 36.38 33.18 2pqj s VAL 277 CO 0.01 0.17 -0.23 0.00 -0.31 0.00 0.00 175.10 174.74 2pqj n ALA 278 N 0.50 0.90 -2.62 1.32 0.00 0.67 -4.65 120.51 116.63 2pqj n ALA 278 Ca 0.02 -0.79 -0.34 0.00 0.00 0.00 0.00 53.44 52.33 2pqj n ALA 278 Cb 0.46 -0.04 -0.11 0.00 0.00 0.00 0.00 19.45 19.76 2pqj n ALA 278 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pqj s LEU 279 N -7.82 3.27 0.00 0.00 1.43 -0.90 -4.22 118.68 110.44 2pqj s LEU 279 Ca -0.30 0.01 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 2pqj s LEU 279 Cb 0.08 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2pqj s LEU 279 CO 0.44 0.36 0.27 1.33 0.23 0.00 0.00 176.35 178.98 2pqj n VAL 280 N 2.24 0.00 0.00 -1.59 0.24 -1.10 -4.88 118.33 113.23 2pqj n VAL 280 Ca -0.18 -1.66 0.00 0.00 -2.04 0.00 0.00 64.34 60.46 2pqj n VAL 280 Cb 0.53 -0.08 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 2pqj n VAL 280 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2pqj n LYS 281 N -1.41 0.00 -3.69 7.34 4.81 -1.26 -1.64 118.16 122.30 2pqj n LYS 281 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2pqj n LYS 281 Cb 0.47 -0.02 -0.00 0.00 0.02 0.00 0.00 35.03 35.50 2pqj n LYS 281 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2pqj s ASN 282 N -0.56 -0.07 0.00 3.14 3.84 -1.26 -4.24 114.94 115.79 2pqj s ASN 282 Ca 0.00 -0.23 0.29 0.00 0.21 0.00 0.00 52.86 53.14 2pqj s ASN 282 Cb 0.00 0.25 1.33 0.00 -0.55 0.00 0.00 41.25 42.28 2pqj s ASN 282 CO 0.00 -0.46 1.91 0.00 -2.79 0.00 0.00 177.10 175.75