#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 3.48 -0.43 0.03 3.01 -0.90 -4.96 119.74 119.97 2pqj s LYS 22 Ca 0.00 -0.34 -0.12 0.00 -1.01 0.00 0.00 55.97 54.50 2pqj s LYS 22 Cb 0.00 -3.02 0.07 0.00 -1.01 0.00 0.00 37.83 33.87 2pqj s LYS 22 CO 0.00 0.60 0.30 -0.06 0.51 0.00 0.00 175.35 176.69 2pqj s PHE 23 N -1.50 3.29 0.50 3.18 0.40 -1.26 -1.86 117.98 120.72 2pqj s PHE 23 Ca 0.35 -1.20 -0.22 0.00 -0.60 0.00 0.00 56.93 55.25 2pqj s PHE 23 Cb -0.13 -2.93 -0.07 0.00 0.51 0.00 0.00 43.02 40.40 2pqj s PHE 23 CO 0.26 -0.79 1.14 -2.37 0.70 0.00 0.00 175.22 174.16 2pqj n THR 24 N 5.03 3.13 -1.91 0.64 5.66 0.28 -4.88 114.28 122.23 2pqj n THR 24 Ca -0.11 -0.50 -0.41 0.00 -3.05 0.00 0.00 64.05 59.98 2pqj n THR 24 Cb 0.44 -1.38 -0.01 0.00 -1.55 0.00 0.00 70.33 67.83 2pqj n THR 24 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2pqj s GLU 25 N -2.47 4.20 0.98 1.09 2.12 -1.26 -4.53 118.70 118.83 2pqj s GLU 25 Ca 0.68 2.44 -0.15 0.00 0.36 0.00 0.00 54.97 58.31 2pqj s GLU 25 Cb -0.47 -3.02 -0.01 0.00 0.26 0.00 0.00 34.13 30.89 2pqj s GLU 25 CO 0.53 -0.45 0.04 -0.89 -0.54 0.00 0.00 175.26 173.95 2pqj n ILE 26 N 1.10 0.00 -3.80 -3.70 5.41 -1.26 -4.75 119.36 112.36 2pqj n ILE 26 Ca 0.03 -0.26 -0.29 0.00 1.00 0.00 0.00 62.75 63.22 2pqj n ILE 26 Cb 0.40 -0.46 -0.16 0.00 -0.71 0.00 0.00 39.64 38.71 2pqj n ILE 26 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 176.55 176.67 2pqj s PHE 27 N -2.28 1.78 -0.94 1.39 5.99 -0.87 -5.01 117.98 118.04 2pqj s PHE 27 Ca 0.52 -1.55 -0.24 0.00 0.00 0.00 0.00 56.93 55.67 2pqj s PHE 27 Cb -0.19 -1.54 0.00 0.00 0.00 0.00 0.00 43.02 41.29 2pqj s PHE 27 CO 0.71 -0.78 1.67 -2.14 -0.00 0.00 0.00 175.22 174.68 2pqj s PRO 28 N 1.60 3.08 0.09 10.12 0.02 -1.26 -1.71 135.00 146.94 2pqj s PRO 28 Ca 0.03 -0.65 -0.29 0.00 0.02 0.00 0.00 61.00 60.11 2pqj s PRO 28 Cb -0.18 -5.14 -0.15 0.00 0.02 0.00 0.00 34.50 29.06 2pqj s PRO 28 CO -0.15 -2.73 1.66 0.28 -0.33 0.00 0.00 177.00 175.73 2pqj h VAL 29 N 6.97 0.54 0.00 3.83 2.07 -1.05 -2.58 116.25 126.02 2pqj h VAL 29 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 2pqj h VAL 29 Cb 1.02 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2pqj h VAL 29 CO 1.32 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 178.29 2pqj n GLU 30 N -5.35 0.20 -2.76 1.57 1.02 -1.26 -4.64 120.64 109.42 2pqj n GLU 30 Ca -0.10 0.13 -0.43 0.00 -0.02 0.00 0.00 57.16 56.74 2pqj n GLU 30 Cb 0.26 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.14 2pqj n GLU 30 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2pqj s ASP 31 N -2.66 6.49 0.47 1.62 -1.08 -0.97 -4.90 116.67 115.63 2pqj s ASP 31 Ca 0.15 0.10 0.26 0.00 -0.52 0.00 0.00 52.55 52.54 2pqj s ASP 31 Cb 0.12 -2.48 1.03 0.00 -1.46 0.00 0.00 42.92 40.14 2pqj s ASP 31 CO 0.28 -1.16 1.87 0.00 0.52 0.00 0.00 175.17 176.68 2pqj h ALA 32 N 9.19 1.04 0.00 3.66 0.00 -1.85 -2.88 119.26 128.42 2pqj h ALA 32 Ca -0.24 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2pqj h ALA 32 Cb 1.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2pqj h ALA 32 CO 1.07 0.22 0.00 0.09 0.00 0.00 0.00 179.25 180.64 2pqj n ASN 33 N -3.36 0.00 -4.06 0.00 3.02 -1.26 -4.51 115.26 105.10 2pqj n ASN 33 Ca 0.00 -0.21 -0.31 0.00 -0.03 0.00 0.00 54.58 54.03 2pqj n ASN 33 Cb 0.39 -0.13 -0.16 0.00 -0.61 0.00 0.00 39.78 39.27 2pqj n ASN 33 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2pqj s TYR 34 N -2.27 2.39 0.42 3.10 6.14 -1.09 -5.13 117.35 120.92 2pqj s TYR 34 Ca 0.18 -1.37 -0.14 0.00 0.64 0.00 0.00 57.07 56.38 2pqj s TYR 34 Cb 0.10 -1.71 -0.08 0.00 0.42 0.00 0.00 41.96 40.69 2pqj s TYR 34 CO 0.19 -0.72 0.85 -1.25 0.64 0.00 0.00 175.55 175.26 2pqj s PRO 35 N 1.40 3.93 0.21 4.97 0.04 -1.26 -4.93 135.00 139.36 2pqj s PRO 35 Ca 0.05 0.73 -0.08 0.00 0.04 0.00 0.00 61.00 61.73 2pqj s PRO 35 Cb -0.13 -2.30 0.15 0.00 0.04 0.00 0.00 34.50 32.26 2pqj s PRO 35 CO -0.11 -0.06 1.79 -0.92 0.04 0.00 0.00 177.00 177.74 2pqj h TYR 36 N 1.46 1.16 -0.25 0.56 3.20 -1.97 -2.76 116.97 118.37 2pqj h TYR 36 Ca -0.47 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.35 2pqj h TYR 36 Cb 1.18 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 2pqj h TYR 36 CO 0.62 0.87 0.07 0.66 -1.64 0.00 0.00 178.16 178.74 2pqj h SER 37 N 1.12 0.07 -0.98 -2.11 4.64 -1.92 -0.32 113.55 114.05 2pqj h SER 37 Ca 0.27 0.03 0.18 0.00 -0.47 0.00 0.00 61.79 61.80 2pqj h SER 37 Cb 0.17 0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 62.19 2pqj h SER 37 CO -0.03 0.07 0.61 0.00 -0.87 0.00 0.00 176.83 176.62 2pqj h ALA 38 N 1.17 1.76 0.50 5.18 0.00 -1.92 0.96 119.26 126.91 2pqj h ALA 38 Ca 0.11 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2pqj h ALA 38 Cb 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2pqj h ALA 38 CO -0.13 -0.10 -0.24 0.35 0.00 0.00 0.00 179.25 179.13 2pqj h PHE 39 N 0.73 -0.62 -0.09 0.00 3.57 -0.84 -2.29 116.94 117.39 2pqj h PHE 39 Ca 0.54 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 62.05 2pqj h PHE 39 Cb 0.90 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 2pqj h PHE 39 CO -0.00 -0.30 -0.04 0.82 -2.23 0.00 0.00 178.31 176.56 2pqj h ILE 40 N -0.91 0.86 -0.40 1.41 1.08 0.08 -1.62 117.51 118.02 2pqj h ILE 40 Ca -0.07 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.48 2pqj h ILE 40 Cb 0.60 0.86 -0.08 0.00 -3.07 0.00 0.00 36.82 35.13 2pqj h ILE 40 CO 0.11 0.00 -0.18 0.00 -0.69 0.00 0.00 178.15 177.39 2pqj h ALA 41 N 1.05 0.12 0.09 1.87 0.00 0.86 0.48 119.26 123.74 2pqj h ALA 41 Ca 0.05 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2pqj h ALA 41 Cb 0.11 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2pqj h ALA 41 CO -0.11 -0.54 -0.04 1.03 0.00 0.00 0.00 179.25 179.58 2pqj h SER 42 N -0.11 -0.10 -0.80 0.00 0.87 -1.25 -1.50 113.55 110.68 2pqj h SER 42 Ca 0.19 -0.18 0.06 0.00 -1.23 0.00 0.00 61.79 60.63 2pqj h SER 42 Cb 0.41 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.33 2pqj h SER 42 CO -0.46 0.12 0.48 0.58 -0.53 0.00 0.00 176.83 177.02 2pqj h VAL 43 N -0.32 1.02 -0.00 2.23 2.07 -0.85 -0.68 116.25 119.71 2pqj h VAL 43 Ca -0.01 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.22 2pqj h VAL 43 Cb 0.27 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 2pqj h VAL 43 CO 0.02 0.16 -0.10 0.03 0.02 0.00 0.00 177.57 177.70 2pqj h ARG 44 N 0.88 -0.17 -0.86 1.57 3.08 0.12 -0.28 114.38 118.73 2pqj h ARG 44 Ca 0.35 0.01 0.21 0.00 0.07 0.00 0.00 59.98 60.62 2pqj h ARG 44 Cb 0.17 0.04 -0.15 0.00 0.08 0.00 0.00 29.97 30.11 2pqj h ARG 44 CO -0.17 -0.11 0.01 -0.22 -1.07 0.00 0.00 179.97 178.40 2pqj h LYS 45 N -0.17 0.07 -0.55 0.04 3.64 -0.08 0.76 116.57 120.28 2pqj h LYS 45 Ca 0.04 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 2pqj h LYS 45 Cb 0.22 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 2pqj h LYS 45 CO -0.11 0.05 -0.08 -0.44 -2.27 0.00 0.00 179.45 176.60 2pqj h ASP 46 N 0.07 1.01 0.08 4.20 3.45 -0.53 -3.13 116.42 121.58 2pqj h ASP 46 Ca 0.49 -0.32 -0.00 0.00 0.43 0.00 0.00 57.03 57.62 2pqj h ASP 46 Cb 0.91 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 39.40 2pqj h ASP 46 CO -0.78 1.11 -0.04 0.58 -1.57 0.00 0.00 179.24 178.55 2pqj h VAL 47 N 0.91 1.04 0.00 -1.35 2.07 0.20 -3.08 116.25 116.05 2pqj h VAL 47 Ca 0.15 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2pqj h VAL 47 Cb 0.64 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2pqj h VAL 47 CO 0.04 0.11 0.22 0.40 0.02 0.00 0.00 177.57 178.37 2pqj h ILE 48 N -0.31 0.00 0.00 4.57 2.04 -0.32 0.86 117.51 124.35 2pqj h ILE 48 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2pqj h ILE 48 Cb 0.26 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 2pqj h ILE 48 CO 0.02 0.00 0.00 0.29 0.00 0.00 0.00 178.15 178.46 2pqj n LYS 49 N -2.95 0.03 -0.14 2.37 5.02 -1.16 -1.90 118.16 119.43 2pqj n LYS 49 Ca -0.02 0.27 0.05 0.00 -2.02 0.00 0.00 58.31 56.59 2pqj n LYS 49 Cb 0.28 -1.55 0.11 0.00 -0.02 0.00 0.00 35.03 33.85 2pqj n LYS 49 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2pqj n HIS 50 N -1.60 0.29 -3.92 2.13 8.25 0.29 -5.01 115.22 115.65 2pqj n HIS 50 Ca 0.03 -0.65 -0.21 0.00 -0.26 0.00 0.00 57.72 56.63 2pqj n HIS 50 Cb 0.18 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.17 2.25 0.06 0.00 -4.23 -0.66 -4.87 115.64 106.02 2pqj s THR 52 Ca 0.37 -1.99 -0.29 0.00 -1.18 0.00 0.00 61.69 58.60 2pqj s THR 52 Cb -0.08 -2.06 -0.05 0.00 1.34 0.00 0.00 72.50 71.66 2pqj s THR 52 CO 0.27 -0.13 0.95 -0.62 -0.54 0.00 0.00 174.62 174.54 2pqj s ASP 53 N -2.61 7.41 -0.18 3.99 2.15 -1.26 -2.18 116.67 123.98 2pqj s ASP 53 Ca 0.19 1.70 0.01 0.00 0.43 0.00 0.00 52.55 54.87 2pqj s ASP 53 Cb -0.08 -2.57 0.04 0.00 -0.30 0.00 0.00 42.92 40.01 2pqj s ASP 53 CO 0.09 -0.14 -0.11 -1.00 -0.17 0.00 0.00 175.17 173.85 2pqj s HIS 54 N 0.41 2.27 -0.38 -5.34 3.76 -1.26 -5.01 115.29 109.74 2pqj s HIS 54 Ca 0.48 -1.44 -0.43 0.00 -0.15 0.00 0.00 55.06 53.52 2pqj s HIS 54 Cb -0.22 -1.59 -0.17 0.00 1.11 0.00 0.00 32.58 31.71 2pqj s HIS 54 CO 0.28 -0.71 1.70 1.17 -0.85 0.00 0.00 174.74 176.34 2pqj n LYS 55 N 4.73 0.65 -0.07 1.40 4.81 -1.26 -1.11 118.16 127.31 2pqj n LYS 55 Ca -0.15 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2pqj n LYS 55 Cb 0.47 -1.85 0.00 0.00 0.02 0.00 0.00 35.03 33.67 2pqj n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2pqj n GLY 56 N 4.23 0.52 3.61 3.14 0.00 -1.26 -4.90 105.19 110.54 2pqj n GLY 56 Ca 0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.23 3.90 -0.03 -0.61 1.01 -0.27 -4.25 121.20 118.72 2pqj s ILE 57 Ca 0.00 -0.40 0.12 0.00 0.00 0.00 0.00 60.65 60.37 2pqj s ILE 57 Cb 0.00 -2.61 -0.14 0.00 0.01 0.00 0.00 42.46 39.72 2pqj s ILE 57 CO 0.00 0.60 1.09 -0.26 0.00 0.00 0.00 174.94 176.37 2pqj h PHE 58 N 5.27 0.00 -2.92 3.97 0.05 -1.95 -3.44 116.94 117.92 2pqj h PHE 58 Ca -0.49 0.00 -0.62 0.00 3.82 0.00 0.00 57.97 60.68 2pqj h PHE 58 Cb 1.18 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 39.09 2pqj h PHE 58 CO 0.59 0.80 -0.49 -0.65 -0.18 0.00 0.00 178.31 178.38 2pqj s GLN 59 N -2.79 3.45 0.56 1.51 1.11 -1.26 -5.07 119.66 117.17 2pqj s GLN 59 Ca -0.00 -0.41 -0.20 0.00 0.01 0.00 0.00 55.36 54.75 2pqj s GLN 59 Cb 0.09 -3.03 -0.06 0.00 -1.01 0.00 0.00 33.01 29.00 2pqj s GLN 59 CO 0.80 0.60 1.04 -2.30 0.01 0.00 0.00 175.29 175.44 2pqj n PRO 60 N 0.31 1.12 -3.61 2.91 -0.02 -1.26 -4.76 135.00 129.69 2pqj n PRO 60 Ca -0.05 0.42 -0.38 0.00 -2.02 0.00 0.00 63.50 61.47 2pqj n PRO 60 Cb 0.51 -2.21 -0.11 0.00 -0.02 0.00 0.00 33.50 31.67 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 -1.43 5.08 0.59 -1.45 1.01 -0.93 -2.14 120.40 121.13 2pqj s VAL 61 Ca 0.72 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.50 2pqj s VAL 61 Cb -0.44 -3.47 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 2pqj s VAL 61 CO 0.49 0.20 1.21 -0.76 0.00 0.00 0.00 175.10 176.24 2pqj s LEU 62 N 1.72 3.66 0.65 3.92 1.43 0.04 -1.65 118.68 128.45 2pqj s LEU 62 Ca 0.06 2.40 -0.17 0.00 -1.03 0.00 0.00 54.13 55.39 2pqj s LEU 62 Cb -0.16 -4.60 -0.11 0.00 0.03 0.00 0.00 46.19 41.35 2pqj s LEU 62 CO 0.09 -1.61 0.03 -2.65 0.23 0.00 0.00 176.35 172.44 2pqj n PRO 63 N -1.59 0.15 -1.55 1.29 -0.02 -1.26 -4.11 135.00 127.91 2pqj n PRO 63 Ca 0.14 0.06 -0.31 0.00 -2.02 0.00 0.00 63.50 61.37 2pqj n PRO 63 Cb 0.49 -1.32 0.05 0.00 -0.02 0.00 0.00 33.50 32.71 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 -1.80 2.89 0.15 0.52 0.04 -1.26 -4.54 135.00 131.00 2pqj s PRO 64 Ca 0.58 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 2pqj s PRO 64 Cb -0.40 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.09 2pqj s PRO 64 CO 0.65 -1.13 1.00 -2.00 0.04 0.00 0.00 177.00 175.56 2pqj s GLU 65 N -5.04 4.68 -0.02 4.56 2.12 -1.26 -4.83 118.70 118.92 2pqj s GLU 65 Ca 0.58 1.54 0.05 0.00 0.36 0.00 0.00 54.97 57.50 2pqj s GLU 65 Cb -0.14 -3.33 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 2pqj s GLU 65 CO 0.55 0.21 -0.16 0.15 -0.54 0.00 0.00 175.26 175.47 2pqj s LYS 66 N -0.26 1.35 0.50 4.30 1.02 -1.26 -5.01 119.74 120.37 2pqj s LYS 66 Ca 0.47 -0.57 0.25 0.00 0.02 0.00 0.00 55.97 56.14 2pqj s LYS 66 Cb -0.26 -1.29 1.33 0.00 -0.52 0.00 0.00 37.83 37.10 2pqj s LYS 66 CO 0.32 0.33 1.91 1.57 -0.92 0.00 0.00 175.35 178.56 2pqj h LYS 67 N 5.81 0.13 -4.62 1.68 5.09 -2.07 -3.15 116.57 119.43 2pqj h LYS 67 Ca -0.35 -0.01 -0.68 0.00 0.09 0.00 0.00 60.65 59.70 2pqj h LYS 67 Cb 1.16 -0.03 -0.37 0.00 0.10 0.00 0.00 32.23 33.09 2pqj h LYS 67 CO 0.48 0.08 -0.66 0.08 -2.09 0.00 0.00 179.45 177.35 2pqj s VAL 68 N -5.13 2.71 0.27 0.07 1.01 -1.26 -5.09 120.40 112.99 2pqj s VAL 68 Ca -0.06 -2.14 -0.30 0.00 0.00 0.00 0.00 61.98 59.48 2pqj s VAL 68 Cb 0.21 -2.89 -0.11 0.00 0.00 0.00 0.00 36.38 33.59 2pqj s VAL 68 CO 0.76 -0.58 1.60 -2.16 0.00 0.00 0.00 175.10 174.73 2pqj s PRO 69 N 1.03 4.14 -0.14 2.72 0.04 -1.19 -4.93 135.00 136.66 2pqj s PRO 69 Ca 0.08 2.55 -0.03 0.00 0.04 0.00 0.00 61.00 63.64 2pqj s PRO 69 Cb -0.21 -3.04 -0.24 0.00 0.04 0.00 0.00 34.50 31.05 2pqj s PRO 69 CO -0.06 -0.63 0.29 -0.85 0.04 0.00 0.00 177.00 175.79 2pqj n GLU 70 N 2.51 0.73 -3.77 4.56 0.00 -1.26 -4.90 120.64 118.51 2pqj n GLU 70 Ca 0.09 0.24 -0.36 0.00 0.00 0.00 0.00 57.16 57.13 2pqj n GLU 70 Cb 0.37 -1.68 -0.10 0.00 0.00 0.00 0.00 31.44 30.03 2pqj n GLU 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2pqj s LEU 71 N -6.84 3.86 0.24 -1.84 1.43 -1.26 -4.47 118.68 109.80 2pqj s LEU 71 Ca -0.23 0.01 0.11 0.00 -1.03 0.00 0.00 54.13 53.00 2pqj s LEU 71 Cb 0.07 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 2pqj s LEU 71 CO 0.75 0.06 -0.14 0.26 0.23 0.00 0.00 176.35 177.51 2pqj s TRP 72 N 1.08 2.47 -0.15 0.29 0.52 -1.26 -2.25 118.94 119.63 2pqj s TRP 72 Ca 0.06 -0.28 0.02 0.00 0.02 0.00 0.00 56.10 55.91 2pqj s TRP 72 Cb -0.14 -1.13 0.01 0.00 -1.15 0.00 0.00 33.47 31.06 2pqj s TRP 72 CO 0.04 0.61 -0.20 -1.17 0.02 0.00 0.00 176.95 176.25 2pqj s LEU 73 N -3.25 2.05 -0.35 2.99 2.96 0.26 -0.85 118.68 122.50 2pqj s LEU 73 Ca 0.28 -0.60 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 2pqj s LEU 73 Cb -0.07 -1.41 0.10 0.00 0.50 0.00 0.00 46.19 45.31 2pqj s LEU 73 CO 0.15 0.04 0.07 -0.31 -1.32 0.00 0.00 176.35 174.98 2pqj s TYR 74 N 1.05 3.66 -0.31 5.38 1.51 -0.78 -0.89 117.35 126.97 2pqj s TYR 74 Ca -0.02 -2.75 -0.04 0.00 -1.01 0.00 0.00 57.07 53.25 2pqj s TYR 74 Cb -0.14 -2.89 0.04 0.00 -0.11 0.00 0.00 41.96 38.86 2pqj s TYR 74 CO -0.06 -0.94 0.05 0.95 -1.11 0.00 0.00 175.55 174.43 2pqj s THR 75 N 0.99 3.42 -0.12 -0.71 -4.23 -0.99 -0.56 115.64 113.44 2pqj s THR 75 Ca 0.08 -1.17 -0.24 0.00 -1.18 0.00 0.00 61.69 59.19 2pqj s THR 75 Cb -0.20 -2.91 -0.03 0.00 1.34 0.00 0.00 72.50 70.70 2pqj s THR 75 CO -0.06 -0.09 0.73 -0.70 -0.54 0.00 0.00 174.62 173.96 2pqj s GLU 76 N 1.35 4.36 -0.34 3.99 2.12 -1.26 -1.83 118.70 127.09 2pqj s GLU 76 Ca -0.02 0.88 -0.06 0.00 0.36 0.00 0.00 54.97 56.12 2pqj s GLU 76 Cb -0.19 -3.50 0.04 0.00 0.26 0.00 0.00 34.13 30.73 2pqj s GLU 76 CO 0.01 -0.10 0.11 -0.51 -0.54 0.00 0.00 175.26 174.23 2pqj s LEU 77 N 1.36 4.34 -0.04 2.70 1.43 -0.16 -2.04 118.68 126.27 2pqj s LEU 77 Ca 0.36 -1.15 0.06 0.00 -1.03 0.00 0.00 54.13 52.37 2pqj s LEU 77 Cb -0.17 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 2pqj s LEU 77 CO 0.15 -0.33 -0.21 -0.75 0.23 0.00 0.00 176.35 175.44 2pqj s LYS 78 N 1.40 2.41 0.23 1.70 2.20 -0.70 -1.57 119.74 125.41 2pqj s LYS 78 Ca -0.01 -0.83 0.02 0.00 -0.36 0.00 0.00 55.97 54.78 2pqj s LYS 78 Cb -0.20 -2.22 0.02 0.00 -1.51 0.00 0.00 37.83 33.92 2pqj s LYS 78 CO 0.03 0.53 0.14 0.25 -0.36 0.00 0.00 175.35 175.93 2pqj n THR 79 N 2.55 0.00 0.44 3.43 -2.24 0.08 -0.33 114.28 118.22 2pqj n THR 79 Ca -0.17 -0.94 0.11 0.00 -2.27 0.00 0.00 64.05 60.78 2pqj n THR 79 Cb 0.52 -0.20 0.45 0.00 -2.10 0.00 0.00 70.33 69.00 2pqj n THR 79 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2pqj n ARG 80 N -0.94 0.15 0.00 -0.78 1.74 -1.26 -3.70 116.66 111.87 2pqj n ARG 80 Ca -0.03 0.36 0.00 0.00 -0.77 0.00 0.00 57.85 57.42 2pqj n ARG 80 Cb 0.27 -1.77 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 2pqj n ARG 80 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2pqj n THR 81 N -2.05 0.00 -2.05 0.55 -2.24 -1.26 -5.12 114.28 102.11 2pqj n THR 81 Ca 0.03 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 2pqj n THR 81 Cb 0.23 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 2pqj n THR 81 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2pqj n SER 82 N -0.96 0.00 0.00 3.42 7.64 -1.24 -5.14 113.62 117.34 2pqj n SER 82 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2pqj n SER 82 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2pqj n SER 82 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2pqj n SER 83 N 0.00 0.00 -3.97 6.43 3.41 -1.26 -0.74 113.62 117.49 2pqj n SER 83 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2pqj n SER 83 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 2pqj n SER 83 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2pqj s ILE 84 N -2.00 0.13 -0.19 -1.33 -4.36 -0.61 -3.75 121.20 109.09 2pqj s ILE 84 Ca 0.00 -1.07 -0.04 0.00 -0.26 0.00 0.00 60.65 59.28 2pqj s ILE 84 Cb 0.00 -0.65 -0.02 0.00 1.25 0.00 0.00 42.46 43.04 2pqj s ILE 84 CO 0.00 -0.59 -0.04 -0.89 0.24 0.00 0.00 174.94 173.66 2pqj s THR 85 N -2.14 3.68 -0.04 8.37 2.01 -0.32 -0.99 115.64 126.20 2pqj s THR 85 Ca -0.09 -0.41 -0.18 0.00 0.31 0.00 0.00 61.69 61.31 2pqj s THR 85 Cb -0.04 -2.64 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 2pqj s THR 85 CO -0.03 0.45 0.50 -0.76 -0.69 0.00 0.00 174.62 174.09 2pqj s LEU 86 N 0.88 4.39 -0.36 4.42 1.43 -0.76 0.14 118.68 128.81 2pqj s LEU 86 Ca -0.00 0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 53.95 2pqj s LEU 86 Cb -0.15 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.34 2pqj s LEU 86 CO 0.01 0.13 0.23 0.00 0.23 0.00 0.00 176.35 176.96 2pqj s ALA 87 N -0.17 3.39 -0.10 4.21 0.00 0.46 -2.35 121.76 127.19 2pqj s ALA 87 Ca 0.27 -1.58 0.03 0.00 0.00 0.00 0.00 51.96 50.68 2pqj s ALA 87 Cb -0.17 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.30 2pqj s ALA 87 CO 0.14 -1.22 -0.21 0.42 0.00 0.00 0.00 175.76 174.89 2pqj s ILE 88 N 1.64 1.85 -0.07 0.00 1.01 -0.07 0.79 121.20 126.36 2pqj s ILE 88 Ca 0.04 -0.89 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 2pqj s ILE 88 Cb -0.18 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.63 2pqj s ILE 88 CO 0.08 0.51 0.82 0.00 0.00 0.00 0.00 174.94 176.36 2pqj s ARG 89 N 0.52 4.45 0.11 2.79 1.70 -0.87 0.92 118.95 128.57 2pqj s ARG 89 Ca -0.15 1.09 -0.16 0.00 -0.47 0.00 0.00 55.73 56.04 2pqj s ARG 89 Cb -0.17 -3.48 -0.05 0.00 -0.57 0.00 0.00 34.95 30.68 2pqj s ARG 89 CO 0.06 -0.06 1.54 0.52 -1.08 0.00 0.00 175.30 176.28 2pqj h MET 90 N 6.89 0.59 -1.07 3.89 2.86 -1.78 -0.01 114.93 126.30 2pqj h MET 90 Ca -0.38 -0.19 0.35 0.00 -2.06 0.00 0.00 59.70 57.42 2pqj h MET 90 Cb 1.19 -0.05 -0.15 0.00 0.06 0.00 0.00 31.60 32.65 2pqj h MET 90 CO 0.77 0.73 0.63 0.38 1.06 0.00 0.00 176.91 180.48 2pqj h ASP 91 N 0.39 0.43 0.00 1.22 -0.00 -1.80 0.12 116.42 116.79 2pqj h ASP 91 Ca 0.09 0.18 -0.01 0.00 -0.00 0.00 0.00 57.03 57.30 2pqj h ASP 91 Cb 0.47 0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.93 2pqj h ASP 91 CO 0.02 -0.17 -0.34 -0.46 -0.00 0.00 0.00 179.24 178.28 2pqj n ASN 92 N -4.98 0.89 -4.18 4.15 0.23 -1.24 -4.65 115.26 105.48 2pqj n ASN 92 Ca 0.33 -2.42 -0.34 0.00 -0.53 0.00 0.00 54.58 51.62 2pqj n ASN 92 Cb 1.11 -0.29 -0.03 0.00 -2.08 0.00 0.00 39.78 38.49 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 -0.51 -1.74 -4.75 -4.53 4.77 0.43 -4.96 117.00 105.70 2pqj n LEU 93 Ca 0.06 -1.04 -0.36 0.00 -0.03 0.00 0.00 56.01 54.65 2pqj n LEU 93 Cb 0.70 -2.07 -0.07 0.00 -2.33 0.00 0.00 43.42 39.64 2pqj n LEU 93 CO 0.00 0.33 -0.14 -0.47 -1.33 0.00 0.00 177.39 175.78 2pqj s TYR 94 N -3.50 3.45 -0.03 -1.77 5.04 -0.84 -4.78 117.35 114.92 2pqj s TYR 94 Ca 0.54 0.43 -0.30 0.00 -2.44 0.00 0.00 57.07 55.30 2pqj s TYR 94 Cb -0.29 -2.17 -0.05 0.00 0.35 0.00 0.00 41.96 39.79 2pqj s TYR 94 CO 0.93 0.35 1.49 -1.17 -1.34 0.00 0.00 175.55 175.80 2pqj s LEU 95 N 0.16 4.31 -0.13 6.97 2.96 -1.26 -2.06 118.68 129.63 2pqj s LEU 95 Ca 0.11 2.14 0.16 0.00 -0.22 0.00 0.00 54.13 56.32 2pqj s LEU 95 Cb -0.12 -3.55 -0.24 0.00 0.50 0.00 0.00 46.19 42.79 2pqj s LEU 95 CO 0.00 -0.81 0.16 0.52 -1.32 0.00 0.00 176.35 174.91 2pqj n VAL 96 N 5.01 0.85 0.00 1.68 0.31 0.24 -4.92 118.33 121.50 2pqj n VAL 96 Ca 0.15 -0.65 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 2pqj n VAL 96 Cb 0.43 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.00 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 1.78 0.84 3.30 2.92 0.00 -1.17 -1.57 105.19 111.29 2pqj n GLY 97 Ca -0.21 -0.88 -0.16 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.00 1.45 -0.13 1.61 -0.12 -0.47 0.17 117.98 118.50 2pqj s PHE 98 Ca 0.00 -0.78 0.01 0.00 -0.05 0.00 0.00 56.93 56.11 2pqj s PHE 98 Cb 0.00 -0.77 -0.01 0.00 -0.63 0.00 0.00 43.02 41.61 2pqj s PHE 98 CO 0.00 0.09 -0.17 0.50 -0.05 0.00 0.00 175.22 175.59 2pqj s ARG 99 N -3.77 3.22 0.58 1.99 3.52 0.37 -1.20 118.95 123.67 2pqj s ARG 99 Ca 0.22 -0.77 -0.12 0.00 -0.13 0.00 0.00 55.73 54.93 2pqj s ARG 99 Cb 0.03 -2.53 -0.05 0.00 -1.56 0.00 0.00 34.95 30.85 2pqj s ARG 99 CO 0.05 0.13 1.01 0.95 -0.81 0.00 0.00 175.30 176.63 2pqj s THR 100 N 0.51 4.67 -0.98 4.11 -4.23 -0.58 -1.18 115.64 117.96 2pqj s THR 100 Ca -0.11 0.95 0.08 0.00 -1.18 0.00 0.00 61.69 61.42 2pqj s THR 100 Cb -0.16 -3.83 0.06 0.00 1.34 0.00 0.00 72.50 69.91 2pqj s THR 100 CO 0.05 -1.01 1.24 -2.65 -0.54 0.00 0.00 174.62 171.71 2pqj n PRO 101 N -2.40 0.01 -0.07 3.99 -0.02 -1.25 0.41 135.00 135.67 2pqj n PRO 101 Ca 0.06 0.39 0.06 0.00 -2.02 0.00 0.00 63.50 61.99 2pqj n PRO 101 Cb 0.54 -1.52 0.27 0.00 -0.02 0.00 0.00 33.50 32.77 2pqj n PRO 101 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pqj n GLY 102 N -0.77 -0.22 2.26 -1.23 0.00 -1.26 -4.88 105.19 99.08 2pqj n GLY 102 Ca 0.02 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 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 0.88 0.94 3.70 -0.02 0.00 0.16 -5.02 105.19 105.84 2pqj n GLY 103 Ca 0.11 -0.60 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.23 5.37 -0.05 1.61 1.01 -1.22 -4.86 120.40 120.03 2pqj s VAL 104 Ca 0.00 0.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.02 2pqj s VAL 104 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 2pqj s VAL 104 CO 0.00 0.39 0.54 0.26 0.00 0.00 0.00 175.10 176.28 2pqj s TRP 105 N 0.71 3.61 -0.13 5.22 0.52 -1.26 -1.53 118.94 126.08 2pqj s TRP 105 Ca 0.09 1.06 0.01 0.00 0.02 0.00 0.00 56.10 57.29 2pqj s TRP 105 Cb -0.12 -2.57 -0.00 0.00 -1.15 0.00 0.00 33.47 29.63 2pqj s TRP 105 CO 0.02 0.29 -0.18 -1.58 0.02 0.00 0.00 176.95 175.52 2pqj s TRP 106 N 0.11 2.71 0.03 -1.98 0.52 -0.34 0.19 118.94 120.18 2pqj s TRP 106 Ca 0.29 -0.99 0.09 0.00 0.02 0.00 0.00 56.10 55.50 2pqj s TRP 106 Cb -0.17 -1.82 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 2pqj s TRP 106 CO 0.14 -0.42 -0.25 -2.00 0.02 0.00 0.00 176.95 174.44 2pqj s GLU 107 N 0.58 1.78 0.15 4.98 2.12 0.37 -1.36 118.70 127.32 2pqj s GLU 107 Ca -0.11 -1.03 -0.31 0.00 0.36 0.00 0.00 54.97 53.88 2pqj s GLU 107 Cb -0.16 -1.89 -0.09 0.00 0.26 0.00 0.00 34.13 32.24 2pqj s GLU 107 CO 0.04 0.50 1.51 -0.06 -0.54 0.00 0.00 175.26 176.71 2pqj s PHE 108 N -0.75 3.11 -5.00 5.30 0.40 -0.61 -0.50 117.98 119.93 2pqj s PHE 108 Ca 0.11 0.72 0.00 0.00 -0.60 0.00 0.00 56.93 57.16 2pqj s PHE 108 Cb -0.10 -3.85 0.00 0.00 0.51 0.00 0.00 43.02 39.58 2pqj s PHE 108 CO 0.01 -3.11 0.00 0.41 0.70 0.00 0.00 175.22 173.23 2pqj n GLY 109 N 3.68 0.56 3.17 4.36 0.00 -0.90 -4.89 105.19 111.17 2pqj n GLY 109 Ca 0.13 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.50 0.97 0.21 1.61 1.02 -1.26 -1.94 119.74 118.85 2pqj s LYS 110 Ca 0.00 -1.46 -0.30 0.00 0.02 0.00 0.00 55.97 54.22 2pqj s LYS 110 Cb 0.00 0.10 -0.16 0.00 -0.52 0.00 0.00 37.83 37.25 2pqj s LYS 110 CO 0.00 -0.22 0.96 -0.25 -0.92 0.00 0.00 175.35 174.91 2pqj n ASP 111 N -0.13 0.66 0.00 2.83 10.43 -1.26 -0.14 116.55 128.93 2pqj n ASP 111 Ca -0.06 1.15 0.00 0.00 2.57 0.00 0.00 54.79 58.45 2pqj n ASP 111 Cb 0.64 -1.16 0.00 0.00 1.84 0.00 0.00 41.12 42.43 2pqj n ASP 111 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pqj n GLY 112 N 1.70 3.29 3.86 0.44 0.00 -1.26 -5.03 105.19 108.19 2pqj n GLY 112 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.66 6.11 -0.12 1.61 -0.00 0.80 -5.02 116.67 119.40 2pqj s ASP 113 Ca 0.00 1.48 -0.17 0.00 -0.00 0.00 0.00 52.55 53.85 2pqj s ASP 113 Cb 0.00 -2.48 -0.04 0.00 -0.00 0.00 0.00 42.92 40.40 2pqj s ASP 113 CO 0.00 -0.95 0.44 -0.89 -0.00 0.00 0.00 175.17 173.78 2pqj s THR 114 N -3.09 5.19 0.42 -1.27 2.01 -1.26 -4.93 115.64 112.70 2pqj s THR 114 Ca 0.56 0.88 -0.24 0.00 0.31 0.00 0.00 61.69 63.20 2pqj s THR 114 Cb -0.12 -3.78 -0.08 0.00 0.01 0.00 0.00 72.50 68.53 2pqj s THR 114 CO 0.52 0.35 1.12 -1.00 -0.69 0.00 0.00 174.62 174.92 2pqj s HIS 115 N 0.47 3.10 0.00 4.92 3.76 -1.26 -4.91 115.29 121.38 2pqj s HIS 115 Ca 0.24 1.59 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 2pqj s HIS 115 Cb -0.15 -3.28 0.00 0.00 1.11 0.00 0.00 32.58 30.26 2pqj s HIS 115 CO 0.09 -1.08 0.37 1.28 -0.85 0.00 0.00 174.74 174.56 2pqj n LEU 116 N -0.14 0.74 -4.95 0.89 4.77 -1.26 -5.01 117.00 112.04 2pqj n LEU 116 Ca 0.05 -0.82 -0.24 0.00 -0.03 0.00 0.00 56.01 54.98 2pqj n LEU 116 Cb 0.48 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2pqj n LEU 116 CO 0.47 0.18 -0.05 -0.76 -1.33 0.00 0.00 177.39 175.90 2pqj s LEU 117 N -0.32 4.31 0.00 2.23 1.43 -1.26 -5.00 118.68 120.07 2pqj s LEU 117 Ca 0.00 0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 2pqj s LEU 117 Cb 0.00 -2.93 0.00 0.00 0.03 0.00 0.00 46.19 43.29 2pqj s LEU 117 CO 0.00 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.17 2pqj n GLY 118 N -0.95 2.36 3.75 -3.19 0.00 -1.26 -4.67 105.19 101.23 2pqj n GLY 118 Ca -0.07 -1.90 -0.28 0.00 0.00 0.00 0.00 46.02 43.76 2pqj n GLY 118 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pqj n ASP 119 N 0.00 -3.41 -3.50 1.61 8.00 -1.26 -2.68 116.55 115.30 2pqj n ASP 119 Ca 0.00 -0.88 -0.20 0.00 0.71 0.00 0.00 54.79 54.42 2pqj n ASP 119 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 41.12 39.89 2pqj n ASP 119 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pqj n ASN 120 N -1.67 -3.33 -4.84 -2.24 5.03 -1.26 -4.63 115.26 102.32 2pqj n ASN 120 Ca -0.17 -0.73 -0.30 0.00 0.87 0.00 0.00 54.58 54.25 2pqj n ASN 120 Cb 0.49 -1.13 0.07 0.00 -1.02 0.00 0.00 39.78 38.19 2pqj n ASN 120 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2pqj s PRO 121 N -4.47 2.43 -0.04 3.52 0.04 -1.09 -4.60 135.00 130.80 2pqj s PRO 121 Ca 0.05 0.56 0.07 0.00 0.04 0.00 0.00 61.00 61.71 2pqj s PRO 121 Cb -0.03 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 2pqj s PRO 121 CO 0.65 -1.36 -0.24 1.03 0.04 0.00 0.00 177.00 177.12 2pqj s ARG 122 N -5.25 2.15 -0.24 4.56 0.52 0.13 -4.97 118.95 115.86 2pqj s ARG 122 Ca 0.60 -0.85 -0.29 0.00 -0.52 0.00 0.00 55.73 54.67 2pqj s ARG 122 Cb -0.13 -1.95 -0.02 0.00 0.52 0.00 0.00 34.95 33.37 2pqj s ARG 122 CO 0.53 0.44 1.51 -1.58 0.02 0.00 0.00 175.30 176.22 2pqj s TRP 123 N -0.35 2.30 0.54 -0.53 0.52 -1.26 -0.48 118.94 119.69 2pqj s TRP 123 Ca 0.03 0.64 0.31 0.00 0.02 0.00 0.00 56.10 57.10 2pqj s TRP 123 Cb -0.11 -3.94 1.47 0.00 -1.15 0.00 0.00 33.47 29.74 2pqj s TRP 123 CO 0.01 -2.56 1.89 -0.07 0.02 0.00 0.00 176.95 176.24 2pqj h LEU 124 N 11.33 0.00 0.00 2.99 3.38 -0.93 -3.45 115.31 128.63 2pqj h LEU 124 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2pqj h LEU 124 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2pqj h LEU 124 CO 1.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.15 2pqj n GLY 125 N -1.68 0.63 3.30 0.83 0.00 -0.82 -5.00 105.19 102.45 2pqj n GLY 125 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.00 -0.16 1.20 1.61 -0.12 -1.12 -4.81 117.98 112.58 2pqj s PHE 126 Ca 0.00 -0.15 -0.15 0.00 -0.05 0.00 0.00 56.93 56.58 2pqj s PHE 126 Cb 0.00 0.22 0.29 0.00 -0.63 0.00 0.00 43.02 42.90 2pqj s PHE 126 CO 0.00 -0.67 1.02 0.20 -0.05 0.00 0.00 175.22 175.72 2pqj s GLY 127 N -2.76 1.52 0.00 1.99 0.00 -1.26 -2.12 107.32 104.69 2pqj s GLY 127 Ca 0.03 -0.35 0.16 0.00 0.00 0.00 0.00 44.72 44.56 2pqj s GLY 127 CO -0.11 0.42 1.02 0.61 0.00 0.00 0.00 173.10 175.04 2pqj n GLY 128 N 0.54 0.22 3.96 0.20 0.00 -1.26 -4.58 105.19 104.27 2pqj n GLY 128 Ca 0.05 -0.47 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 2pqj n GLY 128 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pqj s ARG 129 N -1.35 3.16 0.08 1.61 3.03 -1.26 -4.86 118.95 119.35 2pqj s ARG 129 Ca 0.19 -0.60 0.07 0.00 2.03 0.00 0.00 55.73 57.43 2pqj s ARG 129 Cb 0.14 -2.65 0.36 0.00 -1.03 0.00 0.00 34.95 31.76 2pqj s ARG 129 CO 0.20 -0.10 1.22 0.66 -1.13 0.00 0.00 175.30 176.15 2pqj n TYR 130 N -1.90 0.19 0.05 5.89 4.01 -1.26 0.31 117.16 124.45 2pqj n TYR 130 Ca -0.00 0.09 -0.03 0.00 -0.16 0.00 0.00 57.90 57.80 2pqj n TYR 130 Cb 0.57 -0.65 0.22 0.00 -0.31 0.00 0.00 39.34 39.18 2pqj n TYR 130 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2pqj h GLN 131 N 0.00 0.38 0.00 -0.72 4.20 -1.92 -3.21 115.11 113.84 2pqj h GLN 131 Ca 0.00 -0.15 -0.08 0.00 0.06 0.00 0.00 58.65 58.48 2pqj h GLN 131 Cb 0.04 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2pqj h GLN 131 CO 0.00 0.64 -1.96 -0.25 -0.67 0.00 0.00 178.83 176.59 2pqj n ASP 132 N -4.10 0.11 -0.13 1.46 8.00 0.93 -3.96 116.55 118.86 2pqj n ASP 132 Ca -0.01 0.04 -0.24 0.00 0.71 0.00 0.00 54.79 55.29 2pqj n ASP 132 Cb 0.42 1.60 -0.11 0.00 -0.02 0.00 0.00 41.12 43.01 2pqj n ASP 132 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2pqj n LEU 133 N -2.41 2.39 -1.30 0.64 4.77 -0.09 -4.70 117.00 116.30 2pqj n LEU 133 Ca -0.09 0.15 0.01 0.00 -0.03 0.00 0.00 56.01 56.05 2pqj n LEU 133 Cb 0.69 -0.88 0.10 0.00 -2.33 0.00 0.00 43.42 41.00 2pqj n LEU 133 CO 0.45 0.71 0.20 2.30 -1.33 0.00 0.00 177.39 179.72 2pqj n ILE 134 N -3.84 1.34 -1.82 -0.08 -5.35 -1.24 -4.73 119.36 103.65 2pqj n ILE 134 Ca -0.49 -2.50 0.00 0.00 -0.27 0.00 0.00 62.75 59.50 2pqj n ILE 134 Cb 0.92 0.26 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 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 -0.43 1.83 0.61 3.28 0.00 -1.21 -1.01 105.19 108.26 2pqj n GLY 135 Ca 0.16 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.90 2pqj n GLY 135 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2pqj n ASN 136 N -1.01 1.75 -4.51 1.61 0.23 -1.26 -4.37 115.26 107.69 2pqj n ASN 136 Ca 0.00 -2.05 -0.28 0.00 -0.53 0.00 0.00 54.58 51.72 2pqj n ASN 136 Cb 0.00 -0.25 0.24 0.00 -2.08 0.00 0.00 39.78 37.70 2pqj n ASN 136 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2pqj s LYS 137 N -1.62 -0.77 0.09 -3.83 1.02 -0.18 -5.02 119.74 109.44 2pqj s LYS 137 Ca 0.20 0.82 0.02 0.00 0.02 0.00 0.00 55.97 57.03 2pqj s LYS 137 Cb 0.11 -1.57 -0.04 0.00 -0.52 0.00 0.00 37.83 35.81 2pqj s LYS 137 CO 0.12 -3.62 0.15 0.20 -0.92 0.00 0.00 175.35 171.29 2pqj s GLY 138 N -2.62 1.99 0.66 -3.33 0.00 -1.26 -5.00 107.32 97.77 2pqj s GLY 138 Ca 0.68 -0.99 0.44 0.00 0.00 0.00 0.00 44.72 44.85 2pqj s GLY 138 CO 0.64 -0.98 2.35 1.41 0.00 0.00 0.00 173.10 176.53 2pqj h LEU 139 N 2.97 0.00 0.00 0.66 4.07 -1.94 0.85 115.31 121.91 2pqj h LEU 139 Ca -0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.50 2pqj h LEU 139 Cb 1.17 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.91 2pqj h LEU 139 CO 0.69 0.00 0.00 -1.84 -1.08 0.00 0.00 178.44 176.21 2pqj n GLU 140 N -3.11 0.21 0.05 1.13 0.00 -1.26 -2.03 120.64 115.63 2pqj n GLU 140 Ca -0.03 0.13 0.12 0.00 0.00 0.00 0.00 57.16 57.39 2pqj n GLU 140 Cb 0.08 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.24 2pqj n GLU 140 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2pqj n THR 141 N -1.33 0.32 -3.09 3.84 -2.24 0.29 -4.59 114.28 107.48 2pqj n THR 141 Ca 0.08 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 2pqj n THR 141 Cb 0.15 -0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.19 2pqj n THR 141 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2pqj s VAL 142 N -3.13 4.98 0.11 2.28 1.01 -0.86 -5.05 120.40 119.75 2pqj s VAL 142 Ca 0.08 1.19 -0.25 0.00 0.00 0.00 0.00 61.98 63.00 2pqj s VAL 142 Cb 0.14 -3.96 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 2pqj s VAL 142 CO 0.70 0.05 0.76 -0.89 0.00 0.00 0.00 175.10 175.72 2pqj s THR 143 N 2.32 4.53 0.00 3.92 2.01 -1.26 -4.60 115.64 122.55 2pqj s THR 143 Ca 0.28 1.65 0.00 0.00 0.31 0.00 0.00 61.69 63.93 2pqj s THR 143 Cb -0.16 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.24 2pqj s THR 143 CO 0.09 0.46 0.00 0.23 -0.69 0.00 0.00 174.62 174.71 2pqj n MET 144 N 2.07 3.11 0.00 4.92 2.81 0.22 -4.87 117.12 125.38 2pqj n MET 144 Ca -0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 2pqj n MET 144 Cb 0.49 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.00 2pqj n MET 144 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2pqj n GLY 145 N 3.89 1.43 0.44 3.03 0.00 -1.26 -3.26 105.19 109.46 2pqj n GLY 145 Ca 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.43 -0.83 1.61 2.43 -1.14 -2.16 114.38 113.86 2pqj h ARG 146 Ca 0.00 0.03 0.11 0.00 -0.81 0.00 0.00 59.98 59.31 2pqj h ARG 146 Cb 0.00 0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.59 2pqj h ARG 146 CO 0.00 -0.29 0.54 0.00 -1.51 0.00 0.00 179.97 178.71 2pqj h ALA 147 N -0.01 1.77 -0.43 2.80 0.00 -1.88 -1.58 119.26 119.94 2pqj h ALA 147 Ca 0.07 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2pqj h ALA 147 Cb 0.63 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2pqj h ALA 147 CO -0.53 0.05 -0.21 0.93 0.00 0.00 0.00 179.25 179.49 2pqj h GLU 148 N 0.73 0.85 -0.13 0.00 4.39 -1.63 -2.36 114.58 116.43 2pqj h GLU 148 Ca 0.39 -0.34 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 2pqj h GLU 148 Cb 0.51 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.11 2pqj h GLU 148 CO -0.16 0.98 -0.50 1.98 -1.16 0.00 0.00 179.01 180.15 2pqj h MET 149 N 0.74 0.35 -0.56 2.33 4.05 -0.76 -0.21 114.93 120.86 2pqj h MET 149 Ca 0.10 -0.20 -0.08 0.00 -0.28 0.00 0.00 59.70 59.24 2pqj h MET 149 Cb 0.74 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.53 2pqj h MET 149 CO 0.06 0.77 0.04 1.15 0.23 0.00 0.00 176.91 179.16 2pqj h THR 150 N 0.28 1.26 -0.02 -0.77 2.02 -1.12 -0.16 112.91 114.40 2pqj h THR 150 Ca 0.01 -1.06 -0.14 0.00 0.77 0.00 0.00 66.41 65.99 2pqj h THR 150 Cb 0.98 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 68.21 2pqj h THR 150 CO 0.08 0.38 -0.64 0.03 0.37 0.00 0.00 175.52 175.75 2pqj h ARG 151 N 0.86 0.09 -0.32 6.66 3.08 -1.18 -2.43 114.38 121.15 2pqj h ARG 151 Ca 0.16 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 2pqj h ARG 151 Cb 0.49 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 2pqj h ARG 151 CO 0.02 0.70 0.06 0.00 -1.07 0.00 0.00 179.97 179.68 2pqj h ALA 152 N 1.28 0.43 -0.14 0.04 0.00 -0.49 -1.79 119.26 118.58 2pqj h ALA 152 Ca -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2pqj h ALA 152 Cb 1.14 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 2pqj h ALA 152 CO 0.09 0.11 -0.02 0.28 0.00 0.00 0.00 179.25 179.71 2pqj h VAL 153 N 0.36 1.28 -0.57 0.00 2.07 -0.97 -1.69 116.25 116.73 2pqj h VAL 153 Ca 0.10 -0.93 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 2pqj h VAL 153 Cb 0.34 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 2pqj h VAL 153 CO 0.01 0.27 0.13 0.78 0.02 0.00 0.00 177.57 178.77 2pqj h ASN 154 N -0.02 0.83 -0.17 0.57 -0.26 -1.44 0.10 115.58 115.19 2pqj h ASN 154 Ca 0.04 -0.16 -0.15 0.00 -0.56 0.00 0.00 56.30 55.47 2pqj h ASN 154 Cb 0.43 -0.22 0.00 0.00 -1.06 0.00 0.00 38.32 37.47 2pqj h ASN 154 CO 0.01 0.82 -0.46 0.44 -1.06 0.00 0.00 177.43 177.18 2pqj h ASP 155 N 0.85 0.70 -0.08 5.81 3.32 -1.34 -2.89 116.42 122.79 2pqj h ASP 155 Ca 0.18 -0.58 -0.08 0.00 0.02 0.00 0.00 57.03 56.57 2pqj h ASP 155 Cb 0.33 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 2pqj h ASP 155 CO 0.00 1.16 -0.19 -0.07 -1.72 0.00 0.00 179.24 178.42 2pqj h LEU 156 N 0.28 0.46 0.32 1.55 3.38 -1.15 -3.18 115.31 116.97 2pqj h LEU 156 Ca -0.01 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2pqj h LEU 156 Cb 1.08 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2pqj h LEU 156 CO 0.10 0.67 -0.15 0.00 0.09 0.00 0.00 178.44 179.15 2pqj h ALA 157 N 1.38 -0.42 0.00 1.53 0.00 -0.76 -3.06 119.26 117.92 2pqj h ALA 157 Ca 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2pqj h ALA 157 Cb 0.57 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2pqj h ALA 157 CO 0.04 -0.69 -0.02 0.36 0.00 0.00 0.00 179.25 178.94 2pqj n LYS 158 N -5.23 0.93 -3.35 0.00 0.00 -1.10 -4.44 118.16 104.97 2pqj n LYS 158 Ca -0.10 -0.08 -0.39 0.00 -0.00 0.00 0.00 58.31 57.73 2pqj n LYS 158 Cb 0.22 -1.16 -0.08 0.00 -0.00 0.00 0.00 35.03 34.00 2pqj n LYS 158 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2pqj s LYS 159 N 0.41 4.05 -0.01 -1.58 2.20 -1.16 -4.96 119.74 118.69 2pqj s LYS 159 Ca 0.06 0.13 0.02 0.00 -0.36 0.00 0.00 55.97 55.82 2pqj s LYS 159 Cb 0.03 -3.64 -0.03 0.00 -1.51 0.00 0.00 37.83 32.68 2pqj s LYS 159 CO 0.00 -0.26 0.02 0.36 -0.36 0.00 0.00 175.35 175.11 2pqj n LYS 160 N 5.26 2.80 0.15 4.03 -0.00 -1.26 -5.03 118.16 124.11 2pqj n LYS 160 Ca -0.07 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 2pqj n LYS 160 Cb 0.51 -1.05 0.00 0.00 -0.00 0.00 0.00 35.03 34.49 2pqj n LYS 160 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2pqj n LYS 161 N -1.95 0.00 -3.51 -1.58 -0.00 -1.26 -5.25 118.16 104.62 2pqj n LYS 161 Ca -0.02 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.05 2pqj n LYS 161 Cb 0.44 0.00 -0.14 0.00 -0.00 0.00 0.00 35.03 35.33 2pqj n LYS 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2pqj s ALA 192 N -2.00 0.12 -2.71 0.58 0.00 -1.26 -5.11 121.76 111.38 2pqj s ALA 192 Ca 0.00 -0.47 0.23 0.00 0.00 0.00 0.00 51.96 51.72 2pqj s ALA 192 Cb 0.00 -1.41 0.25 0.00 0.00 0.00 0.00 23.12 21.95 2pqj s ALA 192 CO 0.00 -1.49 1.27 -3.47 0.00 0.00 0.00 175.76 172.07 2pqj n ASP 193 N 5.29 3.05 0.08 0.00 -0.08 -1.26 -4.03 116.55 119.59 2pqj n ASP 193 Ca -0.05 -1.96 0.12 0.00 -1.51 0.00 0.00 54.79 51.39 2pqj n ASP 193 Cb 0.46 -0.07 0.19 0.00 2.34 0.00 0.00 41.12 44.04 2pqj n ASP 193 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2pqj h THR 194 N 4.43 0.00 -0.14 5.18 1.35 -1.99 -2.88 112.91 118.86 2pqj h THR 194 Ca 0.00 -0.55 -0.19 0.00 -0.55 0.00 0.00 66.41 65.12 2pqj h THR 194 Cb 0.95 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2pqj h THR 194 CO 0.00 0.00 -0.69 0.11 -0.25 0.00 0.00 175.52 174.69 2pqj h LYS 195 N 0.00 0.57 -0.33 4.72 1.57 -1.92 -2.43 116.57 118.75 2pqj h LYS 195 Ca 0.00 -0.43 -0.07 0.00 -1.87 0.00 0.00 60.65 58.28 2pqj h LYS 195 Cb 0.77 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 2pqj h LYS 195 CO 0.00 1.05 -0.09 1.03 -0.57 0.00 0.00 179.45 180.87 2pqj h SER 196 N 0.40 0.53 1.18 0.86 0.87 -1.74 -1.95 113.55 113.71 2pqj h SER 196 Ca -0.02 -0.13 -0.11 0.00 -1.23 0.00 0.00 61.79 60.29 2pqj h SER 196 Cb 1.27 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.07 2pqj h SER 196 CO 0.13 0.67 -0.86 0.11 -0.53 0.00 0.00 176.83 176.35 2pqj h LYS 197 N 0.51 0.00 0.21 2.24 1.79 -1.52 -3.23 116.57 116.57 2pqj h LYS 197 Ca 0.10 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.25 2pqj h LYS 197 Cb 0.47 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.15 2pqj h LYS 197 CO 0.03 0.36 -1.41 -0.07 -1.08 0.00 0.00 179.45 177.27 2pqj h LEU 198 N 0.00 0.68 -1.14 2.94 3.38 -1.31 -2.95 115.31 116.91 2pqj h LEU 198 Ca -0.06 -0.74 -0.08 0.00 0.09 0.00 0.00 57.88 57.08 2pqj h LEU 198 Cb 1.41 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2pqj h LEU 198 CO 0.05 1.58 -0.40 1.62 0.09 0.00 0.00 178.44 181.39 2pqj h VAL 199 N 0.12 1.13 0.18 1.22 3.04 -1.48 0.63 116.25 121.09 2pqj h VAL 199 Ca -0.22 -1.43 -0.01 0.00 -1.01 0.00 0.00 66.70 64.03 2pqj h VAL 199 Cb 2.10 1.81 0.00 0.00 -2.01 0.00 0.00 31.29 33.19 2pqj h VAL 199 CO 0.25 0.39 -0.09 0.11 -1.01 0.00 0.00 177.57 177.22 2pqj h LYS 200 N 0.00 -0.23 -0.48 4.17 1.57 -1.58 -2.05 116.57 117.97 2pqj h LYS 200 Ca -0.00 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2pqj h LYS 200 Cb 0.77 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 2pqj h LYS 200 CO 0.05 0.01 0.30 -0.07 -0.57 0.00 0.00 179.45 179.17 2pqj h LEU 201 N -0.44 0.56 -0.55 2.94 3.38 -1.25 -1.40 115.31 118.55 2pqj h LEU 201 Ca -0.02 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.01 2pqj h LEU 201 Cb 0.34 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 40.84 2pqj h LEU 201 CO 0.04 0.44 -0.15 0.58 0.09 0.00 0.00 178.44 179.43 2pqj h VAL 202 N 0.64 0.42 0.00 1.22 2.07 0.42 0.80 116.25 121.81 2pqj h VAL 202 Ca 0.17 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.54 2pqj h VAL 202 Cb -0.03 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 2pqj h VAL 202 CO -0.03 0.00 -0.71 0.58 0.02 0.00 0.00 177.57 177.43 2pqj h VAL 203 N -0.02 1.48 0.10 2.57 2.07 -1.05 -0.46 116.25 120.95 2pqj h VAL 203 Ca 0.27 -2.44 -0.01 0.00 0.82 0.00 0.00 66.70 65.34 2pqj h VAL 203 Cb 0.42 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2pqj h VAL 203 CO -0.58 0.69 -0.05 0.24 0.02 0.00 0.00 177.57 177.89 2pqj h MET 204 N 0.00 -0.13 0.04 1.57 2.07 -0.44 -2.80 114.93 115.24 2pqj h MET 204 Ca -0.01 0.01 -0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2pqj h MET 204 Cb 1.27 0.03 0.00 0.00 -1.87 0.00 0.00 31.60 31.03 2pqj h MET 204 CO 0.09 0.29 -0.02 0.28 1.07 0.00 0.00 176.91 178.62 2pqj h VAL 205 N -0.95 0.00 0.32 -2.22 2.07 -0.99 -3.10 116.25 111.38 2pqj h VAL 205 Ca -0.01 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2pqj h VAL 205 Cb 0.48 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2pqj h VAL 205 CO 0.02 0.00 -0.20 0.00 0.02 0.00 0.00 177.57 177.41 2pqj h GLU 207 N -0.49 0.32 -0.61 0.00 4.39 -1.20 -1.75 114.58 115.25 2pqj h GLU 207 Ca -0.04 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.69 2pqj h GLU 207 Cb 0.39 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 2pqj h GLU 207 CO 0.04 0.21 0.33 0.78 -1.16 0.00 0.00 179.01 179.21 2pqj h GLY 208 N 0.33 0.87 1.03 -3.84 0.00 -1.20 0.10 103.07 100.36 2pqj h GLY 208 Ca 0.23 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 2pqj h GLY 208 CO -0.05 0.14 -0.03 1.41 0.00 0.00 0.00 176.54 178.01 2pqj h LEU 209 N 0.61 0.91 0.33 3.11 3.38 -0.29 -3.33 115.31 120.03 2pqj h LEU 209 Ca 0.27 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2pqj h LEU 209 Cb 0.16 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2pqj h LEU 209 CO -0.17 1.01 -0.16 0.03 0.09 0.00 0.00 178.44 179.24 2pqj h ARG 210 N 0.79 -0.43 -5.22 1.13 3.08 -1.20 -3.36 114.38 109.16 2pqj h ARG 210 Ca 0.14 0.03 -0.62 0.00 0.07 0.00 0.00 59.98 59.60 2pqj h ARG 210 Cb 0.56 0.10 -0.16 0.00 0.08 0.00 0.00 29.97 30.55 2pqj h ARG 210 CO 0.03 -0.12 -0.56 -0.06 -1.07 0.00 0.00 179.97 178.19 2pqj s PHE 211 N -4.80 3.25 0.20 3.04 0.40 -0.01 0.24 117.98 120.29 2pqj s PHE 211 Ca -0.14 0.05 -0.08 0.00 -0.60 0.00 0.00 56.93 56.16 2pqj s PHE 211 Cb 0.02 -2.12 0.12 0.00 0.51 0.00 0.00 43.02 41.56 2pqj s PHE 211 CO 0.55 0.10 1.67 -0.91 0.70 0.00 0.00 175.22 177.33 2pqj h ASN 212 N 6.94 1.01 -0.57 1.36 2.35 0.14 -1.88 115.58 124.94 2pqj h ASN 212 Ca -0.37 -0.27 0.13 0.00 -0.55 0.00 0.00 56.30 55.23 2pqj h ASN 212 Cb 1.17 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 39.24 2pqj h ASN 212 CO 0.69 1.05 0.39 0.00 -1.65 0.00 0.00 177.43 177.91 2pqj h THR 213 N 0.96 0.81 0.00 2.81 1.03 -1.77 -1.20 112.91 115.55 2pqj h THR 213 Ca 0.18 -0.07 -0.01 0.00 -0.01 0.00 0.00 66.41 66.50 2pqj h THR 213 Cb 0.52 0.59 -0.00 0.00 -1.07 0.00 0.00 68.15 68.18 2pqj h THR 213 CO 0.03 0.04 -0.08 0.58 -0.01 0.00 0.00 175.52 176.07 2pqj h VAL 214 N 0.20 0.98 -0.04 0.00 2.07 -1.68 -3.05 116.25 114.73 2pqj h VAL 214 Ca 0.27 -1.76 0.01 0.00 0.82 0.00 0.00 66.70 66.04 2pqj h VAL 214 Cb 0.79 1.88 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2pqj h VAL 214 CO -0.05 0.33 0.05 0.77 0.02 0.00 0.00 177.57 178.70 2pqj h SER 215 N -1.00 0.00 0.18 0.57 4.64 -1.08 -0.58 113.55 116.27 2pqj h SER 215 Ca -0.02 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.95 2pqj h SER 215 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2pqj h SER 215 CO -0.01 0.00 -1.81 0.03 -0.87 0.00 0.00 176.83 174.17 2pqj h ARG 216 N 0.00 0.37 -0.59 4.77 3.08 -1.36 -2.60 114.38 118.04 2pqj h ARG 216 Ca 0.02 -0.63 -0.05 0.00 0.07 0.00 0.00 59.98 59.39 2pqj h ARG 216 Cb 0.13 0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 2pqj h ARG 216 CO -0.00 1.30 0.16 1.15 -1.07 0.00 0.00 179.97 181.50 2pqj h THR 217 N 0.10 1.23 0.20 2.04 2.02 -1.32 -2.12 112.91 115.07 2pqj h THR 217 Ca -0.36 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.97 2pqj h THR 217 Cb 2.09 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 2pqj h THR 217 CO 0.16 0.32 -0.10 0.58 0.37 0.00 0.00 175.52 176.85 2pqj h VAL 218 N 0.88 0.00 -1.06 3.16 2.07 -1.25 -3.32 116.25 116.73 2pqj h VAL 218 Ca 0.19 -0.65 0.32 0.00 0.82 0.00 0.00 66.70 67.38 2pqj h VAL 218 Cb 0.29 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.93 2pqj h VAL 218 CO -0.00 0.00 0.64 -0.78 0.02 0.00 0.00 177.57 177.45 2pqj h ASP 219 N -0.92 0.48 -0.36 0.57 -0.00 -1.50 0.67 116.42 115.36 2pqj h ASP 219 Ca -0.03 0.15 -0.22 0.00 -0.00 0.00 0.00 57.03 56.93 2pqj h ASP 219 Cb 0.21 0.10 -0.11 0.00 -0.00 0.00 0.00 39.33 39.53 2pqj h ASP 219 CO 0.05 -0.07 0.28 0.00 -0.00 0.00 0.00 179.24 179.50 2pqj n ALA 220 N -2.37 4.37 -0.72 -0.78 0.00 -0.80 -3.20 120.51 117.01 2pqj n ALA 220 Ca 0.31 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2pqj n ALA 220 Cb 1.00 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 19.22 2pqj n ALA 220 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pqj n GLY 221 N 0.35 0.72 0.42 0.00 0.00 0.20 -4.99 105.19 101.91 2pqj n GLY 221 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 -1.88 -0.05 1.61 3.04 -0.64 0.17 116.94 119.19 2pqj h PHE 222 Ca 0.00 0.13 0.00 0.00 3.98 0.00 0.00 57.97 62.08 2pqj h PHE 222 Cb 0.00 0.95 0.00 0.00 2.56 0.00 0.00 35.95 39.46 2pqj h PHE 222 CO 0.00 -0.38 0.00 0.09 -2.02 0.00 0.00 178.31 176.00 2pqj n ASN 223 N -5.26 0.87 -4.79 0.41 3.02 -1.26 -0.60 115.26 107.65 2pqj n ASN 223 Ca 0.02 -2.04 -0.37 0.00 -0.03 0.00 0.00 54.58 52.16 2pqj n ASN 223 Cb 0.27 -0.30 -0.06 0.00 -0.61 0.00 0.00 39.78 39.07 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 -0.48 7.29 0.04 6.41 0.15 0.58 -5.00 113.70 122.70 2pqj s SER 224 Ca 0.04 1.69 -0.31 0.00 0.70 0.00 0.00 55.95 58.07 2pqj s SER 224 Cb 0.02 -2.52 -0.18 0.00 -1.71 0.00 0.00 66.02 61.63 2pqj s SER 224 CO 0.02 0.02 1.42 -0.61 1.20 0.00 0.00 173.24 175.28 2pqj h GLN 225 N 3.47 -0.90 0.00 5.44 4.15 -1.90 -2.66 115.11 122.71 2pqj h GLN 225 Ca -0.47 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.01 2pqj h GLN 225 Cb 1.19 0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.09 2pqj h GLN 225 CO 0.65 -0.57 0.00 0.72 -1.93 0.00 0.00 178.83 177.70 2pqj n HIS 226 N -5.45 0.00 -4.37 3.99 -0.00 -1.26 -4.93 115.22 103.21 2pqj n HIS 226 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.59 2pqj n HIS 226 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 2pqj n HIS 226 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2pqj n GLY 227 N -0.73 -0.05 3.63 -1.41 0.00 -1.00 -4.90 105.19 100.72 2pqj n GLY 227 Ca 0.02 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 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 0.00 0.00 0.30 1.61 0.11 -1.20 -4.71 120.40 116.51 2pqj s VAL 228 Ca 0.00 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.08 2pqj s VAL 228 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 2pqj s VAL 228 CO 0.00 0.00 0.09 0.42 -3.33 0.00 0.00 175.10 172.28 2pqj s THR 229 N 0.45 0.80 0.45 5.04 -4.23 -1.26 0.72 115.64 117.61 2pqj s THR 229 Ca -0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 2pqj s THR 229 Cb -0.05 -2.67 0.01 0.00 1.34 0.00 0.00 72.50 71.12 2pqj s THR 229 CO -0.02 0.00 0.64 -0.76 -0.54 0.00 0.00 174.62 173.94 2pqj s LEU 230 N -3.41 3.61 0.40 4.79 1.43 -1.26 -4.99 118.68 119.25 2pqj s LEU 230 Ca 0.36 -0.03 -0.10 0.00 -1.03 0.00 0.00 54.13 53.34 2pqj s LEU 230 Cb 0.08 -2.90 -0.06 0.00 0.03 0.00 0.00 46.19 43.34 2pqj s LEU 230 CO 0.15 -0.78 0.75 0.42 0.23 0.00 0.00 176.35 177.11 2pqj s THR 231 N -2.50 4.82 0.47 5.49 -4.23 -1.26 -4.41 115.64 114.01 2pqj s THR 231 Ca 0.51 0.54 0.16 0.00 -1.18 0.00 0.00 61.69 61.73 2pqj s THR 231 Cb -0.10 -3.74 0.33 0.00 1.34 0.00 0.00 72.50 70.33 2pqj s THR 231 CO 0.36 -0.52 2.01 0.58 -0.54 0.00 0.00 174.62 176.50 2pqj h VAL 232 N 1.07 0.88 -0.27 2.29 2.07 -1.98 0.68 116.25 120.99 2pqj h VAL 232 Ca -0.47 -0.09 -0.13 0.00 0.82 0.00 0.00 66.70 66.83 2pqj h VAL 232 Cb 1.19 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2pqj h VAL 232 CO 0.64 0.05 -0.37 0.74 0.02 0.00 0.00 177.57 178.65 2pqj h THR 233 N 0.27 1.29 0.18 2.57 2.02 -1.98 -2.15 112.91 115.11 2pqj h THR 233 Ca 0.23 -1.52 -0.01 0.00 0.77 0.00 0.00 66.41 65.89 2pqj h THR 233 Cb 0.56 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2pqj h THR 233 CO -0.05 0.48 -0.09 1.56 0.37 0.00 0.00 175.52 177.80 2pqj h GLN 234 N 0.51 -0.23 -0.89 6.66 4.20 -1.28 -1.34 115.11 122.73 2pqj h GLN 234 Ca 0.05 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.87 2pqj h GLN 234 Cb 0.87 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.63 2pqj h GLN 234 CO 0.07 -0.05 0.54 0.78 -0.67 0.00 0.00 178.83 179.51 2pqj h GLY 235 N -0.38 1.40 1.16 3.46 0.00 -1.20 0.49 103.07 108.01 2pqj h GLY 235 Ca -0.02 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 2pqj h GLY 235 CO 0.04 0.18 0.24 0.07 0.00 0.00 0.00 176.54 177.07 2pqj h LYS 236 N 0.91 1.06 -0.30 4.80 -0.00 -1.19 0.02 116.57 121.87 2pqj h LYS 236 Ca 0.42 -0.20 -0.15 0.00 -0.00 0.00 0.00 60.65 60.72 2pqj h LYS 236 Cb 0.35 -0.17 -0.00 0.00 -0.00 0.00 0.00 32.23 32.41 2pqj h LYS 236 CO -0.23 0.89 -0.40 1.96 -0.00 0.00 0.00 179.45 181.66 2pqj h GLN 237 N 1.03 0.80 -0.04 0.07 4.20 0.05 -3.12 115.11 118.10 2pqj h GLN 237 Ca 0.23 -0.46 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2pqj h GLN 237 Cb 0.25 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 2pqj h GLN 237 CO -0.01 1.09 0.02 0.28 -0.67 0.00 0.00 178.83 179.54 2pqj h VAL 238 N 0.56 1.01 0.00 -0.54 2.07 0.31 -0.56 116.25 119.09 2pqj h VAL 238 Ca 0.03 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2pqj h VAL 238 Cb 1.00 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2pqj h VAL 238 CO 0.09 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.69 2pqj n GLN 239 N -5.06 0.28 -0.19 1.57 6.02 -0.04 -1.48 117.38 118.47 2pqj n GLN 239 Ca -0.06 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.00 2pqj n GLN 239 Cb 0.03 -1.37 0.15 0.00 1.02 0.00 0.00 30.24 30.08 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 -0.87 2.35 -0.25 -1.09 4.76 -0.23 -4.80 118.16 118.04 2pqj n LYS 240 Ca 0.05 -2.39 0.03 0.00 -2.87 0.00 0.00 58.31 53.14 2pqj n LYS 240 Cb 0.02 -1.48 0.13 0.00 -1.84 0.00 0.00 35.03 31.86 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 0.87 -0.16 0.00 2.13 7.01 -1.22 0.21 115.95 124.80 2pqj h TRP 241 Ca 0.00 0.06 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 2pqj h TRP 241 Cb 1.01 0.18 -0.00 0.00 -2.10 0.00 0.00 29.16 28.25 2pqj h TRP 241 CO 0.19 -0.26 -0.17 0.22 -2.79 0.00 0.00 178.44 175.64 2pqj h ASP 242 N 0.07 0.00 0.17 2.65 -0.00 -1.87 -0.18 116.42 117.26 2pqj h ASP 242 Ca 0.38 0.00 -0.29 0.00 -0.00 0.00 0.00 57.03 57.12 2pqj h ASP 242 Cb 0.64 0.00 0.02 0.00 -0.00 0.00 0.00 39.33 39.99 2pqj h ASP 242 CO -0.68 0.17 -1.38 0.03 -0.00 0.00 0.00 179.24 177.38 2pqj h ARG 243 N 0.00 0.36 -0.66 0.28 3.08 -1.15 -2.65 114.38 113.65 2pqj h ARG 243 Ca -0.00 -0.62 0.05 0.00 0.07 0.00 0.00 59.98 59.48 2pqj h ARG 243 Cb 0.65 0.23 -0.04 0.00 0.08 0.00 0.00 29.97 30.89 2pqj h ARG 243 CO 0.02 1.30 0.44 0.82 -1.07 0.00 0.00 179.97 181.48 2pqj h ILE 244 N -0.12 1.06 -0.66 2.04 2.04 -0.44 -0.47 117.51 120.96 2pqj h ILE 244 Ca -0.27 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.31 2pqj h ILE 244 Cb 1.91 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 2pqj h ILE 244 CO 0.16 0.13 0.30 0.28 0.00 0.00 0.00 178.15 179.02 2pqj h SER 245 N 0.74 0.88 0.17 1.72 0.02 -1.09 -1.64 113.55 114.35 2pqj h SER 245 Ca 0.27 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 2pqj h SER 245 Cb 0.16 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 2pqj h SER 245 CO -0.08 0.78 -0.19 0.11 -1.14 0.00 0.00 176.83 176.31 2pqj h LYS 246 N 0.92 0.05 0.00 3.45 6.56 -0.80 -1.71 116.57 125.05 2pqj h LYS 246 Ca 0.23 -0.01 -0.04 0.00 -1.06 0.00 0.00 60.65 59.77 2pqj h LYS 246 Cb 0.15 -0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 31.80 2pqj h LYS 246 CO -0.03 0.25 -0.18 0.00 -2.06 0.00 0.00 179.45 177.44 2pqj h ALA 247 N 1.76 0.97 -0.14 3.86 0.00 -0.26 -2.73 119.26 122.72 2pqj h ALA 247 Ca 0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 2pqj h ALA 247 Cb 0.37 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2pqj h ALA 247 CO 0.03 0.22 -0.14 0.00 0.00 0.00 0.00 179.25 179.35 2pqj h ALA 248 N 1.82 0.20 0.00 0.00 0.00 -0.49 0.83 119.26 121.62 2pqj h ALA 248 Ca -0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 2pqj h ALA 248 Cb 0.80 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2pqj h ALA 248 CO 0.02 0.08 -0.21 0.74 0.00 0.00 0.00 179.25 179.89 2pqj h PHE 249 N -0.04 0.00 0.01 0.00 -1.00 -1.46 0.20 116.94 114.65 2pqj h PHE 249 Ca 0.02 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 2pqj h PHE 249 Cb 0.68 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.24 2pqj h PHE 249 CO 0.09 0.21 -0.01 1.49 -1.61 0.00 0.00 178.31 178.48 2pqj h GLU 250 N 0.00 -0.02 0.00 1.51 4.81 -1.25 -2.55 114.58 117.09 2pqj h GLU 250 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2pqj h GLU 250 Cb 0.44 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.82 2pqj h GLU 250 CO 0.03 0.59 0.00 -1.49 -0.73 0.00 0.00 179.01 177.41 2pqj h TRP 251 N -0.65 0.00 0.00 0.92 6.55 -0.39 0.21 115.95 122.59 2pqj h TRP 251 Ca -0.00 0.00 -0.15 0.00 0.95 0.00 0.00 58.89 59.69 2pqj h TRP 251 Cb 0.62 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.90 2pqj h TRP 251 CO 0.14 0.00 -0.70 0.00 -1.05 0.00 0.00 178.44 176.83 2pqj h ALA 252 N 2.02 0.78 0.00 1.49 0.00 -0.47 -1.86 119.26 121.21 2pqj h ALA 252 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2pqj h ALA 252 Cb 0.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2pqj h ALA 252 CO 0.00 0.88 -1.07 -0.25 0.00 0.00 0.00 179.25 178.80 2pqj n ASP 253 N -3.61 0.64 -2.75 0.00 8.00 0.29 -4.63 116.55 114.49 2pqj n ASP 253 Ca -0.01 0.07 -0.08 0.00 0.71 0.00 0.00 54.79 55.48 2pqj n ASP 253 Cb 0.71 0.71 0.06 0.00 -0.02 0.00 0.00 41.12 42.57 2pqj n ASP 253 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2pqj n HIS 254 N -2.30 -3.21 0.19 1.24 -0.00 0.46 -4.98 115.22 106.64 2pqj n HIS 254 Ca 0.01 -1.86 0.01 0.00 0.46 0.00 0.00 57.72 56.33 2pqj n HIS 254 Cb 0.50 1.57 0.05 0.00 -0.12 0.00 0.00 29.99 31.98 2pqj n HIS 254 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2pqj h PRO 255 N 3.75 0.00 0.07 1.57 0.11 -1.56 -0.75 132.00 135.19 2pqj h PRO 255 Ca -0.14 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.73 2pqj h PRO 255 Cb 1.05 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2pqj h PRO 255 CO 0.28 0.00 -1.13 1.79 -0.21 0.00 0.00 178.00 178.73 2pqj h THR 256 N 0.00 1.57 -4.50 -1.15 1.35 -1.94 -3.46 112.91 104.80 2pqj h THR 256 Ca 0.00 -3.15 -0.49 0.00 -0.55 0.00 0.00 66.41 62.22 2pqj h THR 256 Cb 1.48 2.87 0.08 0.00 -1.73 0.00 0.00 68.15 70.85 2pqj h THR 256 CO 0.00 0.91 0.41 0.00 -0.25 0.00 0.00 175.52 176.60 2pqj s ALA 257 N -2.73 2.86 -0.13 6.62 0.00 -0.29 -5.04 121.76 123.05 2pqj s ALA 257 Ca -0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 51.43 2pqj s ALA 257 Cb 0.08 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 20.14 2pqj s ALA 257 CO 0.86 -1.22 0.26 0.08 0.00 0.00 0.00 175.76 175.74 2pqj s VAL 258 N -3.39 5.32 -0.81 0.00 1.01 -1.26 -4.95 120.40 116.30 2pqj s VAL 258 Ca 0.59 0.48 0.02 0.00 0.00 0.00 0.00 61.98 63.06 2pqj s VAL 258 Cb -0.11 -3.58 0.25 0.00 0.00 0.00 0.00 36.38 32.94 2pqj s VAL 258 CO 0.51 0.48 0.91 -0.38 0.00 0.00 0.00 175.10 176.62 2pqj n ILE 259 N 2.94 3.17 -0.57 2.22 2.08 -1.26 -4.94 119.36 123.01 2pqj n ILE 259 Ca -0.14 -5.34 0.44 0.00 0.56 0.00 0.00 62.75 58.27 2pqj n ILE 259 Cb 0.53 -2.17 0.70 0.00 -0.75 0.00 0.00 39.64 37.94 2pqj n ILE 259 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2pqj n PRO 260 N 1.40 -0.01 -0.19 0.38 -0.04 -1.26 0.44 135.00 135.72 2pqj n PRO 260 Ca 0.26 1.03 -0.05 0.00 -0.04 0.00 0.00 63.50 64.70 2pqj n PRO 260 Cb 0.38 -2.25 0.04 0.00 -0.04 0.00 0.00 33.50 31.63 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 0.59 -0.03 3.54 3.45 -1.96 -2.04 116.42 119.96 2pqj h ASP 261 Ca 0.83 -0.00 -0.02 0.00 0.43 0.00 0.00 57.03 58.26 2pqj h ASP 261 Cb 3.11 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 41.75 2pqj h ASP 261 CO -0.16 0.41 -0.08 0.24 -1.57 0.00 0.00 179.24 178.09 2pqj h MET 262 N 0.71 0.11 -0.12 3.56 2.86 0.91 -3.29 114.93 119.66 2pqj h MET 262 Ca 0.22 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 2pqj h MET 262 Cb -0.01 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2pqj h MET 262 CO -0.08 0.68 -0.07 1.04 1.06 0.00 0.00 176.91 179.53 2pqj n GLN 263 N -4.70 -0.05 0.29 1.72 1.13 -0.76 0.42 117.38 115.42 2pqj n GLN 263 Ca -0.08 0.91 0.11 0.00 -1.94 0.00 0.00 57.00 56.00 2pqj n GLN 263 Cb 0.35 -1.36 0.61 0.00 0.11 0.00 0.00 30.24 29.94 2pqj n GLN 263 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 2pqj h LYS 264 N 0.00 0.00 -0.17 -1.09 1.79 -1.50 0.81 116.57 116.41 2pqj h LYS 264 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 2pqj h LYS 264 Cb 0.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2pqj h LYS 264 CO -0.11 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.54 2pqj n LEU 265 N -2.62 2.54 0.00 2.94 4.77 0.17 -4.92 117.00 119.88 2pqj n LEU 265 Ca -0.01 -0.99 0.00 0.00 -0.03 0.00 0.00 56.01 54.98 2pqj n LEU 265 Cb 0.43 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2pqj n LEU 265 CO 0.10 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2pqj n GLY 266 N 1.31 0.61 3.19 -0.72 0.00 0.28 -4.87 105.19 105.00 2pqj n GLY 266 Ca 0.17 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 3.50 -0.01 -0.61 1.01 -0.76 -5.00 121.20 117.33 2pqj s ILE 267 Ca 0.00 -1.61 -0.23 0.00 0.00 0.00 0.00 60.65 58.81 2pqj s ILE 267 Cb 0.00 -3.19 -0.19 0.00 0.01 0.00 0.00 42.46 39.09 2pqj s ILE 267 CO 0.00 -0.43 1.21 0.11 0.00 0.00 0.00 174.94 175.83 2pqj h LYS 268 N 8.14 0.22 0.00 2.79 6.56 -1.87 -2.68 116.57 129.73 2pqj h LYS 268 Ca -0.19 -0.15 -0.30 0.00 -1.06 0.00 0.00 60.65 58.95 2pqj h LYS 268 Cb 1.06 0.02 -0.07 0.00 -0.57 0.00 0.00 32.23 32.67 2pqj h LYS 268 CO 0.66 0.76 -0.20 -0.40 -2.06 0.00 0.00 179.45 178.20 2pqj n ASP 269 N -4.59 -1.09 0.24 0.86 5.68 -1.26 -4.75 116.55 111.63 2pqj n ASP 269 Ca -0.08 -2.78 0.16 0.00 -0.50 0.00 0.00 54.79 51.58 2pqj n ASP 269 Cb 0.40 2.11 0.84 0.00 -1.14 0.00 0.00 41.12 43.32 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 0.79 0.11 5.09 -1.92 -1.59 116.57 119.05 2pqj h LYS 270 Ca -0.24 0.00 -0.04 0.00 0.09 0.00 0.00 60.65 60.46 2pqj h LYS 270 Cb 1.08 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.42 2pqj h LYS 270 CO 0.33 0.00 -0.38 -0.97 -2.09 0.00 0.00 179.45 176.34 2pqj h ASN 271 N 0.00 -0.90 -0.22 7.07 -1.24 -1.96 0.26 115.58 118.59 2pqj h ASN 271 Ca 0.05 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 2pqj h ASN 271 Cb 0.28 0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.55 2pqj h ASN 271 CO -0.00 -0.59 0.10 -0.08 -1.29 0.00 0.00 177.43 175.57 2pqj h GLU 272 N -1.16 0.37 0.24 6.67 4.81 -1.80 -1.65 114.58 122.05 2pqj h GLU 272 Ca -0.11 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 2pqj h GLU 272 Cb 0.83 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2pqj h GLU 272 CO 0.18 0.31 -0.11 0.00 -0.73 0.00 0.00 179.01 178.66 2pqj h ALA 273 N 1.75 -0.32 -1.57 2.92 0.00 -1.19 -2.15 119.26 118.70 2pqj h ALA 273 Ca 0.09 -0.18 0.51 0.00 0.00 0.00 0.00 54.91 55.33 2pqj h ALA 273 Cb 0.09 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 17.88 2pqj h ALA 273 CO -0.01 -0.50 1.06 0.00 0.00 0.00 0.00 179.25 179.79 2pqj h ALA 274 N -0.03 3.16 -0.10 0.00 0.00 0.45 0.63 119.26 123.37 2pqj h ALA 274 Ca -0.03 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2pqj h ALA 274 Cb 0.47 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2pqj h ALA 274 CO 0.05 -1.82 -0.11 0.00 0.00 0.00 0.00 179.25 177.37 2pqj h ARG 275 N 0.00 0.25 0.00 0.00 3.08 -0.85 -3.39 114.38 113.47 2pqj h ARG 275 Ca 0.91 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.82 2pqj h ARG 275 Cb 3.15 0.01 0.00 0.00 0.08 0.00 0.00 29.97 33.21 2pqj h ARG 275 CO -0.33 0.68 0.00 -0.89 -1.07 0.00 0.00 179.97 178.36 2pqj n ILE 276 N -4.63 0.00 -2.92 2.04 5.41 0.22 -4.50 119.36 114.98 2pqj n ILE 276 Ca -0.07 0.90 -0.41 0.00 1.00 0.00 0.00 62.75 64.17 2pqj n ILE 276 Cb 0.34 -1.72 -0.04 0.00 -0.71 0.00 0.00 39.64 37.51 2pqj n ILE 276 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 2pqj s VAL 277 N -1.43 4.95 -0.07 1.39 -7.23 -1.00 0.16 120.40 117.18 2pqj s VAL 277 Ca 0.00 1.66 -0.08 0.00 -1.81 0.00 0.00 61.98 61.74 2pqj s VAL 277 Cb 0.00 -4.14 -0.05 0.00 0.56 0.00 0.00 36.38 32.75 2pqj s VAL 277 CO 0.00 0.16 0.33 0.00 -0.31 0.00 0.00 175.10 175.28 2pqj h ALA 278 N 6.93 -0.26 -2.45 1.32 0.00 0.28 -3.45 119.26 121.63 2pqj h ALA 278 Ca -0.38 -0.07 -0.53 0.00 0.00 0.00 0.00 54.91 53.93 2pqj h ALA 278 Cb 1.18 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2pqj h ALA 278 CO 0.78 -0.25 -0.53 -0.51 0.00 0.00 0.00 179.25 178.74 2pqj s LEU 279 N -8.83 3.91 0.24 0.00 1.43 -0.88 -4.07 118.68 110.48 2pqj s LEU 279 Ca -0.04 -0.13 0.08 0.00 -1.03 0.00 0.00 54.13 53.01 2pqj s LEU 279 Cb 0.00 -2.48 -0.05 0.00 0.03 0.00 0.00 46.19 43.70 2pqj s LEU 279 CO 0.14 0.01 -0.14 -0.69 0.23 0.00 0.00 176.35 175.90 2pqj s VAL 280 N -1.92 1.89 -0.27 -1.59 1.01 -0.91 -4.87 120.40 113.75 2pqj s VAL 280 Ca 0.32 -2.24 -0.04 0.00 0.00 0.00 0.00 61.98 60.02 2pqj s VAL 280 Cb -0.09 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2pqj s VAL 280 CO 0.25 -0.48 0.01 -0.75 0.00 0.00 0.00 175.10 174.12 2pqj s LYS 281 N -3.63 3.04 0.00 2.72 2.20 -1.26 -0.78 119.74 122.02 2pqj s LYS 281 Ca 0.26 -0.87 0.09 0.00 -0.36 0.00 0.00 55.97 55.09 2pqj s LYS 281 Cb -0.01 -3.17 0.56 0.00 -1.51 0.00 0.00 37.83 33.70 2pqj s LYS 281 CO 0.10 -0.39 1.00 0.27 -0.36 0.00 0.00 175.35 175.97