#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hqj s THR 2 N 0.00 2.61 -0.23 3.17 2.01 -1.26 -4.32 115.64 117.63 2hqj s THR 2 Ca 0.00 0.57 -0.29 0.00 0.31 0.00 0.00 61.69 62.28 2hqj s THR 2 Cb 0.00 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.16 2hqj s THR 2 CO 0.00 0.11 1.14 0.20 -0.69 0.00 0.00 174.62 175.38 2hqj s ASN 3 N -0.61 6.98 0.77 3.53 0.01 -1.26 -4.83 114.94 119.53 2hqj s ASN 3 Ca 0.54 1.42 -0.15 0.00 -0.71 0.00 0.00 52.86 53.96 2hqj s ASN 3 Cb -0.39 -2.54 0.03 0.00 0.41 0.00 0.00 41.25 38.76 2hqj s ASN 3 CO 0.51 -0.77 0.94 -0.81 -1.51 0.00 0.00 177.10 175.46 2hqj n PRO 4 N 6.59 0.31 -5.16 -0.60 -0.04 -1.25 -4.72 135.00 130.12 2hqj n PRO 4 Ca 0.13 0.16 -0.30 0.00 -0.04 0.00 0.00 63.50 63.45 2hqj n PRO 4 Cb 0.46 -2.21 -0.16 0.00 -0.04 0.00 0.00 33.50 31.54 2hqj n PRO 4 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2hqj s LYS 5 N -3.54 2.48 0.13 0.54 1.02 -1.26 -1.54 119.74 117.57 2hqj s LYS 5 Ca 0.71 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.90 2hqj s LYS 5 Cb -0.32 -2.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.89 2hqj s LYS 5 CO 0.53 0.31 -0.09 0.14 -0.92 0.00 0.00 175.35 175.32 2hqj s VAL 6 N -0.01 0.98 0.10 3.17 -7.23 0.02 -1.21 120.40 116.22 2hqj s VAL 6 Ca -0.07 -1.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.16 2hqj s VAL 6 Cb -0.14 -1.76 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 2hqj s VAL 6 CO 0.04 -0.78 -0.12 0.72 -0.31 0.00 0.00 175.10 174.65 2hqj s PHE 7 N -3.38 1.18 -0.03 2.82 -0.71 -0.21 -0.44 117.98 117.20 2hqj s PHE 7 Ca 0.14 -0.59 0.06 0.00 -1.04 0.00 0.00 56.93 55.51 2hqj s PHE 7 Cb 0.03 -0.64 -0.01 0.00 -1.21 0.00 0.00 43.02 41.19 2hqj s PHE 7 CO -0.01 0.05 -0.22 -0.06 -1.34 0.00 0.00 175.22 173.64 2hqj s PHE 8 N -2.11 2.05 -0.13 3.49 0.08 -0.48 -2.40 117.98 118.48 2hqj s PHE 8 Ca 0.05 -0.49 -0.05 0.00 0.12 0.00 0.00 56.93 56.56 2hqj s PHE 8 Cb -0.05 -1.34 -0.04 0.00 -0.57 0.00 0.00 43.02 41.02 2hqj s PHE 8 CO 0.01 -0.11 0.04 -0.51 -0.10 0.00 0.00 175.22 174.56 2hqj s ASP 9 N -0.32 5.52 -0.05 1.36 1.01 0.11 -1.10 116.67 123.21 2hqj s ASP 9 Ca 0.03 0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.47 2hqj s ASP 9 Cb -0.10 -1.79 -0.03 0.00 1.01 0.00 0.00 42.92 42.01 2hqj s ASP 9 CO 0.01 0.28 -0.15 -0.63 0.21 0.00 0.00 175.17 174.89 2hqj s ILE 10 N -0.30 2.98 0.04 0.77 -1.09 -0.22 -0.97 121.20 122.41 2hqj s ILE 10 Ca 0.08 -0.76 0.08 0.00 -2.23 0.00 0.00 60.65 57.82 2hqj s ILE 10 Cb -0.12 -2.16 -0.03 0.00 -1.58 0.00 0.00 42.46 38.58 2hqj s ILE 10 CO 0.02 0.59 -0.22 -0.94 -1.23 0.00 0.00 174.94 173.15 2hqj s SER 11 N -0.71 2.66 -0.11 3.58 1.04 0.13 0.21 113.70 120.50 2hqj s SER 11 Ca 0.11 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 56.02 2hqj s SER 11 Cb -0.11 -0.23 0.01 0.00 0.10 0.00 0.00 66.02 65.80 2hqj s SER 11 CO 0.00 0.19 -0.18 -0.63 0.98 0.00 0.00 173.24 173.60 2hqj s ILE 12 N -0.80 1.68 -0.60 -1.02 1.01 0.24 -0.85 121.20 120.85 2hqj s ILE 12 Ca 0.09 -0.76 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 2hqj s ILE 12 Cb -0.09 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 40.89 2hqj s ILE 12 CO 0.02 0.48 0.33 0.47 0.00 0.00 0.00 174.94 176.24 2hqj n ASP 13 N 4.08 -1.99 -1.57 3.58 8.00 -1.03 -0.90 116.55 126.73 2hqj n ASP 13 Ca -0.19 -0.65 -0.20 0.00 0.71 0.00 0.00 54.79 54.45 2hqj n ASP 13 Cb 0.51 -0.78 -0.09 0.00 -0.02 0.00 0.00 41.12 40.75 2hqj n ASP 13 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2hqj n ASN 14 N -0.58 -5.44 -4.47 -2.24 3.02 -1.26 -4.98 115.26 99.30 2hqj n ASN 14 Ca -0.06 0.49 -0.33 0.00 -0.03 0.00 0.00 54.58 54.65 2hqj n ASN 14 Cb 0.28 -4.72 -0.13 0.00 -0.61 0.00 0.00 39.78 34.60 2hqj n ASN 14 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2hqj s LYS 15 N -3.74 3.45 0.03 3.52 2.20 -0.08 -5.08 119.74 120.04 2hqj s LYS 15 Ca 0.00 -0.58 -0.36 0.00 -0.36 0.00 0.00 55.97 54.67 2hqj s LYS 15 Cb 0.00 -2.77 -0.15 0.00 -1.51 0.00 0.00 37.83 33.40 2hqj s LYS 15 CO 0.00 0.29 1.53 0.00 -0.36 0.00 0.00 175.35 176.81 2hqj n ALA 16 N 3.34 -0.01 0.34 3.13 0.00 -1.26 -0.59 120.51 125.46 2hqj n ALA 16 Ca -0.18 0.45 0.04 0.00 0.00 0.00 0.00 53.44 53.75 2hqj n ALA 16 Cb 0.53 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 2hqj n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hqj n ALA 17 N 3.65 2.91 0.00 0.00 0.00 0.13 -4.84 120.51 122.36 2hqj n ALA 17 Ca 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2hqj n ALA 17 Cb 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 19.45 19.40 2hqj n ALA 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hqj n GLY 18 N 1.10 -0.55 3.49 0.00 0.00 -1.21 -4.84 105.19 103.17 2hqj n GLY 18 Ca 0.02 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.45 2hqj n GLY 18 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hqj s ARG 19 N -0.62 2.92 -0.21 1.61 3.52 -1.26 -1.05 118.95 123.85 2hqj s ARG 19 Ca 0.00 -0.63 -0.04 0.00 -0.13 0.00 0.00 55.73 54.93 2hqj s ARG 19 Cb 0.00 -2.56 -0.01 0.00 -1.56 0.00 0.00 34.95 30.81 2hqj s ARG 19 CO 0.00 0.50 -0.04 0.42 -0.81 0.00 0.00 175.30 175.37 2hqj s ILE 20 N -0.38 3.53 -0.12 4.11 1.01 -0.26 -4.07 121.20 125.03 2hqj s ILE 20 Ca 0.05 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.24 2hqj s ILE 20 Cb -0.12 -2.59 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 2hqj s ILE 20 CO 0.02 0.43 -0.07 -0.69 0.00 0.00 0.00 174.94 174.63 2hqj s VAL 21 N 1.21 3.60 -0.02 2.92 1.01 -0.32 -1.38 120.40 127.43 2hqj s VAL 21 Ca 0.03 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.58 2hqj s VAL 21 Cb -0.14 -2.52 -0.01 0.00 0.00 0.00 0.00 36.38 33.70 2hqj s VAL 21 CO -0.01 0.54 -0.20 -0.04 0.00 0.00 0.00 175.10 175.40 2hqj s MET 22 N -0.08 1.61 -0.06 2.72 -1.94 0.42 -0.48 119.30 121.50 2hqj s MET 22 Ca 0.00 -0.70 -0.12 0.00 -1.71 0.00 0.00 55.69 53.17 2hqj s MET 22 Cb -0.13 -1.55 -0.05 0.00 2.01 0.00 0.00 34.83 35.11 2hqj s MET 22 CO 0.03 0.41 0.29 -2.00 -0.01 0.00 0.00 175.02 173.75 2hqj s GLU 23 N -0.44 3.78 -0.14 2.03 2.12 -0.14 -0.80 118.70 125.12 2hqj s GLU 23 Ca 0.07 0.17 -0.01 0.00 0.36 0.00 0.00 54.97 55.56 2hqj s GLU 23 Cb -0.08 -3.23 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 2hqj s GLU 23 CO -0.01 0.67 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.77 2hqj s LEU 24 N -0.87 2.86 -1.44 2.70 1.43 -0.59 -1.77 118.68 121.00 2hqj s LEU 24 Ca 0.20 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 2hqj s LEU 24 Cb -0.14 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 2hqj s LEU 24 CO 0.09 0.16 2.45 -1.22 0.23 0.00 0.00 176.35 178.06 2hqj n TYR 25 N 3.57 2.92 0.27 0.29 4.01 0.28 -3.93 117.16 124.57 2hqj n TYR 25 Ca -0.18 -2.88 0.11 0.00 -0.16 0.00 0.00 57.90 54.79 2hqj n TYR 25 Cb 0.53 -2.43 0.74 0.00 -0.31 0.00 0.00 39.34 37.87 2hqj n TYR 25 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2hqj h ALA 26 N 5.83 1.78 -0.04 -0.72 0.00 -1.85 -0.22 119.26 124.04 2hqj h ALA 26 Ca 0.66 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 2hqj h ALA 26 Cb 0.50 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2hqj h ALA 26 CO 1.84 0.02 -0.00 0.38 0.00 0.00 0.00 179.25 181.48 2hqj h ASP 27 N 0.00 0.05 0.00 0.00 3.04 -1.82 -3.11 116.42 114.58 2hqj h ASP 27 Ca -0.00 -0.00 -0.26 0.00 -3.24 0.00 0.00 57.03 53.53 2hqj h ASP 27 Cb 0.02 -0.01 -0.04 0.00 -1.04 0.00 0.00 39.33 38.26 2hqj h ASP 27 CO 0.00 0.07 -1.92 0.41 -2.04 0.00 0.00 179.24 175.76 2hqj n THR 28 N -4.50 0.91 -3.41 1.15 -1.04 -0.73 -4.86 114.28 101.81 2hqj n THR 28 Ca -0.02 -0.28 -0.26 0.00 -2.04 0.00 0.00 64.05 61.44 2hqj n THR 28 Cb 0.11 -1.42 -0.09 0.00 -1.82 0.00 0.00 70.33 67.11 2hqj n THR 28 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 2hqj n VAL 29 N -3.39 0.02 -0.05 12.58 0.24 -0.17 -4.97 118.33 122.59 2hqj n VAL 29 Ca -0.31 -4.16 0.00 0.00 -2.04 0.00 0.00 64.34 57.84 2hqj n VAL 29 Cb 0.76 -1.92 0.30 0.00 -1.47 0.00 0.00 33.84 31.51 2hqj n VAL 29 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2hqj h PRO 30 N 4.78 0.64 -0.33 7.34 0.13 -1.73 -1.98 132.00 140.85 2hqj h PRO 30 Ca 0.17 -0.10 -0.15 0.00 -0.87 0.00 0.00 66.00 65.05 2hqj h PRO 30 Cb 0.83 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 2hqj h PRO 30 CO 0.54 0.56 -0.39 -0.22 -0.23 0.00 0.00 178.00 178.25 2hqj h LYS 31 N 0.63 0.84 -0.48 0.86 3.64 -1.95 -1.27 116.57 118.84 2hqj h LYS 31 Ca 0.15 -0.47 -0.12 0.00 -1.27 0.00 0.00 60.65 58.93 2hqj h LYS 31 Cb 0.19 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2hqj h LYS 31 CO -0.01 1.11 -0.18 1.15 -2.27 0.00 0.00 179.45 179.25 2hqj h THR 32 N 0.63 1.27 -0.47 1.00 2.02 -1.94 -1.44 112.91 113.97 2hqj h THR 32 Ca 0.04 -1.34 -0.09 0.00 0.77 0.00 0.00 66.41 65.79 2hqj h THR 32 Cb 0.99 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 2hqj h THR 32 CO 0.09 0.46 -0.05 0.00 0.37 0.00 0.00 175.52 176.39 2hqj h ALA 33 N 0.87 0.65 -0.45 6.16 0.00 -1.33 -2.54 119.26 122.62 2hqj h ALA 33 Ca 0.11 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 2hqj h ALA 33 Cb 0.76 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 2hqj h ALA 33 CO 0.06 0.50 -0.23 1.49 0.00 0.00 0.00 179.25 181.06 2hqj h GLU 34 N 0.72 0.95 -0.07 0.00 4.57 -1.16 0.77 114.58 120.36 2hqj h GLU 34 Ca 0.13 -0.42 0.04 0.00 -1.18 0.00 0.00 59.36 57.92 2hqj h GLU 34 Cb 0.58 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.11 2hqj h GLU 34 CO 0.03 1.09 -0.18 -0.97 -1.18 0.00 0.00 179.01 177.81 2hqj h ASN 35 N 0.80 -0.54 -0.60 1.04 -1.24 -1.24 0.22 115.58 114.03 2hqj h ASN 35 Ca 0.10 0.09 -0.09 0.00 0.71 0.00 0.00 56.30 57.11 2hqj h ASN 35 Cb 0.81 0.24 -0.02 0.00 0.73 0.00 0.00 38.32 40.08 2hqj h ASN 35 CO 0.07 -0.23 0.02 0.15 -1.29 0.00 0.00 177.43 176.15 2hqj h PHE 36 N -0.25 1.12 0.02 0.67 3.57 -1.06 -1.74 116.94 119.27 2hqj h PHE 36 Ca 0.08 -0.19 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 2hqj h PHE 36 Cb 0.36 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2hqj h PHE 36 CO -0.26 0.99 -0.01 -0.09 -2.23 0.00 0.00 178.31 176.71 2hqj h ARG 37 N 0.93 -0.02 -0.01 1.11 2.43 -0.69 -1.54 114.38 116.59 2hqj h ARG 37 Ca 0.17 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.31 2hqj h ARG 37 Cb 0.53 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2hqj h ARG 37 CO 0.03 -0.00 -0.15 0.00 -1.51 0.00 0.00 179.97 178.34 2hqj h ALA 38 N 0.94 1.73 -0.02 2.80 0.00 -0.84 -2.54 119.26 121.34 2hqj h ALA 38 Ca -0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 2hqj h ALA 38 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2hqj h ALA 38 CO 0.00 0.20 -0.75 -0.07 0.00 0.00 0.00 179.25 178.63 2hqj h LEU 39 N 0.02 0.20 -1.11 0.00 3.38 -1.08 -0.70 115.31 116.02 2hqj h LEU 39 Ca 0.00 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2hqj h LEU 39 Cb 0.27 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2hqj h LEU 39 CO 0.02 0.88 0.04 0.00 0.09 0.00 0.00 178.44 179.46 2hqj n THR 41 N -4.26 1.10 -0.99 0.00 -2.24 -0.99 -3.14 114.28 103.75 2hqj n THR 41 Ca 0.02 -0.68 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 2hqj n THR 41 Cb 0.25 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 2hqj n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hqj n GLY 42 N 1.39 0.82 0.30 3.38 0.00 -0.28 -4.93 105.19 105.86 2hqj n GLY 42 Ca -0.10 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.12 2hqj n GLY 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2hqj h GLU 43 N 2.30 0.00 -0.00 1.61 4.11 -1.79 -2.04 114.58 118.77 2hqj h GLU 43 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2hqj h GLU 43 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2hqj h GLU 43 CO 0.00 0.00 -0.06 1.63 0.07 0.00 0.00 179.01 180.65 2hqj n LYS 44 N -2.89 0.43 0.00 1.06 4.76 -1.26 -5.03 118.16 115.23 2hqj n LYS 44 Ca -0.03 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.34 2hqj n LYS 44 Cb 0.06 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 2hqj n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2hqj n GLY 45 N 1.32 0.31 3.87 0.72 0.00 -0.77 -4.90 105.19 105.74 2hqj n GLY 45 Ca 0.13 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 2hqj n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hqj s LYS 46 N 0.00 3.83 0.23 1.61 1.02 -1.26 -0.47 119.74 124.70 2hqj s LYS 46 Ca 0.00 0.29 -0.03 0.00 0.02 0.00 0.00 55.97 56.25 2hqj s LYS 46 Cb 0.00 -2.81 0.05 0.00 -0.52 0.00 0.00 37.83 34.55 2hqj s LYS 46 CO 0.00 0.42 0.31 0.41 -0.92 0.00 0.00 175.35 175.57 2hqj n GLY 47 N 0.35 -0.86 0.19 -3.33 0.00 0.12 -4.78 105.19 96.88 2hqj n GLY 47 Ca -0.03 -1.73 -0.01 0.00 0.00 0.00 0.00 46.02 44.25 2hqj n GLY 47 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2hqj h ARG 48 N 0.00 0.14 -0.08 1.61 3.08 -1.94 -1.06 114.38 116.13 2hqj h ARG 48 Ca -0.10 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 59.91 2hqj h ARG 48 Cb 0.29 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 2hqj h ARG 48 CO 0.08 0.54 0.07 0.66 -1.07 0.00 0.00 179.97 180.24 2hqj h SER 49 N 0.12 0.00 0.00 7.04 4.64 -2.00 -3.46 113.55 119.88 2hqj h SER 49 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2hqj h SER 49 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2hqj h SER 49 CO 0.06 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 2hqj n GLY 50 N -1.45 0.73 3.94 -0.77 0.00 -0.40 -5.07 105.19 102.17 2hqj n GLY 50 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2hqj n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hqj s LYS 51 N -0.32 3.50 0.23 1.61 -0.14 -1.26 -4.74 119.74 118.61 2hqj s LYS 51 Ca 0.00 -0.39 -0.31 0.00 -1.36 0.00 0.00 55.97 53.91 2hqj s LYS 51 Cb 0.00 -2.77 -0.11 0.00 -1.68 0.00 0.00 37.83 33.27 2hqj s LYS 51 CO 0.00 0.30 1.64 -2.14 -0.76 0.00 0.00 175.35 174.39 2hqj s PRO 52 N -3.81 4.15 -1.22 -1.68 0.02 -1.26 0.14 135.00 131.34 2hqj s PRO 52 Ca 0.39 2.54 -0.20 0.00 0.02 0.00 0.00 61.00 63.75 2hqj s PRO 52 Cb -0.10 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 2hqj s PRO 52 CO 0.32 -0.67 1.87 1.28 -0.33 0.00 0.00 177.00 179.47 2hqj n LEU 53 N 3.33 4.17 -3.64 -5.54 4.77 0.38 -4.77 117.00 115.70 2hqj n LEU 53 Ca 0.13 -3.52 -0.07 0.00 -0.03 0.00 0.00 56.01 52.51 2hqj n LEU 53 Cb 0.37 -1.69 -0.07 0.00 -2.33 0.00 0.00 43.42 39.70 2hqj n LEU 53 CO 0.63 -0.71 0.56 -2.28 -1.33 0.00 0.00 177.39 174.26 2hqj s HIS 54 N 7.26 -0.72 -1.45 -1.77 2.46 -1.25 -3.90 115.29 115.91 2hqj s HIS 54 Ca 0.60 1.55 0.29 0.00 0.47 0.00 0.00 55.06 57.97 2hqj s HIS 54 Cb 0.03 0.42 1.23 0.00 -0.13 0.00 0.00 32.58 34.13 2hqj s HIS 54 CO 0.10 -0.35 1.87 0.66 -2.47 0.00 0.00 174.74 174.54 2hqj n TYR 55 N 3.35 0.00 -1.77 3.88 4.01 -0.06 -4.86 117.16 121.70 2hqj n TYR 55 Ca -0.17 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.15 2hqj n TYR 55 Cb 0.57 -0.25 -0.03 0.00 -0.31 0.00 0.00 39.34 39.32 2hqj n TYR 55 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2hqj s LYS 56 N -2.61 4.14 0.00 -0.72 2.20 -1.26 -1.71 119.74 119.78 2hqj s LYS 56 Ca 0.25 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.42 2hqj s LYS 56 Cb 0.20 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.43 2hqj s LYS 56 CO 0.50 -0.71 0.00 0.43 -0.36 0.00 0.00 175.35 175.21 2hqj n SER 57 N 3.75 -3.22 -4.79 1.43 7.64 0.91 -5.03 113.62 114.31 2hqj n SER 57 Ca 0.15 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.72 2hqj n SER 57 Cb 0.36 -1.49 0.09 0.00 -1.01 0.00 0.00 64.21 62.16 2hqj n SER 57 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2hqj s SER 58 N -2.14 4.41 0.08 6.43 1.04 -0.69 -4.74 113.70 118.09 2hqj s SER 58 Ca 0.00 1.38 0.07 0.00 0.48 0.00 0.00 55.95 57.88 2hqj s SER 58 Cb 0.00 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 63.97 2hqj s SER 58 CO 0.00 -2.03 -0.13 0.54 0.98 0.00 0.00 173.24 172.60 2hqj s VAL 59 N -3.10 3.19 -0.71 5.02 0.11 -1.26 -0.41 120.40 123.25 2hqj s VAL 59 Ca 0.61 -1.24 -0.24 0.00 -2.93 0.00 0.00 61.98 58.18 2hqj s VAL 59 Cb -0.15 -2.45 0.06 0.00 -1.53 0.00 0.00 36.38 32.31 2hqj s VAL 59 CO 0.55 0.18 1.09 -0.36 -3.33 0.00 0.00 175.10 173.23 2hqj s PHE 60 N -1.12 2.55 -0.32 1.54 0.08 -0.14 -4.08 117.98 116.48 2hqj s PHE 60 Ca 0.19 -0.41 0.23 0.00 0.12 0.00 0.00 56.93 57.06 2hqj s PHE 60 Cb -0.11 -4.42 0.09 0.00 -0.57 0.00 0.00 43.02 38.01 2hqj s PHE 60 CO 0.11 -1.80 1.14 1.12 -0.10 0.00 0.00 175.22 175.68 2hqj h HIS 61 N 9.71 0.00 -3.31 0.36 2.07 -1.58 -3.42 115.15 118.99 2hqj h HIS 61 Ca -0.26 0.00 -0.42 0.00 -2.85 0.00 0.00 60.37 56.84 2hqj h HIS 61 Cb 1.06 0.00 -0.37 0.00 2.57 0.00 0.00 27.41 30.67 2hqj h HIS 61 CO 1.04 0.00 -0.77 0.50 -3.07 0.00 0.00 177.93 175.63 2hqj s ARG 62 N -3.32 0.61 -0.10 5.12 3.52 -1.19 -4.64 118.95 118.96 2hqj s ARG 62 Ca 0.01 0.07 -0.02 0.00 -0.13 0.00 0.00 55.73 55.67 2hqj s ARG 62 Cb 0.10 -0.91 0.04 0.00 -1.56 0.00 0.00 34.95 32.62 2hqj s ARG 62 CO 0.77 -0.26 0.03 0.08 -0.81 0.00 0.00 175.30 175.11 2hqj s VAL 63 N 1.73 0.28 -0.20 7.11 1.01 0.32 0.00 120.40 130.66 2hqj s VAL 63 Ca 0.01 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2hqj s VAL 63 Cb -0.13 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.70 2hqj s VAL 63 CO -0.04 0.10 -0.16 -0.63 0.00 0.00 0.00 175.10 174.38 2hqj s ILE 64 N 2.00 2.27 0.23 2.22 1.01 -0.53 -1.89 121.20 126.51 2hqj s ILE 64 Ca 0.04 -1.04 -0.31 0.00 0.00 0.00 0.00 60.65 59.34 2hqj s ILE 64 Cb -0.13 -2.05 -0.14 0.00 0.01 0.00 0.00 42.46 40.15 2hqj s ILE 64 CO -0.06 0.40 1.28 -2.65 0.00 0.00 0.00 174.94 173.91 2hqj n PRO 65 N 4.61 1.71 -2.10 2.79 -0.02 -1.26 -1.91 135.00 138.81 2hqj n PRO 65 Ca -0.19 0.61 -0.19 0.00 -2.02 0.00 0.00 63.50 61.70 2hqj n PRO 65 Cb 0.48 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 2hqj n PRO 65 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2hqj n ASN 66 N 1.90 -5.45 0.00 2.55 4.05 -1.26 -4.80 115.26 112.24 2hqj n ASN 66 Ca 0.12 0.14 0.00 0.00 0.45 0.00 0.00 54.58 55.29 2hqj n ASN 66 Cb 0.30 -4.54 0.00 0.00 1.23 0.00 0.00 39.78 36.77 2hqj n ASN 66 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 2hqj n PHE 67 N -3.51 0.00 -3.58 1.20 7.35 -0.80 -4.53 117.46 113.59 2hqj n PHE 67 Ca -0.22 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.41 2hqj n PHE 67 Cb 0.66 0.22 -0.02 0.00 0.35 0.00 0.00 39.48 40.69 2hqj n PHE 67 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2hqj s MET 68 N -0.49 0.88 -0.14 -4.13 0.23 -0.86 -0.87 119.30 113.92 2hqj s MET 68 Ca 0.00 -0.39 -0.03 0.00 -1.03 0.00 0.00 55.69 54.24 2hqj s MET 68 Cb 0.00 0.37 -0.03 0.00 -1.53 0.00 0.00 34.83 33.64 2hqj s MET 68 CO 0.00 -0.39 -0.03 0.42 -2.03 0.00 0.00 175.02 172.99 2hqj s ILE 69 N -3.11 3.99 -0.12 3.16 1.01 -0.25 -1.45 121.20 124.42 2hqj s ILE 69 Ca 0.07 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.41 2hqj s ILE 69 Cb -0.01 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 2hqj s ILE 69 CO -0.06 0.51 -0.18 -1.58 0.00 0.00 0.00 174.94 173.64 2hqj s GLN 70 N 0.10 3.23 0.00 2.79 0.74 0.10 -0.92 119.66 125.70 2hqj s GLN 70 Ca -0.00 -0.77 0.00 0.00 0.05 0.00 0.00 55.36 54.64 2hqj s GLN 70 Cb -0.13 -2.50 0.00 0.00 1.10 0.00 0.00 33.01 31.47 2hqj s GLN 70 CO 0.03 0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.35 2hqj n GLY 71 N 3.59 4.53 1.02 2.59 0.00 -0.89 -1.54 105.19 114.49 2hqj n GLY 71 Ca -0.19 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.50 2hqj n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hqj n GLY 72 N 0.00 0.75 3.40 -0.02 0.00 -1.26 -1.62 105.19 106.45 2hqj n GLY 72 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2hqj n GLY 72 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hqj n ASP 73 N 0.00 5.36 -0.03 1.61 -0.08 -1.26 -3.97 116.55 118.19 2hqj n ASP 73 Ca 0.00 -3.01 0.13 0.00 -1.51 0.00 0.00 54.79 50.40 2hqj n ASP 73 Cb 0.00 -1.49 0.49 0.00 2.34 0.00 0.00 41.12 42.46 2hqj n ASP 73 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 2hqj n PHE 74 N 4.33 0.00 -0.05 -0.67 1.16 -1.26 -1.10 117.46 119.86 2hqj n PHE 74 Ca 0.31 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.74 2hqj n PHE 74 Cb 0.41 -0.34 -0.14 0.00 -1.61 0.00 0.00 39.48 37.80 2hqj n PHE 74 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 2hqj n THR 75 N -1.37 1.61 0.00 1.97 -2.24 -1.26 -4.74 114.28 108.25 2hqj n THR 75 Ca 0.08 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2hqj n THR 75 Cb 0.32 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 2hqj n THR 75 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2hqj n ARG 76 N -3.22 4.31 -0.89 -0.78 5.12 -1.25 -4.93 116.66 115.02 2hqj n ARG 76 Ca -0.32 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.60 2hqj n ARG 76 Cb 1.05 -0.64 0.00 0.00 -1.16 0.00 0.00 32.46 31.71 2hqj n ARG 76 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hqj n GLY 77 N 1.43 0.12 0.00 -0.13 0.00 -0.26 -4.79 105.19 101.56 2hqj n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2hqj n GLY 77 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hqj n ASN 78 N -0.59 0.21 0.00 1.61 6.94 -1.26 -4.76 115.26 117.40 2hqj n ASN 78 Ca 0.00 -1.10 0.00 0.00 -0.02 0.00 0.00 54.58 53.46 2hqj n ASN 78 Cb 0.30 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.72 2hqj n ASN 78 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2hqj n GLY 79 N -0.05 0.72 0.01 4.83 0.00 -1.26 -4.93 105.19 104.51 2hqj n GLY 79 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2hqj n GLY 79 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hqj n THR 80 N -1.74 0.04 -2.79 2.61 -2.24 -1.26 -5.01 114.28 103.88 2hqj n THR 80 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 2hqj n THR 80 Cb 0.00 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 2hqj n THR 80 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hqj n GLY 81 N 1.45 6.11 0.00 3.38 0.00 -1.26 -4.99 105.19 109.88 2hqj n GLY 81 Ca 0.03 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.01 2hqj n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hqj n GLY 82 N 5.00 2.32 3.33 -0.02 0.00 -1.26 -4.75 105.19 109.80 2hqj n GLY 82 Ca 0.00 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 2hqj n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hqj s GLU 83 N -2.94 0.50 0.71 1.61 2.02 -1.26 -4.68 118.70 114.66 2hqj s GLU 83 Ca 0.00 0.61 -0.04 0.00 0.02 0.00 0.00 54.97 55.55 2hqj s GLU 83 Cb 0.00 0.24 0.09 0.00 0.10 0.00 0.00 34.13 34.56 2hqj s GLU 83 CO 0.00 -0.06 1.00 -1.54 0.02 0.00 0.00 175.26 174.67 2hqj s SER 84 N 0.26 4.57 0.01 -0.19 1.04 -0.66 -4.09 113.70 114.64 2hqj s SER 84 Ca -0.00 0.10 0.21 0.00 0.48 0.00 0.00 55.95 56.74 2hqj s SER 84 Cb -0.03 -0.65 0.88 0.00 0.10 0.00 0.00 66.02 66.31 2hqj s SER 84 CO 0.00 -1.71 1.66 2.30 0.98 0.00 0.00 173.24 176.47 2hqj n ILE 85 N -2.88 0.59 0.65 -1.02 -5.35 -1.26 -2.58 119.36 107.51 2hqj n ILE 85 Ca 0.11 0.14 0.12 0.00 -0.27 0.00 0.00 62.75 62.85 2hqj n ILE 85 Cb 0.60 -0.80 0.21 0.00 -1.74 0.00 0.00 39.64 37.92 2hqj n ILE 85 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2hqj n TYR 86 N -1.52 0.31 0.00 4.28 4.01 -1.26 -5.05 117.16 117.93 2hqj n TYR 86 Ca 0.05 -0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2hqj n TYR 86 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 2hqj n TYR 86 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hqj n GLY 87 N 1.41 0.29 0.05 2.72 0.00 -1.07 -4.89 105.19 103.71 2hqj n GLY 87 Ca 0.18 -2.31 -0.01 0.00 0.00 0.00 0.00 46.02 43.88 2hqj n GLY 87 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hqj n THR 88 N -0.87 -0.09 -4.11 2.61 -2.24 -1.26 -1.65 114.28 106.67 2hqj n THR 88 Ca 0.00 0.97 -0.09 0.00 -2.27 0.00 0.00 64.05 62.66 2hqj n THR 88 Cb 0.00 -1.26 -0.10 0.00 -2.10 0.00 0.00 70.33 66.87 2hqj n THR 88 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2hqj s THR 89 N -3.51 0.41 0.05 4.28 -4.23 -1.26 -3.12 115.64 108.25 2hqj s THR 89 Ca -0.02 -1.74 -0.00 0.00 -1.18 0.00 0.00 61.69 58.76 2hqj s THR 89 Cb 0.01 -1.42 -0.03 0.00 1.34 0.00 0.00 72.50 72.40 2hqj s THR 89 CO 0.08 -0.87 -0.04 0.72 -0.54 0.00 0.00 174.62 173.96 2hqj s PHE 90 N -3.45 0.51 0.78 3.99 -0.71 0.17 -4.91 117.98 114.36 2hqj s PHE 90 Ca 0.06 -0.84 -0.13 0.00 -1.04 0.00 0.00 56.93 54.98 2hqj s PHE 90 Cb 0.04 -0.35 0.07 0.00 -1.21 0.00 0.00 43.02 41.57 2hqj s PHE 90 CO -0.07 -0.26 1.17 1.03 -1.34 0.00 0.00 175.22 175.75 2hqj s ARG 91 N -2.96 1.91 -0.09 1.99 0.52 -1.26 -1.29 118.95 117.76 2hqj s ARG 91 Ca -0.01 1.61 -0.29 0.00 -0.52 0.00 0.00 55.73 56.52 2hqj s ARG 91 Cb 0.01 -1.82 -0.06 0.00 0.52 0.00 0.00 34.95 33.60 2hqj s ARG 91 CO -0.06 -1.98 1.81 -0.51 0.02 0.00 0.00 175.30 174.59 2hqj s ASP 92 N -2.40 6.36 0.19 0.23 1.01 -1.26 -4.81 116.67 116.01 2hqj s ASP 92 Ca 0.70 2.15 -0.05 0.00 0.71 0.00 0.00 52.55 56.06 2hqj s ASP 92 Cb -0.25 -2.53 0.13 0.00 1.01 0.00 0.00 42.92 41.27 2hqj s ASP 92 CO 0.49 -1.19 1.57 -0.08 0.21 0.00 0.00 175.17 176.17 2hqj h GLU 93 N 10.91 0.74 0.00 8.23 4.81 -2.01 -3.47 114.58 133.79 2hqj h GLU 93 Ca -0.41 -0.36 0.00 0.00 -0.13 0.00 0.00 59.36 58.46 2hqj h GLU 93 Cb 1.20 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2hqj h GLU 93 CO 0.96 0.98 0.00 0.45 -0.73 0.00 0.00 179.01 180.67 2hqj n SER 94 N -4.06 0.00 -0.39 1.04 2.88 -1.26 -5.02 113.62 106.81 2hqj n SER 94 Ca -0.01 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.60 2hqj n SER 94 Cb 0.50 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.11 2hqj n SER 94 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2hqj n PHE 95 N -0.00 0.00 -2.96 0.66 3.72 -1.26 -4.76 117.46 112.85 2hqj n PHE 95 Ca 0.00 -1.09 -0.37 0.00 -0.05 0.00 0.00 57.45 55.94 2hqj n PHE 95 Cb 0.00 -0.18 -0.06 0.00 -0.94 0.00 0.00 39.48 38.30 2hqj n PHE 95 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2hqj s SER 96 N -2.84 7.19 1.96 4.37 0.01 -1.26 -3.51 113.70 119.61 2hqj s SER 96 Ca 0.32 1.60 0.00 0.00 1.31 0.00 0.00 55.95 59.18 2hqj s SER 96 Cb 0.30 -2.49 0.00 0.00 0.21 0.00 0.00 66.02 64.04 2hqj s SER 96 CO -0.02 -0.00 0.00 0.61 0.41 0.00 0.00 173.24 174.24 2hqj n GLY 97 N 0.69 3.62 0.28 3.44 0.00 -1.26 -1.83 105.19 110.12 2hqj n GLY 97 Ca -0.01 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.06 2hqj n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hqj h LYS 98 N 0.00 0.00 0.00 1.61 1.57 -1.92 -1.92 116.57 115.91 2hqj h LYS 98 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hqj h LYS 98 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2hqj h LYS 98 CO 0.00 0.05 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 2hqj n ALA 99 N -2.35 1.68 0.48 3.86 0.00 -0.76 -3.39 120.51 120.02 2hqj n ALA 99 Ca -0.03 0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.56 2hqj n ALA 99 Cb 0.14 -1.40 0.06 0.00 0.00 0.00 0.00 19.45 18.25 2hqj n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hqj n GLY 100 N 0.03 0.05 2.74 0.00 0.00 -0.72 -2.20 105.19 105.09 2hqj n GLY 100 Ca 0.02 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 2hqj n GLY 100 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hqj s ARG 101 N -1.06 0.66 0.20 1.61 3.52 -1.22 -4.20 118.95 118.47 2hqj s ARG 101 Ca 0.16 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 55.03 2hqj s ARG 101 Cb 0.11 -2.12 -0.08 0.00 -1.56 0.00 0.00 34.95 31.29 2hqj s ARG 101 CO 0.16 -0.64 1.23 -1.01 -0.81 0.00 0.00 175.30 174.23 2hqj s HIS 102 N 1.86 3.37 -0.60 5.12 3.76 -1.26 -4.95 115.29 122.58 2hqj s HIS 102 Ca -0.01 1.38 0.11 0.00 -0.15 0.00 0.00 55.06 56.39 2hqj s HIS 102 Cb -0.17 -3.48 0.33 0.00 1.11 0.00 0.00 32.58 30.36 2hqj s HIS 102 CO -0.08 -1.40 1.26 0.25 -0.85 0.00 0.00 174.74 173.93 2hqj n THR 103 N 2.39 1.36 -2.67 1.30 -2.24 -1.26 -4.81 114.28 108.35 2hqj n THR 103 Ca 0.04 -1.27 0.00 0.00 -2.27 0.00 0.00 64.05 60.55 2hqj n THR 103 Cb 0.44 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.95 2hqj n THR 103 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hqj n GLY 104 N 0.06 -0.42 3.67 3.38 0.00 -1.26 -4.81 105.19 105.81 2hqj n GLY 104 Ca 0.13 -1.37 -0.58 0.00 0.00 0.00 0.00 46.02 44.20 2hqj n GLY 104 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2hqj n LEU 105 N 0.00 1.85 0.00 0.99 7.94 -1.25 -1.41 117.00 125.12 2hqj n LEU 105 Ca 0.00 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 2hqj n LEU 105 Cb 0.00 -1.09 0.00 0.00 0.53 0.00 0.00 43.42 42.86 2hqj n LEU 105 CO 0.00 -0.75 0.00 0.61 -1.11 0.00 0.00 177.39 176.14 2hqj n GLY 106 N 3.58 0.93 3.73 -3.96 0.00 0.18 -4.90 105.19 104.74 2hqj n GLY 106 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 2hqj n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hqj s LEU 108 N 0.10 3.67 0.06 0.00 1.02 -0.36 0.11 118.68 123.28 2hqj s LEU 108 Ca 0.56 -0.12 0.03 0.00 0.02 0.00 0.00 54.13 54.62 2hqj s LEU 108 Cb -0.34 -2.00 -0.03 0.00 0.02 0.00 0.00 46.19 43.84 2hqj s LEU 108 CO 0.36 -0.04 -0.08 -0.94 0.02 0.00 0.00 176.35 175.67 2hqj s SER 109 N 1.64 1.06 0.01 2.29 1.04 -0.83 -1.66 113.70 117.26 2hqj s SER 109 Ca 0.07 -0.68 -0.30 0.00 0.48 0.00 0.00 55.95 55.51 2hqj s SER 109 Cb -0.15 0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.96 2hqj s SER 109 CO 0.06 -0.25 1.15 -0.04 0.98 0.00 0.00 173.24 175.14 2hqj s MET 110 N -2.21 4.43 0.69 4.02 -1.94 -0.05 -0.45 119.30 123.79 2hqj s MET 110 Ca -0.03 1.66 -0.11 0.00 -1.71 0.00 0.00 55.69 55.50 2hqj s MET 110 Cb -0.06 -3.44 0.00 0.00 2.01 0.00 0.00 34.83 33.34 2hqj s MET 110 CO -0.01 -0.28 1.06 0.00 -0.01 0.00 0.00 175.02 175.78 2hqj s ALA 111 N 1.44 2.76 0.35 3.03 0.00 -0.81 -4.14 121.76 124.39 2hqj s ALA 111 Ca 0.56 -0.00 -0.11 0.00 0.00 0.00 0.00 51.96 52.41 2hqj s ALA 111 Cb -0.26 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 19.75 2hqj s ALA 111 CO 0.26 -1.13 0.63 0.54 0.00 0.00 0.00 175.76 176.06 2hqj s ASN 112 N -3.92 0.33 -0.32 0.00 2.20 -1.26 -4.47 114.94 107.49 2hqj s ASN 112 Ca 0.57 -1.21 0.07 0.00 -0.94 0.00 0.00 52.86 51.36 2hqj s ASN 112 Cb -0.13 0.74 0.48 0.00 -2.00 0.00 0.00 41.25 40.34 2hqj s ASN 112 CO 0.55 -1.45 1.44 0.00 -2.94 0.00 0.00 177.10 174.69 2hqj n ALA 113 N -0.52 4.66 0.00 3.54 0.00 -1.24 -5.04 120.51 121.90 2hqj n ALA 113 Ca -0.04 -3.36 0.00 0.00 0.00 0.00 0.00 53.44 50.04 2hqj n ALA 113 Cb 0.61 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.35 2hqj n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hqj n GLY 114 N -1.01 1.19 3.67 0.00 0.00 -1.26 -4.95 105.19 102.83 2hqj n GLY 114 Ca 0.38 -2.29 -0.44 0.00 0.00 0.00 0.00 46.02 43.66 2hqj n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hqj n PRO 115 N -1.01 1.98 -3.46 1.61 -0.04 -1.26 -3.08 135.00 129.74 2hqj n PRO 115 Ca 0.00 0.70 -0.21 0.00 -0.04 0.00 0.00 63.50 63.95 2hqj n PRO 115 Cb 0.00 -2.29 0.07 0.00 -0.04 0.00 0.00 33.50 31.24 2hqj n PRO 115 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2hqj n ASN 116 N 1.50 -5.61 -2.63 3.54 3.02 -1.26 -4.93 115.26 108.89 2hqj n ASN 116 Ca 0.09 -0.48 -0.12 0.00 -0.03 0.00 0.00 54.58 54.03 2hqj n ASN 116 Cb 0.33 -4.53 0.03 0.00 -0.61 0.00 0.00 39.78 34.99 2hqj n ASN 116 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2hqj n THR 117 N -4.66 1.31 -2.40 3.41 -2.24 -1.18 -4.16 114.28 104.36 2hqj n THR 117 Ca -0.01 -3.43 -0.40 0.00 -2.27 0.00 0.00 64.05 57.94 2hqj n THR 117 Cb 0.56 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 69.06 2hqj n THR 117 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2hqj s ASN 118 N -3.26 7.16 0.00 3.42 0.01 -0.41 -3.66 114.94 118.19 2hqj s ASN 118 Ca 0.32 2.36 0.00 0.00 -0.71 0.00 0.00 52.86 54.82 2hqj s ASN 118 Cb 0.44 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.47 2hqj s ASN 118 CO -0.01 -0.23 0.00 0.61 -1.51 0.00 0.00 177.10 175.96 2hqj n GLY 119 N 1.10 2.54 0.00 0.66 0.00 -1.26 0.44 105.19 108.67 2hqj n GLY 119 Ca -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.79 2hqj n GLY 119 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hqj n SER 120 N 0.00 0.82 -4.79 1.61 3.41 -1.26 -3.86 113.62 109.55 2hqj n SER 120 Ca 0.00 -0.46 -0.36 0.00 -0.26 0.00 0.00 58.87 57.78 2hqj n SER 120 Cb 0.00 1.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.90 2hqj n SER 120 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2hqj s GLN 121 N -1.37 4.49 0.14 4.33 -0.21 -1.25 -4.50 119.66 121.29 2hqj s GLN 121 Ca 0.01 1.32 -0.04 0.00 0.02 0.00 0.00 55.36 56.67 2hqj s GLN 121 Cb 0.02 -2.68 -0.03 0.00 1.00 0.00 0.00 33.01 31.32 2hqj s GLN 121 CO 0.09 0.19 0.13 -0.59 -2.12 0.00 0.00 175.29 172.99 2hqj s PHE 122 N -1.71 0.71 -0.08 0.91 -0.71 -0.64 -1.92 117.98 114.55 2hqj s PHE 122 Ca 0.53 -1.08 0.02 0.00 -1.04 0.00 0.00 56.93 55.35 2hqj s PHE 122 Cb -0.17 -0.34 -0.02 0.00 -1.21 0.00 0.00 43.02 41.27 2hqj s PHE 122 CO 0.22 -0.58 -0.13 -0.06 -1.34 0.00 0.00 175.22 173.33 2hqj s PHE 123 N -4.02 2.77 -0.43 3.49 0.40 0.41 -2.10 117.98 118.50 2hqj s PHE 123 Ca 0.22 -0.32 -0.18 0.00 -0.60 0.00 0.00 56.93 56.04 2hqj s PHE 123 Cb 0.06 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.89 2hqj s PHE 123 CO 0.01 0.05 0.48 0.42 0.70 0.00 0.00 175.22 176.88 2hqj s ILE 124 N -0.31 5.03 0.45 0.64 1.01 -0.10 -1.95 121.20 125.97 2hqj s ILE 124 Ca 0.03 -0.27 -0.23 0.00 0.00 0.00 0.00 60.65 60.18 2hqj s ILE 124 Cb -0.13 -4.08 -0.08 0.00 0.01 0.00 0.00 42.46 38.18 2hqj s ILE 124 CO 0.03 -0.47 1.12 0.00 0.00 0.00 0.00 174.94 175.61 2hqj n THR 126 N -0.48 0.35 -3.83 0.00 -2.24 -0.05 0.47 114.28 108.50 2hqj n THR 126 Ca 0.07 -0.67 -0.07 0.00 -2.27 0.00 0.00 64.05 61.11 2hqj n THR 126 Cb 0.49 0.87 0.02 0.00 -2.10 0.00 0.00 70.33 69.60 2hqj n THR 126 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hqj s ALA 127 N -0.51 -1.10 0.29 6.98 0.00 -1.24 -4.35 121.76 121.82 2hqj s ALA 127 Ca 0.05 -0.52 -0.30 0.00 0.00 0.00 0.00 51.96 51.19 2hqj s ALA 127 Cb 0.03 0.71 -0.11 0.00 0.00 0.00 0.00 23.12 23.76 2hqj s ALA 127 CO 0.04 -1.02 1.49 0.00 0.00 0.00 0.00 175.76 176.27 2hqj s ALA 128 N -2.51 3.65 -0.38 0.00 0.00 -1.26 -3.91 121.76 117.35 2hqj s ALA 128 Ca 0.17 1.44 0.11 0.00 0.00 0.00 0.00 51.96 53.68 2hqj s ALA 128 Cb -0.04 -3.59 0.34 0.00 0.00 0.00 0.00 23.12 19.83 2hqj s ALA 128 CO 0.09 -0.86 0.71 0.25 0.00 0.00 0.00 175.76 175.95 2hqj n THR 129 N 1.89 -0.15 0.28 0.00 -2.24 -1.26 -4.96 114.28 107.85 2hqj n THR 129 Ca 0.06 -4.55 0.16 0.00 -2.27 0.00 0.00 64.05 57.45 2hqj n THR 129 Cb 0.39 -0.48 0.84 0.00 -2.10 0.00 0.00 70.33 68.98 2hqj n THR 129 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2hqj h PRO 130 N 3.11 0.00 0.00 -0.78 0.13 -1.93 -1.80 132.00 130.74 2hqj h PRO 130 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2hqj h PRO 130 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2hqj h PRO 130 CO 0.50 0.07 0.00 0.11 -0.23 0.00 0.00 178.00 178.45 2hqj h TRP 131 N 0.00 0.00 0.00 1.56 0.09 -2.01 -1.99 115.95 113.61 2hqj h TRP 131 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2hqj h TRP 131 Cb 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.50 2hqj h TRP 131 CO 0.00 0.00 -0.55 1.28 0.09 0.00 0.00 178.44 179.26 2hqj n LEU 132 N -2.50 0.64 -4.68 0.11 4.77 -0.67 -4.82 117.00 109.84 2hqj n LEU 132 Ca 0.00 0.21 -0.51 0.00 -0.03 0.00 0.00 56.01 55.69 2hqj n LEU 132 Cb 0.16 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 2hqj n LEU 132 CO 0.18 -0.02 1.34 0.47 -1.33 0.00 0.00 177.39 178.03 2hqj n ASP 133 N -1.98 2.94 0.00 -1.43 9.92 -0.75 -0.59 116.55 124.67 2hqj n ASP 133 Ca 0.04 1.03 0.00 0.00 -0.53 0.00 0.00 54.79 55.33 2hqj n ASP 133 Cb 0.42 -1.30 0.00 0.00 -0.64 0.00 0.00 41.12 39.59 2hqj n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2hqj n GLY 134 N 4.01 0.48 0.82 0.44 0.00 -1.26 -4.82 105.19 104.86 2hqj n GLY 134 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.22 2hqj n GLY 134 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hqj n LYS 135 N -2.41 0.05 -3.51 1.61 5.02 0.25 -5.00 118.16 114.16 2hqj n LYS 135 Ca 0.00 0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 55.94 2hqj n LYS 135 Cb 0.06 -0.63 -0.08 0.00 -0.02 0.00 0.00 35.03 34.36 2hqj n LYS 135 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2hqj s HIS 136 N -2.04 3.38 -0.05 2.13 3.76 -0.55 -4.95 115.29 116.98 2hqj s HIS 136 Ca -0.03 0.50 -0.30 0.00 -0.15 0.00 0.00 55.06 55.08 2hqj s HIS 136 Cb 0.01 -2.40 -0.05 0.00 1.11 0.00 0.00 32.58 31.25 2hqj s HIS 136 CO 0.04 0.08 1.53 0.08 -0.85 0.00 0.00 174.74 175.62 2hqj s VAL 137 N 0.99 3.68 -0.09 -0.90 1.01 -1.26 -4.77 120.40 119.06 2hqj s VAL 137 Ca 0.15 0.92 -0.25 0.00 0.00 0.00 0.00 61.98 62.80 2hqj s VAL 137 Cb -0.14 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 2hqj s VAL 137 CO 0.06 -0.05 0.77 -0.69 0.00 0.00 0.00 175.10 175.18 2hqj s VAL 138 N 3.41 4.98 0.00 2.92 1.01 -0.93 -0.87 120.40 130.91 2hqj s VAL 138 Ca 0.68 1.57 0.00 0.00 0.00 0.00 0.00 61.98 64.23 2hqj s VAL 138 Cb -0.32 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 31.96 2hqj s VAL 138 CO 0.27 0.17 0.51 2.22 0.00 0.00 0.00 175.10 178.27 2hqj n PHE 139 N 4.26 0.00 -1.15 5.22 -1.74 -0.66 -4.01 117.46 119.38 2hqj n PHE 139 Ca 0.01 -0.10 0.00 0.00 -0.56 0.00 0.00 57.45 56.81 2hqj n PHE 139 Cb 0.50 -0.01 0.00 0.00 1.52 0.00 0.00 39.48 41.50 2hqj n PHE 139 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2hqj n GLY 140 N -0.10 -1.45 3.25 4.97 0.00 -1.21 -0.56 105.19 110.10 2hqj n GLY 140 Ca 0.00 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.90 2hqj n GLY 140 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hqj s ARG 141 N -1.46 0.92 -0.10 1.61 1.70 -0.73 -1.23 118.95 119.67 2hqj s ARG 141 Ca 0.00 -0.85 -0.30 0.00 -0.47 0.00 0.00 55.73 54.12 2hqj s ARG 141 Cb 0.00 0.39 -0.03 0.00 -0.57 0.00 0.00 34.95 34.74 2hqj s ARG 141 CO 0.00 -0.32 1.27 0.08 -1.08 0.00 0.00 175.30 175.25 2hqj s VAL 142 N -3.77 4.17 -0.68 4.99 1.01 0.11 -0.96 120.40 125.27 2hqj s VAL 142 Ca 0.04 1.47 0.12 0.00 0.00 0.00 0.00 61.98 63.60 2hqj s VAL 142 Cb 0.03 -3.95 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 2hqj s VAL 142 CO -0.11 -0.06 0.54 2.30 0.00 0.00 0.00 175.10 177.77 2hqj n ILE 143 N 4.98 0.00 -3.67 2.22 -5.35 0.37 -4.92 119.36 112.99 2hqj n ILE 143 Ca 0.13 -0.26 -0.15 0.00 -0.27 0.00 0.00 62.75 62.20 2hqj n ILE 143 Cb 0.45 1.03 -0.08 0.00 -1.74 0.00 0.00 39.64 39.30 2hqj n ILE 143 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2hqj s ASP 144 N -1.97 -0.42 0.00 7.28 -1.08 -1.08 -4.97 116.67 114.43 2hqj s ASP 144 Ca 0.06 0.53 0.00 0.00 -0.52 0.00 0.00 52.55 52.61 2hqj s ASP 144 Cb 0.09 0.57 0.00 0.00 -1.46 0.00 0.00 42.92 42.12 2hqj s ASP 144 CO 0.44 -0.42 0.00 0.61 0.52 0.00 0.00 175.17 176.32 2hqj n GLY 145 N 1.59 0.73 0.30 2.66 0.00 -1.26 -1.17 105.19 108.04 2hqj n GLY 145 Ca -0.19 -0.69 0.10 0.00 0.00 0.00 0.00 46.02 45.24 2hqj n GLY 145 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2hqj h LEU 146 N 0.00 0.09 -1.37 0.99 3.38 -1.93 -0.52 115.31 115.96 2hqj h LEU 146 Ca 0.00 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.08 2hqj h LEU 146 Cb 0.47 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.14 2hqj h LEU 146 CO 0.00 0.07 0.53 -2.24 0.09 0.00 0.00 178.44 176.88 2hqj h ASP 147 N 0.11 0.61 0.13 -0.43 2.03 -1.95 -0.38 116.42 116.55 2hqj h ASP 147 Ca 0.09 0.02 -0.27 0.00 -0.73 0.00 0.00 57.03 56.14 2hqj h ASP 147 Cb 0.21 -0.10 0.02 0.00 -0.83 0.00 0.00 39.33 38.62 2hqj h ASP 147 CO -0.01 0.34 -1.09 0.58 -1.03 0.00 0.00 179.24 178.04 2hqj h VAL 148 N 0.67 1.31 -0.52 4.15 2.07 -1.43 -1.66 116.25 120.85 2hqj h VAL 148 Ca 0.39 -2.38 0.07 0.00 0.82 0.00 0.00 66.70 65.59 2hqj h VAL 148 Cb 0.58 2.49 -0.06 0.00 -1.52 0.00 0.00 31.29 32.78 2hqj h VAL 148 CO -0.15 0.73 0.21 0.58 0.02 0.00 0.00 177.57 178.95 2hqj h VAL 149 N 0.32 0.86 -0.46 2.57 2.07 -1.14 -1.72 116.25 118.74 2hqj h VAL 149 Ca -0.14 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 2hqj h VAL 149 Cb 1.74 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2hqj h VAL 149 CO 0.21 0.07 0.03 0.11 0.02 0.00 0.00 177.57 178.01 2hqj h LYS 150 N 0.41 0.74 -0.22 1.57 1.79 -0.99 -1.16 116.57 118.69 2hqj h LYS 150 Ca 0.25 -0.18 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 2hqj h LYS 150 Cb 0.24 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.78 2hqj h LYS 150 CO -0.23 0.73 0.13 -0.22 -1.08 0.00 0.00 179.45 178.78 2hqj h LYS 151 N 0.70 0.26 -0.51 3.15 3.64 -0.81 -2.26 116.57 120.73 2hqj h LYS 151 Ca 0.14 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2hqj h LYS 151 Cb 0.39 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2hqj h LYS 151 CO 0.01 0.17 0.13 0.28 -2.27 0.00 0.00 179.45 177.77 2hqj h VAL 152 N 0.27 1.24 -0.64 2.00 2.07 -1.16 -3.18 116.25 116.85 2hqj h VAL 152 Ca 0.08 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 66.80 2hqj h VAL 152 Cb -0.01 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.53 2hqj h VAL 152 CO -0.04 0.31 0.36 -0.08 0.02 0.00 0.00 177.57 178.14 2hqj h GLU 153 N 0.71 0.67 0.00 1.57 4.81 -1.05 -1.59 114.58 119.70 2hqj h GLU 153 Ca 0.16 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2hqj h GLU 153 Cb 0.33 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2hqj h GLU 153 CO 0.00 0.44 0.00 0.00 -0.73 0.00 0.00 179.01 178.73 2hqj h ARG 154 N 0.69 0.00 -0.01 1.92 -0.00 -1.39 -1.70 114.38 113.89 2hqj h ARG 154 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.75 2hqj h ARG 154 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.09 2hqj h ARG 154 CO -0.15 0.00 -0.13 1.28 0.00 0.00 0.00 179.97 180.97 2hqj n LEU 155 N -2.87 1.22 0.00 3.04 4.77 -0.60 -4.90 117.00 117.66 2hqj n LEU 155 Ca -0.02 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.60 2hqj n LEU 155 Cb 0.10 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2hqj n LEU 155 CO 0.19 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2hqj n GLY 156 N 1.26 -1.38 3.68 -0.72 0.00 -0.64 -4.24 105.19 103.15 2hqj n GLY 156 Ca 0.16 -1.63 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 2hqj n GLY 156 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2hqj s SER 157 N -1.10 -0.22 0.21 1.61 1.04 -0.79 -4.84 113.70 109.61 2hqj s SER 157 Ca 0.00 -0.65 -0.09 0.00 0.48 0.00 0.00 55.95 55.69 2hqj s SER 157 Cb 0.00 0.65 0.30 0.00 0.10 0.00 0.00 66.02 67.07 2hqj s SER 157 CO 0.00 -1.20 1.73 0.28 0.98 0.00 0.00 173.24 175.03 2hqj h SER 158 N 2.12 0.16 0.98 7.02 0.02 -1.91 -0.36 113.55 121.59 2hqj h SER 158 Ca -0.24 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2hqj h SER 158 Cb 1.25 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.89 2hqj h SER 158 CO 0.31 0.09 0.00 0.77 -1.14 0.00 0.00 176.83 176.86 2hqj h SER 159 N 0.36 0.00 0.00 3.07 4.64 -1.97 -3.47 113.55 116.18 2hqj h SER 159 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2hqj h SER 159 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2hqj h SER 159 CO -0.35 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.22 2hqj n GLY 160 N 0.05 0.47 3.77 -0.77 0.00 -0.15 -4.96 105.19 103.59 2hqj n GLY 160 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 2hqj n GLY 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hqj s LYS 161 N -0.95 4.33 0.02 1.61 1.02 -1.26 -0.52 119.74 123.98 2hqj s LYS 161 Ca 0.00 2.07 0.02 0.00 0.02 0.00 0.00 55.97 58.08 2hqj s LYS 161 Cb 0.00 -3.00 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 2hqj s LYS 161 CO 0.00 -0.16 0.02 0.95 -0.92 0.00 0.00 175.35 175.24 2hqj s THR 162 N -1.20 4.26 -2.00 2.17 -4.23 -1.26 -3.47 115.64 109.91 2hqj s THR 162 Ca 0.50 -0.64 0.22 0.00 -1.18 0.00 0.00 61.69 60.59 2hqj s THR 162 Cb -0.37 -2.94 0.58 0.00 1.34 0.00 0.00 72.50 71.11 2hqj s THR 162 CO 0.48 0.32 1.49 0.54 -0.54 0.00 0.00 174.62 176.90 2hqj n ARG 163 N 1.17 2.68 -4.16 3.99 5.12 -1.26 -4.88 116.66 119.32 2hqj n ARG 163 Ca -0.13 -2.54 -0.10 0.00 -1.93 0.00 0.00 57.85 53.14 2hqj n ARG 163 Cb 0.52 -1.54 -0.10 0.00 -1.16 0.00 0.00 32.46 30.19 2hqj n ARG 163 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2hqj s SER 164 N -1.10 1.09 -0.15 0.55 1.04 -1.26 -5.11 113.70 108.76 2hqj s SER 164 Ca 0.45 -1.00 -0.27 0.00 0.48 0.00 0.00 55.95 55.61 2hqj s SER 164 Cb 0.24 0.10 -0.01 0.00 0.10 0.00 0.00 66.02 66.45 2hqj s SER 164 CO 0.32 -0.47 0.92 -0.13 0.98 0.00 0.00 173.24 174.85 2hqj s ARG 165 N -3.81 4.34 -0.35 4.02 0.52 -1.26 -4.92 118.95 117.50 2hqj s ARG 165 Ca 0.11 1.18 -0.05 0.00 -0.52 0.00 0.00 55.73 56.46 2hqj s ARG 165 Cb 0.05 -3.57 0.05 0.00 0.52 0.00 0.00 34.95 32.01 2hqj s ARG 165 CO -0.05 -0.36 0.11 0.42 0.02 0.00 0.00 175.30 175.44 2hqj s ILE 166 N 2.23 3.58 -0.05 1.52 1.01 -1.26 -2.46 121.20 125.76 2hqj s ILE 166 Ca 0.42 -1.32 0.05 0.00 0.00 0.00 0.00 60.65 59.79 2hqj s ILE 166 Cb -0.17 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 2hqj s ILE 166 CO 0.13 -0.25 -0.18 -0.69 0.00 0.00 0.00 174.94 173.95 2hqj s VAL 167 N 1.34 2.74 -1.07 2.92 1.01 -0.03 -0.96 120.40 126.35 2hqj s VAL 167 Ca -0.01 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 2hqj s VAL 167 Cb -0.20 -2.05 0.02 0.00 0.00 0.00 0.00 36.38 34.15 2hqj s VAL 167 CO 0.01 0.58 1.68 -0.69 0.00 0.00 0.00 175.10 176.68 2hqj s VAL 168 N -0.59 3.81 0.07 2.92 1.01 0.46 -0.69 120.40 127.39 2hqj s VAL 168 Ca 0.09 -0.92 0.22 0.00 0.00 0.00 0.00 61.98 61.37 2hqj s VAL 168 Cb -0.11 -4.79 0.21 0.00 0.00 0.00 0.00 36.38 31.69 2hqj s VAL 168 CO 0.01 -1.63 1.76 0.77 0.00 0.00 0.00 175.10 176.01 2hqj h SER 169 N 9.69 0.00 -5.08 3.32 4.64 -1.35 0.26 113.55 125.04 2hqj h SER 169 Ca 0.23 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.48 2hqj h SER 169 Cb 0.97 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.92 2hqj h SER 169 CO 1.36 0.27 -0.15 -0.62 -0.87 0.00 0.00 176.83 176.82 2hqj s ASP 170 N -6.25 -0.16 0.24 4.97 -1.08 -1.12 -4.62 116.67 108.65 2hqj s ASP 170 Ca 0.01 -0.32 -0.19 0.00 -0.52 0.00 0.00 52.55 51.53 2hqj s ASP 170 Cb 0.10 0.43 0.02 0.00 -1.46 0.00 0.00 42.92 42.01 2hqj s ASP 170 CO 0.66 -0.77 0.62 0.00 0.52 0.00 0.00 175.17 176.19 2hqj n GLY 172 N -0.41 -1.55 3.88 0.00 0.00 -1.01 -4.82 105.19 101.28 2hqj n GLY 172 Ca -0.07 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 2hqj n GLY 172 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hqj s GLU 173 N -1.56 3.43 -0.74 1.61 2.12 -1.26 -1.04 118.70 121.25 2hqj s GLU 173 Ca 0.00 -0.14 -0.23 0.00 0.36 0.00 0.00 54.97 54.97 2hqj s GLU 173 Cb 0.00 -3.18 0.07 0.00 0.26 0.00 0.00 34.13 31.28 2hqj s GLU 173 CO 0.00 0.78 1.08 0.08 -0.54 0.00 0.00 175.26 176.65 2hqj s VAL 174 N -1.03 4.25 0.65 3.70 1.01 -0.35 -4.94 120.40 123.69 2hqj s VAL 174 Ca 0.15 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.51 2hqj s VAL 174 Cb -0.12 -4.77 -0.02 0.00 0.00 0.00 0.00 36.38 31.47 2hqj s VAL 174 CO 0.04 -1.57 1.10 0.00 0.00 0.00 0.00 175.10 174.68 2hqj n ALA 175 N 7.90 0.51 0.41 5.51 0.00 -1.26 -4.38 120.51 129.20 2hqj n ALA 175 Ca 0.04 -0.03 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 2hqj n ALA 175 Cb 0.47 -2.20 -0.10 0.00 0.00 0.00 0.00 19.45 17.62 2hqj n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hqj h ALA 176 N 0.35 -1.26 -2.70 0.00 0.00 -1.97 -3.42 119.26 110.25 2hqj h ALA 176 Ca -0.49 -0.24 -0.57 0.00 0.00 0.00 0.00 54.91 53.61 2hqj h ALA 176 Cb 1.35 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 19.71 2hqj h ALA 176 CO 0.51 -1.23 0.06 -0.51 0.00 0.00 0.00 179.25 178.09 2hqj s ASP 177 N -4.16 6.89 0.05 0.00 1.01 -1.26 -5.06 116.67 114.15 2hqj s ASP 177 Ca -0.19 1.08 -0.02 0.00 0.71 0.00 0.00 52.55 54.12 2hqj s ASP 177 Cb 0.03 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.53 2hqj s ASP 177 CO 0.60 -0.13 0.24 -0.54 0.21 0.00 0.00 175.17 175.55 2hqj s LYS 178 N 0.97 3.49 0.00 8.23 -0.14 -1.26 -5.20 119.74 125.83 2hqj s LYS 178 Ca 0.34 -0.30 0.00 0.00 -1.36 0.00 0.00 55.97 54.65 2hqj s LYS 178 Cb -0.17 -3.02 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 2hqj s LYS 178 CO 0.15 0.60 0.00 -1.13 -0.76 0.00 0.00 175.35 174.22