#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkx h SER 12 N 0.00 -1.00 -4.44 4.04 4.64 -1.96 -3.49 113.55 111.34 3hkx h SER 12 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3hkx h SER 12 Cb 0.00 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3hkx h SER 12 CO 0.00 -0.57 0.00 0.61 -0.87 0.00 0.00 176.83 176.00 3hkx n GLY 13 N -1.50 -2.73 3.66 -0.77 0.00 -1.26 -4.90 105.19 97.68 3hkx n GLY 13 Ca -0.12 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 43.75 3hkx n GLY 13 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hkx n LEU 14 N 0.00 3.99 -4.65 0.99 4.77 -1.26 -4.90 117.00 115.94 3hkx n LEU 14 Ca 0.00 0.92 -0.48 0.00 -0.03 0.00 0.00 56.01 56.42 3hkx n LEU 14 Cb 0.00 -1.44 -0.05 0.00 -2.33 0.00 0.00 43.42 39.60 3hkx n LEU 14 CO 0.00 -1.34 1.12 0.52 -1.33 0.00 0.00 177.39 176.36 3hkx n VAL 15 N -1.16 0.02 -3.17 4.08 0.31 -1.26 -4.92 118.33 112.23 3hkx n VAL 15 Ca 0.11 -0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.12 3hkx n VAL 15 Cb 0.44 -1.34 -0.06 0.00 -0.91 0.00 0.00 33.84 31.97 3hkx n VAL 15 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 3hkx s ILE 16 N 0.92 4.71 0.22 2.52 -5.25 -1.26 -5.00 121.20 118.07 3hkx s ILE 16 Ca 0.81 0.88 -0.32 0.00 -0.99 0.00 0.00 60.65 61.03 3hkx s ILE 16 Cb -0.76 -3.61 -0.12 0.00 2.95 0.00 0.00 42.46 40.92 3hkx s ILE 16 CO 0.41 -0.18 1.69 -0.13 -1.79 0.00 0.00 174.94 174.94 3hkx s ARG 17 N -2.98 4.13 0.00 0.37 0.52 -1.26 -2.18 118.95 117.55 3hkx s ARG 17 Ca 0.53 2.59 0.00 0.00 -0.52 0.00 0.00 55.73 58.33 3hkx s ARG 17 Cb -0.10 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.30 3hkx s ARG 17 CO 0.18 -0.72 0.00 0.41 0.02 0.00 0.00 175.30 175.19 3hkx n GLY 18 N 3.65 0.58 3.28 -3.53 0.00 -1.26 -5.04 105.19 102.88 3hkx n GLY 18 Ca 0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 3hkx n GLY 18 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hkx s SER 19 N -2.10 2.95 -0.01 1.61 0.15 -0.93 -1.59 113.70 113.79 3hkx s SER 19 Ca 0.00 -0.46 0.01 0.00 0.70 0.00 0.00 55.95 56.19 3hkx s SER 19 Cb 0.00 -0.46 0.01 0.00 -1.71 0.00 0.00 66.02 63.86 3hkx s SER 19 CO 0.00 0.29 0.82 1.41 1.20 0.00 0.00 173.24 176.96 3hkx n HIS 20 N 2.60 0.00 -3.76 3.44 8.25 -1.26 -4.63 115.22 119.86 3hkx n HIS 20 Ca -0.16 -0.32 -0.20 0.00 -0.26 0.00 0.00 57.72 56.78 3hkx n HIS 20 Cb 0.52 -0.04 -0.17 0.00 1.12 0.00 0.00 29.99 31.42 3hkx n HIS 20 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 3hkx s MET 21 N -0.68 0.21 -0.13 -0.41 -2.45 -1.26 -5.04 119.30 109.54 3hkx s MET 21 Ca 0.01 0.22 0.03 0.00 -1.25 0.00 0.00 55.69 54.70 3hkx s MET 21 Cb 0.01 -0.62 0.01 0.00 1.25 0.00 0.00 34.83 35.48 3hkx s MET 21 CO 0.00 -0.27 -0.21 0.50 1.05 0.00 0.00 175.02 176.09 3hkx s ARG 22 N 1.78 2.94 0.29 4.11 3.52 -1.26 -1.11 118.95 129.23 3hkx s ARG 22 Ca 0.01 -0.83 0.11 0.00 -0.13 0.00 0.00 55.73 54.89 3hkx s ARG 22 Cb -0.12 -2.37 -0.05 0.00 -1.56 0.00 0.00 34.95 30.84 3hkx s ARG 22 CO -0.03 -0.01 -0.15 0.96 -0.81 0.00 0.00 175.30 175.26 3hkx s ILE 23 N 0.80 2.54 0.06 4.11 -4.36 -0.24 -1.00 121.20 123.12 3hkx s ILE 23 Ca -0.08 -2.30 0.05 0.00 -0.26 0.00 0.00 60.65 58.07 3hkx s ILE 23 Cb -0.16 -2.45 -0.03 0.00 1.25 0.00 0.00 42.46 41.08 3hkx s ILE 23 CO -0.01 -0.35 -0.14 0.00 0.24 0.00 0.00 174.94 174.67 3hkx s ALA 24 N -2.51 1.20 -0.07 2.27 0.00 0.08 -1.15 121.76 121.58 3hkx s ALA 24 Ca 0.31 -0.97 0.02 0.00 0.00 0.00 0.00 51.96 51.32 3hkx s ALA 24 Cb -0.04 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.97 3hkx s ALA 24 CO 0.16 0.19 -0.14 -0.51 0.00 0.00 0.00 175.76 175.46 3hkx s LEU 25 N -1.59 1.69 -0.22 0.00 1.02 0.67 -0.57 118.68 119.67 3hkx s LEU 25 Ca -0.01 -0.34 -0.17 0.00 0.02 0.00 0.00 54.13 53.63 3hkx s LEU 25 Cb -0.09 -0.92 -0.03 0.00 0.02 0.00 0.00 46.19 45.16 3hkx s LEU 25 CO 0.02 0.04 0.47 -0.32 0.02 0.00 0.00 176.35 176.59 3hkx s MET 26 N 0.67 4.14 -0.20 1.70 -2.45 -0.18 -1.03 119.30 121.96 3hkx s MET 26 Ca -0.14 0.30 0.01 0.00 -1.25 0.00 0.00 55.69 54.61 3hkx s MET 26 Cb -0.16 -3.59 0.03 0.00 1.25 0.00 0.00 34.83 32.36 3hkx s MET 26 CO 0.04 -0.18 -0.17 -1.14 1.05 0.00 0.00 175.02 174.62 3hkx s GLN 27 N 1.75 2.73 0.13 4.11 0.74 -0.54 -4.30 119.66 124.28 3hkx s GLN 27 Ca 0.21 -0.92 -0.25 0.00 0.05 0.00 0.00 55.36 54.45 3hkx s GLN 27 Cb -0.15 -2.60 0.07 0.00 1.10 0.00 0.00 33.01 31.43 3hkx s GLN 27 CO 0.09 -0.30 0.74 -1.58 -0.55 0.00 0.00 175.29 173.69 3hkx s HIS 28 N 1.27 -0.39 0.22 1.67 2.46 -1.24 -1.23 115.29 118.05 3hkx s HIS 28 Ca 0.02 0.16 -0.28 0.00 0.47 0.00 0.00 55.06 55.42 3hkx s HIS 28 Cb -0.15 0.58 -0.09 0.00 -0.13 0.00 0.00 32.58 32.80 3hkx s HIS 28 CO -0.11 -0.82 0.89 0.99 -2.47 0.00 0.00 174.74 173.22 3hkx s THR 29 N -3.55 4.19 0.18 0.89 2.01 -1.24 -2.95 115.64 115.16 3hkx s THR 29 Ca 0.05 1.93 0.06 0.00 0.31 0.00 0.00 61.69 64.04 3hkx s THR 29 Cb -0.02 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 3hkx s THR 29 CO -0.07 0.47 0.06 0.00 -0.69 0.00 0.00 174.62 174.39 3hkx s ALA 30 N -1.22 3.37 -0.26 7.40 0.00 -1.26 -5.02 121.76 124.76 3hkx s ALA 30 Ca 0.40 -1.31 -0.13 0.00 0.00 0.00 0.00 51.96 50.92 3hkx s ALA 30 Cb -0.24 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 3hkx s ALA 30 CO 0.29 0.48 0.27 1.03 0.00 0.00 0.00 175.76 177.83 3hkx s ARG 31 N -3.06 4.01 0.29 0.00 0.52 -1.26 -4.80 118.95 114.65 3hkx s ARG 31 Ca 0.29 -0.14 -0.30 0.00 -0.52 0.00 0.00 55.73 55.06 3hkx s ARG 31 Cb -0.09 -3.63 -0.12 0.00 0.52 0.00 0.00 34.95 31.63 3hkx s ARG 31 CO 0.21 -0.17 1.56 -2.30 0.02 0.00 0.00 175.30 174.63 3hkx n PRO 32 N 4.99 2.61 -1.61 3.54 -0.02 -1.26 -2.34 135.00 140.92 3hkx n PRO 32 Ca -0.12 0.93 -0.15 0.00 -2.02 0.00 0.00 63.50 62.14 3hkx n PRO 32 Cb 0.51 -2.69 -0.05 0.00 -0.02 0.00 0.00 33.50 31.25 3hkx n PRO 32 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hkx n LEU 33 N 2.07 -1.23 -3.44 2.45 4.77 -0.00 -4.94 117.00 116.68 3hkx n LEU 33 Ca 0.09 0.30 -0.26 0.00 -0.03 0.00 0.00 56.01 56.10 3hkx n LEU 33 Cb 0.36 -2.24 -0.09 0.00 -2.33 0.00 0.00 43.42 39.13 3hkx n LEU 33 CO 0.64 -0.67 -0.09 -0.67 -1.33 0.00 0.00 177.39 175.27 3hkx n ASP 34 N -0.55 2.19 0.21 -1.43 -0.08 -0.99 -4.94 116.55 110.97 3hkx n ASP 34 Ca -0.16 -3.08 0.05 0.00 -1.51 0.00 0.00 54.79 50.09 3hkx n ASP 34 Cb 0.53 -0.66 0.46 0.00 2.34 0.00 0.00 41.12 43.79 3hkx n ASP 34 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hkx h PRO 35 N 4.52 0.00 -0.24 -0.67 0.13 -1.84 -1.63 132.00 132.26 3hkx h PRO 35 Ca 0.16 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.33 3hkx h PRO 35 Cb 0.76 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.86 3hkx h PRO 35 CO 0.66 0.26 0.03 0.37 -0.23 0.00 0.00 178.00 179.10 3hkx h GLN 36 N 0.00 0.12 -0.14 0.86 4.15 -1.92 0.12 115.11 118.29 3hkx h GLN 36 Ca -0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 3hkx h GLN 36 Cb 0.49 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 3hkx h GLN 36 CO 0.03 0.08 0.07 1.25 -1.93 0.00 0.00 178.83 178.33 3hkx h HIS 37 N 0.12 0.21 -0.38 3.99 2.76 -1.88 -1.81 115.15 118.16 3hkx h HIS 37 Ca 0.11 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.12 3hkx h HIS 37 Cb 0.12 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 3hkx h HIS 37 CO -0.17 0.26 -0.37 -0.91 -1.30 0.00 0.00 177.93 175.45 3hkx h ASN 38 N 0.10 0.94 0.28 3.26 2.35 -1.00 -2.05 115.58 119.45 3hkx h ASN 38 Ca 0.05 -0.42 -0.15 0.00 -0.55 0.00 0.00 56.30 55.23 3hkx h ASN 38 Cb 0.13 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3hkx h ASN 38 CO -0.01 1.20 -0.58 -0.07 -1.65 0.00 0.00 177.43 176.32 3hkx h LEU 39 N 0.73 0.35 -1.22 1.61 4.07 -0.84 -1.94 115.31 118.08 3hkx h LEU 39 Ca 0.07 -0.19 0.02 0.00 0.08 0.00 0.00 57.88 57.85 3hkx h LEU 39 Cb 0.94 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.54 3hkx h LEU 39 CO 0.09 0.85 0.53 0.44 -1.08 0.00 0.00 178.44 179.27 3hkx h ASP 40 N 0.23 0.90 -0.66 -0.43 3.32 -1.15 0.10 116.42 118.73 3hkx h ASP 40 Ca -0.00 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 3hkx h ASP 40 Cb 1.09 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.39 3hkx h ASP 40 CO 0.09 0.64 0.27 -0.07 -1.72 0.00 0.00 179.24 178.46 3hkx h LEU 41 N 1.06 0.91 -0.77 1.55 3.38 -0.84 -0.40 115.31 120.19 3hkx h LEU 41 Ca 0.30 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 3hkx h LEU 41 Cb -0.08 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3hkx h LEU 41 CO -0.07 0.83 0.01 0.40 0.09 0.00 0.00 178.44 179.69 3hkx h ILE 42 N 0.93 1.26 -0.58 1.22 2.04 -0.89 -1.74 117.51 119.74 3hkx h ILE 42 Ca 0.22 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 64.98 3hkx h ILE 42 Cb 0.20 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.07 3hkx h ILE 42 CO -0.02 0.39 0.27 -0.78 0.00 0.00 0.00 178.15 178.01 3hkx h ASP 43 N 0.87 0.76 -0.68 1.72 3.58 -0.43 0.13 116.42 122.37 3hkx h ASP 43 Ca 0.16 -0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 3hkx h ASP 43 Cb 0.50 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.32 3hkx h ASP 43 CO 0.02 0.68 0.42 0.44 -2.88 0.00 0.00 179.24 177.92 3hkx h ASP 44 N 0.79 0.82 -0.14 2.28 3.32 -0.83 -1.70 116.42 120.95 3hkx h ASP 44 Ca 0.20 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.07 3hkx h ASP 44 Cb 0.13 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3hkx h ASP 44 CO -0.02 0.64 -0.30 0.00 -1.72 0.00 0.00 179.24 177.83 3hkx h ALA 45 N 1.22 0.92 -0.43 3.45 0.00 -0.93 -1.65 119.26 121.84 3hkx h ALA 45 Ca 0.25 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 3hkx h ALA 45 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3hkx h ALA 45 CO -0.05 0.62 0.08 0.00 0.00 0.00 0.00 179.25 179.91 3hkx h ALA 46 N 1.13 0.57 -0.03 0.00 0.00 -0.66 0.17 119.26 120.45 3hkx h ALA 46 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hkx h ALA 46 Cb 0.79 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hkx h ALA 46 CO 0.06 0.27 0.02 0.00 0.00 0.00 0.00 179.25 179.60 3hkx h ALA 47 N 0.95 0.04 -0.85 0.00 0.00 -1.21 -0.43 119.26 117.76 3hkx h ALA 47 Ca 0.13 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hkx h ALA 47 Cb 0.35 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3hkx h ALA 47 CO 0.01 -0.46 0.46 0.00 0.00 0.00 0.00 179.25 179.25 3hkx h ARG 48 N 0.02 1.20 -0.41 0.00 3.08 -1.12 -0.35 114.38 116.79 3hkx h ARG 48 Ca 0.01 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3hkx h ARG 48 Cb 0.01 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 3hkx h ARG 48 CO -0.00 0.88 0.16 0.00 -1.07 0.00 0.00 179.97 179.95 3hkx h ALA 49 N 1.25 0.54 -0.77 0.04 0.00 -0.46 -2.19 119.26 117.67 3hkx h ALA 49 Ca 0.30 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 3hkx h ALA 49 Cb 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3hkx h ALA 49 CO -0.05 0.15 0.44 1.03 0.00 0.00 0.00 179.25 180.82 3hkx h SER 50 N 0.52 0.95 0.29 0.00 0.87 -0.70 -1.67 113.55 113.81 3hkx h SER 50 Ca 0.14 -0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 3hkx h SER 50 Cb 0.20 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.91 3hkx h SER 50 CO -0.01 0.76 -0.18 -0.33 -0.53 0.00 0.00 176.83 176.53 3hkx h GLU 51 N 1.07 0.00 -0.26 2.24 5.08 -0.85 -1.04 114.58 120.81 3hkx h GLU 51 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3hkx h GLU 51 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3hkx h GLU 51 CO -0.05 0.18 0.00 1.04 -1.00 0.00 0.00 179.01 179.19 3hkx n GLN 52 N -4.00 1.70 -0.81 2.33 6.02 -0.81 -4.90 117.38 116.91 3hkx n GLN 52 Ca -0.02 -1.07 0.00 0.00 -0.01 0.00 0.00 57.00 55.90 3hkx n GLN 52 Cb 0.27 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.24 3hkx n GLN 52 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hkx n GLY 53 N 1.02 0.59 3.77 1.08 0.00 -0.40 -4.95 105.19 106.31 3hkx n GLY 53 Ca 0.12 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 3hkx n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkx s ALA 54 N -2.00 3.15 -0.98 4.61 0.00 -0.70 -4.71 121.76 121.13 3hkx s ALA 54 Ca 0.00 0.91 0.21 0.00 0.00 0.00 0.00 51.96 53.09 3hkx s ALA 54 Cb 0.00 -3.36 -0.16 0.00 0.00 0.00 0.00 23.12 19.60 3hkx s ALA 54 CO 0.00 -0.46 0.94 1.04 0.00 0.00 0.00 175.76 177.28 3hkx n GLN 55 N 0.08 0.02 -3.78 0.00 3.00 -0.17 -4.41 117.38 112.11 3hkx n GLN 55 Ca 0.04 -0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.90 3hkx n GLN 55 Cb 0.47 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 29.10 3hkx n GLN 55 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3hkx s LEU 56 N -3.04 0.93 -0.14 1.08 0.20 -1.24 -1.85 118.68 114.61 3hkx s LEU 56 Ca 0.08 0.56 0.02 0.00 0.69 0.00 0.00 54.13 55.48 3hkx s LEU 56 Cb 0.16 0.96 0.00 0.00 -0.43 0.00 0.00 46.19 46.89 3hkx s LEU 56 CO 0.86 -0.10 -0.20 -0.22 -0.29 0.00 0.00 176.35 176.40 3hkx s LEU 57 N 0.14 2.25 -0.18 -0.68 2.96 0.06 -0.74 118.68 122.48 3hkx s LEU 57 Ca -0.00 -0.55 -0.09 0.00 -0.22 0.00 0.00 54.13 53.27 3hkx s LEU 57 Cb -0.02 -1.49 -0.05 0.00 0.50 0.00 0.00 46.19 45.14 3hkx s LEU 57 CO 0.00 0.09 0.12 -0.22 -1.32 0.00 0.00 176.35 175.02 3hkx s LEU 58 N 0.78 4.15 0.33 -0.68 2.96 0.27 -0.91 118.68 125.58 3hkx s LEU 58 Ca -0.07 0.25 0.08 0.00 -0.22 0.00 0.00 54.13 54.17 3hkx s LEU 58 Cb -0.16 -2.05 -0.06 0.00 0.50 0.00 0.00 46.19 44.42 3hkx s LEU 58 CO -0.01 0.23 -0.07 0.42 -1.32 0.00 0.00 176.35 175.61 3hkx s THR 59 N 0.05 2.00 0.77 3.68 -4.23 -0.51 -1.01 115.64 116.39 3hkx s THR 59 Ca 0.09 -2.16 -0.10 0.00 -1.18 0.00 0.00 61.69 58.34 3hkx s THR 59 Cb -0.11 -2.63 0.07 0.00 1.34 0.00 0.00 72.50 71.17 3hkx s THR 59 CO -0.00 -0.20 1.13 -2.84 -0.54 0.00 0.00 174.62 172.16 3hkx s PRO 60 N -3.66 2.08 0.22 3.99 0.02 -1.26 -4.29 135.00 132.10 3hkx s PRO 60 Ca 0.32 0.03 -0.31 0.00 0.02 0.00 0.00 61.00 61.06 3hkx s PRO 60 Cb 0.04 -2.02 -0.10 0.00 0.02 0.00 0.00 34.50 32.44 3hkx s PRO 60 CO 0.15 -1.46 1.54 -2.00 -0.33 0.00 0.00 177.00 174.90 3hkx s GLU 61 N -5.47 4.21 -1.10 5.54 2.12 -0.59 -2.76 118.70 120.64 3hkx s GLU 61 Ca 0.61 2.40 -0.01 0.00 0.36 0.00 0.00 54.97 58.32 3hkx s GLU 61 Cb -0.11 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.18 3hkx s GLU 61 CO 0.48 -0.56 0.09 1.28 -0.54 0.00 0.00 175.26 176.01 3hkx n LEU 62 N 3.14 -1.26 -0.23 2.70 4.77 -0.90 -4.63 117.00 120.58 3hkx n LEU 62 Ca 0.11 0.09 -0.02 0.00 -0.03 0.00 0.00 56.01 56.17 3hkx n LEU 62 Cb 0.39 -2.17 0.18 0.00 -2.33 0.00 0.00 43.42 39.49 3hkx n LEU 62 CO 0.62 -0.07 1.16 0.15 -1.33 0.00 0.00 177.39 177.91 3hkx h PHE 63 N -0.19 1.02 -0.95 -1.77 3.57 -1.53 -2.10 116.94 114.99 3hkx h PHE 63 Ca -0.32 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.25 3hkx h PHE 63 Cb 1.23 -0.33 -0.07 0.00 2.79 0.00 0.00 35.95 39.58 3hkx h PHE 63 CO 0.69 0.71 0.61 0.78 -2.23 0.00 0.00 178.31 178.87 3hkx h GLY 64 N 1.08 1.42 -1.31 2.40 0.00 -1.88 -2.24 103.07 102.55 3hkx h GLY 64 Ca 0.26 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3hkx h GLY 64 CO -0.04 0.25 0.00 0.69 0.00 0.00 0.00 176.54 177.44 3hkx n PHE 65 N -4.53 0.13 -0.35 5.60 3.72 -1.14 -3.70 117.46 117.19 3hkx n PHE 65 Ca 0.16 -0.10 0.04 0.00 -0.05 0.00 0.00 57.45 57.49 3hkx n PHE 65 Cb 0.26 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.78 3hkx n PHE 65 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hkx n GLY 66 N 0.85 -2.83 3.58 1.37 0.00 -0.80 -0.82 105.19 106.53 3hkx n GLY 66 Ca 0.10 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 3hkx n GLY 66 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hkx s TYR 67 N -3.40 2.66 -0.40 1.61 5.04 -1.25 -4.76 117.35 116.85 3hkx s TYR 67 Ca 0.00 -1.31 0.07 0.00 -2.44 0.00 0.00 57.07 53.39 3hkx s TYR 67 Cb 0.00 -4.67 0.23 0.00 0.35 0.00 0.00 41.96 37.87 3hkx s TYR 67 CO 0.00 -1.77 0.49 1.33 -1.34 0.00 0.00 175.55 174.26 3hkx n VAL 68 N 6.61 -0.70 -0.17 3.14 0.24 -1.26 -4.77 118.33 121.42 3hkx n VAL 68 Ca 0.46 -3.93 -0.08 0.00 -2.04 0.00 0.00 64.34 58.75 3hkx n VAL 68 Cb 0.47 -1.90 -0.03 0.00 -1.47 0.00 0.00 33.84 30.91 3hkx n VAL 68 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3hkx h PRO 69 N 4.36 -0.25 -0.73 7.34 0.11 -1.91 -1.01 132.00 139.91 3hkx h PRO 69 Ca 0.12 0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.28 3hkx h PRO 69 Cb 0.88 0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.00 3hkx h PRO 69 CO 0.45 -0.16 0.48 0.66 -0.21 0.00 0.00 178.00 179.22 3hkx h SER 70 N -0.26 0.77 1.05 -2.05 4.64 -1.96 -1.35 113.55 114.39 3hkx h SER 70 Ca 0.17 -0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.36 3hkx h SER 70 Cb 0.57 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 3hkx h SER 70 CO -0.63 0.53 -0.58 1.56 -0.87 0.00 0.00 176.83 176.85 3hkx h GLN 71 N 0.90 0.00 -0.17 4.77 1.08 -1.74 -1.59 115.11 118.35 3hkx h GLN 71 Ca 0.29 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.46 3hkx h GLN 71 Cb 0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3hkx h GLN 71 CO -0.08 0.58 -0.03 0.82 -0.95 0.00 0.00 178.83 179.16 3hkx h ILE 72 N 0.00 1.28 -0.42 2.54 2.04 -0.41 0.27 117.51 122.82 3hkx h ILE 72 Ca -0.01 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 64.92 3hkx h ILE 72 Cb 1.26 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.89 3hkx h ILE 72 CO 0.07 0.29 0.20 0.00 0.00 0.00 0.00 178.15 178.72 3hkx h ALA 74 N 1.22 0.39 0.00 0.00 0.00 -1.22 -3.40 119.26 116.25 3hkx h ALA 74 Ca 0.18 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3hkx h ALA 74 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hkx h ALA 74 CO -0.13 1.19 -0.45 1.04 0.00 0.00 0.00 179.25 180.90 3hkx n GLN 75 N -3.35 3.50 -3.74 0.00 6.02 0.08 -5.00 117.38 114.89 3hkx n GLN 75 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 3hkx n GLN 75 Cb 0.92 -0.71 -0.12 0.00 1.02 0.00 0.00 30.24 31.35 3hkx n GLN 75 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hkx s VAL 76 N -1.37 4.21 0.59 5.09 1.01 -0.46 -5.03 120.40 124.44 3hkx s VAL 76 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 3hkx s VAL 76 Cb 0.00 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3hkx s VAL 76 CO 0.00 0.20 0.96 -0.94 0.00 0.00 0.00 175.10 175.32 3hkx s SER 77 N 1.57 6.07 0.27 3.32 1.04 -1.26 -4.80 113.70 119.91 3hkx s SER 77 Ca 0.05 1.18 -0.02 0.00 0.48 0.00 0.00 55.95 57.63 3hkx s SER 77 Cb -0.16 -2.26 0.40 0.00 0.10 0.00 0.00 66.02 64.10 3hkx s SER 77 CO 0.03 -0.87 1.88 0.00 0.98 0.00 0.00 173.24 175.26 3hkx h ALA 78 N -0.21 1.40 -0.87 5.32 0.00 -1.90 -1.28 119.26 121.72 3hkx h ALA 78 Ca -0.45 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hkx h ALA 78 Cb 1.21 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3hkx h ALA 78 CO 0.62 0.46 0.54 1.49 0.00 0.00 0.00 179.25 182.36 3hkx h GLU 79 N 1.19 1.16 -0.24 0.00 4.81 -1.93 -0.23 114.58 119.34 3hkx h GLU 79 Ca 0.43 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 59.43 3hkx h GLU 79 Cb 0.16 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3hkx h GLU 79 CO -0.17 0.80 -0.42 1.96 -0.73 0.00 0.00 179.01 180.45 3hkx h GLN 80 N 1.19 0.59 -0.09 1.92 4.20 -1.76 -1.76 115.11 119.40 3hkx h GLN 80 Ca 0.31 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3hkx h GLN 80 Cb -0.08 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.71 3hkx h GLN 80 CO -0.06 0.90 0.01 0.28 -0.67 0.00 0.00 178.83 179.29 3hkx h VAL 81 N 0.48 1.22 -1.00 -0.54 2.07 -0.97 -2.30 116.25 115.22 3hkx h VAL 81 Ca 0.04 -0.70 0.14 0.00 0.82 0.00 0.00 66.70 67.01 3hkx h VAL 81 Cb 0.93 1.52 -0.09 0.00 -1.52 0.00 0.00 31.29 32.13 3hkx h VAL 81 CO 0.08 0.20 0.62 -0.78 0.02 0.00 0.00 177.57 177.71 3hkx h ASP 82 N -0.10 0.86 -0.51 0.57 3.58 -0.97 -0.57 116.42 119.28 3hkx h ASP 82 Ca 0.03 0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.44 3hkx h ASP 82 Cb 0.30 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.22 3hkx h ASP 82 CO 0.00 0.41 -0.05 0.00 -2.88 0.00 0.00 179.24 176.72 3hkx h ALA 83 N 1.58 0.88 -0.45 -0.78 0.00 -1.01 -0.40 119.26 119.08 3hkx h ALA 83 Ca 0.52 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 3hkx h ALA 83 Cb 0.64 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3hkx h ALA 83 CO -0.30 0.65 -0.11 0.00 0.00 0.00 0.00 179.25 179.49 3hkx h ALA 84 N 1.05 0.62 -0.35 0.00 0.00 -0.86 -1.63 119.26 118.09 3hkx h ALA 84 Ca 0.15 -0.33 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3hkx h ALA 84 Cb 0.59 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 3hkx h ALA 84 CO 0.04 0.51 -0.00 -0.09 0.00 0.00 0.00 179.25 179.71 3hkx h ARG 85 N 0.70 0.09 -0.82 0.00 2.43 -0.89 -0.06 114.38 115.83 3hkx h ARG 85 Ca 0.11 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.35 3hkx h ARG 85 Cb 0.65 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.12 3hkx h ARG 85 CO 0.04 0.06 0.50 0.77 -1.51 0.00 0.00 179.97 179.83 3hkx h SER 86 N 0.09 0.76 -0.71 -3.80 0.02 -0.92 -1.30 113.55 107.69 3hkx h SER 86 Ca 0.17 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 3hkx h SER 86 Cb 0.23 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 3hkx h SER 86 CO -0.28 0.47 0.21 -0.09 -1.14 0.00 0.00 176.83 176.00 3hkx h ARG 87 N 0.88 1.10 -0.33 3.45 9.65 -0.61 -1.89 114.38 126.65 3hkx h ARG 87 Ca 0.37 -0.24 -0.03 0.00 -1.10 0.00 0.00 59.98 58.98 3hkx h ARG 87 Cb 0.23 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.64 3hkx h ARG 87 CO -0.19 0.95 0.10 -0.07 2.80 0.00 0.00 179.97 183.56 3hkx h LEU 88 N 1.04 0.48 -0.73 3.80 3.38 -0.47 0.91 115.31 123.73 3hkx h LEU 88 Ca 0.23 -0.21 0.12 0.00 0.09 0.00 0.00 57.88 58.11 3hkx h LEU 88 Cb 0.31 -0.13 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 3hkx h LEU 88 CO -0.01 0.56 0.32 0.03 0.09 0.00 0.00 178.44 179.44 3hkx h ARG 89 N 0.38 0.49 -0.77 1.13 3.08 -1.18 -1.63 114.38 115.88 3hkx h ARG 89 Ca 0.11 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 3hkx h ARG 89 Cb 0.25 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 3hkx h ARG 89 CO -0.00 0.32 0.40 0.78 -1.07 0.00 0.00 179.97 180.40 3hkx h GLY 90 N 0.50 1.16 0.96 0.04 0.00 -0.78 -2.14 103.07 102.81 3hkx h GLY 90 Ca 0.39 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 3hkx h GLY 90 CO -0.35 0.51 0.20 -2.22 0.00 0.00 0.00 176.54 174.68 3hkx h ILE 91 N 1.08 1.19 -0.10 2.60 2.04 -0.09 0.21 117.51 124.44 3hkx h ILE 91 Ca 0.27 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.56 3hkx h ILE 91 Cb 0.06 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3hkx h ILE 91 CO -0.04 0.22 0.07 0.00 0.00 0.00 0.00 178.15 178.40 3hkx h ALA 92 N 1.04 0.13 0.36 1.87 0.00 -1.14 0.17 119.26 121.70 3hkx h ALA 92 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3hkx h ALA 92 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hkx h ALA 92 CO -0.02 -0.38 -0.17 -0.09 0.00 0.00 0.00 179.25 178.60 3hkx h ARG 93 N 0.14 -0.46 0.00 0.00 2.43 -1.30 -0.79 114.38 114.40 3hkx h ARG 93 Ca 0.04 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3hkx h ARG 93 Cb -0.01 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 3hkx h ARG 93 CO -0.01 -0.26 -0.32 -0.44 -1.51 0.00 0.00 179.97 177.43 3hkx h ASP 94 N -0.56 0.00 -0.03 -3.80 3.32 -0.48 -2.56 116.42 112.31 3hkx h ASP 94 Ca -0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3hkx h ASP 94 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3hkx h ASP 94 CO 0.08 0.32 0.00 0.54 -1.72 0.00 0.00 179.24 178.46 3hkx n ARG 95 N -3.43 2.26 -3.54 3.56 5.12 0.04 -5.00 116.66 115.66 3hkx n ARG 95 Ca 0.00 -1.83 -0.20 0.00 -1.93 0.00 0.00 57.85 53.89 3hkx n ARG 95 Cb 0.50 -1.46 0.05 0.00 -1.16 0.00 0.00 32.46 30.40 3hkx n ARG 95 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hkx n GLY 96 N 1.33 -0.57 3.26 -0.13 0.00 -0.38 -4.84 105.19 103.86 3hkx n GLY 96 Ca 0.15 0.25 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 3hkx n GLY 96 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hkx s ILE 97 N -3.52 -0.01 0.59 -0.61 2.07 -0.72 -4.88 121.20 114.12 3hkx s ILE 97 Ca 0.15 0.04 -0.19 0.00 -1.41 0.00 0.00 60.65 59.24 3hkx s ILE 97 Cb -0.03 -0.55 -0.03 0.00 0.13 0.00 0.00 42.46 41.97 3hkx s ILE 97 CO 0.78 0.02 1.27 0.00 -1.91 0.00 0.00 174.94 175.10 3hkx s ALA 98 N 0.65 2.58 -0.03 1.50 0.00 -0.77 -4.13 121.76 121.55 3hkx s ALA 98 Ca -0.04 1.14 -0.01 0.00 0.00 0.00 0.00 51.96 53.06 3hkx s ALA 98 Cb -0.05 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.60 3hkx s ALA 98 CO -0.04 -1.31 0.06 -1.17 0.00 0.00 0.00 175.76 173.29 3hkx s LEU 99 N -3.97 0.90 -0.16 0.00 2.96 -0.17 -0.76 118.68 117.46 3hkx s LEU 99 Ca 0.77 0.10 -0.01 0.00 -0.22 0.00 0.00 54.13 54.76 3hkx s LEU 99 Cb -0.35 0.01 -0.01 0.00 0.50 0.00 0.00 46.19 46.34 3hkx s LEU 99 CO 0.38 -0.15 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.47 3hkx s VAL 100 N 1.22 3.12 0.35 1.68 1.01 -0.09 -1.09 120.40 126.61 3hkx s VAL 100 Ca -0.07 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.32 3hkx s VAL 100 Cb -0.13 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3hkx s VAL 100 CO -0.04 0.49 0.11 -1.66 0.00 0.00 0.00 175.10 174.01 3hkx s TRP 101 N 0.77 1.78 -0.09 5.22 -2.14 -0.75 -1.42 118.94 122.31 3hkx s TRP 101 Ca -0.04 -1.20 -0.03 0.00 2.66 0.00 0.00 56.10 57.49 3hkx s TRP 101 Cb -0.15 -1.12 0.04 0.00 -3.10 0.00 0.00 33.47 29.14 3hkx s TRP 101 CO 0.01 -0.25 0.08 0.45 -2.66 0.00 0.00 176.95 174.57 3hkx s SER 102 N -3.51 1.59 0.29 -2.66 0.15 -1.26 -0.76 113.70 107.55 3hkx s SER 102 Ca 0.31 -0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.82 3hkx s SER 102 Cb 0.05 -0.16 -0.06 0.00 -1.71 0.00 0.00 66.02 64.14 3hkx s SER 102 CO 0.15 -0.29 0.00 -0.76 1.20 0.00 0.00 173.24 173.55 3hkx s LEU 103 N 2.16 2.30 0.69 3.45 1.43 -1.15 -2.12 118.68 125.45 3hkx s LEU 103 Ca 0.04 -1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 51.69 3hkx s LEU 103 Cb -0.14 -0.45 -0.02 0.00 0.03 0.00 0.00 46.19 45.61 3hkx s LEU 103 CO -0.05 -0.50 0.82 -2.65 0.23 0.00 0.00 176.35 174.20 3hkx n PRO 104 N -0.60 0.51 -0.58 1.29 -0.02 -1.26 -0.82 135.00 133.52 3hkx n PRO 104 Ca -0.04 0.22 -0.31 0.00 -2.02 0.00 0.00 63.50 61.36 3hkx n PRO 104 Cb 0.65 -2.08 0.28 0.00 -0.02 0.00 0.00 33.50 32.33 3hkx n PRO 104 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hkx s GLY 105 N -1.50 1.46 0.00 -1.23 0.00 0.13 -4.71 107.32 101.47 3hkx s GLY 105 Ca 0.71 -0.89 0.24 0.00 0.00 0.00 0.00 44.72 44.79 3hkx s GLY 105 CO 0.52 0.10 1.26 -1.55 0.00 0.00 0.00 173.10 173.42 3hkx n PRO 106 N -5.41 0.57 -1.49 2.90 -0.04 -1.26 -4.82 135.00 125.45 3hkx n PRO 106 Ca 0.13 -0.41 -0.27 0.00 -0.04 0.00 0.00 63.50 62.91 3hkx n PRO 106 Cb 0.60 -1.49 0.20 0.00 -0.04 0.00 0.00 33.50 32.77 3hkx n PRO 106 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hkx n GLU 107 N -0.85 -1.75 -0.83 0.54 4.71 -1.26 -4.88 120.64 116.32 3hkx n GLU 107 Ca 0.08 -1.79 -0.31 0.00 -0.01 0.00 0.00 57.16 55.13 3hkx n GLU 107 Cb 0.37 -1.33 0.15 0.00 -1.01 0.00 0.00 31.44 29.62 3hkx n GLU 107 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3hkx s GLY 108 N -5.23 1.75 0.50 0.62 0.00 -1.26 -4.55 107.32 99.15 3hkx s GLY 108 Ca 0.68 0.58 0.32 0.00 0.00 0.00 0.00 44.72 46.30 3hkx s GLY 108 CO 0.49 0.99 1.79 -2.55 0.00 0.00 0.00 173.10 173.82 3hkx h PRO 109 N -1.65 0.10 -0.02 2.90 0.11 -1.90 0.71 132.00 132.26 3hkx h PRO 109 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3hkx h PRO 109 Cb 1.27 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hkx h PRO 109 CO 0.43 0.07 -0.16 0.39 -0.21 0.00 0.00 178.00 178.52 3hkx n GLU 110 N -4.31 1.48 -0.00 1.05 1.02 -1.26 -4.26 120.64 114.36 3hkx n GLU 110 Ca 0.26 -1.04 0.03 0.00 -0.02 0.00 0.00 57.16 56.39 3hkx n GLU 110 Cb 1.17 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 31.07 3hkx n GLU 110 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hkx n GLN 111 N 0.15 0.74 -2.51 3.49 3.00 0.13 -4.86 117.38 117.53 3hkx n GLN 111 Ca 0.14 -0.04 -0.28 0.00 -0.01 0.00 0.00 57.00 56.81 3hkx n GLN 111 Cb 0.43 -1.08 -0.00 0.00 0.00 0.00 0.00 30.24 29.59 3hkx n GLN 111 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 3hkx s ARG 112 N -2.26 3.56 0.00 -1.09 1.70 -0.56 -4.63 118.95 115.67 3hkx s ARG 112 Ca -0.01 0.31 0.00 0.00 -0.47 0.00 0.00 55.73 55.56 3hkx s ARG 112 Cb 0.03 -2.32 0.00 0.00 -0.57 0.00 0.00 34.95 32.09 3hkx s ARG 112 CO 0.21 -0.27 0.00 0.41 -1.08 0.00 0.00 175.30 174.58 3hkx n GLY 113 N -2.31 4.22 3.72 3.88 0.00 -1.26 -1.36 105.19 112.08 3hkx n GLY 113 Ca 0.02 -2.11 -0.37 0.00 0.00 0.00 0.00 46.02 43.56 3hkx n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkx s ILE 114 N 0.59 5.27 0.37 -0.61 1.01 -1.26 -0.69 121.20 125.87 3hkx s ILE 114 Ca 0.00 0.66 0.07 0.00 0.00 0.00 0.00 60.65 61.39 3hkx s ILE 114 Cb 0.00 -3.69 -0.07 0.00 0.01 0.00 0.00 42.46 38.71 3hkx s ILE 114 CO 0.00 0.36 -0.02 0.42 0.00 0.00 0.00 174.94 175.70 3hkx s THR 115 N 0.57 1.95 0.03 2.92 -4.23 0.00 -0.45 115.64 116.42 3hkx s THR 115 Ca 0.19 -2.08 0.03 0.00 -1.18 0.00 0.00 61.69 58.66 3hkx s THR 115 Cb -0.14 -2.81 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 3hkx s THR 115 CO 0.06 -0.09 -0.10 0.00 -0.54 0.00 0.00 174.62 173.94 3hkx s ALA 116 N -2.77 0.81 0.02 3.99 0.00 -0.13 -2.92 121.76 120.76 3hkx s ALA 116 Ca 0.34 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.65 3hkx s ALA 116 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 3hkx s ALA 116 CO 0.17 0.12 -0.06 -1.21 0.00 0.00 0.00 175.76 174.77 3hkx s GLU 117 N -1.03 0.45 -0.15 0.00 2.02 0.06 -0.89 118.70 119.16 3hkx s GLU 117 Ca -0.02 -0.54 0.00 0.00 0.02 0.00 0.00 54.97 54.43 3hkx s GLU 117 Cb -0.07 -0.27 -0.00 0.00 0.10 0.00 0.00 34.13 33.88 3hkx s GLU 117 CO 0.01 0.06 -0.16 -1.17 0.02 0.00 0.00 175.26 174.02 3hkx s LEU 118 N -1.07 2.49 0.04 1.80 2.96 -0.52 -1.80 118.68 122.58 3hkx s LEU 118 Ca -0.07 -0.45 0.07 0.00 -0.22 0.00 0.00 54.13 53.47 3hkx s LEU 118 Cb -0.07 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 3hkx s LEU 118 CO 0.00 0.11 -0.19 0.00 -1.32 0.00 0.00 176.35 174.95 3hkx s ALA 119 N 0.69 2.57 1.01 5.97 0.00 -0.25 -0.11 121.76 131.64 3hkx s ALA 119 Ca -0.07 -1.21 -0.17 0.00 0.00 0.00 0.00 51.96 50.51 3hkx s ALA 119 Cb -0.16 -0.71 0.22 0.00 0.00 0.00 0.00 23.12 22.47 3hkx s ALA 119 CO 0.02 0.57 1.29 0.16 0.00 0.00 0.00 175.76 177.79 3hkx s ASP 120 N -1.44 2.64 0.00 0.00 1.47 -0.37 -1.00 116.67 117.97 3hkx s ASP 120 Ca 0.14 0.32 0.10 0.00 1.18 0.00 0.00 52.55 54.29 3hkx s ASP 120 Cb -0.10 -0.39 0.58 0.00 -0.34 0.00 0.00 42.92 42.66 3hkx s ASP 120 CO 0.05 -3.03 1.00 -1.84 0.68 0.00 0.00 175.17 172.03 3hkx n GLU 121 N -3.98 0.39 0.00 2.11 0.28 -1.26 -1.16 120.64 117.02 3hkx n GLU 121 Ca 0.15 0.00 0.10 0.00 -0.16 0.00 0.00 57.16 57.25 3hkx n GLU 121 Cb 0.59 -1.39 -0.00 0.00 1.43 0.00 0.00 31.44 32.07 3hkx n GLU 121 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 3hkx n HIS 122 N -0.89 0.00 -0.44 -1.84 8.25 -1.26 -4.14 115.22 114.90 3hkx n HIS 122 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 3hkx n HIS 122 Cb 0.03 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.14 3hkx n HIS 122 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hkx n GLY 123 N 1.33 0.77 3.69 -1.41 0.00 -0.31 -4.51 105.19 104.76 3hkx n GLY 123 Ca 0.09 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3hkx n GLY 123 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hkx s GLU 124 N -0.63 4.15 -0.17 1.61 2.02 -1.26 -4.79 118.70 119.63 3hkx s GLU 124 Ca 0.00 -0.15 -0.29 0.00 0.02 0.00 0.00 54.97 54.55 3hkx s GLU 124 Cb 0.00 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.73 3hkx s GLU 124 CO 0.00 0.15 1.33 0.08 0.02 0.00 0.00 175.26 176.84 3hkx s VAL 125 N 0.79 4.16 -0.11 2.63 1.01 -1.26 -1.24 120.40 126.38 3hkx s VAL 125 Ca 0.10 1.39 0.17 0.00 0.00 0.00 0.00 61.98 63.64 3hkx s VAL 125 Cb -0.13 -3.94 -0.20 0.00 0.00 0.00 0.00 36.38 32.12 3hkx s VAL 125 CO 0.03 -0.17 0.61 0.18 0.00 0.00 0.00 175.10 175.74 3hkx n LEU 126 N 6.86 0.62 -3.67 3.92 4.77 0.84 -4.97 117.00 125.37 3hkx n LEU 126 Ca 0.15 0.28 -0.15 0.00 -0.03 0.00 0.00 56.01 56.26 3hkx n LEU 126 Cb 0.45 0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.63 3hkx n LEU 126 CO 0.58 0.25 0.20 0.00 -1.33 0.00 0.00 177.39 177.09 3hkx s ALA 127 N -2.82 -1.22 0.00 -1.18 0.00 -1.19 -5.00 121.76 110.35 3hkx s ALA 127 Ca -0.05 0.99 0.01 0.00 0.00 0.00 0.00 51.96 52.91 3hkx s ALA 127 Cb 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.94 3hkx s ALA 127 CO 0.83 -0.28 -0.04 -1.12 0.00 0.00 0.00 175.76 175.14 3hkx s SER 128 N -0.74 0.46 -0.03 0.00 0.01 -1.26 -1.44 113.70 110.69 3hkx s SER 128 Ca -0.08 -0.11 -0.03 0.00 1.31 0.00 0.00 55.95 57.04 3hkx s SER 128 Cb -0.03 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.17 3hkx s SER 128 CO 0.05 0.02 0.08 -0.47 0.41 0.00 0.00 173.24 173.33 3hkx s TYR 129 N -0.21 -0.09 -0.24 2.43 5.04 -0.07 -4.82 117.35 119.40 3hkx s TYR 129 Ca 0.00 0.23 -0.08 0.00 -2.44 0.00 0.00 57.07 54.78 3hkx s TYR 129 Cb -0.02 0.00 -0.03 0.00 0.35 0.00 0.00 41.96 42.26 3hkx s TYR 129 CO -0.00 -0.06 0.08 -1.14 -1.34 0.00 0.00 175.55 173.09 3hkx s GLN 130 N 0.21 3.72 -0.16 4.97 0.74 -1.26 -0.96 119.66 126.92 3hkx s GLN 130 Ca -0.01 -0.45 -0.39 0.00 0.05 0.00 0.00 55.36 54.56 3hkx s GLN 130 Cb -0.02 -3.33 -0.16 0.00 1.10 0.00 0.00 33.01 30.60 3hkx s GLN 130 CO -0.01 -0.13 1.63 1.17 -0.55 0.00 0.00 175.29 177.41 3hkx n LYS 131 N 4.75 1.20 0.02 1.67 4.81 0.40 -4.06 118.16 126.95 3hkx n LYS 131 Ca -0.16 0.44 -0.20 0.00 -0.87 0.00 0.00 58.31 57.52 3hkx n LYS 131 Cb 0.52 -2.12 -0.14 0.00 0.02 0.00 0.00 35.03 33.31 3hkx n LYS 131 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3hkx h VAL 132 N 4.66 0.71 -3.48 3.15 2.07 -1.90 0.24 116.25 121.70 3hkx h VAL 132 Ca -0.47 -2.42 -0.75 0.00 0.82 0.00 0.00 66.70 63.88 3hkx h VAL 132 Cb 1.32 2.55 -0.28 0.00 -1.52 0.00 0.00 31.29 33.36 3hkx h VAL 132 CO 0.91 0.86 -0.18 -1.10 0.02 0.00 0.00 177.57 178.07 3hkx s GLN 133 N -2.57 3.00 0.32 1.57 -1.52 -1.26 -4.33 119.66 114.87 3hkx s GLN 133 Ca -0.19 -2.13 -0.27 0.00 -1.95 0.00 0.00 55.36 50.82 3hkx s GLN 133 Cb 0.07 -4.15 -0.09 0.00 -0.22 0.00 0.00 33.01 28.61 3hkx s GLN 133 CO 0.79 -1.25 1.06 -0.51 -0.25 0.00 0.00 175.29 175.13 3hkx s LEU 134 N 0.75 4.41 -0.29 2.90 1.43 -1.26 -4.14 118.68 122.49 3hkx s LEU 134 Ca 0.11 2.14 -0.07 0.00 -1.03 0.00 0.00 54.13 55.28 3hkx s LEU 134 Cb -0.20 -3.83 -0.00 0.00 0.03 0.00 0.00 46.19 42.18 3hkx s LEU 134 CO -0.03 -0.23 0.09 -0.47 0.23 0.00 0.00 176.35 175.94 3hkx s TYR 135 N -1.35 3.14 0.06 0.29 5.04 -1.26 -4.90 117.35 118.36 3hkx s TYR 135 Ca 0.49 -0.81 0.00 0.00 -2.44 0.00 0.00 57.07 54.31 3hkx s TYR 135 Cb -0.27 -2.27 0.00 0.00 0.35 0.00 0.00 41.96 39.77 3hkx s TYR 135 CO 0.35 -0.52 0.00 0.41 -1.34 0.00 0.00 175.55 174.45 3hkx n GLY 136 N 4.90 -2.14 0.18 8.97 0.00 -1.26 -3.96 105.19 111.87 3hkx n GLY 136 Ca -0.15 -1.45 0.01 0.00 0.00 0.00 0.00 46.02 44.43 3hkx n GLY 136 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hkx h PRO 137 N -0.15 0.05 -0.10 1.61 0.13 -1.98 -1.97 132.00 129.58 3hkx h PRO 137 Ca -0.01 -0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 3hkx h PRO 137 Cb 0.15 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.28 3hkx h PRO 137 CO 0.01 0.47 -0.09 0.93 -0.23 0.00 0.00 178.00 179.09 3hkx h GLU 138 N 0.04 0.24 -0.54 0.86 3.07 -1.99 -0.55 114.58 115.71 3hkx h GLU 138 Ca 0.00 -0.13 0.02 0.00 -0.50 0.00 0.00 59.36 58.76 3hkx h GLU 138 Cb 0.78 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.66 3hkx h GLU 138 CO 0.06 0.65 0.33 0.93 -1.40 0.00 0.00 179.01 179.58 3hkx h GLU 139 N -0.16 0.64 0.00 2.33 5.08 -1.67 -1.92 114.58 118.88 3hkx h GLU 139 Ca 0.02 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3hkx h GLU 139 Cb 0.61 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3hkx h GLU 139 CO 0.02 0.42 -0.19 0.87 -1.00 0.00 0.00 179.01 179.14 3hkx h LYS 140 N 0.66 0.00 0.00 2.33 1.57 -1.26 -1.63 116.57 118.24 3hkx h LYS 140 Ca 0.22 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.81 3hkx h LYS 140 Cb 0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3hkx h LYS 140 CO -0.09 0.19 -0.85 0.00 -0.57 0.00 0.00 179.45 178.13 3hkx h ALA 141 N 1.81 0.60 0.00 3.86 0.00 -0.90 -3.37 119.26 121.26 3hkx h ALA 141 Ca -0.00 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3hkx h ALA 141 Cb 0.46 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3hkx h ALA 141 CO 0.02 0.99 -1.33 0.00 0.00 0.00 0.00 179.25 178.94 3hkx n ALA 142 N -2.41 3.69 -2.53 0.00 0.00 -0.74 -4.98 120.51 113.54 3hkx n ALA 142 Ca -0.02 -0.51 -0.09 0.00 0.00 0.00 0.00 53.44 52.83 3hkx n ALA 142 Cb 0.80 -0.83 -0.09 0.00 0.00 0.00 0.00 19.45 19.32 3hkx n ALA 142 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hkx s PHE 143 N -3.23 0.30 -0.16 0.00 0.08 -0.68 -4.71 117.98 109.58 3hkx s PHE 143 Ca 0.01 -0.69 -0.14 0.00 0.12 0.00 0.00 56.93 56.24 3hkx s PHE 143 Cb 0.15 -0.21 -0.05 0.00 -0.57 0.00 0.00 43.02 42.34 3hkx s PHE 143 CO 0.86 -0.38 0.29 0.08 -0.10 0.00 0.00 175.22 175.97 3hkx s VAL 144 N -3.08 5.31 0.47 -0.44 1.01 -0.47 -4.63 120.40 118.56 3hkx s VAL 144 Ca -0.01 0.54 -0.24 0.00 0.00 0.00 0.00 61.98 62.27 3hkx s VAL 144 Cb 0.02 -3.63 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 3hkx s VAL 144 CO -0.07 0.39 1.38 -2.84 0.00 0.00 0.00 175.10 173.96 3hkx s PRO 145 N 0.46 3.60 0.78 2.72 0.02 -1.26 -3.98 135.00 137.33 3hkx s PRO 145 Ca 0.16 2.30 -0.11 0.00 0.02 0.00 0.00 61.00 63.38 3hkx s PRO 145 Cb -0.13 -2.56 0.06 0.00 0.02 0.00 0.00 34.50 31.89 3hkx s PRO 145 CO 0.04 -0.84 1.09 0.20 -0.33 0.00 0.00 177.00 177.16 3hkx s GLY 146 N -0.69 1.67 0.00 0.52 0.00 0.83 -4.96 107.32 104.69 3hkx s GLY 146 Ca 0.63 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.59 3hkx s GLY 146 CO 0.52 0.60 0.64 1.18 0.00 0.00 0.00 173.10 176.03 3hkx n GLU 147 N -3.53 0.77 -4.39 2.90 -0.58 -1.26 -4.55 120.64 109.99 3hkx n GLU 147 Ca 0.09 -0.83 -0.29 0.00 -0.42 0.00 0.00 57.16 55.71 3hkx n GLU 147 Cb 0.53 -0.89 -0.12 0.00 -0.57 0.00 0.00 31.44 30.39 3hkx n GLU 147 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3hkx s GLN 148 N -0.39 1.67 0.79 3.49 -1.52 -1.26 -5.12 119.66 117.32 3hkx s GLN 148 Ca 0.00 -1.22 -0.11 0.00 -1.95 0.00 0.00 55.36 52.08 3hkx s GLN 148 Cb 0.00 -2.03 0.07 0.00 -0.22 0.00 0.00 33.01 30.83 3hkx s GLN 148 CO 0.00 0.48 1.10 -1.25 -0.25 0.00 0.00 175.29 175.36 3hkx s PRO 149 N -2.01 2.07 0.39 2.91 0.04 -1.26 -4.88 135.00 132.25 3hkx s PRO 149 Ca 0.16 1.17 -0.27 0.00 0.04 0.00 0.00 61.00 62.10 3hkx s PRO 149 Cb -0.10 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 3hkx s PRO 149 CO 0.08 -1.78 1.34 -2.14 0.04 0.00 0.00 177.00 174.54 3hkx s PRO 150 N -4.89 4.07 0.55 0.56 0.02 -1.26 -4.99 135.00 129.06 3hkx s PRO 150 Ca 0.62 2.26 -0.17 0.00 0.02 0.00 0.00 61.00 63.73 3hkx s PRO 150 Cb -0.18 -2.87 -0.06 0.00 0.02 0.00 0.00 34.50 31.42 3hkx s PRO 150 CO 0.56 -0.45 1.03 -1.25 -0.33 0.00 0.00 177.00 176.57 3hkx s PRO 151 N -2.12 3.61 -0.03 5.54 0.04 -1.26 -4.83 135.00 135.95 3hkx s PRO 151 Ca 0.54 1.18 0.01 0.00 0.04 0.00 0.00 61.00 62.78 3hkx s PRO 151 Cb -0.40 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.08 3hkx s PRO 151 CO 0.53 -0.57 -0.05 0.08 0.04 0.00 0.00 177.00 177.02 3hkx s VAL 152 N -2.38 0.54 -0.04 -0.36 1.01 -1.26 -3.91 120.40 114.01 3hkx s VAL 152 Ca 0.63 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.30 3hkx s VAL 152 Cb -0.14 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.73 3hkx s VAL 152 CO 0.31 0.21 0.31 -1.48 0.00 0.00 0.00 175.10 174.45 3hkx s LEU 153 N 0.61 0.83 0.07 3.92 2.34 0.17 -4.94 118.68 121.70 3hkx s LEU 153 Ca -0.08 0.20 -0.31 0.00 0.06 0.00 0.00 54.13 54.00 3hkx s LEU 153 Cb -0.11 1.24 -0.07 0.00 -0.56 0.00 0.00 46.19 46.68 3hkx s LEU 153 CO 0.00 -0.38 1.40 -0.44 -1.06 0.00 0.00 176.35 175.87 3hkx s SER 154 N -1.03 6.83 -0.21 1.48 0.01 -1.26 -0.37 113.70 119.15 3hkx s SER 154 Ca -0.11 2.25 -0.11 0.00 1.31 0.00 0.00 55.95 59.29 3hkx s SER 154 Cb -0.05 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.68 3hkx s SER 154 CO 0.03 -0.68 0.50 0.86 0.41 0.00 0.00 173.24 174.37 3hkx s TRP 155 N 1.61 -0.79 -2.01 2.43 -0.00 -0.12 -4.93 118.94 115.14 3hkx s TRP 155 Ca 0.65 1.60 0.00 0.00 -0.00 0.00 0.00 56.10 58.35 3hkx s TRP 155 Cb -0.35 0.40 0.00 0.00 -0.00 0.00 0.00 33.47 33.52 3hkx s TRP 155 CO 0.29 -0.43 0.00 0.41 -0.00 0.00 0.00 176.95 177.22 3hkx n GLY 156 N 4.47 1.13 0.00 5.86 0.00 -1.26 -2.37 105.19 113.03 3hkx n GLY 156 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3hkx n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkx n GLY 157 N -0.58 0.48 3.26 -0.02 0.00 -1.26 -4.87 105.19 102.20 3hkx n GLY 157 Ca -0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 3hkx n GLY 157 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hkx n ARG 158 N -1.94 0.58 -3.35 1.61 1.85 -1.00 -5.13 116.66 109.28 3hkx n ARG 158 Ca 0.00 -2.97 -0.39 0.00 -1.00 0.00 0.00 57.85 53.49 3hkx n ARG 158 Cb 0.00 2.67 -0.09 0.00 -1.05 0.00 0.00 32.46 34.00 3hkx n ARG 158 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 3hkx s GLN 159 N -3.00 3.99 0.06 2.89 -1.52 -1.26 -0.95 119.66 119.86 3hkx s GLN 159 Ca 0.33 0.07 -0.00 0.00 -1.95 0.00 0.00 55.36 53.81 3hkx s GLN 159 Cb 0.00 -3.67 -0.04 0.00 -0.22 0.00 0.00 33.01 29.08 3hkx s GLN 159 CO 0.23 -0.32 0.21 -0.51 -0.25 0.00 0.00 175.29 174.65 3hkx s LEU 160 N 2.14 4.36 0.25 2.90 1.02 0.50 -0.59 118.68 129.27 3hkx s LEU 160 Ca 0.16 0.27 0.02 0.00 0.02 0.00 0.00 54.13 54.61 3hkx s LEU 160 Cb -0.16 -2.96 -0.04 0.00 0.02 0.00 0.00 46.19 43.06 3hkx s LEU 160 CO 0.10 0.17 0.19 -0.55 0.02 0.00 0.00 176.35 176.28 3hkx s SER 161 N -2.51 0.77 -0.01 2.29 0.15 -0.30 -0.65 113.70 113.43 3hkx s SER 161 Ca 0.35 -1.54 0.03 0.00 0.70 0.00 0.00 55.95 55.50 3hkx s SER 161 Cb -0.13 0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.63 3hkx s SER 161 CO 0.28 -0.93 -0.11 -0.76 1.20 0.00 0.00 173.24 172.92 3hkx s LEU 162 N -3.25 2.00 0.23 3.45 1.43 -1.25 -1.30 118.68 120.00 3hkx s LEU 162 Ca 0.40 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 3hkx s LEU 162 Cb 0.05 -0.58 -0.03 0.00 0.03 0.00 0.00 46.19 45.66 3hkx s LEU 162 CO 0.18 0.13 0.22 -0.76 0.23 0.00 0.00 176.35 176.35 3hkx s LEU 163 N -0.21 1.12 -0.09 1.79 1.43 -0.93 -4.59 118.68 117.19 3hkx s LEU 163 Ca 0.03 -1.39 0.01 0.00 -1.03 0.00 0.00 54.13 51.75 3hkx s LEU 163 Cb -0.05 0.66 0.02 0.00 0.03 0.00 0.00 46.19 46.86 3hkx s LEU 163 CO -0.00 -0.94 -0.09 -0.69 0.23 0.00 0.00 176.35 174.86 3hkx s VAL 164 N -3.97 1.03 0.00 -1.59 1.01 -1.26 -3.78 120.40 111.84 3hkx s VAL 164 Ca 0.36 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3hkx s VAL 164 Cb 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.42 3hkx s VAL 164 CO 0.14 0.35 0.00 0.00 0.00 0.00 0.00 175.10 175.60 3hkx h TYR 166 N 0.00 0.10 -0.91 0.00 3.20 -1.92 -1.02 116.97 116.43 3hkx h TYR 166 Ca 0.00 0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.09 3hkx h TYR 166 Cb 0.00 -0.03 -0.17 0.00 1.54 0.00 0.00 36.73 38.07 3hkx h TYR 166 CO 0.00 0.01 -0.08 -0.44 -1.64 0.00 0.00 178.16 176.02 3hkx h ASP 167 N 0.07 -0.59 0.51 -2.11 3.32 -1.38 -1.14 116.42 115.09 3hkx h ASP 167 Ca 0.49 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.80 3hkx h ASP 167 Cb 1.84 0.49 0.00 0.00 0.22 0.00 0.00 39.33 41.87 3hkx h ASP 167 CO -0.05 -0.29 0.00 1.62 -1.72 0.00 0.00 179.24 178.80 3hkx h VAL 168 N 0.03 0.00 0.00 -1.35 3.04 -1.38 -1.91 116.25 114.68 3hkx h VAL 168 Ca 0.50 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.97 3hkx h VAL 168 Cb 0.90 1.05 0.00 0.00 -2.01 0.00 0.00 31.29 31.23 3hkx h VAL 168 CO -0.87 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 175.07 3hkx n GLU 169 N -2.71 0.05 -3.48 4.17 1.02 -0.43 -4.58 120.64 114.69 3hkx n GLU 169 Ca -0.00 0.11 -0.40 0.00 -0.02 0.00 0.00 57.16 56.84 3hkx n GLU 169 Cb 0.18 -1.56 -0.10 0.00 -0.02 0.00 0.00 31.44 29.93 3hkx n GLU 169 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3hkx s PHE 170 N -3.03 3.22 0.49 -0.32 0.08 -0.72 -4.97 117.98 112.73 3hkx s PHE 170 Ca 0.12 -0.08 0.19 0.00 0.12 0.00 0.00 56.93 57.28 3hkx s PHE 170 Cb 0.16 -2.55 1.23 0.00 -0.57 0.00 0.00 43.02 41.28 3hkx s PHE 170 CO 0.48 -0.37 2.01 -1.00 -0.10 0.00 0.00 175.22 176.24 3hkx h PRO 171 N 8.45 0.16 -0.92 0.24 0.13 -1.85 -1.76 132.00 136.45 3hkx h PRO 171 Ca -0.31 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 64.90 3hkx h PRO 171 Cb 1.15 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.18 3hkx h PRO 171 CO 0.65 0.11 0.59 0.93 -0.23 0.00 0.00 178.00 180.05 3hkx h GLU 172 N 0.16 0.94 -0.25 0.86 3.07 -1.93 -0.31 114.58 117.12 3hkx h GLU 172 Ca 0.22 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 58.93 3hkx h GLU 172 Cb 0.66 -0.21 -0.00 0.00 -0.84 0.00 0.00 28.75 28.36 3hkx h GLU 172 CO -0.03 0.62 -0.22 0.52 -1.40 0.00 0.00 179.01 178.50 3hkx h MET 173 N 0.97 0.59 -0.47 2.33 2.86 -1.56 0.11 114.93 119.76 3hkx h MET 173 Ca 0.42 -0.30 -0.12 0.00 -2.06 0.00 0.00 59.70 57.64 3hkx h MET 173 Cb 0.33 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3hkx h MET 173 CO -0.18 0.89 -0.18 0.28 1.06 0.00 0.00 176.91 178.78 3hkx h VAL 174 N 0.30 1.27 -0.62 -2.22 2.07 -1.53 -2.62 116.25 112.90 3hkx h VAL 174 Ca 0.04 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.19 3hkx h VAL 174 Cb 0.76 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3hkx h VAL 174 CO 0.06 0.46 0.19 -0.09 0.02 0.00 0.00 177.57 178.20 3hkx h ARG 175 N 0.82 0.94 -0.82 1.57 9.65 -0.97 -0.64 114.38 124.93 3hkx h ARG 175 Ca 0.12 -0.18 0.04 0.00 -1.10 0.00 0.00 59.98 58.85 3hkx h ARG 175 Cb 0.73 -0.15 -0.05 0.00 -1.39 0.00 0.00 29.97 29.11 3hkx h ARG 175 CO 0.06 0.81 0.52 0.00 2.80 0.00 0.00 179.97 184.16 3hkx h ALA 176 N 1.30 1.08 -0.07 2.80 0.00 -0.77 0.27 119.26 123.88 3hkx h ALA 176 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hkx h ALA 176 Cb 0.26 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hkx h ALA 176 CO -0.01 0.33 -0.02 0.00 0.00 0.00 0.00 179.25 179.55 3hkx h ALA 177 N 1.35 0.09 -0.33 0.00 0.00 -0.99 -3.09 119.26 116.30 3hkx h ALA 177 Ca 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3hkx h ALA 177 Cb 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hkx h ALA 177 CO -0.12 -0.18 0.13 0.00 0.00 0.00 0.00 179.25 179.08 3hkx h ALA 178 N 0.65 1.63 0.00 0.00 0.00 -0.76 -1.36 119.26 119.41 3hkx h ALA 178 Ca 0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3hkx h ALA 178 Cb 0.43 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3hkx h ALA 178 CO 0.01 0.30 -0.18 0.00 0.00 0.00 0.00 179.25 179.38 3hkx h ALA 179 N 1.70 1.36 -0.17 0.00 0.00 -0.45 -1.47 119.26 120.24 3hkx h ALA 179 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hkx h ALA 179 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hkx h ALA 179 CO -0.01 0.22 0.00 0.54 0.00 0.00 0.00 179.25 180.00 3hkx n ARG 180 N -3.83 1.75 0.00 0.00 1.74 -0.57 -4.92 116.66 110.83 3hkx n ARG 180 Ca -0.02 -1.13 0.00 0.00 -0.77 0.00 0.00 57.85 55.93 3hkx n ARG 180 Cb 0.28 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3hkx n ARG 180 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hkx n GLY 181 N 1.15 0.66 3.73 -0.13 0.00 -0.55 -4.89 105.19 105.16 3hkx n GLY 181 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3hkx n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkx n ALA 182 N -1.56 2.04 -0.02 4.61 0.00 -0.85 -4.68 120.51 120.04 3hkx n ALA 182 Ca 0.00 0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.80 3hkx n ALA 182 Cb 0.00 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.02 3hkx n ALA 182 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hkx n GLN 183 N 1.55 2.49 -3.75 0.00 6.02 0.24 -4.56 117.38 119.37 3hkx n GLN 183 Ca 0.07 -0.01 -0.25 0.00 -0.01 0.00 0.00 57.00 56.80 3hkx n GLN 183 Cb 0.36 -1.14 -0.17 0.00 1.02 0.00 0.00 30.24 30.30 3hkx n GLN 183 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3hkx s LEU 184 N -4.21 0.80 -0.18 1.08 2.96 -0.70 -1.55 118.68 116.87 3hkx s LEU 184 Ca -0.03 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 53.45 3hkx s LEU 184 Cb 0.02 -0.49 -0.02 0.00 0.50 0.00 0.00 46.19 46.21 3hkx s LEU 184 CO 0.23 -0.25 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.27 3hkx s VAL 185 N 1.94 3.52 -0.16 1.68 1.01 -0.25 -1.15 120.40 126.99 3hkx s VAL 185 Ca 0.03 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.49 3hkx s VAL 185 Cb -0.14 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 3hkx s VAL 185 CO -0.07 0.46 -0.01 -0.76 0.00 0.00 0.00 175.10 174.72 3hkx s LEU 186 N 0.89 3.37 -0.32 3.92 1.43 -0.42 -1.04 118.68 126.51 3hkx s LEU 186 Ca -0.01 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3hkx s LEU 186 Cb -0.15 -1.82 0.11 0.00 0.03 0.00 0.00 46.19 44.36 3hkx s LEU 186 CO 0.01 0.17 0.13 -0.69 0.23 0.00 0.00 176.35 176.19 3hkx s VAL 187 N 0.39 0.64 0.33 -1.59 1.01 0.03 -2.19 120.40 119.02 3hkx s VAL 187 Ca -0.02 -1.38 -0.29 0.00 0.00 0.00 0.00 61.98 60.28 3hkx s VAL 187 Cb -0.14 -1.49 -0.11 0.00 0.00 0.00 0.00 36.38 34.64 3hkx s VAL 187 CO 0.02 -0.74 1.55 -2.84 0.00 0.00 0.00 175.10 173.10 3hkx s PRO 188 N 1.57 4.11 0.28 2.72 0.02 -1.25 -2.10 135.00 140.34 3hkx s PRO 188 Ca 0.11 2.59 -0.00 0.00 0.02 0.00 0.00 61.00 63.71 3hkx s PRO 188 Cb -0.18 -3.00 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 3hkx s PRO 188 CO -0.24 -0.60 0.29 -0.08 -0.33 0.00 0.00 177.00 176.05 3hkx s THR 189 N -0.51 0.00 -0.46 0.99 -1.32 -0.51 -1.24 115.64 112.59 3hkx s THR 189 Ca 0.59 -1.84 0.06 0.00 -1.21 0.00 0.00 61.69 59.29 3hkx s THR 189 Cb -0.47 -2.50 0.18 0.00 -1.51 0.00 0.00 72.50 68.20 3hkx s THR 189 CO 0.55 0.00 0.59 0.00 -2.21 0.00 0.00 174.62 173.56 3hkx s ALA 190 N -3.68 -1.30 -0.27 11.08 0.00 -1.26 -1.54 121.76 124.78 3hkx s ALA 190 Ca 0.36 -0.75 -0.05 0.00 0.00 0.00 0.00 51.96 51.52 3hkx s ALA 190 Cb 0.03 -2.43 0.01 0.00 0.00 0.00 0.00 23.12 20.73 3hkx s ALA 190 CO 0.18 -2.18 0.02 -1.17 0.00 0.00 0.00 175.76 172.61 3hkx s LEU 191 N 0.97 3.47 0.32 0.00 2.96 -1.26 -5.01 118.68 120.12 3hkx s LEU 191 Ca 0.26 -0.69 0.08 0.00 -0.22 0.00 0.00 54.13 53.57 3hkx s LEU 191 Cb -0.02 -1.79 -0.06 0.00 0.50 0.00 0.00 46.19 44.82 3hkx s LEU 191 CO -0.08 -0.14 -0.08 0.00 -1.32 0.00 0.00 176.35 174.73 3hkx s ALA 192 N 1.45 2.72 0.00 5.97 0.00 -1.26 -1.90 121.76 128.73 3hkx s ALA 192 Ca 0.02 -2.02 0.00 0.00 0.00 0.00 0.00 51.96 49.97 3hkx s ALA 192 Cb -0.16 0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.99 3hkx s ALA 192 CO -0.01 0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.19 3hkx n GLY 193 N -0.71 0.90 3.58 0.00 0.00 -1.00 -4.24 105.19 103.72 3hkx n GLY 193 Ca -0.05 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 3hkx n GLY 193 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hkx n ASP 194 N 1.07 -2.65 -3.82 1.61 2.03 -1.26 -4.88 116.55 108.65 3hkx n ASP 194 Ca 0.00 -0.68 -0.42 0.00 0.52 0.00 0.00 54.79 54.21 3hkx n ASP 194 Cb 0.13 -4.69 0.00 0.00 -0.72 0.00 0.00 41.12 35.84 3hkx n ASP 194 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3hkx n GLU 195 N -4.35 3.08 0.22 -0.67 -0.58 -1.26 -4.78 120.64 112.30 3hkx n GLU 195 Ca -0.22 -2.90 0.15 0.00 -0.42 0.00 0.00 57.16 53.77 3hkx n GLU 195 Cb 0.64 -3.20 0.81 0.00 -0.57 0.00 0.00 31.44 29.12 3hkx n GLU 195 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3hkx h THR 196 N 4.02 0.61 0.00 2.62 1.35 -1.97 -2.41 112.91 117.13 3hkx h THR 196 Ca 0.51 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.36 3hkx h THR 196 Cb 0.65 0.91 -0.00 0.00 -1.73 0.00 0.00 68.15 67.98 3hkx h THR 196 CO 1.79 0.00 -0.05 0.77 -0.25 0.00 0.00 175.52 177.78 3hkx h SER 197 N 0.00 0.00 0.31 5.36 4.64 -1.95 0.20 113.55 122.11 3hkx h SER 197 Ca 0.06 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.37 3hkx h SER 197 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3hkx h SER 197 CO -0.00 0.05 -0.15 0.58 -0.87 0.00 0.00 176.83 176.44 3hkx h VAL 198 N 0.00 0.00 0.00 0.95 2.07 -1.83 0.85 116.25 118.29 3hkx h VAL 198 Ca -0.00 -0.23 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 3hkx h VAL 198 Cb 0.58 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3hkx h VAL 198 CO 0.01 0.00 -0.35 1.55 0.02 0.00 0.00 177.57 178.80 3hkx h PRO 199 N -0.64 0.00 0.10 1.57 0.13 -1.75 0.08 132.00 131.48 3hkx h PRO 199 Ca -0.04 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.81 3hkx h PRO 199 Cb 0.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 3hkx h PRO 199 CO 0.07 0.35 -1.36 0.78 -0.23 0.00 0.00 178.00 177.61 3hkx h GLY 200 N 1.43 0.23 0.00 1.56 0.00 -1.01 -3.40 103.07 101.88 3hkx h GLY 200 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 3hkx h GLY 200 CO 0.05 0.52 -1.03 1.39 0.00 0.00 0.00 176.54 177.46 3hkx n ILE 201 N -3.44 0.03 -0.03 2.60 5.41 -0.03 -4.75 119.36 119.15 3hkx n ILE 201 Ca -0.11 -0.01 -0.15 0.00 1.00 0.00 0.00 62.75 63.48 3hkx n ILE 201 Cb 1.02 -1.48 -0.09 0.00 -0.71 0.00 0.00 39.64 38.38 3hkx n ILE 201 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3hkx h LEU 202 N -0.02 0.42 -0.51 1.39 3.38 -0.48 -3.18 115.31 116.31 3hkx h LEU 202 Ca -0.01 -0.64 0.01 0.00 0.09 0.00 0.00 57.88 57.33 3hkx h LEU 202 Cb 1.01 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 3hkx h LEU 202 CO -0.01 0.98 0.32 -0.07 0.09 0.00 0.00 178.44 179.76 3hkx h LEU 203 N -0.13 0.55 -1.32 1.67 3.38 -1.20 -1.01 115.31 117.26 3hkx h LEU 203 Ca -0.02 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3hkx h LEU 203 Cb 0.96 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 3hkx h LEU 203 CO 0.07 0.39 0.49 -0.65 0.09 0.00 0.00 178.44 178.83 3hkx h PRO 204 N 0.66 0.84 -0.35 1.13 0.11 -1.77 -2.19 132.00 130.43 3hkx h PRO 204 Ca 0.19 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.08 3hkx h PRO 204 Cb -0.04 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 30.88 3hkx h PRO 204 CO -0.06 0.55 -0.44 0.00 -0.21 0.00 0.00 178.00 177.84 3hkx h ALA 205 N 1.58 0.55 -0.72 -0.75 0.00 -1.34 -1.65 119.26 116.92 3hkx h ALA 205 Ca 0.31 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3hkx h ALA 205 Cb 0.14 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3hkx h ALA 205 CO -0.10 0.68 0.48 0.00 0.00 0.00 0.00 179.25 180.31 3hkx h ARG 206 N 0.73 0.85 0.07 0.00 2.47 -0.73 0.19 114.38 117.96 3hkx h ARG 206 Ca 0.04 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3hkx h ARG 206 Cb 1.04 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.17 3hkx h ARG 206 CO 0.10 0.56 -0.04 0.00 0.56 0.00 0.00 179.97 181.16 3hkx h ALA 207 N 1.58 -0.10 -0.29 0.04 0.00 -1.29 -3.13 119.26 116.07 3hkx h ALA 207 Ca 0.29 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hkx h ALA 207 Cb 0.06 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hkx h ALA 207 CO -0.08 -0.29 0.15 0.28 0.00 0.00 0.00 179.25 179.31 3hkx h VAL 208 N -0.64 1.14 0.00 0.00 2.07 -1.03 0.21 116.25 118.00 3hkx h VAL 208 Ca -0.01 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.13 3hkx h VAL 208 Cb 0.53 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3hkx h VAL 208 CO 0.02 0.14 0.00 -1.84 0.02 0.00 0.00 177.57 175.91 3hkx n GLU 209 N -4.81 0.13 0.00 1.57 0.28 0.64 -2.31 120.64 116.14 3hkx n GLU 209 Ca -0.02 0.33 0.02 0.00 -0.16 0.00 0.00 57.16 57.34 3hkx n GLU 209 Cb 0.09 -1.73 -0.02 0.00 1.43 0.00 0.00 31.44 31.21 3hkx n GLU 209 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3hkx n ASN 210 N -1.97 0.43 -3.08 -1.84 3.02 -1.17 -4.72 115.26 105.93 3hkx n ASN 210 Ca 0.03 -0.72 -0.17 0.00 -0.03 0.00 0.00 54.58 53.70 3hkx n ASN 210 Cb 0.23 0.82 0.07 0.00 -0.61 0.00 0.00 39.78 40.30 3hkx n ASN 210 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hkx n GLY 211 N 0.97 -0.27 3.38 7.41 0.00 0.62 -4.86 105.19 112.44 3hkx n GLY 211 Ca 0.01 0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 3hkx n GLY 211 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hkx s ILE 212 N -3.29 0.82 -0.09 -0.61 -4.36 -0.60 -4.84 121.20 108.23 3hkx s ILE 212 Ca 0.20 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.57 3hkx s ILE 212 Cb -0.09 -2.69 -0.03 0.00 1.25 0.00 0.00 42.46 40.90 3hkx s ILE 212 CO 0.62 0.00 0.00 -0.89 0.24 0.00 0.00 174.94 174.91 3hkx s THR 213 N -3.53 4.30 0.07 8.37 2.01 -0.60 -3.01 115.64 123.25 3hkx s THR 213 Ca 0.37 -0.25 0.07 0.00 0.31 0.00 0.00 61.69 62.19 3hkx s THR 213 Cb 0.08 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 3hkx s THR 213 CO 0.15 0.59 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.71 3hkx s LEU 214 N -0.76 2.23 -0.02 4.42 1.02 -0.47 -1.09 118.68 124.01 3hkx s LEU 214 Ca 0.12 -0.60 0.05 0.00 0.02 0.00 0.00 54.13 53.72 3hkx s LEU 214 Cb -0.12 -0.89 -0.01 0.00 0.02 0.00 0.00 46.19 45.20 3hkx s LEU 214 CO 0.02 0.09 -0.17 0.00 0.02 0.00 0.00 176.35 176.32 3hkx s ALA 215 N -0.99 1.46 -0.13 4.21 0.00 -0.20 -1.05 121.76 125.06 3hkx s ALA 215 Ca 0.06 -0.72 -0.02 0.00 0.00 0.00 0.00 51.96 51.28 3hkx s ALA 215 Cb -0.09 -0.42 0.04 0.00 0.00 0.00 0.00 23.12 22.65 3hkx s ALA 215 CO 0.03 0.32 0.01 -0.47 0.00 0.00 0.00 175.76 175.65 3hkx s TYR 216 N -0.23 0.89 -0.23 0.00 5.04 -0.15 -0.79 117.35 121.88 3hkx s TYR 216 Ca 0.03 -0.54 -0.00 0.00 -2.44 0.00 0.00 57.07 54.11 3hkx s TYR 216 Cb -0.09 -0.94 0.03 0.00 0.35 0.00 0.00 41.96 41.32 3hkx s TYR 216 CO 0.00 -0.48 -0.11 0.00 -1.34 0.00 0.00 175.55 173.63 3hkx s ALA 217 N 1.90 2.58 0.25 3.97 0.00 -0.89 -1.61 121.76 127.96 3hkx s ALA 217 Ca 0.02 -1.43 0.08 0.00 0.00 0.00 0.00 51.96 50.62 3hkx s ALA 217 Cb -0.15 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.40 3hkx s ALA 217 CO -0.07 -0.73 0.13 1.21 0.00 0.00 0.00 175.76 176.30 3hkx s ASN 218 N 1.29 5.24 1.14 0.00 2.47 -1.26 -1.43 114.94 122.38 3hkx s ASN 218 Ca 0.00 -0.36 -0.13 0.00 0.42 0.00 0.00 52.86 52.80 3hkx s ASN 218 Cb -0.16 -1.24 0.27 0.00 -1.45 0.00 0.00 41.25 38.67 3hkx s ASN 218 CO -0.07 -0.02 1.04 -1.00 -3.72 0.00 0.00 177.10 173.33 3hkx s HIS 219 N -2.16 1.45 -0.05 0.43 3.76 -1.25 -3.69 115.29 113.78 3hkx s HIS 219 Ca 0.32 1.17 -0.13 0.00 -0.15 0.00 0.00 55.06 56.28 3hkx s HIS 219 Cb -0.08 -3.13 0.02 0.00 1.11 0.00 0.00 32.58 30.51 3hkx s HIS 219 CO 0.23 -3.74 0.30 0.00 -0.85 0.00 0.00 174.74 170.68 3hkx n GLY 221 N 1.86 -1.20 3.77 0.00 0.00 -0.27 -3.63 105.19 105.72 3hkx n GLY 221 Ca -0.19 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.28 3hkx n GLY 221 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3hkx s PRO 222 N 0.00 4.19 -0.29 1.61 0.02 -1.25 0.27 135.00 139.54 3hkx s PRO 222 Ca 0.00 2.39 -0.16 0.00 0.02 0.00 0.00 61.00 63.26 3hkx s PRO 222 Cb 0.00 -2.99 0.15 0.00 0.02 0.00 0.00 34.50 31.68 3hkx s PRO 222 CO 0.00 -0.40 0.96 -2.00 -0.33 0.00 0.00 177.00 175.23 3hkx s GLU 223 N -1.99 0.38 -1.43 5.54 2.12 -0.17 -4.87 118.70 118.28 3hkx s GLU 223 Ca 0.52 0.70 -0.08 0.00 0.36 0.00 0.00 54.97 56.47 3hkx s GLU 223 Cb -0.43 0.15 0.04 0.00 0.26 0.00 0.00 34.13 34.15 3hkx s GLU 223 CO 0.58 -0.09 0.63 0.41 -0.54 0.00 0.00 175.26 176.25 3hkx n GLY 224 N 3.95 -0.51 1.26 -1.50 0.00 -1.26 -1.70 105.19 105.43 3hkx n GLY 224 Ca -0.17 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3hkx n GLY 224 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkx n GLY 225 N -1.42 1.14 3.67 -0.02 0.00 -1.26 -4.97 105.19 102.33 3hkx n GLY 225 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 3hkx n GLY 225 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hkx s LEU 226 N 0.00 3.00 -0.21 0.99 1.43 -0.69 -5.12 118.68 118.08 3hkx s LEU 226 Ca 0.00 -1.15 0.01 0.00 -1.03 0.00 0.00 54.13 51.96 3hkx s LEU 226 Cb 0.00 -1.23 0.04 0.00 0.03 0.00 0.00 46.19 45.03 3hkx s LEU 226 CO 0.00 -0.43 -0.12 -0.69 0.23 0.00 0.00 176.35 175.34 3hkx s VAL 227 N -2.62 1.82 0.24 -1.59 1.01 -1.26 -0.99 120.40 117.01 3hkx s VAL 227 Ca 0.37 -1.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.01 3hkx s VAL 227 Cb 0.05 -1.86 -0.09 0.00 0.00 0.00 0.00 36.38 34.48 3hkx s VAL 227 CO 0.20 0.19 0.78 -0.36 0.00 0.00 0.00 175.10 175.91 3hkx s PHE 228 N 1.32 3.69 -0.09 5.22 0.08 0.75 -2.36 117.98 126.59 3hkx s PHE 228 Ca -0.02 1.51 0.29 0.00 0.12 0.00 0.00 56.93 58.83 3hkx s PHE 228 Cb -0.16 -2.71 0.95 0.00 -0.57 0.00 0.00 43.02 40.53 3hkx s PHE 228 CO -0.08 0.33 1.83 -0.44 -0.10 0.00 0.00 175.22 176.75 3hkx h ASP 229 N 3.46 0.00 0.00 1.36 3.32 -1.55 -0.71 116.42 122.30 3hkx h ASP 229 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3hkx h ASP 229 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3hkx h ASP 229 CO 0.65 0.03 0.00 0.61 -1.72 0.00 0.00 179.24 178.81 3hkx n GLY 230 N 0.44 3.35 2.24 2.75 0.00 -0.77 -4.36 105.19 108.84 3hkx n GLY 230 Ca 0.02 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 3hkx n GLY 230 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkx n GLY 231 N 0.00 0.67 3.63 -0.02 0.00 -0.04 -4.76 105.19 104.67 3hkx n GLY 231 Ca 0.00 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 3hkx n GLY 231 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hkx n SER 232 N 0.33 1.59 -3.54 1.61 7.64 -1.26 -4.70 113.62 115.30 3hkx n SER 232 Ca -0.10 1.07 -0.18 0.00 1.01 0.00 0.00 58.87 60.67 3hkx n SER 232 Cb 0.42 -1.38 -0.06 0.00 -1.01 0.00 0.00 64.21 62.18 3hkx n SER 232 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hkx s VAL 233 N -1.23 0.00 -0.19 0.44 0.11 -0.64 -0.97 120.40 117.92 3hkx s VAL 233 Ca 0.62 -0.03 -0.01 0.00 -2.93 0.00 0.00 61.98 59.63 3hkx s VAL 233 Cb -0.56 -0.98 0.01 0.00 -1.53 0.00 0.00 36.38 33.32 3hkx s VAL 233 CO 0.58 -0.01 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.51 3hkx s VAL 234 N -1.14 2.66 -0.14 2.04 1.01 -0.86 -0.97 120.40 123.01 3hkx s VAL 234 Ca -0.11 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 3hkx s VAL 234 Cb -0.00 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 3hkx s VAL 234 CO 0.09 0.49 -0.09 -0.69 0.00 0.00 0.00 175.10 174.90 3hkx s VAL 235 N 1.26 3.41 0.82 2.92 1.01 -0.22 -0.12 120.40 129.48 3hkx s VAL 235 Ca 0.03 -0.53 -0.06 0.00 0.00 0.00 0.00 61.98 61.41 3hkx s VAL 235 Cb -0.14 -2.46 0.16 0.00 0.00 0.00 0.00 36.38 33.94 3hkx s VAL 235 CO -0.07 0.51 1.13 -0.83 0.00 0.00 0.00 175.10 175.84 3hkx s GLY 236 N 0.31 1.77 0.36 4.51 0.00 -0.71 -1.37 107.32 112.19 3hkx s GLY 236 Ca -0.08 -1.58 0.27 0.00 0.00 0.00 0.00 44.72 43.33 3hkx s GLY 236 CO 0.04 -0.92 1.81 -0.56 0.00 0.00 0.00 173.10 173.47 3hkx h PRO 237 N -0.97 0.00 -0.11 2.90 0.13 -1.83 -0.04 132.00 132.09 3hkx h PRO 237 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3hkx h PRO 237 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3hkx h PRO 237 CO 0.38 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.15 3hkx n ALA 238 N -1.85 2.55 -0.83 -0.56 0.00 -1.26 -3.80 120.51 114.76 3hkx n ALA 238 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3hkx n ALA 238 Cb 0.17 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3hkx n ALA 238 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkx n GLY 239 N 1.05 0.67 3.88 0.00 0.00 -0.03 -4.90 105.19 105.86 3hkx n GLY 239 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3hkx n GLY 239 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hkx s GLN 240 N -0.17 3.35 0.07 1.61 -1.52 -1.26 -4.68 119.66 117.06 3hkx s GLN 240 Ca 0.00 -0.40 -0.31 0.00 -1.95 0.00 0.00 55.36 52.71 3hkx s GLN 240 Cb 0.00 -3.03 -0.06 0.00 -0.22 0.00 0.00 33.01 29.70 3hkx s GLN 240 CO 0.00 0.65 1.23 -2.14 -0.25 0.00 0.00 175.29 174.78 3hkx s PRO 241 N -2.06 4.41 0.21 2.91 0.02 -1.26 -1.74 135.00 137.49 3hkx s PRO 241 Ca 0.28 1.83 0.17 0.00 0.02 0.00 0.00 61.00 63.30 3hkx s PRO 241 Cb -0.13 -3.32 0.01 0.00 0.02 0.00 0.00 34.50 31.08 3hkx s PRO 241 CO 0.20 -0.29 1.22 -0.07 -0.33 0.00 0.00 177.00 177.74 3hkx h LEU 242 N 6.76 0.00 -7.00 -5.54 3.38 -0.88 -3.48 115.31 108.55 3hkx h LEU 242 Ca -0.42 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.64 3hkx h LEU 242 Cb 1.21 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.78 3hkx h LEU 242 CO 0.82 0.45 0.50 -0.83 0.09 0.00 0.00 178.44 179.47 3hkx s GLY 243 N -4.54 -0.41 0.02 0.83 0.00 -1.22 -4.97 107.32 97.04 3hkx s GLY 243 Ca 0.02 1.37 -0.28 0.00 0.00 0.00 0.00 44.72 45.83 3hkx s GLY 243 CO 0.77 0.60 0.64 -1.83 0.00 0.00 0.00 173.10 173.28 3hkx s GLU 244 N -2.34 1.12 0.28 2.90 -1.05 -1.26 -2.02 118.70 116.33 3hkx s GLU 244 Ca 0.02 -0.01 0.09 0.00 -0.15 0.00 0.00 54.97 54.92 3hkx s GLU 244 Cb -0.01 0.52 -0.04 0.00 -0.44 0.00 0.00 34.13 34.17 3hkx s GLU 244 CO -0.04 -0.40 0.07 -0.51 0.95 0.00 0.00 175.26 175.32 3hkx s LEU 245 N -1.74 3.32 0.00 1.83 1.43 -0.15 -5.01 118.68 118.36 3hkx s LEU 245 Ca -0.07 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.43 3hkx s LEU 245 Cb -0.00 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.38 3hkx s LEU 245 CO 0.02 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.13 3hkx n GLY 246 N -1.00 1.12 0.02 -3.19 0.00 -1.26 -3.53 105.19 97.34 3hkx n GLY 246 Ca -0.06 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.28 3hkx n GLY 246 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hkx n VAL 247 N 0.00 0.12 -2.76 1.61 0.24 -1.26 -0.86 118.33 115.42 3hkx n VAL 247 Ca 0.00 -0.11 -0.31 0.00 -2.04 0.00 0.00 64.34 61.88 3hkx n VAL 247 Cb 0.00 0.15 -0.03 0.00 -1.47 0.00 0.00 33.84 32.49 3hkx n VAL 247 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3hkx s GLU 248 N -3.07 3.80 0.63 7.34 0.41 -1.26 -4.32 118.70 122.23 3hkx s GLU 248 Ca 0.09 0.55 -0.18 0.00 -0.41 0.00 0.00 54.97 55.02 3hkx s GLU 248 Cb 0.16 -2.34 -0.02 0.00 -1.78 0.00 0.00 34.13 30.15 3hkx s GLU 248 CO 0.72 -0.08 1.23 -1.25 -0.49 0.00 0.00 175.26 175.39 3hkx s PRO 249 N -3.91 2.71 -0.02 0.39 0.04 -1.26 -4.94 135.00 128.00 3hkx s PRO 249 Ca 0.52 1.89 -0.31 0.00 0.04 0.00 0.00 61.00 63.15 3hkx s PRO 249 Cb -0.10 -1.89 0.12 0.00 0.04 0.00 0.00 34.50 32.67 3hkx s PRO 249 CO 0.32 -1.43 1.25 0.20 0.04 0.00 0.00 177.00 177.38 3hkx s GLY 250 N -1.61 -0.39 -0.28 0.56 0.00 -0.37 -5.02 107.32 100.22 3hkx s GLY 250 Ca 0.78 0.77 0.02 0.00 0.00 0.00 0.00 44.72 46.30 3hkx s GLY 250 CO 0.37 0.17 -0.04 -2.27 0.00 0.00 0.00 173.10 171.33 3hkx s LEU 251 N -2.87 3.48 -0.16 0.66 2.96 -1.26 -1.46 118.68 120.03 3hkx s LEU 251 Ca 0.13 -1.56 -0.21 0.00 -0.22 0.00 0.00 54.13 52.27 3hkx s LEU 251 Cb 0.04 -1.42 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 3hkx s LEU 251 CO -0.04 -0.27 0.64 -0.22 -1.32 0.00 0.00 176.35 175.14 3hkx s LEU 252 N 1.16 4.19 -0.10 -0.68 2.96 -0.19 -4.89 118.68 121.13 3hkx s LEU 252 Ca -0.01 0.92 0.03 0.00 -0.22 0.00 0.00 54.13 54.84 3hkx s LEU 252 Cb -0.19 -2.92 0.01 0.00 0.50 0.00 0.00 46.19 43.58 3hkx s LEU 252 CO -0.07 -0.22 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.85 3hkx s VAL 253 N 1.56 1.75 -0.02 1.68 1.01 -1.26 -0.24 120.40 124.88 3hkx s VAL 253 Ca 0.31 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3hkx s VAL 253 Cb -0.16 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.69 3hkx s VAL 253 CO 0.12 0.49 0.00 -0.69 0.00 0.00 0.00 175.10 175.02 3hkx s VAL 254 N 0.60 0.14 -0.06 2.92 1.01 -0.30 -4.74 120.40 119.96 3hkx s VAL 254 Ca -0.14 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 61.72 3hkx s VAL 254 Cb -0.17 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 3hkx s VAL 254 CO 0.04 0.12 0.58 -1.81 0.00 0.00 0.00 175.10 174.04 3hkx s ASP 255 N 0.88 6.87 -0.13 3.32 1.01 -1.26 -1.07 116.67 126.28 3hkx s ASP 255 Ca -0.09 1.04 -0.13 0.00 0.71 0.00 0.00 52.55 54.09 3hkx s ASP 255 Cb -0.12 -2.35 -0.05 0.00 1.01 0.00 0.00 42.92 41.42 3hkx s ASP 255 CO -0.02 0.00 0.28 -0.76 0.21 0.00 0.00 175.17 174.88 3hkx s LEU 256 N 0.40 4.30 0.69 1.23 1.43 -0.26 -5.01 118.68 121.45 3hkx s LEU 256 Ca 0.31 0.55 -0.13 0.00 -1.03 0.00 0.00 54.13 53.83 3hkx s LEU 256 Cb -0.17 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.72 3hkx s LEU 256 CO 0.15 0.18 1.08 -2.16 0.23 0.00 0.00 176.35 175.83 3hkx s PRO 257 N 0.02 2.77 -0.06 1.29 0.04 -1.26 -4.12 135.00 133.68 3hkx s PRO 257 Ca 0.17 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.13 3hkx s PRO 257 Cb -0.13 -1.96 -0.32 0.00 0.04 0.00 0.00 34.50 32.13 3hkx s PRO 257 CO 0.05 -1.24 1.47 -0.25 0.04 0.00 0.00 177.00 177.06 3hkx n ASP 258 N -2.82 0.73 -3.39 6.66 8.00 -0.62 -4.91 116.55 120.19 3hkx n ASP 258 Ca 0.09 -2.23 -0.27 0.00 0.71 0.00 0.00 54.79 53.10 3hkx n ASP 258 Cb 0.53 -0.50 -0.10 0.00 -0.02 0.00 0.00 41.12 41.03 3hkx n ASP 258 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hkx n ASP 269 N 8.81 -0.24 -0.35 -2.24 -0.08 -1.26 -5.10 116.55 116.08 3hkx n ASP 269 Ca 0.40 -2.45 -0.01 0.00 -1.51 0.00 0.00 54.79 51.22 3hkx n ASP 269 Cb 0.40 -0.57 0.14 0.00 2.34 0.00 0.00 41.12 43.43 3hkx n ASP 269 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3hkx h TYR 270 N 5.45 1.21 -0.05 -0.67 0.05 -1.94 -0.26 116.97 120.76 3hkx h TYR 270 Ca 0.24 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.92 3hkx h TYR 270 Cb 0.90 -0.41 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 3hkx h TYR 270 CO 0.29 0.76 -0.58 -0.07 -1.05 0.00 0.00 178.16 177.51 3hkx h LEU 271 N 1.30 0.16 0.11 3.88 3.38 -1.89 -1.93 115.31 120.33 3hkx h LEU 271 Ca 0.36 -0.09 -0.25 0.00 0.09 0.00 0.00 57.88 57.99 3hkx h LEU 271 Cb -0.14 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 40.59 3hkx h LEU 271 CO -0.08 0.70 -1.03 -0.61 0.09 0.00 0.00 178.44 177.51 3hkx h GLN 272 N 0.11 0.50 -0.05 1.13 4.15 -1.97 -3.37 115.11 115.61 3hkx h GLN 272 Ca -0.00 -0.69 -0.15 0.00 0.77 0.00 0.00 58.65 58.58 3hkx h GLN 272 Cb 1.05 0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.96 3hkx h GLN 272 CO 0.08 1.30 -0.64 -0.44 -1.93 0.00 0.00 178.83 177.20 3hkx h ASP 273 N 0.03 0.21 -2.25 -0.69 3.32 -0.91 -3.46 116.42 112.67 3hkx h ASP 273 Ca -0.16 -0.13 -0.61 0.00 0.02 0.00 0.00 57.03 56.15 3hkx h ASP 273 Cb 1.75 -0.06 0.07 0.00 0.22 0.00 0.00 39.33 41.31 3hkx h ASP 273 CO 0.20 0.79 0.57 -2.11 -1.72 0.00 0.00 179.24 176.97 3hkx n ARG 274 N -3.83 1.75 -2.36 3.56 1.85 -0.74 -4.85 116.66 112.05 3hkx n ARG 274 Ca -0.02 0.63 -0.43 0.00 -1.00 0.00 0.00 57.85 57.03 3hkx n ARG 274 Cb 0.64 -2.28 0.00 0.00 -1.05 0.00 0.00 32.46 29.77 3hkx n ARG 274 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3hkx n ARG 275 N 2.45 3.27 0.14 2.89 1.74 -1.26 -4.80 116.66 121.10 3hkx n ARG 275 Ca 0.15 -3.30 0.05 0.00 -0.77 0.00 0.00 57.85 53.98 3hkx n ARG 275 Cb 0.27 -3.17 0.49 0.00 -1.02 0.00 0.00 32.46 29.04 3hkx n ARG 275 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hkx h ALA 276 N 6.49 1.74 -0.04 7.54 0.00 -1.95 -1.07 119.26 131.97 3hkx h ALA 276 Ca 0.44 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 3hkx h ALA 276 Cb 0.73 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3hkx h ALA 276 CO 1.58 0.20 -0.52 0.93 0.00 0.00 0.00 179.25 181.44 3hkx h GLU 277 N 0.22 0.10 0.04 0.00 4.39 -2.01 -1.01 114.58 116.32 3hkx h GLU 277 Ca 0.05 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 3hkx h GLU 277 Cb 0.13 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3hkx h GLU 277 CO 0.00 0.60 -0.32 -0.07 -1.16 0.00 0.00 179.01 178.06 3hkx h LEU 278 N 0.08 0.21 -0.95 1.33 3.38 -1.69 -3.35 115.31 114.32 3hkx h LEU 278 Ca -0.00 -0.92 0.19 0.00 0.09 0.00 0.00 57.88 57.24 3hkx h LEU 278 Cb 0.95 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.52 3hkx h LEU 278 CO 0.07 1.11 0.54 0.45 0.09 0.00 0.00 178.44 180.70 3hkx h HIS 279 N -0.66 0.93 0.00 1.13 3.86 -1.02 -0.96 115.15 118.43 3hkx h HIS 279 Ca -0.05 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3hkx h HIS 279 Cb 1.20 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 29.40 3hkx h HIS 279 CO 0.22 0.15 -0.03 0.07 0.86 0.00 0.00 177.93 179.21 3hkx h ARG 280 N 0.65 0.00 -0.00 2.45 0.11 -1.32 -1.38 114.38 114.89 3hkx h ARG 280 Ca 0.56 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.64 3hkx h ARG 280 Cb 0.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.00 3hkx h ARG 280 CO -0.41 0.03 -0.23 0.09 0.10 0.00 0.00 179.97 179.54 3hkx n ASN 281 N -3.17 0.42 -0.33 0.08 3.02 -0.37 -4.23 115.26 110.69 3hkx n ASN 281 Ca -0.01 -0.24 0.05 0.00 -0.03 0.00 0.00 54.58 54.36 3hkx n ASN 281 Cb 0.25 -0.05 0.02 0.00 -0.61 0.00 0.00 39.78 39.40 3hkx n ASN 281 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 3hkx n TRP 282 N -1.24 0.00 1.80 3.10 8.01 -0.53 -5.15 117.44 123.44 3hkx n TRP 282 Ca 0.09 0.00 0.14 0.00 -1.31 0.00 0.00 57.50 56.43 3hkx n TRP 282 Cb 0.32 0.00 0.86 0.00 -2.01 0.00 0.00 31.31 30.48 3hkx n TRP 282 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96