#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hgj h LEU 3 N 0.00 0.78 -1.68 0.00 3.38 -1.94 -1.41 115.31 114.45 3hgj h LEU 3 Ca 0.00 0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.23 3hgj h LEU 3 Cb 0.00 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3hgj h LEU 3 CO 0.00 0.47 0.64 0.25 0.09 0.00 0.00 178.44 179.89 3hgj h LEU 4 N 0.87 0.25 -3.25 1.67 5.85 -1.91 -0.35 115.31 118.44 3hgj h LEU 4 Ca 0.39 0.03 -0.11 0.00 0.84 0.00 0.00 57.88 59.04 3hgj h LEU 4 Cb 0.37 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 3hgj h LEU 4 CO -0.16 0.09 -0.12 0.49 -0.34 0.00 0.00 178.44 178.39 3hgj n PHE 5 N -4.43 0.81 -4.10 1.25 3.72 -0.55 -1.43 117.46 112.72 3hgj n PHE 5 Ca 0.20 -1.42 -0.35 0.00 -0.05 0.00 0.00 57.45 55.84 3hgj n PHE 5 Cb 0.84 -0.40 -0.09 0.00 -0.94 0.00 0.00 39.48 38.90 3hgj n PHE 5 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3hgj s THR 6 N -3.15 4.76 0.82 4.37 -4.23 -0.14 -4.85 115.64 113.22 3hgj s THR 6 Ca 0.42 -0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.73 3hgj s THR 6 Cb 0.38 -3.09 0.01 0.00 1.34 0.00 0.00 72.50 71.14 3hgj s THR 6 CO 0.00 0.53 0.60 -2.65 -0.54 0.00 0.00 174.62 172.57 3hgj n PRO 7 N 2.83 0.07 -4.54 3.99 -0.02 -1.25 -4.20 135.00 131.89 3hgj n PRO 7 Ca -0.18 0.08 -0.27 0.00 -2.02 0.00 0.00 63.50 61.11 3hgj n PRO 7 Cb 0.53 -1.95 -0.17 0.00 -0.02 0.00 0.00 33.50 31.90 3hgj n PRO 7 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hgj s LEU 8 N -1.47 1.67 -0.19 2.45 2.96 -0.04 -4.93 118.68 119.13 3hgj s LEU 8 Ca 0.64 -0.36 -0.16 0.00 -0.22 0.00 0.00 54.13 54.02 3hgj s LEU 8 Cb -0.29 -0.96 -0.04 0.00 0.50 0.00 0.00 46.19 45.40 3hgj s LEU 8 CO 0.60 0.02 0.41 -1.61 -1.32 0.00 0.00 176.35 174.46 3hgj s GLU 9 N 0.83 4.19 0.02 1.98 8.01 -1.26 -0.52 118.70 131.96 3hgj s GLU 9 Ca -0.11 0.24 0.01 0.00 0.01 0.00 0.00 54.97 55.12 3hgj s GLU 9 Cb -0.15 -3.53 -0.02 0.00 -4.31 0.00 0.00 34.13 26.12 3hgj s GLU 9 CO 0.01 -0.03 -0.05 -0.51 0.01 0.00 0.00 175.26 174.70 3hgj s LEU 10 N 1.26 2.19 0.00 1.80 1.43 -0.72 -5.01 118.68 119.63 3hgj s LEU 10 Ca 0.20 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.89 3hgj s LEU 10 Cb -0.15 -0.07 0.00 0.00 0.03 0.00 0.00 46.19 46.00 3hgj s LEU 10 CO 0.08 -0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.10 3hgj n GLY 11 N 1.91 2.57 1.32 -3.19 0.00 -1.26 -1.38 105.19 105.15 3hgj n GLY 11 Ca -0.21 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.70 3hgj n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hgj n GLY 12 N 0.00 2.77 3.80 -0.02 0.00 0.20 -4.94 105.19 107.00 3hgj n GLY 12 Ca 0.00 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 3hgj n GLY 12 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3hgj s LEU 13 N -1.52 3.41 -0.24 0.99 0.05 -0.48 -5.03 118.68 115.86 3hgj s LEU 13 Ca 0.45 -0.67 0.02 0.00 0.05 0.00 0.00 54.13 53.99 3hgj s LEU 13 Cb 0.27 -1.96 0.05 0.00 -2.05 0.00 0.00 46.19 42.51 3hgj s LEU 13 CO 0.25 -0.37 -0.11 -0.60 -0.55 0.00 0.00 176.35 174.97 3hgj s ARG 14 N -3.94 2.18 0.31 1.48 3.52 -1.26 -1.75 118.95 119.49 3hgj s ARG 14 Ca 0.40 -1.18 -0.29 0.00 -0.13 0.00 0.00 55.73 54.54 3hgj s ARG 14 Cb -0.04 -2.75 -0.10 0.00 -1.56 0.00 0.00 34.95 30.51 3hgj s ARG 14 CO 0.25 -0.52 1.17 -0.51 -0.81 0.00 0.00 175.30 174.87 3hgj s LEU 15 N 1.20 4.49 0.42 -0.88 1.43 0.32 -4.89 118.68 120.77 3hgj s LEU 15 Ca -0.06 2.41 0.27 0.00 -1.03 0.00 0.00 54.13 55.72 3hgj s LEU 15 Cb -0.19 -3.67 0.87 0.00 0.03 0.00 0.00 46.19 43.24 3hgj s LEU 15 CO -0.06 -0.30 1.78 0.07 0.23 0.00 0.00 176.35 178.07 3hgj h LYS 16 N 3.59 0.00 0.00 1.70 2.10 -1.87 -0.06 116.57 122.03 3hgj h LYS 16 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 3hgj h LYS 16 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3hgj h LYS 16 CO 0.66 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.38 3hgj n ASN 17 N -2.85 0.00 -0.82 7.07 0.23 -1.26 -3.83 115.26 113.80 3hgj n ASN 17 Ca 0.03 -0.83 0.08 0.00 -0.53 0.00 0.00 54.58 53.33 3hgj n ASN 17 Cb 0.39 0.00 0.24 0.00 -2.08 0.00 0.00 39.78 38.34 3hgj n ASN 17 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3hgj n ARG 18 N 0.00 2.81 -4.10 -3.83 5.12 -0.51 -4.45 116.66 111.71 3hgj n ARG 18 Ca 0.00 -2.76 -0.35 0.00 -1.93 0.00 0.00 57.85 52.81 3hgj n ARG 18 Cb 0.00 -1.78 -0.09 0.00 -1.16 0.00 0.00 32.46 29.43 3hgj n ARG 18 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hgj s LEU 19 N -2.69 3.84 0.04 0.55 1.43 -1.26 -0.67 118.68 119.92 3hgj s LEU 19 Ca 0.40 0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.72 3hgj s LEU 19 Cb 0.32 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 3hgj s LEU 19 CO 0.09 0.27 -0.17 0.00 0.23 0.00 0.00 176.35 176.77 3hgj s ALA 20 N -0.22 1.44 -0.17 4.21 0.00 -0.22 -1.35 121.76 125.45 3hgj s ALA 20 Ca 0.08 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 50.81 3hgj s ALA 20 Cb -0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.74 3hgj s ALA 20 CO 0.01 0.30 1.17 1.41 0.00 0.00 0.00 175.76 178.66 3hgj s MET 21 N -1.15 4.26 0.44 0.00 1.75 0.77 -0.54 119.30 124.83 3hgj s MET 21 Ca 0.04 1.55 -0.23 0.00 -1.25 0.00 0.00 55.69 55.80 3hgj s MET 21 Cb -0.08 -3.70 -0.08 0.00 2.84 0.00 0.00 34.83 33.81 3hgj s MET 21 CO 0.01 -0.64 1.15 0.45 -0.65 0.00 0.00 175.02 175.35 3hgj s SER 22 N 1.64 6.29 0.20 1.11 0.15 0.28 -1.83 113.70 121.54 3hgj s SER 22 Ca 0.51 2.28 -0.33 0.00 0.70 0.00 0.00 55.95 59.12 3hgj s SER 22 Cb -0.20 -2.60 -0.13 0.00 -1.71 0.00 0.00 66.02 61.39 3hgj s SER 22 CO 0.13 -0.83 1.68 -0.81 1.20 0.00 0.00 173.24 174.60 3hgj n PRO 23 N -0.35 2.59 -3.57 5.44 -0.04 -1.21 -4.78 135.00 133.08 3hgj n PRO 23 Ca 0.07 0.93 -0.26 0.00 -0.04 0.00 0.00 63.50 64.20 3hgj n PRO 23 Cb 0.48 -2.76 -0.16 0.00 -0.04 0.00 0.00 33.50 31.03 3hgj n PRO 23 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3hgj s MET 24 N 1.06 0.13 0.13 0.54 -1.94 -1.26 -4.85 119.30 113.11 3hgj s MET 24 Ca 0.76 -0.21 -0.34 0.00 -1.71 0.00 0.00 55.69 54.18 3hgj s MET 24 Cb -0.56 -1.50 -0.16 0.00 2.01 0.00 0.00 34.83 34.62 3hgj s MET 24 CO 0.34 -0.80 1.18 0.00 -0.01 0.00 0.00 175.02 175.73 3hgj n GLN 26 N 1.92 2.33 -4.03 0.00 1.13 -1.26 -5.02 117.38 112.46 3hgj n GLN 26 Ca 0.17 -0.04 -0.32 0.00 -1.94 0.00 0.00 57.00 54.87 3hgj n GLN 26 Cb 0.21 -1.08 0.01 0.00 0.11 0.00 0.00 30.24 29.49 3hgj n GLN 26 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3hgj n TYR 27 N -1.49 -2.08 -0.81 1.08 4.01 -1.26 -4.82 117.16 111.79 3hgj n TYR 27 Ca 0.00 0.86 0.02 0.00 -0.16 0.00 0.00 57.90 58.63 3hgj n TYR 27 Cb 0.20 -3.61 0.02 0.00 -0.31 0.00 0.00 39.34 35.65 3hgj n TYR 27 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3hgj n SER 28 N -2.78 1.11 -4.81 7.72 7.64 -1.08 -4.83 113.62 116.60 3hgj n SER 28 Ca 0.04 -1.86 -0.29 0.00 1.01 0.00 0.00 58.87 57.77 3hgj n SER 28 Cb 0.52 -0.10 0.12 0.00 -1.01 0.00 0.00 64.21 63.73 3hgj n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hgj s ALA 29 N -0.85 2.13 0.97 -0.43 0.00 -0.73 -4.56 121.76 118.30 3hgj s ALA 29 Ca 0.05 -0.59 -0.12 0.00 0.00 0.00 0.00 51.96 51.30 3hgj s ALA 29 Cb 0.05 -3.00 0.17 0.00 0.00 0.00 0.00 23.12 20.34 3hgj s ALA 29 CO 0.01 -2.05 1.09 0.95 0.00 0.00 0.00 175.76 175.76 3hgj s THR 30 N -3.41 2.24 0.55 0.00 -4.23 -1.00 -4.66 115.64 105.13 3hgj s THR 30 Ca 0.63 0.08 0.36 0.00 -1.18 0.00 0.00 61.69 61.58 3hgj s THR 30 Cb -0.13 -2.57 0.54 0.00 1.34 0.00 0.00 72.50 71.68 3hgj s THR 30 CO 0.52 -0.10 1.78 -0.07 -0.54 0.00 0.00 174.62 176.21 3hgj h LEU 31 N -1.80 0.00 -2.34 4.79 3.38 -1.94 0.59 115.31 118.00 3hgj h LEU 31 Ca -0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.44 3hgj h LEU 31 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3hgj h LEU 31 CO 0.57 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.48 3hgj n GLU 32 N -4.08 2.49 -0.80 1.13 -0.58 -1.26 -4.85 120.64 112.69 3hgj n GLU 32 Ca 0.24 -2.29 0.00 0.00 -0.42 0.00 0.00 57.16 54.69 3hgj n GLU 32 Cb 1.23 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 30.59 3hgj n GLU 32 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hgj n GLY 33 N 1.52 0.57 3.82 0.62 0.00 0.20 -4.77 105.19 107.15 3hgj n GLY 33 Ca 0.21 -0.31 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 3hgj n GLY 33 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hgj s GLU 34 N -0.69 4.21 0.43 1.61 2.02 -1.26 -1.03 118.70 124.00 3hgj s GLU 34 Ca 0.00 1.01 -0.25 0.00 0.02 0.00 0.00 54.97 55.75 3hgj s GLU 34 Cb 0.00 -2.36 -0.08 0.00 0.10 0.00 0.00 34.13 31.79 3hgj s GLU 34 CO 0.00 0.08 1.35 0.08 0.02 0.00 0.00 175.26 176.79 3hgj s VAL 35 N -2.02 2.38 0.29 2.63 1.01 -1.26 -2.37 120.40 121.06 3hgj s VAL 35 Ca 0.57 0.34 0.02 0.00 0.00 0.00 0.00 61.98 62.91 3hgj s VAL 35 Cb -0.11 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.07 3hgj s VAL 35 CO 0.16 0.04 0.07 0.35 0.00 0.00 0.00 175.10 175.72 3hgj n THR 36 N -0.10 0.00 0.23 3.92 -2.24 -1.26 -4.83 114.28 109.99 3hgj n THR 36 Ca 0.05 -1.55 0.11 0.00 -2.27 0.00 0.00 64.05 60.38 3hgj n THR 36 Cb 0.43 0.48 0.69 0.00 -2.10 0.00 0.00 70.33 69.83 3hgj n THR 36 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hgj h ASP 37 N 0.98 0.00 -0.03 3.42 3.32 -1.96 -2.27 116.42 119.87 3hgj h ASP 37 Ca -0.23 0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.83 3hgj h ASP 37 Cb 0.80 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.34 3hgj h ASP 37 CO 0.37 0.00 -0.03 -0.25 -1.72 0.00 0.00 179.24 177.61 3hgj h TRP 38 N 0.00 -0.06 -0.45 4.55 2.91 -1.95 -1.67 115.95 119.27 3hgj h TRP 38 Ca 0.04 0.00 -0.08 0.00 1.13 0.00 0.00 58.89 59.98 3hgj h TRP 38 Cb 0.15 0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.82 3hgj h TRP 38 CO 0.00 -0.04 -0.05 0.45 -1.03 0.00 0.00 178.44 177.77 3hgj h HIS 39 N -0.04 0.83 0.00 2.65 -0.00 -1.76 0.98 115.15 117.82 3hgj h HIS 39 Ca 0.02 -0.13 0.00 0.00 -0.00 0.00 0.00 60.37 60.26 3hgj h HIS 39 Cb 0.07 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.26 3hgj h HIS 39 CO -0.12 0.80 0.00 -0.07 -0.00 0.00 0.00 177.93 178.54 3hgj h LEU 40 N 0.71 0.00 0.06 2.43 3.38 -1.29 -1.83 115.31 118.77 3hgj h LEU 40 Ca 0.13 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.76 3hgj h LEU 40 Cb 0.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 3hgj h LEU 40 CO 0.03 0.00 -1.89 -0.11 0.09 0.00 0.00 178.44 176.56 3hgj n LEU 41 N -2.84 2.38 -0.04 1.67 7.94 -0.64 -4.33 117.00 121.15 3hgj n LEU 41 Ca 0.00 0.24 -0.11 0.00 -1.11 0.00 0.00 56.01 55.03 3hgj n LEU 41 Cb 0.22 -1.02 -0.05 0.00 0.53 0.00 0.00 43.42 43.10 3hgj n LEU 41 CO 0.23 0.66 0.85 -0.74 -1.11 0.00 0.00 177.39 177.28 3hgj h HIS 42 N -0.37 0.24 0.06 1.96 2.76 -0.51 -2.91 115.15 116.37 3hgj h HIS 42 Ca -0.45 -0.02 -0.27 0.00 -2.20 0.00 0.00 60.37 57.43 3hgj h HIS 42 Cb 1.76 -0.07 0.02 0.00 1.55 0.00 0.00 27.41 30.67 3hgj h HIS 42 CO 0.06 0.30 -1.10 1.88 -1.30 0.00 0.00 177.93 177.77 3hgj h TYR 43 N 0.11 0.99 0.00 5.26 0.05 -1.58 -3.24 116.97 118.57 3hgj h TYR 43 Ca 0.05 -0.58 0.00 0.00 0.05 0.00 0.00 58.73 58.25 3hgj h TYR 43 Cb 0.16 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 37.80 3hgj h TYR 43 CO -0.02 1.42 0.00 -1.35 -1.05 0.00 0.00 178.16 177.16 3hgj h PRO 44 N 0.29 0.00 -0.99 4.88 0.11 -1.75 -1.72 132.00 132.82 3hgj h PRO 44 Ca -0.15 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.01 3hgj h PRO 44 Cb 1.77 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.82 3hgj h PRO 44 CO 0.21 0.00 0.64 1.15 -0.21 0.00 0.00 178.00 179.80 3hgj h THR 45 N 0.00 1.12 0.09 -1.15 2.02 -1.53 -0.04 112.91 113.42 3hgj h THR 45 Ca 0.00 -0.41 -0.26 0.00 0.77 0.00 0.00 66.41 66.51 3hgj h THR 45 Cb 0.69 -0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3hgj h THR 45 CO 0.00 0.22 -1.16 0.03 0.37 0.00 0.00 175.52 174.98 3hgj h ARG 46 N 1.20 0.22 -0.61 6.66 -0.00 -1.39 -1.81 114.38 118.65 3hgj h ARG 46 Ca 0.41 -0.36 0.05 0.00 -0.50 0.00 0.00 59.98 59.59 3hgj h ARG 46 Cb 0.09 0.13 -0.05 0.00 0.00 0.00 0.00 29.97 30.14 3hgj h ARG 46 CO -0.15 1.16 0.33 0.00 0.00 0.00 0.00 179.97 181.31 3hgj h ALA 47 N 0.69 0.80 -0.30 0.04 0.00 -1.13 -1.00 119.26 118.36 3hgj h ALA 47 Ca -0.10 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hgj h ALA 47 Cb 1.89 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 3hgj h ALA 47 CO 0.18 0.01 0.17 -0.07 0.00 0.00 0.00 179.25 179.53 3hgj h LEU 48 N 0.62 0.35 -0.02 0.00 3.38 -0.92 -1.52 115.31 117.20 3hgj h LEU 48 Ca 0.27 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3hgj h LEU 48 Cb 0.15 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hgj h LEU 48 CO -0.17 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.26 3hgj n GLY 49 N -1.40 -1.02 0.00 0.83 0.00 -0.42 -4.85 105.19 98.33 3hgj n GLY 49 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3hgj n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hgj n GLY 50 N 0.04 1.07 3.77 -0.02 0.00 -0.57 -2.81 105.19 106.68 3hgj n GLY 50 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3hgj n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hgj s VAL 51 N -2.00 3.06 -0.07 1.61 -7.23 -1.24 -4.91 120.40 109.63 3hgj s VAL 51 Ca 0.00 0.64 0.13 0.00 -1.81 0.00 0.00 61.98 60.94 3hgj s VAL 51 Cb 0.00 -3.24 -0.03 0.00 0.56 0.00 0.00 36.38 33.67 3hgj s VAL 51 CO 0.00 -0.16 1.36 1.23 -0.31 0.00 0.00 175.10 177.21 3hgj h GLY 52 N 0.99 0.00 -5.83 2.32 0.00 -1.50 -3.40 103.07 95.65 3hgj h GLY 52 Ca -0.50 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.59 3hgj h GLY 52 CO 0.56 0.00 -0.67 -2.27 0.00 0.00 0.00 176.54 174.16 3hgj s LEU 53 N -6.50 1.50 -0.18 3.11 2.96 -1.12 -1.67 118.68 116.78 3hgj s LEU 53 Ca 0.03 0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 54.01 3hgj s LEU 53 Cb 0.08 0.14 -0.02 0.00 0.50 0.00 0.00 46.19 46.89 3hgj s LEU 53 CO 0.77 -0.06 -0.02 -0.63 -1.32 0.00 0.00 176.35 175.09 3hgj s ILE 54 N 0.41 3.88 -0.51 6.68 1.01 -0.24 -0.16 121.20 132.27 3hgj s ILE 54 Ca -0.03 -0.35 -0.17 0.00 0.00 0.00 0.00 60.65 60.10 3hgj s ILE 54 Cb -0.05 -2.73 0.08 0.00 0.01 0.00 0.00 42.46 39.77 3hgj s ILE 54 CO -0.01 0.46 0.52 -0.76 0.00 0.00 0.00 174.94 175.15 3hgj s LEU 55 N 0.74 5.49 0.27 2.97 1.43 -0.76 0.30 118.68 129.12 3hgj s LEU 55 Ca -0.01 -1.29 -0.30 0.00 -1.03 0.00 0.00 54.13 51.50 3hgj s LEU 55 Cb -0.14 -2.28 -0.12 0.00 0.03 0.00 0.00 46.19 43.67 3hgj s LEU 55 CO 0.02 -0.82 1.53 0.52 0.23 0.00 0.00 176.35 177.84 3hgj n VAL 56 N 5.38 0.98 -0.86 -1.59 0.31 0.65 -3.33 118.33 119.88 3hgj n VAL 56 Ca -0.11 -0.25 -0.32 0.00 -0.01 0.00 0.00 64.34 63.66 3hgj n VAL 56 Cb 0.43 -1.80 0.03 0.00 -0.91 0.00 0.00 33.84 31.60 3hgj n VAL 56 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3hgj n GLU 57 N 2.14 0.00 -1.71 5.55 0.28 -1.26 -1.49 120.64 124.15 3hgj n GLU 57 Ca 0.10 0.00 -0.57 0.00 -0.16 0.00 0.00 57.16 56.53 3hgj n GLU 57 Cb 0.35 -0.86 -0.07 0.00 1.43 0.00 0.00 31.44 32.29 3hgj n GLU 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hgj n ALA 58 N -2.59 -0.13 -4.09 -1.84 0.00 -1.26 -3.95 120.51 106.66 3hgj n ALA 58 Ca -0.02 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.48 3hgj n ALA 58 Cb 0.57 -2.24 -0.16 0.00 0.00 0.00 0.00 19.45 17.62 3hgj n ALA 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hgj s THR 59 N 3.57 2.01 0.15 0.00 2.01 -0.16 -4.48 115.64 118.74 3hgj s THR 59 Ca 0.98 -1.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 3hgj s THR 59 Cb -1.05 -1.92 -0.07 0.00 0.01 0.00 0.00 72.50 69.47 3hgj s THR 59 CO 0.65 0.35 1.12 0.00 -0.69 0.00 0.00 174.62 176.06 3hgj s ALA 60 N 1.27 3.37 -0.79 7.40 0.00 -0.62 -1.18 121.76 131.21 3hgj s ALA 60 Ca 0.01 0.82 0.25 0.00 0.00 0.00 0.00 51.96 53.04 3hgj s ALA 60 Cb -0.15 -3.38 0.56 0.00 0.00 0.00 0.00 23.12 20.15 3hgj s ALA 60 CO -0.10 -0.27 1.48 1.33 0.00 0.00 0.00 175.76 178.20 3hgj n VAL 61 N 2.77 0.26 -3.60 0.00 0.24 -0.98 -0.51 118.33 116.50 3hgj n VAL 61 Ca 0.04 -0.17 -0.14 0.00 -2.04 0.00 0.00 64.34 62.03 3hgj n VAL 61 Cb 0.46 -0.14 -0.06 0.00 -1.47 0.00 0.00 33.84 32.63 3hgj n VAL 61 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3hgj s GLU 62 N -3.10 0.99 0.43 7.34 -1.05 -1.26 -4.33 118.70 117.73 3hgj s GLU 62 Ca 0.09 -0.25 0.13 0.00 -0.15 0.00 0.00 54.97 54.80 3hgj s GLU 62 Cb 0.15 0.45 1.02 0.00 -0.44 0.00 0.00 34.13 35.31 3hgj s GLU 62 CO 0.68 -0.35 1.98 -1.35 0.95 0.00 0.00 175.26 177.17 3hgj h PRO 63 N 2.89 0.40 0.00 -4.83 0.11 -1.98 0.21 132.00 128.80 3hgj h PRO 63 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3hgj h PRO 63 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hgj h PRO 63 CO 0.42 0.27 0.00 1.25 -0.21 0.00 0.00 178.00 179.72 3hgj h LEU 64 N 0.42 0.00 -0.56 2.35 5.85 -1.98 -2.89 115.31 118.49 3hgj h LEU 64 Ca 0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 3hgj h LEU 64 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3hgj h LEU 64 CO -0.07 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.64 3hgj n GLY 65 N -0.20 -0.37 3.80 3.75 0.00 0.74 -4.68 105.19 108.24 3hgj n GLY 65 Ca 0.00 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.39 3hgj n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hgj s ARG 66 N -1.92 3.75 -0.01 1.61 0.52 -1.10 0.03 118.95 121.84 3hgj s ARG 66 Ca 0.33 1.33 -0.01 0.00 -0.52 0.00 0.00 55.73 56.86 3hgj s ARG 66 Cb 0.17 -2.09 -0.01 0.00 0.52 0.00 0.00 34.95 33.54 3hgj s ARG 66 CO 0.27 -0.47 0.26 0.82 0.02 0.00 0.00 175.30 176.20 3hgj h ILE 67 N 1.40 0.00 -1.73 1.52 2.04 -1.91 -2.30 117.51 116.53 3hgj h ILE 67 Ca -0.49 -0.11 -0.52 0.00 1.00 0.00 0.00 64.86 64.75 3hgj h ILE 67 Cb 1.22 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 3hgj h ILE 67 CO 0.59 0.00 -0.46 -0.94 0.00 0.00 0.00 178.15 177.34 3hgj s SER 68 N -3.10 4.96 0.00 1.72 1.04 -1.25 -0.45 113.70 116.62 3hgj s SER 68 Ca -0.01 -0.71 0.16 0.00 0.48 0.00 0.00 55.95 55.87 3hgj s SER 68 Cb 0.00 -0.73 0.96 0.00 0.10 0.00 0.00 66.02 66.35 3hgj s SER 68 CO 0.02 -0.45 1.39 -2.65 0.98 0.00 0.00 173.24 172.53 3hgj n PRO 69 N -1.35 0.48 -1.72 4.02 -0.02 -1.26 -2.31 135.00 132.84 3hgj n PRO 69 Ca -0.00 0.01 -0.08 0.00 -2.02 0.00 0.00 63.50 61.40 3hgj n PRO 69 Cb 0.61 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.67 3hgj n PRO 69 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hgj n TYR 70 N -1.03 1.43 -2.93 6.00 4.01 -1.26 -3.98 117.16 119.40 3hgj n TYR 70 Ca 0.12 -1.82 -0.33 0.00 -0.16 0.00 0.00 57.90 55.71 3hgj n TYR 70 Cb 0.06 -0.28 -0.07 0.00 -0.31 0.00 0.00 39.34 38.75 3hgj n TYR 70 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hgj s ASP 71 N -3.36 6.87 0.54 7.72 -0.00 -0.98 -1.78 116.67 125.68 3hgj s ASP 71 Ca 0.41 1.53 -0.21 0.00 -0.00 0.00 0.00 52.55 54.28 3hgj s ASP 71 Cb 0.38 -2.47 -0.06 0.00 -0.00 0.00 0.00 42.92 40.77 3hgj s ASP 71 CO -0.03 -0.31 1.18 0.18 -0.00 0.00 0.00 175.17 176.20 3hgj n LEU 72 N -0.56 4.50 -4.24 1.23 4.77 -1.26 -4.13 117.00 117.31 3hgj n LEU 72 Ca 0.06 0.93 -0.14 0.00 -0.03 0.00 0.00 56.01 56.83 3hgj n LEU 72 Cb 0.54 -1.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.04 3hgj n LEU 72 CO 0.39 -1.12 -0.38 -0.83 -1.33 0.00 0.00 177.39 174.12 3hgj s GLY 73 N -0.99 1.11 -0.01 -0.72 0.00 -0.20 -1.59 107.32 104.92 3hgj s GLY 73 Ca 0.72 -1.52 0.02 0.00 0.00 0.00 0.00 44.72 43.93 3hgj s GLY 73 CO 0.50 -1.56 0.90 4.51 0.00 0.00 0.00 173.10 177.45 3hgj n ILE 74 N -0.21 0.25 0.94 0.90 3.06 0.34 -4.81 119.36 119.83 3hgj n ILE 74 Ca -0.09 -0.29 0.11 0.00 -2.50 0.00 0.00 62.75 59.98 3hgj n ILE 74 Cb 0.62 0.54 0.54 0.00 0.54 0.00 0.00 39.64 41.87 3hgj n ILE 74 CO 0.00 0.00 0.00 -2.67 -2.50 0.00 0.00 176.55 171.38 3hgj n TRP 75 N -0.18 0.00 -4.29 9.51 2.14 -1.24 -4.64 117.44 118.74 3hgj n TRP 75 Ca 0.02 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.40 3hgj n TRP 75 Cb 0.63 -0.41 -0.13 0.00 -0.81 0.00 0.00 31.31 30.59 3hgj n TRP 75 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 3hgj s SER 76 N -2.81 1.48 0.54 -0.67 0.15 -1.26 -5.01 113.70 106.11 3hgj s SER 76 Ca 0.16 -0.45 0.26 0.00 0.70 0.00 0.00 55.95 56.62 3hgj s SER 76 Cb 0.16 -0.08 1.43 0.00 -1.71 0.00 0.00 66.02 65.82 3hgj s SER 76 CO 0.40 -0.00 1.99 -0.33 1.20 0.00 0.00 173.24 176.49 3hgj h GLU 77 N 4.91 0.00 -0.00 5.44 4.39 -2.01 -1.86 114.58 125.44 3hgj h GLU 77 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 3hgj h GLU 77 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3hgj h GLU 77 CO 0.44 0.00 -0.04 -0.25 -1.16 0.00 0.00 179.01 178.00 3hgj n ASP 78 N -4.25 0.22 0.24 1.42 8.00 -1.26 -2.07 116.55 118.84 3hgj n ASP 78 Ca 0.09 -0.56 0.13 0.00 0.71 0.00 0.00 54.79 55.16 3hgj n ASP 78 Cb 0.60 -0.13 0.42 0.00 -0.02 0.00 0.00 41.12 41.99 3hgj n ASP 78 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 3hgj h HIS 79 N 0.29 0.00 -0.09 1.24 3.86 -1.67 -3.38 115.15 115.39 3hgj h HIS 79 Ca 0.00 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 3hgj h HIS 79 Cb 0.25 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.66 3hgj h HIS 79 CO 0.00 0.07 -0.37 -0.07 0.86 0.00 0.00 177.93 178.42 3hgj h LEU 80 N 0.00 -1.14 -0.71 2.43 4.07 -1.58 -1.45 115.31 116.93 3hgj h LEU 80 Ca -0.00 0.15 0.06 0.00 0.08 0.00 0.00 57.88 58.18 3hgj h LEU 80 Cb 0.79 0.47 -0.06 0.00 1.08 0.00 0.00 40.66 42.94 3hgj h LEU 80 CO 0.01 -0.40 0.40 -0.65 -1.08 0.00 0.00 178.44 176.72 3hgj h PRO 81 N -0.47 0.71 -0.16 1.13 0.11 -1.79 0.24 132.00 131.78 3hgj h PRO 81 Ca 0.08 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 3hgj h PRO 81 Cb 0.59 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 3hgj h PRO 81 CO -0.35 0.47 -0.01 0.78 -0.21 0.00 0.00 178.00 178.68 3hgj h GLY 82 N 0.73 0.31 1.30 -0.55 0.00 -1.76 -2.33 103.07 100.78 3hgj h GLY 82 Ca 0.32 -0.24 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 3hgj h GLY 82 CO -0.19 0.22 0.06 1.41 0.00 0.00 0.00 176.54 178.04 3hgj h LEU 83 N 0.03 0.82 -0.51 3.11 3.38 -0.70 -1.59 115.31 119.85 3hgj h LEU 83 Ca 0.05 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3hgj h LEU 83 Cb 0.39 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3hgj h LEU 83 CO 0.01 0.85 0.28 0.50 0.09 0.00 0.00 178.44 180.17 3hgj h LYS 84 N 0.81 0.71 -0.53 1.13 3.64 -0.50 -0.21 116.57 121.64 3hgj h LYS 84 Ca 0.17 -0.08 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 3hgj h LYS 84 Cb 0.40 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3hgj h LYS 84 CO 0.01 0.55 0.04 1.49 -2.27 0.00 0.00 179.45 179.27 3hgj h GLU 85 N 0.68 0.91 0.06 1.90 4.57 -1.04 -0.86 114.58 120.81 3hgj h GLU 85 Ca 0.18 -0.27 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 3hgj h GLU 85 Cb 0.04 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 3hgj h GLU 85 CO -0.03 0.91 -0.16 1.25 -1.18 0.00 0.00 179.01 179.81 3hgj h LEU 86 N 0.79 -0.44 -0.96 1.64 5.85 -1.16 -0.25 115.31 120.78 3hgj h LEU 86 Ca 0.15 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3hgj h LEU 86 Cb 0.48 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 3hgj h LEU 86 CO 0.02 -0.23 0.55 0.00 -0.34 0.00 0.00 178.44 178.44 3hgj h ALA 87 N 0.59 1.21 -0.56 1.25 0.00 -0.98 -1.98 119.26 118.79 3hgj h ALA 87 Ca 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3hgj h ALA 87 Cb 0.33 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3hgj h ALA 87 CO -0.11 0.66 0.20 -0.09 0.00 0.00 0.00 179.25 179.92 3hgj h ARG 88 N 1.29 0.85 -0.10 0.00 2.43 -0.74 -1.43 114.38 116.67 3hgj h ARG 88 Ca 0.33 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 3hgj h ARG 88 Cb -0.03 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 3hgj h ARG 88 CO -0.06 0.75 -0.52 0.00 -1.51 0.00 0.00 179.97 178.63 3hgj h ARG 89 N 0.77 0.29 -0.19 0.20 3.08 -0.91 0.38 114.38 118.00 3hgj h ARG 89 Ca 0.18 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3hgj h ARG 89 Cb 0.24 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3hgj h ARG 89 CO -0.01 0.75 0.05 0.82 -1.07 0.00 0.00 179.97 180.50 3hgj h ILE 90 N 0.23 1.21 -0.39 2.04 2.04 -1.06 -1.59 117.51 119.98 3hgj h ILE 90 Ca 0.01 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 3hgj h ILE 90 Cb 1.00 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 3hgj h ILE 90 CO 0.08 0.20 0.09 -0.09 0.00 0.00 0.00 178.15 178.44 3hgj h ARG 91 N 0.12 0.63 -0.43 2.37 2.43 -1.04 -2.03 114.38 116.43 3hgj h ARG 91 Ca 0.06 -0.15 0.09 0.00 -0.81 0.00 0.00 59.98 59.17 3hgj h ARG 91 Cb 0.27 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 3hgj h ARG 91 CO 0.00 0.66 0.30 1.49 -1.51 0.00 0.00 179.97 180.91 3hgj h GLU 92 N 0.49 0.18 -0.01 0.20 4.81 -0.17 -1.04 114.58 119.04 3hgj h GLU 92 Ca 0.12 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3hgj h GLU 92 Cb 0.32 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.65 3hgj h GLU 92 CO 0.00 0.12 -0.05 0.00 -0.73 0.00 0.00 179.01 178.35 3hgj n ALA 93 N -2.56 2.68 0.00 2.92 0.00 -0.61 -4.94 120.51 118.00 3hgj n ALA 93 Ca 0.07 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3hgj n ALA 93 Cb 0.37 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3hgj n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgj n GLY 94 N 1.19 1.42 3.77 0.00 0.00 -0.39 -3.26 105.19 107.91 3hgj n GLY 94 Ca 0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3hgj n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hgj s ALA 95 N -2.00 3.50 -0.03 4.61 0.00 -1.02 -4.90 121.76 121.92 3hgj s ALA 95 Ca 0.00 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 50.46 3hgj s ALA 95 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 23.12 21.77 3hgj s ALA 95 CO 0.00 0.55 1.18 0.08 0.00 0.00 0.00 175.76 177.57 3hgj s VAL 96 N -1.67 4.26 -0.32 0.00 1.01 -0.67 -3.33 120.40 119.68 3hgj s VAL 96 Ca 0.30 1.60 -0.28 0.00 0.00 0.00 0.00 61.98 63.59 3hgj s VAL 96 Cb -0.10 -4.03 0.02 0.00 0.00 0.00 0.00 36.38 32.27 3hgj s VAL 96 CO 0.22 0.03 1.04 -2.16 0.00 0.00 0.00 175.10 174.23 3hgj s PRO 97 N 1.93 4.05 0.43 2.72 0.04 -1.26 -1.08 135.00 141.82 3hgj s PRO 97 Ca 0.56 1.01 0.06 0.00 0.04 0.00 0.00 61.00 62.68 3hgj s PRO 97 Cb -0.25 -3.74 -0.06 0.00 0.04 0.00 0.00 34.50 30.50 3hgj s PRO 97 CO 0.23 -0.88 0.07 0.20 0.04 0.00 0.00 177.00 176.67 3hgj s GLY 98 N 1.65 2.53 -0.14 0.56 0.00 0.15 -0.52 107.32 111.54 3hgj s GLY 98 Ca 0.44 -1.92 -0.13 0.00 0.00 0.00 0.00 44.72 43.12 3hgj s GLY 98 CO 0.15 -2.05 0.38 -1.50 0.00 0.00 0.00 173.10 170.07 3hgj s ILE 99 N -2.71 -0.00 -0.26 0.90 2.07 -0.99 -0.25 121.20 119.96 3hgj s ILE 99 Ca 0.32 0.01 -0.17 0.00 -1.41 0.00 0.00 60.65 59.41 3hgj s ILE 99 Cb 0.06 -0.54 -0.03 0.00 0.13 0.00 0.00 42.46 42.09 3hgj s ILE 99 CO 0.17 0.01 0.45 -1.58 -1.91 0.00 0.00 174.94 172.08 3hgj s GLN 100 N 0.34 4.06 -0.01 3.50 0.74 -0.56 -1.30 119.66 126.44 3hgj s GLN 100 Ca -0.01 0.21 -0.18 0.00 0.05 0.00 0.00 55.36 55.43 3hgj s GLN 100 Cb -0.03 -3.65 -0.06 0.00 1.10 0.00 0.00 33.01 30.37 3hgj s GLN 100 CO -0.01 -0.30 0.50 -0.51 -0.55 0.00 0.00 175.29 174.42 3hgj s LEU 101 N 2.16 4.43 0.03 3.68 1.43 0.18 -0.99 118.68 129.60 3hgj s LEU 101 Ca 0.19 1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 54.33 3hgj s LEU 101 Cb -0.16 -2.75 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 3hgj s LEU 101 CO 0.09 0.20 -0.03 0.00 0.23 0.00 0.00 176.35 176.84 3hgj s ALA 102 N -0.54 0.27 -0.04 4.21 0.00 -0.33 -1.30 121.76 124.03 3hgj s ALA 102 Ca 0.27 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.40 3hgj s ALA 102 Cb -0.17 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.17 3hgj s ALA 102 CO 0.15 -0.23 0.03 -1.58 0.00 0.00 0.00 175.76 174.13 3hgj s HIS 103 N -2.36 0.19 -1.40 0.00 2.46 -1.26 -2.32 115.29 110.61 3hgj s HIS 103 Ca -0.08 0.12 0.30 0.00 0.47 0.00 0.00 55.06 55.87 3hgj s HIS 103 Cb -0.03 -0.47 1.47 0.00 -0.13 0.00 0.00 32.58 33.42 3hgj s HIS 103 CO -0.04 -0.18 2.02 0.00 -2.47 0.00 0.00 174.74 174.07 3hgj n ALA 104 N 4.84 2.45 -0.11 1.58 0.00 0.10 -0.86 120.51 128.50 3hgj n ALA 104 Ca -0.13 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3hgj n ALA 104 Cb 0.50 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3hgj n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgj n GLY 105 N 1.25 2.47 0.00 0.00 0.00 -1.26 -1.59 105.19 106.07 3hgj n GLY 105 Ca 0.13 0.19 0.09 0.00 0.00 0.00 0.00 46.02 46.44 3hgj n GLY 105 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hgj n ARG 106 N 14.00 0.20 -0.28 1.61 1.85 -0.54 -1.62 116.66 131.89 3hgj n ARG 106 Ca 0.00 0.12 0.07 0.00 -1.00 0.00 0.00 57.85 57.04 3hgj n ARG 106 Cb 0.00 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 30.11 3hgj n ARG 106 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 3hgj n LYS 107 N -1.34 2.95 -1.72 2.89 5.02 -0.62 -4.60 118.16 120.75 3hgj n LYS 107 Ca 0.08 -2.33 -0.33 0.00 -2.02 0.00 0.00 58.31 53.71 3hgj n LYS 107 Cb 0.17 -1.46 0.05 0.00 -0.02 0.00 0.00 35.03 33.77 3hgj n LYS 107 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hgj s ALA 108 N -1.43 2.43 -0.18 7.82 0.00 -0.64 -4.52 121.76 125.24 3hgj s ALA 108 Ca 0.31 0.58 -0.01 0.00 0.00 0.00 0.00 51.96 52.85 3hgj s ALA 108 Cb 0.19 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 3hgj s ALA 108 CO 0.17 -1.34 0.16 0.41 0.00 0.00 0.00 175.76 175.16 3hgj n GLY 109 N -0.42 0.53 3.36 0.00 0.00 0.41 -4.88 105.19 104.20 3hgj n GLY 109 Ca 0.11 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3hgj n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hgj s THR 110 N -3.07 1.92 0.86 2.61 -4.23 0.14 -1.19 115.64 112.69 3hgj s THR 110 Ca 0.07 -2.09 -0.11 0.00 -1.18 0.00 0.00 61.69 58.38 3hgj s THR 110 Cb -0.01 -1.99 0.11 0.00 1.34 0.00 0.00 72.50 71.95 3hgj s THR 110 CO 0.13 -0.40 1.16 0.00 -0.54 0.00 0.00 174.62 174.96 3hgj s ALA 111 N -2.38 1.71 0.32 3.99 0.00 -0.79 -3.88 121.76 120.73 3hgj s ALA 111 Ca 0.20 0.62 -0.26 0.00 0.00 0.00 0.00 51.96 52.52 3hgj s ALA 111 Cb -0.04 -3.44 -0.14 0.00 0.00 0.00 0.00 23.12 19.50 3hgj s ALA 111 CO 0.08 -2.45 0.78 0.54 0.00 0.00 0.00 175.76 174.71 3hgj n ARG 112 N -3.82 0.86 -0.32 0.00 1.74 -1.26 -3.78 116.66 110.08 3hgj n ARG 112 Ca 0.12 0.30 0.05 0.00 -0.77 0.00 0.00 57.85 57.55 3hgj n ARG 112 Cb 0.52 -1.60 0.20 0.00 -1.02 0.00 0.00 32.46 30.56 3hgj n ARG 112 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3hgj h PRO 113 N 1.41 0.83 -0.52 5.56 0.11 -1.92 0.72 132.00 138.18 3hgj h PRO 113 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hgj h PRO 113 Cb 1.38 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hgj h PRO 113 CO 0.57 0.55 0.00 -2.67 -0.21 0.00 0.00 178.00 176.24 3hgj n TRP 114 N -4.71 0.64 -1.57 0.65 2.14 -1.26 -2.82 117.44 110.51 3hgj n TRP 114 Ca 0.16 -0.26 0.06 0.00 2.07 0.00 0.00 57.50 59.53 3hgj n TRP 114 Cb 0.32 -0.11 0.13 0.00 -0.81 0.00 0.00 31.31 30.83 3hgj n TRP 114 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3hgj n GLU 115 N 0.39 1.02 0.00 -2.67 1.02 0.14 -4.98 120.64 115.57 3hgj n GLU 115 Ca 0.12 -2.51 0.00 0.00 -0.02 0.00 0.00 57.16 54.75 3hgj n GLU 115 Cb 0.44 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 3hgj n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hgj n GLY 116 N -0.87 3.01 2.27 0.62 0.00 -1.13 -4.66 105.19 104.44 3hgj n GLY 116 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 3hgj n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hgj n GLY 117 N -0.92 -0.09 3.81 -0.02 0.00 -0.57 -4.93 105.19 102.47 3hgj n GLY 117 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3hgj n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hgj s LYS 118 N -4.43 4.35 0.54 1.61 -0.14 -1.26 -4.17 119.74 116.24 3hgj s LYS 118 Ca 0.00 1.05 -0.20 0.00 -1.36 0.00 0.00 55.97 55.47 3hgj s LYS 118 Cb 0.00 -2.70 -0.07 0.00 -1.68 0.00 0.00 37.83 33.37 3hgj s LYS 118 CO 0.00 0.27 0.84 -2.30 -0.76 0.00 0.00 175.35 173.39 3hgj n PRO 119 N 0.35 0.89 0.00 -1.68 -0.02 -1.26 -1.89 135.00 131.38 3hgj n PRO 119 Ca 0.01 0.33 0.05 0.00 -2.02 0.00 0.00 63.50 61.88 3hgj n PRO 119 Cb 0.51 -1.98 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 3hgj n PRO 119 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hgj n LEU 120 N -0.04 1.17 0.00 2.45 4.77 -0.33 -4.85 117.00 120.17 3hgj n LEU 120 Ca 0.12 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.36 3hgj n LEU 120 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 3hgj n LEU 120 CO 0.52 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.42 3hgj n GLY 121 N 0.94 0.79 3.79 -0.72 0.00 -1.26 -5.07 105.19 103.66 3hgj n GLY 121 Ca 0.04 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 3hgj n GLY 121 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hgj s TRP 122 N -2.00 2.83 -1.30 1.61 0.51 -1.26 -4.93 118.94 114.40 3hgj s TRP 122 Ca 0.00 1.51 -0.17 0.00 -2.12 0.00 0.00 56.10 55.32 3hgj s TRP 122 Cb 0.00 -3.01 0.02 0.00 -0.81 0.00 0.00 33.47 29.66 3hgj s TRP 122 CO 0.00 -1.46 2.00 0.54 -0.51 0.00 0.00 176.95 177.53 3hgj n ARG 123 N -2.85 2.72 -2.33 4.98 1.74 -1.26 -4.94 116.66 114.72 3hgj n ARG 123 Ca 0.09 -2.73 -0.32 0.00 -0.77 0.00 0.00 57.85 54.11 3hgj n ARG 123 Cb 0.53 -3.35 -0.03 0.00 -1.02 0.00 0.00 32.46 28.59 3hgj n ARG 123 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3hgj s VAL 124 N 4.37 4.57 0.24 1.55 -7.23 -1.26 -4.87 120.40 117.77 3hgj s VAL 124 Ca 0.52 1.15 0.11 0.00 -1.81 0.00 0.00 61.98 61.95 3hgj s VAL 124 Cb 0.10 -3.74 -0.05 0.00 0.56 0.00 0.00 36.38 33.24 3hgj s VAL 124 CO 0.01 -0.76 -0.20 0.68 -0.31 0.00 0.00 175.10 174.53 3hgj s VAL 125 N -2.70 2.25 0.24 1.32 -7.23 -1.25 -0.51 120.40 112.51 3hgj s VAL 125 Ca 0.58 -2.24 -0.10 0.00 -1.81 0.00 0.00 61.98 58.41 3hgj s VAL 125 Cb -0.10 -2.16 0.04 0.00 0.56 0.00 0.00 36.38 34.71 3hgj s VAL 125 CO 0.35 -0.36 0.54 0.61 -0.31 0.00 0.00 175.10 175.93 3hgj n GLY 126 N -0.28 1.26 0.16 2.32 0.00 -0.97 -1.46 105.19 106.22 3hgj n GLY 126 Ca -0.08 -1.15 0.03 0.00 0.00 0.00 0.00 46.02 44.81 3hgj n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hgj h PRO 127 N 0.00 0.00 -3.91 1.61 0.13 -1.87 -1.88 132.00 126.08 3hgj h PRO 127 Ca -0.21 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.82 3hgj h PRO 127 Cb 0.80 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.78 3hgj h PRO 127 CO 0.27 0.50 -0.48 -1.12 -0.23 0.00 0.00 178.00 176.94 3hgj s SER 128 N -6.55 0.22 -1.54 1.44 0.01 -1.26 -4.42 113.70 101.61 3hgj s SER 128 Ca 0.01 -0.71 -0.10 0.00 1.31 0.00 0.00 55.95 56.45 3hgj s SER 128 Cb 0.11 0.28 -0.03 0.00 0.21 0.00 0.00 66.02 66.59 3hgj s SER 128 CO 0.72 -0.65 2.70 -0.81 0.41 0.00 0.00 173.24 175.61 3hgj n PRO 129 N 0.15 3.66 -3.98 12.44 -0.04 -1.26 -4.50 135.00 141.47 3hgj n PRO 129 Ca -0.16 -2.50 -0.30 0.00 -0.04 0.00 0.00 63.50 60.50 3hgj n PRO 129 Cb 0.61 -2.88 -0.16 0.00 -0.04 0.00 0.00 33.50 31.04 3hgj n PRO 129 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3hgj s ILE 130 N 1.85 1.58 0.71 0.52 1.01 -1.26 -4.85 121.20 120.76 3hgj s ILE 130 Ca 0.62 -1.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 3hgj s ILE 130 Cb 0.17 -1.70 0.02 0.00 0.01 0.00 0.00 42.46 40.95 3hgj s ILE 130 CO -0.07 0.12 1.17 -0.81 0.00 0.00 0.00 174.94 175.35 3hgj n PRO 131 N 4.69 0.71 -0.35 2.79 -0.04 -1.26 -4.48 135.00 137.06 3hgj n PRO 131 Ca -0.14 0.30 -0.01 0.00 -0.04 0.00 0.00 63.50 63.62 3hgj n PRO 131 Cb 0.46 -2.41 0.15 0.00 -0.04 0.00 0.00 33.50 31.65 3hgj n PRO 131 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 3hgj h PHE 132 N -0.04 1.20 -1.13 0.54 3.57 -1.81 -3.47 116.94 115.80 3hgj h PHE 132 Ca -0.49 0.03 0.37 0.00 3.53 0.00 0.00 57.97 61.41 3hgj h PHE 132 Cb 1.33 -0.40 -0.14 0.00 2.79 0.00 0.00 35.95 39.52 3hgj h PHE 132 CO 0.42 0.73 0.95 0.34 -2.23 0.00 0.00 178.31 178.52 3hgj s ASP 133 N -6.12 -0.02 -0.10 0.41 -1.08 -1.26 -4.63 116.67 103.86 3hgj s ASP 133 Ca -0.13 -0.03 -0.37 0.00 -0.52 0.00 0.00 52.55 51.50 3hgj s ASP 133 Cb 0.18 0.05 -0.14 0.00 -1.46 0.00 0.00 42.92 41.55 3hgj s ASP 133 CO 0.81 -0.08 1.72 -0.62 0.52 0.00 0.00 175.17 177.52 3hgj n GLU 134 N -0.43 1.64 0.00 4.34 1.02 -1.26 -1.10 120.64 124.86 3hgj n GLU 134 Ca -0.08 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 3hgj n GLU 134 Cb 0.63 -2.35 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 3hgj n GLU 134 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hgj n GLY 135 N 3.94 2.46 3.85 0.62 0.00 -1.26 -5.08 105.19 109.72 3hgj n GLY 135 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3hgj n GLY 135 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hgj s TYR 136 N -2.56 3.68 0.71 1.61 2.02 -0.25 -4.77 117.35 117.79 3hgj s TYR 136 Ca 0.00 0.89 -0.16 0.00 -0.37 0.00 0.00 57.07 57.43 3hgj s TYR 136 Cb 0.00 -2.22 0.02 0.00 -0.40 0.00 0.00 41.96 39.37 3hgj s TYR 136 CO 0.00 0.62 1.26 -0.35 -1.57 0.00 0.00 175.55 175.51 3hgj n PRO 137 N 1.59 0.78 -2.29 -1.71 -0.04 -1.26 -4.68 135.00 127.40 3hgj n PRO 137 Ca -0.13 0.33 -0.43 0.00 -0.04 0.00 0.00 63.50 63.24 3hgj n PRO 137 Cb 0.53 -2.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.46 3hgj n PRO 137 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hgj s VAL 138 N -1.64 4.01 0.81 0.52 1.01 -1.26 -4.38 120.40 119.47 3hgj s VAL 138 Ca 0.80 1.26 -0.11 0.00 0.00 0.00 0.00 61.98 63.93 3hgj s VAL 138 Cb -0.35 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 32.30 3hgj s VAL 138 CO 0.44 -0.09 1.11 -2.16 0.00 0.00 0.00 175.10 174.41 3hgj s PRO 139 N 3.36 1.89 -0.28 2.72 0.04 -1.26 -4.81 135.00 136.66 3hgj s PRO 139 Ca 0.61 1.33 -0.14 0.00 0.04 0.00 0.00 61.00 62.83 3hgj s PRO 139 Cb -0.26 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 3hgj s PRO 139 CO 0.21 -1.94 0.35 -2.00 0.04 0.00 0.00 177.00 173.65 3hgj s GLU 140 N -4.74 3.95 0.30 4.56 2.12 0.33 -4.11 118.70 121.12 3hgj s GLU 140 Ca 0.64 -0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.61 3hgj s GLU 140 Cb -0.20 -3.67 -0.11 0.00 0.26 0.00 0.00 34.13 30.41 3hgj s GLU 140 CO 0.55 -0.30 1.54 -1.25 -0.54 0.00 0.00 175.26 175.27 3hgj s PRO 141 N 2.03 4.15 0.16 4.30 0.04 -1.26 -2.29 135.00 142.13 3hgj s PRO 141 Ca 0.14 2.52 -0.30 0.00 0.04 0.00 0.00 61.00 63.40 3hgj s PRO 141 Cb -0.16 -3.03 -0.07 0.00 0.04 0.00 0.00 34.50 31.28 3hgj s PRO 141 CO 0.10 -0.56 1.10 -0.51 0.04 0.00 0.00 177.00 177.17 3hgj s LEU 142 N -0.82 4.48 0.63 -3.56 1.43 -0.71 -4.89 118.68 115.25 3hgj s LEU 142 Ca 0.60 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.76 3hgj s LEU 142 Cb -0.46 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.23 3hgj s LEU 142 CO 0.50 -0.24 0.88 1.51 0.23 0.00 0.00 176.35 179.24 3hgj s ASP 143 N 0.02 4.84 0.59 2.29 1.47 -1.26 -4.89 116.67 119.73 3hgj s ASP 143 Ca 0.50 -0.16 0.35 0.00 1.18 0.00 0.00 52.55 54.42 3hgj s ASP 143 Cb -0.29 -0.48 1.85 0.00 -0.34 0.00 0.00 42.92 43.66 3hgj s ASP 143 CO 0.34 -1.49 2.20 -0.33 0.68 0.00 0.00 175.17 176.57 3hgj h GLU 144 N -0.22 0.00 -0.26 2.11 5.08 -1.99 0.15 114.58 119.45 3hgj h GLU 144 Ca -0.39 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 57.80 3hgj h GLU 144 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 3hgj h GLU 144 CO 0.47 0.04 -0.48 0.00 -1.00 0.00 0.00 179.01 178.04 3hgj h ALA 145 N 1.96 0.41 -0.70 3.43 0.00 -1.99 -2.54 119.26 119.83 3hgj h ALA 145 Ca -0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 3hgj h ALA 145 Cb 0.19 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hgj h ALA 145 CO 0.01 0.57 0.19 0.78 0.00 0.00 0.00 179.25 180.79 3hgj h GLY 146 N 0.53 1.19 1.26 0.00 0.00 -1.12 -2.12 103.07 102.81 3hgj h GLY 146 Ca 0.01 -0.73 -0.09 0.00 0.00 0.00 0.00 47.33 46.52 3hgj h GLY 146 CO 0.11 0.68 -0.04 -0.33 0.00 0.00 0.00 176.54 176.96 3hgj h MET 147 N 1.04 0.88 -0.35 4.80 2.07 -1.31 -2.25 114.93 119.81 3hgj h MET 147 Ca 0.22 -0.27 -0.09 0.00 -2.07 0.00 0.00 59.70 57.48 3hgj h MET 147 Cb 0.35 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 29.98 3hgj h MET 147 CO -0.00 0.90 -0.15 1.49 1.07 0.00 0.00 176.91 180.23 3hgj h GLU 148 N 0.81 0.72 -0.12 1.72 4.57 -1.31 0.10 114.58 121.07 3hgj h GLU 148 Ca 0.14 -0.31 0.03 0.00 -1.18 0.00 0.00 59.36 58.04 3hgj h GLU 148 Cb 0.54 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.08 3hgj h GLU 148 CO 0.03 0.91 -0.04 -0.09 -1.18 0.00 0.00 179.01 178.64 3hgj h ARG 149 N 0.51 -0.02 -0.71 1.92 2.43 -1.30 -0.84 114.38 116.37 3hgj h ARG 149 Ca 0.08 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3hgj h ARG 149 Cb 0.68 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.20 3hgj h ARG 149 CO 0.05 -0.02 0.34 0.82 -1.51 0.00 0.00 179.97 179.65 3hgj h ILE 150 N -0.02 1.23 -0.37 1.20 2.04 -1.35 -0.64 117.51 119.60 3hgj h ILE 150 Ca 0.06 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.33 3hgj h ILE 150 Cb 0.12 0.36 -0.06 0.00 -0.74 0.00 0.00 36.82 36.49 3hgj h ILE 150 CO -0.13 0.28 -0.04 0.25 0.00 0.00 0.00 178.15 178.50 3hgj h LEU 151 N 0.99 -0.24 -1.13 1.44 6.46 -0.74 -1.00 115.31 121.08 3hgj h LEU 151 Ca 0.24 0.10 -0.09 0.00 -0.12 0.00 0.00 57.88 58.01 3hgj h LEU 151 Cb 0.12 0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 3hgj h LEU 151 CO -0.03 -0.08 -0.43 1.56 -0.62 0.00 0.00 178.44 178.84 3hgj h GLN 152 N 0.05 0.00 -0.42 1.25 1.08 -0.87 0.95 115.11 117.15 3hgj h GLN 152 Ca 0.18 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.25 3hgj h GLN 152 Cb 0.26 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 3hgj h GLN 152 CO -0.34 0.43 -0.25 0.00 -0.95 0.00 0.00 178.83 177.72 3hgj h ALA 153 N 1.57 0.77 -0.31 3.87 0.00 -0.64 0.20 119.26 124.72 3hgj h ALA 153 Ca -0.00 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.56 3hgj h ALA 153 Cb 0.77 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3hgj h ALA 153 CO 0.06 0.66 0.02 0.74 0.00 0.00 0.00 179.25 180.72 3hgj h PHE 154 N 0.74 0.02 -0.61 0.00 0.04 -0.47 0.19 116.94 116.85 3hgj h PHE 154 Ca 0.09 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.89 3hgj h PHE 154 Cb 0.80 0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.96 3hgj h PHE 154 CO 0.05 -0.03 0.38 0.28 -0.60 0.00 0.00 178.31 178.39 3hgj h VAL 155 N 0.11 1.17 -0.19 -0.55 2.07 -0.54 -1.09 116.25 117.24 3hgj h VAL 155 Ca 0.15 -0.35 -0.19 0.00 0.82 0.00 0.00 66.70 67.13 3hgj h VAL 155 Cb 0.19 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3hgj h VAL 155 CO -0.23 0.17 -0.63 -0.08 0.02 0.00 0.00 177.57 176.82 3hgj h GLU 156 N 0.82 0.68 -0.42 1.57 4.57 -0.54 -2.03 114.58 119.24 3hgj h GLU 156 Ca 0.22 -0.48 -0.08 0.00 -1.18 0.00 0.00 59.36 57.84 3hgj h GLU 156 Cb -0.05 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.59 3hgj h GLU 156 CO -0.04 1.10 -0.07 0.78 -1.18 0.00 0.00 179.01 179.60 3hgj h GLY 157 N 0.88 0.79 0.91 1.92 0.00 -0.45 -0.31 103.07 106.81 3hgj h GLY 157 Ca -0.01 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 3hgj h GLY 157 CO 0.13 0.51 0.11 0.00 0.00 0.00 0.00 176.54 177.29 3hgj h ALA 158 N 1.25 0.34 -0.59 3.60 0.00 -1.09 -0.18 119.26 122.60 3hgj h ALA 158 Ca 0.12 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3hgj h ALA 158 Cb 0.51 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3hgj h ALA 158 CO 0.03 -0.08 0.26 0.00 0.00 0.00 0.00 179.25 179.46 3hgj h ARG 159 N 0.28 0.47 -0.57 0.00 3.08 -1.04 -1.24 114.38 115.34 3hgj h ARG 159 Ca 0.09 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3hgj h ARG 159 Cb 0.16 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 3hgj h ARG 159 CO -0.01 0.31 0.37 -0.09 -1.07 0.00 0.00 179.97 179.48 3hgj h ARG 160 N 0.48 0.76 -0.15 0.04 2.43 -0.90 -1.27 114.38 115.78 3hgj h ARG 160 Ca 0.28 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.43 3hgj h ARG 160 Cb 0.27 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3hgj h ARG 160 CO -0.24 0.53 -0.05 0.00 -1.51 0.00 0.00 179.97 178.69 3hgj h ALA 161 N 1.19 0.08 -0.22 2.80 0.00 -0.48 -0.98 119.26 121.66 3hgj h ALA 161 Ca 0.21 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.23 3hgj h ALA 161 Cb -0.06 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3hgj h ALA 161 CO -0.04 -0.50 -0.10 -0.07 0.00 0.00 0.00 179.25 178.54 3hgj h LEU 162 N -0.03 -0.33 -1.70 0.00 3.38 -1.15 -1.02 115.31 114.47 3hgj h LEU 162 Ca 0.08 0.08 0.10 0.00 0.09 0.00 0.00 57.88 58.23 3hgj h LEU 162 Cb 0.14 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3hgj h LEU 162 CO -0.17 -0.13 0.38 0.03 0.09 0.00 0.00 178.44 178.65 3hgj h ARG 163 N -0.07 0.33 -0.00 1.13 3.08 -0.93 0.21 114.38 118.13 3hgj h ARG 163 Ca 0.12 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3hgj h ARG 163 Cb 0.24 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.22 3hgj h ARG 163 CO -0.26 0.22 -0.02 0.00 -1.07 0.00 0.00 179.97 178.84 3hgj n ALA 164 N -2.54 2.55 -0.37 0.04 0.00 -0.40 -4.90 120.51 114.90 3hgj n ALA 164 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3hgj n ALA 164 Cb 0.39 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3hgj n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgj n GLY 165 N 1.26 0.79 3.77 0.00 0.00 0.73 -4.23 105.19 107.51 3hgj n GLY 165 Ca 0.15 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 3hgj n GLY 165 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hgj s PHE 166 N -2.00 3.36 -0.11 1.61 0.08 -0.43 -4.85 117.98 115.63 3hgj s PHE 166 Ca 0.00 1.66 0.03 0.00 0.12 0.00 0.00 56.93 58.74 3hgj s PHE 166 Cb 0.00 -3.21 -0.04 0.00 -0.57 0.00 0.00 43.02 39.20 3hgj s PHE 166 CO 0.00 -0.66 0.12 1.04 -0.10 0.00 0.00 175.22 175.62 3hgj n GLN 167 N 0.40 4.50 -4.66 0.44 6.02 0.32 -4.33 117.38 120.07 3hgj n GLN 167 Ca 0.03 -0.01 -0.25 0.00 -0.01 0.00 0.00 57.00 56.76 3hgj n GLN 167 Cb 0.48 -0.76 -0.16 0.00 1.02 0.00 0.00 30.24 30.82 3hgj n GLN 167 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3hgj s VAL 168 N -1.53 1.22 -0.17 5.09 1.01 -1.20 -3.75 120.40 121.07 3hgj s VAL 168 Ca 0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3hgj s VAL 168 Cb 0.02 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 3hgj s VAL 168 CO 0.13 0.37 -0.06 -0.63 0.00 0.00 0.00 175.10 174.91 3hgj s ILE 169 N 0.43 3.57 -0.10 2.22 -1.09 -0.76 -2.35 121.20 123.13 3hgj s ILE 169 Ca -0.11 -0.46 -0.01 0.00 -2.23 0.00 0.00 60.65 57.85 3hgj s ILE 169 Cb -0.14 -2.57 -0.03 0.00 -1.58 0.00 0.00 42.46 38.14 3hgj s ILE 169 CO 0.03 0.48 -0.06 -0.70 -1.23 0.00 0.00 174.94 173.46 3hgj s GLU 170 N 0.66 3.04 -0.23 2.79 2.12 -0.42 -0.62 118.70 126.04 3hgj s GLU 170 Ca -0.03 -0.54 -0.12 0.00 0.36 0.00 0.00 54.97 54.63 3hgj s GLU 170 Cb -0.15 -2.68 -0.05 0.00 0.26 0.00 0.00 34.13 31.51 3hgj s GLU 170 CO 0.02 0.53 0.24 -0.51 -0.54 0.00 0.00 175.26 175.01 3hgj s LEU 171 N -0.44 4.12 -0.89 2.70 1.43 -0.73 0.47 118.68 125.34 3hgj s LEU 171 Ca 0.07 0.24 -0.23 0.00 -1.03 0.00 0.00 54.13 53.18 3hgj s LEU 171 Cb -0.12 -2.24 0.07 0.00 0.03 0.00 0.00 46.19 43.92 3hgj s LEU 171 CO 0.02 0.01 1.27 -2.28 0.23 0.00 0.00 176.35 175.60 3hgj s HIS 172 N 1.20 2.64 -0.51 0.29 5.65 -0.42 -1.11 115.29 123.03 3hgj s HIS 172 Ca 0.11 -0.77 0.02 0.00 0.25 0.00 0.00 55.06 54.68 3hgj s HIS 172 Cb -0.14 -4.53 0.47 0.00 -1.18 0.00 0.00 32.58 27.20 3hgj s HIS 172 CO 0.06 -1.82 1.72 -1.33 -0.65 0.00 0.00 174.74 172.72 3hgj n MET 173 N 8.27 2.90 -4.41 2.88 2.81 0.26 -4.62 117.12 125.20 3hgj n MET 173 Ca 0.19 -3.55 -0.22 0.00 -1.81 0.00 0.00 57.70 52.31 3hgj n MET 173 Cb 0.49 -2.25 -0.08 0.00 -0.71 0.00 0.00 33.22 30.67 3hgj n MET 173 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hgj s ALA 174 N -3.69 2.42 -1.61 3.04 0.00 -1.18 -3.61 121.76 117.13 3hgj s ALA 174 Ca 0.59 -1.58 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 3hgj s ALA 174 Cb 0.47 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.60 3hgj s ALA 174 CO 0.01 -0.45 0.35 0.72 0.00 0.00 0.00 175.76 176.39 3hgj n HIS 175 N -0.75 -1.53 -1.14 0.00 8.25 -1.21 -2.78 115.22 116.06 3hgj n HIS 175 Ca -0.01 0.30 -0.05 0.00 -0.26 0.00 0.00 57.72 57.70 3hgj n HIS 175 Cb 0.64 -4.21 -0.02 0.00 1.12 0.00 0.00 29.99 27.52 3hgj n HIS 175 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hgj n GLY 176 N -1.31 0.66 0.69 -1.41 0.00 -1.25 -4.31 105.19 98.26 3hgj n GLY 176 Ca -0.16 -0.19 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 3hgj n GLY 176 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hgj n TYR 177 N -2.52 -4.00 -0.11 1.61 4.01 -1.12 -4.42 117.16 110.61 3hgj n TYR 177 Ca -0.05 -0.21 -0.12 0.00 -0.16 0.00 0.00 57.90 57.36 3hgj n TYR 177 Cb 0.33 -0.18 -0.07 0.00 -0.31 0.00 0.00 39.34 39.11 3hgj n TYR 177 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3hgj h LEU 178 N 0.00 -1.57 -0.03 7.72 5.85 -1.10 0.93 115.31 127.10 3hgj h LEU 178 Ca -0.08 0.22 -0.24 0.00 0.84 0.00 0.00 57.88 58.63 3hgj h LEU 178 Cb 0.21 0.66 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 3hgj h LEU 178 CO 0.05 -0.39 -1.07 -0.07 -0.34 0.00 0.00 178.44 176.62 3hgj h LEU 179 N -0.38 0.28 -0.63 2.25 3.38 -1.82 -2.36 115.31 116.03 3hgj h LEU 179 Ca 0.11 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 57.85 3hgj h LEU 179 Cb 0.60 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3hgj h LEU 179 CO -0.56 1.17 0.35 -1.28 0.09 0.00 0.00 178.44 178.21 3hgj h SER 180 N 0.07 0.51 0.41 -0.43 0.87 -1.51 -2.65 113.55 110.82 3hgj h SER 180 Ca -0.08 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 3hgj h SER 180 Cb 1.78 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 63.66 3hgj h SER 180 CO 0.17 0.33 -0.13 0.77 -0.53 0.00 0.00 176.83 177.44 3hgj h SER 181 N 0.64 0.00 0.15 6.23 4.64 -0.30 -2.34 113.55 122.58 3hgj h SER 181 Ca 0.28 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.37 3hgj h SER 181 Cb 0.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.27 3hgj h SER 181 CO -0.18 0.13 -0.94 -0.26 -0.87 0.00 0.00 176.83 174.71 3hgj h PHE 182 N 0.00 0.82 -0.45 4.77 0.04 -1.22 -3.24 116.94 117.67 3hgj h PHE 182 Ca -0.00 -0.43 -0.04 0.00 2.80 0.00 0.00 57.97 60.30 3hgj h PHE 182 Cb 0.37 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.40 3hgj h PHE 182 CO 0.00 1.25 0.14 -0.07 -0.60 0.00 0.00 178.31 179.03 3hgj h LEU 183 N 0.33 0.66 -9.50 1.54 3.38 -1.22 -3.43 115.31 107.08 3hgj h LEU 183 Ca -0.09 -0.21 -0.53 0.00 0.09 0.00 0.00 57.88 57.14 3hgj h LEU 183 Cb 1.58 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 3hgj h LEU 183 CO 0.17 0.69 0.28 -0.55 0.09 0.00 0.00 178.44 179.13 3hgj s SER 184 N -6.01 7.34 0.00 -0.43 0.15 -0.96 -4.83 113.70 108.95 3hgj s SER 184 Ca -0.13 1.61 0.25 0.00 0.70 0.00 0.00 55.95 58.38 3hgj s SER 184 Cb 0.11 -2.53 1.22 0.00 -1.71 0.00 0.00 66.02 63.11 3hgj s SER 184 CO 0.77 -0.10 1.83 -0.81 1.20 0.00 0.00 173.24 176.13 3hgj n PRO 185 N 3.16 0.30 0.23 5.44 -0.04 -1.26 -0.92 135.00 141.90 3hgj n PRO 185 Ca 0.02 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.65 3hgj n PRO 185 Cb 0.50 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.90 3hgj n PRO 185 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3hgj h LEU 186 N 0.00 0.00 0.00 1.53 3.38 -1.91 -3.30 115.31 115.01 3hgj h LEU 186 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hgj h LEU 186 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hgj h LEU 186 CO 0.00 0.14 -0.06 -1.54 0.09 0.00 0.00 178.44 177.07 3hgj n SER 187 N -3.23 0.30 -4.07 -0.43 3.41 -1.10 -5.00 113.62 103.51 3hgj n SER 187 Ca 0.01 -0.36 -0.32 0.00 -0.26 0.00 0.00 58.87 57.94 3hgj n SER 187 Cb 0.44 0.79 -0.16 0.00 -0.26 0.00 0.00 64.21 65.01 3hgj n SER 187 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hgj s ASN 188 N -0.85 3.28 -0.01 4.04 3.84 -0.10 -4.15 114.94 121.00 3hgj s ASN 188 Ca 0.00 -0.77 0.02 0.00 0.21 0.00 0.00 52.86 52.32 3hgj s ASN 188 Cb 0.00 -1.39 0.03 0.00 -0.55 0.00 0.00 41.25 39.34 3hgj s ASN 188 CO 0.00 -0.06 0.80 1.67 -2.79 0.00 0.00 177.10 176.72 3hgj n GLN 189 N 4.63 1.15 -1.73 0.43 -0.06 -1.26 -4.44 117.38 116.10 3hgj n GLN 189 Ca -0.18 -1.12 -0.39 0.00 -2.00 0.00 0.00 57.00 53.31 3hgj n GLN 189 Cb 0.48 -0.77 0.03 0.00 -4.06 0.00 0.00 30.24 25.92 3hgj n GLN 189 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3hgj n ARG 190 N -0.32 1.83 -0.13 3.69 1.74 -1.26 -4.83 116.66 117.39 3hgj n ARG 190 Ca 0.02 0.66 0.10 0.00 -0.77 0.00 0.00 57.85 57.86 3hgj n ARG 190 Cb 0.46 -2.52 0.16 0.00 -1.02 0.00 0.00 32.46 29.53 3hgj n ARG 190 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3hgj n THR 191 N -0.69 0.41 -1.07 0.55 -2.24 -1.26 -2.69 114.28 107.29 3hgj n THR 191 Ca 0.08 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3hgj n THR 191 Cb 0.43 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.69 3hgj n THR 191 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3hgj n ASP 192 N 1.19 0.00 0.00 3.42 5.75 -1.26 -4.91 116.55 120.74 3hgj n ASP 192 Ca 0.15 -0.37 0.05 0.00 -0.01 0.00 0.00 54.79 54.61 3hgj n ASP 192 Cb 0.52 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.86 3hgj n ASP 192 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hgj n ALA 193 N -3.00 1.67 0.60 2.12 0.00 -1.26 -3.13 120.51 117.51 3hgj n ALA 193 Ca 0.00 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.47 3hgj n ALA 193 Cb 0.00 -1.15 0.07 0.00 0.00 0.00 0.00 19.45 18.37 3hgj n ALA 193 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hgj n TYR 194 N -1.20 0.03 -4.15 0.00 4.01 -1.26 -4.50 117.16 110.08 3hgj n TYR 194 Ca 0.05 -0.02 -0.10 0.00 -0.16 0.00 0.00 57.90 57.67 3hgj n TYR 194 Cb 0.06 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 3hgj n TYR 194 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hgj n GLY 195 N 0.86 3.45 3.53 2.72 0.00 -1.18 -3.57 105.19 111.00 3hgj n GLY 195 Ca 0.09 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.32 3hgj n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hgj n GLY 196 N -0.29 1.51 3.85 -0.02 0.00 -1.09 -4.56 105.19 104.58 3hgj n GLY 196 Ca 0.04 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 3hgj n GLY 196 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hgj s SER 197 N -4.00 5.19 0.21 1.61 1.04 -1.26 -4.82 113.70 111.67 3hgj s SER 197 Ca 0.00 1.29 -0.10 0.00 0.48 0.00 0.00 55.95 57.62 3hgj s SER 197 Cb 0.00 -2.10 0.25 0.00 0.10 0.00 0.00 66.02 64.26 3hgj s SER 197 CO 0.00 -1.52 1.78 0.25 0.98 0.00 0.00 173.24 174.73 3hgj h LEU 198 N -0.78 0.42 -0.36 2.42 5.85 -1.96 0.13 115.31 121.02 3hgj h LEU 198 Ca -0.45 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.38 3hgj h LEU 198 Cb 1.25 -0.03 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 3hgj h LEU 198 CO 0.61 0.26 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.82 3hgj h GLU 199 N 0.56 0.01 -0.17 1.25 4.57 -1.97 -2.09 114.58 116.74 3hgj h GLU 199 Ca 0.29 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.44 3hgj h GLU 199 Cb 0.26 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 3hgj h GLU 199 CO -0.22 0.01 -0.04 -0.91 -1.18 0.00 0.00 179.01 176.67 3hgj h ASN 200 N 0.01 0.33 -0.05 1.04 2.35 -1.66 -2.78 115.58 114.82 3hgj h ASN 200 Ca 0.18 -0.36 0.02 0.00 -0.55 0.00 0.00 56.30 55.58 3hgj h ASN 200 Cb 0.26 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 3hgj h ASN 200 CO -0.36 0.62 0.04 0.03 -1.65 0.00 0.00 177.43 176.11 3hgj h ARG 201 N 0.04 0.00 0.00 0.81 3.08 -0.84 -1.03 114.38 116.45 3hgj h ARG 201 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3hgj h ARG 201 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3hgj h ARG 201 CO 0.02 0.00 -0.19 0.52 -1.07 0.00 0.00 179.97 179.25 3hgj h MET 202 N 0.00 0.00 0.30 0.04 2.86 -1.31 -3.31 114.93 113.51 3hgj h MET 202 Ca 0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 3hgj h MET 202 Cb 0.11 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 3hgj h MET 202 CO -0.00 0.00 -0.35 -0.09 1.06 0.00 0.00 176.91 177.53 3hgj h ARG 203 N 0.00 -0.67 0.01 1.72 2.43 -0.90 0.17 114.38 117.15 3hgj h ARG 203 Ca 0.00 0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3hgj h ARG 203 Cb 0.94 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3hgj h ARG 203 CO 0.00 -0.44 -0.01 0.35 -1.51 0.00 0.00 179.97 178.36 3hgj h PHE 204 N -0.69 -0.02 -0.71 2.20 3.57 -1.77 -0.39 116.94 119.14 3hgj h PHE 204 Ca -0.01 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.61 3hgj h PHE 204 Cb 0.64 0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.30 3hgj h PHE 204 CO -0.22 0.12 0.29 -1.35 -2.23 0.00 0.00 178.31 174.92 3hgj h PRO 205 N -0.15 0.45 0.00 6.41 0.11 -1.76 -0.97 132.00 136.08 3hgj h PRO 205 Ca -0.00 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 3hgj h PRO 205 Cb 0.15 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 3hgj h PRO 205 CO 0.00 0.30 -0.34 -0.07 -0.21 0.00 0.00 178.00 177.68 3hgj h LEU 206 N 0.47 0.00 -0.29 2.35 3.38 -0.32 -1.17 115.31 119.72 3hgj h LEU 206 Ca 0.37 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.19 3hgj h LEU 206 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hgj h LEU 206 CO -0.35 0.34 -0.42 1.56 0.09 0.00 0.00 178.44 179.66 3hgj h GLN 207 N 0.00 0.80 0.21 1.13 4.20 0.17 -1.14 115.11 120.47 3hgj h GLN 207 Ca -0.00 -0.47 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 3hgj h GLN 207 Cb 0.72 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.54 3hgj h GLN 207 CO 0.04 1.10 -0.10 0.28 -0.67 0.00 0.00 178.83 179.49 3hgj h VAL 208 N 0.56 0.80 -0.69 -0.54 2.07 -0.77 -0.31 116.25 117.38 3hgj h VAL 208 Ca 0.03 -0.01 0.13 0.00 0.82 0.00 0.00 66.70 67.67 3hgj h VAL 208 Cb 1.01 0.81 -0.13 0.00 -1.52 0.00 0.00 31.29 31.46 3hgj h VAL 208 CO 0.10 0.00 -0.25 0.00 0.02 0.00 0.00 177.57 177.44 3hgj h ALA 209 N 0.51 0.26 -0.56 1.67 0.00 -1.16 0.44 119.26 120.43 3hgj h ALA 209 Ca -0.03 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3hgj h ALA 209 Cb 0.22 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3hgj h ALA 209 CO 0.05 -0.52 0.27 0.37 0.00 0.00 0.00 179.25 179.41 3hgj h GLN 210 N -0.06 0.81 -0.43 0.00 4.15 -0.84 -0.54 115.11 118.20 3hgj h GLN 210 Ca 0.31 -0.12 -0.15 0.00 0.77 0.00 0.00 58.65 59.45 3hgj h GLN 210 Cb 0.55 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.08 3hgj h GLN 210 CO -0.74 0.67 -0.32 0.00 -1.93 0.00 0.00 178.83 176.51 3hgj h ALA 211 N 1.10 0.62 -0.37 3.38 0.00 -0.10 -2.10 119.26 121.79 3hgj h ALA 211 Ca 0.19 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 3hgj h ALA 211 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3hgj h ALA 211 CO -0.02 0.68 -0.27 0.28 0.00 0.00 0.00 179.25 179.91 3hgj h VAL 212 N 0.81 1.28 -0.51 0.00 2.07 -0.95 -3.07 116.25 115.89 3hgj h VAL 212 Ca 0.08 -1.43 0.15 0.00 0.82 0.00 0.00 66.70 66.32 3hgj h VAL 212 Cb 0.91 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 3hgj h VAL 212 CO 0.08 0.47 0.36 -0.09 0.02 0.00 0.00 177.57 178.42 3hgj h ARG 213 N 0.62 0.00 0.00 1.57 9.65 -0.79 -1.39 114.38 124.05 3hgj h ARG 213 Ca 0.07 0.00 -0.11 0.00 -1.10 0.00 0.00 59.98 58.84 3hgj h ARG 213 Cb 0.84 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.41 3hgj h ARG 213 CO 0.07 0.00 -0.54 0.93 2.80 0.00 0.00 179.97 183.23 3hgj h GLU 214 N 0.00 0.00 -0.00 0.20 5.08 -1.28 -3.21 114.58 115.37 3hgj h GLU 214 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3hgj h GLU 214 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 3hgj h GLU 214 CO -0.00 0.54 -0.86 1.33 -1.00 0.00 0.00 179.01 179.01 3hgj n VAL 215 N -3.74 0.00 -3.33 3.13 0.24 -0.57 -4.76 118.33 109.30 3hgj n VAL 215 Ca -0.01 -0.07 -0.43 0.00 -2.04 0.00 0.00 64.34 61.79 3hgj n VAL 215 Cb 0.58 1.06 -0.08 0.00 -1.47 0.00 0.00 33.84 33.92 3hgj n VAL 215 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3hgj s VAL 216 N -2.85 5.10 0.10 3.34 1.01 -0.94 -4.88 120.40 121.29 3hgj s VAL 216 Ca 0.10 -0.51 -0.34 0.00 0.00 0.00 0.00 61.98 61.23 3hgj s VAL 216 Cb 0.16 -4.07 -0.18 0.00 0.00 0.00 0.00 36.38 32.29 3hgj s VAL 216 CO 0.79 -0.48 0.91 -2.65 0.00 0.00 0.00 175.10 173.67 3hgj n PRO 217 N 5.56 0.26 -0.29 2.72 -0.02 -1.26 -4.85 135.00 137.12 3hgj n PRO 217 Ca -0.08 0.09 0.19 0.00 -2.02 0.00 0.00 63.50 61.67 3hgj n PRO 217 Cb 0.46 -1.43 0.35 0.00 -0.02 0.00 0.00 33.50 32.87 3hgj n PRO 217 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3hgj n ARG 218 N 1.40 -0.06 0.34 -0.52 1.85 -1.26 -0.64 116.66 117.76 3hgj n ARG 218 Ca 0.18 1.24 0.22 0.00 -1.00 0.00 0.00 57.85 58.49 3hgj n ARG 218 Cb 0.17 -2.07 1.19 0.00 -1.05 0.00 0.00 32.46 30.70 3hgj n ARG 218 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 3hgj h GLU 219 N 0.00 0.00 -5.10 2.89 9.09 -1.92 -3.36 114.58 116.18 3hgj h GLU 219 Ca 0.60 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 59.39 3hgj h GLU 219 Cb 1.41 0.00 -0.15 0.00 -1.65 0.00 0.00 28.75 28.35 3hgj h GLU 219 CO -0.74 0.00 -0.52 -0.51 0.05 0.00 0.00 179.01 177.28 3hgj s LEU 220 N -6.21 4.01 0.21 3.06 1.43 0.19 0.58 118.68 121.95 3hgj s LEU 220 Ca -0.05 0.08 -0.32 0.00 -1.03 0.00 0.00 54.13 52.81 3hgj s LEU 220 Cb 0.13 -2.07 -0.12 0.00 0.03 0.00 0.00 46.19 44.16 3hgj s LEU 220 CO 0.41 0.07 1.70 -2.84 0.23 0.00 0.00 176.35 175.92 3hgj s PRO 221 N 1.01 4.13 -0.31 1.29 0.02 -1.25 -4.81 135.00 135.09 3hgj s PRO 221 Ca 0.07 2.59 -0.11 0.00 0.02 0.00 0.00 61.00 63.56 3hgj s PRO 221 Cb -0.13 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 3hgj s PRO 221 CO 0.04 -0.73 0.20 -1.17 -0.33 0.00 0.00 177.00 175.01 3hgj s LEU 222 N 1.04 4.23 0.30 -5.54 2.96 -1.26 -1.82 118.68 118.59 3hgj s LEU 222 Ca 0.73 -0.30 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 3hgj s LEU 222 Cb -0.49 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.07 3hgj s LEU 222 CO 0.33 -0.16 0.47 -0.36 -1.32 0.00 0.00 176.35 175.31 3hgj s PHE 223 N 1.71 3.48 -0.05 5.38 0.40 0.21 -0.64 117.98 128.47 3hgj s PHE 223 Ca 0.06 0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.63 3hgj s PHE 223 Cb -0.17 -1.79 0.02 0.00 0.51 0.00 0.00 43.02 41.60 3hgj s PHE 223 CO 0.09 0.25 -0.02 0.08 0.70 0.00 0.00 175.22 176.32 3hgj s VAL 224 N -2.16 0.44 -0.03 -0.44 1.01 -0.54 -1.77 120.40 116.91 3hgj s VAL 224 Ca 0.38 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.16 3hgj s VAL 224 Cb -0.10 -0.51 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 3hgj s VAL 224 CO 0.33 0.22 0.51 -0.60 0.00 0.00 0.00 175.10 175.56 3hgj s ARG 225 N 1.27 4.22 0.06 2.72 3.52 -0.27 0.15 118.95 130.61 3hgj s ARG 225 Ca -0.06 0.57 0.04 0.00 -0.13 0.00 0.00 55.73 56.15 3hgj s ARG 225 Cb -0.14 -3.33 -0.03 0.00 -1.56 0.00 0.00 34.95 29.90 3hgj s ARG 225 CO -0.02 0.41 -0.12 0.54 -0.81 0.00 0.00 175.30 175.30 3hgj s VAL 226 N -0.26 0.90 -0.65 7.11 0.11 -0.51 -0.58 120.40 126.53 3hgj s VAL 226 Ca 0.27 -1.19 -0.25 0.00 -2.93 0.00 0.00 61.98 57.88 3hgj s VAL 226 Cb -0.17 -0.89 0.04 0.00 -1.53 0.00 0.00 36.38 33.83 3hgj s VAL 226 CO 0.14 -0.26 1.11 -0.44 -3.33 0.00 0.00 175.10 172.32 3hgj s SER 227 N -1.62 6.25 0.50 3.54 0.01 -1.26 -0.56 113.70 120.56 3hgj s SER 227 Ca -0.04 -0.47 0.21 0.00 1.31 0.00 0.00 55.95 56.95 3hgj s SER 227 Cb -0.10 -2.50 1.30 0.00 0.21 0.00 0.00 66.02 64.93 3hgj s SER 227 CO 0.02 -1.54 2.07 0.00 0.41 0.00 0.00 173.24 174.19 3hgj h ALA 228 N 9.67 1.54 -3.19 1.44 0.00 -0.89 -3.41 119.26 124.42 3hgj h ALA 228 Ca -0.27 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.25 3hgj h ALA 228 Cb 1.06 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.62 3hgj h ALA 228 CO 1.20 0.16 -0.74 -0.08 0.00 0.00 0.00 179.25 179.79 3hgj s THR 229 N -4.50 0.55 -2.50 0.00 -1.32 -1.26 -3.00 115.64 103.62 3hgj s THR 229 Ca -0.04 -1.07 0.26 0.00 -1.21 0.00 0.00 61.69 59.64 3hgj s THR 229 Cb 0.15 -0.61 0.38 0.00 -1.51 0.00 0.00 72.50 70.90 3hgj s THR 229 CO 0.63 -0.37 1.55 -0.90 -2.21 0.00 0.00 174.62 173.32 3hgj n ASP 230 N 1.49 1.87 0.00 8.08 3.85 -0.76 -0.16 116.55 130.91 3hgj n ASP 230 Ca -0.23 -1.55 0.00 0.00 -0.71 0.00 0.00 54.79 52.31 3hgj n ASP 230 Cb 0.55 0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.37 3hgj n ASP 230 CO 0.00 0.00 0.00 0.79 -1.01 0.00 0.00 177.20 176.98 3hgj n TRP 231 N 0.36 0.00 -3.86 2.11 7.02 -1.26 -4.65 117.44 117.15 3hgj n TRP 231 Ca 0.16 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.29 3hgj n TRP 231 Cb 0.43 -0.49 -0.06 0.00 -2.42 0.00 0.00 31.31 28.77 3hgj n TRP 231 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3hgj s GLY 232 N -2.00 2.19 0.18 6.99 0.00 -1.26 -4.57 107.32 108.85 3hgj s GLY 232 Ca 0.00 -0.66 -0.33 0.00 0.00 0.00 0.00 44.72 43.73 3hgj s GLY 232 CO 0.00 -0.46 1.66 -2.21 0.00 0.00 0.00 173.10 172.10 3hgj n GLU 233 N 1.53 2.49 -0.96 2.90 2.13 -1.26 0.46 120.64 127.93 3hgj n GLU 233 Ca -0.16 0.90 0.00 0.00 0.66 0.00 0.00 57.16 58.56 3hgj n GLU 233 Cb 0.54 -2.71 0.00 0.00 0.27 0.00 0.00 31.44 29.54 3hgj n GLU 233 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hgj n GLY 234 N 3.73 0.54 0.00 8.31 0.00 -1.26 -5.01 105.19 111.50 3hgj n GLY 234 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3hgj n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hgj n GLY 235 N -2.06 -0.57 3.69 -0.02 0.00 0.17 -4.82 105.19 101.59 3hgj n GLY 235 Ca 0.00 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 3hgj n GLY 235 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3hgj s TRP 236 N -0.34 3.27 0.52 1.61 -0.11 -1.26 -4.91 118.94 117.71 3hgj s TRP 236 Ca 0.00 1.28 0.05 0.00 1.22 0.00 0.00 56.10 58.65 3hgj s TRP 236 Cb 0.00 -3.39 0.02 0.00 -1.50 0.00 0.00 33.47 28.60 3hgj s TRP 236 CO 0.00 -1.17 0.31 -1.54 -4.62 0.00 0.00 176.95 169.93 3hgj s SER 237 N 1.37 4.54 0.24 5.86 1.04 -1.26 -1.83 113.70 123.65 3hgj s SER 237 Ca 0.56 -1.28 -0.06 0.00 0.48 0.00 0.00 55.95 55.64 3hgj s SER 237 Cb -0.25 0.30 0.30 0.00 0.10 0.00 0.00 66.02 66.47 3hgj s SER 237 CO 0.23 -0.98 1.86 0.25 0.98 0.00 0.00 173.24 175.58 3hgj h LEU 238 N 0.94 0.85 -0.71 2.42 5.85 -1.93 -1.71 115.31 121.02 3hgj h LEU 238 Ca -0.39 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 3hgj h LEU 238 Cb 1.30 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 3hgj h LEU 238 CO 0.62 0.56 0.32 -0.33 -0.34 0.00 0.00 178.44 179.26 3hgj h GLU 239 N 0.99 1.05 -0.17 1.25 4.39 -1.96 0.42 114.58 120.55 3hgj h GLU 239 Ca 0.36 -0.17 0.05 0.00 0.34 0.00 0.00 59.36 59.94 3hgj h GLU 239 Cb 0.11 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.53 3hgj h GLU 239 CO -0.15 0.84 -0.16 -0.44 -1.16 0.00 0.00 179.01 177.94 3hgj h ASP 240 N 1.01 -0.51 -0.79 1.42 3.32 -1.77 -2.06 116.42 117.03 3hgj h ASP 240 Ca 0.24 0.10 0.13 0.00 0.02 0.00 0.00 57.03 57.52 3hgj h ASP 240 Cb 0.16 0.25 -0.09 0.00 0.22 0.00 0.00 39.33 39.87 3hgj h ASP 240 CO -0.03 -0.21 0.39 0.74 -1.72 0.00 0.00 179.24 178.41 3hgj h THR 241 N -0.18 0.76 -0.32 0.35 2.02 -0.43 0.06 112.91 115.17 3hgj h THR 241 Ca 0.11 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.12 3hgj h THR 241 Cb 0.34 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3hgj h THR 241 CO -0.28 0.11 0.12 -0.07 0.37 0.00 0.00 175.52 175.77 3hgj h LEU 242 N 0.59 0.14 -0.48 2.58 3.38 -0.59 0.49 115.31 121.42 3hgj h LEU 242 Ca 0.42 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.44 3hgj h LEU 242 Cb 0.55 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3hgj h LEU 242 CO -0.34 0.12 0.28 0.00 0.09 0.00 0.00 178.44 178.59 3hgj h ALA 243 N 1.19 0.61 -0.33 1.53 0.00 -0.50 -0.83 119.26 120.94 3hgj h ALA 243 Ca 0.14 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3hgj h ALA 243 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hgj h ALA 243 CO -0.14 -0.03 0.05 0.35 0.00 0.00 0.00 179.25 179.48 3hgj h PHE 244 N 0.56 0.59 -0.57 0.00 3.57 -0.77 -2.50 116.94 117.81 3hgj h PHE 244 Ca 0.19 -0.08 0.07 0.00 3.53 0.00 0.00 57.97 61.68 3hgj h PHE 244 Cb 0.03 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.54 3hgj h PHE 244 CO -0.07 0.63 0.24 0.00 -2.23 0.00 0.00 178.31 176.88 3hgj h ALA 245 N 0.89 0.73 -0.72 2.41 0.00 0.12 0.32 119.26 123.01 3hgj h ALA 245 Ca 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hgj h ALA 245 Cb 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 3hgj h ALA 245 CO 0.01 -0.15 0.44 -0.09 0.00 0.00 0.00 179.25 179.46 3hgj h ARG 246 N 0.45 0.97 -0.51 0.00 2.43 -0.86 -0.01 114.38 116.86 3hgj h ARG 246 Ca 0.27 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.26 3hgj h ARG 246 Cb 0.28 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3hgj h ARG 246 CO -0.25 0.69 -0.06 0.00 -1.51 0.00 0.00 179.97 178.84 3hgj h ARG 247 N 0.98 0.94 -0.32 0.20 2.47 -0.90 -1.70 114.38 116.06 3hgj h ARG 247 Ca 0.26 -0.33 0.03 0.00 -1.26 0.00 0.00 59.98 58.68 3hgj h ARG 247 Cb -0.04 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.17 3hgj h ARG 247 CO -0.05 0.99 0.12 -0.07 0.56 0.00 0.00 179.97 181.52 3hgj h LEU 248 N 0.81 0.13 -0.69 3.04 3.38 -0.72 -1.36 115.31 119.90 3hgj h LEU 248 Ca 0.14 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.20 3hgj h LEU 248 Cb 0.60 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.31 3hgj h LEU 248 CO 0.04 0.11 0.38 0.50 0.09 0.00 0.00 178.44 179.56 3hgj h LYS 249 N 0.26 0.68 -0.24 1.13 3.64 -0.69 0.25 116.57 121.60 3hgj h LYS 249 Ca 0.14 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.55 3hgj h LYS 249 Cb 0.11 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3hgj h LYS 249 CO -0.14 0.45 0.18 0.93 -2.27 0.00 0.00 179.45 178.60 3hgj h GLU 250 N 0.70 0.00 -0.04 1.90 5.08 -0.89 -2.51 114.58 118.82 3hgj h GLU 250 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3hgj h GLU 250 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hgj h GLU 250 CO -0.19 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.10 3hgj n LEU 251 N -4.42 1.51 0.00 1.33 4.77 0.86 -4.92 117.00 116.12 3hgj n LEU 251 Ca 0.03 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3hgj n LEU 251 Cb 0.33 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3hgj n LEU 251 CO 0.35 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3hgj n GLY 252 N 1.16 0.71 3.75 -0.72 0.00 -0.95 -4.92 105.19 104.23 3hgj n GLY 252 Ca 0.19 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3hgj n GLY 252 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hgj s VAL 253 N -2.00 2.70 -0.05 1.61 1.01 -1.01 -4.82 120.40 117.84 3hgj s VAL 253 Ca 0.00 0.59 0.13 0.00 0.00 0.00 0.00 61.98 62.70 3hgj s VAL 253 Cb 0.00 -3.38 -0.14 0.00 0.00 0.00 0.00 36.38 32.87 3hgj s VAL 253 CO 0.00 0.10 1.04 0.44 0.00 0.00 0.00 175.10 176.67 3hgj h ASP 254 N 4.94 0.00 -3.37 3.32 5.19 -1.23 -3.42 116.42 121.86 3hgj h ASP 254 Ca -0.46 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 55.96 3hgj h ASP 254 Cb 1.22 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.50 3hgj h ASP 254 CO 0.77 0.78 0.18 -0.22 -3.12 0.00 0.00 179.24 177.62 3hgj s LEU 255 N -6.25 -0.73 -0.27 1.55 0.20 -1.18 -4.05 118.68 107.94 3hgj s LEU 255 Ca -0.01 1.30 -0.10 0.00 0.69 0.00 0.00 54.13 56.01 3hgj s LEU 255 Cb 0.09 2.26 -0.05 0.00 -0.43 0.00 0.00 46.19 48.06 3hgj s LEU 255 CO 0.80 -0.22 0.17 -0.22 -0.29 0.00 0.00 176.35 176.59 3hgj s LEU 256 N 0.87 3.91 -0.43 -0.68 2.96 -0.56 -1.47 118.68 123.29 3hgj s LEU 256 Ca -0.04 -0.04 -0.19 0.00 -0.22 0.00 0.00 54.13 53.63 3hgj s LEU 256 Cb -0.05 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.58 3hgj s LEU 256 CO -0.09 -0.04 0.57 -0.62 -1.32 0.00 0.00 176.35 174.85 3hgj s ASP 257 N 1.72 6.28 -0.52 3.68 3.68 0.12 -1.42 116.67 130.21 3hgj s ASP 257 Ca 0.07 -0.41 -0.15 0.00 2.13 0.00 0.00 52.55 54.18 3hgj s ASP 257 Cb -0.16 -2.29 0.12 0.00 -1.45 0.00 0.00 42.92 39.14 3hgj s ASP 257 CO 0.09 -0.70 0.46 0.00 0.13 0.00 0.00 175.17 175.16 3hgj n SER 259 N 5.21 1.42 -3.54 0.00 2.88 0.27 -4.26 113.62 115.61 3hgj n SER 259 Ca -0.13 -0.57 -0.12 0.00 -1.33 0.00 0.00 58.87 56.71 3hgj n SER 259 Cb 0.41 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.83 3hgj n SER 259 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3hgj s SER 260 N -0.39 -0.42 0.59 -3.46 1.04 -1.26 -0.14 113.70 109.66 3hgj s SER 260 Ca 0.00 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.37 3hgj s SER 260 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3hgj s SER 260 CO 0.00 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 173.97 3hgj n GLY 261 N -0.10 -0.07 3.86 7.32 0.00 0.77 -4.76 105.19 112.21 3hgj n GLY 261 Ca -0.17 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.82 3hgj n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hgj n GLY 262 N 0.00 2.62 0.08 -0.02 0.00 -1.26 -3.30 105.19 103.31 3hgj n GLY 262 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3hgj n GLY 262 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hgj h VAL 263 N 0.00 0.92 -2.84 1.61 2.07 -1.86 -3.32 116.25 112.82 3hgj h VAL 263 Ca 0.00 0.00 -0.49 0.00 0.82 0.00 0.00 66.70 67.03 3hgj h VAL 263 Cb 0.00 0.92 -0.14 0.00 -1.52 0.00 0.00 31.29 30.55 3hgj h VAL 263 CO 0.00 0.00 -0.58 0.68 0.02 0.00 0.00 177.57 177.69 3hgj s VAL 264 N -6.18 0.93 -0.13 2.57 -7.23 -1.26 -4.75 120.40 104.36 3hgj s VAL 264 Ca -0.13 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 57.94 3hgj s VAL 264 Cb 0.06 -2.63 -0.25 0.00 0.56 0.00 0.00 36.38 34.12 3hgj s VAL 264 CO 0.66 0.00 0.36 0.18 -0.31 0.00 0.00 175.10 175.99 3hgj n LEU 265 N -0.74 2.52 -1.89 1.32 4.77 -1.26 -4.63 117.00 117.09 3hgj n LEU 265 Ca -0.03 0.25 -0.07 0.00 -0.03 0.00 0.00 56.01 56.12 3hgj n LEU 265 Cb 0.66 -1.11 -0.10 0.00 -2.33 0.00 0.00 43.42 40.54 3hgj n LEU 265 CO 0.40 0.77 1.31 0.54 -1.33 0.00 0.00 177.39 179.08 3hgj n ARG 266 N -3.63 1.51 -4.35 3.23 5.12 -1.26 -4.83 116.66 112.45 3hgj n ARG 266 Ca -0.32 -0.61 -0.18 0.00 -1.93 0.00 0.00 57.85 54.81 3hgj n ARG 266 Cb 1.00 -1.66 -0.10 0.00 -1.16 0.00 0.00 32.46 30.54 3hgj n ARG 266 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 3hgj s VAL 267 N 0.88 1.58 -0.32 1.55 -7.23 -1.26 -5.07 120.40 110.51 3hgj s VAL 267 Ca 0.41 -2.16 -0.13 0.00 -1.81 0.00 0.00 61.98 58.29 3hgj s VAL 267 Cb 0.19 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.98 3hgj s VAL 267 CO 0.00 -0.53 0.28 -0.60 -0.31 0.00 0.00 175.10 173.94 3hgj s ARG 268 N -3.70 3.65 -0.22 4.82 6.06 -1.26 -5.06 118.95 123.24 3hgj s ARG 268 Ca 0.24 -0.45 -0.04 0.00 -2.50 0.00 0.00 55.73 52.97 3hgj s ARG 268 Cb 0.01 -3.77 -0.01 0.00 0.06 0.00 0.00 34.95 31.25 3hgj s ARG 268 CO 0.07 -0.40 -0.04 0.42 -2.50 0.00 0.00 175.30 172.85 3hgj s ILE 269 N 1.85 3.43 -1.41 4.11 1.01 -1.26 -4.97 121.20 123.96 3hgj s ILE 269 Ca 0.09 -0.47 -0.15 0.00 0.00 0.00 0.00 60.65 60.11 3hgj s ILE 269 Cb -0.17 -2.56 0.05 0.00 0.01 0.00 0.00 42.46 39.79 3hgj s ILE 269 CO 0.11 0.42 2.09 -0.81 0.00 0.00 0.00 174.94 176.75 3hgj n PRO 270 N 4.79 2.93 -1.68 2.79 -0.04 -1.26 -4.94 135.00 137.60 3hgj n PRO 270 Ca -0.18 -2.78 -0.47 0.00 -0.04 0.00 0.00 63.50 60.03 3hgj n PRO 270 Cb 0.51 -3.35 -0.04 0.00 -0.04 0.00 0.00 33.50 30.58 3hgj n PRO 270 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hgj n LEU 271 N 6.78 3.32 -3.55 1.53 4.77 -1.26 -4.84 117.00 123.76 3hgj n LEU 271 Ca 0.51 1.02 -0.08 0.00 -0.03 0.00 0.00 56.01 57.43 3hgj n LEU 271 Cb 0.41 -1.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.07 3hgj n LEU 271 CO 0.86 -0.15 0.60 0.00 -1.33 0.00 0.00 177.39 177.38 3hgj s ALA 272 N 2.52 -1.70 -0.16 -1.18 0.00 -1.26 -5.03 121.76 114.95 3hgj s ALA 272 Ca 0.86 0.64 -0.39 0.00 0.00 0.00 0.00 51.96 53.06 3hgj s ALA 272 Cb -0.67 0.61 -0.16 0.00 0.00 0.00 0.00 23.12 22.89 3hgj s ALA 272 CO 0.44 -0.79 1.58 -2.30 0.00 0.00 0.00 175.76 174.69 3hgj n PRO 273 N -0.33 1.05 -1.67 0.00 -0.02 -1.26 -1.13 135.00 131.64 3hgj n PRO 273 Ca -0.10 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.65 3hgj n PRO 273 Cb 0.62 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 3hgj n PRO 273 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hgj n GLY 274 N 3.53 0.76 0.33 -1.23 0.00 -1.01 -4.91 105.19 102.66 3hgj n GLY 274 Ca 0.24 -0.45 0.22 0.00 0.00 0.00 0.00 46.02 46.02 3hgj n GLY 274 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 3hgj h PHE 275 N 0.00 0.00 -0.03 1.61 -5.15 -1.29 -0.32 116.94 111.77 3hgj h PHE 275 Ca -0.25 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.52 3hgj h PHE 275 Cb 0.93 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.10 3hgj h PHE 275 CO 0.32 0.00 -0.07 1.04 -2.00 0.00 0.00 178.31 177.60 3hgj n GLN 276 N -3.09 2.08 -0.04 6.09 6.02 -1.26 -4.41 117.38 122.77 3hgj n GLN 276 Ca -0.02 -1.75 -0.01 0.00 -0.01 0.00 0.00 57.00 55.21 3hgj n GLN 276 Cb 0.12 -1.45 0.27 0.00 1.02 0.00 0.00 30.24 30.20 3hgj n GLN 276 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3hgj h VAL 277 N 4.23 1.20 -0.92 5.09 2.07 -1.30 -2.48 116.25 124.14 3hgj h VAL 277 Ca 0.00 -0.77 0.13 0.00 0.82 0.00 0.00 66.70 66.88 3hgj h VAL 277 Cb 0.93 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.48 3hgj h VAL 277 CO 0.00 0.27 0.59 -0.65 0.02 0.00 0.00 177.57 177.80 3hgj h PRO 278 N 0.59 0.80 -0.19 1.57 0.10 -1.77 0.04 132.00 133.14 3hgj h PRO 278 Ca 0.13 -0.05 -0.06 0.00 0.10 0.00 0.00 66.00 66.12 3hgj h PRO 278 Cb 0.31 -0.18 -0.00 0.00 0.10 0.00 0.00 31.00 31.22 3hgj h PRO 278 CO 0.01 0.53 -0.10 0.74 0.10 0.00 0.00 178.00 179.27 3hgj h PHE 279 N 0.82 0.47 -0.26 0.65 0.04 -1.75 -0.08 116.94 116.83 3hgj h PHE 279 Ca 0.46 -0.12 -0.03 0.00 2.80 0.00 0.00 57.97 61.08 3hgj h PHE 279 Cb 0.59 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 3hgj h PHE 279 CO -0.00 0.71 0.03 0.00 -0.60 0.00 0.00 178.31 178.45 3hgj h ALA 280 N 0.69 1.57 -0.16 2.45 0.00 -1.40 -2.48 119.26 119.93 3hgj h ALA 280 Ca 0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3hgj h ALA 280 Cb 0.59 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hgj h ALA 280 CO 0.03 0.32 -0.15 0.22 0.00 0.00 0.00 179.25 179.68 3hgj h ASP 281 N 0.37 0.40 -0.30 0.00 1.82 -0.56 -2.78 116.42 115.37 3hgj h ASP 281 Ca 0.09 -0.47 -0.06 0.00 -0.39 0.00 0.00 57.03 56.20 3hgj h ASP 281 Cb 0.21 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.09 3hgj h ASP 281 CO 0.00 0.79 -0.04 0.00 -1.61 0.00 0.00 179.24 178.38 3hgj h ALA 282 N 0.62 0.41 -0.42 -0.78 0.00 -0.92 -1.83 119.26 116.36 3hgj h ALA 282 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hgj h ALA 282 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3hgj h ALA 282 CO 0.04 0.21 0.27 0.28 0.00 0.00 0.00 179.25 180.05 3hgj h VAL 283 N 0.34 1.11 -0.30 0.00 2.07 -1.50 -0.85 116.25 117.13 3hgj h VAL 283 Ca 0.08 -0.20 -0.14 0.00 0.82 0.00 0.00 66.70 67.26 3hgj h VAL 283 Cb 0.51 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3hgj h VAL 283 CO 0.02 0.10 -0.37 -0.09 0.02 0.00 0.00 177.57 177.26 3hgj h ARG 284 N 0.56 0.78 0.00 1.57 2.43 -1.40 0.10 114.38 118.43 3hgj h ARG 284 Ca 0.15 -0.44 -0.16 0.00 -0.81 0.00 0.00 59.98 58.73 3hgj h ARG 284 Cb -0.06 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3hgj h ARG 284 CO -0.03 1.07 -0.82 0.87 -1.51 0.00 0.00 179.97 179.54 3hgj h LYS 285 N 0.54 0.00 0.00 0.20 1.57 -1.29 -1.42 116.57 116.17 3hgj h LYS 285 Ca 0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 3hgj h LYS 285 Cb 0.96 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 3hgj h LYS 285 CO 0.09 0.66 -1.98 0.54 -0.57 0.00 0.00 179.45 178.19 3hgj n ARG 286 N -3.23 0.72 -0.06 3.15 1.74 -0.33 -4.59 116.66 114.07 3hgj n ARG 286 Ca -0.01 -0.13 -0.07 0.00 -0.77 0.00 0.00 57.85 56.87 3hgj n ARG 286 Cb 0.83 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 30.73 3hgj n ARG 286 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3hgj n VAL 287 N -2.31 0.82 -0.76 1.55 0.31 0.33 -5.01 118.33 113.26 3hgj n VAL 287 Ca -0.11 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 3hgj n VAL 287 Cb 0.66 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 3hgj n VAL 287 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3hgj n GLY 288 N 2.41 0.62 3.73 2.92 0.00 -0.53 -5.00 105.19 109.33 3hgj n GLY 288 Ca -0.21 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 3hgj n GLY 288 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hgj s LEU 289 N 0.00 4.32 0.72 0.99 2.96 -1.26 -5.02 118.68 121.40 3hgj s LEU 289 Ca 0.00 1.00 -0.16 0.00 -0.22 0.00 0.00 54.13 54.75 3hgj s LEU 289 Cb 0.00 -2.86 0.02 0.00 0.50 0.00 0.00 46.19 43.85 3hgj s LEU 289 CO 0.00 -0.01 1.10 0.54 -1.32 0.00 0.00 176.35 176.66 3hgj n ARG 290 N 3.48 0.59 -4.45 1.98 1.74 -1.26 -3.98 116.66 114.76 3hgj n ARG 290 Ca -0.05 0.26 -0.21 0.00 -0.77 0.00 0.00 57.85 57.08 3hgj n ARG 290 Cb 0.51 -2.35 -0.14 0.00 -1.02 0.00 0.00 32.46 29.47 3hgj n ARG 290 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3hgj s THR 291 N -1.77 1.21 -0.15 0.55 -4.23 -1.26 -1.50 115.64 108.49 3hgj s THR 291 Ca 0.76 -0.97 -0.12 0.00 -1.18 0.00 0.00 61.69 60.18 3hgj s THR 291 Cb -0.34 -1.08 -0.05 0.00 1.34 0.00 0.00 72.50 72.37 3hgj s THR 291 CO 0.48 0.09 0.23 -0.83 -0.54 0.00 0.00 174.62 174.05 3hgj s GLY 292 N -1.01 2.17 -0.08 3.99 0.00 -0.51 -0.02 107.32 111.86 3hgj s GLY 292 Ca 0.03 -0.54 -0.05 0.00 0.00 0.00 0.00 44.72 44.16 3hgj s GLY 292 CO 0.01 0.20 0.14 0.00 0.00 0.00 0.00 173.10 173.45 3hgj s ALA 293 N 0.08 3.85 -0.06 3.20 0.00 -0.27 -1.88 121.76 126.68 3hgj s ALA 293 Ca 0.14 -0.69 -0.18 0.00 0.00 0.00 0.00 51.96 51.23 3hgj s ALA 293 Cb -0.13 -1.90 0.04 0.00 0.00 0.00 0.00 23.12 21.13 3hgj s ALA 293 CO 0.03 0.65 0.40 0.54 0.00 0.00 0.00 175.76 177.38 3hgj s VAL 294 N -1.10 0.03 0.00 0.00 0.11 -1.26 0.25 120.40 118.43 3hgj s VAL 294 Ca 0.18 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 3hgj s VAL 294 Cb -0.12 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.05 3hgj s VAL 294 CO 0.08 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 3hgj n GLY 295 N 1.60 2.25 3.70 6.54 0.00 -1.26 -4.43 105.19 113.59 3hgj n GLY 295 Ca -0.19 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.12 3hgj n GLY 295 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hgj n LEU 296 N 0.00 -3.15 -4.52 0.99 4.77 -1.26 -2.41 117.00 111.42 3hgj n LEU 296 Ca 0.00 -0.68 -0.39 0.00 -0.03 0.00 0.00 56.01 54.91 3hgj n LEU 296 Cb 0.00 -2.83 -0.11 0.00 -2.33 0.00 0.00 43.42 38.15 3hgj n LEU 296 CO 0.00 0.52 -0.16 -0.63 -1.33 0.00 0.00 177.39 175.78 3hgj s ILE 297 N -3.37 5.06 0.00 -0.08 1.01 -1.26 -3.36 121.20 119.20 3hgj s ILE 297 Ca 0.45 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.92 3hgj s ILE 297 Cb -0.21 -3.54 0.00 0.00 0.01 0.00 0.00 42.46 38.72 3hgj s ILE 297 CO 0.78 0.09 0.12 0.35 0.00 0.00 0.00 174.94 176.28 3hgj n THR 298 N 5.05 0.01 -4.32 2.92 -2.24 -1.26 -4.78 114.28 109.66 3hgj n THR 298 Ca -0.13 -0.03 -0.18 0.00 -2.27 0.00 0.00 64.05 61.44 3hgj n THR 298 Cb 0.50 1.76 -0.15 0.00 -2.10 0.00 0.00 70.33 70.35 3hgj n THR 298 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hgj s THR 299 N -0.01 0.65 0.24 4.28 2.01 -1.26 -5.04 115.64 116.51 3hgj s THR 299 Ca 0.00 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.61 3hgj s THR 299 Cb 0.00 -0.55 0.16 0.00 0.01 0.00 0.00 72.50 72.12 3hgj s THR 299 CO 0.00 0.19 1.81 -0.65 -0.69 0.00 0.00 174.62 175.27 3hgj h PRO 300 N 6.02 1.05 -0.13 4.92 0.11 -1.98 -2.30 132.00 139.69 3hgj h PRO 300 Ca -0.31 -0.19 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 3hgj h PRO 300 Cb 1.18 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 3hgj h PRO 300 CO 0.50 0.87 -0.52 0.93 -0.21 0.00 0.00 178.00 179.57 3hgj h GLU 301 N 1.02 0.36 0.03 1.05 3.07 -1.95 0.91 114.58 119.08 3hgj h GLU 301 Ca 0.23 -0.22 -0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3hgj h GLU 301 Cb 0.23 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.16 3hgj h GLU 301 CO -0.02 0.80 -0.01 0.37 -1.40 0.00 0.00 179.01 178.75 3hgj h GLN 302 N 0.29 -0.04 0.12 2.33 4.15 -1.96 0.20 115.11 120.19 3hgj h GLN 302 Ca 0.01 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.44 3hgj h GLN 302 Cb 1.01 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.69 3hgj h GLN 302 CO 0.09 0.24 -0.17 0.00 -1.93 0.00 0.00 178.83 177.06 3hgj h ALA 303 N 0.64 -0.30 -0.66 3.38 0.00 -1.32 -1.30 119.26 119.70 3hgj h ALA 303 Ca -0.00 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.98 3hgj h ALA 303 Cb 0.30 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 3hgj h ALA 303 CO 0.01 -0.70 0.25 1.49 0.00 0.00 0.00 179.25 180.30 3hgj h GLU 304 N -0.34 0.40 -0.58 0.00 4.57 -0.84 -2.79 114.58 115.00 3hgj h GLU 304 Ca 0.02 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 3hgj h GLU 304 Cb 0.34 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 3hgj h GLU 304 CO -0.08 0.27 0.08 1.15 -1.18 0.00 0.00 179.01 179.25 3hgj h THR 305 N 0.42 1.26 0.00 0.32 2.02 -0.59 0.91 112.91 117.25 3hgj h THR 305 Ca 0.34 -1.01 -0.11 0.00 0.77 0.00 0.00 66.41 66.41 3hgj h THR 305 Cb 0.46 0.78 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3hgj h THR 305 CO -0.34 0.37 -0.52 0.17 0.37 0.00 0.00 175.52 175.56 3hgj h LEU 306 N 0.87 0.00 -0.19 2.58 8.10 -1.12 -0.15 115.31 125.40 3hgj h LEU 306 Ca 0.18 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.13 3hgj h LEU 306 Cb 0.44 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.65 3hgj h LEU 306 CO 0.01 0.52 -0.02 -0.07 -4.11 0.00 0.00 178.44 174.77 3hgj h LEU 307 N 0.00 0.35 -1.00 0.17 3.38 -1.24 -1.19 115.31 115.78 3hgj h LEU 307 Ca -0.01 -0.34 0.14 0.00 0.09 0.00 0.00 57.88 57.77 3hgj h LEU 307 Cb 0.93 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 41.49 3hgj h LEU 307 CO 0.07 0.61 0.62 1.56 0.09 0.00 0.00 178.44 181.39 3hgj h GLN 308 N 0.09 0.89 0.00 1.13 1.08 -0.31 -0.96 115.11 117.03 3hgj h GLN 308 Ca 0.05 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3hgj h GLN 308 Cb 0.44 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 3hgj h GLN 308 CO 0.01 0.59 0.00 0.00 -0.95 0.00 0.00 178.83 178.48 3hgj n ALA 309 N -2.34 2.26 -2.07 3.87 0.00 -0.11 -4.87 120.51 117.25 3hgj n ALA 309 Ca 0.20 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 3hgj n ALA 309 Cb 0.43 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 3hgj n ALA 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgj n GLY 310 N 0.67 0.13 0.05 0.00 0.00 -0.37 -4.91 105.19 100.76 3hgj n GLY 310 Ca 0.13 -0.41 0.13 0.00 0.00 0.00 0.00 46.02 45.87 3hgj n GLY 310 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hgj n SER 311 N -0.19 0.46 -3.69 1.61 7.64 -0.47 -4.82 113.62 114.17 3hgj n SER 311 Ca -0.14 0.35 -0.04 0.00 1.01 0.00 0.00 58.87 60.06 3hgj n SER 311 Cb 0.57 -0.38 -0.01 0.00 -1.01 0.00 0.00 64.21 63.38 3hgj n SER 311 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hgj s ALA 312 N -3.06 -1.77 -0.20 -0.43 0.00 -1.26 -2.29 121.76 112.76 3hgj s ALA 312 Ca 0.11 0.38 0.17 0.00 0.00 0.00 0.00 51.96 52.62 3hgj s ALA 312 Cb 0.16 0.55 -0.24 0.00 0.00 0.00 0.00 23.12 23.59 3hgj s ALA 312 CO 0.61 -0.97 0.05 -0.25 0.00 0.00 0.00 175.76 175.20 3hgj n ASP 313 N -0.43 0.22 -4.17 0.00 9.92 0.97 -4.69 116.55 118.38 3hgj n ASP 313 Ca -0.07 -0.01 -0.22 0.00 -0.53 0.00 0.00 54.79 53.96 3hgj n ASP 313 Cb 0.61 0.92 -0.14 0.00 -0.64 0.00 0.00 41.12 41.87 3hgj n ASP 313 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3hgj s LEU 314 N -5.50 2.14 -0.24 0.64 2.96 -0.83 -4.89 118.68 112.96 3hgj s LEU 314 Ca -0.11 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.33 3hgj s LEU 314 Cb 0.06 -0.75 0.00 0.00 0.50 0.00 0.00 46.19 46.00 3hgj s LEU 314 CO 0.80 0.11 -0.03 -0.69 -1.32 0.00 0.00 176.35 175.21 3hgj s VAL 315 N -0.72 3.32 -0.22 1.68 1.01 0.16 -1.12 120.40 124.51 3hgj s VAL 315 Ca 0.04 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 3hgj s VAL 315 Cb -0.08 -2.59 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 3hgj s VAL 315 CO 0.01 0.31 0.13 -0.76 0.00 0.00 0.00 175.10 174.80 3hgj s LEU 316 N 1.44 4.08 -0.12 3.92 1.02 0.14 -1.05 118.68 128.11 3hgj s LEU 316 Ca 0.04 0.14 -0.02 0.00 0.02 0.00 0.00 54.13 54.30 3hgj s LEU 316 Cb -0.15 -2.07 -0.03 0.00 0.02 0.00 0.00 46.19 43.95 3hgj s LEU 316 CO -0.03 0.12 -0.04 -0.76 0.02 0.00 0.00 176.35 175.66 3hgj s LEU 317 N 0.74 3.31 0.00 1.79 1.43 0.29 -4.42 118.68 121.82 3hgj s LEU 317 Ca 0.07 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 3hgj s LEU 317 Cb -0.13 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.32 3hgj s LEU 317 CO 0.02 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.46 3hgj n GLY 318 N 2.95 0.29 0.36 -3.19 0.00 -1.26 0.10 105.19 104.44 3hgj n GLY 318 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.90 3hgj n GLY 318 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hgj h ARG 319 N 0.00 0.87 -0.05 1.61 3.08 -1.96 -1.20 114.38 116.74 3hgj h ARG 319 Ca 0.00 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3hgj h ARG 319 Cb 0.00 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 3hgj h ARG 319 CO 0.00 0.58 -0.17 -0.24 -1.07 0.00 0.00 179.97 179.06 3hgj h VAL 320 N 0.90 1.15 0.00 2.04 3.04 -1.91 0.15 116.25 121.62 3hgj h VAL 320 Ca 0.37 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 65.36 3hgj h VAL 320 Cb 0.28 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.87 3hgj h VAL 320 CO -0.14 0.21 0.00 0.18 -1.01 0.00 0.00 177.57 176.81 3hgj n LEU 321 N -4.30 0.10 0.05 3.16 4.77 -0.46 -0.11 117.00 120.20 3hgj n LEU 321 Ca -0.02 0.51 -0.20 0.00 -0.03 0.00 0.00 56.01 56.27 3hgj n LEU 321 Cb 0.26 -0.49 -0.12 0.00 -2.33 0.00 0.00 43.42 40.74 3hgj n LEU 321 CO 0.37 -0.10 0.08 -0.07 -1.33 0.00 0.00 177.39 176.34 3hgj h LEU 322 N 0.00 0.70 0.00 2.23 3.38 -0.59 -3.29 115.31 117.74 3hgj h LEU 322 Ca 0.00 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.16 3hgj h LEU 322 Cb 0.45 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hgj h LEU 322 CO 0.00 1.43 -1.01 -2.11 0.09 0.00 0.00 178.44 176.84 3hgj n ARG 323 N -4.01 0.17 -3.22 1.13 1.85 -1.12 -4.66 116.66 106.80 3hgj n ARG 323 Ca -0.12 -0.02 -0.23 0.00 -1.00 0.00 0.00 57.85 56.48 3hgj n ARG 323 Cb 0.84 -1.54 -0.07 0.00 -1.05 0.00 0.00 32.46 30.64 3hgj n ARG 323 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 3hgj n ASP 324 N -1.75 -0.51 0.27 2.89 2.03 0.84 -5.01 116.55 115.31 3hgj n ASP 324 Ca 0.03 -2.61 0.15 0.00 0.52 0.00 0.00 54.79 52.87 3hgj n ASP 324 Cb 0.39 -0.31 0.72 0.00 -0.72 0.00 0.00 41.12 41.21 3hgj n ASP 324 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hgj h PRO 325 N 4.73 0.00 -0.56 -0.67 0.13 -1.76 -1.03 132.00 132.84 3hgj h PRO 325 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3hgj h PRO 325 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 3hgj h PRO 325 CO 0.39 0.10 0.00 0.66 -0.23 0.00 0.00 178.00 178.92 3hgj n TYR 326 N -3.38 1.62 -0.26 1.56 4.02 -1.26 -4.31 117.16 115.15 3hgj n TYR 326 Ca -0.01 -0.69 0.04 0.00 -0.01 0.00 0.00 57.90 57.23 3hgj n TYR 326 Cb 0.28 -0.36 0.09 0.00 -0.02 0.00 0.00 39.34 39.33 3hgj n TYR 326 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3hgj n PHE 327 N 0.67 0.24 0.24 -0.72 7.35 -0.39 -1.77 117.46 123.07 3hgj n PHE 327 Ca 0.26 0.89 0.09 0.00 -0.76 0.00 0.00 57.45 57.92 3hgj n PHE 327 Cb 1.00 -0.91 0.59 0.00 0.35 0.00 0.00 39.48 40.52 3hgj n PHE 327 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 3hgj h PRO 328 N 0.00 0.00 -0.10 -7.13 0.11 -1.80 0.26 132.00 123.33 3hgj h PRO 328 Ca 0.34 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.24 3hgj h PRO 328 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3hgj h PRO 328 CO -0.75 0.19 -0.77 -0.07 -0.21 0.00 0.00 178.00 176.39 3hgj h LEU 329 N 0.00 0.69 0.05 2.35 3.38 -1.18 -2.04 115.31 118.57 3hgj h LEU 329 Ca -0.00 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 3hgj h LEU 329 Cb 0.42 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hgj h LEU 329 CO 0.02 1.23 -0.02 -0.09 0.09 0.00 0.00 178.44 179.67 3hgj h ARG 330 N 0.39 -0.07 -0.61 1.13 2.43 -1.22 -3.11 114.38 113.32 3hgj h ARG 330 Ca -0.05 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.25 3hgj h ARG 330 Cb 1.37 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.83 3hgj h ARG 330 CO 0.14 -0.01 -0.08 0.00 -1.51 0.00 0.00 179.97 178.51 3hgj h ALA 331 N 0.84 0.49 0.05 2.80 0.00 -0.38 -0.43 119.26 122.63 3hgj h ALA 331 Ca -0.01 0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3hgj h ALA 331 Cb 0.09 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 3hgj h ALA 331 CO 0.01 -0.42 -0.21 0.00 0.00 0.00 0.00 179.25 178.63 3hgj h ALA 332 N 1.58 -0.31 -0.31 0.00 0.00 -1.37 -1.41 119.26 117.44 3hgj h ALA 332 Ca 0.30 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.26 3hgj h ALA 332 Cb 0.48 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 3hgj h ALA 332 CO -0.58 -0.72 -0.10 -0.22 0.00 0.00 0.00 179.25 177.62 3hgj h LYS 333 N -0.37 -0.04 -0.17 0.00 3.64 -1.07 0.64 116.57 119.20 3hgj h LYS 333 Ca 0.04 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3hgj h LYS 333 Cb 0.42 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3hgj h LYS 333 CO -0.16 -0.03 0.39 0.00 -2.27 0.00 0.00 179.45 177.39 3hgj h ALA 334 N 1.25 1.67 -0.41 5.00 0.00 -0.61 -2.29 119.26 123.87 3hgj h ALA 334 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hgj h ALA 334 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hgj h ALA 334 CO -0.34 -0.48 0.00 1.28 0.00 0.00 0.00 179.25 179.71 3hgj n LEU 335 N -3.22 3.73 0.00 0.00 4.77 0.03 -4.95 117.00 117.36 3hgj n LEU 335 Ca 0.02 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.58 3hgj n LEU 335 Cb 0.49 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3hgj n LEU 335 CO 0.19 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 3hgj n GLY 336 N 0.41 0.52 3.60 -0.72 0.00 -0.86 -4.78 105.19 103.35 3hgj n GLY 336 Ca 0.19 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 3hgj n GLY 336 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hgj s VAL 337 N -2.00 4.71 0.02 1.61 1.01 -0.12 -5.00 120.40 120.62 3hgj s VAL 337 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.62 3hgj s VAL 337 Cb 0.00 -3.14 -0.08 0.00 0.00 0.00 0.00 36.38 33.16 3hgj s VAL 337 CO 0.00 0.43 1.86 0.00 0.00 0.00 0.00 175.10 177.39 3hgj s ALA 338 N 0.63 3.61 0.47 5.51 0.00 -1.26 -2.61 121.76 128.11 3hgj s ALA 338 Ca 0.03 1.23 -0.23 0.00 0.00 0.00 0.00 51.96 52.99 3hgj s ALA 338 Cb -0.13 -3.80 -0.07 0.00 0.00 0.00 0.00 23.12 19.11 3hgj s ALA 338 CO 0.01 -1.47 1.15 -1.25 0.00 0.00 0.00 175.76 174.21 3hgj s PRO 339 N 4.11 3.73 -0.88 0.00 0.04 -1.26 -4.93 135.00 135.81 3hgj s PRO 339 Ca 0.83 1.74 -0.24 0.00 0.04 0.00 0.00 61.00 63.37 3hgj s PRO 339 Cb -0.40 -2.36 0.06 0.00 0.04 0.00 0.00 34.50 31.83 3hgj s PRO 339 CO 0.37 -0.57 1.30 -2.00 0.04 0.00 0.00 177.00 176.15 3hgj s GLU 340 N -2.76 3.42 -0.04 4.56 2.12 -1.26 -4.99 118.70 119.74 3hgj s GLU 340 Ca 0.64 -0.91 0.05 0.00 0.36 0.00 0.00 54.97 55.11 3hgj s GLU 340 Cb -0.28 -4.82 -0.02 0.00 0.26 0.00 0.00 34.13 29.27 3hgj s GLU 340 CO 0.33 -2.09 -0.17 0.08 -0.54 0.00 0.00 175.26 172.87 3hgj s VAL 341 N 4.79 2.79 0.54 3.70 1.01 -1.26 -4.90 120.40 127.07 3hgj s VAL 341 Ca 0.38 -0.82 -0.22 0.00 0.00 0.00 0.00 61.98 61.32 3hgj s VAL 341 Cb -0.05 -2.07 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3hgj s VAL 341 CO -0.00 0.59 1.37 -2.84 0.00 0.00 0.00 175.10 174.21 3hgj s PRO 342 N -0.66 3.15 0.25 2.72 0.02 -1.26 -4.87 135.00 134.35 3hgj s PRO 342 Ca 0.10 2.26 -0.03 0.00 0.02 0.00 0.00 61.00 63.35 3hgj s PRO 342 Cb -0.11 -2.28 0.45 0.00 0.02 0.00 0.00 34.50 32.58 3hgj s PRO 342 CO 0.00 -1.19 1.78 -1.35 -0.33 0.00 0.00 177.00 175.92 3hgj h PRO 343 N 1.49 0.66 -0.80 5.54 0.11 -2.00 0.37 132.00 137.37 3hgj h PRO 343 Ca -0.51 -0.04 0.23 0.00 0.11 0.00 0.00 66.00 65.79 3hgj h PRO 343 Cb 1.30 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3hgj h PRO 343 CO 0.57 0.44 0.62 1.96 -0.21 0.00 0.00 178.00 181.39 3hgj h GLN 344 N 0.68 0.00 -0.28 1.05 7.50 -2.06 -2.68 115.11 119.31 3hgj h GLN 344 Ca 0.42 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.57 3hgj h GLN 344 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.02 3hgj h GLN 344 CO -0.30 0.00 0.00 0.66 -1.50 0.00 0.00 178.83 177.69 3hgj n TYR 345 N -4.11 0.37 -0.18 2.96 4.01 0.11 -4.70 117.16 115.62 3hgj n TYR 345 Ca 0.16 -0.32 -0.05 0.00 -0.16 0.00 0.00 57.90 57.54 3hgj n TYR 345 Cb 0.91 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.97 3hgj n TYR 345 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3hgj h GLN 346 N 2.60 0.58 0.00 -0.72 5.75 -1.38 0.89 115.11 122.84 3hgj h GLN 346 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 3hgj h GLN 346 Cb 0.71 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.13 3hgj h GLN 346 CO 0.00 0.39 0.00 0.54 -2.65 0.00 0.00 178.83 177.11 3hgj n ARG 347 N -4.81 0.04 -0.07 1.69 1.74 -1.26 -2.40 116.66 111.59 3hgj n ARG 347 Ca 0.04 0.29 0.12 0.00 -0.77 0.00 0.00 57.85 57.52 3hgj n ARG 347 Cb 0.09 -1.50 0.37 0.00 -1.02 0.00 0.00 32.46 30.40 3hgj n ARG 347 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hgj n GLY 348 N -0.44 0.47 0.00 -0.13 0.00 0.31 -5.27 105.19 100.12 3hgj n GLY 348 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3hgj n GLY 348 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01