#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 0.00 -1.95 0.00 3.38 -1.96 -1.56 115.31 113.23 3hgj h LEU 3 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 3hgj h LEU 3 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3hgj h LEU 3 CO 0.00 0.03 0.38 0.25 0.09 0.00 0.00 178.44 179.18 3hgj h LEU 4 N 0.00 0.05 -3.32 1.67 5.85 -1.91 -1.77 115.31 115.89 3hgj h LEU 4 Ca -0.00 0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.57 3hgj h LEU 4 Cb 0.05 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 40.98 3hgj h LEU 4 CO 0.00 0.03 -0.09 0.49 -0.34 0.00 0.00 178.44 178.53 3hgj n PHE 5 N -4.40 1.00 -4.17 1.25 3.72 -0.59 -1.34 117.46 112.94 3hgj n PHE 5 Ca 0.10 -1.51 -0.34 0.00 -0.05 0.00 0.00 57.45 55.65 3hgj n PHE 5 Cb 0.57 -0.46 -0.08 0.00 -0.94 0.00 0.00 39.48 38.57 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 -3.20 4.65 0.71 4.37 -4.23 -0.67 -4.83 115.64 112.44 3hgj s THR 6 Ca 0.44 -0.30 -0.14 0.00 -1.18 0.00 0.00 61.69 60.50 3hgj s THR 6 Cb 0.40 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 71.20 3hgj s THR 6 CO 0.00 0.46 1.14 -2.84 -0.54 0.00 0.00 174.62 172.84 3hgj s PRO 7 N -1.38 2.45 -0.26 3.99 0.02 -1.25 -4.06 135.00 134.50 3hgj s PRO 7 Ca 0.19 1.49 0.01 0.00 0.02 0.00 0.00 61.00 62.71 3hgj s PRO 7 Cb -0.12 -1.90 0.05 0.00 0.02 0.00 0.00 34.50 32.55 3hgj s PRO 7 CO 0.09 -1.54 -0.10 -1.17 -0.33 0.00 0.00 177.00 173.95 3hgj s LEU 8 N -5.15 3.33 -0.17 -5.54 2.96 -0.69 -4.93 118.68 108.48 3hgj s LEU 8 Ca 0.68 -1.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.09 3hgj s LEU 8 Cb -0.23 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3hgj s LEU 8 CO 0.45 -0.17 1.12 -1.61 -1.32 0.00 0.00 176.35 174.82 3hgj s GLU 9 N 1.18 4.28 -0.33 1.98 0.41 -1.26 -1.82 118.70 123.14 3hgj s GLU 9 Ca -0.05 1.49 0.02 0.00 -0.41 0.00 0.00 54.97 56.02 3hgj s GLU 9 Cb -0.19 -3.66 0.10 0.00 -1.78 0.00 0.00 34.13 28.61 3hgj s GLU 9 CO -0.05 -0.59 0.08 -0.51 -0.49 0.00 0.00 175.26 173.69 3hgj s LEU 10 N 3.04 3.53 0.00 1.80 1.43 0.55 -4.99 118.68 124.04 3hgj s LEU 10 Ca 0.49 -1.95 0.00 0.00 -1.03 0.00 0.00 54.13 51.64 3hgj s LEU 10 Cb -0.19 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 44.78 3hgj s LEU 10 CO 0.12 -0.39 0.00 0.61 0.23 0.00 0.00 176.35 176.92 3hgj n GLY 11 N 4.49 2.85 0.96 -3.19 0.00 -1.26 -1.66 105.19 107.37 3hgj n GLY 11 Ca 0.01 0.31 0.11 0.00 0.00 0.00 0.00 46.02 46.45 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 1.30 3.35 -0.02 0.00 -0.26 -4.88 105.19 104.69 3hgj n GLY 12 Ca 0.00 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 3hgj n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hgj s LEU 13 N -1.38 2.23 -0.16 0.99 2.96 -0.67 -4.99 118.68 117.66 3hgj s LEU 13 Ca 0.37 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.84 3hgj s LEU 13 Cb 0.20 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.49 3hgj s LEU 13 CO 0.29 0.32 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.95 3hgj s ARG 14 N -0.70 3.43 -0.05 1.98 3.52 -1.26 -0.33 118.95 125.54 3hgj s ARG 14 Ca 0.11 -0.64 -0.15 0.00 -0.13 0.00 0.00 55.73 54.92 3hgj s ARG 14 Cb -0.10 -2.80 -0.05 0.00 -1.56 0.00 0.00 34.95 30.43 3hgj s ARG 14 CO -0.00 0.08 0.39 -0.51 -0.81 0.00 0.00 175.30 174.45 3hgj s LEU 15 N 0.72 4.40 0.18 -0.88 1.43 -0.75 -4.96 118.68 118.80 3hgj s LEU 15 Ca -0.04 0.83 0.24 0.00 -1.03 0.00 0.00 54.13 54.13 3hgj s LEU 15 Cb -0.15 -2.54 0.91 0.00 0.03 0.00 0.00 46.19 44.43 3hgj s LEU 15 CO 0.02 0.23 1.73 2.29 0.23 0.00 0.00 176.35 180.85 3hgj n LYS 16 N 2.46 0.17 -3.81 1.70 2.85 -1.26 -1.70 118.16 118.58 3hgj n LYS 16 Ca -0.13 0.28 -0.09 0.00 -1.05 0.00 0.00 58.31 57.32 3hgj n LYS 16 Cb 0.52 -1.75 0.03 0.00 -0.65 0.00 0.00 35.03 33.17 3hgj n LYS 16 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hgj s ASN 17 N -4.03 0.02 -0.12 -5.58 2.20 -1.26 -3.93 114.94 102.25 3hgj s ASN 17 Ca 0.08 -1.16 0.17 0.00 -0.94 0.00 0.00 52.86 51.01 3hgj s ASN 17 Cb 0.12 0.85 0.67 0.00 -2.00 0.00 0.00 41.25 40.88 3hgj s ASN 17 CO 0.46 -1.69 1.59 0.54 -2.94 0.00 0.00 177.10 175.06 3hgj n ARG 18 N -0.54 3.65 -3.38 3.55 5.12 -0.45 -4.53 116.66 120.07 3hgj n ARG 18 Ca -0.08 -2.83 -0.38 0.00 -1.93 0.00 0.00 57.85 52.63 3hgj n ARG 18 Cb 0.60 -1.85 -0.06 0.00 -1.16 0.00 0.00 32.46 29.98 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 -1.92 4.33 0.04 0.55 1.43 -1.26 -0.22 118.68 121.63 3hgj s LEU 19 Ca 0.48 0.83 0.04 0.00 -1.03 0.00 0.00 54.13 54.45 3hgj s LEU 19 Cb 0.32 -2.64 -0.02 0.00 0.03 0.00 0.00 46.19 43.88 3hgj s LEU 19 CO 0.22 0.10 -0.12 0.00 0.23 0.00 0.00 176.35 176.78 3hgj s ALA 20 N 0.14 0.99 -0.16 4.21 0.00 0.58 -1.81 121.76 125.71 3hgj s ALA 20 Ca 0.24 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 3hgj s ALA 20 Cb -0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 22.84 3hgj s ALA 20 CO 0.11 0.16 1.03 1.41 0.00 0.00 0.00 175.76 178.46 3hgj s MET 21 N -1.21 4.35 0.42 0.00 1.75 0.98 -0.69 119.30 124.90 3hgj s MET 21 Ca -0.01 1.39 -0.23 0.00 -1.25 0.00 0.00 55.69 55.58 3hgj s MET 21 Cb -0.08 -3.59 -0.09 0.00 2.84 0.00 0.00 34.83 33.92 3hgj s MET 21 CO 0.01 -0.45 1.06 0.45 -0.65 0.00 0.00 175.02 175.44 3hgj s SER 22 N 1.15 6.63 0.04 1.11 0.15 -0.28 -1.98 113.70 120.53 3hgj s SER 22 Ca 0.47 2.06 -0.30 0.00 0.70 0.00 0.00 55.95 58.88 3hgj s SER 22 Cb -0.17 -2.58 -0.08 0.00 -1.71 0.00 0.00 66.02 61.47 3hgj s SER 22 CO 0.13 -0.58 1.75 -2.16 1.20 0.00 0.00 173.24 173.58 3hgj s PRO 23 N -2.61 4.17 -0.20 5.44 0.04 -1.22 -4.78 135.00 135.84 3hgj s PRO 23 Ca 0.60 2.40 -0.02 0.00 0.04 0.00 0.00 61.00 64.02 3hgj s PRO 23 Cb -0.22 -3.80 0.06 0.00 0.04 0.00 0.00 34.50 30.58 3hgj s PRO 23 CO 0.28 -0.82 0.02 -1.64 0.04 0.00 0.00 177.00 174.88 3hgj s MET 24 N 3.34 0.82 0.03 4.56 -1.94 -1.26 -4.85 119.30 120.00 3hgj s MET 24 Ca 0.78 -0.53 -0.37 0.00 -1.71 0.00 0.00 55.69 53.86 3hgj s MET 24 Cb -0.40 -2.20 -0.17 0.00 2.01 0.00 0.00 34.83 34.08 3hgj s MET 24 CO 0.34 -0.64 1.38 0.00 -0.01 0.00 0.00 175.02 176.10 3hgj n GLN 26 N 2.86 1.40 -3.92 0.00 1.13 -1.26 -5.01 117.38 112.57 3hgj n GLN 26 Ca 0.20 -0.05 -0.31 0.00 -1.94 0.00 0.00 57.00 54.89 3hgj n GLN 26 Cb 0.18 -1.28 0.01 0.00 0.11 0.00 0.00 30.24 29.26 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 -1.62 -2.16 -1.49 1.08 4.01 -1.26 -4.82 117.16 110.89 3hgj n TYR 27 Ca 0.01 0.85 0.01 0.00 -0.16 0.00 0.00 57.90 58.61 3hgj n TYR 27 Cb 0.30 -3.72 0.01 0.00 -0.31 0.00 0.00 39.34 35.63 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 -2.75 0.33 -4.88 7.72 7.64 -0.93 -4.81 113.62 115.93 3hgj n SER 28 Ca 0.05 -1.80 -0.30 0.00 1.01 0.00 0.00 58.87 57.83 3hgj n SER 28 Cb 0.52 -0.15 0.07 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.33 2.70 0.93 -0.43 0.00 -0.31 -4.56 121.76 119.75 3hgj s ALA 29 Ca 0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 51.96 51.39 3hgj s ALA 29 Cb 0.03 -3.00 0.15 0.00 0.00 0.00 0.00 23.12 20.29 3hgj s ALA 29 CO 0.00 -1.47 1.09 0.95 0.00 0.00 0.00 175.76 176.34 3hgj s THR 30 N -3.45 2.53 0.63 0.00 -4.23 -0.85 -4.66 115.64 105.60 3hgj s THR 30 Ca 0.60 0.17 0.30 0.00 -1.18 0.00 0.00 61.69 61.58 3hgj s THR 30 Cb -0.11 -2.49 0.34 0.00 1.34 0.00 0.00 72.50 71.57 3hgj s THR 30 CO 0.51 -0.22 1.95 -0.07 -0.54 0.00 0.00 174.62 176.24 3hgj h LEU 31 N -1.73 0.00 -1.51 4.79 3.38 -1.94 0.63 115.31 118.93 3hgj h LEU 31 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3hgj h LEU 31 Cb 1.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3hgj h LEU 31 CO 0.51 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.42 3hgj n GLU 32 N -3.28 1.97 -1.85 1.13 -0.58 -1.26 -4.91 120.64 111.86 3hgj n GLU 32 Ca 0.02 -1.48 -0.04 0.00 -0.42 0.00 0.00 57.16 55.24 3hgj n GLU 32 Cb 0.46 -1.39 -0.01 0.00 -0.57 0.00 0.00 31.44 29.93 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 1.22 0.32 3.85 0.62 0.00 0.22 -4.72 105.19 106.69 3hgj n GLY 33 Ca 0.16 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 -3.76 4.01 0.32 1.61 2.02 -1.25 -0.80 118.70 120.86 3hgj s GLU 34 Ca 0.00 0.75 -0.29 0.00 0.02 0.00 0.00 54.97 55.45 3hgj s GLU 34 Cb 0.00 -2.36 -0.10 0.00 0.10 0.00 0.00 34.13 31.77 3hgj s GLU 34 CO 0.00 0.07 1.40 0.08 0.02 0.00 0.00 175.26 176.83 3hgj s VAL 35 N -2.12 2.50 0.35 2.63 1.01 -1.26 -2.01 120.40 121.50 3hgj s VAL 35 Ca 0.56 0.47 0.02 0.00 0.00 0.00 0.00 61.98 63.03 3hgj s VAL 35 Cb -0.10 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 3hgj s VAL 35 CO 0.19 0.10 0.08 0.35 0.00 0.00 0.00 175.10 175.83 3hgj n THR 36 N 1.17 0.00 0.13 3.92 -2.24 -1.26 -4.82 114.28 111.18 3hgj n THR 36 Ca 0.02 -1.89 0.06 0.00 -2.27 0.00 0.00 64.05 59.98 3hgj n THR 36 Cb 0.40 0.59 0.54 0.00 -2.10 0.00 0.00 70.33 69.76 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 1.19 0.22 -0.15 3.42 3.32 -1.96 -2.40 116.42 120.06 3hgj h ASP 37 Ca -0.28 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 56.81 3hgj h ASP 37 Cb 0.98 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.42 3hgj h ASP 37 CO 0.45 0.16 -0.15 -0.25 -1.72 0.00 0.00 179.24 177.72 3hgj h TRP 38 N 0.26 -0.38 -0.61 4.55 2.91 -1.96 -1.34 115.95 119.38 3hgj h TRP 38 Ca 0.08 0.02 -0.09 0.00 1.13 0.00 0.00 58.89 60.03 3hgj h TRP 38 Cb -0.01 0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.81 3hgj h TRP 38 CO -0.00 -0.22 0.04 0.45 -1.03 0.00 0.00 178.44 177.68 3hgj h HIS 39 N -0.18 1.12 0.00 2.65 -0.00 -1.77 -0.05 115.15 116.92 3hgj h HIS 39 Ca 0.10 -0.17 -0.01 0.00 -0.00 0.00 0.00 60.37 60.29 3hgj h HIS 39 Cb 0.33 -0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 27.43 3hgj h HIS 39 CO -0.28 0.97 -0.06 -0.07 -0.00 0.00 0.00 177.93 178.49 3hgj h LEU 40 N 0.96 0.00 0.08 2.43 3.38 -0.97 -1.86 115.31 119.33 3hgj h LEU 40 Ca 0.18 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.83 3hgj h LEU 40 Cb 0.50 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3hgj h LEU 40 CO 0.02 0.06 -1.76 -0.11 0.09 0.00 0.00 178.44 176.74 3hgj n LEU 41 N -3.34 2.35 -0.09 1.67 7.94 -0.55 -4.32 117.00 120.67 3hgj n LEU 41 Ca -0.01 0.28 -0.12 0.00 -1.11 0.00 0.00 56.01 55.05 3hgj n LEU 41 Cb 0.22 -1.06 -0.04 0.00 0.53 0.00 0.00 43.42 43.07 3hgj n LEU 41 CO 0.27 0.64 0.69 -0.74 -1.11 0.00 0.00 177.39 177.14 3hgj h HIS 42 N -0.34 0.59 0.02 1.96 2.76 -0.79 -2.92 115.15 116.43 3hgj h HIS 42 Ca -0.41 -0.14 -0.20 0.00 -2.20 0.00 0.00 60.37 57.42 3hgj h HIS 42 Cb 1.76 -0.14 0.02 0.00 1.55 0.00 0.00 27.41 30.60 3hgj h HIS 42 CO 0.08 0.75 -0.80 1.88 -1.30 0.00 0.00 177.93 178.54 3hgj h TYR 43 N 0.26 0.76 0.00 5.26 0.05 -1.58 -3.26 116.97 118.46 3hgj h TYR 43 Ca 0.06 -0.43 -0.04 0.00 0.05 0.00 0.00 58.73 58.38 3hgj h TYR 43 Cb 0.58 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 3hgj h TYR 43 CO 0.06 1.26 -0.17 -1.35 -1.05 0.00 0.00 178.16 176.91 3hgj h PRO 44 N 0.04 0.00 -0.76 4.88 0.11 -1.75 -2.29 132.00 132.24 3hgj h PRO 44 Ca -0.11 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.07 3hgj h PRO 44 Cb 1.50 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.55 3hgj h PRO 44 CO 0.16 0.17 0.45 1.15 -0.21 0.00 0.00 178.00 179.71 3hgj h THR 45 N 0.00 0.99 0.00 -1.15 2.02 -1.56 0.26 112.91 113.47 3hgj h THR 45 Ca -0.00 -0.28 -0.12 0.00 0.77 0.00 0.00 66.41 66.78 3hgj h THR 45 Cb 0.47 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 3hgj h THR 45 CO 0.02 0.15 -0.58 0.03 0.37 0.00 0.00 175.52 175.51 3hgj h ARG 46 N 0.81 0.00 -0.16 6.66 -0.00 -1.47 -1.88 114.38 118.34 3hgj h ARG 46 Ca 0.34 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.79 3hgj h ARG 46 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.16 3hgj h ARG 46 CO -0.18 0.58 -0.01 0.00 0.00 0.00 0.00 179.97 180.35 3hgj h ALA 47 N 1.42 0.22 -0.23 0.04 0.00 -0.99 -2.70 119.26 117.04 3hgj h ALA 47 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3hgj h ALA 47 Cb 1.15 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 3hgj h ALA 47 CO 0.07 -0.07 0.11 -0.07 0.00 0.00 0.00 179.25 179.30 3hgj h LEU 48 N 0.03 0.27 -0.45 0.00 3.38 -0.92 -1.81 115.31 115.80 3hgj h LEU 48 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hgj h LEU 48 Cb 0.39 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3hgj h LEU 48 CO 0.01 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.38 3hgj n GLY 49 N -1.39 -1.20 0.00 0.83 0.00 -0.71 -4.82 105.19 97.90 3hgj n GLY 49 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 1.26 3.77 -0.02 0.00 -0.68 -2.24 105.19 107.31 3hgj n GLY 50 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 2.92 -0.12 1.61 -7.23 -1.22 -4.85 120.40 109.51 3hgj s VAL 51 Ca 0.00 0.68 0.17 0.00 -1.81 0.00 0.00 61.98 61.02 3hgj s VAL 51 Cb 0.00 -3.34 0.11 0.00 0.56 0.00 0.00 36.38 33.71 3hgj s VAL 51 CO 0.00 -0.02 1.52 1.23 -0.31 0.00 0.00 175.10 177.52 3hgj h GLY 52 N 1.88 0.00 -6.10 2.32 0.00 -1.62 -3.40 103.07 96.14 3hgj h GLY 52 Ca -0.50 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 46.61 3hgj h GLY 52 CO 0.59 0.00 -0.56 -2.27 0.00 0.00 0.00 176.54 174.30 3hgj s LEU 53 N -6.52 0.71 -0.21 3.11 2.96 -1.16 -1.51 118.68 116.06 3hgj s LEU 53 Ca 0.04 0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 54.26 3hgj s LEU 53 Cb 0.08 0.48 -0.02 0.00 0.50 0.00 0.00 46.19 47.23 3hgj s LEU 53 CO 0.72 -0.14 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.97 3hgj s ILE 54 N 1.08 3.76 -0.54 6.68 1.01 -0.74 -0.01 121.20 132.44 3hgj s ILE 54 Ca -0.08 -0.37 -0.19 0.00 0.00 0.00 0.00 60.65 60.00 3hgj s ILE 54 Cb -0.10 -2.71 0.07 0.00 0.01 0.00 0.00 42.46 39.73 3hgj s ILE 54 CO -0.06 0.42 0.67 -0.76 0.00 0.00 0.00 174.94 175.20 3hgj s LEU 55 N 1.21 5.04 0.28 2.97 1.43 -0.84 0.58 118.68 129.35 3hgj s LEU 55 Ca 0.03 -1.04 -0.29 0.00 -1.03 0.00 0.00 54.13 51.80 3hgj s LEU 55 Cb -0.15 -2.42 -0.13 0.00 0.03 0.00 0.00 46.19 43.52 3hgj s LEU 55 CO 0.01 -0.98 1.24 0.52 0.23 0.00 0.00 176.35 177.36 3hgj n VAL 56 N 5.62 1.61 -0.91 -1.59 0.31 0.56 -3.44 118.33 120.48 3hgj n VAL 56 Ca -0.07 -0.40 -0.36 0.00 -0.01 0.00 0.00 64.34 63.50 3hgj n VAL 56 Cb 0.45 -1.32 0.07 0.00 -0.91 0.00 0.00 33.84 32.12 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 1.12 -0.28 -1.68 5.55 0.28 -1.26 -1.51 120.64 122.84 3hgj n GLU 57 Ca 0.09 -0.07 -0.54 0.00 -0.16 0.00 0.00 57.16 56.48 3hgj n GLU 57 Cb 0.33 -1.27 -0.06 0.00 1.43 0.00 0.00 31.44 31.86 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 -3.25 0.31 -4.05 -1.84 0.00 -1.26 -4.17 120.51 106.25 3hgj n ALA 58 Ca 0.00 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.43 3hgj n ALA 58 Cb 0.61 -2.35 -0.15 0.00 0.00 0.00 0.00 19.45 17.56 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 4.04 2.20 0.23 0.00 2.01 -0.48 -4.43 115.64 119.21 3hgj s THR 59 Ca 0.97 -1.33 -0.30 0.00 0.31 0.00 0.00 61.69 61.35 3hgj s THR 59 Cb -0.91 -2.15 -0.09 0.00 0.01 0.00 0.00 72.50 69.36 3hgj s THR 59 CO 0.59 0.20 1.36 0.00 -0.69 0.00 0.00 174.62 176.09 3hgj s ALA 60 N 1.19 3.57 -0.90 7.40 0.00 -0.65 -0.31 121.76 132.05 3hgj s ALA 60 Ca -0.03 1.21 0.27 0.00 0.00 0.00 0.00 51.96 53.41 3hgj s ALA 60 Cb -0.17 -3.51 0.81 0.00 0.00 0.00 0.00 23.12 20.25 3hgj s ALA 60 CO -0.08 -0.63 1.66 1.33 0.00 0.00 0.00 175.76 178.04 3hgj n VAL 61 N 2.41 0.15 -3.58 0.00 0.24 0.34 -1.31 118.33 116.57 3hgj n VAL 61 Ca 0.06 -0.09 -0.11 0.00 -2.04 0.00 0.00 64.34 62.17 3hgj n VAL 61 Cb 0.42 -0.23 -0.04 0.00 -1.47 0.00 0.00 33.84 32.52 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 -3.04 1.19 0.26 7.34 -1.05 -1.26 -4.29 118.70 117.85 3hgj s GLU 62 Ca 0.11 -0.66 -0.02 0.00 -0.15 0.00 0.00 54.97 54.26 3hgj s GLU 62 Cb 0.17 0.52 0.47 0.00 -0.44 0.00 0.00 34.13 34.84 3hgj s GLU 62 CO 0.62 -0.49 1.82 -1.35 0.95 0.00 0.00 175.26 176.82 3hgj h PRO 63 N 2.22 0.88 -0.02 -4.83 0.11 -1.98 -0.75 132.00 127.63 3hgj h PRO 63 Ca -0.33 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3hgj h PRO 63 Cb 1.27 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hgj h PRO 63 CO 0.42 0.58 0.00 1.28 -0.21 0.00 0.00 178.00 180.08 3hgj n LEU 64 N -4.67 0.42 -0.72 2.35 4.77 -1.26 -2.48 117.00 115.41 3hgj n LEU 64 Ca 0.16 -0.15 0.12 0.00 -0.03 0.00 0.00 56.01 56.11 3hgj n LEU 64 Cb 0.31 -0.01 0.34 0.00 -2.33 0.00 0.00 43.42 41.72 3hgj n LEU 64 CO 0.27 0.08 0.76 0.61 -1.33 0.00 0.00 177.39 177.78 3hgj n GLY 65 N 0.99 0.57 3.77 -0.72 0.00 -0.29 -4.65 105.19 104.87 3hgj n GLY 65 Ca 0.20 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.88 4.45 -0.02 1.61 0.52 -1.03 0.07 118.95 122.67 3hgj s ARG 66 Ca 0.34 1.62 -0.21 0.00 -0.52 0.00 0.00 55.73 56.97 3hgj s ARG 66 Cb 0.20 -2.90 -0.12 0.00 0.52 0.00 0.00 34.95 32.65 3hgj s ARG 66 CO 0.31 0.09 0.88 0.82 0.02 0.00 0.00 175.30 177.41 3hgj h ILE 67 N 2.68 0.20 -1.83 1.52 2.04 -1.91 -2.12 117.51 118.09 3hgj h ILE 67 Ca -0.47 -0.58 -0.61 0.00 1.00 0.00 0.00 64.86 64.21 3hgj h ILE 67 Cb 1.21 0.31 -0.12 0.00 -0.74 0.00 0.00 36.82 37.48 3hgj h ILE 67 CO 0.65 0.04 -0.62 -0.94 0.00 0.00 0.00 178.15 177.28 3hgj s SER 68 N -4.88 3.97 0.00 1.72 1.04 -1.26 0.39 113.70 114.69 3hgj s SER 68 Ca -0.11 -1.17 0.12 0.00 0.48 0.00 0.00 55.95 55.27 3hgj s SER 68 Cb 0.01 -0.43 0.64 0.00 0.10 0.00 0.00 66.02 66.34 3hgj s SER 68 CO 0.36 -0.31 1.26 -2.65 0.98 0.00 0.00 173.24 172.89 3hgj n PRO 69 N -0.93 0.22 -0.57 4.02 -0.02 -1.26 -2.64 135.00 133.83 3hgj n PRO 69 Ca -0.04 0.13 0.03 0.00 -2.02 0.00 0.00 63.50 61.60 3hgj n PRO 69 Cb 0.64 -1.50 0.21 0.00 -0.02 0.00 0.00 33.50 32.83 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 -1.22 0.72 -1.86 6.00 4.01 -1.26 -4.07 117.16 119.48 3hgj n TYR 70 Ca 0.07 -1.31 -0.32 0.00 -0.16 0.00 0.00 57.90 56.18 3hgj n TYR 70 Cb 0.08 -0.36 0.02 0.00 -0.31 0.00 0.00 39.34 38.78 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 -2.54 5.79 0.43 7.72 -0.00 -1.08 -1.16 116.67 125.83 3hgj s ASP 71 Ca 0.41 1.64 -0.25 0.00 -0.00 0.00 0.00 52.55 54.35 3hgj s ASP 71 Cb 0.36 -2.50 -0.08 0.00 -0.00 0.00 0.00 42.92 40.70 3hgj s ASP 71 CO 0.02 -1.16 1.32 -0.76 -0.00 0.00 0.00 175.17 174.58 3hgj s LEU 72 N -4.99 4.14 0.23 1.23 1.43 -1.26 -4.13 118.68 115.32 3hgj s LEU 72 Ca 0.59 2.69 0.11 0.00 -1.03 0.00 0.00 54.13 56.49 3hgj s LEU 72 Cb -0.14 -3.97 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 3hgj s LEU 72 CO 0.46 -0.99 -0.19 -0.83 0.23 0.00 0.00 176.35 175.03 3hgj s GLY 73 N -0.76 1.69 -0.02 -3.19 0.00 0.02 -1.64 107.32 103.42 3hgj s GLY 73 Ca 0.60 -1.74 0.15 0.00 0.00 0.00 0.00 44.72 43.73 3hgj s GLY 73 CO 0.49 -1.81 1.11 4.51 0.00 0.00 0.00 173.10 177.40 3hgj n ILE 74 N -0.28 0.25 1.79 0.90 3.06 -0.43 -4.83 119.36 119.82 3hgj n ILE 74 Ca -0.08 -0.86 0.15 0.00 -2.50 0.00 0.00 62.75 59.46 3hgj n ILE 74 Cb 0.59 0.67 0.78 0.00 0.54 0.00 0.00 39.64 42.22 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 0.11 0.00 -3.81 9.51 2.14 -1.26 -4.60 117.44 119.53 3hgj n TRP 75 Ca 0.05 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.50 3hgj n TRP 75 Cb 0.93 -0.02 -0.10 0.00 -0.81 0.00 0.00 31.31 31.31 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 -2.04 -0.12 0.53 -0.67 0.15 -1.26 -5.01 113.70 105.28 3hgj s SER 76 Ca 0.43 0.09 0.35 0.00 0.70 0.00 0.00 55.95 57.52 3hgj s SER 76 Cb 0.22 0.32 1.67 0.00 -1.71 0.00 0.00 66.02 66.52 3hgj s SER 76 CO 0.37 -0.31 2.05 -0.08 1.20 0.00 0.00 173.24 176.47 3hgj h GLU 77 N 4.57 0.00 0.00 5.44 4.57 -2.01 0.99 114.58 128.14 3hgj h GLU 77 Ca -0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 3hgj h GLU 77 Cb 1.19 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 3hgj h GLU 77 CO 0.39 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 177.97 3hgj n ASP 78 N -2.90 0.00 0.18 1.04 8.00 -1.26 -2.06 116.55 119.55 3hgj n ASP 78 Ca -0.01 0.30 0.05 0.00 0.71 0.00 0.00 54.79 55.84 3hgj n ASP 78 Cb 0.19 -0.42 0.33 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.00 0.00 -0.43 1.24 3.86 -1.15 -3.39 115.15 115.28 3hgj h HIS 79 Ca 0.00 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 59.29 3hgj h HIS 79 Cb 0.34 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.75 3hgj h HIS 79 CO 0.00 0.39 0.03 1.25 0.86 0.00 0.00 177.93 180.47 3hgj h LEU 80 N 0.00 -0.10 -0.02 2.43 5.85 -1.54 -2.26 115.31 119.67 3hgj h LEU 80 Ca -0.00 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.84 3hgj h LEU 80 Cb 0.90 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.03 3hgj h LEU 80 CO 0.05 -0.02 -0.22 -0.65 -0.34 0.00 0.00 178.44 177.26 3hgj h PRO 81 N 0.15 -0.33 -0.33 5.25 0.11 -1.79 0.42 132.00 135.48 3hgj h PRO 81 Ca 0.21 0.02 0.05 0.00 0.11 0.00 0.00 66.00 66.40 3hgj h PRO 81 Cb 0.29 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.43 3hgj h PRO 81 CO -0.32 -0.22 0.04 0.78 -0.21 0.00 0.00 178.00 178.07 3hgj h GLY 82 N -0.35 0.37 1.77 -0.55 0.00 -1.81 -1.84 103.07 100.66 3hgj h GLY 82 Ca 0.07 -0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.26 3hgj h GLY 82 CO -0.22 -0.04 -0.55 1.41 0.00 0.00 0.00 176.54 177.14 3hgj h LEU 83 N 0.15 0.27 -0.58 3.11 3.38 -0.86 -0.26 115.31 120.52 3hgj h LEU 83 Ca 0.16 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3hgj h LEU 83 Cb 0.19 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3hgj h LEU 83 CO -0.23 0.77 0.20 0.50 0.09 0.00 0.00 178.44 179.77 3hgj h LYS 84 N 0.18 0.88 -0.04 1.13 3.64 -0.02 -1.23 116.57 121.12 3hgj h LYS 84 Ca 0.00 -0.18 -0.15 0.00 -1.27 0.00 0.00 60.65 59.06 3hgj h LYS 84 Cb 1.03 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 3hgj h LYS 84 CO 0.09 0.78 -0.63 1.49 -2.27 0.00 0.00 179.45 178.90 3hgj h GLU 85 N 0.81 0.16 0.17 1.90 4.57 -0.81 0.19 114.58 121.56 3hgj h GLU 85 Ca 0.19 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3hgj h GLU 85 Cb 0.25 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3hgj h GLU 85 CO -0.01 0.74 -0.08 1.25 -1.18 0.00 0.00 179.01 179.73 3hgj h LEU 86 N 0.11 -0.19 -1.17 1.64 5.85 -0.84 -1.17 115.31 119.54 3hgj h LEU 86 Ca -0.01 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.57 3hgj h LEU 86 Cb 1.14 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 3hgj h LEU 86 CO 0.09 0.11 0.58 0.00 -0.34 0.00 0.00 178.44 178.88 3hgj h ALA 87 N 0.27 1.54 -0.07 1.25 0.00 -1.08 -1.89 119.26 119.27 3hgj h ALA 87 Ca -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hgj h ALA 87 Cb 0.39 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hgj h ALA 87 CO 0.04 0.32 0.03 -0.09 0.00 0.00 0.00 179.25 179.55 3hgj h ARG 88 N 1.00 0.11 -0.85 0.00 2.43 -0.77 -2.01 114.38 114.29 3hgj h ARG 88 Ca 0.39 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.59 3hgj h ARG 88 Cb 0.23 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 3hgj h ARG 88 CO -0.15 0.23 0.53 0.00 -1.51 0.00 0.00 179.97 179.07 3hgj h ARG 89 N -0.04 0.96 -0.09 0.20 2.47 -0.92 0.45 114.38 117.42 3hgj h ARG 89 Ca 0.02 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.70 3hgj h ARG 89 Cb 0.16 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.25 3hgj h ARG 89 CO -0.00 0.64 0.02 0.82 0.56 0.00 0.00 179.97 182.00 3hgj h ILE 90 N 0.99 0.97 -0.56 2.04 2.04 -1.27 -1.40 117.51 120.32 3hgj h ILE 90 Ca 0.36 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 66.12 3hgj h ILE 90 Cb 0.12 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3hgj h ILE 90 CO -0.15 0.01 0.04 -0.09 0.00 0.00 0.00 178.15 177.96 3hgj h ARG 91 N 0.06 0.96 -0.79 2.37 2.43 -1.25 -2.18 114.38 115.97 3hgj h ARG 91 Ca 0.04 -0.28 0.10 0.00 -0.81 0.00 0.00 59.98 59.02 3hgj h ARG 91 Cb 0.03 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 3hgj h ARG 91 CO -0.05 0.94 0.52 1.49 -1.51 0.00 0.00 179.97 181.36 3hgj h GLU 92 N 0.84 0.70 -0.07 0.20 4.81 -0.69 -1.19 114.58 119.19 3hgj h GLU 92 Ca 0.16 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3hgj h GLU 92 Cb 0.48 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3hgj h GLU 92 CO 0.02 0.47 0.00 0.00 -0.73 0.00 0.00 179.01 178.77 3hgj n ALA 93 N -2.45 2.57 0.00 2.92 0.00 -0.55 -4.92 120.51 118.09 3hgj n ALA 93 Ca 0.13 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.15 3hgj n ALA 93 Cb 0.33 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.11 0.92 3.69 0.00 0.00 -0.45 -3.18 105.19 107.29 3hgj n GLY 94 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 3.28 0.03 4.61 0.00 -1.02 -4.91 121.76 121.76 3hgj s ALA 95 Ca 0.00 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.29 3hgj s ALA 95 Cb 0.00 -1.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.01 3hgj s ALA 95 CO 0.00 0.46 1.14 0.08 0.00 0.00 0.00 175.76 177.43 3hgj s VAL 96 N -1.80 4.29 -0.12 0.00 1.01 -0.57 -3.52 120.40 119.69 3hgj s VAL 96 Ca 0.29 1.64 -0.26 0.00 0.00 0.00 0.00 61.98 63.65 3hgj s VAL 96 Cb -0.09 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 3hgj s VAL 96 CO 0.20 0.12 0.82 -2.16 0.00 0.00 0.00 175.10 174.08 3hgj s PRO 97 N 1.14 4.36 0.37 2.72 0.04 -1.26 -1.80 135.00 140.57 3hgj s PRO 97 Ca 0.57 1.04 0.04 0.00 0.04 0.00 0.00 61.00 62.69 3hgj s PRO 97 Cb -0.27 -3.53 -0.06 0.00 0.04 0.00 0.00 34.50 30.69 3hgj s PRO 97 CO 0.28 -0.20 0.06 0.20 0.04 0.00 0.00 177.00 177.38 3hgj s GLY 98 N 1.05 2.30 -0.14 0.56 0.00 0.20 0.10 107.32 111.38 3hgj s GLY 98 Ca 0.40 -1.85 -0.13 0.00 0.00 0.00 0.00 44.72 43.14 3hgj s GLY 98 CO 0.16 -1.90 0.38 -1.50 0.00 0.00 0.00 173.10 170.24 3hgj s ILE 99 N -3.15 -0.00 -0.17 0.90 2.07 -0.84 -0.33 121.20 119.68 3hgj s ILE 99 Ca 0.32 0.01 -0.18 0.00 -1.41 0.00 0.00 60.65 59.39 3hgj s ILE 99 Cb 0.07 -0.54 -0.04 0.00 0.13 0.00 0.00 42.46 42.09 3hgj s ILE 99 CO 0.15 0.00 0.49 -1.58 -1.91 0.00 0.00 174.94 172.09 3hgj s GLN 100 N 0.27 4.25 -0.08 3.50 0.74 -0.57 -1.28 119.66 126.48 3hgj s GLN 100 Ca -0.01 0.41 -0.15 0.00 0.05 0.00 0.00 55.36 55.66 3hgj s GLN 100 Cb -0.03 -3.51 -0.05 0.00 1.10 0.00 0.00 33.01 30.52 3hgj s GLN 100 CO -0.00 -0.02 0.39 -0.51 -0.55 0.00 0.00 175.29 174.60 3hgj s LEU 101 N 1.22 4.35 0.07 3.68 1.43 0.10 -1.39 118.68 128.14 3hgj s LEU 101 Ca 0.24 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 3hgj s LEU 101 Cb -0.15 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 3hgj s LEU 101 CO 0.10 0.16 -0.04 0.00 0.23 0.00 0.00 176.35 176.79 3hgj s ALA 102 N -0.10 0.68 -0.13 4.21 0.00 0.57 -1.50 121.76 125.49 3hgj s ALA 102 Ca 0.22 -1.25 -0.05 0.00 0.00 0.00 0.00 51.96 50.89 3hgj s ALA 102 Cb -0.15 0.22 0.06 0.00 0.00 0.00 0.00 23.12 23.26 3hgj s ALA 102 CO 0.10 -0.31 0.28 -1.58 0.00 0.00 0.00 175.76 174.24 3hgj s HIS 103 N -3.73 -0.44 -1.25 0.00 2.46 -1.26 -0.51 115.29 110.56 3hgj s HIS 103 Ca 0.08 1.00 0.25 0.00 0.47 0.00 0.00 55.06 56.86 3hgj s HIS 103 Cb 0.06 0.01 1.19 0.00 -0.13 0.00 0.00 32.58 33.71 3hgj s HIS 103 CO -0.08 -0.35 1.83 0.00 -2.47 0.00 0.00 174.74 173.68 3hgj n ALA 104 N 5.19 2.22 -0.46 1.58 0.00 0.11 -1.06 120.51 128.09 3hgj n ALA 104 Ca -0.09 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3hgj n ALA 104 Cb 0.50 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.54 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 0.95 3.10 0.00 0.00 0.00 -1.26 -1.66 105.19 106.31 3hgj n GLY 105 Ca 0.10 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.33 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 0.18 -0.41 1.61 1.85 -0.78 -2.02 116.66 131.09 3hgj n ARG 106 Ca 0.00 0.07 0.10 0.00 -1.00 0.00 0.00 57.85 57.02 3hgj n ARG 106 Cb 0.00 -1.50 0.30 0.00 -1.05 0.00 0.00 32.46 30.21 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 -1.39 3.04 -2.00 2.89 5.02 -0.67 -4.60 118.16 120.46 3hgj n LYS 107 Ca 0.09 -2.63 -0.36 0.00 -2.02 0.00 0.00 58.31 53.39 3hgj n LYS 107 Cb 0.24 -1.61 0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.29 2.63 -0.11 7.82 0.00 -0.85 -4.54 121.76 125.40 3hgj s ALA 108 Ca 0.45 1.06 -0.00 0.00 0.00 0.00 0.00 51.96 53.46 3hgj s ALA 108 Cb 0.25 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.91 3hgj s ALA 108 CO 0.27 -1.15 0.10 0.41 0.00 0.00 0.00 175.76 175.39 3hgj n GLY 109 N 0.55 0.08 3.25 0.00 0.00 0.12 -4.82 105.19 104.37 3hgj n GLY 109 Ca 0.13 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.02 1.43 0.74 2.61 -4.23 0.16 -0.22 115.64 113.12 3hgj s THR 110 Ca 0.03 -1.66 -0.13 0.00 -1.18 0.00 0.00 61.69 58.75 3hgj s THR 110 Cb -0.00 -1.51 0.05 0.00 1.34 0.00 0.00 72.50 72.37 3hgj s THR 110 CO 0.09 -0.32 1.13 0.00 -0.54 0.00 0.00 174.62 174.99 3hgj s ALA 111 N -1.84 2.18 0.53 3.99 0.00 -0.63 -3.98 121.76 122.01 3hgj s ALA 111 Ca 0.08 0.54 -0.20 0.00 0.00 0.00 0.00 51.96 52.38 3hgj s ALA 111 Cb -0.07 -3.36 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 3hgj s ALA 111 CO 0.04 -1.77 0.80 0.54 0.00 0.00 0.00 175.76 175.37 3hgj n ARG 112 N -3.07 0.86 0.03 0.00 1.74 -1.26 -3.78 116.66 111.17 3hgj n ARG 112 Ca 0.11 0.32 0.11 0.00 -0.77 0.00 0.00 57.85 57.63 3hgj n ARG 112 Cb 0.52 -1.93 0.56 0.00 -1.02 0.00 0.00 32.46 30.59 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 0.70 0.25 -0.11 5.56 0.11 -1.93 0.29 132.00 136.87 3hgj h PRO 113 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hgj h PRO 113 Cb 1.37 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3hgj h PRO 113 CO 0.51 0.16 0.00 -2.67 -0.21 0.00 0.00 178.00 175.80 3hgj n TRP 114 N -4.47 0.14 -1.00 0.65 2.14 -1.26 -3.06 117.44 110.58 3hgj n TRP 114 Ca 0.06 -0.07 0.08 0.00 2.07 0.00 0.00 57.50 59.64 3hgj n TRP 114 Cb 0.30 0.00 0.28 0.00 -0.81 0.00 0.00 31.31 31.08 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 0.28 3.20 0.00 -2.67 1.02 0.98 -4.95 120.64 118.49 3hgj n GLU 115 Ca 0.17 -2.91 0.00 0.00 -0.02 0.00 0.00 57.16 54.40 3hgj n GLU 115 Cb 0.34 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 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 -0.36 2.34 2.18 0.62 0.00 -1.17 -4.71 105.19 104.09 3hgj n GLY 116 Ca 0.23 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.78 3.77 -0.02 0.00 -1.05 -4.96 105.19 103.70 3hgj n GLY 117 Ca 0.00 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.76 4.66 0.42 1.61 -0.14 -1.26 -4.23 119.74 118.04 3hgj s LYS 118 Ca 0.00 1.35 -0.24 0.00 -1.36 0.00 0.00 55.97 55.72 3hgj s LYS 118 Cb 0.00 -3.01 -0.11 0.00 -1.68 0.00 0.00 37.83 33.04 3hgj s LYS 118 CO 0.00 0.39 1.02 -2.30 -0.76 0.00 0.00 175.35 173.70 3hgj n PRO 119 N 0.97 1.38 0.00 -1.68 -0.02 -1.26 -1.60 135.00 132.78 3hgj n PRO 119 Ca -0.00 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 62.06 3hgj n PRO 119 Cb 0.49 -2.06 0.06 0.00 -0.02 0.00 0.00 33.50 31.97 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 0.50 2.33 -0.11 2.45 4.77 0.70 -4.86 117.00 122.78 3hgj n LEU 120 Ca 0.09 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 3hgj n LEU 120 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3hgj n LEU 120 CO 0.57 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 3hgj n GLY 121 N 1.09 0.51 3.77 -0.72 0.00 -1.26 -5.05 105.19 103.53 3hgj n GLY 121 Ca 0.10 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.21 2.65 -1.33 1.61 0.51 -1.26 -4.94 118.94 113.97 3hgj s TRP 122 Ca 0.00 1.21 -0.15 0.00 -2.12 0.00 0.00 56.10 55.04 3hgj s TRP 122 Cb 0.00 -3.13 0.09 0.00 -0.81 0.00 0.00 33.47 29.63 3hgj s TRP 122 CO 0.00 -1.97 1.85 -2.13 -0.51 0.00 0.00 176.95 174.19 3hgj n ARG 123 N -3.58 3.18 -2.51 4.98 0.63 -1.26 -4.94 116.66 113.16 3hgj n ARG 123 Ca 0.07 -3.21 -0.33 0.00 -0.92 0.00 0.00 57.85 53.46 3hgj n ARG 123 Cb 0.56 -3.29 -0.03 0.00 0.45 0.00 0.00 32.46 30.14 3hgj n ARG 123 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3hgj s VAL 124 N 3.01 3.98 0.43 5.15 -7.23 -1.26 -4.88 120.40 119.59 3hgj s VAL 124 Ca 0.48 1.16 0.07 0.00 -1.81 0.00 0.00 61.98 61.88 3hgj s VAL 124 Cb 0.06 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.48 3hgj s VAL 124 CO 0.01 -0.34 0.25 0.68 -0.31 0.00 0.00 175.10 175.39 3hgj s VAL 125 N -2.15 2.33 0.00 1.32 -7.23 -1.26 -0.66 120.40 112.76 3hgj s VAL 125 Ca 0.65 -1.59 0.00 0.00 -1.81 0.00 0.00 61.98 59.23 3hgj s VAL 125 Cb -0.14 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.87 3hgj s VAL 125 CO 0.22 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 3hgj n GLY 126 N -1.36 0.59 0.19 2.32 0.00 -0.78 -1.87 105.19 104.28 3hgj n GLY 126 Ca -0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 46.02 44.99 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 0.46 -4.75 1.61 0.13 -1.85 0.93 132.00 128.53 3hgj h PRO 127 Ca 0.00 -0.36 -0.25 0.00 -0.87 0.00 0.00 66.00 64.52 3hgj h PRO 127 Cb 0.00 0.07 -0.15 0.00 0.13 0.00 0.00 31.00 31.05 3hgj h PRO 127 CO 0.00 0.99 -0.70 -1.12 -0.23 0.00 0.00 178.00 176.93 3hgj s SER 128 N -6.98 1.28 -1.43 1.44 0.01 -1.26 -4.44 113.70 102.32 3hgj s SER 128 Ca -0.06 -0.97 -0.10 0.00 1.31 0.00 0.00 55.95 56.12 3hgj s SER 128 Cb 0.10 0.07 0.06 0.00 0.21 0.00 0.00 66.02 66.46 3hgj s SER 128 CO 0.84 -0.41 2.35 -0.81 0.41 0.00 0.00 173.24 175.62 3hgj n PRO 129 N 0.04 3.61 -3.85 12.44 -0.04 -1.26 -4.59 135.00 141.36 3hgj n PRO 129 Ca -0.13 -2.92 -0.29 0.00 -0.04 0.00 0.00 63.50 60.12 3hgj n PRO 129 Cb 0.60 -2.94 -0.16 0.00 -0.04 0.00 0.00 33.50 30.96 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 1.33 1.09 0.45 0.52 1.01 -1.26 -4.80 121.20 119.54 3hgj s ILE 130 Ca 0.52 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 60.01 3hgj s ILE 130 Cb 0.15 -1.45 -0.07 0.00 0.01 0.00 0.00 42.46 41.09 3hgj s ILE 130 CO -0.06 -0.14 1.27 -2.16 0.00 0.00 0.00 174.94 173.86 3hgj s PRO 131 N 1.60 3.73 0.19 2.79 0.04 -1.26 -4.57 135.00 137.52 3hgj s PRO 131 Ca -0.04 2.06 -0.13 0.00 0.04 0.00 0.00 61.00 62.94 3hgj s PRO 131 Cb -0.18 -2.55 0.21 0.00 0.04 0.00 0.00 34.50 32.02 3hgj s PRO 131 CO -0.07 -0.65 1.70 0.35 0.04 0.00 0.00 177.00 178.37 3hgj h PHE 132 N 2.24 0.09 -2.88 0.56 3.57 -1.81 -3.46 116.94 115.25 3hgj h PHE 132 Ca -0.50 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.08 3hgj h PHE 132 Cb 1.26 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.02 3hgj h PHE 132 CO 0.52 -0.06 0.33 0.34 -2.23 0.00 0.00 178.31 177.22 3hgj s ASP 133 N -5.28 -0.05 0.44 0.41 -1.08 -1.26 -4.68 116.67 105.17 3hgj s ASP 133 Ca -0.13 -0.93 -0.23 0.00 -0.52 0.00 0.00 52.55 50.74 3hgj s ASP 133 Cb 0.16 0.75 -0.10 0.00 -1.46 0.00 0.00 42.92 42.26 3hgj s ASP 133 CO 0.73 -1.46 0.89 -0.62 0.52 0.00 0.00 175.17 175.22 3hgj n GLU 134 N -0.54 1.10 -0.76 4.34 1.02 -1.26 -0.30 120.64 124.25 3hgj n GLU 134 Ca -0.07 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 3hgj n GLU 134 Cb 0.60 -1.92 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 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 1.35 0.56 3.87 0.62 0.00 -1.26 -5.01 105.19 105.32 3hgj n GLY 135 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.60 3.61 0.45 1.61 2.02 0.59 -4.70 117.35 118.33 3hgj s TYR 136 Ca 0.00 0.73 -0.23 0.00 -0.37 0.00 0.00 57.07 57.20 3hgj s TYR 136 Cb 0.00 -2.11 -0.08 0.00 -0.40 0.00 0.00 41.96 39.38 3hgj s TYR 136 CO 0.00 0.58 1.17 -1.25 -1.57 0.00 0.00 175.55 174.48 3hgj s PRO 137 N -1.68 3.80 0.14 -1.71 0.04 -1.26 -4.78 135.00 129.55 3hgj s PRO 137 Ca 0.29 1.79 -0.31 0.00 0.04 0.00 0.00 61.00 62.80 3hgj s PRO 137 Cb -0.14 -2.45 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 3hgj s PRO 137 CO 0.16 -0.52 1.47 0.08 0.04 0.00 0.00 177.00 178.23 3hgj s VAL 138 N -1.53 2.98 0.51 -0.36 1.01 -1.26 -4.50 120.40 117.26 3hgj s VAL 138 Ca 0.63 0.71 -0.18 0.00 0.00 0.00 0.00 61.98 63.13 3hgj s VAL 138 Cb -0.29 -3.45 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 3hgj s VAL 138 CO 0.35 0.06 1.01 -2.16 0.00 0.00 0.00 175.10 174.36 3hgj s PRO 139 N 1.07 3.81 -0.23 2.72 0.04 -1.26 -4.79 135.00 136.36 3hgj s PRO 139 Ca 0.67 1.14 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 3hgj s PRO 139 Cb -0.40 -2.11 0.01 0.00 0.04 0.00 0.00 34.50 32.04 3hgj s PRO 139 CO 0.31 -0.40 1.04 -2.00 0.04 0.00 0.00 177.00 175.99 3hgj s GLU 140 N -3.73 4.26 0.16 4.56 2.12 0.16 -4.22 118.70 122.02 3hgj s GLU 140 Ca 0.62 1.36 -0.31 0.00 0.36 0.00 0.00 54.97 57.00 3hgj s GLU 140 Cb -0.13 -3.64 -0.10 0.00 0.26 0.00 0.00 34.13 30.53 3hgj s GLU 140 CO 0.27 -0.62 1.51 -2.14 -0.54 0.00 0.00 175.26 173.73 3hgj s PRO 141 N 3.17 4.25 0.41 4.30 0.02 -1.25 -1.86 135.00 144.04 3hgj s PRO 141 Ca 0.44 2.28 -0.25 0.00 0.02 0.00 0.00 61.00 63.49 3hgj s PRO 141 Cb -0.15 -3.17 -0.08 0.00 0.02 0.00 0.00 34.50 31.11 3hgj s PRO 141 CO 0.06 -0.54 1.20 -0.51 -0.33 0.00 0.00 177.00 176.89 3hgj s LEU 142 N 0.94 4.16 0.54 -5.54 1.43 0.32 -4.89 118.68 115.64 3hgj s LEU 142 Ca 0.67 2.41 0.09 0.00 -1.03 0.00 0.00 54.13 56.28 3hgj s LEU 142 Cb -0.42 -4.04 0.07 0.00 0.03 0.00 0.00 46.19 41.83 3hgj s LEU 142 CO 0.32 -0.78 0.73 1.51 0.23 0.00 0.00 176.35 178.37 3hgj s ASP 143 N -1.09 5.19 0.32 2.29 1.47 -1.26 -4.88 116.67 118.71 3hgj s ASP 143 Ca 0.58 -0.78 0.04 0.00 1.18 0.00 0.00 52.55 53.58 3hgj s ASP 143 Cb -0.32 0.11 0.65 0.00 -0.34 0.00 0.00 42.92 43.02 3hgj s ASP 143 CO 0.40 -1.21 1.87 -0.33 0.68 0.00 0.00 175.17 176.58 3hgj h GLU 144 N 0.30 0.86 -0.59 2.11 5.08 -1.99 0.11 114.58 120.46 3hgj h GLU 144 Ca -0.32 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 57.89 3hgj h GLU 144 Cb 1.29 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 3hgj h GLU 144 CO 0.42 0.57 0.00 0.00 -1.00 0.00 0.00 179.01 179.00 3hgj h ALA 145 N 1.56 0.79 -0.57 3.43 0.00 -1.99 -1.53 119.26 120.95 3hgj h ALA 145 Ca 0.45 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3hgj h ALA 145 Cb 0.50 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3hgj h ALA 145 CO -0.21 0.63 -0.04 0.78 0.00 0.00 0.00 179.25 180.40 3hgj h GLY 146 N 0.93 1.12 1.00 0.00 0.00 -1.61 -0.85 103.07 103.66 3hgj h GLY 146 Ca 0.17 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.64 3hgj h GLY 146 CO 0.03 0.78 0.40 -0.33 0.00 0.00 0.00 176.54 177.43 3hgj h MET 147 N 0.92 0.95 -0.35 4.80 2.07 -0.71 -1.32 114.93 121.30 3hgj h MET 147 Ca 0.16 -0.10 -0.08 0.00 -2.07 0.00 0.00 59.70 57.61 3hgj h MET 147 Cb 0.60 -0.19 -0.02 0.00 -1.87 0.00 0.00 31.60 30.12 3hgj h MET 147 CO 0.04 0.69 -0.13 1.49 1.07 0.00 0.00 176.91 180.07 3hgj h GLU 148 N 0.95 0.61 -0.23 1.72 4.57 -1.04 -0.28 114.58 120.87 3hgj h GLU 148 Ca 0.25 -0.19 -0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3hgj h GLU 148 Cb -0.00 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3hgj h GLU 148 CO -0.04 0.72 0.14 -0.09 -1.18 0.00 0.00 179.01 178.56 3hgj h ARG 149 N 0.56 0.32 -0.15 1.92 2.43 -0.75 -1.54 114.38 117.17 3hgj h ARG 149 Ca 0.10 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.12 3hgj h ARG 149 Cb 0.55 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3hgj h ARG 149 CO 0.03 0.26 -0.42 0.82 -1.51 0.00 0.00 179.97 179.16 3hgj h ILE 150 N 0.28 1.31 -0.42 1.20 2.04 -0.94 -0.40 117.51 120.58 3hgj h ILE 150 Ca 0.08 -1.56 -0.10 0.00 1.00 0.00 0.00 64.86 64.28 3hgj h ILE 150 Cb 0.03 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3hgj h ILE 150 CO -0.02 0.47 -0.16 0.25 0.00 0.00 0.00 178.15 178.70 3hgj h LEU 151 N 0.29 0.79 -0.82 1.44 6.46 -0.98 -0.84 115.31 121.66 3hgj h LEU 151 Ca 0.03 -0.26 -0.12 0.00 -0.12 0.00 0.00 57.88 57.41 3hgj h LEU 151 Cb 0.86 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 3hgj h LEU 151 CO 0.07 0.96 -0.39 1.56 -0.62 0.00 0.00 178.44 180.02 3hgj h GLN 152 N 0.70 0.41 -0.60 1.25 1.08 -1.00 -1.94 115.11 115.02 3hgj h GLN 152 Ca 0.11 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 3hgj h GLN 152 Cb 0.66 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.06 3hgj h GLN 152 CO 0.05 0.74 0.25 0.00 -0.95 0.00 0.00 178.83 178.92 3hgj h ALA 153 N 1.24 1.31 -0.31 3.87 0.00 -0.47 0.41 119.26 125.31 3hgj h ALA 153 Ca 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 3hgj h ALA 153 Cb 0.84 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hgj h ALA 153 CO 0.07 0.52 0.02 0.74 0.00 0.00 0.00 179.25 180.59 3hgj h PHE 154 N 0.86 0.57 -0.38 0.00 0.04 -0.93 0.94 116.94 118.05 3hgj h PHE 154 Ca 0.21 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 3hgj h PHE 154 Cb 0.15 -0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3hgj h PHE 154 CO 0.01 0.65 0.13 0.28 -0.60 0.00 0.00 178.31 178.78 3hgj h VAL 155 N 0.34 1.20 -0.24 -0.55 2.07 -1.13 0.86 116.25 118.80 3hgj h VAL 155 Ca 0.09 -0.65 -0.12 0.00 0.82 0.00 0.00 66.70 66.84 3hgj h VAL 155 Cb 0.41 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 3hgj h VAL 155 CO 0.01 0.23 -0.35 -0.33 0.02 0.00 0.00 177.57 177.15 3hgj h GLU 156 N 0.46 0.52 -0.33 1.57 4.39 -0.93 -0.50 114.58 119.76 3hgj h GLU 156 Ca 0.12 -0.24 0.05 0.00 0.34 0.00 0.00 59.36 59.63 3hgj h GLU 156 Cb 0.23 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.83 3hgj h GLU 156 CO -0.01 0.80 0.05 0.78 -1.16 0.00 0.00 179.01 179.47 3hgj h GLY 157 N 1.06 0.36 0.99 -3.84 0.00 -0.55 -1.02 103.07 100.07 3hgj h GLY 157 Ca 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3hgj h GLY 157 CO 0.07 -0.03 0.28 0.00 0.00 0.00 0.00 176.54 176.86 3hgj h ALA 158 N 1.25 0.74 -0.74 3.60 0.00 -0.55 -1.65 119.26 121.92 3hgj h ALA 158 Ca 0.15 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3hgj h ALA 158 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3hgj h ALA 158 CO -0.22 0.30 0.27 0.00 0.00 0.00 0.00 179.25 179.60 3hgj h ARG 159 N 0.78 1.12 -0.39 0.00 3.08 -0.98 -2.05 114.38 115.94 3hgj h ARG 159 Ca 0.20 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3hgj h ARG 159 Cb 0.11 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3hgj h ARG 159 CO -0.03 0.93 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.68 3hgj h ARG 160 N 1.07 0.70 -0.96 0.04 2.43 -1.01 -1.80 114.38 114.86 3hgj h ARG 160 Ca 0.24 -0.24 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 3hgj h ARG 160 Cb 0.25 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 29.68 3hgj h ARG 160 CO -0.02 0.82 0.62 0.00 -1.51 0.00 0.00 179.97 179.88 3hgj h ALA 161 N 0.86 1.50 -0.22 2.80 0.00 -1.18 -0.86 119.26 122.15 3hgj h ALA 161 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3hgj h ALA 161 Cb 0.52 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3hgj h ALA 161 CO 0.03 0.34 -0.10 -0.07 0.00 0.00 0.00 179.25 179.44 3hgj h LEU 162 N 1.06 0.46 -2.72 0.00 3.38 -1.08 -1.15 115.31 115.26 3hgj h LEU 162 Ca 0.43 -0.41 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hgj h LEU 162 Cb 0.27 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3hgj h LEU 162 CO -0.18 0.77 -0.00 0.03 0.09 0.00 0.00 178.44 179.15 3hgj h ARG 163 N 0.16 0.00 -0.00 1.13 3.08 -0.91 -0.72 114.38 117.11 3hgj h ARG 163 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3hgj h ARG 163 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3hgj h ARG 163 CO 0.03 0.00 -0.18 0.00 -1.07 0.00 0.00 179.97 178.75 3hgj n ALA 164 N -2.20 2.90 -0.08 0.04 0.00 -0.37 -4.93 120.51 115.89 3hgj n ALA 164 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.10 3hgj n ALA 164 Cb 0.08 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 1.33 0.63 3.76 0.00 0.00 -0.28 -4.19 105.19 106.45 3hgj n GLY 165 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.12 3.39 -0.32 1.61 0.08 -0.50 -4.81 117.98 115.31 3hgj s PHE 166 Ca 0.00 1.59 0.08 0.00 0.12 0.00 0.00 56.93 58.73 3hgj s PHE 166 Cb 0.00 -3.42 -0.10 0.00 -0.57 0.00 0.00 43.02 38.92 3hgj s PHE 166 CO 0.00 -1.02 0.33 1.04 -0.10 0.00 0.00 175.22 175.47 3hgj n GLN 167 N 1.10 3.43 -4.45 0.44 6.02 0.11 -4.44 117.38 119.60 3hgj n GLN 167 Ca -0.01 -0.02 -0.27 0.00 -0.01 0.00 0.00 57.00 56.69 3hgj n GLN 167 Cb 0.44 -0.96 -0.17 0.00 1.02 0.00 0.00 30.24 30.57 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 -1.96 1.38 -0.20 5.09 1.01 -1.21 -4.01 120.40 120.50 3hgj s VAL 168 Ca 0.02 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 3hgj s VAL 168 Cb 0.06 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.15 3hgj s VAL 168 CO 0.35 0.42 0.01 -0.63 0.00 0.00 0.00 175.10 175.25 3hgj s ILE 169 N 0.97 4.10 -0.13 2.22 -1.09 -1.13 -1.98 121.20 124.16 3hgj s ILE 169 Ca -0.08 -0.26 -0.01 0.00 -2.23 0.00 0.00 60.65 58.07 3hgj s ILE 169 Cb -0.15 -2.86 -0.02 0.00 -1.58 0.00 0.00 42.46 37.85 3hgj s ILE 169 CO -0.01 0.43 -0.10 -0.70 -1.23 0.00 0.00 174.94 173.33 3hgj s GLU 170 N 0.95 3.41 -0.16 2.79 2.12 -0.41 -0.78 118.70 126.61 3hgj s GLU 170 Ca 0.02 -0.63 -0.16 0.00 0.36 0.00 0.00 54.97 54.56 3hgj s GLU 170 Cb -0.14 -2.71 -0.04 0.00 0.26 0.00 0.00 34.13 31.50 3hgj s GLU 170 CO 0.02 0.26 0.41 -0.51 -0.54 0.00 0.00 175.26 174.91 3hgj s LEU 171 N 0.25 4.22 -0.90 2.70 1.43 -0.47 0.03 118.68 125.94 3hgj s LEU 171 Ca -0.07 0.63 -0.23 0.00 -1.03 0.00 0.00 54.13 53.43 3hgj s LEU 171 Cb -0.15 -2.56 0.06 0.00 0.03 0.00 0.00 46.19 43.57 3hgj s LEU 171 CO 0.04 -0.02 1.31 -2.28 0.23 0.00 0.00 176.35 175.64 3hgj s HIS 172 N 0.89 2.57 -0.38 0.29 5.65 -0.56 -1.73 115.29 122.01 3hgj s HIS 172 Ca 0.21 -0.69 0.06 0.00 0.25 0.00 0.00 55.06 54.89 3hgj s HIS 172 Cb -0.14 -4.58 0.51 0.00 -1.18 0.00 0.00 32.58 27.18 3hgj s HIS 172 CO 0.08 -1.88 1.57 -1.33 -0.65 0.00 0.00 174.74 172.53 3hgj n MET 173 N 8.55 2.41 -4.69 2.88 2.81 -0.18 -4.55 117.12 124.35 3hgj n MET 173 Ca 0.20 -3.40 -0.31 0.00 -1.81 0.00 0.00 57.70 52.39 3hgj n MET 173 Cb 0.50 -2.05 -0.08 0.00 -0.71 0.00 0.00 33.22 30.88 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 -3.45 3.72 -1.39 3.04 0.00 -1.13 -3.46 121.76 119.09 3hgj s ALA 174 Ca 0.51 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3hgj s ALA 174 Cb 0.44 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.75 3hgj s ALA 174 CO 0.02 -0.10 0.00 0.72 0.00 0.00 0.00 175.76 176.40 3hgj n HIS 175 N -1.14 -0.49 -1.00 0.00 8.25 -1.21 -2.43 115.22 117.20 3hgj n HIS 175 Ca -0.14 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.32 3hgj n HIS 175 Cb 0.67 -2.99 -0.00 0.00 1.12 0.00 0.00 29.99 28.78 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 -1.05 0.19 0.00 -1.41 0.00 -1.25 -4.27 105.19 97.40 3hgj n GLY 176 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.36 -3.28 0.29 1.61 4.01 -1.02 -4.42 117.16 111.99 3hgj n TYR 177 Ca -0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.56 3hgj n TYR 177 Cb 0.32 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.26 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 -1.40 -0.70 7.72 5.85 -1.20 0.25 115.31 125.83 3hgj h LEU 178 Ca 0.00 0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 3hgj h LEU 178 Cb 0.00 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3hgj h LEU 178 CO 0.00 -0.67 -0.50 -0.07 -0.34 0.00 0.00 178.44 176.86 3hgj h LEU 179 N -1.00 0.41 -1.10 2.25 3.38 -1.80 -2.01 115.31 115.43 3hgj h LEU 179 Ca -0.06 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 3hgj h LEU 179 Cb 0.87 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 3hgj h LEU 179 CO -0.07 0.84 0.47 -1.28 0.09 0.00 0.00 178.44 178.49 3hgj h SER 180 N 0.29 0.96 0.75 -0.43 0.87 -1.53 -2.85 113.55 111.62 3hgj h SER 180 Ca 0.01 -0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.42 3hgj h SER 180 Cb 0.99 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 3hgj h SER 180 CO 0.09 0.75 -0.43 0.77 -0.53 0.00 0.00 176.83 177.47 3hgj h SER 181 N 1.11 0.00 -0.04 6.23 4.64 0.20 -2.09 113.55 123.59 3hgj h SER 181 Ca 0.29 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.55 3hgj h SER 181 Cb -0.03 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3hgj h SER 181 CO -0.05 0.43 -0.13 -0.26 -0.87 0.00 0.00 176.83 175.95 3hgj h PHE 182 N 0.00 0.38 0.07 4.77 0.04 -1.21 -3.25 116.94 117.74 3hgj h PHE 182 Ca -0.00 -0.05 -0.26 0.00 2.80 0.00 0.00 57.97 60.45 3hgj h PHE 182 Cb 0.92 -0.10 0.02 0.00 2.20 0.00 0.00 35.95 38.99 3hgj h PHE 182 CO 0.00 0.49 -1.07 -0.07 -0.60 0.00 0.00 178.31 177.06 3hgj h LEU 183 N 0.33 0.82 -9.39 1.54 3.38 -1.26 -3.43 115.31 107.31 3hgj h LEU 183 Ca 0.06 -0.80 -0.54 0.00 0.09 0.00 0.00 57.88 56.69 3hgj h LEU 183 Cb 0.44 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3hgj h LEU 183 CO 0.03 1.52 0.48 -0.55 0.09 0.00 0.00 178.44 180.01 3hgj s SER 184 N -7.26 7.26 0.00 -0.43 0.15 -1.04 -4.85 113.70 107.53 3hgj s SER 184 Ca -0.10 1.72 0.12 0.00 0.70 0.00 0.00 55.95 58.39 3hgj s SER 184 Cb 0.05 -2.57 0.53 0.00 -1.71 0.00 0.00 66.02 62.32 3hgj s SER 184 CO 0.91 -0.37 1.37 -0.81 1.20 0.00 0.00 173.24 175.54 3hgj n PRO 185 N 4.25 0.03 0.12 5.44 -0.04 -1.26 -1.23 135.00 142.30 3hgj n PRO 185 Ca 0.08 0.28 -0.02 0.00 -0.04 0.00 0.00 63.50 63.79 3hgj n PRO 185 Cb 0.49 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.56 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 -3.32 115.31 114.99 3hgj h LEU 186 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3hgj h LEU 186 Cb 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3hgj h LEU 186 CO 0.00 0.69 -1.77 -1.54 0.09 0.00 0.00 178.44 175.91 3hgj n SER 187 N -3.66 1.72 -4.18 -0.43 3.41 -0.98 -4.92 113.62 104.58 3hgj n SER 187 Ca -0.01 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.23 3hgj n SER 187 Cb 0.69 1.29 -0.12 0.00 -0.26 0.00 0.00 64.21 65.81 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 -4.08 5.25 -0.32 4.04 3.84 -0.37 -3.99 114.94 119.31 3hgj s ASN 188 Ca -0.06 -1.63 0.07 0.00 0.21 0.00 0.00 52.86 51.45 3hgj s ASN 188 Cb 0.07 -1.84 0.47 0.00 -0.55 0.00 0.00 41.25 39.40 3hgj s ASN 188 CO 0.57 -0.45 1.38 0.00 -2.79 0.00 0.00 177.10 175.82 3hgj n GLN 189 N 4.69 2.58 -1.56 0.43 1.13 -1.26 -4.40 117.38 118.99 3hgj n GLN 189 Ca -0.08 -3.61 -0.32 0.00 -1.94 0.00 0.00 57.00 51.05 3hgj n GLN 189 Cb 0.43 -2.02 0.07 0.00 0.11 0.00 0.00 30.24 28.82 3hgj n GLN 189 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hgj s ARG 190 N -3.45 2.55 0.00 -1.09 0.52 -1.26 -4.94 118.95 111.28 3hgj s ARG 190 Ca 0.48 1.35 0.00 0.00 -0.52 0.00 0.00 55.73 57.04 3hgj s ARG 190 Cb 0.41 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.96 3hgj s ARG 190 CO -0.00 -1.44 0.39 0.25 0.02 0.00 0.00 175.30 174.52 3hgj n THR 191 N -2.82 0.00 0.00 0.02 -2.24 -1.26 -3.20 114.28 104.78 3hgj n THR 191 Ca 0.10 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3hgj n THR 191 Cb 0.52 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 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 -0.22 0.00 0.00 3.42 5.68 -1.26 -4.94 116.55 119.23 3hgj n ASP 192 Ca 0.00 0.00 0.13 0.00 -0.50 0.00 0.00 54.79 54.42 3hgj n ASP 192 Cb 0.00 0.00 0.64 0.00 -1.14 0.00 0.00 41.12 40.62 3hgj n ASP 192 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hgj n ALA 193 N -3.00 2.30 0.18 2.12 0.00 -1.26 -3.73 120.51 117.11 3hgj n ALA 193 Ca 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.40 3hgj n ALA 193 Cb 0.00 -1.43 0.14 0.00 0.00 0.00 0.00 19.45 18.16 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 -1.34 0.33 -3.94 0.00 4.01 -1.26 -4.51 117.16 110.44 3hgj n TYR 194 Ca 0.11 -0.26 -0.09 0.00 -0.16 0.00 0.00 57.90 57.50 3hgj n TYR 194 Cb 0.24 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 39.18 3hgj n TYR 194 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 3hgj s GLY 195 N -1.12 0.35 0.00 2.72 0.00 -1.24 -3.96 107.32 104.06 3hgj s GLY 195 Ca 0.25 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.13 3hgj s GLY 195 CO 0.20 -0.90 0.00 0.61 0.00 0.00 0.00 173.10 173.01 3hgj n GLY 196 N -0.12 1.37 3.75 0.20 0.00 -1.19 -4.58 105.19 104.63 3hgj n GLY 196 Ca -0.11 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.80 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 4.39 0.26 1.61 1.04 -1.26 -4.77 113.70 110.97 3hgj s SER 197 Ca 0.00 1.92 -0.03 0.00 0.48 0.00 0.00 55.95 58.32 3hgj s SER 197 Cb 0.00 -2.53 0.43 0.00 0.10 0.00 0.00 66.02 64.02 3hgj s SER 197 CO 0.00 -2.11 1.84 0.25 0.98 0.00 0.00 173.24 174.19 3hgj h LEU 198 N -1.00 0.83 -0.97 2.42 5.85 -1.97 0.18 115.31 120.66 3hgj h LEU 198 Ca -0.44 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 3hgj h LEU 198 Cb 1.24 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 3hgj h LEU 198 CO 0.50 0.49 0.43 -0.33 -0.34 0.00 0.00 178.44 179.19 3hgj h GLU 199 N 0.94 1.16 -0.19 1.25 3.07 -1.98 -1.88 114.58 116.95 3hgj h GLU 199 Ca 0.43 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 59.09 3hgj h GLU 199 Cb 0.33 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 3hgj h GLU 199 CO -0.23 0.86 -0.09 -0.91 -1.40 0.00 0.00 179.01 177.25 3hgj h ASN 200 N 1.16 0.41 0.03 1.42 4.21 -0.99 -2.24 115.58 119.57 3hgj h ASN 200 Ca 0.29 -0.41 -0.03 0.00 1.21 0.00 0.00 56.30 57.36 3hgj h ASN 200 Cb 0.06 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 37.14 3hgj h ASN 200 CO -0.04 0.72 -0.08 0.03 -1.29 0.00 0.00 177.43 176.77 3hgj h ARG 201 N 0.09 0.12 0.00 0.81 3.08 -0.82 -0.68 114.38 116.98 3hgj h ARG 201 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hgj h ARG 201 Cb 0.57 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.60 3hgj h ARG 201 CO 0.03 0.21 0.00 0.52 -1.07 0.00 0.00 179.97 179.66 3hgj h MET 202 N 0.12 0.00 0.37 0.04 2.86 -1.16 -3.34 114.93 113.82 3hgj h MET 202 Ca 0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3hgj h MET 202 Cb 0.22 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3hgj h MET 202 CO 0.01 0.00 -0.37 -0.09 1.06 0.00 0.00 176.91 177.52 3hgj h ARG 203 N 0.00 -0.74 -0.14 1.72 2.43 -0.50 0.21 114.38 117.36 3hgj h ARG 203 Ca 0.00 0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 3hgj h ARG 203 Cb 0.80 0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3hgj h ARG 203 CO 0.00 -0.49 -0.14 0.35 -1.51 0.00 0.00 179.97 178.18 3hgj h PHE 204 N -0.77 0.41 -1.00 2.20 3.57 -1.79 -0.20 116.94 119.36 3hgj h PHE 204 Ca -0.03 -0.12 0.17 0.00 3.53 0.00 0.00 57.97 61.52 3hgj h PHE 204 Cb 0.69 -0.09 -0.10 0.00 2.79 0.00 0.00 35.95 39.24 3hgj h PHE 204 CO -0.21 0.74 0.61 -1.35 -2.23 0.00 0.00 178.31 175.87 3hgj h PRO 205 N -0.04 0.79 -0.01 6.41 0.11 -1.77 0.89 132.00 138.39 3hgj h PRO 205 Ca 0.02 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.95 3hgj h PRO 205 Cb 0.67 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 3hgj h PRO 205 CO 0.03 0.52 -0.62 -0.07 -0.21 0.00 0.00 178.00 177.66 3hgj h LEU 206 N 0.81 0.03 -0.31 2.35 3.38 -0.26 -1.62 115.31 119.70 3hgj h LEU 206 Ca 0.56 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.48 3hgj h LEU 206 Cb 0.80 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3hgj h LEU 206 CO -0.36 0.64 0.09 1.56 0.09 0.00 0.00 178.44 180.46 3hgj h GLN 207 N 0.02 0.48 -0.41 1.13 4.20 0.48 -0.98 115.11 120.04 3hgj h GLN 207 Ca -0.01 -0.11 0.03 0.00 0.06 0.00 0.00 58.65 58.62 3hgj h GLN 207 Cb 1.10 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 3hgj h GLN 207 CO 0.08 0.54 0.22 0.28 -0.67 0.00 0.00 178.83 179.28 3hgj h VAL 208 N 0.34 1.00 -0.20 -0.54 2.07 -0.64 -1.83 116.25 116.45 3hgj h VAL 208 Ca 0.10 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3hgj h VAL 208 Cb 0.26 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 3hgj h VAL 208 CO -0.00 0.08 0.05 0.00 0.02 0.00 0.00 177.57 177.72 3hgj h ALA 209 N 1.20 0.21 -0.08 1.67 0.00 -1.15 -1.63 119.26 119.48 3hgj h ALA 209 Ca 0.17 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hgj h ALA 209 Cb 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hgj h ALA 209 CO -0.10 -0.38 0.05 0.37 0.00 0.00 0.00 179.25 179.19 3hgj h GLN 210 N 0.13 0.11 0.00 0.00 4.15 -0.93 -0.40 115.11 118.17 3hgj h GLN 210 Ca 0.09 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.43 3hgj h GLN 210 Cb 0.07 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3hgj h GLN 210 CO -0.11 0.09 -0.32 0.00 -1.93 0.00 0.00 178.83 176.56 3hgj h ALA 211 N 1.01 1.23 0.08 3.38 0.00 -1.16 -2.45 119.26 121.36 3hgj h ALA 211 Ca 0.03 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.38 3hgj h ALA 211 Cb 0.00 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hgj h ALA 211 CO -0.01 0.40 -1.14 0.28 0.00 0.00 0.00 179.25 178.79 3hgj h VAL 212 N 0.00 1.36 -0.41 0.00 2.07 -1.07 -3.19 116.25 115.02 3hgj h VAL 212 Ca -0.00 -2.57 0.12 0.00 0.82 0.00 0.00 66.70 65.07 3hgj h VAL 212 Cb 0.67 2.64 -0.02 0.00 -1.52 0.00 0.00 31.29 33.05 3hgj h VAL 212 CO 0.04 0.77 0.32 -0.09 0.02 0.00 0.00 177.57 178.63 3hgj h ARG 213 N 0.23 0.00 0.00 1.57 9.65 -0.61 -0.90 114.38 124.32 3hgj h ARG 213 Ca -0.14 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.73 3hgj h ARG 213 Cb 1.80 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 30.38 3hgj h ARG 213 CO 0.21 0.00 -0.06 0.93 2.80 0.00 0.00 179.97 183.84 3hgj h GLU 214 N 0.00 0.00 -0.00 0.20 5.08 -1.47 -3.25 114.58 115.14 3hgj h GLU 214 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3hgj h GLU 214 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3hgj h GLU 214 CO -0.00 0.06 -0.77 1.33 -1.00 0.00 0.00 179.01 178.63 3hgj n VAL 215 N -3.12 0.00 -3.19 3.13 0.24 -0.39 -4.84 118.33 110.16 3hgj n VAL 215 Ca 0.03 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.34 61.80 3hgj n VAL 215 Cb 0.53 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.85 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 -2.58 4.94 0.32 3.34 1.01 -0.90 -4.88 120.40 121.64 3hgj s VAL 216 Ca 0.08 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.91 3hgj s VAL 216 Cb 0.13 -4.09 -0.13 0.00 0.00 0.00 0.00 36.38 32.29 3hgj s VAL 216 CO 0.69 -0.42 0.94 -2.65 0.00 0.00 0.00 175.10 173.66 3hgj n PRO 217 N 5.95 1.22 0.18 2.72 -0.02 -1.26 -4.78 135.00 139.02 3hgj n PRO 217 Ca -0.04 0.43 0.13 0.00 -2.02 0.00 0.00 63.50 62.01 3hgj n PRO 217 Cb 0.48 -1.81 0.64 0.00 -0.02 0.00 0.00 33.50 32.80 3hgj n PRO 217 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3hgj h ARG 218 N 1.75 0.00 0.00 -0.52 1.12 -1.96 0.20 114.38 114.98 3hgj h ARG 218 Ca -0.40 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.47 3hgj h ARG 218 Cb 1.35 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.31 3hgj h ARG 218 CO 0.59 0.00 -0.17 -0.85 -3.11 0.00 0.00 179.97 176.43 3hgj n GLU 219 N -2.43 0.08 -3.69 0.20 0.00 -1.26 -4.73 120.64 108.81 3hgj n GLU 219 Ca -0.00 0.05 -0.37 0.00 0.00 0.00 0.00 57.16 56.84 3hgj n GLU 219 Cb 0.13 -1.58 -0.06 0.00 0.00 0.00 0.00 31.44 29.93 3hgj n GLU 219 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3hgj s LEU 220 N -3.42 4.39 0.21 -1.84 1.43 0.70 -1.11 118.68 119.04 3hgj s LEU 220 Ca 0.12 0.64 -0.30 0.00 -1.03 0.00 0.00 54.13 53.56 3hgj s LEU 220 Cb 0.17 -2.29 -0.08 0.00 0.03 0.00 0.00 46.19 44.01 3hgj s LEU 220 CO 0.60 0.33 1.17 -2.16 0.23 0.00 0.00 176.35 176.52 3hgj s PRO 221 N -0.78 4.53 -0.27 1.29 0.05 -1.26 -4.81 135.00 133.75 3hgj s PRO 221 Ca 0.18 1.86 -0.09 0.00 0.05 0.00 0.00 61.00 63.00 3hgj s PRO 221 Cb -0.14 -3.22 -0.03 0.00 0.05 0.00 0.00 34.50 31.16 3hgj s PRO 221 CO 0.07 -0.01 0.12 -1.17 0.05 0.00 0.00 177.00 176.06 3hgj s LEU 222 N -0.59 3.75 0.12 -3.56 2.96 -1.26 -2.83 118.68 117.27 3hgj s LEU 222 Ca 0.50 -0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 54.12 3hgj s LEU 222 Cb -0.32 -1.99 -0.05 0.00 0.50 0.00 0.00 46.19 44.32 3hgj s LEU 222 CO 0.38 -0.08 0.35 -0.36 -1.32 0.00 0.00 176.35 175.32 3hgj s PHE 223 N 1.65 3.49 -0.05 5.38 0.40 0.04 -0.89 117.98 127.99 3hgj s PHE 223 Ca 0.06 0.52 0.03 0.00 -0.60 0.00 0.00 56.93 56.94 3hgj s PHE 223 Cb -0.16 -1.97 0.00 0.00 0.51 0.00 0.00 43.02 41.40 3hgj s PHE 223 CO 0.06 0.47 -0.14 0.08 0.70 0.00 0.00 175.22 176.39 3hgj s VAL 224 N -1.60 1.22 -0.11 -0.44 1.01 -0.56 -1.36 120.40 118.55 3hgj s VAL 224 Ca 0.39 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.75 3hgj s VAL 224 Cb -0.12 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 3hgj s VAL 224 CO 0.24 0.36 0.05 -0.60 0.00 0.00 0.00 175.10 175.16 3hgj s ARG 225 N 0.30 3.27 0.03 2.72 3.52 -0.71 0.11 118.95 128.19 3hgj s ARG 225 Ca -0.08 -0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 3hgj s ARG 225 Cb -0.13 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.26 3hgj s ARG 225 CO 0.03 0.66 -0.05 0.54 -0.81 0.00 0.00 175.30 175.67 3hgj s VAL 226 N -0.74 0.31 -0.58 7.11 0.11 -0.53 -1.01 120.40 125.07 3hgj s VAL 226 Ca 0.12 -0.99 -0.28 0.00 -2.93 0.00 0.00 61.98 57.90 3hgj s VAL 226 Cb -0.12 -0.43 0.02 0.00 -1.53 0.00 0.00 36.38 34.33 3hgj s VAL 226 CO 0.03 -0.44 1.27 -0.44 -3.33 0.00 0.00 175.10 172.18 3hgj s SER 227 N -1.51 6.34 0.52 3.54 0.01 -1.26 -0.21 113.70 121.13 3hgj s SER 227 Ca -0.13 0.15 0.23 0.00 1.31 0.00 0.00 55.95 57.51 3hgj s SER 227 Cb -0.10 -2.55 1.41 0.00 0.21 0.00 0.00 66.02 64.99 3hgj s SER 227 CO -0.00 -1.57 2.11 0.00 0.41 0.00 0.00 173.24 174.19 3hgj h ALA 228 N 10.04 1.56 -2.36 1.44 0.00 -0.88 -3.42 119.26 125.64 3hgj h ALA 228 Ca -0.26 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 3hgj h ALA 228 Cb 1.07 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.70 3hgj h ALA 228 CO 1.19 0.11 -0.55 -0.08 0.00 0.00 0.00 179.25 179.91 3hgj s THR 229 N -4.55 0.18 -1.72 0.00 -1.32 -1.26 -2.74 115.64 104.23 3hgj s THR 229 Ca -0.04 -1.58 0.16 0.00 -1.21 0.00 0.00 61.69 59.02 3hgj s THR 229 Cb 0.15 -1.50 0.30 0.00 -1.51 0.00 0.00 72.50 69.94 3hgj s THR 229 CO 0.62 -0.81 1.21 -0.90 -2.21 0.00 0.00 174.62 172.53 3hgj n ASP 230 N 0.02 2.92 0.00 8.08 3.85 -0.96 -0.18 116.55 130.27 3hgj n ASP 230 Ca -0.14 -1.86 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 3hgj n ASP 230 Cb 0.62 -0.18 0.00 0.00 -1.35 0.00 0.00 41.12 40.20 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 0.98 0.00 -3.31 2.11 7.02 -1.26 -4.68 117.44 118.30 3hgj n TRP 231 Ca 0.14 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.25 3hgj n TRP 231 Cb 0.47 -0.97 -0.06 0.00 -2.42 0.00 0.00 31.31 28.33 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 2.54 0.21 6.99 0.00 -1.26 -4.66 107.32 109.14 3hgj s GLY 232 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 44.72 44.34 3hgj s GLY 232 CO 0.00 0.29 1.43 1.18 0.00 0.00 0.00 173.10 176.00 3hgj n GLU 233 N 1.13 1.97 -0.33 2.90 -0.58 -1.26 -0.51 120.64 123.96 3hgj n GLU 233 Ca -0.07 0.71 0.00 0.00 -0.42 0.00 0.00 57.16 57.38 3hgj n GLU 233 Cb 0.51 -2.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.00 3hgj n GLU 233 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hgj n GLY 234 N 2.49 2.02 1.30 0.62 0.00 -1.26 -5.00 105.19 105.35 3hgj n GLY 234 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.00 -1.39 3.73 -0.02 0.00 0.33 -4.79 105.19 101.05 3hgj n GLY 235 Ca 0.00 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.96 3.06 0.47 1.61 -0.11 -1.26 -4.89 118.94 115.86 3hgj s TRP 236 Ca 0.25 0.76 0.04 0.00 1.22 0.00 0.00 56.10 58.38 3hgj s TRP 236 Cb -0.01 -3.88 -0.04 0.00 -1.50 0.00 0.00 33.47 28.05 3hgj s TRP 236 CO 0.18 -3.14 0.07 -1.54 -4.62 0.00 0.00 176.95 167.91 3hgj s SER 237 N 0.93 4.15 0.23 5.86 1.04 -1.26 -2.27 113.70 122.38 3hgj s SER 237 Ca 0.67 -1.43 -0.06 0.00 0.48 0.00 0.00 55.95 55.60 3hgj s SER 237 Cb -0.43 0.06 0.38 0.00 0.10 0.00 0.00 66.02 66.13 3hgj s SER 237 CO 0.34 -0.70 1.74 0.25 0.98 0.00 0.00 173.24 175.86 3hgj h LEU 238 N 1.43 0.30 -0.66 2.42 5.85 -1.91 -1.05 115.31 121.68 3hgj h LEU 238 Ca -0.43 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.43 3hgj h LEU 238 Cb 1.28 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.32 3hgj h LEU 238 CO 0.74 0.14 0.38 -0.33 -0.34 0.00 0.00 178.44 179.04 3hgj h GLU 239 N 0.46 0.70 -0.51 1.25 4.39 -1.96 -1.07 114.58 117.84 3hgj h GLU 239 Ca 0.37 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 60.02 3hgj h GLU 239 Cb 0.50 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 3hgj h GLU 239 CO -0.35 0.46 0.29 -0.44 -1.16 0.00 0.00 179.01 177.81 3hgj h ASP 240 N 0.72 0.64 -0.97 1.42 3.32 -1.73 -2.62 116.42 117.21 3hgj h ASP 240 Ca 0.29 -0.09 0.07 0.00 0.02 0.00 0.00 57.03 57.32 3hgj h ASP 240 Cb 0.14 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 3hgj h ASP 240 CO -0.16 0.54 0.63 0.74 -1.72 0.00 0.00 179.24 179.27 3hgj h THR 241 N 0.69 1.07 -0.29 0.35 2.02 -0.60 0.87 112.91 117.02 3hgj h THR 241 Ca 0.18 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 67.00 3hgj h THR 241 Cb 0.04 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.29 3hgj h THR 241 CO -0.03 0.20 0.14 -0.07 0.37 0.00 0.00 175.52 176.14 3hgj h LEU 242 N 1.11 0.21 -0.33 2.58 3.38 -0.86 0.19 115.31 121.59 3hgj h LEU 242 Ca 0.42 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.40 3hgj h LEU 242 Cb 0.20 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3hgj h LEU 242 CO -0.17 0.16 0.21 0.00 0.09 0.00 0.00 178.44 178.74 3hgj h ALA 243 N 1.15 0.42 -0.71 1.53 0.00 -1.06 -0.60 119.26 120.00 3hgj h ALA 243 Ca 0.12 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3hgj h ALA 243 Cb 0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 3hgj h ALA 243 CO -0.08 -0.10 0.38 0.35 0.00 0.00 0.00 179.25 179.80 3hgj h PHE 244 N 0.44 0.69 -0.55 0.00 3.57 -0.62 -2.66 116.94 117.81 3hgj h PHE 244 Ca 0.12 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.55 3hgj h PHE 244 Cb -0.02 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 3hgj h PHE 244 CO -0.05 0.30 -0.05 0.00 -2.23 0.00 0.00 178.31 176.28 3hgj h ALA 245 N 1.39 0.74 -0.42 2.41 0.00 -0.10 -1.16 119.26 122.12 3hgj h ALA 245 Ca 0.33 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3hgj h ALA 245 Cb 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3hgj h ALA 245 CO -0.22 0.61 0.23 0.00 0.00 0.00 0.00 179.25 179.87 3hgj h ARG 246 N 0.88 0.46 -0.73 0.00 3.08 -0.79 0.15 114.38 117.42 3hgj h ARG 246 Ca 0.15 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3hgj h ARG 246 Cb 0.60 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.52 3hgj h ARG 246 CO 0.04 0.30 0.20 0.00 -1.07 0.00 0.00 179.97 179.44 3hgj h ARG 247 N 0.47 1.14 -0.54 0.04 2.47 -1.31 -1.67 114.38 114.98 3hgj h ARG 247 Ca 0.17 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 3hgj h ARG 247 Cb 0.04 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.18 3hgj h ARG 247 CO -0.10 0.99 0.30 -0.07 0.56 0.00 0.00 179.97 181.65 3hgj h LEU 248 N 1.09 0.67 -0.29 3.04 3.38 -0.71 -1.28 115.31 121.22 3hgj h LEU 248 Ca 0.23 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.16 3hgj h LEU 248 Cb 0.34 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3hgj h LEU 248 CO -0.00 0.57 0.00 0.50 0.09 0.00 0.00 178.44 179.59 3hgj h LYS 249 N 0.73 0.09 0.00 1.13 3.64 -0.41 -1.68 116.57 120.07 3hgj h LYS 249 Ca 0.19 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3hgj h LYS 249 Cb 0.04 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3hgj h LYS 249 CO -0.03 0.06 -0.08 0.93 -2.27 0.00 0.00 179.45 178.05 3hgj h GLU 250 N 0.09 0.00 0.00 1.90 5.08 -0.68 -1.58 114.58 119.38 3hgj h GLU 250 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3hgj h GLU 250 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3hgj h GLU 250 CO -0.23 0.08 0.00 1.28 -1.00 0.00 0.00 179.01 179.14 3hgj n LEU 251 N -3.72 0.00 0.00 1.33 4.77 -0.54 -4.92 117.00 113.93 3hgj n LEU 251 Ca -0.02 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3hgj n LEU 251 Cb 0.19 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3hgj n LEU 251 CO 0.29 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3hgj n GLY 252 N 1.19 0.73 3.76 -0.72 0.00 -0.60 -4.93 105.19 104.62 3hgj n GLY 252 Ca 0.15 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 3.14 -0.17 1.61 1.01 -0.92 -4.77 120.40 118.30 3hgj s VAL 253 Ca 0.00 1.09 0.14 0.00 0.00 0.00 0.00 61.98 63.21 3hgj s VAL 253 Cb 0.00 -3.69 -0.24 0.00 0.00 0.00 0.00 36.38 32.45 3hgj s VAL 253 CO 0.00 0.24 0.16 0.47 0.00 0.00 0.00 175.10 175.97 3hgj n ASP 254 N 1.39 0.50 -3.70 3.32 9.92 -0.07 -4.55 116.55 123.36 3hgj n ASP 254 Ca 0.01 0.07 -0.12 0.00 -0.53 0.00 0.00 54.79 54.23 3hgj n ASP 254 Cb 0.43 0.54 -0.09 0.00 -0.64 0.00 0.00 41.12 41.36 3hgj n ASP 254 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3hgj s LEU 255 N -5.80 -0.07 -0.25 0.64 0.20 -1.21 -3.96 118.68 108.24 3hgj s LEU 255 Ca -0.12 1.02 -0.11 0.00 0.69 0.00 0.00 54.13 55.60 3hgj s LEU 255 Cb 0.07 1.66 -0.05 0.00 -0.43 0.00 0.00 46.19 47.44 3hgj s LEU 255 CO 0.80 -0.19 0.19 -0.22 -0.29 0.00 0.00 176.35 176.64 3hgj s LEU 256 N 0.78 4.10 -0.45 -0.68 2.96 -0.11 -1.50 118.68 123.77 3hgj s LEU 256 Ca -0.04 0.12 -0.17 0.00 -0.22 0.00 0.00 54.13 53.81 3hgj s LEU 256 Cb -0.05 -2.14 0.04 0.00 0.50 0.00 0.00 46.19 44.53 3hgj s LEU 256 CO -0.06 0.03 0.48 -0.62 -1.32 0.00 0.00 176.35 174.85 3hgj s ASP 257 N 1.22 6.20 -0.53 3.68 3.68 0.30 -1.04 116.67 130.17 3hgj s ASP 257 Ca 0.08 -0.81 -0.19 0.00 2.13 0.00 0.00 52.55 53.77 3hgj s ASP 257 Cb -0.14 -2.23 0.07 0.00 -1.45 0.00 0.00 42.92 39.16 3hgj s ASP 257 CO 0.06 -0.66 0.65 0.00 0.13 0.00 0.00 175.17 175.36 3hgj n SER 259 N 6.25 0.66 -3.53 0.00 2.88 0.71 -4.23 113.62 116.36 3hgj n SER 259 Ca -0.07 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.39 3hgj n SER 259 Cb 0.45 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.89 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 0.06 -0.35 0.30 -3.46 1.04 -1.26 -0.13 113.70 109.90 3hgj s SER 260 Ca 0.00 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.39 3hgj s SER 260 Cb 0.00 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3hgj s SER 260 CO 0.00 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.17 3hgj n GLY 261 N -0.27 -1.60 2.68 7.32 0.00 0.74 -4.79 105.19 109.27 3hgj n GLY 261 Ca -0.09 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 3.11 0.24 -0.02 0.00 -1.26 -3.30 105.19 103.96 3hgj n GLY 262 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 1.23 -4.19 1.61 2.07 -1.88 -3.31 116.25 111.78 3hgj h VAL 263 Ca 0.00 -0.81 -0.12 0.00 0.82 0.00 0.00 66.70 66.58 3hgj h VAL 263 Cb 0.00 0.83 -0.15 0.00 -1.52 0.00 0.00 31.29 30.45 3hgj h VAL 263 CO 0.00 0.29 -0.62 0.68 0.02 0.00 0.00 177.57 177.94 3hgj s VAL 264 N -5.34 0.19 0.02 2.57 -7.23 -1.26 -4.83 120.40 104.52 3hgj s VAL 264 Ca -0.13 -1.72 0.10 0.00 -1.81 0.00 0.00 61.98 58.43 3hgj s VAL 264 Cb 0.11 -1.58 -0.21 0.00 0.56 0.00 0.00 36.38 35.27 3hgj s VAL 264 CO 0.79 -0.85 0.96 0.25 -0.31 0.00 0.00 175.10 175.94 3hgj h LEU 265 N 3.03 0.00 -6.34 1.32 5.85 -1.87 -3.40 115.31 113.90 3hgj h LEU 265 Ca -0.34 0.00 -0.80 0.00 0.84 0.00 0.00 57.88 57.58 3hgj h LEU 265 Cb 1.16 0.00 -0.25 0.00 0.37 0.00 0.00 40.66 41.94 3hgj h LEU 265 CO 0.63 0.96 1.20 0.54 -0.34 0.00 0.00 178.44 181.43 3hgj n ARG 266 N -3.17 5.04 -4.19 1.25 3.00 -1.26 -4.91 116.66 112.41 3hgj n ARG 266 Ca -0.09 -4.44 -0.19 0.00 -0.01 0.00 0.00 57.85 53.12 3hgj n ARG 266 Cb 0.98 -2.52 -0.12 0.00 0.00 0.00 0.00 32.46 30.80 3hgj n ARG 266 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 3hgj s VAL 267 N -3.35 1.20 -0.08 1.55 -7.23 -1.26 -5.02 120.40 106.21 3hgj s VAL 267 Ca 0.39 -1.34 -0.26 0.00 -1.81 0.00 0.00 61.98 58.96 3hgj s VAL 267 Cb 0.15 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.92 3hgj s VAL 267 CO -0.06 -0.20 0.83 -0.13 -0.31 0.00 0.00 175.10 175.22 3hgj s ARG 268 N -1.77 4.43 -0.24 4.82 0.52 -1.26 -5.05 118.95 120.40 3hgj s ARG 268 Ca -0.01 1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 56.27 3hgj s ARG 268 Cb -0.10 -3.49 0.01 0.00 0.52 0.00 0.00 34.95 31.89 3hgj s ARG 268 CO 0.03 -0.09 -0.04 0.42 0.02 0.00 0.00 175.30 175.63 3hgj s ILE 269 N 1.27 3.14 -1.13 1.52 1.01 -1.26 -4.92 121.20 120.84 3hgj s ILE 269 Ca 0.42 -0.79 -0.17 0.00 0.00 0.00 0.00 60.65 60.11 3hgj s ILE 269 Cb -0.18 -2.53 -0.06 0.00 0.01 0.00 0.00 42.46 39.70 3hgj s ILE 269 CO 0.19 0.28 2.11 -0.81 0.00 0.00 0.00 174.94 176.71 3hgj n PRO 270 N 4.74 2.22 -1.70 2.79 -0.04 -1.26 -4.93 135.00 136.82 3hgj n PRO 270 Ca -0.17 -2.20 -0.44 0.00 -0.04 0.00 0.00 63.50 60.65 3hgj n PRO 270 Cb 0.49 -3.08 -0.03 0.00 -0.04 0.00 0.00 33.50 30.84 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 6.61 3.68 -3.52 1.53 4.77 -1.26 -4.84 117.00 123.97 3hgj n LEU 271 Ca 0.51 1.10 -0.09 0.00 -0.03 0.00 0.00 56.01 57.51 3hgj n LEU 271 Cb 0.38 -1.51 -0.02 0.00 -2.33 0.00 0.00 43.42 39.94 3hgj n LEU 271 CO 0.96 -0.07 0.61 0.00 -1.33 0.00 0.00 177.39 177.55 3hgj s ALA 272 N 0.60 -1.72 0.03 -1.18 0.00 -1.26 -5.02 121.76 113.20 3hgj s ALA 272 Ca 0.72 0.72 -0.35 0.00 0.00 0.00 0.00 51.96 53.06 3hgj s ALA 272 Cb -0.58 0.59 -0.14 0.00 0.00 0.00 0.00 23.12 22.99 3hgj s ALA 272 CO 0.41 -0.76 1.65 -2.30 0.00 0.00 0.00 175.76 174.75 3hgj n PRO 273 N -0.31 1.89 -1.21 0.00 -0.02 -1.26 -1.22 135.00 132.87 3hgj n PRO 273 Ca -0.10 0.69 -0.07 0.00 -2.02 0.00 0.00 63.50 61.99 3hgj n PRO 273 Cb 0.62 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.63 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 3.64 0.86 0.23 -1.23 0.00 -1.10 -4.91 105.19 102.68 3hgj n GLY 274 Ca 0.20 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.01 1.61 -5.15 -1.35 -0.36 116.94 111.69 3hgj h PHE 275 Ca -0.14 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.63 3hgj h PHE 275 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.86 3hgj h PHE 275 CO 0.34 0.00 -0.41 1.04 -2.00 0.00 0.00 178.31 177.28 3hgj n GLN 276 N -2.47 1.90 -0.34 6.09 6.02 -1.26 -4.49 117.38 122.83 3hgj n GLN 276 Ca -0.02 -0.56 0.06 0.00 -0.01 0.00 0.00 57.00 56.47 3hgj n GLN 276 Cb 0.21 -1.22 0.22 0.00 1.02 0.00 0.00 30.24 30.47 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 1.21 0.91 -0.17 5.09 2.07 -1.28 -1.89 116.25 122.18 3hgj h VAL 277 Ca 0.00 -0.32 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3hgj h VAL 277 Cb 0.46 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3hgj h VAL 277 CO 0.00 0.17 0.12 1.55 0.02 0.00 0.00 177.57 179.42 3hgj h PRO 278 N 0.92 0.07 -0.09 1.57 0.13 -1.79 -1.41 132.00 131.40 3hgj h PRO 278 Ca 0.47 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.58 3hgj h PRO 278 Cb 0.46 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 3hgj h PRO 278 CO -0.27 0.05 -0.01 0.74 -0.23 0.00 0.00 178.00 178.28 3hgj h PHE 279 N 0.07 0.18 -0.72 1.56 0.04 -1.66 -1.57 116.94 114.85 3hgj h PHE 279 Ca 0.08 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 3hgj h PHE 279 Cb 0.21 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.28 3hgj h PHE 279 CO -0.00 0.45 0.40 0.00 -0.60 0.00 0.00 178.31 178.56 3hgj h ALA 280 N 0.71 1.35 0.10 2.45 0.00 -1.42 -2.92 119.26 119.53 3hgj h ALA 280 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hgj h ALA 280 Cb 0.38 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hgj h ALA 280 CO 0.01 0.53 -0.05 0.22 0.00 0.00 0.00 179.25 179.96 3hgj h ASP 281 N 1.00 -0.12 -0.56 0.00 1.82 -0.55 -2.42 116.42 115.59 3hgj h ASP 281 Ca 0.25 -0.06 -0.08 0.00 -0.39 0.00 0.00 57.03 56.75 3hgj h ASP 281 Cb 0.01 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 40.03 3hgj h ASP 281 CO -0.04 -0.02 0.03 0.00 -1.61 0.00 0.00 179.24 177.60 3hgj h ALA 282 N 0.68 0.94 -0.14 -0.78 0.00 -1.21 -1.00 119.26 117.76 3hgj h ALA 282 Ca -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3hgj h ALA 282 Cb 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hgj h ALA 282 CO 0.02 0.64 -0.01 0.28 0.00 0.00 0.00 179.25 180.18 3hgj h VAL 283 N 0.92 1.27 0.15 0.00 2.07 -1.56 -0.57 116.25 118.54 3hgj h VAL 283 Ca 0.17 -0.88 0.01 0.00 0.82 0.00 0.00 66.70 66.82 3hgj h VAL 283 Cb 0.49 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3hgj h VAL 283 CO 0.02 0.26 -0.17 -0.09 0.02 0.00 0.00 177.57 177.61 3hgj h ARG 284 N -0.03 -0.35 0.05 1.57 2.43 -1.34 0.13 114.38 116.85 3hgj h ARG 284 Ca 0.04 0.02 -0.23 0.00 -0.81 0.00 0.00 59.98 59.00 3hgj h ARG 284 Cb 0.40 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 3hgj h ARG 284 CO 0.01 -0.23 -1.03 0.87 -1.51 0.00 0.00 179.97 178.07 3hgj h LYS 285 N -0.36 0.23 0.00 0.20 1.57 -1.21 -0.94 116.57 116.06 3hgj h LYS 285 Ca 0.01 -0.32 -0.18 0.00 -1.87 0.00 0.00 60.65 58.29 3hgj h LYS 285 Cb 0.35 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.73 3hgj h LYS 285 CO -0.05 1.08 -1.68 0.54 -0.57 0.00 0.00 179.45 178.77 3hgj n ARG 286 N -3.59 0.64 -0.06 3.15 1.74 -0.22 -4.47 116.66 113.84 3hgj n ARG 286 Ca -0.05 0.12 -0.07 0.00 -0.77 0.00 0.00 57.85 57.07 3hgj n ARG 286 Cb 0.91 -1.71 -0.07 0.00 -1.02 0.00 0.00 32.46 30.56 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 -2.77 0.77 -1.03 1.55 0.31 0.39 -5.02 118.33 112.54 3hgj n VAL 287 Ca -0.13 -0.38 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 3hgj n VAL 287 Cb 0.86 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 2.59 0.53 3.80 2.92 0.00 -0.36 -5.00 105.19 109.67 3hgj n GLY 288 Ca -0.21 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 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 4.36 0.56 0.99 2.96 -1.24 -5.00 118.68 121.32 3hgj s LEU 289 Ca 0.00 0.65 -0.21 0.00 -0.22 0.00 0.00 54.13 54.35 3hgj s LEU 289 Cb 0.00 -2.36 -0.05 0.00 0.50 0.00 0.00 46.19 44.28 3hgj s LEU 289 CO 0.00 0.26 1.28 0.54 -1.32 0.00 0.00 176.35 177.10 3hgj n ARG 290 N 2.58 1.47 -4.31 1.98 1.74 -1.25 -3.75 116.66 115.12 3hgj n ARG 290 Ca -0.15 0.55 -0.22 0.00 -0.77 0.00 0.00 57.85 57.26 3hgj n ARG 290 Cb 0.53 -2.48 -0.12 0.00 -1.02 0.00 0.00 32.46 29.37 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 -1.33 1.73 -0.13 0.55 -4.23 -1.26 -0.94 115.64 110.03 3hgj s THR 291 Ca 0.74 -1.78 -0.04 0.00 -1.18 0.00 0.00 61.69 59.42 3hgj s THR 291 Cb -0.42 -1.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 3hgj s THR 291 CO 0.48 -0.25 0.02 -0.83 -0.54 0.00 0.00 174.62 173.49 3hgj s GLY 292 N -2.42 1.85 -0.00 3.99 0.00 -0.20 -0.40 107.32 110.13 3hgj s GLY 292 Ca 0.12 -0.78 -0.02 0.00 0.00 0.00 0.00 44.72 44.04 3hgj s GLY 292 CO 0.06 -0.28 0.15 0.00 0.00 0.00 0.00 173.10 173.03 3hgj s ALA 293 N -0.27 3.82 0.02 3.20 0.00 -0.10 -1.82 121.76 126.62 3hgj s ALA 293 Ca 0.07 -0.81 -0.24 0.00 0.00 0.00 0.00 51.96 50.98 3hgj s ALA 293 Cb -0.12 -1.77 0.05 0.00 0.00 0.00 0.00 23.12 21.28 3hgj s ALA 293 CO 0.02 0.73 0.54 0.54 0.00 0.00 0.00 175.76 177.59 3hgj s VAL 294 N -1.29 0.03 0.00 0.00 0.11 -1.26 -0.16 120.40 117.82 3hgj s VAL 294 Ca 0.26 -0.21 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 3hgj s VAL 294 Cb -0.12 -0.94 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 3hgj s VAL 294 CO 0.18 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.44 3hgj n GLY 295 N 0.60 2.18 3.68 6.54 0.00 -1.26 -4.37 105.19 112.55 3hgj n GLY 295 Ca -0.19 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.20 -4.48 0.99 4.77 -1.26 -2.72 117.00 111.09 3hgj n LEU 296 Ca 0.00 -0.73 -0.38 0.00 -0.03 0.00 0.00 56.01 54.87 3hgj n LEU 296 Cb 0.00 -2.79 -0.12 0.00 -2.33 0.00 0.00 43.42 38.19 3hgj n LEU 296 CO 0.00 0.46 -0.20 -0.63 -1.33 0.00 0.00 177.39 175.69 3hgj s ILE 297 N -3.47 4.79 0.00 -0.08 1.01 -1.26 -3.46 121.20 118.73 3hgj s ILE 297 Ca 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.67 3hgj s ILE 297 Cb -0.12 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 38.97 3hgj s ILE 297 CO 0.79 0.14 0.01 0.35 0.00 0.00 0.00 174.94 176.22 3hgj n THR 298 N 5.01 0.00 -4.63 2.92 -2.24 -1.26 -4.78 114.28 109.29 3hgj n THR 298 Ca -0.14 -0.16 -0.24 0.00 -2.27 0.00 0.00 64.05 61.24 3hgj n THR 298 Cb 0.50 1.03 -0.14 0.00 -2.10 0.00 0.00 70.33 69.61 3hgj n THR 298 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hgj s THR 299 N -0.31 1.41 0.26 4.28 -4.23 -1.26 -5.03 115.64 110.75 3hgj s THR 299 Ca 0.00 -0.98 -0.01 0.00 -1.18 0.00 0.00 61.69 59.53 3hgj s THR 299 Cb 0.00 -1.22 0.24 0.00 1.34 0.00 0.00 72.50 72.87 3hgj s THR 299 CO 0.00 0.22 1.76 -0.65 -0.54 0.00 0.00 174.62 175.41 3hgj h PRO 300 N 5.19 0.60 -0.40 3.99 0.11 -1.97 -1.89 132.00 137.63 3hgj h PRO 300 Ca -0.39 -0.04 -0.15 0.00 0.11 0.00 0.00 66.00 65.53 3hgj h PRO 300 Cb 1.16 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3hgj h PRO 300 CO 0.45 0.40 -0.34 0.93 -0.21 0.00 0.00 178.00 179.23 3hgj h GLU 301 N 0.62 0.94 0.14 1.05 3.07 -1.95 0.21 114.58 118.66 3hgj h GLU 301 Ca 0.47 -0.47 0.02 0.00 -0.50 0.00 0.00 59.36 58.88 3hgj h GLU 301 Cb 0.67 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.54 3hgj h GLU 301 CO -0.37 1.13 -0.35 0.37 -1.40 0.00 0.00 179.01 178.39 3hgj h GLN 302 N 0.78 -0.57 -0.51 2.33 4.15 -1.96 -0.52 115.11 118.81 3hgj h GLN 302 Ca 0.07 0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.62 3hgj h GLN 302 Cb 0.93 0.13 -0.07 0.00 0.21 0.00 0.00 27.48 28.67 3hgj h GLN 302 CO 0.09 -0.38 0.08 0.00 -1.93 0.00 0.00 178.83 176.69 3hgj h ALA 303 N 0.00 0.56 -0.51 3.38 0.00 -1.12 -2.47 119.26 119.10 3hgj h ALA 303 Ca 0.03 0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3hgj h ALA 303 Cb 0.61 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3hgj h ALA 303 CO -0.20 -0.32 0.17 1.49 0.00 0.00 0.00 179.25 180.39 3hgj h GLU 304 N 0.21 0.79 -0.27 0.00 4.57 -0.89 -3.13 114.58 115.86 3hgj h GLU 304 Ca 0.26 -0.17 -0.07 0.00 -1.18 0.00 0.00 59.36 58.20 3hgj h GLU 304 Cb 0.36 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3hgj h GLU 304 CO -0.35 0.73 -0.11 1.15 -1.18 0.00 0.00 179.01 179.25 3hgj h THR 305 N 0.69 1.29 -0.28 0.32 2.02 -0.99 0.42 112.91 116.39 3hgj h THR 305 Ca 0.17 -1.17 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 3hgj h THR 305 Cb 0.27 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3hgj h THR 305 CO -0.01 0.37 0.07 0.17 0.37 0.00 0.00 175.52 176.49 3hgj h LEU 306 N 0.28 0.36 -0.30 2.58 8.10 -1.50 -0.81 115.31 124.03 3hgj h LEU 306 Ca 0.06 -0.04 -0.05 0.00 0.11 0.00 0.00 57.88 57.97 3hgj h LEU 306 Cb 0.60 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.72 3hgj h LEU 306 CO 0.03 0.37 0.01 -0.07 -4.11 0.00 0.00 178.44 174.67 3hgj h LEU 307 N 0.40 0.51 -1.64 0.17 3.38 -1.43 -0.22 115.31 116.48 3hgj h LEU 307 Ca 0.10 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.84 3hgj h LEU 307 Cb 0.16 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3hgj h LEU 307 CO -0.00 0.69 0.37 1.56 0.09 0.00 0.00 178.44 181.14 3hgj h GLN 308 N 0.32 0.41 0.00 1.13 1.08 -0.05 -0.60 115.11 117.39 3hgj h GLN 308 Ca 0.08 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 3hgj h GLN 308 Cb 0.42 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.76 3hgj h GLN 308 CO 0.01 0.27 0.00 0.00 -0.95 0.00 0.00 178.83 178.17 3hgj n ALA 309 N -2.51 2.36 -0.95 3.87 0.00 -0.39 -4.90 120.51 117.98 3hgj n ALA 309 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3hgj n ALA 309 Cb 0.31 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 1.21 0.41 0.15 0.00 0.00 -0.23 -4.95 105.19 101.78 3hgj n GLY 310 Ca 0.11 -1.03 0.06 0.00 0.00 0.00 0.00 46.02 45.17 3hgj n GLY 310 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hgj h SER 311 N 0.00 0.00 -5.16 1.61 0.02 -1.23 -3.44 113.55 105.34 3hgj h SER 311 Ca 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3hgj h SER 311 Cb 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 3hgj h SER 311 CO 0.00 0.30 -0.01 0.00 -1.14 0.00 0.00 176.83 175.98 3hgj s ALA 312 N -3.08 -0.57 -0.07 3.77 0.00 -1.25 -1.91 121.76 118.65 3hgj s ALA 312 Ca 0.03 -0.67 0.20 0.00 0.00 0.00 0.00 51.96 51.53 3hgj s ALA 312 Cb 0.07 0.99 -0.31 0.00 0.00 0.00 0.00 23.12 23.87 3hgj s ALA 312 CO 0.74 -0.90 0.36 -0.25 0.00 0.00 0.00 175.76 175.71 3hgj n ASP 313 N -0.40 0.13 -3.92 0.00 9.92 0.46 -4.68 116.55 118.06 3hgj n ASP 313 Ca -0.03 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.08 3hgj n ASP 313 Cb 0.61 1.72 -0.15 0.00 -0.64 0.00 0.00 41.12 42.66 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 -4.73 1.88 -0.25 0.64 2.96 -0.99 -4.88 118.68 113.30 3hgj s LEU 314 Ca -0.08 -0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 53.70 3hgj s LEU 314 Cb 0.12 -0.22 -0.01 0.00 0.50 0.00 0.00 46.19 46.58 3hgj s LEU 314 CO 0.87 0.03 0.03 -0.69 -1.32 0.00 0.00 176.35 175.27 3hgj s VAL 315 N 0.08 3.87 -0.06 1.68 1.01 0.69 -0.92 120.40 126.76 3hgj s VAL 315 Ca -0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 3hgj s VAL 315 Cb -0.04 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 3hgj s VAL 315 CO -0.00 0.29 0.32 -0.76 0.00 0.00 0.00 175.10 174.95 3hgj s LEU 316 N 1.53 4.42 -0.13 3.92 1.02 0.77 -0.30 118.68 129.91 3hgj s LEU 316 Ca 0.05 0.76 0.02 0.00 0.02 0.00 0.00 54.13 54.98 3hgj s LEU 316 Cb -0.15 -2.42 0.02 0.00 0.02 0.00 0.00 46.19 43.66 3hgj s LEU 316 CO 0.01 0.31 -0.17 -0.76 0.02 0.00 0.00 176.35 175.76 3hgj s LEU 317 N -0.81 1.82 0.00 1.79 1.43 0.13 -4.42 118.68 118.62 3hgj s LEU 317 Ca 0.20 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 3hgj s LEU 317 Cb -0.15 -1.21 0.00 0.00 0.03 0.00 0.00 46.19 44.87 3hgj s LEU 317 CO 0.09 0.01 0.00 0.61 0.23 0.00 0.00 176.35 177.30 3hgj n GLY 318 N 4.33 0.12 0.34 -3.19 0.00 -1.26 -1.12 105.19 104.41 3hgj n GLY 318 Ca -0.19 0.00 0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 0.63 0.00 1.61 3.08 -1.96 -0.87 114.38 116.87 3hgj h ARG 319 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 3hgj h ARG 319 Cb 0.00 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 3hgj h ARG 319 CO 0.00 0.42 -0.07 -0.24 -1.07 0.00 0.00 179.97 179.01 3hgj h VAL 320 N 0.65 0.74 0.00 2.04 3.04 -1.89 -0.02 116.25 120.82 3hgj h VAL 320 Ca 0.59 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 3hgj h VAL 320 Cb 1.02 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 3hgj h VAL 320 CO -0.43 0.07 -0.14 -0.07 -1.01 0.00 0.00 177.57 175.99 3hgj h LEU 321 N 0.00 0.00 -0.69 3.16 3.38 -1.36 0.30 115.31 120.10 3hgj h LEU 321 Ca -0.00 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 3hgj h LEU 321 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3hgj h LEU 321 CO 0.01 0.02 -0.62 -0.07 0.09 0.00 0.00 178.44 177.86 3hgj h LEU 322 N 0.00 0.00 0.00 1.67 3.38 -0.93 -3.23 115.31 116.20 3hgj h LEU 322 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hgj h LEU 322 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3hgj h LEU 322 CO 0.00 0.62 -0.85 -2.11 0.09 0.00 0.00 178.44 176.19 3hgj n ARG 323 N -3.70 2.23 -3.09 1.13 1.85 -1.10 -4.76 116.66 109.22 3hgj n ARG 323 Ca -0.01 -0.03 -0.20 0.00 -1.00 0.00 0.00 57.85 56.61 3hgj n ARG 323 Cb 0.64 -1.14 -0.04 0.00 -1.05 0.00 0.00 32.46 30.86 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 -1.47 -0.48 0.34 2.89 2.03 0.11 -5.00 116.55 114.96 3hgj n ASP 324 Ca 0.01 -2.85 0.23 0.00 0.52 0.00 0.00 54.79 52.70 3hgj n ASP 324 Cb 0.23 -0.08 1.21 0.00 -0.72 0.00 0.00 41.12 41.76 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 3.94 0.00 -0.45 -0.67 0.13 -1.73 -0.56 132.00 132.66 3hgj h PRO 325 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3hgj h PRO 325 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3hgj h PRO 325 CO 0.43 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.86 3hgj n TYR 326 N -3.06 0.58 -0.12 1.56 4.02 -1.26 -4.24 117.16 114.64 3hgj n TYR 326 Ca -0.03 -0.30 0.00 0.00 -0.01 0.00 0.00 57.90 57.56 3hgj n TYR 326 Cb 0.07 -0.00 0.02 0.00 -0.02 0.00 0.00 39.34 39.41 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 1.48 0.03 0.03 -0.72 7.35 -0.22 -1.80 117.46 123.62 3hgj n PHE 327 Ca 0.20 0.39 -0.02 0.00 -0.76 0.00 0.00 57.45 57.25 3hgj n PHE 327 Cb 0.60 -0.63 0.24 0.00 0.35 0.00 0.00 39.48 40.04 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 0.43 -0.84 -7.13 0.11 -1.81 0.54 132.00 123.31 3hgj h PRO 328 Ca 0.12 -0.15 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 3hgj h PRO 328 Cb 0.20 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.23 3hgj h PRO 328 CO -0.31 0.63 0.42 -0.07 -0.21 0.00 0.00 178.00 178.46 3hgj h LEU 329 N 0.38 1.08 -0.87 2.35 3.38 -0.89 -1.98 115.31 118.76 3hgj h LEU 329 Ca 0.06 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 3hgj h LEU 329 Cb 0.60 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3hgj h LEU 329 CO 0.04 0.90 -0.41 -0.09 0.09 0.00 0.00 178.44 178.97 3hgj h ARG 330 N 1.18 0.33 -0.53 1.13 2.43 -0.97 -3.08 114.38 114.87 3hgj h ARG 330 Ca 0.29 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 59.22 3hgj h ARG 330 Cb 0.09 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3hgj h ARG 330 CO -0.04 0.69 0.01 0.00 -1.51 0.00 0.00 179.97 179.12 3hgj h ALA 331 N 1.30 0.71 -0.29 2.80 0.00 0.34 -1.79 119.26 122.34 3hgj h ALA 331 Ca 0.03 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.71 3hgj h ALA 331 Cb 0.84 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 3hgj h ALA 331 CO 0.07 0.52 -0.17 0.00 0.00 0.00 0.00 179.25 179.67 3hgj h ALA 332 N 0.95 0.04 -0.14 0.00 0.00 -1.28 -1.64 119.26 117.19 3hgj h ALA 332 Ca 0.15 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 3hgj h ALA 332 Cb 0.52 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3hgj h ALA 332 CO 0.03 -0.57 0.08 -0.22 0.00 0.00 0.00 179.25 178.56 3hgj h LYS 333 N -0.14 0.20 -0.41 0.00 3.64 -1.50 0.15 116.57 118.51 3hgj h LYS 333 Ca 0.15 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.63 3hgj h LYS 333 Cb 0.37 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 3hgj h LYS 333 CO -0.37 0.21 0.50 0.00 -2.27 0.00 0.00 179.45 177.51 3hgj h ALA 334 N 0.98 2.10 -0.56 5.00 0.00 -1.03 -1.90 119.26 123.85 3hgj h ALA 334 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hgj h ALA 334 Cb 0.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hgj h ALA 334 CO -0.01 -0.71 0.00 1.28 0.00 0.00 0.00 179.25 179.81 3hgj n LEU 335 N -3.56 3.49 -0.25 0.00 4.77 0.29 -4.94 117.00 116.79 3hgj n LEU 335 Ca 0.07 -1.99 -0.03 0.00 -0.03 0.00 0.00 56.01 54.03 3hgj n LEU 335 Cb 0.67 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 3hgj n LEU 335 CO 0.25 0.87 -0.03 0.61 -1.33 0.00 0.00 177.39 177.76 3hgj n GLY 336 N 1.14 0.63 3.83 -0.72 0.00 -0.71 -4.79 105.19 104.57 3hgj n GLY 336 Ca 0.19 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.09 5.02 -0.36 1.61 1.01 0.09 -5.01 120.40 120.67 3hgj s VAL 337 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.45 3hgj s VAL 337 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.11 3hgj s VAL 337 CO 0.00 0.39 1.21 0.00 0.00 0.00 0.00 175.10 176.71 3hgj s ALA 338 N -1.19 3.31 0.25 5.51 0.00 -1.26 -3.28 121.76 125.10 3hgj s ALA 338 Ca 0.23 -0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.78 3hgj s ALA 338 Cb -0.12 -3.80 -0.09 0.00 0.00 0.00 0.00 23.12 19.11 3hgj s ALA 338 CO 0.13 -1.88 1.22 -1.25 0.00 0.00 0.00 175.76 173.98 3hgj s PRO 339 N 4.18 4.48 -0.50 0.00 0.04 -1.26 -4.92 135.00 137.03 3hgj s PRO 339 Ca 0.52 1.98 -0.27 0.00 0.04 0.00 0.00 61.00 63.27 3hgj s PRO 339 Cb -0.13 -3.17 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 3hgj s PRO 339 CO 0.24 -0.06 1.81 -2.00 0.04 0.00 0.00 177.00 177.03 3hgj s GLU 340 N -0.96 2.94 -0.00 4.56 2.12 -1.26 -4.96 118.70 121.14 3hgj s GLU 340 Ca 0.50 0.93 0.08 0.00 0.36 0.00 0.00 54.97 56.84 3hgj s GLU 340 Cb -0.35 -4.29 -0.02 0.00 0.26 0.00 0.00 34.13 29.72 3hgj s GLU 340 CO 0.42 -2.34 -0.26 0.08 -0.54 0.00 0.00 175.26 172.63 3hgj s VAL 341 N 8.06 2.12 0.30 3.70 1.01 -1.26 -4.92 120.40 129.40 3hgj s VAL 341 Ca 0.71 -1.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 3hgj s VAL 341 Cb -0.16 -1.76 -0.12 0.00 0.00 0.00 0.00 36.38 34.34 3hgj s VAL 341 CO 0.26 0.52 1.50 -2.65 0.00 0.00 0.00 175.10 174.73 3hgj n PRO 342 N 2.25 2.47 -0.33 2.72 -0.02 -1.26 -4.84 135.00 135.99 3hgj n PRO 342 Ca -0.16 0.87 0.24 0.00 -2.02 0.00 0.00 63.50 62.43 3hgj n PRO 342 Cb 0.51 -2.59 0.53 0.00 -0.02 0.00 0.00 33.50 31.93 3hgj n PRO 342 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3hgj h PRO 343 N 4.07 0.34 0.00 0.52 0.13 -2.01 0.29 132.00 135.34 3hgj h PRO 343 Ca -0.47 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3hgj h PRO 343 Cb 1.25 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hgj h PRO 343 CO 0.74 0.22 -0.01 1.96 -0.23 0.00 0.00 178.00 180.68 3hgj h GLN 344 N 0.35 0.00 -0.11 0.86 7.50 -2.06 -2.57 115.11 119.08 3hgj h GLN 344 Ca 0.60 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.75 3hgj h GLN 344 Cb 1.61 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.14 3hgj h GLN 344 CO -0.29 0.01 0.00 0.66 -1.50 0.00 0.00 178.83 177.72 3hgj n TYR 345 N -3.25 0.12 -0.27 2.96 4.01 1.00 -4.63 117.16 117.10 3hgj n TYR 345 Ca -0.02 -0.10 0.09 0.00 -0.16 0.00 0.00 57.90 57.70 3hgj n TYR 345 Cb 0.13 -0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.38 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 2.72 0.29 0.00 -0.72 5.75 -1.30 0.53 115.11 122.39 3hgj h GLN 346 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3hgj h GLN 346 Cb 0.63 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.11 3hgj h GLN 346 CO 0.00 0.19 0.00 0.54 -2.65 0.00 0.00 178.83 176.91 3hgj n ARG 347 N -5.14 0.08 0.01 1.69 3.00 -1.26 -1.98 116.66 113.07 3hgj n ARG 347 Ca 0.17 0.39 0.13 0.00 -0.01 0.00 0.00 57.85 58.53 3hgj n ARG 347 Cb 0.55 -1.68 0.38 0.00 0.00 0.00 0.00 32.46 31.70 3hgj n ARG 347 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hgj n GLY 348 N -0.35 -1.39 0.00 -0.13 0.00 0.19 -5.27 105.19 98.24 3hgj n GLY 348 Ca 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3hgj n GLY 348 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01