#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 0.61 -1.60 0.00 3.38 -1.95 -2.03 115.31 113.72 3hgj h LEU 3 Ca 0.00 -0.03 0.29 0.00 0.09 0.00 0.00 57.88 58.24 3hgj h LEU 3 Cb 0.00 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 3hgj h LEU 3 CO 0.00 0.46 0.73 0.25 0.09 0.00 0.00 178.44 179.97 3hgj h LEU 4 N 0.71 0.28 -3.03 1.67 5.85 -1.91 -1.80 115.31 117.07 3hgj h LEU 4 Ca 0.19 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 3hgj h LEU 4 Cb -0.04 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3hgj h LEU 4 CO -0.04 0.05 -0.38 0.49 -0.34 0.00 0.00 178.44 178.22 3hgj n PHE 5 N -4.47 0.09 -3.60 1.25 3.72 -0.79 -1.41 117.46 112.25 3hgj n PHE 5 Ca 0.25 -1.41 -0.37 0.00 -0.05 0.00 0.00 57.45 55.87 3hgj n PHE 5 Cb 1.01 -0.25 -0.07 0.00 -0.94 0.00 0.00 39.48 39.23 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 -3.17 5.28 0.76 4.37 -4.23 -0.68 -4.85 115.64 113.12 3hgj s THR 6 Ca 0.38 0.55 -0.15 0.00 -1.18 0.00 0.00 61.69 61.28 3hgj s THR 6 Cb 0.36 -3.60 0.02 0.00 1.34 0.00 0.00 72.50 70.62 3hgj s THR 6 CO -0.05 0.48 0.93 -2.65 -0.54 0.00 0.00 174.62 172.79 3hgj n PRO 7 N 2.82 0.33 -4.95 3.99 -0.02 -1.23 -4.12 135.00 131.81 3hgj n PRO 7 Ca -0.14 0.17 -0.29 0.00 -2.02 0.00 0.00 63.50 61.22 3hgj n PRO 7 Cb 0.53 -2.20 -0.17 0.00 -0.02 0.00 0.00 33.50 31.64 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 -3.22 1.93 -0.16 2.45 2.96 -0.18 -4.93 118.68 117.53 3hgj s LEU 8 Ca 0.71 -0.47 -0.22 0.00 -0.22 0.00 0.00 54.13 53.93 3hgj s LEU 8 Cb -0.32 -1.21 -0.03 0.00 0.50 0.00 0.00 46.19 45.13 3hgj s LEU 8 CO 0.53 0.11 0.66 -1.61 -1.32 0.00 0.00 176.35 174.71 3hgj s GLU 9 N 0.50 4.28 -0.06 1.98 0.41 -1.26 0.02 118.70 124.57 3hgj s GLU 9 Ca -0.16 0.71 -0.04 0.00 -0.41 0.00 0.00 54.97 55.07 3hgj s GLU 9 Cb -0.17 -3.54 0.03 0.00 -1.78 0.00 0.00 34.13 28.67 3hgj s GLU 9 CO 0.06 -0.15 0.14 -0.51 -0.49 0.00 0.00 175.26 174.31 3hgj s LEU 10 N 1.59 1.11 0.00 1.80 1.43 -1.02 -5.01 118.68 118.58 3hgj s LEU 10 Ca 0.31 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 3hgj s LEU 10 Cb -0.16 0.41 0.00 0.00 0.03 0.00 0.00 46.19 46.47 3hgj s LEU 10 CO 0.12 -0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.21 3hgj n GLY 11 N 3.61 3.63 0.63 -3.19 0.00 -1.26 -1.61 105.19 106.99 3hgj n GLY 11 Ca -0.19 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 45.85 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 3.12 3.86 -0.02 0.00 0.14 -4.92 105.19 107.37 3hgj n GLY 12 Ca 0.00 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.45 3.20 -0.13 0.99 0.05 -0.63 -5.03 118.68 115.68 3hgj s LEU 13 Ca 0.26 -0.91 -0.01 0.00 0.05 0.00 0.00 54.13 53.52 3hgj s LEU 13 Cb 0.16 -1.75 0.03 0.00 -2.05 0.00 0.00 46.19 42.58 3hgj s LEU 13 CO 0.13 -0.74 -0.04 -0.60 -0.55 0.00 0.00 176.35 174.55 3hgj s ARG 14 N -4.13 1.18 0.41 1.48 3.52 -1.26 -2.43 118.95 117.72 3hgj s ARG 14 Ca 0.44 -0.26 -0.23 0.00 -0.13 0.00 0.00 55.73 55.55 3hgj s ARG 14 Cb -0.02 -1.62 -0.09 0.00 -1.56 0.00 0.00 34.95 31.66 3hgj s ARG 14 CO 0.26 -0.37 1.03 -0.51 -0.81 0.00 0.00 175.30 174.90 3hgj s LEU 15 N 1.77 4.08 0.41 -0.88 1.43 0.10 -4.86 118.68 120.73 3hgj s LEU 15 Ca 0.03 1.97 0.23 0.00 -1.03 0.00 0.00 54.13 55.33 3hgj s LEU 15 Cb -0.14 -4.27 0.65 0.00 0.03 0.00 0.00 46.19 42.46 3hgj s LEU 15 CO -0.07 -0.50 1.71 0.07 0.23 0.00 0.00 176.35 177.79 3hgj h LYS 16 N 2.32 0.00 0.00 1.70 2.10 -1.87 -0.45 116.57 120.38 3hgj h LYS 16 Ca -0.48 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.10 3hgj h LYS 16 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.53 3hgj h LYS 16 CO 0.62 0.23 0.09 0.27 -2.00 0.00 0.00 179.45 178.65 3hgj n ASN 17 N -3.26 -1.22 -1.63 7.07 0.23 -1.26 -3.55 115.26 111.64 3hgj n ASN 17 Ca 0.01 -2.02 0.02 0.00 -0.53 0.00 0.00 54.58 52.06 3hgj n ASN 17 Cb 0.51 2.08 0.32 0.00 -2.08 0.00 0.00 39.78 40.61 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 -0.33 3.74 -4.01 -3.83 5.12 -0.50 -4.57 116.66 112.27 3hgj n ARG 18 Ca -0.04 -3.06 -0.35 0.00 -1.93 0.00 0.00 57.85 52.47 3hgj n ARG 18 Cb 0.36 -2.11 -0.10 0.00 -1.16 0.00 0.00 32.46 29.44 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 -2.91 3.76 0.07 0.55 1.43 -1.26 0.32 118.68 120.64 3hgj s LEU 19 Ca 0.51 0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.74 3hgj s LEU 19 Cb 0.41 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 3hgj s LEU 19 CO 0.12 0.16 -0.21 0.00 0.23 0.00 0.00 176.35 176.65 3hgj s ALA 20 N 0.46 1.76 -0.30 4.21 0.00 0.13 -1.79 121.76 126.24 3hgj s ALA 20 Ca 0.03 -1.14 -0.27 0.00 0.00 0.00 0.00 51.96 50.58 3hgj s ALA 20 Cb -0.13 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.71 3hgj s ALA 20 CO 0.01 0.37 0.97 1.41 0.00 0.00 0.00 175.76 178.52 3hgj s MET 21 N -1.51 4.07 0.55 0.00 1.75 0.17 -0.60 119.30 123.72 3hgj s MET 21 Ca 0.07 0.96 -0.20 0.00 -1.25 0.00 0.00 55.69 55.27 3hgj s MET 21 Cb -0.09 -3.72 -0.05 0.00 2.84 0.00 0.00 34.83 33.81 3hgj s MET 21 CO 0.03 -0.78 1.16 0.45 -0.65 0.00 0.00 175.02 175.23 3hgj s SER 22 N 1.56 5.61 0.21 1.11 0.15 0.17 -1.62 113.70 120.89 3hgj s SER 22 Ca 0.41 2.26 -0.32 0.00 0.70 0.00 0.00 55.95 59.00 3hgj s SER 22 Cb -0.13 -2.59 -0.12 0.00 -1.71 0.00 0.00 66.02 61.47 3hgj s SER 22 CO 0.13 -1.30 1.69 -2.16 1.20 0.00 0.00 173.24 172.79 3hgj s PRO 23 N -3.23 4.14 -0.26 5.44 0.04 -1.23 -4.76 135.00 135.14 3hgj s PRO 23 Ca 0.73 2.57 -0.03 0.00 0.04 0.00 0.00 61.00 64.31 3hgj s PRO 23 Cb -0.26 -3.08 0.11 0.00 0.04 0.00 0.00 34.50 31.30 3hgj s PRO 23 CO 0.30 -0.72 0.22 -1.64 0.04 0.00 0.00 177.00 175.20 3hgj s MET 24 N 0.98 0.23 -0.20 4.56 -1.94 -1.26 -4.86 119.30 116.82 3hgj s MET 24 Ca 0.73 -0.15 -0.42 0.00 -1.71 0.00 0.00 55.69 54.13 3hgj s MET 24 Cb -0.49 -1.02 -0.19 0.00 2.01 0.00 0.00 34.83 35.14 3hgj s MET 24 CO 0.34 -0.90 1.39 0.00 -0.01 0.00 0.00 175.02 175.83 3hgj n GLN 26 N 3.05 2.43 -4.38 0.00 1.13 -1.26 -4.99 117.38 113.35 3hgj n GLN 26 Ca 0.24 -0.16 -0.35 0.00 -1.94 0.00 0.00 57.00 54.79 3hgj n GLN 26 Cb 0.05 -1.15 -0.09 0.00 0.11 0.00 0.00 30.24 29.17 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 -1.07 -1.26 -1.08 1.08 4.01 -1.26 -4.86 117.16 112.73 3hgj n TYR 27 Ca 0.03 0.65 0.04 0.00 -0.16 0.00 0.00 57.90 58.47 3hgj n TYR 27 Cb 0.23 -2.52 0.06 0.00 -0.31 0.00 0.00 39.34 36.80 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 -2.73 1.40 -4.87 7.72 7.64 -1.05 -4.84 113.62 116.88 3hgj n SER 28 Ca -0.15 -2.34 -0.29 0.00 1.01 0.00 0.00 58.87 57.10 3hgj n SER 28 Cb 0.60 -0.23 0.09 0.00 -1.01 0.00 0.00 64.21 63.67 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 -1.42 2.47 0.90 -0.43 0.00 -0.06 -4.59 121.76 118.63 3hgj s ALA 29 Ca 0.13 -0.57 -0.12 0.00 0.00 0.00 0.00 51.96 51.41 3hgj s ALA 29 Cb 0.12 -2.99 0.13 0.00 0.00 0.00 0.00 23.12 20.38 3hgj s ALA 29 CO 0.01 -1.75 1.09 0.95 0.00 0.00 0.00 175.76 176.07 3hgj s THR 30 N -3.47 2.63 0.67 0.00 -4.23 -1.07 -4.65 115.64 105.51 3hgj s THR 30 Ca 0.62 0.20 0.35 0.00 -1.18 0.00 0.00 61.69 61.68 3hgj s THR 30 Cb -0.12 -2.69 0.35 0.00 1.34 0.00 0.00 72.50 71.38 3hgj s THR 30 CO 0.51 -0.27 2.08 -0.07 -0.54 0.00 0.00 174.62 176.33 3hgj h LEU 31 N -1.56 0.00 -0.94 4.79 3.38 -1.94 0.50 115.31 119.53 3hgj h LEU 31 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3hgj h LEU 31 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3hgj h LEU 31 CO 0.55 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.46 3hgj n GLU 32 N -2.95 1.62 -1.50 1.13 -0.58 -1.26 -4.90 120.64 112.19 3hgj n GLU 32 Ca -0.02 -0.93 -0.04 0.00 -0.42 0.00 0.00 57.16 55.75 3hgj n GLU 32 Cb 0.27 -1.36 -0.01 0.00 -0.57 0.00 0.00 31.44 29.77 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 1.06 0.48 3.84 0.62 0.00 0.17 -4.77 105.19 106.60 3hgj n GLY 33 Ca 0.15 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.08 4.07 0.32 1.61 2.02 -1.24 -1.69 118.70 120.70 3hgj s GLU 34 Ca 0.00 0.87 -0.29 0.00 0.02 0.00 0.00 54.97 55.57 3hgj s GLU 34 Cb 0.00 -2.29 -0.10 0.00 0.10 0.00 0.00 34.13 31.84 3hgj s GLU 34 CO 0.00 0.01 1.41 0.08 0.02 0.00 0.00 175.26 176.77 3hgj s VAL 35 N -2.18 2.49 0.47 2.63 1.01 -1.26 -2.60 120.40 120.96 3hgj s VAL 35 Ca 0.58 0.46 0.02 0.00 0.00 0.00 0.00 61.98 63.04 3hgj s VAL 35 Cb -0.10 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 3hgj s VAL 35 CO 0.19 0.10 0.03 0.42 0.00 0.00 0.00 175.10 175.84 3hgj s THR 36 N -0.76 1.15 0.55 3.92 -4.23 -1.26 -4.82 115.64 110.18 3hgj s THR 36 Ca 0.54 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 59.35 3hgj s THR 36 Cb -0.43 -2.32 0.46 0.00 1.34 0.00 0.00 72.50 71.55 3hgj s THR 36 CO 0.53 0.00 1.90 0.44 -0.54 0.00 0.00 174.62 176.94 3hgj h ASP 37 N 1.51 0.00 0.08 3.99 3.32 -1.96 -2.32 116.42 121.04 3hgj h ASP 37 Ca -0.42 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 3hgj h ASP 37 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 3hgj h ASP 37 CO 0.71 0.00 -0.04 -0.25 -1.72 0.00 0.00 179.24 177.95 3hgj h TRP 38 N 0.00 -0.10 -0.86 4.55 2.91 -1.95 -1.74 115.95 118.77 3hgj h TRP 38 Ca 0.38 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.40 3hgj h TRP 38 Cb 1.57 0.03 -0.04 0.00 -0.51 0.00 0.00 29.16 30.21 3hgj h TRP 38 CO 0.00 0.05 0.56 0.45 -1.03 0.00 0.00 178.44 178.48 3hgj h HIS 39 N -0.23 1.08 0.00 2.65 -0.00 -1.75 0.77 115.15 117.66 3hgj h HIS 39 Ca -0.01 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.34 3hgj h HIS 39 Cb 0.20 -0.37 -0.01 0.00 -0.00 0.00 0.00 27.41 27.24 3hgj h HIS 39 CO -0.03 0.68 -0.20 -0.07 -0.00 0.00 0.00 177.93 178.31 3hgj h LEU 40 N 1.16 0.00 0.00 2.43 3.38 -1.18 -2.12 115.31 118.99 3hgj h LEU 40 Ca 0.31 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.18 3hgj h LEU 40 Cb -0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3hgj h LEU 40 CO -0.07 0.20 -0.55 0.25 0.09 0.00 0.00 178.44 178.36 3hgj h LEU 41 N 0.00 0.00 -0.31 1.67 5.85 -1.12 -3.37 115.31 118.03 3hgj h LEU 41 Ca -0.00 -0.76 0.06 0.00 0.84 0.00 0.00 57.88 58.03 3hgj h LEU 41 Cb 0.63 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 3hgj h LEU 41 CO 0.03 1.20 -0.10 -0.74 -0.34 0.00 0.00 178.44 178.48 3hgj h HIS 42 N -1.00 -0.23 0.20 1.25 2.76 -0.70 -2.89 115.15 114.54 3hgj h HIS 42 Ca -0.15 0.03 -0.27 0.00 -2.20 0.00 0.00 60.37 57.78 3hgj h HIS 42 Cb 1.11 0.15 0.03 0.00 1.55 0.00 0.00 27.41 30.25 3hgj h HIS 42 CO 0.19 -0.17 -1.17 1.88 -1.30 0.00 0.00 177.93 177.36 3hgj h TYR 43 N -0.04 0.77 0.00 5.26 0.05 -1.64 -3.24 116.97 118.14 3hgj h TYR 43 Ca 0.15 -0.56 -0.00 0.00 0.05 0.00 0.00 58.73 58.37 3hgj h TYR 43 Cb 0.27 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 3hgj h TYR 43 CO -0.31 1.45 -0.01 -1.35 -1.05 0.00 0.00 178.16 176.88 3hgj h PRO 44 N -0.11 0.00 -0.27 4.88 0.11 -1.72 -2.13 132.00 132.76 3hgj h PRO 44 Ca -0.21 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.94 3hgj h PRO 44 Cb 1.92 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.99 3hgj h PRO 44 CO 0.21 0.01 0.04 1.15 -0.21 0.00 0.00 178.00 179.21 3hgj h THR 45 N 0.00 0.86 -0.09 -1.15 2.02 -1.53 -0.37 112.91 112.65 3hgj h THR 45 Ca -0.00 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.06 3hgj h THR 45 Cb 0.54 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3hgj h THR 45 CO 0.00 0.03 -0.28 0.03 0.37 0.00 0.00 175.52 175.67 3hgj h ARG 46 N 0.14 0.17 -0.19 6.66 -0.00 -1.53 0.41 114.38 120.04 3hgj h ARG 46 Ca 0.13 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.98 59.55 3hgj h ARG 46 Cb 0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.09 3hgj h ARG 46 CO -0.18 0.44 0.10 0.00 0.00 0.00 0.00 179.97 180.34 3hgj h ALA 47 N 1.57 0.25 -0.82 0.04 0.00 -0.73 -2.35 119.26 117.21 3hgj h ALA 47 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hgj h ALA 47 Cb 0.58 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3hgj h ALA 47 CO 0.04 -0.22 0.53 -0.07 0.00 0.00 0.00 179.25 179.53 3hgj h LEU 48 N 0.20 0.95 -2.23 0.00 3.38 -0.94 -1.98 115.31 114.69 3hgj h LEU 48 Ca 0.07 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3hgj h LEU 48 Cb 0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3hgj h LEU 48 CO -0.01 0.70 0.26 1.23 0.09 0.00 0.00 178.44 180.71 3hgj h GLY 49 N 1.12 0.00 0.00 0.83 0.00 -0.42 -3.46 103.07 101.14 3hgj h GLY 49 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3hgj h GLY 49 CO -0.06 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.09 3hgj n GLY 50 N -1.24 1.13 3.76 4.60 0.00 -0.74 -2.88 105.19 109.82 3hgj n GLY 50 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 2.63 0.25 1.61 -7.23 -1.23 -4.89 120.40 109.54 3hgj s VAL 51 Ca 0.00 0.52 0.04 0.00 -1.81 0.00 0.00 61.98 60.72 3hgj s VAL 51 Cb 0.00 -3.28 -0.02 0.00 0.56 0.00 0.00 36.38 33.64 3hgj s VAL 51 CO 0.00 0.03 1.60 1.23 -0.31 0.00 0.00 175.10 177.65 3hgj h GLY 52 N 2.20 0.33 -5.44 2.32 0.00 -1.60 -3.40 103.07 97.48 3hgj h GLY 52 Ca -0.50 -0.37 -0.32 0.00 0.00 0.00 0.00 47.33 46.15 3hgj h GLY 52 CO 0.61 0.33 -0.75 -2.27 0.00 0.00 0.00 176.54 174.45 3hgj s LEU 53 N -8.12 1.96 -0.14 3.11 2.96 -1.17 -1.01 118.68 116.28 3hgj s LEU 53 Ca -0.05 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.77 3hgj s LEU 53 Cb 0.12 -0.24 -0.02 0.00 0.50 0.00 0.00 46.19 46.55 3hgj s LEU 53 CO 0.80 0.05 -0.10 -0.63 -1.32 0.00 0.00 176.35 175.14 3hgj s ILE 54 N -0.04 3.34 -0.43 6.68 1.01 -0.42 -0.66 121.20 130.68 3hgj s ILE 54 Ca 0.01 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 3hgj s ILE 54 Cb -0.03 -2.42 0.06 0.00 0.01 0.00 0.00 42.46 40.09 3hgj s ILE 54 CO -0.00 0.52 0.31 -0.76 0.00 0.00 0.00 174.94 175.00 3hgj s LEU 55 N 0.31 5.26 0.45 2.97 1.43 -0.64 0.60 118.68 129.05 3hgj s LEU 55 Ca -0.08 -1.28 -0.25 0.00 -1.03 0.00 0.00 54.13 51.48 3hgj s LEU 55 Cb -0.15 -2.09 -0.08 0.00 0.03 0.00 0.00 46.19 43.90 3hgj s LEU 55 CO 0.05 -0.54 1.42 0.52 0.23 0.00 0.00 176.35 178.03 3hgj n VAL 56 N 5.07 2.77 -0.90 -1.59 0.31 0.27 -3.47 118.33 120.79 3hgj n VAL 56 Ca -0.11 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.37 3hgj n VAL 56 Cb 0.44 -1.83 0.08 0.00 -0.91 0.00 0.00 33.84 31.62 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 -0.17 -0.21 -1.68 5.55 0.28 -1.26 -1.74 120.64 121.41 3hgj n GLU 57 Ca 0.05 -0.04 -0.63 0.00 -0.16 0.00 0.00 57.16 56.38 3hgj n GLU 57 Cb 0.41 -1.37 -0.09 0.00 1.43 0.00 0.00 31.44 31.82 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 -3.11 -0.68 -3.98 -1.84 0.00 -1.26 -4.23 120.51 105.41 3hgj n ALA 58 Ca 0.02 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.53 3hgj n ALA 58 Cb 0.57 -2.08 -0.15 0.00 0.00 0.00 0.00 19.45 17.79 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 3.65 2.36 0.17 0.00 2.01 -0.27 -4.41 115.64 119.15 3hgj s THR 59 Ca 1.04 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 3hgj s THR 59 Cb -1.31 -2.06 -0.08 0.00 0.01 0.00 0.00 72.50 69.06 3hgj s THR 59 CO 0.73 0.44 1.16 0.00 -0.69 0.00 0.00 174.62 176.26 3hgj s ALA 60 N 1.31 3.40 -0.54 7.40 0.00 -0.85 -0.56 121.76 131.92 3hgj s ALA 60 Ca 0.04 0.88 0.24 0.00 0.00 0.00 0.00 51.96 53.12 3hgj s ALA 60 Cb -0.14 -3.39 0.31 0.00 0.00 0.00 0.00 23.12 19.90 3hgj s ALA 60 CO -0.10 -0.31 1.33 -0.39 0.00 0.00 0.00 175.76 176.28 3hgj h VAL 61 N 3.82 0.00 -3.84 0.00 -1.51 -1.60 -1.45 116.25 111.67 3hgj h VAL 61 Ca -0.44 -0.65 -0.12 0.00 -1.23 0.00 0.00 66.70 64.26 3hgj h VAL 61 Cb 1.21 1.29 -0.17 0.00 -2.13 0.00 0.00 31.29 31.49 3hgj h VAL 61 CO 0.74 0.00 -0.51 -1.83 -1.23 0.00 0.00 177.57 174.74 3hgj s GLU 62 N -3.21 0.64 0.29 5.19 -1.05 -1.26 -4.22 118.70 115.08 3hgj s GLU 62 Ca 0.05 -0.83 0.04 0.00 -0.15 0.00 0.00 54.97 54.08 3hgj s GLU 62 Cb 0.12 0.25 0.68 0.00 -0.44 0.00 0.00 34.13 34.74 3hgj s GLU 62 CO 0.72 -0.16 1.76 -1.35 0.95 0.00 0.00 175.26 177.18 3hgj h PRO 63 N 3.45 0.65 -0.00 -4.83 0.11 -1.98 0.38 132.00 129.78 3hgj h PRO 63 Ca -0.33 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3hgj h PRO 63 Cb 1.18 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hgj h PRO 63 CO 0.53 0.43 -0.01 1.28 -0.21 0.00 0.00 178.00 180.03 3hgj n LEU 64 N -4.84 0.24 -0.21 2.35 4.77 -1.26 -2.29 117.00 115.76 3hgj n LEU 64 Ca 0.21 -0.05 0.15 0.00 -0.03 0.00 0.00 56.01 56.29 3hgj n LEU 64 Cb 0.55 -0.03 0.73 0.00 -2.33 0.00 0.00 43.42 42.34 3hgj n LEU 64 CO 0.20 0.04 0.98 0.61 -1.33 0.00 0.00 177.39 177.89 3hgj n GLY 65 N 1.06 -0.58 3.78 -0.72 0.00 0.13 -4.66 105.19 104.19 3hgj n GLY 65 Ca 0.22 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.05 4.36 0.01 1.61 0.52 -0.97 -0.77 118.95 121.65 3hgj s ARG 66 Ca 0.42 1.53 -0.15 0.00 -0.52 0.00 0.00 55.73 57.01 3hgj s ARG 66 Cb 0.21 -2.74 -0.08 0.00 0.52 0.00 0.00 34.95 32.86 3hgj s ARG 66 CO 0.37 0.03 0.97 0.82 0.02 0.00 0.00 175.30 177.51 3hgj h ILE 67 N 2.47 0.00 -1.51 1.52 2.04 -1.91 -2.53 117.51 117.60 3hgj h ILE 67 Ca -0.48 -0.13 -0.61 0.00 1.00 0.00 0.00 64.86 64.65 3hgj h ILE 67 Cb 1.21 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.18 3hgj h ILE 67 CO 0.64 0.00 -0.55 -0.94 0.00 0.00 0.00 178.15 177.29 3hgj s SER 68 N -3.33 4.08 0.00 1.72 1.04 -1.26 -0.86 113.70 115.10 3hgj s SER 68 Ca -0.08 -1.30 0.26 0.00 0.48 0.00 0.00 55.95 55.31 3hgj s SER 68 Cb 0.01 -0.33 1.42 0.00 0.10 0.00 0.00 66.02 67.22 3hgj s SER 68 CO 0.23 -0.53 1.89 -2.65 0.98 0.00 0.00 173.24 173.17 3hgj n PRO 69 N -1.09 0.58 -0.69 4.02 -0.02 -1.26 -2.81 135.00 133.72 3hgj n PRO 69 Ca -0.05 0.03 0.03 0.00 -2.02 0.00 0.00 63.50 61.49 3hgj n PRO 69 Cb 0.66 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.84 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 -1.15 0.28 -2.19 6.00 4.01 -1.26 -4.13 117.16 118.72 3hgj n TYR 70 Ca 0.16 -1.55 -0.32 0.00 -0.16 0.00 0.00 57.90 56.03 3hgj n TYR 70 Cb 0.15 -0.29 -0.02 0.00 -0.31 0.00 0.00 39.34 38.87 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 -3.15 6.40 0.51 7.72 -0.00 -1.12 -0.88 116.67 126.15 3hgj s ASP 71 Ca 0.40 1.55 -0.22 0.00 -0.00 0.00 0.00 52.55 54.27 3hgj s ASP 71 Cb 0.38 -2.50 -0.06 0.00 -0.00 0.00 0.00 42.92 40.74 3hgj s ASP 71 CO -0.06 -0.74 1.30 -0.76 -0.00 0.00 0.00 175.17 174.91 3hgj s LEU 72 N -4.48 3.92 0.21 1.23 1.43 -1.26 -4.17 118.68 115.56 3hgj s LEU 72 Ca 0.58 2.62 0.07 0.00 -1.03 0.00 0.00 54.13 56.37 3hgj s LEU 72 Cb -0.11 -4.25 -0.05 0.00 0.03 0.00 0.00 46.19 41.82 3hgj s LEU 72 CO 0.39 -1.33 -0.12 -0.83 0.23 0.00 0.00 176.35 174.68 3hgj s GLY 73 N -1.07 1.47 -0.03 -3.19 0.00 -0.68 -2.01 107.32 101.81 3hgj s GLY 73 Ca 0.68 -1.69 0.06 0.00 0.00 0.00 0.00 44.72 43.77 3hgj s GLY 73 CO 0.44 -1.76 1.05 4.51 0.00 0.00 0.00 173.10 177.34 3hgj n ILE 74 N -0.40 0.44 1.45 0.90 3.06 -0.54 -4.81 119.36 119.44 3hgj n ILE 74 Ca -0.08 -0.60 0.15 0.00 -2.50 0.00 0.00 62.75 59.72 3hgj n ILE 74 Cb 0.61 0.36 0.71 0.00 0.54 0.00 0.00 39.64 41.86 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 -0.29 0.00 -4.42 9.51 2.14 -1.25 -4.55 117.44 118.58 3hgj n TRP 75 Ca 0.04 0.00 -0.19 0.00 2.07 0.00 0.00 57.50 59.42 3hgj n TRP 75 Cb 0.71 -0.23 -0.15 0.00 -0.81 0.00 0.00 31.31 30.84 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 -2.51 1.21 0.50 -0.67 0.15 -1.26 -4.99 113.70 106.13 3hgj s SER 76 Ca 0.30 -0.21 0.34 0.00 0.70 0.00 0.00 55.95 57.07 3hgj s SER 76 Cb 0.20 -0.13 1.79 0.00 -1.71 0.00 0.00 66.02 66.18 3hgj s SER 76 CO 0.46 0.11 2.03 -0.08 1.20 0.00 0.00 173.24 176.96 3hgj h GLU 77 N 5.79 0.00 0.00 5.44 4.57 -2.01 0.24 114.58 128.62 3hgj h GLU 77 Ca -0.32 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 3hgj h GLU 77 Cb 1.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 3hgj h GLU 77 CO 0.49 0.00 0.00 -0.25 -1.18 0.00 0.00 179.01 178.07 3hgj n ASP 78 N -2.70 0.00 0.16 1.04 8.00 -1.26 -2.36 116.55 119.44 3hgj n ASP 78 Ca -0.02 -0.80 0.06 0.00 0.71 0.00 0.00 54.79 54.73 3hgj n ASP 78 Cb 0.07 -0.06 0.07 0.00 -0.02 0.00 0.00 41.12 41.18 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 -0.51 1.24 3.86 -0.86 -3.40 115.15 115.49 3hgj h HIS 79 Ca 0.00 0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.31 3hgj h HIS 79 Cb 0.06 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.43 3hgj h HIS 79 CO 0.00 0.34 -0.13 1.25 0.86 0.00 0.00 177.93 180.25 3hgj h LEU 80 N 0.00 -0.47 -0.32 2.43 5.85 -1.59 -1.84 115.31 119.37 3hgj h LEU 80 Ca -0.00 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3hgj h LEU 80 Cb 1.26 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.59 3hgj h LEU 80 CO 0.04 -0.17 0.21 -0.65 -0.34 0.00 0.00 178.44 177.53 3hgj h PRO 81 N -0.00 0.41 0.05 5.25 0.11 -1.80 0.20 132.00 136.21 3hgj h PRO 81 Ca 0.24 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.33 3hgj h PRO 81 Cb 0.37 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.39 3hgj h PRO 81 CO -0.52 0.27 -0.02 0.78 -0.21 0.00 0.00 178.00 178.30 3hgj h GLY 82 N 0.42 -0.07 1.08 -0.55 0.00 -1.80 -0.25 103.07 101.90 3hgj h GLY 82 Ca 0.12 0.03 0.03 0.00 0.00 0.00 0.00 47.33 47.50 3hgj h GLY 82 CO -0.04 -0.03 0.57 1.41 0.00 0.00 0.00 176.54 178.45 3hgj h LEU 83 N -0.18 0.94 -0.10 3.11 3.38 -1.18 -1.05 115.31 120.24 3hgj h LEU 83 Ca -0.01 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hgj h LEU 83 Cb 0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3hgj h LEU 83 CO 0.01 0.66 0.05 0.50 0.09 0.00 0.00 178.44 179.75 3hgj h LYS 84 N 1.10 0.13 -0.51 1.13 3.64 -0.37 -1.19 116.57 120.50 3hgj h LYS 84 Ca 0.33 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.67 3hgj h LYS 84 Cb -0.03 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 3hgj h LYS 84 CO -0.09 0.17 0.21 1.49 -2.27 0.00 0.00 179.45 178.97 3hgj h GLU 85 N 0.06 0.72 0.49 1.90 4.57 -0.55 -0.40 114.58 121.37 3hgj h GLU 85 Ca 0.03 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 3hgj h GLU 85 Cb 0.08 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3hgj h GLU 85 CO -0.01 0.59 -0.24 1.25 -1.18 0.00 0.00 179.01 179.42 3hgj h LEU 86 N 0.72 -0.56 -1.38 1.64 5.85 -0.89 -0.51 115.31 120.17 3hgj h LEU 86 Ca 0.18 -0.07 0.20 0.00 0.84 0.00 0.00 57.88 59.03 3hgj h LEU 86 Cb 0.12 0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 3hgj h LEU 86 CO -0.02 -0.22 0.61 0.00 -0.34 0.00 0.00 178.44 178.47 3hgj h ALA 87 N -0.58 2.09 -0.31 1.25 0.00 -1.12 -1.49 119.26 119.09 3hgj h ALA 87 Ca -0.07 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3hgj h ALA 87 Cb 0.60 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hgj h ALA 87 CO 0.11 -0.40 -0.28 -0.09 0.00 0.00 0.00 179.25 178.59 3hgj h ARG 88 N 0.49 0.73 -0.03 0.00 2.43 -0.63 -1.93 114.38 115.44 3hgj h ARG 88 Ca 0.50 -0.38 -0.15 0.00 -0.81 0.00 0.00 59.98 59.15 3hgj h ARG 88 Cb 1.13 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.68 3hgj h ARG 88 CO -0.23 0.99 -0.65 0.00 -1.51 0.00 0.00 179.97 178.57 3hgj h ARG 89 N 0.49 0.11 -0.15 0.20 3.08 -0.51 -0.17 114.38 117.43 3hgj h ARG 89 Ca 0.05 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3hgj h ARG 89 Cb 0.85 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 3hgj h ARG 89 CO 0.07 0.72 0.07 0.82 -1.07 0.00 0.00 179.97 180.59 3hgj h ILE 90 N 0.08 1.12 -0.57 2.04 2.04 -1.23 -2.46 117.51 118.53 3hgj h ILE 90 Ca -0.01 -0.33 -0.08 0.00 1.00 0.00 0.00 64.86 65.45 3hgj h ILE 90 Cb 1.16 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 3hgj h ILE 90 CO 0.09 0.11 0.06 -0.09 0.00 0.00 0.00 178.15 178.32 3hgj h ARG 91 N 0.12 0.96 -0.36 2.37 2.43 -1.16 -1.83 114.38 116.90 3hgj h ARG 91 Ca 0.05 -0.28 0.09 0.00 -0.81 0.00 0.00 59.98 59.04 3hgj h ARG 91 Cb 0.10 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3hgj h ARG 91 CO -0.01 0.94 0.26 1.49 -1.51 0.00 0.00 179.97 181.14 3hgj h GLU 92 N 0.85 0.07 -0.59 0.20 4.81 -0.96 -1.29 114.58 117.68 3hgj h GLU 92 Ca 0.17 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3hgj h GLU 92 Cb 0.46 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3hgj h GLU 92 CO 0.02 0.05 0.00 0.00 -0.73 0.00 0.00 179.01 178.34 3hgj n ALA 93 N -2.59 2.41 0.00 2.92 0.00 -0.72 -4.92 120.51 117.61 3hgj n ALA 93 Ca 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.43 3hgj n ALA 93 Cb 0.39 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.89 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 1.48 1.79 3.81 0.00 0.00 -0.48 -2.86 105.19 108.92 3hgj n GLY 94 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.03 3.63 0.01 4.61 0.00 -1.01 -4.91 121.76 122.05 3hgj s ALA 95 Ca 0.00 -1.15 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 3hgj s ALA 95 Cb 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.64 3hgj s ALA 95 CO 0.00 0.56 1.11 0.08 0.00 0.00 0.00 175.76 177.51 3hgj s VAL 96 N -1.68 4.41 -0.27 0.00 1.01 -0.18 -3.34 120.40 120.36 3hgj s VAL 96 Ca 0.31 1.72 -0.24 0.00 0.00 0.00 0.00 61.98 63.78 3hgj s VAL 96 Cb -0.11 -4.11 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 3hgj s VAL 96 CO 0.24 0.10 0.79 -2.16 0.00 0.00 0.00 175.10 174.06 3hgj s PRO 97 N 1.34 4.08 0.45 2.72 0.04 -1.26 -1.30 135.00 141.07 3hgj s PRO 97 Ca 0.55 0.74 0.06 0.00 0.04 0.00 0.00 61.00 62.39 3hgj s PRO 97 Cb -0.25 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 3hgj s PRO 97 CO 0.27 -0.58 0.14 0.20 0.04 0.00 0.00 177.00 177.07 3hgj s GLY 98 N 1.48 2.52 -0.10 0.56 0.00 0.20 -1.17 107.32 110.82 3hgj s GLY 98 Ca 0.33 -1.66 -0.13 0.00 0.00 0.00 0.00 44.72 43.27 3hgj s GLY 98 CO 0.10 -2.01 0.33 -1.50 0.00 0.00 0.00 173.10 170.01 3hgj s ILE 99 N -2.71 0.02 -0.19 0.90 2.07 -0.67 -0.57 121.20 120.05 3hgj s ILE 99 Ca 0.31 -0.13 -0.17 0.00 -1.41 0.00 0.00 60.65 59.26 3hgj s ILE 99 Cb 0.04 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 42.08 3hgj s ILE 99 CO 0.17 -0.07 0.43 -1.58 -1.91 0.00 0.00 174.94 171.99 3hgj s GLN 100 N -0.23 4.19 -0.11 3.50 0.74 -0.71 -0.94 119.66 126.11 3hgj s GLN 100 Ca -0.04 0.27 -0.15 0.00 0.05 0.00 0.00 55.36 55.49 3hgj s GLN 100 Cb -0.03 -3.53 -0.05 0.00 1.10 0.00 0.00 33.01 30.50 3hgj s GLN 100 CO 0.01 -0.05 0.38 -0.51 -0.55 0.00 0.00 175.29 174.58 3hgj s LEU 101 N 1.33 4.31 0.07 3.68 1.43 0.19 -1.11 118.68 128.58 3hgj s LEU 101 Ca 0.21 0.73 0.03 0.00 -1.03 0.00 0.00 54.13 54.06 3hgj s LEU 101 Cb -0.15 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 3hgj s LEU 101 CO 0.08 0.12 -0.08 0.00 0.23 0.00 0.00 176.35 176.70 3hgj s ALA 102 N 0.13 0.83 -0.07 4.21 0.00 0.27 -1.21 121.76 125.92 3hgj s ALA 102 Ca 0.22 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 3hgj s ALA 102 Cb -0.15 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.08 3hgj s ALA 102 CO 0.08 -0.07 0.13 -1.58 0.00 0.00 0.00 175.76 174.32 3hgj s HIS 103 N -2.17 -0.09 -2.00 0.00 2.46 -1.26 -1.59 115.29 110.63 3hgj s HIS 103 Ca -0.01 0.46 0.22 0.00 0.47 0.00 0.00 55.06 56.21 3hgj s HIS 103 Cb -0.05 -0.35 1.33 0.00 -0.13 0.00 0.00 32.58 33.39 3hgj s HIS 103 CO -0.01 -0.26 1.83 0.00 -2.47 0.00 0.00 174.74 173.84 3hgj n ALA 104 N 5.32 2.59 0.00 1.58 0.00 0.05 -0.51 120.51 129.53 3hgj n ALA 104 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3hgj n ALA 104 Cb 0.50 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 0.79 1.91 0.03 0.00 0.00 -1.26 -1.73 105.19 104.93 3hgj n GLY 105 Ca 0.17 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.16 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 13.36 0.05 -0.28 1.61 1.85 -1.03 -1.24 116.66 130.98 3hgj n ARG 106 Ca 0.00 0.33 0.11 0.00 -1.00 0.00 0.00 57.85 57.28 3hgj n ARG 106 Cb 0.00 -1.60 0.27 0.00 -1.05 0.00 0.00 32.46 30.09 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 -1.69 2.44 -1.83 2.89 5.02 -0.71 -4.65 118.16 119.63 3hgj n LYS 107 Ca 0.03 -2.22 -0.37 0.00 -2.02 0.00 0.00 58.31 53.72 3hgj n LYS 107 Cb 0.16 -1.49 0.05 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.26 2.56 -0.34 7.82 0.00 -0.37 -4.51 121.76 125.66 3hgj s ALA 108 Ca 0.41 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.56 3hgj s ALA 108 Cb 0.22 -3.53 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 3hgj s ALA 108 CO 0.29 -1.41 0.31 0.41 0.00 0.00 0.00 175.76 175.37 3hgj n GLY 109 N 0.75 -0.34 3.24 0.00 0.00 -0.24 -4.79 105.19 103.82 3hgj n GLY 109 Ca 0.14 0.06 -0.22 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.06 1.48 0.84 2.61 -4.23 -0.04 0.67 115.64 113.92 3hgj s THR 110 Ca 0.08 -1.48 -0.13 0.00 -1.18 0.00 0.00 61.69 58.98 3hgj s THR 110 Cb -0.01 -1.39 0.07 0.00 1.34 0.00 0.00 72.50 72.51 3hgj s THR 110 CO 0.29 -0.15 0.93 0.00 -0.54 0.00 0.00 174.62 175.15 3hgj n ALA 111 N 1.10 -0.92 -1.57 3.99 0.00 0.38 -4.03 120.51 119.47 3hgj n ALA 111 Ca -0.20 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.40 3hgj n ALA 111 Cb 0.54 -2.09 -0.01 0.00 0.00 0.00 0.00 19.45 17.90 3hgj n ALA 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hgj n ARG 112 N -2.73 1.18 -0.33 0.00 1.74 -1.26 -3.69 116.66 111.57 3hgj n ARG 112 Ca 0.11 0.42 0.24 0.00 -0.77 0.00 0.00 57.85 57.85 3hgj n ARG 112 Cb 0.51 -1.81 0.52 0.00 -1.02 0.00 0.00 32.46 30.66 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 1.65 0.35 -0.02 5.56 0.11 -1.92 0.46 132.00 138.20 3hgj h PRO 113 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hgj h PRO 113 Cb 1.35 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3hgj h PRO 113 CO 0.58 0.23 -0.04 -2.67 -0.21 0.00 0.00 178.00 175.89 3hgj n TRP 114 N -4.62 0.00 -1.43 0.65 2.14 -1.26 -3.31 117.44 109.60 3hgj n TRP 114 Ca 0.26 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.61 3hgj n TRP 114 Cb 0.93 -0.01 0.13 0.00 -0.81 0.00 0.00 31.31 31.55 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 0.43 2.47 0.00 -2.67 1.02 0.16 -4.92 120.64 117.13 3hgj n GLU 115 Ca 0.17 -3.31 0.00 0.00 -0.02 0.00 0.00 57.16 54.00 3hgj n GLU 115 Cb 0.43 -2.14 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 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 -1.01 2.32 2.35 0.62 0.00 -1.21 -4.54 105.19 103.73 3hgj n GLY 116 Ca 0.52 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 46.32 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 0.65 3.78 -0.02 0.00 -0.82 -4.91 105.19 103.87 3hgj n GLY 117 Ca 0.00 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.97 3.66 0.49 1.61 -0.14 -1.26 -4.10 119.74 116.03 3hgj s LYS 118 Ca 0.00 1.61 -0.22 0.00 -1.36 0.00 0.00 55.97 56.00 3hgj s LYS 118 Cb 0.00 -2.22 -0.08 0.00 -1.68 0.00 0.00 37.83 33.85 3hgj s LYS 118 CO 0.00 -0.60 1.01 -2.30 -0.76 0.00 0.00 175.35 172.70 3hgj n PRO 119 N -0.83 1.24 -0.11 -1.68 -0.02 -1.26 -0.47 135.00 131.87 3hgj n PRO 119 Ca 0.09 0.45 0.09 0.00 -2.02 0.00 0.00 63.50 62.12 3hgj n PRO 119 Cb 0.50 -2.12 0.15 0.00 -0.02 0.00 0.00 33.50 32.01 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 2.95 -3.54 2.45 4.77 0.21 -4.82 117.00 119.06 3hgj n LEU 120 Ca 0.10 -1.37 -0.21 0.00 -0.03 0.00 0.00 56.01 54.50 3hgj n LEU 120 Cb 0.42 -0.15 0.08 0.00 -2.33 0.00 0.00 43.42 41.45 3hgj n LEU 120 CO 0.54 0.61 0.16 0.61 -1.33 0.00 0.00 177.39 177.99 3hgj n GLY 121 N 1.13 -0.45 3.75 -0.72 0.00 -1.26 -5.02 105.19 102.62 3hgj n GLY 121 Ca 0.14 0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.36 2.24 -1.12 1.61 0.51 -1.26 -4.94 118.94 112.62 3hgj s TRP 122 Ca 0.29 0.83 -0.17 0.00 -2.12 0.00 0.00 56.10 54.93 3hgj s TRP 122 Cb -0.13 -3.40 0.12 0.00 -0.81 0.00 0.00 33.47 29.25 3hgj s TRP 122 CO 0.74 -2.62 1.42 0.50 -0.51 0.00 0.00 176.95 176.48 3hgj s ARG 123 N -5.24 3.86 0.32 4.98 3.52 -1.26 -4.88 118.95 120.25 3hgj s ARG 123 Ca 0.65 -2.01 -0.08 0.00 -0.13 0.00 0.00 55.73 54.16 3hgj s ARG 123 Cb -0.15 -5.17 -0.06 0.00 -1.56 0.00 0.00 34.95 28.01 3hgj s ARG 123 CO 0.54 -1.94 0.64 0.14 -0.81 0.00 0.00 175.30 173.87 3hgj s VAL 124 N 2.98 4.91 0.26 7.11 -7.23 -1.26 -4.89 120.40 122.28 3hgj s VAL 124 Ca 0.43 0.36 0.11 0.00 -1.81 0.00 0.00 61.98 61.07 3hgj s VAL 124 Cb -0.01 -3.71 -0.05 0.00 0.56 0.00 0.00 36.38 33.17 3hgj s VAL 124 CO -0.02 -0.34 -0.12 0.68 -0.31 0.00 0.00 175.10 174.99 3hgj s VAL 125 N -2.13 2.89 0.11 1.32 -7.23 -1.26 0.13 120.40 114.23 3hgj s VAL 125 Ca 0.47 -2.15 -0.25 0.00 -1.81 0.00 0.00 61.98 58.25 3hgj s VAL 125 Cb -0.11 -2.52 0.08 0.00 0.56 0.00 0.00 36.38 34.40 3hgj s VAL 125 CO 0.28 -0.35 1.13 -0.83 -0.31 0.00 0.00 175.10 175.02 3hgj s GLY 126 N -3.48 0.02 0.11 2.32 0.00 -0.22 -2.46 107.32 103.60 3hgj s GLY 126 Ca 0.30 -0.18 -0.16 0.00 0.00 0.00 0.00 44.72 44.67 3hgj s GLY 126 CO 0.17 3.53 1.55 -0.56 0.00 0.00 0.00 173.10 177.78 3hgj h PRO 127 N 2.00 0.58 -5.01 2.90 0.13 -1.85 -1.21 132.00 129.54 3hgj h PRO 127 Ca -0.26 -0.18 -0.35 0.00 -0.87 0.00 0.00 66.00 64.35 3hgj h PRO 127 Cb 1.21 -0.05 -0.20 0.00 0.13 0.00 0.00 31.00 32.08 3hgj h PRO 127 CO 0.34 0.71 -0.75 -1.12 -0.23 0.00 0.00 178.00 176.94 3hgj s SER 128 N -6.08 1.38 -1.43 1.44 0.01 -1.26 -4.41 113.70 103.35 3hgj s SER 128 Ca -0.13 -0.66 -0.12 0.00 1.31 0.00 0.00 55.95 56.35 3hgj s SER 128 Cb 0.09 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 66.27 3hgj s SER 128 CO 0.77 -0.17 2.51 -0.81 0.41 0.00 0.00 173.24 175.95 3hgj n PRO 129 N 1.10 3.04 -3.94 12.44 -0.04 -1.26 -4.58 135.00 141.76 3hgj n PRO 129 Ca -0.20 -2.26 -0.29 0.00 -0.04 0.00 0.00 63.50 60.71 3hgj n PRO 129 Cb 0.55 -2.97 -0.16 0.00 -0.04 0.00 0.00 33.50 30.88 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 2.92 1.27 0.61 0.52 1.01 -1.26 -4.82 121.20 121.45 3hgj s ILE 130 Ca 0.57 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 60.45 3hgj s ILE 130 Cb 0.15 -1.33 -0.02 0.00 0.01 0.00 0.00 42.46 41.27 3hgj s ILE 130 CO -0.06 0.28 1.19 -2.16 0.00 0.00 0.00 174.94 174.20 3hgj s PRO 131 N 1.58 2.87 0.17 2.79 0.04 -1.26 -4.51 135.00 136.68 3hgj s PRO 131 Ca 0.03 1.77 -0.14 0.00 0.04 0.00 0.00 61.00 62.69 3hgj s PRO 131 Cb -0.14 -1.92 0.05 0.00 0.04 0.00 0.00 34.50 32.53 3hgj s PRO 131 CO -0.09 -1.27 1.82 0.35 0.04 0.00 0.00 177.00 177.85 3hgj h PHE 132 N 0.68 0.65 -3.00 0.56 3.57 -1.82 -3.47 116.94 114.11 3hgj h PHE 132 Ca -0.50 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 60.99 3hgj h PHE 132 Cb 1.29 -0.22 0.01 0.00 2.79 0.00 0.00 35.95 39.82 3hgj h PHE 132 CO 0.48 0.43 0.28 0.34 -2.23 0.00 0.00 178.31 177.60 3hgj s ASP 133 N -5.69 0.02 -0.12 0.41 -1.08 -1.26 -4.68 116.67 104.26 3hgj s ASP 133 Ca -0.13 -1.17 -0.39 0.00 -0.52 0.00 0.00 52.55 50.34 3hgj s ASP 133 Cb 0.12 0.86 -0.16 0.00 -1.46 0.00 0.00 42.92 42.28 3hgj s ASP 133 CO 0.74 -1.71 1.58 1.21 0.52 0.00 0.00 175.17 177.52 3hgj n GLU 134 N -0.54 1.19 -0.71 4.34 4.07 -1.26 -1.50 120.64 126.23 3hgj n GLU 134 Ca -0.09 0.43 0.00 0.00 -0.06 0.00 0.00 57.16 57.45 3hgj n GLU 134 Cb 0.60 -2.11 0.00 0.00 -0.06 0.00 0.00 31.44 29.87 3hgj n GLU 134 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3hgj n GLY 135 N 3.52 0.69 3.91 8.31 0.00 -1.26 -5.07 105.19 115.29 3hgj n GLY 135 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.29 3.47 0.83 1.61 2.02 -0.56 -4.73 117.35 117.70 3hgj s TYR 136 Ca 0.00 0.53 -0.11 0.00 -0.37 0.00 0.00 57.07 57.12 3hgj s TYR 136 Cb 0.00 -2.00 0.09 0.00 -0.40 0.00 0.00 41.96 39.65 3hgj s TYR 136 CO 0.00 0.33 1.09 -1.25 -1.57 0.00 0.00 175.55 174.16 3hgj s PRO 137 N -3.13 1.77 -0.26 -1.71 0.04 -1.26 -4.79 135.00 125.66 3hgj s PRO 137 Ca 0.41 1.04 -0.22 0.00 0.04 0.00 0.00 61.00 62.28 3hgj s PRO 137 Cb -0.11 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 3hgj s PRO 137 CO 0.27 -1.95 0.71 0.08 0.04 0.00 0.00 177.00 176.16 3hgj s VAL 138 N -2.90 4.92 0.51 -0.36 1.01 -1.26 -4.47 120.40 117.84 3hgj s VAL 138 Ca 0.62 1.28 -0.23 0.00 0.00 0.00 0.00 61.98 63.66 3hgj s VAL 138 Cb -0.18 -4.02 -0.06 0.00 0.00 0.00 0.00 36.38 32.13 3hgj s VAL 138 CO 0.57 -0.04 1.34 -2.16 0.00 0.00 0.00 175.10 174.81 3hgj s PRO 139 N 2.66 3.35 -0.03 2.72 0.04 -1.26 -4.75 135.00 137.74 3hgj s PRO 139 Ca 0.30 2.19 -0.30 0.00 0.04 0.00 0.00 61.00 63.22 3hgj s PRO 139 Cb -0.15 -2.36 -0.03 0.00 0.04 0.00 0.00 34.50 32.00 3hgj s PRO 139 CO 0.08 -1.01 1.02 -2.00 0.04 0.00 0.00 177.00 175.13 3hgj s GLU 140 N -2.78 4.50 -0.08 4.56 2.12 0.35 -4.27 118.70 123.10 3hgj s GLU 140 Ca 0.68 1.46 -0.30 0.00 0.36 0.00 0.00 54.97 57.17 3hgj s GLU 140 Cb -0.39 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.50 3hgj s GLU 140 CO 0.47 -0.16 1.11 -1.25 -0.54 0.00 0.00 175.26 174.89 3hgj s PRO 141 N 1.34 4.38 0.36 4.30 0.04 -1.26 -1.06 135.00 143.10 3hgj s PRO 141 Ca 0.52 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 62.81 3hgj s PRO 141 Cb -0.21 -3.55 -0.11 0.00 0.04 0.00 0.00 34.50 30.67 3hgj s PRO 141 CO 0.25 -0.39 1.46 -0.51 0.04 0.00 0.00 177.00 177.85 3hgj s LEU 142 N 2.14 4.34 0.00 -3.56 1.43 -0.46 -4.91 118.68 117.67 3hgj s LEU 142 Ca 0.52 2.98 0.03 0.00 -1.03 0.00 0.00 54.13 56.63 3hgj s LEU 142 Cb -0.21 -3.66 0.08 0.00 0.03 0.00 0.00 46.19 42.42 3hgj s LEU 142 CO 0.20 -0.82 0.58 -0.90 0.23 0.00 0.00 176.35 175.64 3hgj n ASP 143 N 0.61 1.08 0.17 2.29 5.68 -1.26 -4.94 116.55 120.18 3hgj n ASP 143 Ca 0.01 -1.84 0.03 0.00 -0.50 0.00 0.00 54.79 52.49 3hgj n ASP 143 Cb 0.40 -0.35 0.40 0.00 -1.14 0.00 0.00 41.12 40.43 3hgj n ASP 143 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3hgj h GLU 144 N 0.00 0.10 -0.42 0.11 5.08 -2.00 -2.25 114.58 115.21 3hgj h GLU 144 Ca -0.19 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.02 3hgj h GLU 144 Cb 0.79 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3hgj h GLU 144 CO 0.24 0.34 -0.22 0.00 -1.00 0.00 0.00 179.01 178.36 3hgj h ALA 145 N 1.67 0.59 -0.06 3.43 0.00 -2.00 -2.44 119.26 120.45 3hgj h ALA 145 Ca 0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 3hgj h ALA 145 Cb 0.47 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3hgj h ALA 145 CO 0.03 0.56 -0.25 0.78 0.00 0.00 0.00 179.25 180.38 3hgj h GLY 146 N 0.70 0.11 1.38 0.00 0.00 -1.81 -2.31 103.07 101.14 3hgj h GLY 146 Ca 0.09 -0.08 -0.18 0.00 0.00 0.00 0.00 47.33 47.16 3hgj h GLY 146 CO 0.06 0.07 -0.63 -0.33 0.00 0.00 0.00 176.54 175.71 3hgj h MET 147 N 0.09 0.64 -0.33 4.80 2.07 -1.26 -2.07 114.93 118.88 3hgj h MET 147 Ca 0.01 -0.45 -0.09 0.00 -2.07 0.00 0.00 59.70 57.11 3hgj h MET 147 Cb 0.50 0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.28 3hgj h MET 147 CO 0.04 1.07 -0.16 1.49 1.07 0.00 0.00 176.91 180.41 3hgj h GLU 148 N 0.47 0.59 -0.18 1.72 4.57 -1.28 0.19 114.58 120.65 3hgj h GLU 148 Ca -0.01 -0.20 -0.13 0.00 -1.18 0.00 0.00 59.36 57.84 3hgj h GLU 148 Cb 1.21 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 3hgj h GLU 148 CO 0.12 0.73 -0.40 -0.09 -1.18 0.00 0.00 179.01 178.19 3hgj h ARG 149 N 0.53 0.59 -0.54 1.92 2.43 -1.28 -0.30 114.38 117.74 3hgj h ARG 149 Ca 0.09 -0.40 -0.07 0.00 -0.81 0.00 0.00 59.98 58.79 3hgj h ARG 149 Cb 0.59 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 3hgj h ARG 149 CO 0.04 1.01 0.06 0.82 -1.51 0.00 0.00 179.97 180.39 3hgj h ILE 150 N 0.25 1.26 -0.98 1.20 2.04 -1.22 -0.93 117.51 119.14 3hgj h ILE 150 Ca 0.00 -1.01 0.02 0.00 1.00 0.00 0.00 64.86 64.88 3hgj h ILE 150 Cb 1.01 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.90 3hgj h ILE 150 CO 0.09 0.36 0.65 0.25 0.00 0.00 0.00 178.15 179.50 3hgj h LEU 151 N 0.79 1.10 -0.96 1.44 6.46 -0.55 -1.13 115.31 122.45 3hgj h LEU 151 Ca 0.16 -0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.79 3hgj h LEU 151 Cb 0.45 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 3hgj h LEU 151 CO 0.02 0.77 -0.52 1.56 -0.62 0.00 0.00 178.44 179.65 3hgj h GLN 152 N 1.28 0.01 -0.24 1.25 1.08 -0.75 -2.36 115.11 115.39 3hgj h GLN 152 Ca 0.38 -0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.48 3hgj h GLN 152 Cb -0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 3hgj h GLN 152 CO -0.10 0.53 -0.23 0.00 -0.95 0.00 0.00 178.83 178.08 3hgj h ALA 153 N 1.47 1.17 -0.12 3.87 0.00 0.02 -1.25 119.26 124.43 3hgj h ALA 153 Ca -0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3hgj h ALA 153 Cb 0.92 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3hgj h ALA 153 CO 0.07 0.53 0.01 0.74 0.00 0.00 0.00 179.25 180.60 3hgj h PHE 154 N 0.39 0.22 -0.34 0.00 0.04 -1.09 0.66 116.94 116.83 3hgj h PHE 154 Ca 0.06 -0.04 0.07 0.00 2.80 0.00 0.00 57.97 60.86 3hgj h PHE 154 Cb 0.62 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.65 3hgj h PHE 154 CO 0.02 0.42 -0.07 0.28 -0.60 0.00 0.00 178.31 178.37 3hgj h VAL 155 N -0.04 0.67 -0.10 -0.55 2.07 -1.30 0.41 116.25 117.40 3hgj h VAL 155 Ca 0.04 -0.01 -0.17 0.00 0.82 0.00 0.00 66.70 67.38 3hgj h VAL 155 Cb 0.33 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3hgj h VAL 155 CO 0.00 0.00 -0.66 -0.33 0.02 0.00 0.00 177.57 176.61 3hgj h GLU 156 N 0.02 0.41 -0.76 1.57 4.39 -1.26 -1.05 114.58 117.90 3hgj h GLU 156 Ca 0.17 -0.30 0.07 0.00 0.34 0.00 0.00 59.36 59.64 3hgj h GLU 156 Cb 0.25 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.89 3hgj h GLU 156 CO -0.34 0.92 0.44 0.78 -1.16 0.00 0.00 179.01 179.65 3hgj h GLY 157 N 1.26 1.15 0.92 -3.84 0.00 -0.63 0.19 103.07 102.13 3hgj h GLY 157 Ca -0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 3hgj h GLY 157 CO 0.11 0.17 0.03 0.00 0.00 0.00 0.00 176.54 176.85 3hgj h ALA 158 N 1.40 0.50 -0.43 3.60 0.00 0.16 0.15 119.26 124.63 3hgj h ALA 158 Ca 0.35 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hgj h ALA 158 Cb 0.25 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hgj h ALA 158 CO -0.21 0.23 0.29 0.00 0.00 0.00 0.00 179.25 179.56 3hgj h ARG 159 N 0.46 0.57 -0.82 0.00 3.08 -0.86 -1.65 114.38 115.15 3hgj h ARG 159 Ca 0.11 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3hgj h ARG 159 Cb 0.41 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 3hgj h ARG 159 CO 0.01 0.38 0.55 -0.09 -1.07 0.00 0.00 179.97 179.74 3hgj h ARG 160 N 0.58 1.09 -0.47 0.04 2.43 -0.49 -1.63 114.38 115.93 3hgj h ARG 160 Ca 0.16 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3hgj h ARG 160 Cb -0.07 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.22 3hgj h ARG 160 CO -0.03 0.72 0.23 0.00 -1.51 0.00 0.00 179.97 179.38 3hgj h ALA 161 N 1.30 0.61 -0.28 2.80 0.00 -0.45 -1.06 119.26 122.18 3hgj h ALA 161 Ca 0.30 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hgj h ALA 161 Cb -0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3hgj h ALA 161 CO -0.07 0.16 0.15 -0.07 0.00 0.00 0.00 179.25 179.43 3hgj h LEU 162 N 0.62 0.24 -2.32 0.00 3.38 -1.18 -1.61 115.31 114.45 3hgj h LEU 162 Ca 0.16 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 3hgj h LEU 162 Cb 0.10 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hgj h LEU 162 CO -0.02 0.18 -0.01 0.03 0.09 0.00 0.00 178.44 178.71 3hgj h ARG 163 N 0.32 0.00 0.00 1.13 3.08 -1.07 0.15 114.38 117.99 3hgj h ARG 163 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hgj h ARG 163 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3hgj h ARG 163 CO -0.06 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 178.85 3hgj n ALA 164 N -2.37 2.39 -0.39 0.04 0.00 -0.42 -4.91 120.51 114.86 3hgj n ALA 164 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3hgj n ALA 164 Cb 0.10 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 1.36 0.81 3.77 0.00 0.00 0.52 -4.24 105.19 107.41 3hgj n GLY 165 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.01 3.25 -0.21 1.61 0.08 -0.66 -4.84 117.98 115.20 3hgj s PHE 166 Ca 0.00 1.62 0.06 0.00 0.12 0.00 0.00 56.93 58.73 3hgj s PHE 166 Cb 0.00 -3.25 -0.08 0.00 -0.57 0.00 0.00 43.02 39.12 3hgj s PHE 166 CO 0.00 -0.87 0.23 1.04 -0.10 0.00 0.00 175.22 175.52 3hgj n GLN 167 N 0.19 3.46 -4.34 0.44 6.02 -0.32 -4.26 117.38 118.58 3hgj n GLN 167 Ca 0.04 -0.02 -0.23 0.00 -0.01 0.00 0.00 57.00 56.77 3hgj n GLN 167 Cb 0.48 -0.91 -0.17 0.00 1.02 0.00 0.00 30.24 30.66 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 -1.86 0.92 -0.18 5.09 1.01 -1.23 -3.66 120.40 120.49 3hgj s VAL 168 Ca 0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.61 3hgj s VAL 168 Cb 0.05 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.52 3hgj s VAL 168 CO 0.26 0.31 -0.00 -0.63 0.00 0.00 0.00 175.10 175.04 3hgj s ILE 169 N 0.91 4.06 -0.13 2.22 -1.09 -0.93 -1.67 121.20 124.57 3hgj s ILE 169 Ca -0.10 -0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 58.02 3hgj s ILE 169 Cb -0.15 -2.82 -0.02 0.00 -1.58 0.00 0.00 42.46 37.90 3hgj s ILE 169 CO 0.01 0.45 -0.10 -0.70 -1.23 0.00 0.00 174.94 173.38 3hgj s GLU 170 N 0.69 3.43 -0.21 2.79 2.12 -0.11 -0.37 118.70 127.03 3hgj s GLU 170 Ca -0.00 -0.62 -0.20 0.00 0.36 0.00 0.00 54.97 54.50 3hgj s GLU 170 Cb -0.14 -2.72 -0.03 0.00 0.26 0.00 0.00 34.13 31.51 3hgj s GLU 170 CO 0.02 0.26 0.61 -0.51 -0.54 0.00 0.00 175.26 175.10 3hgj s LEU 171 N 0.27 4.13 -0.83 2.70 1.43 -0.72 0.54 118.68 126.20 3hgj s LEU 171 Ca -0.07 0.78 -0.26 0.00 -1.03 0.00 0.00 54.13 53.55 3hgj s LEU 171 Cb -0.15 -2.85 0.03 0.00 0.03 0.00 0.00 46.19 43.25 3hgj s LEU 171 CO 0.04 -0.28 1.39 -2.28 0.23 0.00 0.00 176.35 175.46 3hgj s HIS 172 N 1.99 2.30 -0.38 0.29 5.65 -0.35 -1.65 115.29 123.14 3hgj s HIS 172 Ca 0.27 -0.23 0.06 0.00 0.25 0.00 0.00 55.06 55.41 3hgj s HIS 172 Cb -0.16 -4.60 0.48 0.00 -1.18 0.00 0.00 32.58 27.12 3hgj s HIS 172 CO 0.10 -2.04 1.49 -1.33 -0.65 0.00 0.00 174.74 172.31 3hgj n MET 173 N 9.19 2.74 -4.57 2.88 2.81 -0.07 -4.61 117.12 125.49 3hgj n MET 173 Ca 0.15 -3.61 -0.27 0.00 -1.81 0.00 0.00 57.70 52.16 3hgj n MET 173 Cb 0.50 -2.11 -0.09 0.00 -0.71 0.00 0.00 33.22 30.80 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 -3.53 3.08 -1.46 3.04 0.00 -1.06 -3.44 121.76 118.39 3hgj s ALA 174 Ca 0.52 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.97 3hgj s ALA 174 Cb 0.43 0.44 0.00 0.00 0.00 0.00 0.00 23.12 23.99 3hgj s ALA 174 CO 0.01 -0.21 0.00 0.72 0.00 0.00 0.00 175.76 176.28 3hgj n HIS 175 N -0.94 -0.40 -0.95 0.00 8.25 -1.20 -3.00 115.22 116.98 3hgj n HIS 175 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 3hgj n HIS 175 Cb 0.66 -2.97 0.00 0.00 1.12 0.00 0.00 29.99 28.80 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 0.37 0.00 -1.41 0.00 -1.24 -4.22 105.19 97.65 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 -2.46 -2.65 0.43 1.61 4.01 -1.16 -4.41 117.16 112.53 3hgj n TYR 177 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 3hgj n TYR 177 Cb 0.15 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.08 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 -1.24 -0.75 7.72 5.85 -0.94 0.50 115.31 126.45 3hgj h LEU 178 Ca 0.00 0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 3hgj h LEU 178 Cb 0.00 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 3hgj h LEU 178 CO 0.00 -0.75 -0.51 -0.07 -0.34 0.00 0.00 178.44 176.77 3hgj h LEU 179 N -1.20 0.32 -0.39 2.25 3.38 -1.81 -2.09 115.31 115.77 3hgj h LEU 179 Ca -0.11 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 57.77 3hgj h LEU 179 Cb 0.96 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.56 3hgj h LEU 179 CO 0.10 0.78 -0.00 -1.28 0.09 0.00 0.00 178.44 178.13 3hgj h SER 180 N 0.23 -0.17 0.61 -0.43 0.87 -1.56 -2.77 113.55 110.33 3hgj h SER 180 Ca 0.01 0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.65 3hgj h SER 180 Cb 0.98 0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 63.10 3hgj h SER 180 CO 0.08 -0.05 -0.06 0.77 -0.53 0.00 0.00 176.83 177.04 3hgj h SER 181 N 0.10 0.00 0.32 6.23 4.64 -0.21 -1.19 113.55 123.45 3hgj h SER 181 Ca 0.19 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.35 3hgj h SER 181 Cb 0.27 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.35 3hgj h SER 181 CO -0.32 0.06 -0.66 -0.26 -0.87 0.00 0.00 176.83 174.78 3hgj h PHE 182 N 0.00 0.41 -0.12 4.77 0.04 -1.20 -3.16 116.94 117.68 3hgj h PHE 182 Ca -0.00 -0.17 -0.09 0.00 2.80 0.00 0.00 57.97 60.52 3hgj h PHE 182 Cb 0.39 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.47 3hgj h PHE 182 CO 0.00 0.88 -0.26 -0.07 -0.60 0.00 0.00 178.31 178.26 3hgj h LEU 183 N 0.22 0.44 -9.53 1.54 3.38 -1.10 -3.43 115.31 106.83 3hgj h LEU 183 Ca -0.02 -0.57 -0.53 0.00 0.09 0.00 0.00 57.88 56.86 3hgj h LEU 183 Cb 1.20 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3hgj h LEU 183 CO 0.11 0.92 0.49 -0.55 0.09 0.00 0.00 178.44 179.50 3hgj s SER 184 N -6.32 7.20 0.00 -0.43 0.15 -0.96 -4.88 113.70 108.46 3hgj s SER 184 Ca -0.14 1.97 0.20 0.00 0.70 0.00 0.00 55.95 58.69 3hgj s SER 184 Cb 0.05 -2.59 0.92 0.00 -1.71 0.00 0.00 66.02 62.69 3hgj s SER 184 CO 0.77 -0.34 1.65 -0.81 1.20 0.00 0.00 173.24 175.72 3hgj n PRO 185 N 3.36 0.08 -0.10 5.44 -0.04 -1.26 -1.13 135.00 141.35 3hgj n PRO 185 Ca 0.06 0.13 -0.11 0.00 -0.04 0.00 0.00 63.50 63.55 3hgj n PRO 185 Cb 0.47 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.89 0.00 1.53 3.38 -1.91 -3.34 115.31 115.86 3hgj h LEU 186 Ca 0.00 -0.38 -0.18 0.00 0.09 0.00 0.00 57.88 57.42 3hgj h LEU 186 Cb 0.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3hgj h LEU 186 CO 0.00 1.13 -2.10 -1.54 0.09 0.00 0.00 178.44 176.02 3hgj n SER 187 N -4.07 0.09 -4.24 -0.43 3.41 -1.14 -4.87 113.62 102.38 3hgj n SER 187 Ca -0.01 0.04 -0.38 0.00 -0.26 0.00 0.00 58.87 58.26 3hgj n SER 187 Cb 0.50 1.37 -0.11 0.00 -0.26 0.00 0.00 64.21 65.70 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 -5.08 5.40 -0.20 4.04 3.84 -0.28 -4.13 114.94 118.53 3hgj s ASN 188 Ca -0.08 -1.43 0.12 0.00 0.21 0.00 0.00 52.86 51.67 3hgj s ASN 188 Cb 0.10 -1.90 0.41 0.00 -0.55 0.00 0.00 41.25 39.31 3hgj s ASN 188 CO 0.86 -0.44 1.22 0.00 -2.79 0.00 0.00 177.10 175.95 3hgj n GLN 189 N 4.80 1.57 -1.87 0.43 1.13 -1.26 -4.38 117.38 117.80 3hgj n GLN 189 Ca -0.10 -3.26 -0.35 0.00 -1.94 0.00 0.00 57.00 51.36 3hgj n GLN 189 Cb 0.43 -1.61 0.04 0.00 0.11 0.00 0.00 30.24 29.21 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 -3.21 2.83 0.00 -1.09 0.52 -1.26 -4.89 118.95 111.84 3hgj s ARG 190 Ca 0.38 1.63 0.07 0.00 -0.52 0.00 0.00 55.73 57.29 3hgj s ARG 190 Cb 0.36 -1.93 -0.02 0.00 0.52 0.00 0.00 34.95 33.88 3hgj s ARG 190 CO -0.06 -1.27 0.49 0.25 0.02 0.00 0.00 175.30 174.73 3hgj n THR 191 N -2.01 0.00 -0.56 0.02 -2.24 -1.26 -2.68 114.28 105.56 3hgj n THR 191 Ca 0.12 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3hgj n THR 191 Cb 0.51 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.49 0.00 0.00 3.42 5.75 -1.26 -4.92 116.55 119.05 3hgj n ASP 192 Ca 0.03 -0.33 0.01 0.00 -0.01 0.00 0.00 54.79 54.49 3hgj n ASP 192 Cb 0.15 0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.31 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 2.39 -0.01 2.12 0.00 -1.26 -2.90 120.51 117.85 3hgj n ALA 193 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.45 3hgj n ALA 193 Cb 0.00 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.54 0.16 -3.83 0.00 4.01 -1.26 -4.58 117.16 111.12 3hgj n TYR 194 Ca 0.02 -0.37 -0.03 0.00 -0.16 0.00 0.00 57.90 57.35 3hgj n TYR 194 Cb 0.01 -0.03 -0.01 0.00 -0.31 0.00 0.00 39.34 39.00 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 0.05 3.36 7.00 2.72 0.00 -1.14 -4.11 105.19 113.05 3hgj n GLY 195 Ca 0.05 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.10 1.70 3.70 -0.02 0.00 -1.09 -4.54 105.19 104.85 3hgj n GLY 196 Ca 0.01 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 3.45 0.15 1.61 1.04 -1.26 -4.77 113.70 109.93 3hgj s SER 197 Ca 0.00 2.10 -0.16 0.00 0.48 0.00 0.00 55.95 58.37 3hgj s SER 197 Cb 0.00 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.60 3hgj s SER 197 CO 0.00 -2.75 1.80 0.25 0.98 0.00 0.00 173.24 173.52 3hgj h LEU 198 N -1.55 0.37 -0.51 2.42 5.85 -1.97 -0.75 115.31 119.16 3hgj h LEU 198 Ca -0.43 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.31 3hgj h LEU 198 Cb 1.26 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 3hgj h LEU 198 CO 0.45 0.27 0.30 -0.33 -0.34 0.00 0.00 178.44 178.79 3hgj h GLU 199 N 0.46 0.58 -0.75 1.25 3.07 -1.97 -0.05 114.58 117.17 3hgj h GLU 199 Ca 0.15 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 3hgj h GLU 199 Cb 0.01 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 27.75 3hgj h GLU 199 CO -0.07 0.38 0.44 -0.91 -1.40 0.00 0.00 179.01 177.45 3hgj h ASN 200 N 0.60 0.91 0.43 1.42 2.35 -1.54 -1.29 115.58 118.46 3hgj h ASN 200 Ca 0.21 -0.07 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 3hgj h ASN 200 Cb 0.03 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 3hgj h ASN 200 CO -0.10 0.72 -0.50 0.03 -1.65 0.00 0.00 177.43 175.93 3hgj h ARG 201 N 1.03 0.09 0.00 0.81 3.08 -0.87 -2.81 114.38 115.72 3hgj h ARG 201 Ca 0.27 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 3hgj h ARG 201 Cb -0.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 3hgj h ARG 201 CO -0.05 0.57 -0.06 0.52 -1.07 0.00 0.00 179.97 179.89 3hgj h MET 202 N 0.07 0.00 -0.21 0.04 2.86 -0.65 -3.32 114.93 113.73 3hgj h MET 202 Ca 0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3hgj h MET 202 Cb 0.92 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.52 3hgj h MET 202 CO 0.07 0.06 -0.39 -0.09 1.06 0.00 0.00 176.91 177.62 3hgj h ARG 203 N 0.00 -0.32 -0.31 1.72 2.43 -0.96 -0.41 114.38 116.53 3hgj h ARG 203 Ca -0.00 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3hgj h ARG 203 Cb 0.88 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 3hgj h ARG 203 CO 0.01 -0.21 0.14 0.35 -1.51 0.00 0.00 179.97 178.75 3hgj h PHE 204 N -0.33 0.45 -0.89 2.20 3.57 -1.78 -0.07 116.94 120.09 3hgj h PHE 204 Ca 0.04 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3hgj h PHE 204 Cb 0.44 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 3hgj h PHE 204 CO -0.63 0.41 0.59 -1.35 -2.23 0.00 0.00 178.31 175.09 3hgj h PRO 205 N 0.36 1.14 -0.11 6.41 0.11 -1.72 -0.98 132.00 137.20 3hgj h PRO 205 Ca 0.10 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 66.00 3hgj h PRO 205 Cb 0.13 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 3hgj h PRO 205 CO -0.01 0.76 -0.56 -0.07 -0.21 0.00 0.00 178.00 177.90 3hgj h LEU 206 N 1.18 0.39 -0.39 2.35 3.38 -0.74 -0.79 115.31 120.68 3hgj h LEU 206 Ca 0.34 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3hgj h LEU 206 Cb -0.09 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3hgj h LEU 206 CO -0.08 0.87 0.23 1.56 0.09 0.00 0.00 178.44 181.10 3hgj h GLN 207 N 0.27 0.54 -0.73 1.13 4.20 -0.45 0.61 115.11 120.68 3hgj h GLN 207 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3hgj h GLN 207 Cb 1.06 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.70 3hgj h GLN 207 CO 0.09 0.41 0.46 0.28 -0.67 0.00 0.00 178.83 179.40 3hgj h VAL 208 N 0.51 1.20 -0.39 -0.54 2.07 -0.88 0.01 116.25 118.23 3hgj h VAL 208 Ca 0.14 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3hgj h VAL 208 Cb 0.02 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 3hgj h VAL 208 CO -0.03 0.20 0.16 0.00 0.02 0.00 0.00 177.57 177.92 3hgj h ALA 209 N 1.25 0.50 -0.43 1.67 0.00 -0.80 0.76 119.26 122.21 3hgj h ALA 209 Ca 0.26 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3hgj h ALA 209 Cb -0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3hgj h ALA 209 CO -0.05 0.10 -0.00 0.37 0.00 0.00 0.00 179.25 179.67 3hgj h GLN 210 N 0.48 0.76 -0.73 0.00 4.15 -0.71 0.24 115.11 119.31 3hgj h GLN 210 Ca 0.13 -0.24 -0.04 0.00 0.77 0.00 0.00 58.65 59.27 3hgj h GLN 210 Cb 0.18 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.77 3hgj h GLN 210 CO -0.01 0.83 0.31 0.00 -1.93 0.00 0.00 178.83 178.03 3hgj h ALA 211 N 0.90 1.17 -0.09 3.38 0.00 -0.67 -2.00 119.26 121.94 3hgj h ALA 211 Ca 0.12 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.66 3hgj h ALA 211 Cb 0.49 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hgj h ALA 211 CO 0.02 0.61 -0.77 0.28 0.00 0.00 0.00 179.25 179.39 3hgj h VAL 212 N 1.05 1.35 -0.86 0.00 2.07 -0.54 -3.17 116.25 116.14 3hgj h VAL 212 Ca 0.25 -2.12 0.14 0.00 0.82 0.00 0.00 66.70 65.79 3hgj h VAL 212 Cb 0.18 2.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.98 3hgj h VAL 212 CO -0.02 0.65 0.56 0.03 0.02 0.00 0.00 177.57 178.80 3hgj h ARG 213 N 0.35 0.62 -0.21 1.57 2.47 -0.31 -1.58 114.38 117.29 3hgj h ARG 213 Ca -0.04 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 3hgj h ARG 213 Cb 1.37 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 29.54 3hgj h ARG 213 CO 0.14 0.41 0.03 0.93 0.56 0.00 0.00 179.97 182.04 3hgj h GLU 214 N 0.64 0.30 -0.02 0.04 5.08 -1.33 -2.89 114.58 116.40 3hgj h GLU 214 Ca 0.43 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3hgj h GLU 214 Cb 0.74 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3hgj h GLU 214 CO -0.19 0.30 -0.15 1.33 -1.00 0.00 0.00 179.01 179.30 3hgj n VAL 215 N -4.39 0.00 -3.64 3.13 0.24 -0.65 -4.81 118.33 108.21 3hgj n VAL 215 Ca 0.00 -0.42 -0.40 0.00 -2.04 0.00 0.00 64.34 61.48 3hgj n VAL 215 Cb 0.16 1.33 -0.11 0.00 -1.47 0.00 0.00 33.84 33.75 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 -1.82 4.38 0.61 3.34 1.01 -0.88 -4.86 120.40 122.19 3hgj s VAL 216 Ca 0.20 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.09 3hgj s VAL 216 Cb 0.16 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.06 3hgj s VAL 216 CO 0.33 -0.21 1.16 -0.81 0.00 0.00 0.00 175.10 175.58 3hgj n PRO 217 N 4.95 1.12 0.18 2.72 -0.04 -1.26 -4.85 135.00 137.82 3hgj n PRO 217 Ca -0.12 0.43 0.18 0.00 -0.04 0.00 0.00 63.50 63.95 3hgj n PRO 217 Cb 0.46 -2.38 0.80 0.00 -0.04 0.00 0.00 33.50 32.35 3hgj n PRO 217 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hgj h ARG 218 N 0.68 0.00 0.00 0.54 2.47 -1.97 -0.66 114.38 115.44 3hgj h ARG 218 Ca -0.50 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 3hgj h ARG 218 Cb 1.34 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.66 3hgj h ARG 218 CO 0.53 0.00 0.00 1.05 0.56 0.00 0.00 179.97 182.11 3hgj h GLU 219 N 0.00 0.00 -4.71 0.04 9.09 -1.91 -3.36 114.58 113.73 3hgj h GLU 219 Ca 0.11 0.00 -0.69 0.00 0.05 0.00 0.00 59.36 58.84 3hgj h GLU 219 Cb 0.64 0.00 -0.24 0.00 -1.65 0.00 0.00 28.75 27.50 3hgj h GLU 219 CO -0.00 0.00 -0.55 -0.51 0.05 0.00 0.00 179.01 177.99 3hgj s LEU 220 N -4.68 4.29 0.45 3.06 1.43 -0.26 0.25 118.68 123.21 3hgj s LEU 220 Ca 0.05 -0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 52.16 3hgj s LEU 220 Cb 0.10 -1.99 -0.08 0.00 0.03 0.00 0.00 46.19 44.25 3hgj s LEU 220 CO 0.44 -0.26 1.30 -2.84 0.23 0.00 0.00 176.35 175.22 3hgj s PRO 221 N 1.57 3.74 -0.19 1.29 0.02 -1.24 -4.74 135.00 135.46 3hgj s PRO 221 Ca 0.03 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.20 3hgj s PRO 221 Cb -0.18 -2.59 0.02 0.00 0.02 0.00 0.00 34.50 31.77 3hgj s PRO 221 CO 0.06 -0.67 -0.18 -1.17 -0.33 0.00 0.00 177.00 174.70 3hgj s LEU 222 N -2.77 2.23 0.19 -5.54 2.96 -1.26 -2.18 118.68 112.30 3hgj s LEU 222 Ca 0.61 -0.72 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 3hgj s LEU 222 Cb -0.38 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 3hgj s LEU 222 CO 0.47 -0.03 0.28 -0.36 -1.32 0.00 0.00 176.35 175.40 3hgj s PHE 223 N 1.29 3.40 -0.05 5.38 0.40 0.50 -0.73 117.98 128.16 3hgj s PHE 223 Ca 0.03 0.03 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 3hgj s PHE 223 Cb -0.14 -1.59 0.02 0.00 0.51 0.00 0.00 43.02 41.83 3hgj s PHE 223 CO -0.12 0.49 -0.03 0.08 0.70 0.00 0.00 175.22 176.34 3hgj s VAL 224 N -1.86 0.47 -0.10 -0.44 1.01 -0.83 -1.75 120.40 116.90 3hgj s VAL 224 Ca 0.34 -0.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.15 3hgj s VAL 224 Cb -0.10 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 3hgj s VAL 224 CO 0.28 0.23 0.32 -0.60 0.00 0.00 0.00 175.10 175.33 3hgj s ARG 225 N 1.26 4.05 0.05 2.72 3.52 -0.66 -0.34 118.95 129.56 3hgj s ARG 225 Ca -0.06 0.18 0.03 0.00 -0.13 0.00 0.00 55.73 55.76 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 0.44 -0.10 0.54 -0.81 0.00 0.00 175.30 175.35 3hgj s VAL 226 N -0.19 0.76 -0.54 7.11 0.11 -0.52 -0.90 120.40 126.24 3hgj s VAL 226 Ca 0.19 -1.19 -0.28 0.00 -2.93 0.00 0.00 61.98 57.77 3hgj s VAL 226 Cb -0.14 -0.81 0.03 0.00 -1.53 0.00 0.00 36.38 33.93 3hgj s VAL 226 CO 0.07 -0.34 1.15 -0.44 -3.33 0.00 0.00 175.10 172.21 3hgj s SER 227 N -1.68 6.51 0.55 3.54 0.01 -1.26 -0.26 113.70 121.10 3hgj s SER 227 Ca -0.06 0.21 0.34 0.00 1.31 0.00 0.00 55.95 57.75 3hgj s SER 227 Cb -0.10 -2.54 1.48 0.00 0.21 0.00 0.00 66.02 65.07 3hgj s SER 227 CO 0.01 -1.37 2.02 0.00 0.41 0.00 0.00 173.24 174.31 3hgj h ALA 228 N 9.40 1.00 -2.47 1.44 0.00 -1.49 -3.40 119.26 123.74 3hgj h ALA 228 Ca -0.24 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 3hgj h ALA 228 Cb 1.06 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.64 3hgj h ALA 228 CO 1.15 0.00 -0.18 -0.08 0.00 0.00 0.00 179.25 180.14 3hgj s THR 229 N -3.71 0.03 -2.32 0.00 -1.32 -1.26 -2.70 115.64 104.37 3hgj s THR 229 Ca 0.01 -0.28 0.29 0.00 -1.21 0.00 0.00 61.69 60.49 3hgj s THR 229 Cb 0.09 -0.68 0.59 0.00 -1.51 0.00 0.00 72.50 71.00 3hgj s THR 229 CO 0.52 -0.15 1.83 -0.90 -2.21 0.00 0.00 174.62 173.70 3hgj n ASP 230 N 1.59 1.14 -0.92 8.08 3.85 -0.71 -1.22 116.55 128.36 3hgj n ASP 230 Ca -0.19 -1.32 -0.12 0.00 -0.71 0.00 0.00 54.79 52.45 3hgj n ASP 230 Cb 0.56 0.01 -0.05 0.00 -1.35 0.00 0.00 41.12 40.29 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 -0.15 -0.01 -3.94 2.11 7.02 -1.26 -4.62 117.44 116.58 3hgj n TRP 231 Ca 0.19 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.36 3hgj n TRP 231 Cb 0.31 -2.82 -0.05 0.00 -2.42 0.00 0.00 31.31 26.32 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 -2.41 2.15 0.24 6.99 0.00 -1.26 -4.59 107.32 108.44 3hgj s GLY 232 Ca 0.00 -0.84 -0.31 0.00 0.00 0.00 0.00 44.72 43.56 3hgj s GLY 232 CO 0.00 -0.79 1.69 1.18 0.00 0.00 0.00 173.10 175.18 3hgj n GLU 233 N 0.55 2.77 -0.86 2.90 -0.58 -1.26 -1.08 120.64 123.07 3hgj n GLU 233 Ca -0.08 1.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.66 3hgj n GLU 233 Cb 0.52 -2.83 0.00 0.00 -0.57 0.00 0.00 31.44 28.56 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 3.42 0.66 0.00 0.62 0.00 -1.26 -4.99 105.19 103.65 3hgj n GLY 234 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.98 -1.45 3.70 -0.02 0.00 -0.24 -4.79 105.19 100.40 3hgj n GLY 235 Ca 0.00 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.51 3.41 0.47 1.61 -0.11 -1.26 -4.87 118.94 117.68 3hgj s TRP 236 Ca 0.00 1.41 0.05 0.00 1.22 0.00 0.00 56.10 58.79 3hgj s TRP 236 Cb 0.00 -3.31 -0.02 0.00 -1.50 0.00 0.00 33.47 28.64 3hgj s TRP 236 CO 0.00 -0.81 0.20 -1.54 -4.62 0.00 0.00 176.95 170.18 3hgj s SER 237 N 1.20 4.40 0.36 5.86 1.04 -1.26 -1.73 113.70 123.58 3hgj s SER 237 Ca 0.54 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 55.75 3hgj s SER 237 Cb -0.24 -0.03 0.69 0.00 0.10 0.00 0.00 66.02 66.54 3hgj s SER 237 CO 0.24 -0.76 2.02 0.25 0.98 0.00 0.00 173.24 175.97 3hgj h LEU 238 N 1.24 0.66 -0.78 2.42 5.85 -1.92 -0.77 115.31 122.02 3hgj h LEU 238 Ca -0.41 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 3hgj h LEU 238 Cb 1.28 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3hgj h LEU 238 CO 0.68 0.49 0.32 -0.33 -0.34 0.00 0.00 178.44 179.25 3hgj h GLU 239 N 0.78 1.16 -0.46 1.25 4.39 -1.96 0.45 114.58 120.18 3hgj h GLU 239 Ca 0.21 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 3hgj h GLU 239 Cb -0.07 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.36 3hgj h GLU 239 CO -0.04 0.93 0.29 -0.44 -1.16 0.00 0.00 179.01 178.58 3hgj h ASP 240 N 1.12 0.55 -0.93 1.42 3.32 -1.74 -2.13 116.42 118.04 3hgj h ASP 240 Ca 0.26 -0.05 0.12 0.00 0.02 0.00 0.00 57.03 57.38 3hgj h ASP 240 Cb 0.20 -0.14 -0.07 0.00 0.22 0.00 0.00 39.33 39.54 3hgj h ASP 240 CO -0.02 0.44 0.59 0.74 -1.72 0.00 0.00 179.24 179.27 3hgj h THR 241 N 0.62 0.90 -0.61 0.35 2.02 -0.13 -0.25 112.91 115.81 3hgj h THR 241 Ca 0.17 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 3hgj h THR 241 Cb -0.02 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.35 3hgj h THR 241 CO -0.03 0.15 0.18 -0.07 0.37 0.00 0.00 175.52 176.12 3hgj h LEU 242 N 0.84 0.90 -0.12 2.58 3.38 -0.34 0.10 115.31 122.65 3hgj h LEU 242 Ca 0.46 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 3hgj h LEU 242 Cb 0.56 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3hgj h LEU 242 CO -0.22 0.87 0.05 0.00 0.09 0.00 0.00 178.44 179.23 3hgj h ALA 243 N 1.06 0.15 -0.31 1.53 0.00 -0.72 -1.87 119.26 119.11 3hgj h ALA 243 Ca 0.20 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3hgj h ALA 243 Cb 0.30 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3hgj h ALA 243 CO -0.00 -0.27 0.05 0.35 0.00 0.00 0.00 179.25 179.38 3hgj h PHE 244 N 0.04 0.08 -0.96 0.00 3.57 -1.00 -2.35 116.94 116.32 3hgj h PHE 244 Ca 0.04 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.62 3hgj h PHE 244 Cb 0.15 0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.84 3hgj h PHE 244 CO -0.02 0.01 0.63 0.00 -2.23 0.00 0.00 178.31 176.69 3hgj h ALA 245 N 1.23 1.44 0.15 2.41 0.00 -0.67 0.05 119.26 123.87 3hgj h ALA 245 Ca 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hgj h ALA 245 Cb 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hgj h ALA 245 CO -0.20 0.43 -0.10 -0.09 0.00 0.00 0.00 179.25 179.29 3hgj h ARG 246 N 1.14 -0.24 -0.34 0.00 2.43 -0.90 0.25 114.38 116.71 3hgj h ARG 246 Ca 0.41 0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.64 3hgj h ARG 246 Cb 0.14 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 3hgj h ARG 246 CO -0.15 -0.16 0.10 0.00 -1.51 0.00 0.00 179.97 178.25 3hgj h ARG 247 N -0.25 0.22 -0.47 0.20 2.47 -0.94 -0.72 114.38 114.89 3hgj h ARG 247 Ca -0.01 -0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.77 3hgj h ARG 247 Cb 0.21 -0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 28.42 3hgj h ARG 247 CO 0.01 0.15 0.10 -0.07 0.56 0.00 0.00 179.97 180.72 3hgj h LEU 248 N 0.23 0.02 -1.13 3.04 3.38 -0.71 -0.93 115.31 119.21 3hgj h LEU 248 Ca 0.16 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3hgj h LEU 248 Cb 0.15 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3hgj h LEU 248 CO -0.18 0.04 0.28 0.50 0.09 0.00 0.00 178.44 179.17 3hgj h LYS 249 N 0.24 0.89 -0.17 1.13 3.64 0.01 -0.52 116.57 121.79 3hgj h LYS 249 Ca 0.24 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3hgj h LYS 249 Cb 0.30 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3hgj h LYS 249 CO -0.30 0.70 -0.09 0.93 -2.27 0.00 0.00 179.45 178.42 3hgj h GLU 250 N 0.88 0.26 0.00 1.90 5.08 -0.42 -2.20 114.58 120.08 3hgj h GLU 250 Ca 0.21 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3hgj h GLU 250 Cb 0.12 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3hgj h GLU 250 CO -0.03 0.36 0.00 1.28 -1.00 0.00 0.00 179.01 179.63 3hgj n LEU 251 N -4.30 0.00 0.00 1.33 4.77 -0.25 -4.89 117.00 113.65 3hgj n LEU 251 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hgj n LEU 251 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3hgj n LEU 251 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 3hgj n GLY 252 N 0.80 0.40 3.77 -0.72 0.00 -0.83 -4.94 105.19 103.68 3hgj n GLY 252 Ca 0.17 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 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 3.04 -0.02 1.61 1.01 -0.92 -4.88 120.40 118.24 3hgj s VAL 253 Ca 0.00 0.96 -0.07 0.00 0.00 0.00 0.00 61.98 62.86 3hgj s VAL 253 Cb 0.00 -3.58 -0.30 0.00 0.00 0.00 0.00 36.38 32.51 3hgj s VAL 253 CO 0.00 0.16 0.78 0.44 0.00 0.00 0.00 175.10 176.48 3hgj h ASP 254 N 3.07 0.52 -3.85 3.32 5.19 -1.27 -3.43 116.42 119.97 3hgj h ASP 254 Ca -0.48 -0.74 -0.09 0.00 -0.62 0.00 0.00 57.03 55.10 3hgj h ASP 254 Cb 1.23 -0.17 -0.23 0.00 0.18 0.00 0.00 39.33 40.34 3hgj h ASP 254 CO 0.64 1.62 -0.11 -0.22 -3.12 0.00 0.00 179.24 178.05 3hgj s LEU 255 N -7.16 -0.05 -0.29 1.55 0.20 -1.18 -4.12 118.68 107.64 3hgj s LEU 255 Ca -0.12 1.07 -0.09 0.00 0.69 0.00 0.00 54.13 55.67 3hgj s LEU 255 Cb 0.06 1.80 -0.02 0.00 -0.43 0.00 0.00 46.19 47.60 3hgj s LEU 255 CO 0.86 -0.19 0.14 -0.22 -0.29 0.00 0.00 176.35 176.65 3hgj s LEU 256 N 0.39 3.91 -0.48 -0.68 2.96 -0.07 -1.95 118.68 122.75 3hgj s LEU 256 Ca -0.01 -0.32 -0.21 0.00 -0.22 0.00 0.00 54.13 53.37 3hgj s LEU 256 Cb -0.04 -2.01 0.04 0.00 0.50 0.00 0.00 46.19 44.68 3hgj s LEU 256 CO -0.01 -0.12 0.72 -0.62 -1.32 0.00 0.00 176.35 175.00 3hgj s ASP 257 N 1.65 6.32 -0.54 3.68 3.68 0.54 -1.11 116.67 130.89 3hgj s ASP 257 Ca 0.06 -0.44 -0.18 0.00 2.13 0.00 0.00 52.55 54.12 3hgj s ASP 257 Cb -0.16 -2.35 0.10 0.00 -1.45 0.00 0.00 42.92 39.06 3hgj s ASP 257 CO 0.07 -0.91 0.58 0.00 0.13 0.00 0.00 175.17 175.03 3hgj n SER 259 N 5.80 0.48 -3.71 0.00 2.88 0.63 -4.26 113.62 115.45 3hgj n SER 259 Ca -0.11 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.39 3hgj n SER 259 Cb 0.43 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.43 -0.20 0.53 -3.46 1.04 -1.26 -1.15 113.70 108.78 3hgj s SER 260 Ca 0.00 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3hgj s SER 260 Cb 0.00 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3hgj s SER 260 CO 0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3hgj n GLY 261 N -0.44 -1.26 2.74 7.32 0.00 -0.36 -4.72 105.19 108.47 3hgj n GLY 261 Ca -0.07 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 3.09 0.15 -0.02 0.00 -1.26 -3.27 105.19 103.87 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 1.31 -3.82 1.61 2.07 -1.87 -3.29 116.25 112.26 3hgj h VAL 263 Ca 0.00 -1.16 -0.33 0.00 0.82 0.00 0.00 66.70 66.03 3hgj h VAL 263 Cb 0.00 1.66 -0.15 0.00 -1.52 0.00 0.00 31.29 31.29 3hgj h VAL 263 CO 0.00 0.35 -0.62 0.68 0.02 0.00 0.00 177.57 178.00 3hgj s VAL 264 N -4.57 0.54 -0.13 2.57 -7.23 -1.26 -4.83 120.40 105.50 3hgj s VAL 264 Ca -0.14 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 57.98 3hgj s VAL 264 Cb 0.06 -2.53 -0.25 0.00 0.56 0.00 0.00 36.38 34.21 3hgj s VAL 264 CO 0.75 -0.09 0.32 -0.11 -0.31 0.00 0.00 175.10 175.66 3hgj n LEU 265 N -0.41 2.66 -3.74 1.32 7.94 -1.26 -4.57 117.00 118.94 3hgj n LEU 265 Ca -0.01 0.18 -0.42 0.00 -1.11 0.00 0.00 56.01 54.65 3hgj n LEU 265 Cb 0.66 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.51 3hgj n LEU 265 CO 0.36 0.86 2.01 0.54 -1.11 0.00 0.00 177.39 180.06 3hgj n ARG 266 N -3.46 4.09 -4.36 1.96 3.00 -1.26 -4.84 116.66 111.78 3hgj n ARG 266 Ca -0.33 -3.64 -0.19 0.00 -0.01 0.00 0.00 57.85 53.68 3hgj n ARG 266 Cb 1.04 -2.77 -0.10 0.00 0.00 0.00 0.00 32.46 30.63 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 -0.59 1.51 -0.17 1.55 -7.23 -1.26 -5.07 120.40 109.15 3hgj s VAL 267 Ca 0.43 -2.13 -0.10 0.00 -1.81 0.00 0.00 61.98 58.37 3hgj s VAL 267 Cb 0.12 -2.22 -0.05 0.00 0.56 0.00 0.00 36.38 34.80 3hgj s VAL 267 CO -0.02 -0.46 0.18 -0.60 -0.31 0.00 0.00 175.10 173.89 3hgj s ARG 268 N -3.73 4.04 -0.20 4.82 3.52 -1.26 -5.07 118.95 121.08 3hgj s ARG 268 Ca 0.25 -0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.76 3hgj s ARG 268 Cb 0.02 -3.37 0.03 0.00 -1.56 0.00 0.00 34.95 30.08 3hgj s ARG 268 CO 0.08 0.40 -0.16 0.42 -0.81 0.00 0.00 175.30 175.23 3hgj s ILE 269 N 0.05 1.98 -1.34 4.11 1.01 -1.26 -4.95 121.20 120.80 3hgj s ILE 269 Ca 0.12 -1.07 -0.17 0.00 0.00 0.00 0.00 60.65 59.53 3hgj s ILE 269 Cb -0.12 -1.90 0.04 0.00 0.01 0.00 0.00 42.46 40.50 3hgj s ILE 269 CO 0.01 0.35 1.95 -0.81 0.00 0.00 0.00 174.94 176.45 3hgj n PRO 270 N 4.60 2.93 -1.73 2.79 -0.04 -1.26 -4.93 135.00 137.35 3hgj n PRO 270 Ca -0.18 -2.92 -0.42 0.00 -0.04 0.00 0.00 63.50 59.94 3hgj n PRO 270 Cb 0.48 -3.40 -0.03 0.00 -0.04 0.00 0.00 33.50 30.50 3hgj n PRO 270 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hgj s LEU 271 N 3.59 4.37 0.20 1.53 1.43 -1.26 -4.87 118.68 123.67 3hgj s LEU 271 Ca 0.52 2.85 -0.21 0.00 -1.03 0.00 0.00 54.13 56.26 3hgj s LEU 271 Cb 0.08 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.75 3hgj s LEU 271 CO 0.02 -0.97 0.60 0.00 0.23 0.00 0.00 176.35 176.23 3hgj s ALA 272 N 1.36 -1.32 0.29 4.21 0.00 -1.26 -5.04 121.76 120.01 3hgj s ALA 272 Ca 0.75 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 52.51 3hgj s ALA 272 Cb -0.49 0.86 -0.12 0.00 0.00 0.00 0.00 23.12 23.37 3hgj s ALA 272 CO 0.32 -0.84 1.50 -2.30 0.00 0.00 0.00 175.76 174.44 3hgj n PRO 273 N -0.39 2.45 -1.49 0.00 -0.02 -1.26 -1.82 135.00 132.47 3hgj n PRO 273 Ca -0.12 0.87 -0.16 0.00 -2.02 0.00 0.00 63.50 62.07 3hgj n PRO 273 Cb 0.63 -2.59 -0.07 0.00 -0.02 0.00 0.00 33.50 31.46 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 1.79 1.52 0.28 -1.23 0.00 -1.01 -4.91 105.19 101.62 3hgj n GLY 274 Ca 0.08 -0.27 0.19 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 -0.02 1.61 -5.15 -1.53 -0.74 116.94 111.11 3hgj h PHE 275 Ca -0.32 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.45 3hgj h PHE 275 Cb 1.04 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.21 3hgj h PHE 275 CO 0.44 0.00 -0.07 1.04 -2.00 0.00 0.00 178.31 177.72 3hgj n GLN 276 N -2.83 1.70 -0.27 6.09 6.02 -1.26 -4.50 117.38 122.33 3hgj n GLN 276 Ca -0.02 -1.54 -0.03 0.00 -0.01 0.00 0.00 57.00 55.40 3hgj n GLN 276 Cb 0.08 -1.37 0.13 0.00 1.02 0.00 0.00 30.24 30.10 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 3.56 1.24 -0.29 5.09 2.07 -1.38 -1.76 116.25 124.78 3hgj h VAL 277 Ca 0.00 -0.64 0.09 0.00 0.82 0.00 0.00 66.70 66.96 3hgj h VAL 277 Cb 0.79 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3hgj h VAL 277 CO 0.00 0.28 0.22 1.55 0.02 0.00 0.00 177.57 179.64 3hgj h PRO 278 N 1.13 0.00 -0.22 1.57 0.13 -1.79 0.42 132.00 133.24 3hgj h PRO 278 Ca 0.28 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.30 3hgj h PRO 278 Cb 0.07 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.20 3hgj h PRO 278 CO -0.04 0.00 -0.27 0.74 -0.23 0.00 0.00 178.00 178.20 3hgj h PHE 279 N 0.00 0.69 -0.63 1.56 0.04 -1.63 -0.96 116.94 116.01 3hgj h PHE 279 Ca 0.14 -0.22 -0.04 0.00 2.80 0.00 0.00 57.97 60.65 3hgj h PHE 279 Cb 0.58 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.56 3hgj h PHE 279 CO 0.00 0.93 0.25 0.00 -0.60 0.00 0.00 178.31 178.90 3hgj h ALA 280 N 0.64 1.25 -0.30 2.45 0.00 -1.30 -2.97 119.26 119.04 3hgj h ALA 280 Ca 0.03 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3hgj h ALA 280 Cb 0.84 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3hgj h ALA 280 CO 0.06 0.55 -0.19 0.22 0.00 0.00 0.00 179.25 179.89 3hgj h ASP 281 N 0.91 0.69 0.21 0.00 1.82 -0.26 -1.54 116.42 118.25 3hgj h ASP 281 Ca 0.22 -0.43 -0.01 0.00 -0.39 0.00 0.00 57.03 56.41 3hgj h ASP 281 Cb 0.18 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.00 3hgj h ASP 281 CO -0.02 0.97 -0.10 0.00 -1.61 0.00 0.00 179.24 178.48 3hgj h ALA 282 N 0.74 -0.28 -0.39 -0.78 0.00 -1.20 -0.14 119.26 117.21 3hgj h ALA 282 Ca 0.06 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3hgj h ALA 282 Cb 0.74 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.57 3hgj h ALA 282 CO 0.05 -0.57 0.02 0.28 0.00 0.00 0.00 179.25 179.03 3hgj h VAL 283 N -0.45 0.73 -0.07 0.00 2.07 -1.55 0.15 116.25 117.13 3hgj h VAL 283 Ca -0.03 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 3hgj h VAL 283 Cb 0.34 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 3hgj h VAL 283 CO 0.05 0.02 0.03 -0.09 0.02 0.00 0.00 177.57 177.60 3hgj h ARG 284 N 0.13 0.11 0.00 1.57 2.43 -0.98 0.19 114.38 117.83 3hgj h ARG 284 Ca 0.19 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.22 3hgj h ARG 284 Cb 0.26 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3hgj h ARG 284 CO -0.30 0.21 -0.59 0.87 -1.51 0.00 0.00 179.97 178.65 3hgj h LYS 285 N -0.02 0.00 0.00 0.20 1.57 -0.85 -2.12 116.57 115.36 3hgj h LYS 285 Ca 0.02 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 3hgj h LYS 285 Cb 0.14 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 3hgj h LYS 285 CO -0.00 0.59 -2.00 0.54 -0.57 0.00 0.00 179.45 178.01 3hgj n ARG 286 N -3.25 0.92 -0.02 3.15 1.74 0.49 -4.57 116.66 115.13 3hgj n ARG 286 Ca 0.02 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3hgj n ARG 286 Cb 0.77 -1.43 -0.05 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 -2.38 0.20 -0.63 1.55 0.31 0.03 -5.01 118.33 112.40 3hgj n VAL 287 Ca -0.16 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 3hgj n VAL 287 Cb 0.77 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 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 2.36 0.72 3.73 2.92 0.00 -0.80 -4.97 105.19 109.16 3hgj n GLY 288 Ca -0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 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 4.35 0.47 0.99 2.96 -1.25 -5.02 118.68 121.17 3hgj s LEU 289 Ca 0.00 1.16 -0.24 0.00 -0.22 0.00 0.00 54.13 54.83 3hgj s LEU 289 Cb 0.00 -3.01 -0.07 0.00 0.50 0.00 0.00 46.19 43.61 3hgj s LEU 289 CO 0.00 -0.04 1.32 -0.13 -1.32 0.00 0.00 176.35 176.18 3hgj s ARG 290 N 0.46 3.61 0.09 1.98 0.52 -1.26 -3.97 118.95 120.38 3hgj s ARG 290 Ca 0.35 2.16 0.07 0.00 -0.52 0.00 0.00 55.73 57.78 3hgj s ARG 290 Cb -0.18 -2.51 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 3hgj s ARG 290 CO 0.17 -0.79 -0.17 0.95 0.02 0.00 0.00 175.30 175.48 3hgj s THR 291 N -1.32 1.42 -0.17 0.02 -4.23 -1.26 -0.90 115.64 109.20 3hgj s THR 291 Ca 0.64 -1.45 -0.06 0.00 -1.18 0.00 0.00 61.69 59.64 3hgj s THR 291 Cb -0.38 -1.34 -0.03 0.00 1.34 0.00 0.00 72.50 72.09 3hgj s THR 291 CO 0.47 -0.16 0.02 -0.83 -0.54 0.00 0.00 174.62 173.58 3hgj s GLY 292 N -1.87 1.82 -0.07 3.99 0.00 -0.26 -0.11 107.32 110.81 3hgj s GLY 292 Ca 0.03 -0.79 -0.09 0.00 0.00 0.00 0.00 44.72 43.86 3hgj s GLY 292 CO 0.03 0.02 0.23 0.00 0.00 0.00 0.00 173.10 173.38 3hgj s ALA 293 N 0.42 3.83 -0.05 3.20 0.00 -0.49 -1.81 121.76 126.85 3hgj s ALA 293 Ca 0.00 -0.52 -0.17 0.00 0.00 0.00 0.00 51.96 51.27 3hgj s ALA 293 Cb -0.13 -2.09 0.03 0.00 0.00 0.00 0.00 23.12 20.93 3hgj s ALA 293 CO 0.01 0.59 0.38 0.54 0.00 0.00 0.00 175.76 177.28 3hgj s VAL 294 N -1.07 0.04 0.00 0.00 0.11 -1.26 -0.60 120.40 117.61 3hgj s VAL 294 Ca 0.19 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.94 3hgj s VAL 294 Cb -0.13 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.06 3hgj s VAL 294 CO 0.08 -0.16 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 3hgj n GLY 295 N 1.59 2.06 3.40 6.54 0.00 -1.26 -4.38 105.19 113.14 3hgj n GLY 295 Ca -0.19 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.37 -4.49 0.99 4.77 -1.26 -2.42 117.00 111.23 3hgj n LEU 296 Ca 0.00 -0.50 -0.43 0.00 -0.03 0.00 0.00 56.01 55.05 3hgj n LEU 296 Cb 0.00 -2.84 -0.09 0.00 -2.33 0.00 0.00 43.42 38.16 3hgj n LEU 296 CO 0.00 0.57 0.04 -0.63 -1.33 0.00 0.00 177.39 176.04 3hgj s ILE 297 N -3.30 5.15 0.00 -0.08 1.01 -1.26 -3.26 121.20 119.46 3hgj s ILE 297 Ca 0.47 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.75 3hgj s ILE 297 Cb -0.21 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.30 3hgj s ILE 297 CO 0.67 -0.33 0.26 0.35 0.00 0.00 0.00 174.94 175.89 3hgj n THR 298 N 5.32 0.03 -4.22 2.92 -2.24 -1.26 -4.79 114.28 110.04 3hgj n THR 298 Ca -0.09 -0.25 -0.18 0.00 -2.27 0.00 0.00 64.05 61.27 3hgj n THR 298 Cb 0.48 1.49 -0.15 0.00 -2.10 0.00 0.00 70.33 70.04 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 -0.03 0.53 0.37 4.28 2.01 -1.26 -5.03 115.64 116.51 3hgj s THR 299 Ca 0.00 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 61.82 3hgj s THR 299 Cb 0.00 -0.48 0.19 0.00 0.01 0.00 0.00 72.50 72.23 3hgj s THR 299 CO 0.00 0.17 1.94 -0.65 -0.69 0.00 0.00 174.62 175.39 3hgj h PRO 300 N 6.31 0.49 -0.07 4.92 0.11 -1.98 -1.15 132.00 140.63 3hgj h PRO 300 Ca -0.32 -0.08 -0.21 0.00 0.11 0.00 0.00 66.00 65.51 3hgj h PRO 300 Cb 1.18 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3hgj h PRO 300 CO 0.49 0.46 -0.81 0.93 -0.21 0.00 0.00 178.00 178.86 3hgj h GLU 301 N 0.48 0.51 0.02 1.05 3.07 -1.95 0.68 114.58 118.45 3hgj h GLU 301 Ca 0.11 -0.46 -0.00 0.00 -0.50 0.00 0.00 59.36 58.51 3hgj h GLU 301 Cb 0.21 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3hgj h GLU 301 CO -0.00 1.09 -0.01 0.37 -1.40 0.00 0.00 179.01 179.06 3hgj h GLN 302 N 0.33 -0.03 -0.22 2.33 4.15 -1.95 -1.41 115.11 118.32 3hgj h GLN 302 Ca -0.05 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.40 3hgj h GLN 302 Cb 1.42 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.08 3hgj h GLN 302 CO 0.15 0.13 0.02 0.00 -1.93 0.00 0.00 178.83 177.19 3hgj h ALA 303 N 0.79 0.20 -0.81 3.38 0.00 -0.87 -2.10 119.26 119.85 3hgj h ALA 303 Ca -0.00 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.04 3hgj h ALA 303 Cb 0.17 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.98 3hgj h ALA 303 CO 0.01 -0.41 0.48 1.49 0.00 0.00 0.00 179.25 180.81 3hgj h GLU 304 N 0.09 0.81 -0.32 0.00 4.57 -0.86 -2.82 114.58 116.04 3hgj h GLU 304 Ca 0.10 -0.05 -0.13 0.00 -1.18 0.00 0.00 59.36 58.10 3hgj h GLU 304 Cb 0.12 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.52 3hgj h GLU 304 CO -0.16 0.53 -0.32 1.15 -1.18 0.00 0.00 179.01 179.03 3hgj h THR 305 N 0.83 1.29 -0.20 0.32 2.02 -0.79 0.19 112.91 116.58 3hgj h THR 305 Ca 0.38 -1.49 -0.09 0.00 0.77 0.00 0.00 66.41 65.98 3hgj h THR 305 Cb 0.28 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3hgj h THR 305 CO -0.22 0.49 -0.27 0.17 0.37 0.00 0.00 175.52 176.06 3hgj h LEU 306 N 0.56 0.37 -0.40 2.58 8.10 -1.30 0.01 115.31 125.23 3hgj h LEU 306 Ca 0.05 -0.12 -0.07 0.00 0.11 0.00 0.00 57.88 57.85 3hgj h LEU 306 Cb 0.90 -0.10 -0.01 0.00 -0.44 0.00 0.00 40.66 41.01 3hgj h LEU 306 CO 0.08 0.64 -0.01 -0.07 -4.11 0.00 0.00 178.44 174.97 3hgj h LEU 307 N 0.33 0.70 -1.78 0.17 3.38 -1.18 -0.93 115.31 116.00 3hgj h LEU 307 Ca 0.05 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.73 3hgj h LEU 307 Cb 0.65 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3hgj h LEU 307 CO 0.05 0.84 0.19 1.56 0.09 0.00 0.00 178.44 181.17 3hgj h GLN 308 N 0.54 0.29 0.00 1.13 1.08 0.30 -2.08 115.11 116.36 3hgj h GLN 308 Ca 0.11 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3hgj h GLN 308 Cb 0.49 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 3hgj h GLN 308 CO 0.02 0.19 0.00 0.00 -0.95 0.00 0.00 178.83 178.09 3hgj n ALA 309 N -2.51 2.35 -1.54 3.87 0.00 -0.10 -4.88 120.51 117.70 3hgj n ALA 309 Ca 0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.27 3hgj n ALA 309 Cb 0.14 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.12 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 1.09 0.59 0.12 0.00 0.00 -0.78 -4.94 105.19 101.27 3hgj n GLY 310 Ca 0.12 -0.70 -0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -5.11 1.61 0.02 -1.38 -3.45 113.55 105.24 3hgj h SER 311 Ca -0.14 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 3hgj h SER 311 Cb 0.68 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.15 3hgj h SER 311 CO 0.19 0.64 0.07 0.00 -1.14 0.00 0.00 176.83 176.59 3hgj s ALA 312 N -3.06 -0.77 -0.08 3.77 0.00 -1.26 -1.95 121.76 118.40 3hgj s ALA 312 Ca 0.02 -0.56 0.21 0.00 0.00 0.00 0.00 51.96 51.62 3hgj s ALA 312 Cb 0.09 0.95 -0.31 0.00 0.00 0.00 0.00 23.12 23.85 3hgj s ALA 312 CO 0.76 -0.95 0.36 -0.25 0.00 0.00 0.00 175.76 175.67 3hgj n ASP 313 N -0.42 0.01 -3.93 0.00 9.92 0.84 -4.68 116.55 118.28 3hgj n ASP 313 Ca -0.03 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.06 3hgj n ASP 313 Cb 0.60 1.70 -0.15 0.00 -0.64 0.00 0.00 41.12 42.63 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 -4.81 1.80 -0.27 0.64 2.96 -1.04 -4.88 118.68 113.08 3hgj s LEU 314 Ca -0.09 -0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 53.64 3hgj s LEU 314 Cb 0.12 -0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.48 3hgj s LEU 314 CO 0.88 0.03 0.13 -0.69 -1.32 0.00 0.00 176.35 175.38 3hgj s VAL 315 N 0.17 4.77 -0.15 1.68 1.01 0.15 -1.39 120.40 126.63 3hgj s VAL 315 Ca -0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 3hgj s VAL 315 Cb -0.05 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3hgj s VAL 315 CO -0.00 0.27 0.14 -0.76 0.00 0.00 0.00 175.10 174.75 3hgj s LEU 316 N 1.68 4.32 -0.11 3.92 1.02 0.23 0.23 118.68 129.96 3hgj s LEU 316 Ca 0.06 0.38 0.02 0.00 0.02 0.00 0.00 54.13 54.61 3hgj s LEU 316 Cb -0.16 -2.09 -0.01 0.00 0.02 0.00 0.00 46.19 43.95 3hgj s LEU 316 CO 0.07 0.31 -0.18 -0.76 0.02 0.00 0.00 176.35 175.81 3hgj s LEU 317 N -0.44 2.44 0.00 1.79 1.43 0.23 -4.45 118.68 119.67 3hgj s LEU 317 Ca 0.12 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3hgj s LEU 317 Cb -0.12 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.58 3hgj s LEU 317 CO 0.02 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.38 3hgj n GLY 318 N 3.46 0.29 0.34 -3.19 0.00 -1.26 -0.65 105.19 104.18 3hgj n GLY 318 Ca -0.18 0.00 0.13 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 0.19 -0.06 1.61 3.08 -1.97 -1.92 114.38 115.32 3hgj h ARG 319 Ca 0.00 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 3hgj h ARG 319 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3hgj h ARG 319 CO 0.00 0.13 -0.26 -0.24 -1.07 0.00 0.00 179.97 178.52 3hgj h VAL 320 N 0.20 1.22 0.00 2.04 3.04 -1.90 -0.77 116.25 120.07 3hgj h VAL 320 Ca 0.20 -1.01 0.00 0.00 -1.01 0.00 0.00 66.70 64.88 3hgj h VAL 320 Cb 0.55 1.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.29 3hgj h VAL 320 CO -0.03 0.30 0.00 0.18 -1.01 0.00 0.00 177.57 177.00 3hgj n LEU 321 N -4.19 0.00 0.11 3.16 4.77 -0.73 0.35 117.00 120.47 3hgj n LEU 321 Ca -0.02 0.40 -0.22 0.00 -0.03 0.00 0.00 56.01 56.15 3hgj n LEU 321 Cb 0.34 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 40.87 3hgj n LEU 321 CO 0.38 -0.02 -0.30 -0.07 -1.33 0.00 0.00 177.39 176.05 3hgj h LEU 322 N 0.00 0.67 0.00 2.23 3.38 -1.12 -3.33 115.31 117.14 3hgj h LEU 322 Ca 0.00 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.17 3hgj h LEU 322 Cb 0.38 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hgj h LEU 322 CO 0.00 1.65 -1.55 -2.11 0.09 0.00 0.00 178.44 176.52 3hgj n ARG 323 N -3.62 0.49 -3.19 1.13 1.85 -1.06 -4.67 116.66 107.58 3hgj n ARG 323 Ca -0.18 -0.09 -0.24 0.00 -1.00 0.00 0.00 57.85 56.34 3hgj n ARG 323 Cb 1.08 -1.57 -0.07 0.00 -1.05 0.00 0.00 32.46 30.85 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 -2.14 0.12 0.22 2.89 -0.08 0.16 -4.99 116.55 112.73 3hgj n ASP 324 Ca -0.01 -2.70 0.15 0.00 -1.51 0.00 0.00 54.79 50.72 3hgj n ASP 324 Cb 0.51 -0.60 0.55 0.00 2.34 0.00 0.00 41.12 43.91 3hgj n ASP 324 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hgj h PRO 325 N 4.01 0.00 -0.52 -0.67 0.13 -1.75 -0.02 132.00 133.18 3hgj h PRO 325 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 3hgj h PRO 325 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 3hgj h PRO 325 CO 0.46 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.89 3hgj n TYR 326 N -2.81 0.76 -0.30 1.56 4.02 -1.26 -4.34 117.16 114.78 3hgj n TYR 326 Ca 0.02 -0.33 0.05 0.00 -0.01 0.00 0.00 57.90 57.63 3hgj n TYR 326 Cb 0.32 -0.08 0.12 0.00 -0.02 0.00 0.00 39.34 39.68 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 0.72 0.31 0.26 -0.72 7.35 -0.02 -1.11 117.46 124.25 3hgj n PHE 327 Ca 0.16 1.01 0.13 0.00 -0.76 0.00 0.00 57.45 57.98 3hgj n PHE 327 Cb 0.49 -0.99 0.68 0.00 0.35 0.00 0.00 39.48 40.00 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 -0.19 -7.13 0.11 -1.80 0.17 132.00 123.16 3hgj h PRO 328 Ca 0.40 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 66.30 3hgj h PRO 328 Cb 0.63 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.75 3hgj h PRO 328 CO -0.85 0.14 -0.72 -0.07 -0.21 0.00 0.00 178.00 176.28 3hgj h LEU 329 N 0.00 0.95 -0.22 2.35 3.38 -0.98 -1.48 115.31 119.31 3hgj h LEU 329 Ca -0.00 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3hgj h LEU 329 Cb 0.44 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3hgj h LEU 329 CO 0.02 1.40 0.14 -0.09 0.09 0.00 0.00 178.44 179.99 3hgj h ARG 330 N 0.57 0.30 -0.43 1.13 2.43 -1.34 -3.09 114.38 113.95 3hgj h ARG 330 Ca -0.04 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.20 3hgj h ARG 330 Cb 1.35 -0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 30.75 3hgj h ARG 330 CO 0.15 0.23 -0.16 0.00 -1.51 0.00 0.00 179.97 178.68 3hgj h ALA 331 N 1.06 0.20 -0.71 2.80 0.00 -0.55 -1.41 119.26 120.65 3hgj h ALA 331 Ca 0.08 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.22 3hgj h ALA 331 Cb -0.00 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 3hgj h ALA 331 CO -0.02 -0.50 0.40 0.00 0.00 0.00 0.00 179.25 179.13 3hgj h ALA 332 N 1.31 0.96 -0.53 0.00 0.00 -1.24 -1.71 119.26 118.06 3hgj h ALA 332 Ca 0.21 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3hgj h ALA 332 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3hgj h ALA 332 CO -0.48 0.06 0.04 -0.22 0.00 0.00 0.00 179.25 178.65 3hgj h LYS 333 N 0.71 0.86 0.00 0.00 3.64 -1.31 0.43 116.57 120.91 3hgj h LYS 333 Ca 0.32 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3hgj h LYS 333 Cb 0.23 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3hgj h LYS 333 CO -0.20 0.84 0.00 0.00 -2.27 0.00 0.00 179.45 177.82 3hgj n ALA 334 N -2.47 1.91 -1.09 5.00 0.00 -0.60 -2.27 120.51 120.99 3hgj n ALA 334 Ca 0.03 0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.53 3hgj n ALA 334 Cb 0.29 -1.42 0.27 0.00 0.00 0.00 0.00 19.45 18.59 3hgj n ALA 334 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hgj n LEU 335 N -2.23 4.67 -0.91 0.00 4.77 -0.53 -4.92 117.00 117.86 3hgj n LEU 335 Ca 0.04 -3.21 -0.11 0.00 -0.03 0.00 0.00 56.01 52.69 3hgj n LEU 335 Cb 0.31 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 3hgj n LEU 335 CO 0.24 0.82 -0.11 0.61 -1.33 0.00 0.00 177.39 177.62 3hgj n GLY 336 N -0.46 1.11 3.67 -0.72 0.00 -0.96 -4.66 105.19 103.17 3hgj n GLY 336 Ca 0.29 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.43 4.14 -0.22 1.61 1.01 0.14 -5.00 120.40 119.65 3hgj s VAL 337 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 3hgj s VAL 337 Cb 0.00 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 3hgj s VAL 337 CO 0.00 0.49 1.49 0.00 0.00 0.00 0.00 175.10 177.08 3hgj s ALA 338 N -0.97 3.38 0.53 5.51 0.00 -1.26 -3.26 121.76 125.69 3hgj s ALA 338 Ca 0.16 0.41 -0.19 0.00 0.00 0.00 0.00 51.96 52.35 3hgj s ALA 338 Cb -0.11 -3.79 -0.07 0.00 0.00 0.00 0.00 23.12 19.15 3hgj s ALA 338 CO 0.06 -1.75 1.05 -1.25 0.00 0.00 0.00 175.76 173.88 3hgj s PRO 339 N 4.32 3.59 -1.11 0.00 0.04 -1.26 -4.94 135.00 135.64 3hgj s PRO 339 Ca 0.65 1.34 -0.20 0.00 0.04 0.00 0.00 61.00 62.83 3hgj s PRO 339 Cb -0.23 -2.06 0.08 0.00 0.04 0.00 0.00 34.50 32.32 3hgj s PRO 339 CO 0.26 -0.61 1.50 -2.00 0.04 0.00 0.00 177.00 176.19 3hgj s GLU 340 N -3.52 3.76 -0.13 4.56 2.12 -1.26 -4.99 118.70 119.23 3hgj s GLU 340 Ca 0.67 -1.59 -0.07 0.00 0.36 0.00 0.00 54.97 54.33 3hgj s GLU 340 Cb -0.17 -5.34 -0.04 0.00 0.26 0.00 0.00 34.13 28.84 3hgj s GLU 340 CO 0.26 -2.14 0.12 0.08 -0.54 0.00 0.00 175.26 173.05 3hgj s VAL 341 N 4.20 5.37 0.39 3.70 1.01 -1.26 -4.90 120.40 128.91 3hgj s VAL 341 Ca 0.47 0.16 -0.28 0.00 0.00 0.00 0.00 61.98 62.33 3hgj s VAL 341 Cb 0.00 -3.35 -0.10 0.00 0.00 0.00 0.00 36.38 32.93 3hgj s VAL 341 CO -0.03 0.59 1.47 -2.84 0.00 0.00 0.00 175.10 174.28 3hgj s PRO 342 N -0.76 4.04 0.39 2.72 0.02 -1.26 -4.86 135.00 135.29 3hgj s PRO 342 Ca 0.13 2.54 0.07 0.00 0.02 0.00 0.00 61.00 63.76 3hgj s PRO 342 Cb -0.12 -2.92 0.80 0.00 0.02 0.00 0.00 34.50 32.28 3hgj s PRO 342 CO 0.03 -0.57 2.01 -1.35 -0.33 0.00 0.00 177.00 176.79 3hgj h PRO 343 N 2.89 0.64 -0.42 5.54 0.11 -2.01 0.44 132.00 139.20 3hgj h PRO 343 Ca -0.51 -0.04 0.12 0.00 0.11 0.00 0.00 66.00 65.68 3hgj h PRO 343 Cb 1.24 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3hgj h PRO 343 CO 0.64 0.42 0.42 1.96 -0.21 0.00 0.00 178.00 181.23 3hgj h GLN 344 N 0.66 0.00 -0.57 1.05 7.50 -2.06 -1.84 115.11 119.85 3hgj h GLN 344 Ca 0.23 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.38 3hgj h GLN 344 Cb 0.10 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.63 3hgj h GLN 344 CO -0.06 0.00 0.00 0.66 -1.50 0.00 0.00 178.83 177.93 3hgj n TYR 345 N -3.83 0.85 -0.33 2.96 4.01 0.15 -4.72 117.16 116.26 3hgj n TYR 345 Ca 0.07 -0.53 -0.00 0.00 -0.16 0.00 0.00 57.90 57.28 3hgj n TYR 345 Cb 0.60 -0.05 0.13 0.00 -0.31 0.00 0.00 39.34 39.71 3hgj n TYR 345 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 3hgj h GLN 346 N 3.35 1.05 0.00 -0.72 4.20 -1.17 -1.31 115.11 120.50 3hgj h GLN 346 Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3hgj h GLN 346 Cb 0.97 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.51 3hgj h GLN 346 CO 0.03 0.69 0.00 0.54 -0.67 0.00 0.00 178.83 179.43 3hgj n ARG 347 N -4.55 0.19 0.00 1.46 5.12 -1.26 -2.71 116.66 114.90 3hgj n ARG 347 Ca 0.12 0.16 0.10 0.00 -1.93 0.00 0.00 57.85 56.30 3hgj n ARG 347 Cb 0.12 -1.50 0.05 0.00 -1.16 0.00 0.00 32.46 29.97 3hgj n ARG 347 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hgj n GLY 348 N -0.22 0.38 0.00 -0.13 0.00 -0.49 -5.27 105.19 99.45 3hgj n GLY 348 Ca 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.50 3hgj n GLY 348 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01