#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 -1.09 0.00 3.38 -1.95 -2.69 115.31 113.56 3hgj h LEU 3 Ca 0.00 -0.34 0.25 0.00 0.09 0.00 0.00 57.88 57.88 3hgj h LEU 3 Cb 0.00 -0.18 -0.12 0.00 0.09 0.00 0.00 40.66 40.46 3hgj h LEU 3 CO 0.00 1.06 0.62 0.25 0.09 0.00 0.00 178.44 180.46 3hgj h LEU 4 N 0.40 0.63 -3.89 1.67 5.85 -1.90 -0.45 115.31 117.63 3hgj h LEU 4 Ca -0.00 0.12 -0.45 0.00 0.84 0.00 0.00 57.88 58.39 3hgj h LEU 4 Cb 1.15 0.02 -0.27 0.00 0.37 0.00 0.00 40.66 41.93 3hgj h LEU 4 CO 0.11 0.11 0.53 0.49 -0.34 0.00 0.00 178.44 179.34 3hgj n PHE 5 N -4.82 2.75 -4.20 1.25 3.72 -1.03 -0.46 117.46 114.68 3hgj n PHE 5 Ca 0.26 -1.78 -0.33 0.00 -0.05 0.00 0.00 57.45 55.56 3hgj n PHE 5 Cb 0.77 -0.87 -0.08 0.00 -0.94 0.00 0.00 39.48 38.36 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 -3.28 4.45 0.63 4.37 -4.23 -0.18 -4.87 115.64 112.54 3hgj s THR 6 Ca 0.55 -0.47 -0.18 0.00 -1.18 0.00 0.00 61.69 60.41 3hgj s THR 6 Cb 0.47 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 71.29 3hgj s THR 6 CO 0.09 0.39 1.29 -2.84 -0.54 0.00 0.00 174.62 173.02 3hgj s PRO 7 N -1.56 2.63 -0.17 3.99 0.02 -1.21 -3.96 135.00 134.74 3hgj s PRO 7 Ca 0.20 2.06 0.01 0.00 0.02 0.00 0.00 61.00 63.29 3hgj s PRO 7 Cb -0.12 -1.89 0.01 0.00 0.02 0.00 0.00 34.50 32.52 3hgj s PRO 7 CO 0.11 -1.53 -0.17 -1.17 -0.33 0.00 0.00 177.00 173.90 3hgj s LEU 8 N -4.27 2.32 -0.27 -5.54 2.96 -0.24 -4.94 118.68 108.70 3hgj s LEU 8 Ca 0.81 -0.55 -0.18 0.00 -0.22 0.00 0.00 54.13 53.99 3hgj s LEU 8 Cb -0.37 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 3hgj s LEU 8 CO 0.40 0.04 0.51 -1.61 -1.32 0.00 0.00 176.35 174.37 3hgj s GLU 9 N 1.05 4.02 -0.37 1.98 8.01 -1.26 -1.62 118.70 130.50 3hgj s GLU 9 Ca -0.01 0.25 0.03 0.00 0.01 0.00 0.00 54.97 55.25 3hgj s GLU 9 Cb -0.14 -3.67 0.11 0.00 -4.31 0.00 0.00 34.13 26.12 3hgj s GLU 9 CO -0.05 -0.38 0.12 -0.51 0.01 0.00 0.00 175.26 174.45 3hgj s LEU 10 N 2.31 3.79 0.00 1.80 1.43 0.55 -4.98 118.68 123.58 3hgj s LEU 10 Ca 0.21 -2.23 0.00 0.00 -1.03 0.00 0.00 54.13 51.08 3hgj s LEU 10 Cb -0.16 -1.36 0.00 0.00 0.03 0.00 0.00 46.19 44.70 3hgj s LEU 10 CO 0.10 -0.35 0.00 0.61 0.23 0.00 0.00 176.35 176.94 3hgj n GLY 11 N 4.13 3.26 0.38 -3.19 0.00 -1.26 -0.88 105.19 107.62 3hgj n GLY 11 Ca 0.03 0.26 0.14 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 -0.19 3.44 -0.02 0.00 0.11 -4.89 105.19 103.64 3hgj n GLY 12 Ca 0.00 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.91 2.66 -0.23 0.99 2.96 -0.06 -4.99 118.68 118.11 3hgj s LEU 13 Ca 0.38 -0.25 -0.05 0.00 -0.22 0.00 0.00 54.13 54.00 3hgj s LEU 13 Cb 0.20 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 45.33 3hgj s LEU 13 CO 0.32 0.31 0.01 -0.60 -1.32 0.00 0.00 176.35 175.07 3hgj s ARG 14 N -0.53 3.52 -0.04 1.98 3.52 -1.26 -0.33 118.95 125.80 3hgj s ARG 14 Ca 0.07 -0.55 -0.23 0.00 -0.13 0.00 0.00 55.73 54.89 3hgj s ARG 14 Cb -0.12 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.09 3hgj s ARG 14 CO 0.01 -0.16 0.68 -0.51 -0.81 0.00 0.00 175.30 174.51 3hgj s LEU 15 N 1.46 4.35 0.52 -0.88 1.43 -0.64 -4.95 118.68 119.98 3hgj s LEU 15 Ca 0.05 1.21 0.31 0.00 -1.03 0.00 0.00 54.13 54.67 3hgj s LEU 15 Cb -0.15 -3.06 1.13 0.00 0.03 0.00 0.00 46.19 44.15 3hgj s LEU 15 CO 0.00 -0.05 1.90 0.07 0.23 0.00 0.00 176.35 178.50 3hgj h LYS 16 N 6.38 0.00 0.00 1.70 2.10 -1.88 -0.63 116.57 124.24 3hgj h LYS 16 Ca -0.42 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.06 3hgj h LYS 16 Cb 1.20 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.49 3hgj h LYS 16 CO 0.74 0.02 -0.07 0.27 -2.00 0.00 0.00 179.45 178.41 3hgj n ASN 17 N -3.12 -0.94 -1.38 7.07 0.23 -1.26 -3.36 115.26 112.50 3hgj n ASN 17 Ca 0.01 -2.21 0.10 0.00 -0.53 0.00 0.00 54.58 51.95 3hgj n ASN 17 Cb 0.36 1.73 0.32 0.00 -2.08 0.00 0.00 39.78 40.11 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 -0.37 3.27 -3.57 -3.83 5.12 0.40 -4.49 116.66 113.18 3hgj n ARG 18 Ca -0.00 -2.73 -0.37 0.00 -1.93 0.00 0.00 57.85 52.82 3hgj n ARG 18 Cb 0.38 -1.72 -0.06 0.00 -1.16 0.00 0.00 32.46 29.90 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 -1.50 4.34 -0.02 0.55 1.43 -1.26 -0.50 118.68 121.72 3hgj s LEU 19 Ca 0.47 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 54.25 3hgj s LEU 19 Cb 0.28 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3hgj s LEU 19 CO 0.26 0.21 -0.07 0.00 0.23 0.00 0.00 176.35 176.98 3hgj s ALA 20 N -0.23 0.70 -0.25 4.21 0.00 -0.45 -1.50 121.76 124.23 3hgj s ALA 20 Ca 0.19 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.58 3hgj s ALA 20 Cb -0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3hgj s ALA 20 CO 0.07 0.13 1.55 1.41 0.00 0.00 0.00 175.76 178.91 3hgj s MET 21 N 0.10 3.78 0.52 0.00 1.75 0.17 -0.58 119.30 125.05 3hgj s MET 21 Ca -0.01 1.52 -0.21 0.00 -1.25 0.00 0.00 55.69 55.73 3hgj s MET 21 Cb -0.06 -4.01 -0.06 0.00 2.84 0.00 0.00 34.83 33.54 3hgj s MET 21 CO 0.00 -1.30 1.25 0.45 -0.65 0.00 0.00 175.02 174.76 3hgj s SER 22 N 4.01 5.60 0.16 1.11 0.15 0.25 -1.66 113.70 123.32 3hgj s SER 22 Ca 0.68 2.50 -0.31 0.00 0.70 0.00 0.00 55.95 59.51 3hgj s SER 22 Cb -0.22 -2.61 -0.11 0.00 -1.71 0.00 0.00 66.02 61.36 3hgj s SER 22 CO 0.28 -1.32 1.80 -2.16 1.20 0.00 0.00 173.24 173.04 3hgj s PRO 23 N -2.93 4.13 -0.28 5.44 0.04 -1.19 -4.79 135.00 135.42 3hgj s PRO 23 Ca 0.70 2.62 -0.04 0.00 0.04 0.00 0.00 61.00 64.32 3hgj s PRO 23 Cb -0.33 -3.41 0.10 0.00 0.04 0.00 0.00 34.50 30.90 3hgj s PRO 23 CO 0.39 -0.82 0.14 -1.64 0.04 0.00 0.00 177.00 175.12 3hgj s MET 24 N 2.19 0.19 0.02 4.56 -1.94 -1.26 -4.83 119.30 118.23 3hgj s MET 24 Ca 0.79 -0.43 -0.39 0.00 -1.71 0.00 0.00 55.69 53.95 3hgj s MET 24 Cb -0.48 -1.18 -0.19 0.00 2.01 0.00 0.00 34.83 34.99 3hgj s MET 24 CO 0.35 -0.98 1.15 0.00 -0.01 0.00 0.00 175.02 175.53 3hgj n GLN 26 N 1.80 0.40 -3.92 0.00 1.13 -1.26 -5.03 117.38 110.50 3hgj n GLN 26 Ca 0.20 -0.10 -0.26 0.00 -1.94 0.00 0.00 57.00 54.89 3hgj n GLN 26 Cb 0.11 -1.53 -0.00 0.00 0.11 0.00 0.00 30.24 28.93 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 -1.99 -1.82 -1.39 1.08 4.01 -1.26 -4.86 117.16 110.94 3hgj n TYR 27 Ca -0.01 0.80 0.00 0.00 -0.16 0.00 0.00 57.90 58.53 3hgj n TYR 27 Cb 0.48 -3.85 0.00 0.00 -0.31 0.00 0.00 39.34 35.66 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 -2.94 0.00 -4.77 7.72 7.64 -0.87 -4.86 113.62 115.53 3hgj n SER 28 Ca -0.21 -1.23 -0.30 0.00 1.01 0.00 0.00 58.87 58.14 3hgj n SER 28 Cb 0.64 -0.05 0.12 0.00 -1.01 0.00 0.00 64.21 63.91 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 0.00 1.91 0.78 -0.43 0.00 -0.40 -4.52 121.76 119.10 3hgj s ALA 29 Ca 0.00 -0.27 -0.11 0.00 0.00 0.00 0.00 51.96 51.58 3hgj s ALA 29 Cb 0.00 -3.10 0.06 0.00 0.00 0.00 0.00 23.12 20.08 3hgj s ALA 29 CO 0.00 -2.06 1.08 0.95 0.00 0.00 0.00 175.76 175.73 3hgj s THR 30 N -3.13 3.33 0.53 0.00 -4.23 -1.00 -4.66 115.64 106.47 3hgj s THR 30 Ca 0.62 0.43 0.33 0.00 -1.18 0.00 0.00 61.69 61.89 3hgj s THR 30 Cb -0.15 -3.00 0.51 0.00 1.34 0.00 0.00 72.50 71.19 3hgj s THR 30 CO 0.55 -0.56 1.85 -0.07 -0.54 0.00 0.00 174.62 175.84 3hgj h LEU 31 N -1.11 0.04 -0.80 4.79 3.38 -1.94 0.45 115.31 120.11 3hgj h LEU 31 Ca -0.45 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3hgj h LEU 31 Cb 1.24 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3hgj h LEU 31 CO 0.54 0.01 0.00 -0.62 0.09 0.00 0.00 178.44 178.46 3hgj n GLU 32 N -4.26 1.51 -1.30 1.13 -0.58 -1.26 -4.86 120.64 111.02 3hgj n GLU 32 Ca 0.22 -0.79 0.00 0.00 -0.42 0.00 0.00 57.16 56.17 3hgj n GLU 32 Cb 1.08 -1.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.78 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 0.85 0.38 3.81 0.62 0.00 0.16 -4.81 105.19 106.20 3hgj n GLY 33 Ca 0.07 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.60 4.24 0.26 1.61 2.02 -1.24 -2.04 118.70 120.95 3hgj s GLU 34 Ca 0.00 0.82 -0.31 0.00 0.02 0.00 0.00 54.97 55.50 3hgj s GLU 34 Cb 0.00 -3.00 -0.13 0.00 0.10 0.00 0.00 34.13 31.10 3hgj s GLU 34 CO 0.00 0.48 1.41 0.28 0.02 0.00 0.00 175.26 177.45 3hgj n VAL 35 N 1.03 1.11 -4.66 2.63 0.31 -1.26 -2.39 118.33 115.11 3hgj n VAL 35 Ca -0.05 -0.28 -0.28 0.00 -0.01 0.00 0.00 64.34 63.72 3hgj n VAL 35 Cb 0.51 -1.54 -0.06 0.00 -0.91 0.00 0.00 33.84 31.84 3hgj n VAL 35 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3hgj n THR 36 N 1.70 0.00 -0.00 2.52 -2.24 -1.26 -4.86 114.28 110.13 3hgj n THR 36 Ca 0.10 -2.09 0.22 0.00 -2.27 0.00 0.00 64.05 60.00 3hgj n THR 36 Cb 0.33 0.41 0.72 0.00 -2.10 0.00 0.00 70.33 69.69 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 1.06 0.00 -0.09 3.42 5.19 -1.95 -2.12 116.42 121.93 3hgj h ASP 37 Ca -0.37 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.03 3hgj h ASP 37 Cb 1.11 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.62 3hgj h ASP 37 CO 0.61 0.00 -0.01 -0.25 -3.12 0.00 0.00 179.24 176.48 3hgj h TRP 38 N 0.00 0.17 -0.77 4.55 2.91 -1.95 -2.13 115.95 118.73 3hgj h TRP 38 Ca 0.26 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.23 3hgj h TRP 38 Cb 1.13 -0.04 -0.04 0.00 -0.51 0.00 0.00 29.16 29.70 3hgj h TRP 38 CO 0.00 0.43 0.41 0.45 -1.03 0.00 0.00 178.44 178.70 3hgj h HIS 39 N -0.14 1.08 0.00 2.65 -0.00 -1.77 0.44 115.15 117.42 3hgj h HIS 39 Ca 0.02 -0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.35 3hgj h HIS 39 Cb 0.37 -0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 27.43 3hgj h HIS 39 CO 0.04 0.77 -0.01 -0.07 -0.00 0.00 0.00 177.93 178.66 3hgj h LEU 40 N 1.08 0.00 0.04 2.43 3.38 -1.18 -1.83 115.31 119.23 3hgj h LEU 40 Ca 0.27 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.88 3hgj h LEU 40 Cb 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3hgj h LEU 40 CO -0.04 0.01 -2.08 -0.11 0.09 0.00 0.00 178.44 176.31 3hgj n LEU 41 N -3.24 2.42 -0.07 1.67 7.94 -0.82 -4.12 117.00 120.77 3hgj n LEU 41 Ca -0.02 0.19 -0.08 0.00 -1.11 0.00 0.00 56.01 54.99 3hgj n LEU 41 Cb 0.13 -0.97 -0.01 0.00 0.53 0.00 0.00 43.42 43.10 3hgj n LEU 41 CO 0.23 0.69 0.92 -0.74 -1.11 0.00 0.00 177.39 177.38 3hgj h HIS 42 N -0.41 0.16 0.12 1.96 2.76 -0.65 -3.05 115.15 116.04 3hgj h HIS 42 Ca -0.51 0.01 -0.19 0.00 -2.20 0.00 0.00 60.37 57.49 3hgj h HIS 42 Cb 1.75 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 30.69 3hgj h HIS 42 CO 0.03 0.07 -0.86 1.88 -1.30 0.00 0.00 177.93 177.76 3hgj h TYR 43 N 0.21 0.45 0.00 5.26 0.05 -1.56 -3.25 116.97 118.13 3hgj h TYR 43 Ca 0.12 -0.33 -0.04 0.00 0.05 0.00 0.00 58.73 58.53 3hgj h TYR 43 Cb 0.09 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.81 3hgj h TYR 43 CO -0.13 1.33 -0.19 -1.35 -1.05 0.00 0.00 178.16 176.77 3hgj h PRO 44 N -0.44 0.00 -0.62 4.88 0.11 -1.71 -2.01 132.00 132.20 3hgj h PRO 44 Ca -0.16 0.00 0.12 0.00 0.11 0.00 0.00 66.00 66.07 3hgj h PRO 44 Cb 1.59 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.61 3hgj h PRO 44 CO 0.11 0.19 0.11 1.15 -0.21 0.00 0.00 178.00 179.35 3hgj h THR 45 N 0.00 0.60 0.00 -1.15 2.02 -1.57 0.94 112.91 113.76 3hgj h THR 45 Ca -0.00 -0.08 -0.09 0.00 0.77 0.00 0.00 66.41 67.01 3hgj h THR 45 Cb 0.45 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 3hgj h THR 45 CO 0.02 0.04 -0.43 0.03 0.37 0.00 0.00 175.52 175.56 3hgj h ARG 46 N 0.24 0.00 -0.10 6.66 -0.00 -1.44 -1.44 114.38 118.30 3hgj h ARG 46 Ca 0.33 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.78 3hgj h ARG 46 Cb 0.50 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.47 3hgj h ARG 46 CO -0.44 0.43 -0.06 0.00 0.00 0.00 0.00 179.97 179.90 3hgj h ALA 47 N 1.57 0.14 -0.10 0.04 0.00 -0.89 -1.87 119.26 118.15 3hgj h ALA 47 Ca -0.00 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3hgj h ALA 47 Cb 1.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3hgj h ALA 47 CO 0.06 -0.07 0.07 -0.07 0.00 0.00 0.00 179.25 179.23 3hgj h LEU 48 N -0.17 0.10 -0.41 0.00 3.38 -0.81 -2.26 115.31 115.13 3hgj h LEU 48 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hgj h LEU 48 Cb 0.54 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hgj h LEU 48 CO 0.02 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.23 3hgj n GLY 49 N -1.53 -0.93 0.00 0.83 0.00 -0.55 -4.80 105.19 98.21 3hgj n GLY 49 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.55 0.90 3.77 -0.02 0.00 -0.85 -2.37 105.19 106.06 3hgj n GLY 50 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3hgj n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hgj s VAL 51 N -2.00 2.88 -0.17 1.61 0.11 -1.23 -4.90 120.40 116.70 3hgj s VAL 51 Ca 0.00 0.81 0.15 0.00 -2.93 0.00 0.00 61.98 60.01 3hgj s VAL 51 Cb 0.00 -3.48 0.07 0.00 -1.53 0.00 0.00 36.38 31.44 3hgj s VAL 51 CO 0.00 0.13 1.44 1.23 -3.33 0.00 0.00 175.10 174.57 3hgj h GLY 52 N 2.92 0.00 -6.39 6.54 0.00 -1.55 -3.39 103.07 101.20 3hgj h GLY 52 Ca -0.49 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.55 3hgj h GLY 52 CO 0.64 0.00 -0.73 -2.27 0.00 0.00 0.00 176.54 174.18 3hgj s LEU 53 N -6.44 1.19 -0.21 3.11 2.96 -1.13 -0.96 118.68 117.21 3hgj s LEU 53 Ca 0.04 0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.94 3hgj s LEU 53 Cb 0.07 -0.07 -0.01 0.00 0.50 0.00 0.00 46.19 46.68 3hgj s LEU 53 CO 0.74 -0.11 -0.03 -0.63 -1.32 0.00 0.00 176.35 175.00 3hgj s ILE 54 N 0.94 3.54 -0.46 6.68 1.01 -0.58 -0.66 121.20 131.68 3hgj s ILE 54 Ca -0.08 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 3hgj s ILE 54 Cb -0.11 -2.60 0.03 0.00 0.01 0.00 0.00 42.46 39.79 3hgj s ILE 54 CO -0.03 0.43 0.63 -0.76 0.00 0.00 0.00 174.94 175.21 3hgj s LEU 55 N 1.26 4.62 0.37 2.97 1.43 -0.66 0.08 118.68 128.75 3hgj s LEU 55 Ca 0.03 -0.50 -0.28 0.00 -1.03 0.00 0.00 54.13 52.35 3hgj s LEU 55 Cb -0.14 -2.63 -0.11 0.00 0.03 0.00 0.00 46.19 43.33 3hgj s LEU 55 CO -0.01 -0.81 1.45 0.52 0.23 0.00 0.00 176.35 177.73 3hgj n VAL 56 N 5.77 1.99 -0.93 -1.59 0.31 -0.19 -3.19 118.33 120.51 3hgj n VAL 56 Ca -0.03 -0.50 -0.35 0.00 -0.01 0.00 0.00 64.34 63.45 3hgj n VAL 56 Cb 0.47 -1.89 0.07 0.00 -0.91 0.00 0.00 33.84 31.58 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 0.47 -0.10 -1.70 5.55 0.28 -1.26 -1.46 120.64 122.42 3hgj n GLU 57 Ca 0.02 -0.01 -0.64 0.00 -0.16 0.00 0.00 57.16 56.36 3hgj n GLU 57 Cb 0.38 -1.31 -0.09 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 -2.87 -1.45 -4.04 -1.84 0.00 -1.26 -4.15 120.51 104.89 3hgj n ALA 58 Ca 0.01 0.49 -0.32 0.00 0.00 0.00 0.00 53.44 53.63 3hgj n ALA 58 Cb 0.55 -1.96 -0.15 0.00 0.00 0.00 0.00 19.45 17.89 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 2.59 2.07 0.33 0.00 2.01 0.77 -4.42 115.64 118.99 3hgj s THR 59 Ca 1.01 -1.63 -0.28 0.00 0.31 0.00 0.00 61.69 61.09 3hgj s THR 59 Cb -1.37 -2.24 -0.10 0.00 0.01 0.00 0.00 72.50 68.81 3hgj s THR 59 CO 0.74 -0.09 1.28 0.00 -0.69 0.00 0.00 174.62 175.86 3hgj s ALA 60 N 1.13 3.46 -0.58 7.40 0.00 -0.66 -1.53 121.76 130.98 3hgj s ALA 60 Ca -0.07 1.22 0.24 0.00 0.00 0.00 0.00 51.96 53.35 3hgj s ALA 60 Cb -0.20 -3.46 0.33 0.00 0.00 0.00 0.00 23.12 19.79 3hgj s ALA 60 CO -0.06 -0.60 1.33 -0.39 0.00 0.00 0.00 175.76 176.04 3hgj h VAL 61 N 2.98 0.00 -3.91 0.00 -1.51 -1.57 -1.57 116.25 110.67 3hgj h VAL 61 Ca -0.49 -0.58 -0.10 0.00 -1.23 0.00 0.00 66.70 64.30 3hgj h VAL 61 Cb 1.23 1.20 -0.14 0.00 -2.13 0.00 0.00 31.29 31.45 3hgj h VAL 61 CO 0.65 0.00 -0.42 -1.83 -1.23 0.00 0.00 177.57 174.75 3hgj s GLU 62 N -3.19 0.87 0.36 5.19 -1.05 -1.26 -4.16 118.70 115.47 3hgj s GLU 62 Ca 0.06 -1.06 0.04 0.00 -0.15 0.00 0.00 54.97 53.86 3hgj s GLU 62 Cb 0.12 0.33 0.71 0.00 -0.44 0.00 0.00 34.13 34.85 3hgj s GLU 62 CO 0.72 -0.27 1.99 -1.35 0.95 0.00 0.00 175.26 177.30 3hgj h PRO 63 N 2.77 0.76 0.00 -4.83 0.11 -1.98 -1.68 132.00 127.15 3hgj h PRO 63 Ca -0.34 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3hgj h PRO 63 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3hgj h PRO 63 CO 0.56 0.50 0.00 1.28 -0.21 0.00 0.00 178.00 180.13 3hgj n LEU 64 N -4.46 0.48 -0.38 2.35 4.77 -1.26 -2.56 117.00 115.94 3hgj n LEU 64 Ca 0.08 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.75 3hgj n LEU 64 Cb 0.12 -0.46 0.51 0.00 -2.33 0.00 0.00 43.42 41.26 3hgj n LEU 64 CO 0.35 -0.27 0.85 0.61 -1.33 0.00 0.00 177.39 177.59 3hgj n GLY 65 N 0.74 -0.15 3.78 -0.72 0.00 -0.63 -4.60 105.19 103.61 3hgj n GLY 65 Ca 0.04 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.90 4.06 -0.02 1.61 0.52 -1.06 0.30 118.95 122.46 3hgj s ARG 66 Ca 0.35 1.51 -0.14 0.00 -0.52 0.00 0.00 55.73 56.93 3hgj s ARG 66 Cb 0.18 -2.45 -0.08 0.00 0.52 0.00 0.00 34.95 33.12 3hgj s ARG 66 CO 0.28 -0.23 0.67 0.82 0.02 0.00 0.00 175.30 176.86 3hgj h ILE 67 N 2.06 0.00 -1.97 1.52 2.04 -1.91 -1.88 117.51 117.36 3hgj h ILE 67 Ca -0.49 -0.44 -0.56 0.00 1.00 0.00 0.00 64.86 64.37 3hgj h ILE 67 Cb 1.22 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 37.21 3hgj h ILE 67 CO 0.62 0.00 -0.59 -0.94 0.00 0.00 0.00 178.15 177.24 3hgj s SER 68 N -4.41 4.49 0.11 1.72 1.04 -1.25 -0.41 113.70 114.98 3hgj s SER 68 Ca -0.07 -0.81 0.07 0.00 0.48 0.00 0.00 55.95 55.61 3hgj s SER 68 Cb 0.01 -0.69 0.37 0.00 0.10 0.00 0.00 66.02 65.80 3hgj s SER 68 CO 0.22 -0.21 1.17 -2.65 0.98 0.00 0.00 173.24 172.76 3hgj n PRO 69 N -1.03 0.04 -0.56 4.02 -0.02 -1.26 -2.57 135.00 133.62 3hgj n PRO 69 Ca -0.04 0.51 0.07 0.00 -2.02 0.00 0.00 63.50 62.02 3hgj n PRO 69 Cb 0.61 -1.69 0.16 0.00 -0.02 0.00 0.00 33.50 32.56 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 -1.71 0.00 -1.69 6.00 4.01 -1.26 -4.16 117.16 118.35 3hgj n TYR 70 Ca -0.00 -1.21 -0.33 0.00 -0.16 0.00 0.00 57.90 56.19 3hgj n TYR 70 Cb 0.06 -0.21 0.06 0.00 -0.31 0.00 0.00 39.34 38.94 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 -2.93 4.95 0.54 7.72 -0.00 -1.06 -1.27 116.67 124.61 3hgj s ASP 71 Ca 0.35 2.05 -0.21 0.00 -0.00 0.00 0.00 52.55 54.73 3hgj s ASP 71 Cb 0.33 -2.56 -0.05 0.00 -0.00 0.00 0.00 42.92 40.65 3hgj s ASP 71 CO -0.05 -1.74 1.30 -0.76 -0.00 0.00 0.00 175.17 173.92 3hgj s LEU 72 N -4.94 3.84 0.29 1.23 1.43 -1.26 -4.19 118.68 115.08 3hgj s LEU 72 Ca 0.68 2.63 0.03 0.00 -1.03 0.00 0.00 54.13 56.43 3hgj s LEU 72 Cb -0.22 -4.32 -0.06 0.00 0.03 0.00 0.00 46.19 41.62 3hgj s LEU 72 CO 0.42 -1.47 0.06 -0.83 0.23 0.00 0.00 176.35 174.76 3hgj s GLY 73 N -1.13 1.89 0.00 -3.19 0.00 -0.86 -1.65 107.32 102.37 3hgj s GLY 73 Ca 0.71 -1.95 0.07 0.00 0.00 0.00 0.00 44.72 43.55 3hgj s GLY 73 CO 0.43 -1.72 0.95 4.51 0.00 0.00 0.00 173.10 177.27 3hgj n ILE 74 N -0.57 0.00 1.22 0.90 3.06 -0.59 -4.80 119.36 118.57 3hgj n ILE 74 Ca -0.02 -0.27 0.14 0.00 -2.50 0.00 0.00 62.75 60.10 3hgj n ILE 74 Cb 0.66 0.54 0.56 0.00 0.54 0.00 0.00 39.64 41.94 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 0.13 0.00 -4.54 9.51 2.14 -1.26 -4.52 117.44 118.91 3hgj n TRP 75 Ca -0.02 0.00 -0.23 0.00 2.07 0.00 0.00 57.50 59.32 3hgj n TRP 75 Cb 0.78 -0.29 -0.14 0.00 -0.81 0.00 0.00 31.31 30.85 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 -2.73 1.98 0.50 -0.67 0.15 -1.26 -5.01 113.70 106.66 3hgj s SER 76 Ca 0.21 -0.44 0.24 0.00 0.70 0.00 0.00 55.95 56.66 3hgj s SER 76 Cb 0.19 -0.16 1.31 0.00 -1.71 0.00 0.00 66.02 65.65 3hgj s SER 76 CO 0.53 0.11 1.94 -0.08 1.20 0.00 0.00 173.24 176.94 3hgj h GLU 77 N 5.09 0.13 0.00 5.44 4.57 -2.01 0.12 114.58 127.92 3hgj h GLU 77 Ca -0.39 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 3hgj h GLU 77 Cb 1.17 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3hgj h GLU 77 CO 0.45 0.09 0.00 -0.25 -1.18 0.00 0.00 179.01 178.12 3hgj n ASP 78 N -4.39 0.00 0.00 1.04 8.00 -1.26 -1.89 116.55 118.05 3hgj n ASP 78 Ca 0.14 -0.11 0.14 0.00 0.71 0.00 0.00 54.79 55.67 3hgj n ASP 78 Cb 0.69 -0.22 0.62 0.00 -0.02 0.00 0.00 41.12 42.20 3hgj n ASP 78 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3hgj n HIS 79 N -1.22 0.00 0.03 1.24 8.25 0.43 -4.39 115.22 119.55 3hgj n HIS 79 Ca 0.10 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.37 3hgj n HIS 79 Cb 0.12 -0.48 -0.13 0.00 1.12 0.00 0.00 29.99 30.62 3hgj n HIS 79 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3hgj h LEU 80 N 0.00 0.47 -0.64 2.41 5.85 -1.53 -1.82 115.31 120.06 3hgj h LEU 80 Ca 0.00 -0.89 0.11 0.00 0.84 0.00 0.00 57.88 57.94 3hgj h LEU 80 Cb 0.48 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 3hgj h LEU 80 CO 0.00 1.32 0.21 -0.65 -0.34 0.00 0.00 178.44 178.98 3hgj h PRO 81 N -0.31 0.36 0.25 5.25 0.11 -1.79 0.38 132.00 136.24 3hgj h PRO 81 Ca -0.11 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 3hgj h PRO 81 Cb 1.51 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.54 3hgj h PRO 81 CO 0.14 0.24 -0.12 0.78 -0.21 0.00 0.00 178.00 178.82 3hgj h GLY 82 N 0.37 -0.35 0.86 -0.55 0.00 -1.81 -1.96 103.07 99.63 3hgj h GLY 82 Ca 0.33 0.13 0.04 0.00 0.00 0.00 0.00 47.33 47.83 3hgj h GLY 82 CO -0.36 -0.13 0.65 1.41 0.00 0.00 0.00 176.54 178.12 3hgj h LEU 83 N -0.55 1.08 -0.79 3.11 3.38 -1.10 -1.42 115.31 119.03 3hgj h LEU 83 Ca -0.03 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 3hgj h LEU 83 Cb 0.40 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3hgj h LEU 83 CO 0.06 0.73 0.03 0.50 0.09 0.00 0.00 178.44 179.85 3hgj h LYS 84 N 1.25 0.94 -0.09 1.13 3.64 -0.14 -2.24 116.57 121.06 3hgj h LYS 84 Ca 0.40 -0.26 -0.15 0.00 -1.27 0.00 0.00 60.65 59.36 3hgj h LYS 84 Cb 0.02 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3hgj h LYS 84 CO -0.13 0.91 -0.61 1.49 -2.27 0.00 0.00 179.45 178.84 3hgj h GLU 85 N 0.88 0.31 0.80 1.90 4.57 -0.65 -1.66 114.58 120.72 3hgj h GLU 85 Ca 0.17 -0.22 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 3hgj h GLU 85 Cb 0.47 0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.11 3hgj h GLU 85 CO 0.02 0.83 -0.38 1.25 -1.18 0.00 0.00 179.01 179.55 3hgj h LEU 86 N 0.23 -0.91 -0.76 1.64 5.85 -1.03 -0.53 115.31 119.81 3hgj h LEU 86 Ca -0.01 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.91 3hgj h LEU 86 Cb 1.13 0.23 -0.14 0.00 0.37 0.00 0.00 40.66 42.26 3hgj h LEU 86 CO 0.10 -0.62 -0.04 0.00 -0.34 0.00 0.00 178.44 177.54 3hgj h ALA 87 N -1.45 0.73 -0.41 1.25 0.00 -1.48 0.38 119.26 118.28 3hgj h ALA 87 Ca -0.11 0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3hgj h ALA 87 Cb 0.82 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 3hgj h ALA 87 CO 0.18 -0.43 0.22 -0.09 0.00 0.00 0.00 179.25 179.13 3hgj h ARG 88 N 0.07 0.43 -0.38 0.00 2.43 -1.16 0.87 114.38 116.64 3hgj h ARG 88 Ca 0.41 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.49 3hgj h ARG 88 Cb 0.70 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 3hgj h ARG 88 CO -0.70 0.28 -0.01 0.00 -1.51 0.00 0.00 179.97 178.03 3hgj h ARG 89 N 0.44 0.60 0.07 0.20 3.08 -0.21 0.19 114.38 118.75 3hgj h ARG 89 Ca 0.17 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hgj h ARG 89 Cb 0.06 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.03 3hgj h ARG 89 CO -0.11 0.63 -0.03 0.82 -1.07 0.00 0.00 179.97 180.21 3hgj h ILE 90 N 0.57 1.15 -0.52 2.04 2.04 -0.46 -1.57 117.51 120.75 3hgj h ILE 90 Ca 0.12 -0.77 0.07 0.00 1.00 0.00 0.00 64.86 65.28 3hgj h ILE 90 Cb 0.38 1.65 -0.06 0.00 -0.74 0.00 0.00 36.82 38.06 3hgj h ILE 90 CO 0.01 0.19 0.18 -0.09 0.00 0.00 0.00 178.15 178.45 3hgj h ARG 91 N -0.44 0.35 -0.37 2.37 2.43 -0.73 -2.01 114.38 115.98 3hgj h ARG 91 Ca -0.01 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3hgj h ARG 91 Cb 0.38 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3hgj h ARG 91 CO 0.01 0.23 0.13 1.49 -1.51 0.00 0.00 179.97 180.33 3hgj h GLU 92 N 0.36 0.53 -0.00 0.20 4.81 -0.45 -1.19 114.58 118.83 3hgj h GLU 92 Ca 0.25 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3hgj h GLU 92 Cb 0.29 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.57 3hgj h GLU 92 CO -0.26 0.46 -0.05 0.00 -0.73 0.00 0.00 179.01 178.42 3hgj n ALA 93 N -2.48 2.68 0.00 2.92 0.00 -0.61 -4.92 120.51 118.11 3hgj n ALA 93 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3hgj n ALA 93 Cb 0.15 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 1.20 1.05 3.87 0.00 0.00 -0.45 -3.21 105.19 107.65 3hgj n GLY 94 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.91 3.80 0.01 4.61 0.00 -1.06 -4.89 121.76 122.33 3hgj s ALA 95 Ca 0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 51.96 50.60 3hgj s ALA 95 Cb 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 3hgj s ALA 95 CO 0.00 0.60 1.21 0.08 0.00 0.00 0.00 175.76 177.66 3hgj s VAL 96 N -1.66 4.10 -0.21 0.00 1.01 -0.14 -3.51 120.40 120.00 3hgj s VAL 96 Ca 0.33 1.48 -0.27 0.00 0.00 0.00 0.00 61.98 63.52 3hgj s VAL 96 Cb -0.11 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 3hgj s VAL 96 CO 0.26 0.06 0.93 -2.16 0.00 0.00 0.00 175.10 174.19 3hgj s PRO 97 N 1.63 4.26 0.36 2.72 0.04 -1.26 -1.53 135.00 141.22 3hgj s PRO 97 Ca 0.58 1.17 0.09 0.00 0.04 0.00 0.00 61.00 62.87 3hgj s PRO 97 Cb -0.28 -3.62 -0.06 0.00 0.04 0.00 0.00 34.50 30.58 3hgj s PRO 97 CO 0.26 -0.51 0.00 0.20 0.04 0.00 0.00 177.00 177.00 3hgj s GLY 98 N 1.23 2.19 -0.04 0.56 0.00 0.11 -1.19 107.32 110.19 3hgj s GLY 98 Ca 0.40 -2.06 -0.05 0.00 0.00 0.00 0.00 44.72 43.01 3hgj s GLY 98 CO 0.09 -1.97 0.14 -1.50 0.00 0.00 0.00 173.10 169.86 3hgj s ILE 99 N -2.58 0.02 -0.32 0.90 2.07 -0.67 -1.02 121.20 119.61 3hgj s ILE 99 Ca 0.35 -0.21 -0.14 0.00 -1.41 0.00 0.00 60.65 59.25 3hgj s ILE 99 Cb 0.02 -0.27 -0.02 0.00 0.13 0.00 0.00 42.46 42.32 3hgj s ILE 99 CO 0.19 -0.11 0.29 -1.58 -1.91 0.00 0.00 174.94 171.82 3hgj s GLN 100 N -0.34 3.67 0.01 3.50 0.74 -0.54 -0.94 119.66 125.75 3hgj s GLN 100 Ca -0.04 -0.41 -0.20 0.00 0.05 0.00 0.00 55.36 54.75 3hgj s GLN 100 Cb -0.03 -3.76 -0.06 0.00 1.10 0.00 0.00 33.01 30.26 3hgj s GLN 100 CO 0.00 -0.40 0.59 -0.51 -0.55 0.00 0.00 175.29 174.42 3hgj s LEU 101 N 1.88 4.43 0.06 3.68 1.43 0.87 -0.16 118.68 130.88 3hgj s LEU 101 Ca 0.09 1.17 -0.05 0.00 -1.03 0.00 0.00 54.13 54.32 3hgj s LEU 101 Cb -0.17 -2.91 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 3hgj s LEU 101 CO 0.11 0.13 0.08 0.00 0.23 0.00 0.00 176.35 176.90 3hgj s ALA 102 N -0.33 0.10 -0.14 4.21 0.00 -0.58 -1.65 121.76 123.37 3hgj s ALA 102 Ca 0.31 -0.84 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 3hgj s ALA 102 Cb -0.18 0.35 0.07 0.00 0.00 0.00 0.00 23.12 23.35 3hgj s ALA 102 CO 0.17 -0.41 0.22 -1.58 0.00 0.00 0.00 175.76 174.16 3hgj s HIS 103 N -3.62 -0.30 -0.09 0.00 2.46 -1.26 -1.48 115.29 111.01 3hgj s HIS 103 Ca 0.04 0.63 0.31 0.00 0.47 0.00 0.00 55.06 56.50 3hgj s HIS 103 Cb 0.05 -0.21 1.21 0.00 -0.13 0.00 0.00 32.58 33.50 3hgj s HIS 103 CO -0.09 -0.40 1.90 0.00 -2.47 0.00 0.00 174.74 173.67 3hgj h ALA 104 N 8.32 1.00 -0.92 1.58 0.00 -0.43 0.13 119.26 128.95 3hgj h ALA 104 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3hgj h ALA 104 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hgj h ALA 104 CO 0.18 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.84 3hgj n GLY 105 N 0.11 3.51 0.00 0.00 0.00 -1.26 -1.35 105.19 106.20 3hgj n GLY 105 Ca 0.01 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 0.31 -0.06 1.61 1.85 0.14 -1.32 116.66 133.19 3hgj n ARG 106 Ca 0.00 0.09 0.09 0.00 -1.00 0.00 0.00 57.85 57.04 3hgj n ARG 106 Cb 0.00 -1.50 0.12 0.00 -1.05 0.00 0.00 32.46 30.03 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 -1.26 1.85 -1.13 2.89 5.02 -0.45 -4.62 118.16 120.47 3hgj n LYS 107 Ca 0.10 -1.79 -0.35 0.00 -2.02 0.00 0.00 58.31 54.24 3hgj n LYS 107 Cb 0.15 -1.38 0.08 0.00 -0.02 0.00 0.00 35.03 33.85 3hgj n LYS 107 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hgj n ALA 108 N 1.09 -2.19 -2.35 7.82 0.00 -0.43 -4.47 120.51 119.98 3hgj n ALA 108 Ca 0.13 -0.36 -0.06 0.00 0.00 0.00 0.00 53.44 53.15 3hgj n ALA 108 Cb 0.49 -1.76 0.03 0.00 0.00 0.00 0.00 19.45 18.21 3hgj n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgj n GLY 109 N 1.81 -0.19 3.30 0.00 0.00 -0.71 -4.87 105.19 104.54 3hgj n GLY 109 Ca 0.08 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.17 1.65 0.88 2.61 -4.23 0.45 -1.36 115.64 112.46 3hgj s THR 110 Ca 0.20 -1.89 -0.11 0.00 -1.18 0.00 0.00 61.69 58.71 3hgj s THR 110 Cb -0.03 -1.77 0.12 0.00 1.34 0.00 0.00 72.50 72.16 3hgj s THR 110 CO 0.36 -0.38 1.09 0.00 -0.54 0.00 0.00 174.62 175.15 3hgj s ALA 111 N -2.20 1.63 0.38 3.99 0.00 -0.53 -3.92 121.76 121.12 3hgj s ALA 111 Ca 0.14 0.09 -0.26 0.00 0.00 0.00 0.00 51.96 51.93 3hgj s ALA 111 Cb -0.05 -3.24 -0.11 0.00 0.00 0.00 0.00 23.12 19.72 3hgj s ALA 111 CO 0.05 -2.31 1.23 0.54 0.00 0.00 0.00 175.76 175.28 3hgj n ARG 112 N -3.87 1.91 -0.27 0.00 1.74 -1.26 -3.70 116.66 111.21 3hgj n ARG 112 Ca 0.08 0.68 0.06 0.00 -0.77 0.00 0.00 57.85 57.89 3hgj n ARG 112 Cb 0.54 -2.29 0.17 0.00 -1.02 0.00 0.00 32.46 29.85 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 2.19 0.09 -0.53 5.56 0.11 -1.93 0.32 132.00 137.81 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 1.30 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3hgj h PRO 113 CO 0.61 0.06 0.00 -2.67 -0.21 0.00 0.00 178.00 175.78 3hgj n TRP 114 N -5.37 0.26 -2.12 0.65 2.14 -1.26 -2.50 117.44 109.24 3hgj n TRP 114 Ca 0.14 -0.10 0.03 0.00 2.07 0.00 0.00 57.50 59.64 3hgj n TRP 114 Cb 0.49 -0.09 0.10 0.00 -0.81 0.00 0.00 31.31 31.01 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 -0.01 0.96 -0.21 -2.67 1.02 0.10 -4.98 120.64 114.85 3hgj n GLU 115 Ca 0.04 -2.75 0.00 0.00 -0.02 0.00 0.00 57.16 54.43 3hgj n GLU 115 Cb 0.26 -0.89 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 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 -0.31 0.62 1.84 0.62 0.00 -1.04 -4.58 105.19 102.34 3hgj n GLY 116 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 -0.06 3.83 -0.02 0.00 -0.76 -4.90 105.19 101.29 3hgj n GLY 117 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.58 4.15 0.49 1.61 -0.14 -1.26 -4.21 119.74 116.80 3hgj s LYS 118 Ca 0.00 0.96 -0.22 0.00 -1.36 0.00 0.00 55.97 55.35 3hgj s LYS 118 Cb 0.00 -2.27 -0.09 0.00 -1.68 0.00 0.00 37.83 33.79 3hgj s LYS 118 CO 0.00 0.04 0.87 -2.30 -0.76 0.00 0.00 175.35 173.19 3hgj n PRO 119 N -0.54 1.01 -0.02 -1.68 -0.02 -1.26 -1.46 135.00 131.03 3hgj n PRO 119 Ca 0.06 0.37 0.04 0.00 -2.02 0.00 0.00 63.50 61.95 3hgj n PRO 119 Cb 0.54 -1.96 0.05 0.00 -0.02 0.00 0.00 33.50 32.11 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 0.27 1.86 0.00 2.45 4.77 -0.46 -4.84 117.00 121.05 3hgj n LEU 120 Ca 0.11 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 3hgj n LEU 120 Cb 0.43 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3hgj n LEU 120 CO 0.54 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 3hgj n GLY 121 N 0.41 0.47 3.55 -0.72 0.00 -1.26 -5.05 105.19 102.60 3hgj n GLY 121 Ca 0.05 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.32 3hgj n GLY 121 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hgj s TRP 122 N -2.00 1.55 -1.26 1.61 0.51 -1.26 -4.91 118.94 113.17 3hgj s TRP 122 Ca 0.00 1.23 -0.13 0.00 -2.12 0.00 0.00 56.10 55.08 3hgj s TRP 122 Cb 0.00 -3.15 0.15 0.00 -0.81 0.00 0.00 33.47 29.66 3hgj s TRP 122 CO 0.00 -3.53 1.65 0.54 -0.51 0.00 0.00 176.95 175.10 3hgj n ARG 123 N -4.68 3.41 -2.64 4.98 1.74 -1.26 -5.01 116.66 113.20 3hgj n ARG 123 Ca 0.05 -3.63 -0.34 0.00 -0.77 0.00 0.00 57.85 53.16 3hgj n ARG 123 Cb 0.54 -3.06 -0.05 0.00 -1.02 0.00 0.00 32.46 28.87 3hgj n ARG 123 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3hgj s VAL 124 N 1.53 4.00 0.33 1.55 -7.23 -1.26 -4.87 120.40 114.45 3hgj s VAL 124 Ca 0.43 1.28 0.07 0.00 -1.81 0.00 0.00 61.98 61.95 3hgj s VAL 124 Cb 0.03 -3.53 -0.03 0.00 0.56 0.00 0.00 36.38 33.41 3hgj s VAL 124 CO 0.01 -0.24 0.29 0.68 -0.31 0.00 0.00 175.10 175.52 3hgj s VAL 125 N -2.01 3.54 0.17 1.32 -7.23 -1.25 -0.91 120.40 114.02 3hgj s VAL 125 Ca 0.64 -1.38 -0.24 0.00 -1.81 0.00 0.00 61.98 59.19 3hgj s VAL 125 Cb -0.14 -3.18 0.06 0.00 0.56 0.00 0.00 36.38 33.67 3hgj s VAL 125 CO 0.18 -0.18 0.95 -0.83 -0.31 0.00 0.00 175.10 174.92 3hgj s GLY 126 N -3.99 -0.18 0.25 2.32 0.00 -0.24 -0.68 107.32 104.80 3hgj s GLY 126 Ca 0.41 0.03 0.12 0.00 0.00 0.00 0.00 44.72 45.28 3hgj s GLY 126 CO 0.26 0.19 1.50 -0.56 0.00 0.00 0.00 173.10 174.50 3hgj h PRO 127 N 2.00 0.00 -4.16 2.90 0.13 -1.84 -0.39 132.00 130.64 3hgj h PRO 127 Ca -0.24 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.75 3hgj h PRO 127 Cb 1.23 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 3hgj h PRO 127 CO 0.27 0.66 -0.52 -1.12 -0.23 0.00 0.00 178.00 177.06 3hgj s SER 128 N -6.63 0.23 -1.29 1.44 0.01 -1.26 -4.43 113.70 101.76 3hgj s SER 128 Ca 0.01 -1.01 -0.08 0.00 1.31 0.00 0.00 55.95 56.18 3hgj s SER 128 Cb 0.10 0.33 0.15 0.00 0.21 0.00 0.00 66.02 66.82 3hgj s SER 128 CO 0.76 -0.76 2.02 -0.81 0.41 0.00 0.00 173.24 174.86 3hgj n PRO 129 N -0.10 3.92 -4.37 12.44 -0.04 -1.26 -4.57 135.00 141.02 3hgj n PRO 129 Ca -0.08 -3.52 -0.30 0.00 -0.04 0.00 0.00 63.50 59.55 3hgj n PRO 129 Cb 0.63 -2.83 -0.17 0.00 -0.04 0.00 0.00 33.50 31.09 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 -0.11 1.71 0.56 0.52 1.01 -1.26 -4.85 121.20 118.78 3hgj s ILE 130 Ca 0.44 -0.75 -0.18 0.00 0.00 0.00 0.00 60.65 60.15 3hgj s ILE 130 Cb 0.12 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.99 3hgj s ILE 130 CO -0.02 0.48 1.10 -2.16 0.00 0.00 0.00 174.94 174.34 3hgj s PRO 131 N 1.10 3.33 0.07 2.79 0.04 -1.26 -4.53 135.00 136.54 3hgj s PRO 131 Ca -0.03 1.45 -0.25 0.00 0.04 0.00 0.00 61.00 62.21 3hgj s PRO 131 Cb -0.14 -2.02 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 3hgj s PRO 131 CO -0.05 -0.84 1.40 0.35 0.04 0.00 0.00 177.00 177.90 3hgj h PHE 132 N 0.91 -1.06 -4.04 0.56 3.57 -1.82 -3.45 116.94 111.61 3hgj h PHE 132 Ca -0.49 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 60.89 3hgj h PHE 132 Cb 1.24 0.43 -0.11 0.00 2.79 0.00 0.00 35.95 40.30 3hgj h PHE 132 CO 0.54 -0.46 -0.32 0.34 -2.23 0.00 0.00 178.31 176.19 3hgj s ASP 133 N -3.88 0.05 0.44 0.41 -1.08 -1.26 -4.67 116.67 106.68 3hgj s ASP 133 Ca -0.12 -1.14 -0.21 0.00 -0.52 0.00 0.00 52.55 50.57 3hgj s ASP 133 Cb 0.04 0.51 -0.14 0.00 -1.46 0.00 0.00 42.92 41.87 3hgj s ASP 133 CO 0.43 -1.03 0.20 -0.62 0.52 0.00 0.00 175.17 174.67 3hgj n GLU 134 N -0.35 0.18 0.00 4.34 1.02 -1.26 0.10 120.64 124.67 3hgj n GLU 134 Ca -0.00 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3hgj n GLU 134 Cb 0.63 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 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 2.18 2.46 3.80 0.62 0.00 -1.26 -5.00 105.19 108.00 3hgj n GLY 135 Ca 0.11 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.54 3.78 0.92 1.61 2.02 0.12 -4.85 117.35 120.42 3hgj s TYR 136 Ca 0.00 1.40 -0.11 0.00 -0.37 0.00 0.00 57.07 57.98 3hgj s TYR 136 Cb 0.00 -2.60 0.10 0.00 -0.40 0.00 0.00 41.96 39.06 3hgj s TYR 136 CO 0.00 0.49 0.86 -0.35 -1.57 0.00 0.00 175.55 174.98 3hgj n PRO 137 N 1.36 -0.35 -2.95 -1.71 -0.04 -1.26 -4.63 135.00 125.42 3hgj n PRO 137 Ca -0.07 -0.04 -0.41 0.00 -0.04 0.00 0.00 63.50 62.94 3hgj n PRO 137 Cb 0.50 -2.18 -0.04 0.00 -0.04 0.00 0.00 33.50 31.74 3hgj n PRO 137 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3hgj s VAL 138 N -2.51 4.93 0.72 0.52 1.01 -1.26 -4.13 120.40 119.68 3hgj s VAL 138 Ca 0.63 1.54 -0.12 0.00 0.00 0.00 0.00 61.98 64.04 3hgj s VAL 138 Cb -0.23 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.08 3hgj s VAL 138 CO 0.61 0.08 1.08 -2.16 0.00 0.00 0.00 175.10 174.72 3hgj s PRO 139 N 1.85 2.59 -0.11 2.72 0.04 -1.26 -4.87 135.00 135.95 3hgj s PRO 139 Ca 0.37 1.15 -0.25 0.00 0.04 0.00 0.00 61.00 62.32 3hgj s PRO 139 Cb -0.17 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 3hgj s PRO 139 CO 0.13 -1.39 0.78 -1.21 0.04 0.00 0.00 177.00 175.35 3hgj s GLU 140 N -4.75 4.37 0.21 4.56 2.02 -0.09 -4.41 118.70 120.61 3hgj s GLU 140 Ca 0.61 0.97 -0.30 0.00 0.02 0.00 0.00 54.97 56.27 3hgj s GLU 140 Cb -0.17 -3.51 -0.09 0.00 0.10 0.00 0.00 34.13 30.46 3hgj s GLU 140 CO 0.52 -0.14 1.39 -1.25 0.02 0.00 0.00 175.26 175.80 3hgj s PRO 141 N 1.48 4.32 0.40 0.39 0.04 -1.25 -1.08 135.00 139.31 3hgj s PRO 141 Ca 0.38 2.18 -0.26 0.00 0.04 0.00 0.00 61.00 63.35 3hgj s PRO 141 Cb -0.17 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.12 3hgj s PRO 141 CO 0.16 -0.36 1.27 -0.51 0.04 0.00 0.00 177.00 177.60 3hgj s LEU 142 N -0.06 4.21 0.00 -3.56 1.43 -0.16 -4.87 118.68 115.67 3hgj s LEU 142 Ca 0.59 2.58 0.09 0.00 -1.03 0.00 0.00 54.13 56.36 3hgj s LEU 142 Cb -0.39 -3.93 0.09 0.00 0.03 0.00 0.00 46.19 41.99 3hgj s LEU 142 CO 0.39 -0.81 0.77 -0.90 0.23 0.00 0.00 176.35 176.03 3hgj n ASP 143 N 0.13 2.00 0.08 2.29 5.68 -1.26 -4.92 116.55 120.54 3hgj n ASP 143 Ca 0.04 -2.46 0.05 0.00 -0.50 0.00 0.00 54.79 51.92 3hgj n ASP 143 Cb 0.44 -0.41 0.48 0.00 -1.14 0.00 0.00 41.12 40.49 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 0.37 0.16 0.11 5.08 -2.00 -1.67 114.58 116.64 3hgj h GLU 144 Ca -0.26 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3hgj h GLU 144 Cb 1.19 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3hgj h GLU 144 CO 0.37 0.27 -0.08 0.00 -1.00 0.00 0.00 179.01 178.57 3hgj h ALA 145 N 1.80 -0.21 -0.29 3.43 0.00 -2.00 -2.69 119.26 119.30 3hgj h ALA 145 Ca 0.10 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3hgj h ALA 145 Cb -0.01 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3hgj h ALA 145 CO -0.02 -0.59 -0.16 0.78 0.00 0.00 0.00 179.25 179.27 3hgj h GLY 146 N -0.28 0.56 1.00 0.00 0.00 -1.77 -0.91 103.07 101.67 3hgj h GLY 146 Ca -0.02 -0.41 -0.05 0.00 0.00 0.00 0.00 47.33 46.85 3hgj h GLY 146 CO 0.04 0.38 0.14 -0.33 0.00 0.00 0.00 176.54 176.76 3hgj h MET 147 N 0.47 0.87 -0.53 4.80 2.07 -1.35 0.06 114.93 121.33 3hgj h MET 147 Ca 0.08 -0.21 -0.11 0.00 -2.07 0.00 0.00 59.70 57.40 3hgj h MET 147 Cb 0.55 -0.12 -0.02 0.00 -1.87 0.00 0.00 31.60 30.15 3hgj h MET 147 CO 0.04 0.82 -0.08 1.49 1.07 0.00 0.00 176.91 180.24 3hgj h GLU 148 N 0.78 0.98 -0.18 1.72 4.57 -1.09 0.99 114.58 122.34 3hgj h GLU 148 Ca 0.17 -0.34 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 3hgj h GLU 148 Cb 0.33 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 3hgj h GLU 148 CO 0.00 1.01 0.09 -0.09 -1.18 0.00 0.00 179.01 178.84 3hgj h ARG 149 N 0.88 0.27 -1.01 1.92 2.43 -1.06 -1.96 114.38 115.85 3hgj h ARG 149 Ca 0.14 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3hgj h ARG 149 Cb 0.63 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 3hgj h ARG 149 CO 0.04 0.30 0.66 0.82 -1.51 0.00 0.00 179.97 180.28 3hgj h ILE 150 N 0.17 1.21 -0.19 1.20 2.04 -0.70 -1.31 117.51 119.93 3hgj h ILE 150 Ca 0.06 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.49 3hgj h ILE 150 Cb 0.12 -0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 35.96 3hgj h ILE 150 CO -0.01 0.24 0.08 0.25 0.00 0.00 0.00 178.15 178.71 3hgj h LEU 151 N 1.31 0.10 -1.32 1.44 6.46 -0.68 -1.96 115.31 120.66 3hgj h LEU 151 Ca 0.39 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 58.10 3hgj h LEU 151 Cb -0.06 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.85 3hgj h LEU 151 CO -0.11 0.09 -0.31 1.56 -0.62 0.00 0.00 178.44 179.05 3hgj h GLN 152 N 0.18 0.00 -0.35 1.25 1.08 -0.91 -1.33 115.11 115.03 3hgj h GLN 152 Ca 0.08 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.24 3hgj h GLN 152 Cb 0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.45 3hgj h GLN 152 CO -0.07 0.31 0.05 0.00 -0.95 0.00 0.00 178.83 178.17 3hgj h ALA 153 N 1.69 0.46 -0.38 3.87 0.00 -0.88 -0.09 119.26 123.93 3hgj h ALA 153 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3hgj h ALA 153 Cb 0.65 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3hgj h ALA 153 CO 0.04 0.17 0.25 0.74 0.00 0.00 0.00 179.25 180.45 3hgj h PHE 154 N 0.41 0.48 -0.73 0.00 0.04 -0.80 0.27 116.94 116.62 3hgj h PHE 154 Ca 0.10 0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 3hgj h PHE 154 Cb 0.37 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.33 3hgj h PHE 154 CO 0.03 0.31 0.29 0.28 -0.60 0.00 0.00 178.31 178.62 3hgj h VAL 155 N 0.51 1.25 0.14 -0.55 2.07 -1.02 0.14 116.25 118.79 3hgj h VAL 155 Ca 0.14 -0.77 -0.28 0.00 0.82 0.00 0.00 66.70 66.60 3hgj h VAL 155 Cb -0.05 0.38 0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3hgj h VAL 155 CO -0.03 0.31 -1.27 -0.33 0.02 0.00 0.00 177.57 176.28 3hgj h GLU 156 N 1.05 0.32 -0.71 1.57 4.39 -0.86 -0.14 114.58 120.20 3hgj h GLU 156 Ca 0.24 -0.53 0.02 0.00 0.34 0.00 0.00 59.36 59.43 3hgj h GLU 156 Cb 0.20 0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.01 3hgj h GLU 156 CO -0.02 1.25 0.46 0.78 -1.16 0.00 0.00 179.01 180.32 3hgj h GLY 157 N 1.36 1.02 0.96 -3.84 0.00 -0.36 0.19 103.07 102.40 3hgj h GLY 157 Ca -0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 3hgj h GLY 157 CO 0.21 0.31 0.19 0.00 0.00 0.00 0.00 176.54 177.26 3hgj h ALA 158 N 1.29 0.51 -0.45 3.60 0.00 -0.55 -1.32 119.26 122.34 3hgj h ALA 158 Ca 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3hgj h ALA 158 Cb -0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hgj h ALA 158 CO -0.09 0.07 0.26 0.00 0.00 0.00 0.00 179.25 179.48 3hgj h ARG 159 N 0.50 0.63 -0.35 0.00 3.08 -0.83 -1.96 114.38 115.45 3hgj h ARG 159 Ca 0.14 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3hgj h ARG 159 Cb 0.11 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 3hgj h ARG 159 CO -0.02 0.49 0.22 -0.09 -1.07 0.00 0.00 179.97 179.50 3hgj h ARG 160 N 0.60 0.45 -0.60 0.04 2.43 -0.46 -1.48 114.38 115.36 3hgj h ARG 160 Ca 0.16 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.38 3hgj h ARG 160 Cb 0.03 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 29.42 3hgj h ARG 160 CO -0.03 0.29 0.27 0.00 -1.51 0.00 0.00 179.97 178.99 3hgj h ALA 161 N 1.14 0.78 -0.60 2.80 0.00 -1.10 0.15 119.26 122.43 3hgj h ALA 161 Ca 0.13 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 3hgj h ALA 161 Cb -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3hgj h ALA 161 CO -0.04 -0.12 0.16 -0.07 0.00 0.00 0.00 179.25 179.17 3hgj h LEU 162 N 0.49 0.86 -1.32 0.00 3.38 -1.18 -1.28 115.31 116.27 3hgj h LEU 162 Ca 0.29 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3hgj h LEU 162 Cb 0.29 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hgj h LEU 162 CO -0.25 0.83 -0.08 0.03 0.09 0.00 0.00 178.44 179.07 3hgj h ARG 163 N 0.89 0.37 -0.00 1.13 3.08 -0.05 -0.84 114.38 118.96 3hgj h ARG 163 Ca 0.19 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3hgj h ARG 163 Cb 0.30 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3hgj h ARG 163 CO -0.00 0.46 -0.00 0.00 -1.07 0.00 0.00 179.97 179.35 3hgj n ALA 164 N -2.48 2.66 -0.55 0.04 0.00 0.39 -4.90 120.51 115.67 3hgj n ALA 164 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3hgj n ALA 164 Cb 0.26 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 1.06 0.70 3.77 0.00 0.00 -0.32 -4.26 105.19 106.14 3hgj n GLY 165 Ca 0.22 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3hgj n GLY 165 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hgj s PHE 166 N -2.00 3.55 -0.30 1.61 0.08 -0.54 -4.84 117.98 115.54 3hgj s PHE 166 Ca 0.00 1.72 0.08 0.00 0.12 0.00 0.00 56.93 58.86 3hgj s PHE 166 Cb 0.00 -3.15 -0.10 0.00 -0.57 0.00 0.00 43.02 39.20 3hgj s PHE 166 CO 0.00 -0.34 0.31 1.04 -0.10 0.00 0.00 175.22 176.13 3hgj n GLN 167 N 0.76 3.38 -4.35 0.44 6.02 -0.33 -4.34 117.38 118.96 3hgj n GLN 167 Ca 0.01 -0.02 -0.29 0.00 -0.01 0.00 0.00 57.00 56.69 3hgj n GLN 167 Cb 0.47 -0.96 -0.17 0.00 1.02 0.00 0.00 30.24 30.61 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 -1.95 1.54 -0.17 5.09 1.01 -1.21 -4.00 120.40 120.71 3hgj s VAL 168 Ca 0.02 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 3hgj s VAL 168 Cb 0.06 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3hgj s VAL 168 CO 0.34 0.45 0.04 -0.63 0.00 0.00 0.00 175.10 175.30 3hgj s ILE 169 N 1.12 4.61 -0.09 2.22 -1.09 -1.13 -1.66 121.20 125.18 3hgj s ILE 169 Ca -0.03 -0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.32 3hgj s ILE 169 Cb -0.14 -3.06 -0.01 0.00 -1.58 0.00 0.00 42.46 37.67 3hgj s ILE 169 CO -0.04 0.48 -0.21 -0.70 -1.23 0.00 0.00 174.94 173.23 3hgj s GLU 170 N 0.28 2.93 -0.21 2.79 2.12 -0.12 -0.42 118.70 126.07 3hgj s GLU 170 Ca 0.02 -0.83 -0.16 0.00 0.36 0.00 0.00 54.97 54.36 3hgj s GLU 170 Cb -0.13 -2.33 -0.04 0.00 0.26 0.00 0.00 34.13 31.89 3hgj s GLU 170 CO 0.01 0.28 0.39 -0.51 -0.54 0.00 0.00 175.26 174.89 3hgj s LEU 171 N 0.11 4.14 -0.61 2.70 1.43 -0.20 -0.09 118.68 126.15 3hgj s LEU 171 Ca -0.10 0.48 -0.26 0.00 -1.03 0.00 0.00 54.13 53.22 3hgj s LEU 171 Cb -0.16 -2.50 0.04 0.00 0.03 0.00 0.00 46.19 43.60 3hgj s LEU 171 CO 0.06 -0.09 1.09 -2.28 0.23 0.00 0.00 176.35 175.36 3hgj s HIS 172 N 1.41 2.61 -0.27 0.29 2.46 -0.66 -1.34 115.29 119.80 3hgj s HIS 172 Ca 0.18 0.03 0.11 0.00 0.47 0.00 0.00 55.06 55.85 3hgj s HIS 172 Cb -0.15 -4.36 0.46 0.00 -0.13 0.00 0.00 32.58 28.41 3hgj s HIS 172 CO 0.08 -1.62 1.18 -1.33 -2.47 0.00 0.00 174.74 170.58 3hgj n MET 173 N 8.19 2.91 -4.44 2.88 2.81 -0.34 -4.59 117.12 124.55 3hgj n MET 173 Ca 0.03 -3.87 -0.21 0.00 -1.81 0.00 0.00 57.70 51.83 3hgj n MET 173 Cb 0.48 -2.00 -0.10 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 -3.48 2.34 -1.09 3.04 0.00 -1.18 -3.54 121.76 117.86 3hgj s ALA 174 Ca 0.44 -1.92 0.00 0.00 0.00 0.00 0.00 51.96 50.48 3hgj s ALA 174 Cb 0.39 0.73 0.00 0.00 0.00 0.00 0.00 23.12 24.24 3hgj s ALA 174 CO 0.01 -0.33 0.00 0.72 0.00 0.00 0.00 175.76 176.15 3hgj n HIS 175 N -0.68 -0.51 -0.89 0.00 8.25 -1.22 -2.76 115.22 117.40 3hgj n HIS 175 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3hgj n HIS 175 Cb 0.66 -2.69 0.00 0.00 1.12 0.00 0.00 29.99 29.09 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 -1.07 0.63 1.02 -1.41 0.00 -1.24 -4.44 105.19 98.68 3hgj n GLY 176 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.16 -3.74 0.39 1.61 4.01 -1.11 -4.38 117.16 111.78 3hgj n TYR 177 Ca 0.00 -0.30 -0.19 0.00 -0.16 0.00 0.00 57.90 57.25 3hgj n TYR 177 Cb 0.03 -0.29 -0.09 0.00 -0.31 0.00 0.00 39.34 38.68 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 -1.15 -1.35 7.72 5.85 -1.06 0.77 115.31 126.09 3hgj h LEU 178 Ca -0.12 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 3hgj h LEU 178 Cb 0.33 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3hgj h LEU 178 CO 0.08 -0.69 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.27 3hgj h LEU 179 N -1.09 0.23 -0.41 2.25 3.38 -1.81 -2.37 115.31 115.50 3hgj h LEU 179 Ca -0.09 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 3hgj h LEU 179 Cb 0.88 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 3hgj h LEU 179 CO 0.08 0.41 -0.14 -1.28 0.09 0.00 0.00 178.44 177.60 3hgj h SER 180 N 0.23 0.83 0.58 -0.43 0.87 -1.48 -2.57 113.55 111.58 3hgj h SER 180 Ca 0.04 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 3hgj h SER 180 Cb 0.42 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 3hgj h SER 180 CO 0.03 1.02 0.00 0.77 -0.53 0.00 0.00 176.83 178.12 3hgj h SER 181 N 0.63 0.00 0.73 6.23 4.64 -0.35 -1.05 113.55 124.38 3hgj h SER 181 Ca 0.10 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.21 3hgj h SER 181 Cb 0.68 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 3hgj h SER 181 CO 0.05 0.00 -0.94 -0.26 -0.87 0.00 0.00 176.83 174.81 3hgj h PHE 182 N 0.00 0.19 -0.02 4.77 0.04 -1.11 -3.06 116.94 117.76 3hgj h PHE 182 Ca 0.00 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.64 3hgj h PHE 182 Cb 0.29 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.43 3hgj h PHE 182 CO 0.00 0.99 -0.04 -0.07 -0.60 0.00 0.00 178.31 178.59 3hgj h LEU 183 N 0.06 0.07 -9.74 1.54 3.38 -1.02 -3.42 115.31 106.17 3hgj h LEU 183 Ca -0.04 -0.60 -0.51 0.00 0.09 0.00 0.00 57.88 56.82 3hgj h LEU 183 Cb 1.62 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 42.36 3hgj h LEU 183 CO 0.14 0.66 0.49 -0.55 0.09 0.00 0.00 178.44 179.26 3hgj s SER 184 N -5.89 7.23 0.00 -0.43 0.15 -1.00 -4.85 113.70 108.91 3hgj s SER 184 Ca -0.16 2.21 0.30 0.00 0.70 0.00 0.00 55.95 59.00 3hgj s SER 184 Cb 0.01 -2.62 1.43 0.00 -1.71 0.00 0.00 66.02 63.14 3hgj s SER 184 CO 0.69 -0.21 2.02 -0.81 1.20 0.00 0.00 173.24 176.13 3hgj n PRO 185 N 1.76 0.30 0.23 5.44 -0.04 -1.26 -1.11 135.00 140.33 3hgj n PRO 185 Ca 0.01 -0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.53 3hgj n PRO 185 Cb 0.45 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.95 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 0.01 0.00 0.00 1.53 3.38 -1.90 -3.33 115.31 114.99 3hgj h LEU 186 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hgj h LEU 186 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3hgj h LEU 186 CO 0.00 0.17 -0.31 -1.54 0.09 0.00 0.00 178.44 176.85 3hgj n SER 187 N -4.25 1.57 -4.23 -0.43 3.41 -1.18 -4.94 113.62 103.57 3hgj n SER 187 Ca -0.02 -0.13 -0.40 0.00 -0.26 0.00 0.00 58.87 58.06 3hgj n SER 187 Cb 0.24 0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 64.66 3hgj n SER 187 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hgj s ASN 188 N -0.88 5.61 -0.20 4.04 2.47 -0.26 -4.09 114.94 121.63 3hgj s ASN 188 Ca 0.00 -1.69 0.15 0.00 0.42 0.00 0.00 52.86 51.74 3hgj s ASN 188 Cb 0.00 -1.97 0.47 0.00 -1.45 0.00 0.00 41.25 38.30 3hgj s ASN 188 CO 0.00 -0.58 1.37 0.00 -3.72 0.00 0.00 177.10 174.17 3hgj n GLN 189 N 4.88 2.22 -1.26 0.43 1.13 -1.26 -4.41 117.38 119.11 3hgj n GLN 189 Ca -0.09 -2.91 -0.35 0.00 -1.94 0.00 0.00 57.00 51.72 3hgj n GLN 189 Cb 0.42 -1.76 0.10 0.00 0.11 0.00 0.00 30.24 29.11 3hgj n GLN 189 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3hgj n ARG 190 N -0.90 0.38 0.00 -1.09 1.74 -1.26 -4.79 116.66 110.74 3hgj n ARG 190 Ca 0.24 0.19 0.00 0.00 -0.77 0.00 0.00 57.85 57.51 3hgj n ARG 190 Cb 0.87 -2.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 3hgj n ARG 190 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3hgj n THR 191 N -2.80 0.64 -1.31 0.55 -2.24 -1.26 -2.41 114.28 105.45 3hgj n THR 191 Ca 0.13 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3hgj n THR 191 Cb 0.50 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 -0.32 0.00 -0.19 3.42 5.75 -1.26 -4.92 116.55 119.03 3hgj n ASP 192 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 3hgj n ASP 192 Cb 0.23 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.32 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 2.06 -0.48 2.12 0.00 -1.26 -3.13 120.51 116.82 3hgj n ALA 193 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3hgj n ALA 193 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.46 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 -0.24 0.00 -4.14 0.00 4.01 -1.26 -4.65 117.16 110.88 3hgj n TYR 194 Ca 0.00 -0.36 -0.15 0.00 -0.16 0.00 0.00 57.90 57.23 3hgj n TYR 194 Cb 0.06 -0.04 -0.06 0.00 -0.31 0.00 0.00 39.34 38.99 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 -0.84 1.56 0.00 2.72 0.00 -1.18 -4.15 107.32 105.43 3hgj s GLY 195 Ca 0.02 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.15 3hgj s GLY 195 CO 0.00 -1.12 0.00 0.61 0.00 0.00 0.00 173.10 172.59 3hgj n GLY 196 N -0.51 1.48 3.76 0.20 0.00 -1.01 -4.59 105.19 104.52 3hgj n GLY 196 Ca 0.02 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.28 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 3.97 0.33 1.61 1.04 -1.26 -4.82 113.70 110.57 3hgj s SER 197 Ca 0.00 1.39 0.04 0.00 0.48 0.00 0.00 55.95 57.85 3hgj s SER 197 Cb 0.00 -2.09 0.58 0.00 0.10 0.00 0.00 66.02 64.61 3hgj s SER 197 CO 0.00 -2.31 1.88 0.25 0.98 0.00 0.00 173.24 174.04 3hgj h LEU 198 N -1.33 0.54 -0.60 2.42 5.85 -1.97 -1.81 115.31 118.42 3hgj h LEU 198 Ca -0.48 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 3hgj h LEU 198 Cb 1.28 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 3hgj h LEU 198 CO 0.57 0.58 0.35 -0.08 -0.34 0.00 0.00 178.44 179.52 3hgj h GLU 199 N 0.56 0.83 -0.15 1.25 4.57 -1.97 -1.94 114.58 117.73 3hgj h GLU 199 Ca 0.12 -0.09 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 3hgj h GLU 199 Cb 0.30 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.71 3hgj h GLU 199 CO 0.01 0.61 -0.09 -0.91 -1.18 0.00 0.00 179.01 177.45 3hgj h ASN 200 N 0.81 0.33 -0.54 1.04 4.21 -1.70 -3.05 115.58 116.69 3hgj h ASN 200 Ca 0.21 -0.43 0.00 0.00 1.21 0.00 0.00 56.30 57.30 3hgj h ASN 200 Cb 0.01 -0.09 -0.03 0.00 -1.12 0.00 0.00 38.32 37.09 3hgj h ASN 200 CO -0.04 0.69 0.35 0.03 -1.29 0.00 0.00 177.43 177.18 3hgj h ARG 201 N -0.03 0.72 0.00 0.81 3.08 -1.34 -0.88 114.38 116.74 3hgj h ARG 201 Ca 0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hgj h ARG 201 Cb 0.57 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.46 3hgj h ARG 201 CO 0.02 0.48 0.00 -1.33 -1.07 0.00 0.00 179.97 178.07 3hgj n MET 202 N -4.45 0.10 0.16 0.04 2.81 -0.73 -4.07 117.12 110.98 3hgj n MET 202 Ca 0.05 0.26 -0.14 0.00 -1.81 0.00 0.00 57.70 56.06 3hgj n MET 202 Cb 0.05 -1.67 -0.08 0.00 -0.71 0.00 0.00 33.22 30.81 3hgj n MET 202 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 3hgj h ARG 203 N 0.00 -0.37 -0.30 0.03 2.43 -1.04 -0.42 114.38 114.71 3hgj h ARG 203 Ca 0.00 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3hgj h ARG 203 Cb 0.41 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3hgj h ARG 203 CO 0.00 -0.10 -0.15 0.35 -1.51 0.00 0.00 179.97 178.55 3hgj h PHE 204 N -0.60 0.74 -0.68 2.20 3.57 -1.74 -1.82 116.94 118.61 3hgj h PHE 204 Ca -0.04 -0.19 0.08 0.00 3.53 0.00 0.00 57.97 61.35 3hgj h PHE 204 Cb 0.43 -0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.94 3hgj h PHE 204 CO -0.00 0.87 0.35 -1.35 -2.23 0.00 0.00 178.31 175.95 3hgj h PRO 205 N 0.40 0.60 0.00 6.41 0.11 -1.76 -0.75 132.00 137.01 3hgj h PRO 205 Ca 0.07 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.04 3hgj h PRO 205 Cb 0.68 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 3hgj h PRO 205 CO 0.05 0.40 -0.47 -0.07 -0.21 0.00 0.00 178.00 177.70 3hgj h LEU 206 N 0.62 0.00 -0.34 2.35 3.38 -1.03 -1.69 115.31 118.60 3hgj h LEU 206 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3hgj h LEU 206 Cb 0.28 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3hgj h LEU 206 CO -0.23 0.47 0.16 1.56 0.09 0.00 0.00 178.44 180.49 3hgj h GLN 207 N 0.00 0.49 -0.02 1.13 4.20 -0.38 -1.91 115.11 118.62 3hgj h GLN 207 Ca -0.00 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.64 3hgj h GLN 207 Cb 0.99 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 3hgj h GLN 207 CO 0.06 0.45 -0.02 0.28 -0.67 0.00 0.00 178.83 178.93 3hgj h VAL 208 N 0.41 0.95 -0.16 -0.54 2.07 -0.43 -1.17 116.25 117.39 3hgj h VAL 208 Ca 0.12 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.68 3hgj h VAL 208 Cb 0.12 0.95 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3hgj h VAL 208 CO -0.01 0.00 -0.15 0.00 0.02 0.00 0.00 177.57 177.43 3hgj h ALA 209 N 1.00 -0.04 -0.26 1.67 0.00 -1.34 0.15 119.26 120.44 3hgj h ALA 209 Ca 0.02 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3hgj h ALA 209 Cb 0.04 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.08 3hgj h ALA 209 CO -0.03 -0.59 -0.21 0.37 0.00 0.00 0.00 179.25 178.79 3hgj h GLN 210 N -0.17 -0.19 -0.65 0.00 4.15 -1.22 0.45 115.11 117.48 3hgj h GLN 210 Ca 0.11 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.52 3hgj h GLN 210 Cb 0.32 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 3hgj h GLN 210 CO -0.26 -0.13 0.34 0.00 -1.93 0.00 0.00 178.83 176.85 3hgj h ALA 211 N 0.92 0.83 -0.33 3.38 0.00 -0.73 -1.14 119.26 122.19 3hgj h ALA 211 Ca 0.14 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3hgj h ALA 211 Cb 0.42 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3hgj h ALA 211 CO -0.38 0.37 -0.44 0.28 0.00 0.00 0.00 179.25 179.08 3hgj h VAL 212 N 0.89 1.28 -0.99 0.00 2.07 -0.55 -2.90 116.25 116.05 3hgj h VAL 212 Ca 0.23 -1.62 0.18 0.00 0.82 0.00 0.00 66.70 66.31 3hgj h VAL 212 Cb 0.07 1.48 -0.10 0.00 -1.52 0.00 0.00 31.29 31.23 3hgj h VAL 212 CO -0.03 0.53 0.61 -0.09 0.02 0.00 0.00 177.57 178.61 3hgj h ARG 213 N 0.68 0.71 -0.16 1.57 9.65 0.49 -1.27 114.38 126.06 3hgj h ARG 213 Ca 0.04 -0.04 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 3hgj h ARG 213 Cb 1.02 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.43 3hgj h ARG 213 CO 0.10 0.47 -0.17 0.93 2.80 0.00 0.00 179.97 184.11 3hgj h GLU 214 N 0.74 0.26 -0.01 0.20 5.08 -1.01 -2.98 114.58 116.86 3hgj h GLU 214 Ca 0.55 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 3hgj h GLU 214 Cb 0.89 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.11 3hgj h GLU 214 CO -0.33 0.43 -0.69 1.33 -1.00 0.00 0.00 179.01 178.75 3hgj n VAL 215 N -4.23 0.00 -3.29 3.13 0.24 -0.52 -4.81 118.33 108.86 3hgj n VAL 215 Ca -0.01 -0.14 -0.41 0.00 -2.04 0.00 0.00 64.34 61.75 3hgj n VAL 215 Cb 0.30 1.09 -0.08 0.00 -1.47 0.00 0.00 33.84 33.68 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 -2.71 5.06 0.29 3.34 1.01 -0.98 -4.86 120.40 121.55 3hgj s VAL 216 Ca 0.14 0.32 -0.26 0.00 0.00 0.00 0.00 61.98 62.17 3hgj s VAL 216 Cb 0.17 -3.91 -0.15 0.00 0.00 0.00 0.00 36.38 32.49 3hgj s VAL 216 CO 0.70 -0.15 0.64 -2.65 0.00 0.00 0.00 175.10 173.64 3hgj n PRO 217 N 5.63 0.53 0.31 2.72 -0.02 -1.26 -4.82 135.00 138.08 3hgj n PRO 217 Ca -0.06 0.19 0.19 0.00 -2.02 0.00 0.00 63.50 61.80 3hgj n PRO 217 Cb 0.49 -1.36 0.98 0.00 -0.02 0.00 0.00 33.50 33.59 3hgj n PRO 217 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 3hgj h ARG 218 N 1.21 0.00 0.00 -0.52 -0.00 -1.96 -0.48 114.38 112.63 3hgj h ARG 218 Ca -0.35 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.63 3hgj h ARG 218 Cb 1.40 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.37 3hgj h ARG 218 CO 0.56 0.02 0.00 -0.85 -0.00 0.00 0.00 179.97 179.70 3hgj n GLU 219 N -3.24 0.00 -4.32 0.08 0.00 -1.26 -4.48 120.64 107.41 3hgj n GLU 219 Ca -0.02 0.11 -0.34 0.00 0.00 0.00 0.00 57.16 56.91 3hgj n GLU 219 Cb 0.16 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 29.99 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 -3.00 3.46 0.13 -1.84 1.43 -0.19 0.09 118.68 118.75 3hgj s LEU 220 Ca 0.11 0.00 -0.31 0.00 -1.03 0.00 0.00 54.13 52.90 3hgj s LEU 220 Cb 0.15 -1.83 -0.08 0.00 0.03 0.00 0.00 46.19 44.47 3hgj s LEU 220 CO 0.42 0.24 1.33 -2.84 0.23 0.00 0.00 176.35 175.73 3hgj s PRO 221 N -0.06 4.36 -0.26 1.29 0.02 -1.26 -4.80 135.00 134.29 3hgj s PRO 221 Ca 0.03 2.01 -0.10 0.00 0.02 0.00 0.00 61.00 62.96 3hgj s PRO 221 Cb -0.13 -3.25 -0.04 0.00 0.02 0.00 0.00 34.50 31.10 3hgj s PRO 221 CO 0.02 -0.35 0.14 -1.17 -0.33 0.00 0.00 177.00 175.32 3hgj s LEU 222 N 0.76 3.84 0.13 -5.54 2.96 -1.26 -2.82 118.68 116.74 3hgj s LEU 222 Ca 0.61 -0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 54.46 3hgj s LEU 222 Cb -0.35 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.25 3hgj s LEU 222 CO 0.32 -0.02 0.30 -0.36 -1.32 0.00 0.00 176.35 175.28 3hgj s PHE 223 N 1.55 3.49 -0.05 5.38 0.40 0.44 -0.99 117.98 128.21 3hgj s PHE 223 Ca 0.07 0.31 0.03 0.00 -0.60 0.00 0.00 56.93 56.73 3hgj s PHE 223 Cb -0.15 -1.82 0.01 0.00 0.51 0.00 0.00 43.02 41.57 3hgj s PHE 223 CO 0.07 0.49 -0.13 0.08 0.70 0.00 0.00 175.22 176.44 3hgj s VAL 224 N -1.68 1.14 -0.11 -0.44 1.01 -0.85 -1.03 120.40 118.44 3hgj s VAL 224 Ca 0.37 -0.51 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 3hgj s VAL 224 Cb -0.12 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3hgj s VAL 224 CO 0.28 0.35 0.09 -0.60 0.00 0.00 0.00 175.10 175.22 3hgj s ARG 225 N 0.40 3.35 0.05 2.72 3.52 -0.45 -0.41 118.95 128.13 3hgj s ARG 225 Ca -0.09 -0.23 0.02 0.00 -0.13 0.00 0.00 55.73 55.30 3hgj s ARG 225 Cb -0.13 -3.08 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 3hgj s ARG 225 CO 0.03 0.72 -0.08 0.54 -0.81 0.00 0.00 175.30 175.70 3hgj s VAL 226 N -0.88 0.56 -0.50 7.11 0.11 -0.80 -1.20 120.40 124.80 3hgj s VAL 226 Ca 0.14 -1.19 -0.27 0.00 -2.93 0.00 0.00 61.98 57.73 3hgj s VAL 226 Cb -0.12 -0.75 0.03 0.00 -1.53 0.00 0.00 36.38 34.02 3hgj s VAL 226 CO 0.03 -0.45 1.05 -0.44 -3.33 0.00 0.00 175.10 171.97 3hgj s SER 227 N -1.77 6.52 0.49 3.54 0.01 -1.26 -0.63 113.70 120.60 3hgj s SER 227 Ca -0.07 0.18 0.27 0.00 1.31 0.00 0.00 55.95 57.65 3hgj s SER 227 Cb -0.08 -2.50 1.19 0.00 0.21 0.00 0.00 66.02 64.84 3hgj s SER 227 CO -0.00 -1.23 1.94 0.00 0.41 0.00 0.00 173.24 174.36 3hgj h ALA 228 N 9.25 1.08 -2.34 1.44 0.00 -1.38 -3.42 119.26 123.90 3hgj h ALA 228 Ca -0.24 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 3hgj h ALA 228 Cb 1.07 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.68 3hgj h ALA 228 CO 1.10 0.19 -0.60 -0.08 0.00 0.00 0.00 179.25 179.86 3hgj s THR 229 N -3.81 0.18 -2.32 0.00 -1.32 -1.26 -3.02 115.64 104.08 3hgj s THR 229 Ca -0.00 -1.69 0.21 0.00 -1.21 0.00 0.00 61.69 59.00 3hgj s THR 229 Cb 0.11 -1.58 0.45 0.00 -1.51 0.00 0.00 72.50 69.97 3hgj s THR 229 CO 0.60 -0.82 1.44 -0.90 -2.21 0.00 0.00 174.62 172.74 3hgj n ASP 230 N 0.03 2.95 -1.41 8.08 3.85 -0.64 -0.80 116.55 128.60 3hgj n ASP 230 Ca -0.13 -1.93 -0.16 0.00 -0.71 0.00 0.00 54.79 51.86 3hgj n ASP 230 Cb 0.62 -0.25 -0.07 0.00 -1.35 0.00 0.00 41.12 40.07 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 1.15 -0.17 -5.14 2.11 7.02 -1.26 -4.71 117.44 116.43 3hgj n TRP 231 Ca 0.19 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.35 3hgj n TRP 231 Cb 0.51 -2.97 -0.15 0.00 -2.42 0.00 0.00 31.31 26.28 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 1.37 0.20 6.99 0.00 -1.26 -4.36 107.32 107.84 3hgj s GLY 232 Ca 0.00 -1.05 -0.33 0.00 0.00 0.00 0.00 44.72 43.34 3hgj s GLY 232 CO 0.00 -0.79 1.63 1.18 0.00 0.00 0.00 173.10 175.12 3hgj n GLU 233 N 2.55 2.44 -0.97 2.90 -0.58 -1.26 -0.85 120.64 124.87 3hgj n GLU 233 Ca -0.17 0.88 0.00 0.00 -0.42 0.00 0.00 57.16 57.45 3hgj n GLU 233 Cb 0.52 -2.67 0.00 0.00 -0.57 0.00 0.00 31.44 28.71 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 3.44 0.86 0.00 0.62 0.00 -1.26 -5.00 105.19 103.86 3hgj n GLY 234 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -2.11 0.56 3.71 -0.02 0.00 -0.03 -4.77 105.19 102.54 3hgj n GLY 235 Ca 0.00 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 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 0.18 3.04 0.44 1.61 -0.11 -1.26 -4.88 118.94 117.96 3hgj s TRP 236 Ca 0.00 0.77 0.07 0.00 1.22 0.00 0.00 56.10 58.16 3hgj s TRP 236 Cb 0.00 -3.78 -0.03 0.00 -1.50 0.00 0.00 33.47 28.16 3hgj s TRP 236 CO 0.00 -2.86 0.25 -1.54 -4.62 0.00 0.00 176.95 168.19 3hgj s SER 237 N 1.38 4.59 0.27 5.86 1.04 -1.26 -1.63 113.70 123.95 3hgj s SER 237 Ca 0.67 -1.05 -0.00 0.00 0.48 0.00 0.00 55.95 56.05 3hgj s SER 237 Cb -0.38 -0.32 0.54 0.00 0.10 0.00 0.00 66.02 65.95 3hgj s SER 237 CO 0.30 -0.67 1.79 0.25 0.98 0.00 0.00 173.24 175.90 3hgj h LEU 238 N 1.22 0.71 -0.45 2.42 5.85 -1.93 -1.33 115.31 121.80 3hgj h LEU 238 Ca -0.42 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.43 3hgj h LEU 238 Cb 1.27 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.19 3hgj h LEU 238 CO 0.65 0.34 0.17 -0.33 -0.34 0.00 0.00 178.44 178.94 3hgj h GLU 239 N 0.78 0.34 -0.29 1.25 4.39 -1.96 -1.03 114.58 118.06 3hgj h GLU 239 Ca 0.47 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.18 3hgj h GLU 239 Cb 0.58 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 3hgj h GLU 239 CO -0.31 0.23 0.11 -0.44 -1.16 0.00 0.00 179.01 177.43 3hgj h ASP 240 N 0.35 0.12 -0.92 1.42 3.32 -1.70 -2.31 116.42 116.70 3hgj h ASP 240 Ca 0.21 0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.37 3hgj h ASP 240 Cb 0.19 0.01 -0.07 0.00 0.22 0.00 0.00 39.33 39.68 3hgj h ASP 240 CO -0.20 0.10 0.56 0.74 -1.72 0.00 0.00 179.24 178.73 3hgj h THR 241 N 0.24 0.98 -0.88 0.35 2.02 -0.70 -0.83 112.91 114.10 3hgj h THR 241 Ca 0.13 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 3hgj h THR 241 Cb 0.09 -0.07 -0.04 0.00 -1.74 0.00 0.00 68.15 66.39 3hgj h THR 241 CO -0.13 0.18 0.52 -0.07 0.37 0.00 0.00 175.52 176.39 3hgj h LEU 242 N 0.97 1.06 -0.27 2.58 3.38 -0.67 0.59 115.31 122.95 3hgj h LEU 242 Ca 0.42 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 3hgj h LEU 242 Cb 0.31 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3hgj h LEU 242 CO -0.22 0.82 0.01 0.00 0.09 0.00 0.00 178.44 179.14 3hgj h ALA 243 N 1.36 0.36 -0.16 1.53 0.00 -0.89 -0.94 119.26 120.53 3hgj h ALA 243 Ca 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3hgj h ALA 243 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3hgj h ALA 243 CO -0.06 0.10 0.07 0.35 0.00 0.00 0.00 179.25 179.70 3hgj h PHE 244 N 0.26 0.23 -0.49 0.00 3.57 -0.91 -2.53 116.94 117.08 3hgj h PHE 244 Ca 0.08 -0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.66 3hgj h PHE 244 Cb 0.41 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.00 3hgj h PHE 244 CO 0.03 0.30 -0.02 0.00 -2.23 0.00 0.00 178.31 176.39 3hgj h ALA 245 N 0.91 0.43 -0.99 2.41 0.00 0.32 -0.32 119.26 122.03 3hgj h ALA 245 Ca 0.05 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3hgj h ALA 245 Cb 0.16 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3hgj h ALA 245 CO -0.00 -0.40 0.64 -0.09 0.00 0.00 0.00 179.25 179.40 3hgj h ARG 246 N 0.09 1.31 -0.33 0.00 2.43 -1.00 -0.88 114.38 115.99 3hgj h ARG 246 Ca 0.24 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 3hgj h ARG 246 Cb 0.37 -0.29 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3hgj h ARG 246 CO -0.43 0.88 0.17 0.00 -1.51 0.00 0.00 179.97 179.08 3hgj h ARG 247 N 1.35 0.47 -0.40 0.20 2.47 -0.90 -1.40 114.38 116.17 3hgj h ARG 247 Ca 0.36 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 59.03 3hgj h ARG 247 Cb -0.14 -0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 28.07 3hgj h ARG 247 CO -0.08 0.41 0.25 -0.07 0.56 0.00 0.00 179.97 181.04 3hgj h LEU 248 N 0.41 0.42 -0.57 3.04 3.38 -0.64 -1.05 115.31 120.28 3hgj h LEU 248 Ca 0.12 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.17 3hgj h LEU 248 Cb 0.09 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3hgj h LEU 248 CO -0.02 0.30 0.19 0.50 0.09 0.00 0.00 178.44 179.51 3hgj h LYS 249 N 0.50 0.35 -0.89 1.13 3.64 -1.04 0.44 116.57 120.71 3hgj h LYS 249 Ca 0.15 -0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.60 3hgj h LYS 249 Cb -0.03 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.65 3hgj h LYS 249 CO -0.05 0.23 0.58 0.93 -2.27 0.00 0.00 179.45 178.87 3hgj h GLU 250 N 0.37 0.87 0.00 1.90 5.08 -0.44 -2.09 114.58 120.27 3hgj h GLU 250 Ca 0.29 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3hgj h GLU 250 Cb 0.36 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3hgj h GLU 250 CO -0.30 0.58 0.00 -0.07 -1.00 0.00 0.00 179.01 178.21 3hgj h LEU 251 N 0.90 0.00 0.00 1.33 4.07 0.31 -3.46 115.31 118.46 3hgj h LEU 251 Ca 0.41 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.37 3hgj h LEU 251 Cb 0.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 3hgj h LEU 251 CO -0.17 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.80 3hgj n GLY 252 N -0.31 0.92 3.77 0.83 0.00 -0.78 -4.93 105.19 104.69 3hgj n GLY 252 Ca -0.00 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 3hgj n GLY 252 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hgj s VAL 253 N -2.00 2.53 -0.12 1.61 1.01 -0.66 -4.75 120.40 118.01 3hgj s VAL 253 Ca 0.00 0.52 0.19 0.00 0.00 0.00 0.00 61.98 62.70 3hgj s VAL 253 Cb 0.00 -3.33 -0.21 0.00 0.00 0.00 0.00 36.38 32.84 3hgj s VAL 253 CO 0.00 0.11 0.57 0.47 0.00 0.00 0.00 175.10 176.25 3hgj n ASP 254 N 0.53 0.39 -3.64 3.32 9.92 -0.16 -4.53 116.55 122.38 3hgj n ASP 254 Ca 0.01 0.17 -0.12 0.00 -0.53 0.00 0.00 54.79 54.31 3hgj n ASP 254 Cb 0.42 0.97 -0.07 0.00 -0.64 0.00 0.00 41.12 41.79 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 -5.26 -0.64 -0.24 0.64 0.20 -1.22 -4.04 118.68 108.10 3hgj s LEU 255 Ca -0.06 1.38 -0.10 0.00 0.69 0.00 0.00 54.13 56.04 3hgj s LEU 255 Cb 0.10 2.31 -0.05 0.00 -0.43 0.00 0.00 46.19 48.12 3hgj s LEU 255 CO 0.84 -0.23 0.14 -0.22 -0.29 0.00 0.00 176.35 176.59 3hgj s LEU 256 N 0.64 3.96 -0.42 -0.68 2.96 0.20 -2.00 118.68 123.35 3hgj s LEU 256 Ca -0.02 0.03 -0.18 0.00 -0.22 0.00 0.00 54.13 53.74 3hgj s LEU 256 Cb -0.05 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.59 3hgj s LEU 256 CO -0.04 0.04 0.46 -0.62 -1.32 0.00 0.00 176.35 174.87 3hgj s ASP 257 N 1.22 6.22 -0.70 3.68 3.68 0.45 -0.61 116.67 130.61 3hgj s ASP 257 Ca 0.07 -0.58 -0.16 0.00 2.13 0.00 0.00 52.55 54.00 3hgj s ASP 257 Cb -0.14 -2.24 0.16 0.00 -1.45 0.00 0.00 42.92 39.25 3hgj s ASP 257 CO 0.05 -0.59 0.71 0.00 0.13 0.00 0.00 175.17 175.47 3hgj n SER 259 N 5.12 0.79 -3.64 0.00 2.88 0.19 -4.21 113.62 114.76 3hgj n SER 259 Ca 0.02 -0.16 -0.08 0.00 -1.33 0.00 0.00 58.87 57.31 3hgj n SER 259 Cb 0.44 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.88 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 -0.34 -0.35 0.11 -3.46 1.04 -1.26 -0.92 113.70 108.52 3hgj s SER 260 Ca 0.00 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.16 3hgj s SER 260 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3hgj s SER 260 CO 0.00 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.84 3hgj n GLY 261 N -0.40 -2.02 1.50 7.32 0.00 0.02 -4.76 105.19 106.86 3hgj n GLY 261 Ca -0.09 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.29 3.07 0.32 -0.02 0.00 -1.26 -3.46 105.19 103.56 3hgj n GLY 262 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.85 1.61 2.07 -1.87 -3.29 116.25 112.16 3hgj h VAL 263 Ca 0.00 -0.58 -0.24 0.00 0.82 0.00 0.00 66.70 66.70 3hgj h VAL 263 Cb 0.00 0.19 -0.15 0.00 -1.52 0.00 0.00 31.29 29.81 3hgj h VAL 263 CO 0.00 0.26 -0.68 0.68 0.02 0.00 0.00 177.57 177.85 3hgj s VAL 264 N -5.85 0.64 0.01 2.57 -7.23 -1.26 -4.77 120.40 104.51 3hgj s VAL 264 Ca -0.13 -1.95 -0.18 0.00 -1.81 0.00 0.00 61.98 57.91 3hgj s VAL 264 Cb 0.15 -1.86 -0.27 0.00 0.56 0.00 0.00 36.38 34.96 3hgj s VAL 264 CO 0.81 -0.71 1.05 0.25 -0.31 0.00 0.00 175.10 176.19 3hgj h LEU 265 N 2.87 0.66 -7.40 1.32 5.85 -1.85 -3.41 115.31 113.34 3hgj h LEU 265 Ca -0.36 -0.83 -0.79 0.00 0.84 0.00 0.00 57.88 56.75 3hgj h LEU 265 Cb 1.18 -0.21 -0.25 0.00 0.37 0.00 0.00 40.66 41.75 3hgj h LEU 265 CO 0.64 1.42 0.79 0.54 -0.34 0.00 0.00 178.44 181.48 3hgj n ARG 266 N -4.03 3.69 -4.05 1.25 1.74 -1.26 -4.94 116.66 109.06 3hgj n ARG 266 Ca -0.12 -4.30 -0.08 0.00 -0.77 0.00 0.00 57.85 52.57 3hgj n ARG 266 Cb 0.83 -2.66 -0.10 0.00 -1.02 0.00 0.00 32.46 29.51 3hgj n ARG 266 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3hgj s VAL 267 N -0.93 0.21 -0.36 1.55 -7.23 -1.26 -5.06 120.40 107.33 3hgj s VAL 267 Ca 0.34 -1.44 -0.17 0.00 -1.81 0.00 0.00 61.98 58.90 3hgj s VAL 267 Cb -0.05 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.89 3hgj s VAL 267 CO -0.02 -0.78 0.44 -0.60 -0.31 0.00 0.00 175.10 173.83 3hgj s ARG 268 N -2.87 3.51 -0.26 4.82 6.06 -1.26 -5.04 118.95 123.92 3hgj s ARG 268 Ca -0.02 -0.36 -0.08 0.00 -2.50 0.00 0.00 55.73 52.76 3hgj s ARG 268 Cb 0.00 -3.83 -0.03 0.00 0.06 0.00 0.00 34.95 31.15 3hgj s ARG 268 CO -0.06 -0.63 0.09 0.42 -2.50 0.00 0.00 175.30 172.63 3hgj s ILE 269 N 2.20 4.44 -1.11 4.11 1.01 -1.26 -4.93 121.20 125.66 3hgj s ILE 269 Ca 0.15 -0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.43 3hgj s ILE 269 Cb -0.16 -3.11 -0.06 0.00 0.01 0.00 0.00 42.46 39.14 3hgj s ILE 269 CO 0.13 0.29 1.99 -0.81 0.00 0.00 0.00 174.94 176.54 3hgj n PRO 270 N 4.94 2.13 -1.72 2.79 -0.04 -1.26 -4.95 135.00 136.90 3hgj n PRO 270 Ca -0.16 -2.36 -0.42 0.00 -0.04 0.00 0.00 63.50 60.52 3hgj n PRO 270 Cb 0.51 -3.24 -0.03 0.00 -0.04 0.00 0.00 33.50 30.70 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 8.40 3.99 -3.52 1.53 4.77 -1.26 -4.85 117.00 126.05 3hgj n LEU 271 Ca 0.49 1.08 -0.09 0.00 -0.03 0.00 0.00 56.01 57.47 3hgj n LEU 271 Cb 0.42 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.92 3hgj n LEU 271 CO 0.90 0.14 0.73 0.00 -1.33 0.00 0.00 177.39 177.83 3hgj s ALA 272 N 0.94 -1.86 -0.07 -1.18 0.00 -1.26 -5.02 121.76 113.30 3hgj s ALA 272 Ca 0.73 1.16 -0.37 0.00 0.00 0.00 0.00 51.96 53.48 3hgj s ALA 272 Cb -0.52 0.19 -0.15 0.00 0.00 0.00 0.00 23.12 22.64 3hgj s ALA 272 CO 0.36 -0.62 1.60 -2.30 0.00 0.00 0.00 175.76 174.80 3hgj n PRO 273 N -0.06 1.41 -0.95 0.00 -0.02 -1.26 -1.29 135.00 132.83 3hgj n PRO 273 Ca -0.08 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 3hgj n PRO 273 Cb 0.61 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3hgj n PRO 273 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hgj n GLY 274 N 3.53 0.61 0.23 -1.23 0.00 -1.00 -4.92 105.19 102.41 3hgj n GLY 274 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 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 -1.34 0.75 116.94 112.80 3hgj h PHE 275 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 3hgj h PHE 275 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.17 3hgj h PHE 275 CO 0.00 0.00 -0.30 1.04 -2.00 0.00 0.00 178.31 177.05 3hgj n GLN 276 N -2.47 2.25 -0.25 6.09 6.02 -1.26 -4.47 117.38 123.29 3hgj n GLN 276 Ca -0.02 -0.53 0.06 0.00 -0.01 0.00 0.00 57.00 56.51 3hgj n GLN 276 Cb 0.17 -1.11 0.18 0.00 1.02 0.00 0.00 30.24 30.50 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 1.04 0.48 -0.86 5.09 2.07 -1.07 -1.60 116.25 121.40 3hgj h VAL 277 Ca 0.00 -0.08 0.25 0.00 0.82 0.00 0.00 66.70 67.68 3hgj h VAL 277 Cb 0.37 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 3hgj h VAL 277 CO 0.00 0.04 0.65 1.55 0.02 0.00 0.00 177.57 179.83 3hgj h PRO 278 N 0.24 0.00 0.01 1.57 0.13 -1.78 -0.28 132.00 131.89 3hgj h PRO 278 Ca 0.42 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.31 3hgj h PRO 278 Cb 0.73 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.87 3hgj h PRO 278 CO -0.53 0.00 -0.99 0.74 -0.23 0.00 0.00 178.00 176.99 3hgj h PHE 279 N 0.00 0.70 -0.39 1.56 0.04 -1.60 -0.60 116.94 116.64 3hgj h PHE 279 Ca 0.41 -0.39 -0.11 0.00 2.80 0.00 0.00 57.97 60.68 3hgj h PHE 279 Cb 1.70 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 39.76 3hgj h PHE 279 CO 0.00 1.22 -0.20 0.00 -0.60 0.00 0.00 178.31 178.73 3hgj h ALA 280 N 0.65 0.91 0.23 2.45 0.00 -1.22 -2.57 119.26 119.72 3hgj h ALA 280 Ca -0.10 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3hgj h ALA 280 Cb 1.63 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3hgj h ALA 280 CO 0.18 0.62 -0.11 0.22 0.00 0.00 0.00 179.25 180.16 3hgj h ASP 281 N 0.67 -0.27 -0.41 0.00 1.82 -0.21 -1.80 116.42 116.23 3hgj h ASP 281 Ca 0.10 -0.19 0.08 0.00 -0.39 0.00 0.00 57.03 56.62 3hgj h ASP 281 Cb 0.70 0.07 -0.07 0.00 0.68 0.00 0.00 39.33 40.71 3hgj h ASP 281 CO 0.05 0.06 -0.02 0.00 -1.61 0.00 0.00 179.24 177.72 3hgj h ALA 282 N 0.05 0.35 0.16 -0.78 0.00 -1.08 -1.46 119.26 116.50 3hgj h ALA 282 Ca -0.03 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3hgj h ALA 282 Cb 0.44 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hgj h ALA 282 CO 0.05 -0.41 -0.08 0.28 0.00 0.00 0.00 179.25 179.10 3hgj h VAL 283 N 0.08 0.94 -0.33 0.00 2.07 -1.46 -0.80 116.25 116.75 3hgj h VAL 283 Ca 0.20 -0.48 0.07 0.00 0.82 0.00 0.00 66.70 67.31 3hgj h VAL 283 Cb 0.29 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 3hgj h VAL 283 CO -0.36 0.11 -0.11 -0.09 0.02 0.00 0.00 177.57 177.14 3hgj h ARG 284 N -0.45 -0.04 0.00 1.57 2.43 -1.19 0.34 114.38 117.04 3hgj h ARG 284 Ca -0.02 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 3hgj h ARG 284 Cb 0.35 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 3hgj h ARG 284 CO 0.04 -0.03 -0.69 0.87 -1.51 0.00 0.00 179.97 178.65 3hgj h LYS 285 N -0.04 0.00 0.00 0.20 1.57 -1.21 -1.77 116.57 115.32 3hgj h LYS 285 Ca 0.17 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 3hgj h LYS 285 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 3hgj h LYS 285 CO -0.37 0.50 -2.01 0.54 -0.57 0.00 0.00 179.45 177.54 3hgj n ARG 286 N -3.18 0.70 -0.04 3.15 1.74 -0.31 -4.60 116.66 114.13 3hgj n ARG 286 Ca -0.00 -0.14 -0.02 0.00 -0.77 0.00 0.00 57.85 56.93 3hgj n ARG 286 Cb 0.77 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.64 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 -2.33 0.54 -0.83 1.55 0.31 0.12 -5.00 118.33 112.68 3hgj n VAL 287 Ca -0.11 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 3hgj n VAL 287 Cb 0.68 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.22 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 2.11 0.56 3.72 2.92 0.00 -0.66 -4.97 105.19 108.86 3hgj n GLY 288 Ca -0.13 -0.25 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 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 4.21 0.39 0.99 2.96 -1.25 -5.03 118.68 120.95 3hgj s LEU 289 Ca 0.00 0.37 -0.25 0.00 -0.22 0.00 0.00 54.13 54.03 3hgj s LEU 289 Cb 0.00 -2.25 -0.12 0.00 0.50 0.00 0.00 46.19 44.32 3hgj s LEU 289 CO 0.00 0.11 0.92 0.54 -1.32 0.00 0.00 176.35 176.60 3hgj n ARG 290 N 3.68 1.19 -4.31 1.98 1.74 -1.26 -3.77 116.66 115.91 3hgj n ARG 290 Ca -0.13 0.42 -0.18 0.00 -0.77 0.00 0.00 57.85 57.19 3hgj n ARG 290 Cb 0.52 -1.89 -0.10 0.00 -1.02 0.00 0.00 32.46 29.97 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 -1.26 1.56 -0.12 0.55 -4.23 -1.26 -0.63 115.64 110.25 3hgj s THR 291 Ca 0.62 -2.09 0.01 0.00 -1.18 0.00 0.00 61.69 59.06 3hgj s THR 291 Cb -0.60 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.32 3hgj s THR 291 CO 0.58 -0.59 -0.16 -0.83 -0.54 0.00 0.00 174.62 173.08 3hgj s GLY 292 N -3.12 1.48 -0.03 3.99 0.00 0.22 -1.21 107.32 108.65 3hgj s GLY 292 Ca 0.19 -0.92 -0.15 0.00 0.00 0.00 0.00 44.72 43.84 3hgj s GLY 292 CO 0.05 -0.27 0.40 0.00 0.00 0.00 0.00 173.10 173.28 3hgj s ALA 293 N 0.28 3.66 0.04 3.20 0.00 0.23 -1.49 121.76 127.67 3hgj s ALA 293 Ca -0.12 -0.25 -0.08 0.00 0.00 0.00 0.00 51.96 51.51 3hgj s ALA 293 Cb -0.16 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.55 3hgj s ALA 293 CO 0.06 0.38 0.17 0.54 0.00 0.00 0.00 175.76 176.92 3hgj s VAL 294 N -0.70 0.11 0.00 0.00 0.11 -1.26 -0.48 120.40 118.19 3hgj s VAL 294 Ca 0.23 -0.94 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 3hgj s VAL 294 Cb -0.16 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.79 3hgj s VAL 294 CO 0.12 -0.52 0.00 0.61 -3.33 0.00 0.00 175.10 171.98 3hgj n GLY 295 N 0.71 2.12 3.29 6.54 0.00 -1.26 -4.44 105.19 112.16 3hgj n GLY 295 Ca -0.19 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 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 -3.38 -4.53 0.99 4.77 -1.26 -2.36 117.00 111.22 3hgj n LEU 296 Ca 0.00 -0.49 -0.41 0.00 -0.03 0.00 0.00 56.01 55.08 3hgj n LEU 296 Cb 0.00 -2.76 -0.10 0.00 -2.33 0.00 0.00 43.42 38.23 3hgj n LEU 296 CO 0.00 0.52 -0.06 -0.63 -1.33 0.00 0.00 177.39 175.89 3hgj s ILE 297 N -3.29 5.24 0.00 -0.08 1.01 -1.26 -3.43 121.20 119.38 3hgj s ILE 297 Ca 0.38 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.89 3hgj s ILE 297 Cb -0.17 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.52 3hgj s ILE 297 CO 0.64 -0.07 0.17 0.35 0.00 0.00 0.00 174.94 176.03 3hgj n THR 298 N 5.17 0.00 -4.73 2.92 -2.24 -1.26 -4.78 114.28 109.36 3hgj n THR 298 Ca -0.11 -0.19 -0.24 0.00 -2.27 0.00 0.00 64.05 61.25 3hgj n THR 298 Cb 0.49 1.59 -0.15 0.00 -2.10 0.00 0.00 70.33 70.16 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 -0.02 1.24 0.32 4.28 2.01 -1.26 -5.03 115.64 117.17 3hgj s THR 299 Ca 0.00 -0.65 0.00 0.00 0.31 0.00 0.00 61.69 61.35 3hgj s THR 299 Cb 0.00 -1.04 0.27 0.00 0.01 0.00 0.00 72.50 71.74 3hgj s THR 299 CO 0.00 0.35 1.96 -0.65 -0.69 0.00 0.00 174.62 175.60 3hgj h PRO 300 N 5.89 0.98 -0.06 4.92 0.11 -1.97 -0.85 132.00 141.02 3hgj h PRO 300 Ca -0.35 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 65.49 3hgj h PRO 300 Cb 1.16 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3hgj h PRO 300 CO 0.48 0.65 -0.84 0.93 -0.21 0.00 0.00 178.00 179.01 3hgj h GLU 301 N 1.01 0.53 -0.23 1.05 3.07 -1.94 0.00 114.58 118.07 3hgj h GLU 301 Ca 0.31 -0.48 0.03 0.00 -0.50 0.00 0.00 59.36 58.72 3hgj h GLU 301 Cb 0.00 0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 3hgj h GLU 301 CO -0.09 1.12 0.04 0.37 -1.40 0.00 0.00 179.01 179.04 3hgj h GLN 302 N 0.34 0.12 -0.66 2.33 4.15 -1.92 -1.95 115.11 117.52 3hgj h GLN 302 Ca -0.06 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.37 3hgj h GLN 302 Cb 1.45 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 29.08 3hgj h GLN 302 CO 0.15 0.08 0.42 0.00 -1.93 0.00 0.00 178.83 177.55 3hgj h ALA 303 N 1.17 0.85 -0.65 3.38 0.00 -0.70 -2.50 119.26 120.81 3hgj h ALA 303 Ca 0.10 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3hgj h ALA 303 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hgj h ALA 303 CO -0.15 0.20 0.06 1.49 0.00 0.00 0.00 179.25 180.86 3hgj h GLU 304 N 0.83 1.11 -0.21 0.00 4.57 -0.96 -3.21 114.58 116.71 3hgj h GLU 304 Ca 0.26 -0.32 -0.09 0.00 -1.18 0.00 0.00 59.36 58.02 3hgj h GLU 304 Cb -0.02 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.45 3hgj h GLU 304 CO -0.09 1.04 -0.23 1.15 -1.18 0.00 0.00 179.01 179.70 3hgj h THR 305 N 1.02 1.33 0.00 0.32 2.02 -1.04 0.82 112.91 117.38 3hgj h THR 305 Ca 0.19 -1.41 -0.05 0.00 0.77 0.00 0.00 66.41 65.92 3hgj h THR 305 Cb 0.49 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 3hgj h THR 305 CO 0.02 0.43 -0.22 0.17 0.37 0.00 0.00 175.52 176.29 3hgj h LEU 306 N 0.20 0.00 0.01 2.58 8.10 -1.52 -0.24 115.31 124.44 3hgj h LEU 306 Ca 0.03 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.02 3hgj h LEU 306 Cb 0.79 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.01 3hgj h LEU 306 CO 0.06 0.22 -0.00 -0.07 -4.11 0.00 0.00 178.44 174.53 3hgj h LEU 307 N 0.00 -0.01 -1.23 0.17 3.38 -1.45 -0.39 115.31 115.77 3hgj h LEU 307 Ca -0.00 -0.42 0.17 0.00 0.09 0.00 0.00 57.88 57.72 3hgj h LEU 307 Cb 0.40 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 3hgj h LEU 307 CO 0.03 0.41 0.60 1.56 0.09 0.00 0.00 178.44 181.13 3hgj h GLN 308 N -0.43 0.65 0.00 1.13 1.08 -0.25 -0.88 115.11 116.41 3hgj h GLN 308 Ca -0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3hgj h GLN 308 Cb 0.43 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 3hgj h GLN 308 CO 0.00 0.43 0.00 0.00 -0.95 0.00 0.00 178.83 178.31 3hgj n ALA 309 N -2.42 2.46 -2.63 3.87 0.00 -0.16 -4.87 120.51 116.76 3hgj n ALA 309 Ca 0.20 -0.11 -0.17 0.00 0.00 0.00 0.00 53.44 53.36 3hgj n ALA 309 Cb 0.55 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.73 3hgj n ALA 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hgj n GLY 310 N 0.58 -0.30 0.09 0.00 0.00 -0.33 -4.94 105.19 100.28 3hgj n GLY 310 Ca 0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.64 0.00 -5.11 1.61 0.02 -1.25 -3.45 113.55 104.73 3hgj h SER 311 Ca -0.42 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 3hgj h SER 311 Cb 1.30 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.72 3hgj h SER 311 CO 0.46 0.84 -0.05 0.00 -1.14 0.00 0.00 176.83 176.95 3hgj s ALA 312 N -2.75 -0.80 -0.13 3.77 0.00 -1.25 -1.72 121.76 118.87 3hgj s ALA 312 Ca -0.01 -0.28 0.19 0.00 0.00 0.00 0.00 51.96 51.86 3hgj s ALA 312 Cb 0.09 0.81 -0.17 0.00 0.00 0.00 0.00 23.12 23.85 3hgj s ALA 312 CO 0.81 -0.74 0.67 -0.25 0.00 0.00 0.00 175.76 176.25 3hgj n ASP 313 N -0.29 0.54 -3.96 0.00 9.92 -0.35 -4.65 116.55 117.75 3hgj n ASP 313 Ca -0.11 0.23 -0.17 0.00 -0.53 0.00 0.00 54.79 54.21 3hgj n ASP 313 Cb 0.63 0.74 -0.15 0.00 -0.64 0.00 0.00 41.12 41.70 3hgj n ASP 313 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3hgj s LEU 314 N -5.39 1.92 -0.24 0.64 2.96 -0.88 -4.90 118.68 112.78 3hgj s LEU 314 Ca -0.05 -0.11 -0.07 0.00 -0.22 0.00 0.00 54.13 53.68 3hgj s LEU 314 Cb 0.10 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.42 3hgj s LEU 314 CO 0.83 0.06 0.07 -0.69 -1.32 0.00 0.00 176.35 175.30 3hgj s VAL 315 N -0.00 4.41 -0.14 1.68 1.01 0.34 -0.60 120.40 127.10 3hgj s VAL 315 Ca 0.00 -0.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 3hgj s VAL 315 Cb -0.04 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3hgj s VAL 315 CO -0.00 0.35 0.06 -0.76 0.00 0.00 0.00 175.10 174.75 3hgj s LEU 316 N 1.43 3.88 -0.11 3.92 1.02 0.37 -1.35 118.68 127.85 3hgj s LEU 316 Ca 0.06 0.19 0.02 0.00 0.02 0.00 0.00 54.13 54.41 3hgj s LEU 316 Cb -0.15 -1.95 -0.01 0.00 0.02 0.00 0.00 46.19 44.10 3hgj s LEU 316 CO 0.04 0.28 -0.16 -0.76 0.02 0.00 0.00 176.35 175.77 3hgj s LEU 317 N -0.28 2.55 0.00 1.79 1.43 0.25 -4.47 118.68 119.95 3hgj s LEU 317 Ca 0.08 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 3hgj s LEU 317 Cb -0.12 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.55 3hgj s LEU 317 CO 0.02 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.40 3hgj n GLY 318 N 3.31 0.25 0.35 -3.19 0.00 -1.26 -0.59 105.19 104.06 3hgj n GLY 318 Ca -0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 0.44 -0.23 1.61 3.08 -1.96 -0.24 114.38 117.08 3hgj h ARG 319 Ca 0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3hgj h ARG 319 Cb 0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3hgj h ARG 319 CO 0.00 0.29 -0.00 -0.24 -1.07 0.00 0.00 179.97 178.95 3hgj h VAL 320 N 0.45 1.15 0.00 2.04 3.04 -1.90 -1.65 116.25 119.37 3hgj h VAL 320 Ca 0.27 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3hgj h VAL 320 Cb 0.46 0.98 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 3hgj h VAL 320 CO -0.08 0.19 0.00 -0.07 -1.01 0.00 0.00 177.57 176.60 3hgj h LEU 321 N 0.33 0.00 -0.41 3.16 3.38 -1.24 0.51 115.31 121.03 3hgj h LEU 321 Ca 0.08 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.88 3hgj h LEU 321 Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3hgj h LEU 321 CO 0.01 0.00 -0.48 -0.07 0.09 0.00 0.00 178.44 177.99 3hgj h LEU 322 N 0.00 0.88 0.00 1.67 3.38 -1.29 -3.08 115.31 116.87 3hgj h LEU 322 Ca 0.00 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.53 3hgj h LEU 322 Cb 0.70 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3hgj h LEU 322 CO 0.00 1.21 -1.58 -2.11 0.09 0.00 0.00 178.44 176.05 3hgj n ARG 323 N -4.02 0.43 -3.31 1.13 1.85 -1.11 -4.66 116.66 106.98 3hgj n ARG 323 Ca -0.03 -0.11 -0.26 0.00 -1.00 0.00 0.00 57.85 56.45 3hgj n ARG 323 Cb 0.59 -1.53 -0.09 0.00 -1.05 0.00 0.00 32.46 30.38 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 -2.02 -0.12 0.32 2.89 -0.08 0.18 -4.99 116.55 112.72 3hgj n ASP 324 Ca -0.01 -2.53 0.19 0.00 -1.51 0.00 0.00 54.79 50.93 3hgj n ASP 324 Cb 0.49 -0.59 1.07 0.00 2.34 0.00 0.00 41.12 44.42 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 4.90 0.00 -0.51 -0.67 0.13 -1.73 -1.38 132.00 132.74 3hgj h PRO 325 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3hgj h PRO 325 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3hgj h PRO 325 CO 0.42 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.85 3hgj n TYR 326 N -3.42 1.64 -0.32 1.56 4.02 -1.26 -4.22 117.16 115.16 3hgj n TYR 326 Ca -0.03 -0.73 0.15 0.00 -0.01 0.00 0.00 57.90 57.28 3hgj n TYR 326 Cb 0.10 -0.40 0.34 0.00 -0.02 0.00 0.00 39.34 39.36 3hgj n TYR 326 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 176.86 176.20 3hgj h PHE 327 N 3.43 0.79 -0.13 -0.72 3.57 -1.46 -1.71 116.94 120.71 3hgj h PHE 327 Ca 0.00 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 3hgj h PHE 327 Cb 1.71 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.24 3hgj h PHE 327 CO 0.86 -0.01 -0.22 -1.35 -2.23 0.00 0.00 178.31 175.36 3hgj h PRO 328 N 0.46 0.23 -0.55 6.41 0.11 -1.80 0.32 132.00 137.18 3hgj h PRO 328 Ca 0.59 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.58 3hgj h PRO 328 Cb 1.14 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3hgj h PRO 328 CO -0.51 0.45 0.14 -0.07 -0.21 0.00 0.00 178.00 177.79 3hgj h LEU 329 N 0.21 0.83 -0.42 2.35 3.38 -0.93 -2.25 115.31 118.49 3hgj h LEU 329 Ca 0.04 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.61 3hgj h LEU 329 Cb 0.52 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hgj h LEU 329 CO 0.04 0.84 -0.53 -0.09 0.09 0.00 0.00 178.44 178.79 3hgj h ARG 330 N 0.78 0.72 -0.69 1.13 2.43 -1.24 -2.85 114.38 114.66 3hgj h ARG 330 Ca 0.17 -0.45 0.10 0.00 -0.81 0.00 0.00 59.98 59.00 3hgj h ARG 330 Cb 0.34 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 3hgj h ARG 330 CO 0.00 1.07 0.46 0.00 -1.51 0.00 0.00 179.97 179.99 3hgj h ALA 331 N 0.84 1.93 0.26 2.80 0.00 -0.25 -1.67 119.26 123.17 3hgj h ALA 331 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hgj h ALA 331 Cb 1.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.78 3hgj h ALA 331 CO 0.11 -0.08 -0.13 0.00 0.00 0.00 0.00 179.25 179.15 3hgj h ALA 332 N 1.65 -0.35 -0.82 0.00 0.00 -1.16 -2.67 119.26 115.92 3hgj h ALA 332 Ca 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 3hgj h ALA 332 Cb 0.54 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3hgj h ALA 332 CO -0.11 -0.69 0.44 0.87 0.00 0.00 0.00 179.25 179.77 3hgj h LYS 333 N -0.38 1.15 -0.97 0.00 1.57 -1.33 0.95 116.57 117.56 3hgj h LYS 333 Ca -0.04 -0.14 0.25 0.00 -1.87 0.00 0.00 60.65 58.85 3hgj h LYS 333 Cb 0.29 -0.22 -0.07 0.00 0.08 0.00 0.00 32.23 32.31 3hgj h LYS 333 CO 0.06 0.85 0.65 0.00 -0.57 0.00 0.00 179.45 180.44 3hgj h ALA 334 N 1.23 2.39 -0.37 3.86 0.00 -1.25 -2.48 119.26 122.65 3hgj h ALA 334 Ca 0.29 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3hgj h ALA 334 Cb 0.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hgj h ALA 334 CO -0.04 -0.72 0.00 1.28 0.00 0.00 0.00 179.25 179.77 3hgj n LEU 335 N -4.48 3.78 0.00 0.00 4.77 -0.46 -4.94 117.00 115.67 3hgj n LEU 335 Ca 0.22 -2.57 0.00 0.00 -0.03 0.00 0.00 56.01 53.62 3hgj n LEU 335 Cb 0.85 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3hgj n LEU 335 CO 0.31 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 3hgj n GLY 336 N 0.15 0.53 3.77 -0.72 0.00 -0.84 -4.70 105.19 103.38 3hgj n GLY 336 Ca 0.19 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 3hgj n GLY 336 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hgj s VAL 337 N -2.00 4.56 -0.02 1.61 1.01 0.20 -4.98 120.40 120.78 3hgj s VAL 337 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 3hgj s VAL 337 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 3hgj s VAL 337 CO 0.00 0.25 1.05 0.00 0.00 0.00 0.00 175.10 176.40 3hgj s ALA 338 N -1.27 3.29 0.47 5.51 0.00 -1.26 -2.78 121.76 125.71 3hgj s ALA 338 Ca 0.25 0.56 -0.24 0.00 0.00 0.00 0.00 51.96 52.54 3hgj s ALA 338 Cb -0.12 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 3hgj s ALA 338 CO 0.17 -0.41 1.32 -1.25 0.00 0.00 0.00 175.76 175.59 3hgj s PRO 339 N 1.38 3.62 -1.20 0.00 0.04 -1.26 -4.91 135.00 132.66 3hgj s PRO 339 Ca 0.53 2.17 -0.18 0.00 0.04 0.00 0.00 61.00 63.55 3hgj s PRO 339 Cb -0.22 -2.52 0.09 0.00 0.04 0.00 0.00 34.50 31.88 3hgj s PRO 339 CO 0.25 -0.78 1.59 -2.00 0.04 0.00 0.00 177.00 176.09 3hgj s GLU 340 N -2.57 3.89 -0.03 4.56 2.12 -1.26 -4.99 118.70 120.42 3hgj s GLU 340 Ca 0.63 -1.88 -0.16 0.00 0.36 0.00 0.00 54.97 53.92 3hgj s GLU 340 Cb -0.38 -5.38 -0.05 0.00 0.26 0.00 0.00 34.13 28.57 3hgj s GLU 340 CO 0.47 -2.14 0.44 0.08 -0.54 0.00 0.00 175.26 173.58 3hgj s VAL 341 N 3.86 5.04 0.28 3.70 1.01 -1.26 -4.88 120.40 128.16 3hgj s VAL 341 Ca 0.49 0.91 -0.29 0.00 0.00 0.00 0.00 61.98 63.09 3hgj s VAL 341 Cb 0.01 -3.76 -0.14 0.00 0.00 0.00 0.00 36.38 32.49 3hgj s VAL 341 CO 0.02 0.50 1.13 -2.65 0.00 0.00 0.00 175.10 174.10 3hgj n PRO 342 N 2.39 1.56 0.22 2.72 -0.02 -1.26 -4.82 135.00 135.78 3hgj n PRO 342 Ca -0.12 0.55 0.08 0.00 -2.02 0.00 0.00 63.50 62.00 3hgj n PRO 342 Cb 0.52 -2.01 0.49 0.00 -0.02 0.00 0.00 33.50 32.48 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 2.54 0.00 -0.12 0.52 0.13 -2.00 0.34 132.00 133.41 3hgj h PRO 343 Ca -0.42 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.75 3hgj h PRO 343 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 3hgj h PRO 343 CO 0.64 0.26 0.12 1.96 -0.23 0.00 0.00 178.00 180.75 3hgj h GLN 344 N 0.00 0.00 -0.18 0.86 7.50 -2.05 -2.53 115.11 118.70 3hgj h GLN 344 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3hgj h GLN 344 Cb 0.64 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.17 3hgj h GLN 344 CO 0.03 0.00 0.00 0.66 -1.50 0.00 0.00 178.83 178.02 3hgj n TYR 345 N -3.93 0.21 -0.22 2.96 4.01 0.12 -4.68 117.16 115.63 3hgj n TYR 345 Ca -0.00 -0.12 0.02 0.00 -0.16 0.00 0.00 57.90 57.64 3hgj n TYR 345 Cb 0.23 -0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.39 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 4.15 0.37 0.00 -0.72 5.75 -1.13 0.04 115.11 123.57 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 0.91 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.38 3hgj h GLN 346 CO 0.00 0.24 0.00 0.54 -2.65 0.00 0.00 178.83 176.96 3hgj n ARG 347 N -5.03 0.03 0.00 1.69 5.12 -1.26 -2.42 116.66 114.79 3hgj n ARG 347 Ca 0.10 0.28 0.13 0.00 -1.93 0.00 0.00 57.85 56.43 3hgj n ARG 347 Cb 0.33 -1.50 0.28 0.00 -1.16 0.00 0.00 32.46 30.41 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 -0.33 -0.33 0.00 -0.13 0.00 0.00 -5.27 105.19 99.13 3hgj n GLY 348 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3hgj n GLY 348 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01