#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hx4 s HIS 31 N 0.00 2.60 -1.10 1.24 3.76 -1.26 -4.91 115.29 115.62 3hx4 s HIS 31 Ca 0.00 1.39 -0.11 0.00 -0.15 0.00 0.00 55.06 56.19 3hx4 s HIS 31 Cb 0.00 -3.71 0.25 0.00 1.11 0.00 0.00 32.58 30.23 3hx4 s HIS 31 CO 0.00 -2.41 1.14 -0.51 -0.85 0.00 0.00 174.74 172.11 3hx4 s LEU 32 N -2.91 6.11 -0.36 0.89 1.43 -1.26 -4.99 118.68 117.60 3hx4 s LEU 32 Ca 0.63 -3.34 -0.11 0.00 -1.03 0.00 0.00 54.13 50.27 3hx4 s LEU 32 Cb -0.38 -2.25 0.01 0.00 0.03 0.00 0.00 46.19 43.60 3hx4 s LEU 32 CO 0.48 -0.43 0.21 -1.00 0.23 0.00 0.00 176.35 175.84 3hx4 s HIS 33 N -0.47 3.22 0.10 0.29 3.76 -1.26 -5.02 115.29 115.92 3hx4 s HIS 33 Ca 0.32 -0.73 -0.28 0.00 -0.15 0.00 0.00 55.06 54.21 3hx4 s HIS 33 Cb -0.08 -2.44 -0.06 0.00 1.11 0.00 0.00 32.58 31.11 3hx4 s HIS 33 CO -0.07 -0.56 0.90 0.00 -0.85 0.00 0.00 174.74 174.16 3hx4 s ALA 34 N 1.60 3.29 0.07 -1.40 0.00 -1.05 -4.82 121.76 119.45 3hx4 s ALA 34 Ca 0.03 0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.51 3hx4 s ALA 34 Cb -0.18 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 3hx4 s ALA 34 CO 0.07 0.03 -0.10 0.95 0.00 0.00 0.00 175.76 176.71 3hx4 s THR 35 N -0.13 0.83 0.40 0.00 -4.23 -1.26 -2.95 115.64 108.30 3hx4 s THR 35 Ca 0.44 -1.37 0.07 0.00 -1.18 0.00 0.00 61.69 59.65 3hx4 s THR 35 Cb -0.23 -1.04 0.28 0.00 1.34 0.00 0.00 72.50 72.86 3hx4 s THR 35 CO 0.28 -0.43 2.02 -0.65 -0.54 0.00 0.00 174.62 175.30 3hx4 h PRO 36 N 4.05 0.59 -0.51 3.99 0.11 -1.91 -2.80 132.00 135.52 3hx4 h PRO 36 Ca -0.38 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.83 3hx4 h PRO 36 Cb 1.19 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 3hx4 h PRO 36 CO 0.46 0.39 0.36 0.78 -0.21 0.00 0.00 178.00 179.79 3hx4 h GLY 37 N 0.61 0.12 2.00 -0.55 0.00 -1.93 -2.45 103.07 100.87 3hx4 h GLY 37 Ca 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3hx4 h GLY 37 CO -0.05 0.01 0.00 0.00 0.00 0.00 0.00 176.54 176.50 3hx4 h MET 38 N 0.08 0.00 0.00 4.80 -0.00 -1.80 -2.69 114.93 115.32 3hx4 h MET 38 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.94 3hx4 h MET 38 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.47 3hx4 h MET 38 CO -0.02 0.00 -0.43 0.74 -0.00 0.00 0.00 176.91 177.20 3hx4 h PHE 39 N 0.00 0.00 -0.61 -0.10 -1.00 -1.62 -3.41 116.94 110.19 3hx4 h PHE 39 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3hx4 h PHE 39 Cb 0.37 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.90 3hx4 h PHE 39 CO 0.00 0.00 0.34 0.28 -1.61 0.00 0.00 178.31 177.32 3hx4 h VAL 40 N 0.00 1.20 -0.38 -0.55 2.07 -1.63 -2.82 116.25 114.15 3hx4 h VAL 40 Ca 0.00 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3hx4 h VAL 40 Cb 0.86 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3hx4 h VAL 40 CO 0.00 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.81 3hx4 n GLN 41 N -4.56 3.27 0.07 1.57 6.02 -1.26 -1.42 117.38 121.07 3hx4 n GLN 41 Ca 0.04 -2.71 -0.07 0.00 -0.01 0.00 0.00 57.00 54.25 3hx4 n GLN 41 Cb 0.09 -1.77 -0.08 0.00 1.02 0.00 0.00 30.24 29.50 3hx4 n GLN 41 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3hx4 h HIS 42 N 2.46 0.05 -2.46 1.08 2.76 -1.72 -3.46 115.15 113.86 3hx4 h HIS 42 Ca 0.00 -0.03 -0.54 0.00 -2.20 0.00 0.00 60.37 57.60 3hx4 h HIS 42 Cb 1.35 -0.00 0.04 0.00 1.55 0.00 0.00 27.41 30.35 3hx4 h HIS 42 CO 0.55 0.97 1.06 0.45 -1.30 0.00 0.00 177.93 179.66 3hx4 n SER 43 N -3.43 3.90 -0.01 3.26 2.88 -1.26 -4.89 113.62 114.07 3hx4 n SER 43 Ca -0.01 1.01 0.14 0.00 -1.33 0.00 0.00 58.87 58.68 3hx4 n SER 43 Cb 0.90 -1.52 0.61 0.00 -0.75 0.00 0.00 64.21 63.44 3hx4 n SER 43 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3hx4 n THR 44 N 4.50 0.00 -1.99 2.46 -1.04 -1.26 -4.92 114.28 112.02 3hx4 n THR 44 Ca 0.18 -0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.89 3hx4 n THR 44 Cb 0.35 -0.40 0.05 0.00 -1.82 0.00 0.00 70.33 68.51 3hx4 n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hx4 s ALA 45 N -2.89 2.97 0.37 2.41 0.00 -1.26 -5.08 121.76 118.28 3hx4 s ALA 45 Ca 0.17 -0.44 -0.10 0.00 0.00 0.00 0.00 51.96 51.60 3hx4 s ALA 45 Cb 0.19 -2.93 -0.06 0.00 0.00 0.00 0.00 23.12 20.32 3hx4 s ALA 45 CO 0.53 -1.09 0.72 -1.50 0.00 0.00 0.00 175.76 174.42 3hx4 s ILE 46 N -3.29 4.83 0.11 0.00 2.07 -1.26 -5.02 121.20 118.65 3hx4 s ILE 46 Ca 0.57 0.52 -0.22 0.00 -1.41 0.00 0.00 60.65 60.12 3hx4 s ILE 46 Cb -0.11 -3.72 -0.07 0.00 0.13 0.00 0.00 42.46 38.69 3hx4 s ILE 46 CO 0.50 -0.45 1.71 0.15 -1.91 0.00 0.00 174.94 174.94 3hx4 h PHE 47 N 1.44 -0.15 0.00 3.50 3.57 -1.97 -2.30 116.94 121.03 3hx4 h PHE 47 Ca -0.47 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.04 3hx4 h PHE 47 Cb 1.19 0.08 0.00 0.00 2.79 0.00 0.00 35.95 40.01 3hx4 h PHE 47 CO 0.60 -0.10 0.00 0.66 -2.23 0.00 0.00 178.31 177.24 3hx4 h SER 48 N -0.07 0.00 0.52 0.41 4.64 -1.96 -0.11 113.55 116.98 3hx4 h SER 48 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3hx4 h SER 48 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3hx4 h SER 48 CO -0.13 0.00 -0.26 0.47 -0.87 0.00 0.00 176.83 176.03 3hx4 n ASP 49 N -2.36 0.48 -0.01 4.97 10.43 -0.87 -4.20 116.55 124.99 3hx4 n ASP 49 Ca -0.00 -0.30 0.01 0.00 2.57 0.00 0.00 54.79 57.07 3hx4 n ASP 49 Cb 0.11 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.03 3hx4 n ASP 49 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3hx4 n ARG 50 N -1.22 1.10 -4.34 -1.24 5.12 -0.15 -4.91 116.66 111.02 3hx4 n ARG 50 Ca 0.09 -0.04 -0.18 0.00 -1.93 0.00 0.00 57.85 55.79 3hx4 n ARG 50 Cb 0.32 -1.14 -0.14 0.00 -1.16 0.00 0.00 32.46 30.34 3hx4 n ARG 50 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3hx4 s TYR 51 N -2.32 0.84 -0.19 -1.55 1.51 -0.61 -0.22 117.35 114.81 3hx4 s TYR 51 Ca -0.02 -0.20 -0.03 0.00 -1.01 0.00 0.00 57.07 55.80 3hx4 s TYR 51 Cb 0.03 -0.53 -0.02 0.00 -0.11 0.00 0.00 41.96 41.33 3hx4 s TYR 51 CO 0.24 -0.01 -0.05 0.21 -1.11 0.00 0.00 175.55 174.83 3hx4 s LYS 52 N -0.44 3.47 0.23 -0.62 2.47 -0.23 -4.54 119.74 120.09 3hx4 s LYS 52 Ca 0.02 -0.60 -0.30 0.00 -1.56 0.00 0.00 55.97 53.54 3hx4 s LYS 52 Cb -0.05 -2.93 -0.09 0.00 -1.46 0.00 0.00 37.83 33.30 3hx4 s LYS 52 CO -0.00 -0.01 1.09 0.20 0.16 0.00 0.00 175.35 176.79 3hx4 s GLY 53 N 0.99 2.97 0.00 5.54 0.00 -1.26 -0.55 107.32 115.01 3hx4 s GLY 53 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.56 3hx4 s GLY 53 CO 0.00 1.54 0.00 -1.06 0.00 0.00 0.00 173.10 173.59 3hx4 n GLN 54 N 1.75 0.00 -4.60 2.90 6.02 0.81 -4.93 117.38 119.33 3hx4 n GLN 54 Ca 0.01 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.72 3hx4 n GLN 54 Cb 0.46 0.00 -0.11 0.00 1.02 0.00 0.00 30.24 31.61 3hx4 n GLN 54 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3hx4 s ARG 55 N 0.00 1.93 0.54 -1.09 0.52 -1.20 -4.98 118.95 114.66 3hx4 s ARG 55 Ca 0.00 -2.10 -0.19 0.00 -0.52 0.00 0.00 55.73 52.92 3hx4 s ARG 55 Cb 0.00 -1.52 -0.06 0.00 0.52 0.00 0.00 34.95 33.89 3hx4 s ARG 55 CO 0.00 -0.09 1.10 0.14 0.02 0.00 0.00 175.30 176.47 3hx4 s VAL 56 N -2.80 3.40 -0.05 3.52 -7.23 -1.26 -0.78 120.40 115.20 3hx4 s VAL 56 Ca 0.34 0.85 0.04 0.00 -1.81 0.00 0.00 61.98 61.39 3hx4 s VAL 56 Cb 0.09 -3.33 -0.00 0.00 0.56 0.00 0.00 36.38 33.70 3hx4 s VAL 56 CO 0.17 -0.21 -0.16 -0.22 -0.31 0.00 0.00 175.10 174.36 3hx4 s LEU 57 N -3.81 1.87 0.00 1.32 2.96 -0.99 -4.71 118.68 115.33 3hx4 s LEU 57 Ca 0.70 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 54.27 3hx4 s LEU 57 Cb -0.21 -0.93 0.00 0.00 0.50 0.00 0.00 46.19 45.55 3hx4 s LEU 57 CO 0.26 0.13 0.00 0.61 -1.32 0.00 0.00 176.35 176.03 3hx4 n GLY 58 N 3.27 -2.45 1.04 7.98 0.00 -1.26 -4.70 105.19 109.06 3hx4 n GLY 58 Ca -0.19 -1.73 0.08 0.00 0.00 0.00 0.00 46.02 44.18 3hx4 n GLY 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hx4 n LYS 59 N -0.25 3.23 -0.50 1.61 5.02 -1.26 -5.02 118.16 121.00 3hx4 n LYS 59 Ca 0.00 -2.66 0.00 0.00 -2.02 0.00 0.00 58.31 53.63 3hx4 n LYS 59 Cb 0.00 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 3hx4 n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hx4 n GLY 60 N 0.17 0.56 3.65 0.72 0.00 -1.26 -5.00 105.19 104.03 3hx4 n GLY 60 Ca 0.20 -1.92 -0.50 0.00 0.00 0.00 0.00 46.02 43.80 3hx4 n GLY 60 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hx4 n SER 61 N -2.73 2.56 -4.70 1.61 2.88 -1.26 -4.81 113.62 107.18 3hx4 n SER 61 Ca 0.00 1.07 -0.43 0.00 -1.33 0.00 0.00 58.87 58.18 3hx4 n SER 61 Cb 0.00 -1.29 -0.03 0.00 -0.75 0.00 0.00 64.21 62.13 3hx4 n SER 61 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3hx4 n PHE 62 N 4.00 2.62 -0.12 0.66 7.35 -1.26 -2.96 117.46 127.75 3hx4 n PHE 62 Ca 0.20 0.04 0.00 0.00 -0.76 0.00 0.00 57.45 56.93 3hx4 n PHE 62 Cb 0.23 -2.66 0.00 0.00 0.35 0.00 0.00 39.48 37.40 3hx4 n PHE 62 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hx4 n GLY 63 N 3.93 1.22 0.16 7.13 0.00 -1.26 -4.92 105.19 111.46 3hx4 n GLY 63 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 3hx4 n GLY 63 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hx4 h GLU 64 N 3.33 0.37 -5.52 1.61 5.08 -1.82 -3.44 114.58 114.18 3hx4 h GLU 64 Ca 0.00 -0.35 -0.68 0.00 -1.00 0.00 0.00 59.36 57.32 3hx4 h GLU 64 Cb 0.00 0.09 -0.32 0.00 0.50 0.00 0.00 28.75 29.02 3hx4 h GLU 64 CO 0.00 1.02 -0.87 0.08 -1.00 0.00 0.00 179.01 178.24 3hx4 s VAL 65 N -3.40 2.13 -0.03 3.13 1.01 -1.26 0.10 120.40 122.09 3hx4 s VAL 65 Ca -0.05 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 60.94 3hx4 s VAL 65 Cb 0.10 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.68 3hx4 s VAL 65 CO 0.85 0.56 -0.07 -0.63 0.00 0.00 0.00 175.10 175.81 3hx4 s ILE 66 N 0.20 0.68 -0.06 2.22 1.01 0.97 -2.36 121.20 123.86 3hx4 s ILE 66 Ca -0.14 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 59.93 3hx4 s ILE 66 Cb -0.17 -0.62 -0.02 0.00 0.01 0.00 0.00 42.46 41.66 3hx4 s ILE 66 CO 0.07 0.23 1.08 -0.22 0.00 0.00 0.00 174.94 176.10 3hx4 s LEU 67 N 0.35 4.28 0.10 2.97 2.96 0.04 0.13 118.68 129.52 3hx4 s LEU 67 Ca -0.05 1.68 0.05 0.00 -0.22 0.00 0.00 54.13 55.58 3hx4 s LEU 67 Cb -0.10 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.00 3hx4 s LEU 67 CO 0.00 -0.47 -0.13 0.00 -1.32 0.00 0.00 176.35 174.44 3hx4 s LYS 69 N -2.55 3.60 0.03 0.00 2.20 0.29 -0.30 119.74 123.01 3hx4 s LYS 69 Ca 0.06 -0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 3hx4 s LYS 69 Cb -0.05 -3.03 -0.08 0.00 -1.51 0.00 0.00 37.83 33.16 3hx4 s LYS 69 CO 0.02 0.42 1.79 0.34 -0.36 0.00 0.00 175.35 177.56 3hx4 s ASP 70 N -0.08 6.54 0.44 1.43 2.15 0.11 -1.06 116.67 126.20 3hx4 s ASP 70 Ca 0.05 2.51 0.10 0.00 0.43 0.00 0.00 52.55 55.65 3hx4 s ASP 70 Cb -0.12 -2.54 0.96 0.00 -0.30 0.00 0.00 42.92 40.92 3hx4 s ASP 70 CO 0.02 -0.97 2.05 0.11 -0.17 0.00 0.00 175.17 176.20 3hx4 h LYS 71 N 9.52 0.30 0.04 4.34 1.57 -0.94 -0.12 116.57 131.27 3hx4 h LYS 71 Ca -0.45 -0.03 -0.27 0.00 -1.87 0.00 0.00 60.65 58.04 3hx4 h LYS 71 Cb 1.21 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 3hx4 h LYS 71 CO 0.94 0.25 -1.44 0.82 -0.57 0.00 0.00 179.45 179.45 3hx4 h ILE 72 N 0.30 0.86 0.00 1.86 2.04 -1.90 -3.41 117.51 117.25 3hx4 h ILE 72 Ca 0.08 -2.23 -0.08 0.00 1.00 0.00 0.00 64.86 63.63 3hx4 h ILE 72 Cb 0.07 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 3hx4 h ILE 72 CO -0.01 0.48 -1.21 0.35 0.00 0.00 0.00 178.15 177.76 3hx4 n THR 73 N -4.17 0.87 0.00 -0.27 -2.24 -1.22 -4.85 114.28 102.39 3hx4 n THR 73 Ca -0.32 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 3hx4 n THR 73 Cb 0.78 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3hx4 n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hx4 n GLY 74 N 1.28 1.89 3.70 3.38 0.00 -0.06 -5.00 105.19 110.37 3hx4 n GLY 74 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3hx4 n GLY 74 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hx4 n GLN 75 N -2.00 2.74 -2.92 1.61 7.27 -1.26 -4.44 117.38 118.38 3hx4 n GLN 75 Ca 0.00 0.99 -0.37 0.00 0.07 0.00 0.00 57.00 57.69 3hx4 n GLN 75 Cb 0.00 -2.86 -0.06 0.00 2.41 0.00 0.00 30.24 29.72 3hx4 n GLN 75 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3hx4 s GLU 76 N 2.16 4.46 0.10 3.69 2.02 -1.26 0.08 118.70 129.96 3hx4 s GLU 76 Ca 0.80 1.14 -0.03 0.00 0.02 0.00 0.00 54.97 56.90 3hx4 s GLU 76 Cb -0.51 -2.89 -0.03 0.00 0.10 0.00 0.00 34.13 30.80 3hx4 s GLU 76 CO 0.36 0.36 0.08 0.00 0.02 0.00 0.00 175.26 176.08 3hx4 s ALA 78 N -3.97 3.29 -0.23 0.00 0.00 0.60 -1.06 121.76 120.39 3hx4 s ALA 78 Ca 0.15 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 3hx4 s ALA 78 Cb 0.07 -2.13 0.01 0.00 0.00 0.00 0.00 23.12 21.07 3hx4 s ALA 78 CO -0.04 -0.36 -0.08 0.08 0.00 0.00 0.00 175.76 175.36 3hx4 s VAL 79 N 1.38 2.92 -0.24 0.00 1.01 0.12 -0.06 120.40 125.54 3hx4 s VAL 79 Ca 0.06 -0.80 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 3hx4 s VAL 79 Cb -0.15 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 3hx4 s VAL 79 CO 0.05 0.35 0.62 -0.75 0.00 0.00 0.00 175.10 175.36 3hx4 s LYS 80 N 1.38 4.14 -0.24 2.72 2.20 0.36 -0.02 119.74 130.29 3hx4 s LYS 80 Ca 0.03 0.55 -0.06 0.00 -0.36 0.00 0.00 55.97 56.14 3hx4 s LYS 80 Cb -0.15 -3.63 -0.02 0.00 -1.51 0.00 0.00 37.83 32.53 3hx4 s LYS 80 CO -0.06 -0.35 0.01 0.08 -0.36 0.00 0.00 175.35 174.68 3hx4 s VAL 81 N 2.29 3.84 -0.14 4.02 1.01 0.11 -0.53 120.40 130.99 3hx4 s VAL 81 Ca 0.26 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.92 3hx4 s VAL 81 Cb -0.16 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.45 3hx4 s VAL 81 CO 0.09 0.38 -0.17 -0.63 0.00 0.00 0.00 175.10 174.76 3hx4 s ILE 82 N 1.55 2.50 0.30 2.22 1.01 0.27 -4.74 121.20 124.30 3hx4 s ILE 82 Ca 0.06 -0.83 -0.25 0.00 0.00 0.00 0.00 60.65 59.62 3hx4 s ILE 82 Cb -0.15 -2.03 -0.10 0.00 0.01 0.00 0.00 42.46 40.19 3hx4 s ILE 82 CO 0.00 0.53 0.91 -0.94 0.00 0.00 0.00 174.94 175.44 3hx4 s SER 83 N 0.74 7.31 0.10 3.58 1.04 -1.26 0.99 113.70 126.21 3hx4 s SER 83 Ca -0.07 1.77 0.08 0.00 0.48 0.00 0.00 55.95 58.21 3hx4 s SER 83 Cb -0.16 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.37 3hx4 s SER 83 CO 0.01 -0.03 -0.13 -1.59 0.98 0.00 0.00 173.24 172.47 3hx4 s LYS 84 N -1.97 2.02 0.00 4.02 -2.85 -0.19 -4.89 119.74 115.88 3hx4 s LYS 84 Ca 0.48 -1.06 0.00 0.00 -1.00 0.00 0.00 55.97 54.39 3hx4 s LYS 84 Cb -0.19 -2.24 0.00 0.00 -2.06 0.00 0.00 37.83 33.34 3hx4 s LYS 84 CO 0.24 0.50 0.00 -3.47 0.10 0.00 0.00 175.35 172.72 3hx4 n ASP 92 N 0.81 0.00 -0.04 0.03 2.03 -1.26 -5.07 116.55 113.05 3hx4 n ASP 92 Ca -0.14 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.04 3hx4 n ASP 92 Cb 0.52 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.82 3hx4 n ASP 92 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3hx4 h LYS 93 N 0.00 -0.03 -0.45 -0.67 1.79 -2.01 -3.29 116.57 111.91 3hx4 h LYS 93 Ca 0.00 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.40 3hx4 h LYS 93 Cb 0.00 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.64 3hx4 h LYS 93 CO 0.00 0.71 -0.01 1.49 -1.08 0.00 0.00 179.45 180.56 3hx4 h GLU 94 N -0.84 0.81 0.00 3.15 4.81 -2.06 -3.22 114.58 117.23 3hx4 h GLU 94 Ca -0.00 -0.26 -0.09 0.00 -0.13 0.00 0.00 59.36 58.87 3hx4 h GLU 94 Cb 0.75 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 3hx4 h GLU 94 CO 0.00 0.87 -0.44 0.77 -0.73 0.00 0.00 179.01 179.49 3hx4 h SER 95 N 0.66 0.00 0.23 1.04 0.02 -2.00 -2.64 113.55 110.86 3hx4 h SER 95 Ca 0.13 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.93 3hx4 h SER 95 Cb 0.51 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 3hx4 h SER 95 CO 0.03 0.44 -0.59 0.25 -1.14 0.00 0.00 176.83 175.82 3hx4 h LEU 96 N 0.00 0.41 -0.79 5.07 5.85 -1.62 -1.84 115.31 122.39 3hx4 h LEU 96 Ca -0.00 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.36 3hx4 h LEU 96 Cb 0.92 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3hx4 h LEU 96 CO 0.06 0.90 -0.49 -0.07 -0.34 0.00 0.00 178.44 178.50 3hx4 h LEU 97 N 0.27 0.31 -0.07 2.25 4.07 -1.52 -1.84 115.31 118.78 3hx4 h LEU 97 Ca -0.00 -0.15 -0.00 0.00 0.08 0.00 0.00 57.88 57.80 3hx4 h LEU 97 Cb 1.11 -0.09 -0.00 0.00 1.08 0.00 0.00 40.66 42.75 3hx4 h LEU 97 CO 0.10 0.75 0.03 0.03 -1.08 0.00 0.00 178.44 178.27 3hx4 h ARG 98 N 0.23 0.10 -0.58 1.13 3.08 -1.26 -1.26 114.38 115.83 3hx4 h ARG 98 Ca 0.01 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.13 3hx4 h ARG 98 Cb 0.94 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.91 3hx4 h ARG 98 CO 0.08 0.19 0.20 1.49 -1.07 0.00 0.00 179.97 180.87 3hx4 h GLU 99 N -0.02 0.37 -0.52 0.04 4.81 -1.25 -1.49 114.58 116.53 3hx4 h GLU 99 Ca 0.02 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3hx4 h GLU 99 Cb 0.13 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3hx4 h GLU 99 CO -0.00 0.24 0.01 0.28 -0.73 0.00 0.00 179.01 178.81 3hx4 h VAL 100 N 0.38 1.26 -0.14 0.32 2.07 -1.21 -1.28 116.25 117.66 3hx4 h VAL 100 Ca 0.29 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3hx4 h VAL 100 Cb 0.35 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3hx4 h VAL 100 CO -0.30 0.38 -0.15 1.56 0.02 0.00 0.00 177.57 179.09 3hx4 h GLN 101 N 0.78 0.22 0.02 1.57 1.08 -0.71 -0.79 115.11 117.28 3hx4 h GLN 101 Ca 0.15 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3hx4 h GLN 101 Cb 0.51 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3hx4 h GLN 101 CO 0.03 0.37 -0.01 -0.07 -0.95 0.00 0.00 178.83 178.20 3hx4 h LEU 102 N 0.21 -0.02 -1.53 1.46 3.38 -0.97 -3.18 115.31 114.65 3hx4 h LEU 102 Ca 0.04 -0.60 0.03 0.00 0.09 0.00 0.00 57.88 57.44 3hx4 h LEU 102 Cb 0.39 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 3hx4 h LEU 102 CO 0.02 0.61 0.36 -0.07 0.09 0.00 0.00 178.44 179.45 3hx4 h LEU 103 N -0.67 0.52 -1.63 1.67 3.38 -1.07 -1.13 115.31 116.38 3hx4 h LEU 103 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3hx4 h LEU 103 Cb 0.63 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3hx4 h LEU 103 CO 0.00 0.36 0.12 0.11 0.09 0.00 0.00 178.44 179.13 3hx4 h LYS 104 N 0.61 0.36 0.00 1.13 1.57 -1.20 -2.49 116.57 116.55 3hx4 h LYS 104 Ca 0.22 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3hx4 h LYS 104 Cb 0.11 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3hx4 h LYS 104 CO -0.06 0.29 0.00 1.04 -0.57 0.00 0.00 179.45 180.15 3hx4 n GLN 105 N -4.44 0.06 -4.20 3.15 6.02 -0.43 -3.60 117.38 113.93 3hx4 n GLN 105 Ca 0.01 0.05 -0.34 0.00 -0.01 0.00 0.00 57.00 56.70 3hx4 n GLN 105 Cb 0.11 -1.57 -0.13 0.00 1.02 0.00 0.00 30.24 29.68 3hx4 n GLN 105 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hx4 s LEU 106 N -3.34 3.16 -0.33 1.08 1.43 -0.94 -5.05 118.68 114.69 3hx4 s LEU 106 Ca 0.13 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 3hx4 s LEU 106 Cb 0.18 -1.78 0.11 0.00 0.03 0.00 0.00 46.19 44.72 3hx4 s LEU 106 CO 0.54 0.09 0.14 -0.62 0.23 0.00 0.00 176.35 176.74 3hx4 s ASP 107 N 0.83 3.70 -0.10 2.29 2.15 -1.26 -4.95 116.67 119.33 3hx4 s ASP 107 Ca -0.00 -1.78 -0.10 0.00 0.43 0.00 0.00 52.55 51.09 3hx4 s ASP 107 Cb -0.14 -0.70 0.03 0.00 -0.30 0.00 0.00 42.92 41.81 3hx4 s ASP 107 CO 0.02 -0.38 0.29 -2.28 -0.17 0.00 0.00 175.17 172.64 3hx4 s HIS 108 N 1.47 -0.30 0.31 -5.34 2.46 -1.26 -4.42 115.29 108.21 3hx4 s HIS 108 Ca 0.12 0.71 0.35 0.00 0.47 0.00 0.00 55.06 56.72 3hx4 s HIS 108 Cb -0.19 0.10 1.92 0.00 -0.13 0.00 0.00 32.58 34.28 3hx4 s HIS 108 CO -0.20 -0.17 2.09 -1.35 -2.47 0.00 0.00 174.74 172.63 3hx4 h PRO 109 N 5.53 0.00 -0.33 2.88 0.11 -1.97 -1.71 132.00 136.51 3hx4 h PRO 109 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3hx4 h PRO 109 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hx4 h PRO 109 CO 0.33 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.21 3hx4 n ASN 110 N -2.75 3.52 -4.36 -2.05 4.13 -1.26 -4.85 115.26 107.63 3hx4 n ASN 110 Ca -0.02 -2.50 -0.32 0.00 1.68 0.00 0.00 54.58 53.42 3hx4 n ASN 110 Cb 0.06 -0.40 -0.15 0.00 -1.54 0.00 0.00 39.78 37.75 3hx4 n ASN 110 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3hx4 s ILE 111 N -1.90 2.50 0.28 2.41 1.01 -0.64 -0.52 121.20 124.33 3hx4 s ILE 111 Ca 0.34 -0.92 -0.29 0.00 0.00 0.00 0.00 60.65 59.78 3hx4 s ILE 111 Cb 0.24 -1.94 -0.14 0.00 0.01 0.00 0.00 42.46 40.63 3hx4 s ILE 111 CO 0.13 0.58 1.14 1.15 0.00 0.00 0.00 174.94 177.94 3hx4 n MET 112 N 2.66 1.57 -3.39 2.79 0.00 -0.46 -4.67 117.12 115.61 3hx4 n MET 112 Ca -0.17 0.55 -0.37 0.00 0.00 0.00 0.00 57.70 57.71 3hx4 n MET 112 Cb 0.52 -2.02 -0.06 0.00 0.00 0.00 0.00 33.22 31.65 3hx4 n MET 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 3hx4 s LYS 113 N -1.29 4.31 -0.24 3.17 2.20 -1.26 -4.98 119.74 121.65 3hx4 s LYS 113 Ca 0.61 0.32 -0.08 0.00 -0.36 0.00 0.00 55.97 56.46 3hx4 s LYS 113 Cb -0.69 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.16 3hx4 s LYS 113 CO 0.58 0.18 0.09 -1.17 -0.36 0.00 0.00 175.35 174.67 3hx4 s LEU 114 N 0.60 3.62 -0.15 5.43 2.96 -1.26 -1.75 118.68 128.12 3hx4 s LEU 114 Ca 0.22 -0.12 -0.20 0.00 -0.22 0.00 0.00 54.13 53.82 3hx4 s LEU 114 Cb -0.14 -1.97 -0.17 0.00 0.50 0.00 0.00 46.19 44.40 3hx4 s LEU 114 CO 0.08 -0.00 0.39 1.88 -1.32 0.00 0.00 176.35 177.38 3hx4 h TYR 115 N 7.99 0.00 -3.15 5.38 0.05 -0.99 -3.47 116.97 122.78 3hx4 h TYR 115 Ca -0.37 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.32 3hx4 h TYR 115 Cb 1.18 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 38.75 3hx4 h TYR 115 CO 0.67 0.85 -0.17 -1.21 -1.05 0.00 0.00 178.16 177.25 3hx4 s GLU 116 N -2.14 0.87 -0.11 4.88 2.02 -0.90 -4.22 118.70 119.11 3hx4 s GLU 116 Ca -0.18 -0.42 -0.01 0.00 0.02 0.00 0.00 54.97 54.38 3hx4 s GLU 116 Cb 0.00 0.38 0.03 0.00 0.10 0.00 0.00 34.13 34.65 3hx4 s GLU 116 CO 0.49 -0.29 -0.01 0.12 0.02 0.00 0.00 175.26 175.59 3hx4 s PHE 117 N -2.50 0.97 0.12 1.61 5.36 -0.51 -1.05 117.98 121.98 3hx4 s PHE 117 Ca -0.05 -0.47 0.05 0.00 -0.96 0.00 0.00 56.93 55.50 3hx4 s PHE 117 Cb -0.01 -0.97 -0.04 0.00 -0.34 0.00 0.00 43.02 41.67 3hx4 s PHE 117 CO -0.03 -0.44 0.01 -0.06 -1.46 0.00 0.00 175.22 173.25 3hx4 s PHE 118 N 1.88 2.97 -0.05 10.12 0.08 0.34 -4.66 117.98 128.66 3hx4 s PHE 118 Ca 0.04 -0.05 -0.00 0.00 0.12 0.00 0.00 56.93 57.03 3hx4 s PHE 118 Cb -0.13 -1.50 0.03 0.00 -0.57 0.00 0.00 43.02 40.84 3hx4 s PHE 118 CO -0.06 0.49 -0.01 -2.00 -0.10 0.00 0.00 175.22 173.54 3hx4 s GLU 119 N -2.52 0.57 0.50 0.44 2.12 -1.26 -0.45 118.70 118.11 3hx4 s GLU 119 Ca 0.27 0.05 0.08 0.00 0.36 0.00 0.00 54.97 55.72 3hx4 s GLU 119 Cb -0.11 -0.80 0.04 0.00 0.26 0.00 0.00 34.13 33.52 3hx4 s GLU 119 CO 0.19 -0.20 0.59 -0.51 -0.54 0.00 0.00 175.26 174.79 3hx4 s ASP 120 N 1.44 5.12 0.55 -1.70 1.11 0.25 -4.99 116.67 118.46 3hx4 s ASP 120 Ca -0.03 -0.81 0.37 0.00 0.18 0.00 0.00 52.55 52.25 3hx4 s ASP 120 Cb -0.13 -0.06 1.91 0.00 1.07 0.00 0.00 42.92 45.70 3hx4 s ASP 120 CO -0.03 -1.03 2.11 0.07 1.18 0.00 0.00 175.17 177.47 3hx4 h LYS 121 N 0.56 0.00 0.00 8.23 2.10 -2.02 -3.29 116.57 122.15 3hx4 h LYS 121 Ca -0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.29 3hx4 h LYS 121 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3hx4 h LYS 121 CO 0.48 0.00 -0.38 0.41 -2.00 0.00 0.00 179.45 177.96 3hx4 n GLY 122 N -0.92 0.39 2.99 0.07 0.00 -1.26 -4.94 105.19 101.53 3hx4 n GLY 122 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 3hx4 n GLY 122 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hx4 s TYR 123 N -1.00 0.40 -0.07 1.61 2.02 -1.24 -1.03 117.35 118.05 3hx4 s TYR 123 Ca 0.00 -0.37 -0.05 0.00 -0.37 0.00 0.00 57.07 56.28 3hx4 s TYR 123 Cb 0.00 -0.26 -0.04 0.00 -0.40 0.00 0.00 41.96 41.26 3hx4 s TYR 123 CO 0.00 -0.10 0.14 -0.06 -1.57 0.00 0.00 175.55 173.97 3hx4 s PHE 124 N -1.01 3.53 -0.13 2.71 0.08 0.28 0.88 117.98 124.32 3hx4 s PHE 124 Ca -0.09 0.42 0.01 0.00 0.12 0.00 0.00 56.93 57.40 3hx4 s PHE 124 Cb -0.07 -1.88 0.02 0.00 -0.57 0.00 0.00 43.02 40.52 3hx4 s PHE 124 CO -0.00 0.68 -0.16 0.71 -0.10 0.00 0.00 175.22 176.34 3hx4 s TYR 125 N -1.15 2.22 -0.38 0.36 2.02 0.40 -0.57 117.35 120.26 3hx4 s TYR 125 Ca 0.20 -1.16 -0.07 0.00 -0.37 0.00 0.00 57.07 55.67 3hx4 s TYR 125 Cb -0.12 -1.59 0.07 0.00 -0.40 0.00 0.00 41.96 39.92 3hx4 s TYR 125 CO 0.10 -0.60 0.19 -0.51 -1.57 0.00 0.00 175.55 173.16 3hx4 s LEU 126 N 1.18 4.82 -0.25 -1.29 1.02 0.31 -0.50 118.68 123.96 3hx4 s LEU 126 Ca -0.01 -1.44 -0.12 0.00 0.02 0.00 0.00 54.13 52.57 3hx4 s LEU 126 Cb -0.14 -1.91 -0.05 0.00 0.02 0.00 0.00 46.19 44.11 3hx4 s LEU 126 CO -0.06 -0.45 0.25 -0.69 0.02 0.00 0.00 176.35 175.42 3hx4 s VAL 127 N 1.37 5.28 0.21 -1.59 1.01 -0.22 -0.48 120.40 125.98 3hx4 s VAL 127 Ca 0.02 0.35 0.01 0.00 0.00 0.00 0.00 61.98 62.35 3hx4 s VAL 127 Cb -0.22 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3hx4 s VAL 127 CO 0.01 0.26 0.08 -0.83 0.00 0.00 0.00 175.10 174.62 3hx4 s GLY 128 N 1.37 1.45 0.31 4.51 0.00 0.91 -0.30 107.32 115.57 3hx4 s GLY 128 Ca 0.11 -1.71 -0.30 0.00 0.00 0.00 0.00 44.72 42.82 3hx4 s GLY 128 CO 0.08 -1.50 1.54 -2.21 0.00 0.00 0.00 173.10 171.01 3hx4 n GLU 129 N -0.32 2.60 -3.05 2.90 2.13 -0.72 -0.29 120.64 123.89 3hx4 n GLU 129 Ca -0.02 0.92 -0.40 0.00 0.66 0.00 0.00 57.16 58.33 3hx4 n GLU 129 Cb 0.65 -2.67 -0.05 0.00 0.27 0.00 0.00 31.44 29.64 3hx4 n GLU 129 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3hx4 s VAL 130 N -0.29 4.78 -0.18 6.31 0.11 -1.26 -4.47 120.40 125.41 3hx4 s VAL 130 Ca 0.62 1.51 0.01 0.00 -2.93 0.00 0.00 61.98 61.18 3hx4 s VAL 130 Cb -0.51 -4.06 0.03 0.00 -1.53 0.00 0.00 36.38 30.32 3hx4 s VAL 130 CO 0.52 0.38 -0.12 -0.31 -3.33 0.00 0.00 175.10 172.24 3hx4 s TYR 131 N -0.11 2.33 -2.29 1.54 2.02 -1.26 -5.00 117.35 114.58 3hx4 s TYR 131 Ca 0.36 -1.44 0.21 0.00 -0.37 0.00 0.00 57.07 55.83 3hx4 s TYR 131 Cb -0.20 -1.64 0.35 0.00 -0.40 0.00 0.00 41.96 40.08 3hx4 s TYR 131 CO 0.21 -0.72 1.31 0.25 -1.57 0.00 0.00 175.55 175.04 3hx4 n THR 132 N 4.72 0.43 1.34 -0.71 -2.24 0.32 -4.39 114.28 113.74 3hx4 n THR 132 Ca -0.16 -0.72 0.13 0.00 -2.27 0.00 0.00 64.05 61.03 3hx4 n THR 132 Cb 0.48 1.04 0.44 0.00 -2.10 0.00 0.00 70.33 70.18 3hx4 n THR 132 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hx4 n GLY 133 N 1.31 0.23 0.96 3.38 0.00 -0.02 -4.48 105.19 106.57 3hx4 n GLY 133 Ca 0.17 -0.47 0.05 0.00 0.00 0.00 0.00 46.02 45.76 3hx4 n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hx4 n GLY 134 N 1.19 -2.14 3.78 -0.02 0.00 -1.25 -4.54 105.19 102.21 3hx4 n GLY 134 Ca 0.18 -1.43 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 3hx4 n GLY 134 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hx4 s GLU 135 N -1.19 4.04 0.35 1.61 2.02 -1.26 -1.35 118.70 122.92 3hx4 s GLU 135 Ca 0.00 1.56 0.10 0.00 0.02 0.00 0.00 54.97 56.65 3hx4 s GLU 135 Cb 0.00 -2.47 0.86 0.00 0.10 0.00 0.00 34.13 32.62 3hx4 s GLU 135 CO 0.00 -0.26 1.83 1.25 0.02 0.00 0.00 175.26 178.10 3hx4 h LEU 136 N 2.31 0.64 -0.81 1.80 6.46 -0.59 -1.97 115.31 123.16 3hx4 h LEU 136 Ca -0.49 0.06 0.19 0.00 -0.12 0.00 0.00 57.88 57.52 3hx4 h LEU 136 Cb 1.22 -0.06 -0.14 0.00 -0.73 0.00 0.00 40.66 40.95 3hx4 h LEU 136 CO 0.62 0.27 -0.01 0.15 -0.62 0.00 0.00 178.44 178.85 3hx4 h PHE 137 N 0.65 -0.09 -0.16 1.25 3.04 -1.64 -1.47 116.94 118.52 3hx4 h PHE 137 Ca 0.50 0.06 -0.12 0.00 3.98 0.00 0.00 57.97 62.39 3hx4 h PHE 137 Cb 0.91 0.17 -0.01 0.00 2.56 0.00 0.00 35.95 39.57 3hx4 h PHE 137 CO -0.00 -0.28 -0.43 -0.44 -2.02 0.00 0.00 178.31 175.13 3hx4 h ASP 138 N 0.08 0.39 -0.62 0.41 3.32 -1.67 -1.60 116.42 116.72 3hx4 h ASP 138 Ca 0.44 -0.17 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 3hx4 h ASP 138 Cb 0.80 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3hx4 h ASP 138 CO -0.73 0.78 0.29 -0.33 -1.72 0.00 0.00 179.24 177.52 3hx4 h GLU 139 N 0.30 0.90 0.28 3.56 4.39 -1.40 -3.04 114.58 119.57 3hx4 h GLU 139 Ca 0.02 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 3hx4 h GLU 139 Cb 0.89 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 3hx4 h GLU 139 CO 0.07 0.73 -0.19 0.82 -1.16 0.00 0.00 179.01 179.28 3hx4 h ILE 140 N 0.85 0.59 0.00 3.13 2.04 -0.90 -2.82 117.51 120.41 3hx4 h ILE 140 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.07 3hx4 h ILE 140 Cb 0.13 0.59 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3hx4 h ILE 140 CO -0.02 0.00 0.00 2.30 0.00 0.00 0.00 178.15 180.43 3hx4 n ILE 141 N -5.32 0.00 0.07 -0.67 -5.35 -0.64 -2.33 119.36 105.12 3hx4 n ILE 141 Ca -0.09 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.46 3hx4 n ILE 141 Cb 0.23 -0.66 0.15 0.00 -1.74 0.00 0.00 39.64 37.62 3hx4 n ILE 141 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3hx4 n SER 142 N -0.98 2.84 -3.67 7.28 3.41 -1.07 -5.00 113.62 116.43 3hx4 n SER 142 Ca 0.15 -1.85 -0.12 0.00 -0.26 0.00 0.00 58.87 56.78 3hx4 n SER 142 Cb 0.07 -0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 63.77 3hx4 n SER 142 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hx4 s ARG 143 N -1.07 0.92 0.25 4.33 1.70 -0.99 -5.05 118.95 119.04 3hx4 s ARG 143 Ca 0.25 -0.42 -0.05 0.00 -0.47 0.00 0.00 55.73 55.04 3hx4 s ARG 143 Cb 0.14 0.41 0.35 0.00 -0.57 0.00 0.00 34.95 35.29 3hx4 s ARG 143 CO 0.20 -0.32 1.85 0.87 -1.08 0.00 0.00 175.30 176.82 3hx4 h LYS 144 N 2.96 0.97 -1.25 3.89 1.57 -1.93 -3.47 116.57 119.31 3hx4 h LYS 144 Ca -0.32 -0.06 0.18 0.00 -1.87 0.00 0.00 60.65 58.58 3hx4 h LYS 144 Cb 1.21 -0.22 -0.26 0.00 0.08 0.00 0.00 32.23 33.04 3hx4 h LYS 144 CO 0.44 0.64 0.79 0.50 -0.57 0.00 0.00 179.45 181.26 3hx4 s ARG 145 N -6.05 0.26 -0.07 3.15 3.52 -1.26 -4.10 118.95 114.39 3hx4 s ARG 145 Ca -0.13 0.08 -0.09 0.00 -0.13 0.00 0.00 55.73 55.46 3hx4 s ARG 145 Cb 0.19 0.12 -0.05 0.00 -1.56 0.00 0.00 34.95 33.65 3hx4 s ARG 145 CO 0.79 -0.08 0.24 -0.06 -0.81 0.00 0.00 175.30 175.39 3hx4 s PHE 146 N -0.95 3.64 0.71 5.12 0.08 -0.20 -5.06 117.98 121.31 3hx4 s PHE 146 Ca 0.05 0.68 -0.14 0.00 0.12 0.00 0.00 56.93 57.64 3hx4 s PHE 146 Cb -0.01 -2.06 0.03 0.00 -0.57 0.00 0.00 43.02 40.41 3hx4 s PHE 146 CO -0.05 0.69 1.13 -1.54 -0.10 0.00 0.00 175.22 175.35 3hx4 s SER 147 N -1.13 4.67 0.22 1.36 1.04 -1.26 -4.51 113.70 114.08 3hx4 s SER 147 Ca 0.19 2.06 -0.08 0.00 0.48 0.00 0.00 55.95 58.60 3hx4 s SER 147 Cb -0.14 -2.56 0.25 0.00 0.10 0.00 0.00 66.02 63.68 3hx4 s SER 147 CO 0.08 -1.93 1.84 -0.33 0.98 0.00 0.00 173.24 173.88 3hx4 h GLU 148 N -0.36 0.81 -0.63 4.02 5.08 -1.96 0.13 114.58 121.67 3hx4 h GLU 148 Ca -0.46 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 57.82 3hx4 h GLU 148 Cb 1.26 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.29 3hx4 h GLU 148 CO 0.52 0.54 0.25 0.28 -1.00 0.00 0.00 179.01 179.60 3hx4 h VAL 149 N 0.84 1.22 -0.13 3.13 2.07 -1.92 -0.28 116.25 121.17 3hx4 h VAL 149 Ca 0.32 -0.69 -0.20 0.00 0.82 0.00 0.00 66.70 66.94 3hx4 h VAL 149 Cb 0.12 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3hx4 h VAL 149 CO -0.15 0.28 -0.71 0.44 0.02 0.00 0.00 177.57 177.44 3hx4 h ASP 150 N 0.90 0.86 -0.40 0.57 3.32 -1.51 -2.77 116.42 117.39 3hx4 h ASP 150 Ca 0.21 -0.64 -0.08 0.00 0.02 0.00 0.00 57.03 56.54 3hx4 h ASP 150 Cb 0.17 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3hx4 h ASP 150 CO -0.02 1.36 -0.04 0.00 -1.72 0.00 0.00 179.24 178.82 3hx4 h ALA 151 N 0.52 1.05 -0.39 3.45 0.00 -0.67 -2.98 119.26 120.24 3hx4 h ALA 151 Ca -0.05 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3hx4 h ALA 151 Cb 1.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3hx4 h ALA 151 CO 0.15 0.59 0.11 0.00 0.00 0.00 0.00 179.25 180.10 3hx4 h ALA 152 N 1.21 0.51 -0.78 0.00 0.00 -1.05 -0.14 119.26 119.02 3hx4 h ALA 152 Ca 0.14 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3hx4 h ALA 152 Cb 0.50 -0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3hx4 h ALA 152 CO 0.03 0.16 0.46 -0.09 0.00 0.00 0.00 179.25 179.81 3hx4 h ARG 153 N 0.48 0.82 -0.14 0.00 2.43 -1.45 0.73 114.38 117.25 3hx4 h ARG 153 Ca 0.12 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3hx4 h ARG 153 Cb 0.28 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3hx4 h ARG 153 CO -0.00 0.54 -0.05 0.82 -1.51 0.00 0.00 179.97 179.77 3hx4 h ILE 154 N 0.84 1.31 -0.32 1.20 2.04 -1.34 -2.98 117.51 118.26 3hx4 h ILE 154 Ca 0.35 -1.06 -0.11 0.00 1.00 0.00 0.00 64.86 65.03 3hx4 h ILE 154 Cb 0.19 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 3hx4 h ILE 154 CO -0.18 0.31 -0.27 0.40 0.00 0.00 0.00 178.15 178.41 3hx4 h ILE 155 N -0.04 1.28 -0.58 -0.67 1.08 -0.84 -2.10 117.51 115.64 3hx4 h ILE 155 Ca 0.03 -1.36 0.06 0.00 -0.39 0.00 0.00 64.86 63.20 3hx4 h ILE 155 Cb 0.51 1.32 -0.05 0.00 -3.07 0.00 0.00 36.82 35.52 3hx4 h ILE 155 CO 0.02 0.44 0.28 -0.09 -0.69 0.00 0.00 178.15 178.12 3hx4 h ARG 156 N 0.56 0.52 -0.61 2.37 2.43 -0.87 0.11 114.38 118.89 3hx4 h ARG 156 Ca 0.07 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3hx4 h ARG 156 Cb 0.75 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.15 3hx4 h ARG 156 CO 0.06 0.34 0.35 1.96 -1.51 0.00 0.00 179.97 181.17 3hx4 h GLN 157 N 0.53 0.84 -0.29 0.20 4.20 -1.31 0.39 115.11 119.67 3hx4 h GLN 157 Ca 0.26 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 3hx4 h GLN 157 Cb 0.20 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3hx4 h GLN 157 CO -0.20 0.62 0.13 0.28 -0.67 0.00 0.00 178.83 178.99 3hx4 h VAL 158 N 0.82 1.17 -0.41 -0.54 2.07 -0.89 -1.82 116.25 116.65 3hx4 h VAL 158 Ca 0.22 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 3hx4 h VAL 158 Cb 0.02 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3hx4 h VAL 158 CO -0.04 0.18 -0.02 -0.07 0.02 0.00 0.00 177.57 177.64 3hx4 h LEU 159 N 0.33 0.63 -0.46 2.57 3.38 -0.53 -0.50 115.31 120.74 3hx4 h LEU 159 Ca 0.10 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hx4 h LEU 159 Cb 0.16 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3hx4 h LEU 159 CO -0.01 0.72 0.29 -1.28 0.09 0.00 0.00 178.44 178.25 3hx4 h SER 160 N 0.62 0.54 -0.06 -0.43 0.87 0.04 -0.29 113.55 114.84 3hx4 h SER 160 Ca 0.12 -0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3hx4 h SER 160 Cb 0.42 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3hx4 h SER 160 CO 0.02 0.42 0.03 1.23 -0.53 0.00 0.00 176.83 178.00 3hx4 h GLY 161 N 0.61 0.09 2.00 5.77 0.00 -0.67 -2.20 103.07 108.68 3hx4 h GLY 161 Ca 0.17 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 3hx4 h GLY 161 CO -0.03 0.04 -0.39 0.16 0.00 0.00 0.00 176.54 176.31 3hx4 h ILE 162 N 0.01 0.72 -0.27 2.60 3.07 -1.08 -0.84 117.51 121.73 3hx4 h ILE 162 Ca 0.02 -1.85 -0.00 0.00 1.55 0.00 0.00 64.86 64.58 3hx4 h ILE 162 Cb 0.07 2.23 -0.01 0.00 -0.27 0.00 0.00 36.82 38.84 3hx4 h ILE 162 CO -0.00 0.38 0.15 0.74 -1.05 0.00 0.00 178.15 178.37 3hx4 h THR 163 N 0.00 1.11 -0.56 0.16 2.02 -1.02 -1.09 112.91 113.53 3hx4 h THR 163 Ca -0.00 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 3hx4 h THR 163 Cb 1.20 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 3hx4 h THR 163 CO 0.05 0.11 0.28 0.22 0.37 0.00 0.00 175.52 176.56 3hx4 h TYR 164 N 0.32 0.80 -0.34 3.16 3.20 -1.19 -2.04 116.97 120.88 3hx4 h TYR 164 Ca 0.09 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.94 3hx4 h TYR 164 Cb 0.05 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 3hx4 h TYR 164 CO -0.04 0.61 0.22 0.52 -1.64 0.00 0.00 178.16 177.82 3hx4 h MET 165 N 0.76 0.43 -0.42 1.82 2.86 -1.04 -2.22 114.93 117.12 3hx4 h MET 165 Ca 0.19 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.69 3hx4 h MET 165 Cb 0.10 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 3hx4 h MET 165 CO -0.03 0.28 -0.22 0.45 1.06 0.00 0.00 176.91 178.46 3hx4 h HIS 166 N 0.44 0.95 -0.33 -0.22 3.86 -1.15 0.77 115.15 119.47 3hx4 h HIS 166 Ca 0.13 -0.22 0.02 0.00 -1.16 0.00 0.00 60.37 59.14 3hx4 h HIS 166 Cb -0.03 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.19 3hx4 h HIS 166 CO -0.06 0.98 0.22 -0.22 0.86 0.00 0.00 177.93 179.71 3hx4 h LYS 167 N 0.73 0.37 -0.62 2.45 3.64 -1.25 -0.80 116.57 121.10 3hx4 h LYS 167 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3hx4 h LYS 167 Cb 0.75 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3hx4 h LYS 167 CO 0.06 0.25 0.00 0.09 -2.27 0.00 0.00 179.45 177.58 3hx4 n ASN 168 N -4.49 3.51 -2.07 4.20 3.02 -0.64 -4.93 115.26 113.87 3hx4 n ASN 168 Ca 0.03 -2.34 -0.16 0.00 -0.03 0.00 0.00 54.58 52.07 3hx4 n ASN 168 Cb 0.12 -0.49 0.01 0.00 -0.61 0.00 0.00 39.78 38.81 3hx4 n ASN 168 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hx4 n LYS 169 N 0.67 -2.63 -5.16 3.52 4.76 -0.31 -4.98 118.16 114.03 3hx4 n LYS 169 Ca 0.18 0.71 -0.31 0.00 -2.87 0.00 0.00 58.31 56.02 3hx4 n LYS 169 Cb 0.68 -5.07 -0.17 0.00 -1.84 0.00 0.00 35.03 28.63 3hx4 n LYS 169 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3hx4 s ILE 170 N -2.91 1.93 0.00 -0.18 1.01 0.16 -1.36 121.20 119.85 3hx4 s ILE 170 Ca 0.13 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.87 3hx4 s ILE 170 Cb -0.06 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.74 3hx4 s ILE 170 CO 0.16 0.54 -0.19 0.54 0.00 0.00 0.00 174.94 175.99 3hx4 s VAL 171 N 0.07 2.69 -0.15 2.92 0.11 -0.28 -3.19 120.40 122.57 3hx4 s VAL 171 Ca -0.09 -1.04 -0.21 0.00 -2.93 0.00 0.00 61.98 57.71 3hx4 s VAL 171 Cb -0.15 -2.06 -0.18 0.00 -1.53 0.00 0.00 36.38 32.45 3hx4 s VAL 171 CO 0.05 0.47 0.46 -0.74 -3.33 0.00 0.00 175.10 172.01 3hx4 h HIS 172 N 4.99 0.00 0.00 1.54 2.76 -1.91 -2.23 115.15 120.31 3hx4 h HIS 172 Ca -0.46 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.71 3hx4 h HIS 172 Cb 1.15 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.11 3hx4 h HIS 172 CO 0.49 0.84 0.00 0.54 -1.30 0.00 0.00 177.93 178.50 3hx4 n ARG 173 N -4.61 0.00 -2.74 5.26 1.74 -1.26 -2.90 116.66 112.16 3hx4 n ARG 173 Ca -0.12 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.91 3hx4 n ARG 173 Cb 0.41 -3.01 0.06 0.00 -1.02 0.00 0.00 32.46 28.90 3hx4 n ARG 173 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3hx4 n ASP 174 N 0.00 0.84 -4.69 0.55 2.03 -1.26 -4.28 116.55 109.73 3hx4 n ASP 174 Ca 0.00 -2.37 -0.42 0.00 0.52 0.00 0.00 54.79 52.52 3hx4 n ASP 174 Cb 0.00 -0.22 -0.03 0.00 -0.72 0.00 0.00 41.12 40.15 3hx4 n ASP 174 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hx4 s LEU 175 N -3.50 4.29 0.08 -2.67 1.43 -1.26 -4.79 118.68 112.26 3hx4 s LEU 175 Ca 0.25 1.82 -0.27 0.00 -1.03 0.00 0.00 54.13 54.90 3hx4 s LEU 175 Cb 0.40 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 43.14 3hx4 s LEU 175 CO -0.02 -0.56 0.91 -1.59 0.23 0.00 0.00 176.35 175.32 3hx4 s LYS 176 N 2.08 1.03 0.49 1.70 -2.85 -1.26 -4.80 119.74 116.13 3hx4 s LYS 176 Ca 0.56 -0.49 0.15 0.00 -1.00 0.00 0.00 55.97 55.18 3hx4 s LYS 176 Cb -0.25 0.40 1.18 0.00 -2.06 0.00 0.00 37.83 37.10 3hx4 s LYS 176 CO 0.23 -0.46 2.11 -1.35 0.10 0.00 0.00 175.35 175.97 3hx4 h PRO 177 N 2.00 0.14 0.00 1.78 0.11 -1.93 -0.50 132.00 133.60 3hx4 h PRO 177 Ca -0.24 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.86 3hx4 h PRO 177 Cb 1.24 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3hx4 h PRO 177 CO 0.28 0.09 -0.01 0.93 -0.21 0.00 0.00 178.00 179.08 3hx4 h GLU 178 N 0.14 0.00 -0.52 1.05 3.07 -1.94 -2.05 114.58 114.33 3hx4 h GLU 178 Ca 0.07 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.87 3hx4 h GLU 178 Cb 0.10 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.97 3hx4 h GLU 178 CO -0.01 0.01 0.06 0.09 -1.40 0.00 0.00 179.01 177.77 3hx4 n ASN 179 N -4.41 4.91 -4.01 1.42 3.02 -0.20 -4.79 115.26 111.20 3hx4 n ASN 179 Ca -0.03 -3.07 -0.31 0.00 -0.03 0.00 0.00 54.58 51.15 3hx4 n ASN 179 Cb 0.10 -0.66 -0.16 0.00 -0.61 0.00 0.00 39.78 38.45 3hx4 n ASN 179 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hx4 s LEU 180 N -2.87 2.30 -0.02 3.41 1.43 -1.16 -1.00 118.68 120.79 3hx4 s LEU 180 Ca 0.51 -0.88 -0.01 0.00 -1.03 0.00 0.00 54.13 52.72 3hx4 s LEU 180 Cb 0.40 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.32 3hx4 s LEU 180 CO 0.13 -0.13 0.10 -0.76 0.23 0.00 0.00 176.35 175.91 3hx4 s LEU 181 N 1.38 4.00 0.02 1.79 1.43 0.34 -0.62 118.68 127.01 3hx4 s LEU 181 Ca -0.01 0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 53.07 3hx4 s LEU 181 Cb -0.16 -2.30 -0.06 0.00 0.03 0.00 0.00 46.19 43.70 3hx4 s LEU 181 CO -0.08 0.28 0.65 -0.76 0.23 0.00 0.00 176.35 176.67 3hx4 s LEU 182 N -1.69 4.44 0.34 1.79 1.43 -0.46 -0.27 118.68 124.25 3hx4 s LEU 182 Ca 0.23 1.26 0.03 0.00 -1.03 0.00 0.00 54.13 54.62 3hx4 s LEU 182 Cb -0.12 -3.02 0.60 0.00 0.03 0.00 0.00 46.19 43.68 3hx4 s LEU 182 CO 0.14 0.09 1.92 -0.33 0.23 0.00 0.00 176.35 178.40 3hx4 h GLU 183 N 5.56 0.67 -3.74 1.70 5.08 -1.16 -0.01 114.58 122.68 3hx4 h GLU 183 Ca -0.45 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 57.65 3hx4 h GLU 183 Cb 1.20 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.27 3hx4 h GLU 183 CO 0.70 0.57 -0.06 -1.54 -1.00 0.00 0.00 179.01 177.67 3hx4 s SER 184 N -6.63 0.46 0.09 1.42 1.04 -1.26 -0.52 113.70 108.29 3hx4 s SER 184 Ca -0.09 -1.27 0.27 0.00 0.48 0.00 0.00 55.95 55.34 3hx4 s SER 184 Cb 0.16 0.69 0.86 0.00 0.10 0.00 0.00 66.02 67.83 3hx4 s SER 184 CO 0.77 -1.35 1.72 0.29 0.98 0.00 0.00 173.24 175.64 3hx4 n LYS 185 N -0.51 0.14 -1.45 4.02 5.02 -1.26 -3.99 118.16 120.12 3hx4 n LYS 185 Ca -0.02 0.09 -0.40 0.00 -2.02 0.00 0.00 58.31 55.96 3hx4 n LYS 185 Cb 0.61 -1.64 0.02 0.00 -0.02 0.00 0.00 35.03 34.00 3hx4 n LYS 185 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3hx4 n SER 186 N -1.87 -1.01 0.24 4.39 2.88 -1.26 -4.91 113.62 112.08 3hx4 n SER 186 Ca 0.06 0.83 0.13 0.00 -1.33 0.00 0.00 58.87 58.56 3hx4 n SER 186 Cb 0.39 -1.13 0.41 0.00 -0.75 0.00 0.00 64.21 63.12 3hx4 n SER 186 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3hx4 h LYS 187 N 0.57 0.00 -0.76 -1.46 1.79 -2.05 -2.96 116.57 111.70 3hx4 h LYS 187 Ca -0.43 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.04 3hx4 h LYS 187 Cb 1.40 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.05 3hx4 h LYS 187 CO 0.49 0.07 0.00 -0.40 -1.08 0.00 0.00 179.45 178.53 3hx4 n ASP 188 N -3.15 3.77 -4.72 0.86 3.85 -1.26 -5.00 116.55 110.90 3hx4 n ASP 188 Ca 0.02 -2.55 -0.42 0.00 -0.71 0.00 0.00 54.79 51.14 3hx4 n ASP 188 Cb 0.44 -0.61 -0.03 0.00 -1.35 0.00 0.00 41.12 39.57 3hx4 n ASP 188 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hx4 s ALA 189 N -2.03 3.67 0.63 2.12 0.00 -1.12 -4.97 121.76 120.06 3hx4 s ALA 189 Ca 0.32 1.26 -0.17 0.00 0.00 0.00 0.00 51.96 53.36 3hx4 s ALA 189 Cb 0.24 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 3hx4 s ALA 189 CO 0.09 -0.70 1.19 1.21 0.00 0.00 0.00 175.76 177.55 3hx4 s ASN 190 N 0.95 5.01 -0.11 0.00 2.47 -1.26 -4.72 114.94 117.28 3hx4 s ASN 190 Ca 0.65 2.31 -0.11 0.00 0.42 0.00 0.00 52.86 56.13 3hx4 s ASN 190 Cb -0.40 -2.59 -0.05 0.00 -1.45 0.00 0.00 41.25 36.76 3hx4 s ASN 190 CO 0.33 -1.71 0.24 -0.63 -3.72 0.00 0.00 177.10 171.62 3hx4 s ILE 191 N -1.80 5.33 -0.11 -5.21 -1.09 -1.26 -0.63 121.20 116.42 3hx4 s ILE 191 Ca 0.75 0.45 0.03 0.00 -2.23 0.00 0.00 60.65 59.65 3hx4 s ILE 191 Cb -0.28 -3.54 0.01 0.00 -1.58 0.00 0.00 42.46 37.06 3hx4 s ILE 191 CO 0.36 0.54 -0.22 -0.13 -1.23 0.00 0.00 174.94 174.26 3hx4 s ARG 192 N -0.54 2.88 -0.01 2.79 1.81 0.62 -4.45 118.95 122.05 3hx4 s ARG 192 Ca 0.17 -0.81 -0.30 0.00 -1.72 0.00 0.00 55.73 53.07 3hx4 s ARG 192 Cb -0.13 -2.25 -0.03 0.00 -0.45 0.00 0.00 34.95 32.09 3hx4 s ARG 192 CO 0.06 0.08 0.98 0.42 -0.68 0.00 0.00 175.30 176.16 3hx4 s ILE 193 N 0.58 4.87 0.39 1.52 1.01 0.32 -0.51 121.20 129.39 3hx4 s ILE 193 Ca -0.14 2.05 0.02 0.00 0.00 0.00 0.00 60.65 62.58 3hx4 s ILE 193 Cb -0.17 -4.31 -0.01 0.00 0.01 0.00 0.00 42.46 37.98 3hx4 s ILE 193 CO 0.04 0.15 0.06 2.30 0.00 0.00 0.00 174.94 177.49 3hx4 n ILE 194 N 3.96 0.00 -3.03 2.92 -5.35 -0.17 -1.36 119.36 116.34 3hx4 n ILE 194 Ca 0.06 -2.03 -0.09 0.00 -0.27 0.00 0.00 62.75 60.42 3hx4 n ILE 194 Cb 0.51 0.56 0.01 0.00 -1.74 0.00 0.00 39.64 38.97 3hx4 n ILE 194 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3hx4 n ASP 195 N -1.42 -7.53 -1.47 7.28 -0.08 -1.26 -4.87 116.55 107.21 3hx4 n ASP 195 Ca -0.12 0.20 0.02 0.00 -1.51 0.00 0.00 54.79 53.39 3hx4 n ASP 195 Cb 0.53 -4.84 0.25 0.00 2.34 0.00 0.00 41.12 39.40 3hx4 n ASP 195 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3hx4 n PHE 196 N -0.88 1.46 0.16 -0.67 3.72 -1.26 -4.50 117.46 115.48 3hx4 n PHE 196 Ca 0.04 -0.58 0.15 0.00 -0.05 0.00 0.00 57.45 57.01 3hx4 n PHE 196 Cb 0.51 -0.41 0.73 0.00 -0.94 0.00 0.00 39.48 39.36 3hx4 n PHE 196 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3hx4 h GLY 197 N 4.11 0.00 -1.78 1.37 0.00 -1.91 -2.13 103.07 102.73 3hx4 h GLY 197 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3hx4 h GLY 197 CO 0.37 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.95 3hx4 n LEU 198 N -4.23 3.09 -4.87 3.11 4.77 -1.26 -4.94 117.00 112.67 3hx4 n LEU 198 Ca 0.03 -1.63 -0.31 0.00 -0.03 0.00 0.00 56.01 54.07 3hx4 n LEU 198 Cb 0.33 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.22 3hx4 n LEU 198 CO 0.33 0.71 0.73 -0.44 -1.33 0.00 0.00 177.39 177.39 3hx4 s SER 199 N -1.17 5.76 0.18 -1.43 0.01 -0.80 -4.64 113.70 111.61 3hx4 s SER 199 Ca 0.31 1.30 -0.23 0.00 1.31 0.00 0.00 55.95 58.63 3hx4 s SER 199 Cb 0.17 -2.21 0.06 0.00 0.21 0.00 0.00 66.02 64.25 3hx4 s SER 199 CO 0.24 -1.16 0.68 0.28 0.41 0.00 0.00 173.24 173.70 3hx4 s THR 200 N -3.25 0.00 0.40 1.44 -1.32 -0.84 -4.94 115.64 107.13 3hx4 s THR 200 Ca 0.57 -0.34 -0.23 0.00 -1.21 0.00 0.00 61.69 60.48 3hx4 s THR 200 Cb -0.11 -1.35 -0.09 0.00 -1.51 0.00 0.00 72.50 69.43 3hx4 s THR 200 CO 0.53 0.00 1.01 -1.00 -2.21 0.00 0.00 174.62 172.95 3hx4 s HIS 201 N -3.71 3.32 0.21 9.09 3.76 -1.26 -1.13 115.29 125.57 3hx4 s HIS 201 Ca 0.05 1.65 0.09 0.00 -0.15 0.00 0.00 55.06 56.70 3hx4 s HIS 201 Cb -0.03 -3.03 -0.05 0.00 1.11 0.00 0.00 32.58 30.59 3hx4 s HIS 201 CO -0.06 -0.40 -0.16 -0.59 -0.85 0.00 0.00 174.74 172.68 3hx4 s PHE 202 N -1.80 1.87 0.17 1.40 -0.71 -0.46 -4.89 117.98 113.55 3hx4 s PHE 202 Ca 0.59 -0.50 0.07 0.00 -1.04 0.00 0.00 56.93 56.05 3hx4 s PHE 202 Cb -0.18 -0.86 -0.04 0.00 -1.21 0.00 0.00 43.02 40.72 3hx4 s PHE 202 CO 0.23 0.44 -0.14 -1.21 -1.34 0.00 0.00 175.22 173.20 3hx4 s GLU 203 N -3.45 1.19 0.32 1.99 2.02 -1.26 -4.83 118.70 114.69 3hx4 s GLU 203 Ca 0.23 -1.45 0.18 0.00 0.02 0.00 0.00 54.97 53.96 3hx4 s GLU 203 Cb -0.03 -1.00 0.15 0.00 0.10 0.00 0.00 34.13 33.36 3hx4 s GLU 203 CO 0.09 0.17 1.45 0.00 0.02 0.00 0.00 175.26 176.99 3hx4 h ALA 204 N 2.94 0.79 0.00 5.21 0.00 -2.02 -3.35 119.26 122.84 3hx4 h ALA 204 Ca -0.39 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.09 3hx4 h ALA 204 Cb 1.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 3hx4 h ALA 204 CO 0.58 0.37 -0.74 0.77 0.00 0.00 0.00 179.25 180.23 3hx4 h SER 205 N 0.00 0.00 -4.49 0.00 0.02 -2.05 -3.45 113.55 103.58 3hx4 h SER 205 Ca -0.01 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.61 3hx4 h SER 205 Cb 1.23 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.54 3hx4 h SER 205 CO 0.04 0.74 -0.75 -1.59 -1.14 0.00 0.00 176.83 174.13 3hx4 s LYS 206 N -3.10 0.62 0.34 3.45 -2.85 -1.26 -5.16 119.74 111.79 3hx4 s LYS 206 Ca 0.01 -0.68 -0.06 0.00 -1.00 0.00 0.00 55.97 54.24 3hx4 s LYS 206 Cb 0.10 -0.50 -0.05 0.00 -2.06 0.00 0.00 37.83 35.32 3hx4 s LYS 206 CO 0.78 0.11 0.63 0.15 0.10 0.00 0.00 175.35 177.12 3hx4 s LYS 207 N -1.25 3.64 0.55 1.78 -0.14 -1.26 -4.31 119.74 118.75 3hx4 s LYS 207 Ca -0.05 0.11 -0.16 0.00 -1.36 0.00 0.00 55.97 54.51 3hx4 s LYS 207 Cb -0.08 -2.55 -0.06 0.00 -1.68 0.00 0.00 37.83 33.45 3hx4 s LYS 207 CO 0.01 0.10 1.01 -1.64 -0.76 0.00 0.00 175.35 174.07 3hx4 s MET 208 N -3.83 3.73 0.00 1.68 -1.94 -0.85 -4.91 119.30 113.18 3hx4 s MET 208 Ca 0.46 1.02 0.00 0.00 -1.71 0.00 0.00 55.69 55.46 3hx4 s MET 208 Cb -0.10 -2.10 0.00 0.00 2.01 0.00 0.00 34.83 34.64 3hx4 s MET 208 CO 0.33 -0.46 0.00 1.63 -0.01 0.00 0.00 175.02 176.51 3hx4 n LYS 209 N -1.79 0.52 -1.63 2.03 4.76 -1.26 -2.05 118.16 118.75 3hx4 n LYS 209 Ca 0.07 0.00 -0.52 0.00 -2.87 0.00 0.00 58.31 54.99 3hx4 n LYS 209 Cb 0.54 -0.80 -0.06 0.00 -1.84 0.00 0.00 35.03 32.86 3hx4 n LYS 209 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 3hx4 n ASP 210 N -1.95 2.68 -4.57 4.39 9.92 -1.26 -4.53 116.55 121.23 3hx4 n ASP 210 Ca 0.00 0.84 -0.33 0.00 -0.53 0.00 0.00 54.79 54.77 3hx4 n ASP 210 Cb 0.30 -1.25 -0.04 0.00 -0.64 0.00 0.00 41.12 39.49 3hx4 n ASP 210 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3hx4 s LYS 211 N 4.53 3.05 -0.03 -1.24 1.02 -1.26 -4.90 119.74 120.90 3hx4 s LYS 211 Ca 1.00 -1.11 0.03 0.00 0.02 0.00 0.00 55.97 55.91 3hx4 s LYS 211 Cb -0.88 -5.28 -0.00 0.00 -0.52 0.00 0.00 37.83 31.15 3hx4 s LYS 211 CO 0.56 -3.11 -0.13 0.42 -0.92 0.00 0.00 175.35 172.17 3hx4 s ILE 212 N 8.13 1.10 -5.00 2.17 1.01 -1.26 -5.00 121.20 122.35 3hx4 s ILE 212 Ca 0.61 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.72 3hx4 s ILE 212 Cb -0.01 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.51 3hx4 s ILE 212 CO 0.04 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.91 3hx4 n GLY 213 N 3.15 0.17 3.15 6.18 0.00 -1.26 -4.93 105.19 111.65 3hx4 n GLY 213 Ca -0.18 -1.36 -0.25 0.00 0.00 0.00 0.00 46.02 44.23 3hx4 n GLY 213 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hx4 s THR 214 N -3.39 1.37 0.21 2.61 2.01 -1.26 -5.02 115.64 112.16 3hx4 s THR 214 Ca 0.00 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.17 3hx4 s THR 214 Cb 0.00 -1.15 0.16 0.00 0.01 0.00 0.00 72.50 71.52 3hx4 s THR 214 CO 0.00 0.39 1.70 0.00 -0.69 0.00 0.00 174.62 176.01 3hx4 h ALA 215 N 5.84 0.66 0.00 7.40 0.00 -1.96 -0.29 119.26 130.92 3hx4 h ALA 215 Ca -0.36 0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3hx4 h ALA 215 Cb 1.16 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3hx4 h ALA 215 CO 0.48 -0.33 -0.11 1.88 0.00 0.00 0.00 179.25 181.18 3hx4 h TYR 216 N 0.22 0.00 0.00 0.00 0.05 -1.95 -3.29 116.97 111.99 3hx4 h TYR 216 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.09 3hx4 h TYR 216 Cb 0.46 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.20 3hx4 h TYR 216 CO -0.27 0.11 -0.48 0.66 -1.05 0.00 0.00 178.16 177.12 3hx4 n TYR 217 N -4.41 0.00 -2.52 4.88 4.01 -0.23 -4.80 117.16 114.09 3hx4 n TYR 217 Ca -0.03 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.30 3hx4 n TYR 217 Cb 0.18 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.17 3hx4 n TYR 217 CO 0.00 0.00 0.00 -1.50 -0.46 0.00 0.00 176.86 174.90 3hx4 s ILE 218 N -1.96 3.99 0.29 -0.72 2.07 -0.56 -3.61 121.20 120.71 3hx4 s ILE 218 Ca 0.04 1.64 -0.29 0.00 -1.41 0.00 0.00 60.65 60.63 3hx4 s ILE 218 Cb 0.08 -4.05 -0.10 0.00 0.13 0.00 0.00 42.46 38.52 3hx4 s ILE 218 CO 0.42 0.24 1.16 0.00 -1.91 0.00 0.00 174.94 174.85 3hx4 s ALA 219 N 0.07 3.43 0.35 1.50 0.00 -1.26 -4.92 121.76 120.93 3hx4 s ALA 219 Ca 0.51 1.00 0.09 0.00 0.00 0.00 0.00 51.96 53.55 3hx4 s ALA 219 Cb -0.29 -3.37 0.82 0.00 0.00 0.00 0.00 23.12 20.28 3hx4 s ALA 219 CO 0.33 -0.29 1.84 -1.35 0.00 0.00 0.00 175.76 176.29 3hx4 h PRO 220 N 3.71 0.68 0.00 0.00 0.11 -1.92 -0.13 132.00 134.43 3hx4 h PRO 220 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hx4 h PRO 220 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hx4 h PRO 220 CO 0.67 0.45 0.00 1.05 -0.21 0.00 0.00 178.00 179.95 3hx4 h GLU 221 N 0.70 0.00 -0.07 1.05 9.09 -1.90 -2.24 114.58 121.22 3hx4 h GLU 221 Ca 0.49 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.88 3hx4 h GLU 221 Cb 0.82 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.92 3hx4 h GLU 221 CO -0.25 0.00 -0.02 0.28 0.05 0.00 0.00 179.01 179.08 3hx4 h VAL 222 N 0.00 1.29 -0.74 -1.06 2.07 -1.28 -1.07 116.25 115.46 3hx4 h VAL 222 Ca 0.00 -0.92 0.15 0.00 0.82 0.00 0.00 66.70 66.75 3hx4 h VAL 222 Cb 0.56 1.78 -0.10 0.00 -1.52 0.00 0.00 31.29 32.01 3hx4 h VAL 222 CO 0.00 0.25 0.25 -0.07 0.02 0.00 0.00 177.57 178.02 3hx4 h LEU 223 N -0.21 0.17 -1.26 2.57 4.07 -1.39 -0.05 115.31 119.21 3hx4 h LEU 223 Ca 0.02 0.12 -0.06 0.00 0.08 0.00 0.00 57.88 58.04 3hx4 h LEU 223 Cb 0.41 0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.27 3hx4 h LEU 223 CO 0.01 0.04 -0.31 -0.74 -1.08 0.00 0.00 178.44 176.37 3hx4 h HIS 224 N 0.37 0.00 0.00 1.13 2.76 -1.36 -3.48 115.15 114.57 3hx4 h HIS 224 Ca 0.41 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.58 3hx4 h HIS 224 Cb 0.66 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.62 3hx4 h HIS 224 CO -0.20 0.31 0.00 0.41 -1.30 0.00 0.00 177.93 177.14 3hx4 n GLY 225 N -0.15 0.80 2.67 5.26 0.00 -0.03 -5.06 105.19 108.68 3hx4 n GLY 225 Ca -0.01 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 3hx4 n GLY 225 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hx4 s THR 226 N -2.00 -0.08 0.27 2.61 2.01 -1.13 -4.27 115.64 113.06 3hx4 s THR 226 Ca 0.00 0.35 -0.21 0.00 0.31 0.00 0.00 61.69 62.15 3hx4 s THR 226 Cb 0.00 -0.21 0.03 0.00 0.01 0.00 0.00 72.50 72.33 3hx4 s THR 226 CO 0.00 0.14 0.78 -0.72 -0.69 0.00 0.00 174.62 174.13 3hx4 s TYR 227 N 2.15 -0.13 0.00 4.92 -0.85 -0.87 -4.64 117.35 117.94 3hx4 s TYR 227 Ca 0.05 -0.34 0.00 0.00 -0.52 0.00 0.00 57.07 56.26 3hx4 s TYR 227 Cb -0.12 0.72 0.00 0.00 0.38 0.00 0.00 41.96 42.94 3hx4 s TYR 227 CO -0.04 -1.22 0.00 -0.40 -1.52 0.00 0.00 175.55 172.37 3hx4 n ASP 228 N -0.63 0.79 0.27 -0.18 5.68 -1.26 -2.00 116.55 119.22 3hx4 n ASP 228 Ca -0.05 -0.51 0.18 0.00 -0.50 0.00 0.00 54.79 53.91 3hx4 n ASP 228 Cb 0.59 0.00 0.93 0.00 -1.14 0.00 0.00 41.12 41.50 3hx4 n ASP 228 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3hx4 h GLU 229 N 0.00 0.00 0.00 0.11 9.09 -1.99 -2.07 114.58 119.73 3hx4 h GLU 229 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3hx4 h GLU 229 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 3hx4 h GLU 229 CO 0.00 0.00 0.01 0.87 0.05 0.00 0.00 179.01 179.94 3hx4 h LYS 230 N 0.00 0.00 -0.79 1.06 1.79 -1.95 -0.86 116.57 115.82 3hx4 h LYS 230 Ca 0.00 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 3hx4 h LYS 230 Cb 0.08 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.67 3hx4 h LYS 230 CO 0.00 0.00 0.51 0.00 -1.08 0.00 0.00 179.45 178.88 3hx4 h ASP 232 N 0.65 0.38 -0.15 0.00 3.32 -1.40 -2.54 116.42 116.68 3hx4 h ASP 232 Ca 0.37 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3hx4 h ASP 232 Cb 0.55 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3hx4 h ASP 232 CO -0.14 0.77 0.04 0.58 -1.72 0.00 0.00 179.24 178.76 3hx4 h VAL 233 N 0.30 1.20 -0.22 -1.35 2.07 -1.48 -1.49 116.25 115.28 3hx4 h VAL 233 Ca 0.02 -0.63 0.06 0.00 0.82 0.00 0.00 66.70 66.97 3hx4 h VAL 233 Cb 0.87 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.90 3hx4 h VAL 233 CO 0.07 0.19 -0.37 -0.25 0.02 0.00 0.00 177.57 177.23 3hx4 h TRP 234 N 0.05 -1.05 -0.72 1.57 2.91 -1.36 0.78 115.95 118.13 3hx4 h TRP 234 Ca 0.05 0.05 0.13 0.00 1.13 0.00 0.00 58.89 60.24 3hx4 h TRP 234 Cb 0.26 0.49 -0.09 0.00 -0.51 0.00 0.00 29.16 29.31 3hx4 h TRP 234 CO 0.01 -0.43 0.28 0.77 -1.03 0.00 0.00 178.44 178.04 3hx4 h SER 235 N -0.39 0.27 -0.51 2.65 0.02 -1.39 -0.31 113.55 113.88 3hx4 h SER 235 Ca 0.11 0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 61.09 3hx4 h SER 235 Cb 0.58 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 3hx4 h SER 235 CO -0.44 0.12 0.09 0.74 -1.14 0.00 0.00 176.83 176.20 3hx4 h THR 236 N 0.44 1.24 -0.44 -2.27 2.02 -0.81 -1.70 112.91 111.39 3hx4 h THR 236 Ca 0.38 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 3hx4 h THR 236 Cb 0.54 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 3hx4 h THR 236 CO -0.37 0.34 0.21 1.23 0.37 0.00 0.00 175.52 177.30 3hx4 h GLY 237 N 1.00 0.66 0.92 2.16 0.00 0.70 -1.11 103.07 107.40 3hx4 h GLY 237 Ca 0.18 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 3hx4 h GLY 237 CO 0.01 0.28 -0.21 -2.08 0.00 0.00 0.00 176.54 174.54 3hx4 h VAL 238 N 0.62 1.30 -0.13 4.60 2.07 -0.34 -0.98 116.25 123.40 3hx4 h VAL 238 Ca 0.16 -1.35 0.03 0.00 0.82 0.00 0.00 66.70 66.35 3hx4 h VAL 238 Cb 0.07 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3hx4 h VAL 238 CO -0.02 0.43 -0.05 0.40 0.02 0.00 0.00 177.57 178.35 3hx4 h ILE 239 N 0.37 0.84 -0.54 4.57 2.04 -1.00 -0.75 117.51 123.04 3hx4 h ILE 239 Ca 0.05 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.99 3hx4 h ILE 239 Cb 0.76 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 3hx4 h ILE 239 CO 0.06 0.00 0.20 0.25 0.00 0.00 0.00 178.15 178.65 3hx4 h LEU 240 N -0.02 0.20 -0.29 1.44 5.85 -1.09 0.97 115.31 122.36 3hx4 h LEU 240 Ca 0.07 0.07 0.04 0.00 0.84 0.00 0.00 57.88 58.90 3hx4 h LEU 240 Cb 0.12 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 3hx4 h LEU 240 CO -0.14 0.13 0.04 0.22 -0.34 0.00 0.00 178.44 178.35 3hx4 h TYR 241 N 0.38 0.06 -0.82 1.25 3.20 -0.77 -2.06 116.97 118.20 3hx4 h TYR 241 Ca 0.26 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.12 3hx4 h TYR 241 Cb 0.30 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.55 3hx4 h TYR 241 CO -0.17 -0.00 0.38 0.82 -1.64 0.00 0.00 178.16 177.55 3hx4 h ILE 242 N 0.13 1.26 -0.84 1.81 2.04 -0.43 -2.00 117.51 119.49 3hx4 h ILE 242 Ca 0.14 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 3hx4 h ILE 242 Cb 0.16 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.41 3hx4 h ILE 242 CO -0.20 0.31 0.49 -0.07 0.00 0.00 0.00 178.15 178.69 3hx4 h LEU 243 N 1.17 1.02 0.00 1.44 3.38 -0.28 0.29 115.31 122.33 3hx4 h LEU 243 Ca 0.28 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 3hx4 h LEU 243 Cb 0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3hx4 h LEU 243 CO -0.03 0.79 -0.66 -0.07 0.09 0.00 0.00 178.44 178.56 3hx4 h LEU 244 N 1.15 0.00 0.00 1.67 3.38 -1.13 -0.52 115.31 119.86 3hx4 h LEU 244 Ca 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 3hx4 h LEU 244 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3hx4 h LEU 244 CO -0.05 0.28 -1.11 -1.54 0.09 0.00 0.00 178.44 176.11 3hx4 n SER 245 N -3.01 4.52 0.00 -0.43 3.41 -0.78 -4.67 113.62 112.66 3hx4 n SER 245 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3hx4 n SER 245 Cb 0.66 0.88 0.00 0.00 -0.26 0.00 0.00 64.21 65.50 3hx4 n SER 245 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hx4 n GLY 246 N 2.58 1.08 3.10 5.00 0.00 0.10 -4.87 105.19 112.17 3hx4 n GLY 246 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 3hx4 n GLY 246 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hx4 s PRO 248 N -2.33 4.06 0.50 0.00 0.02 -1.26 -3.92 135.00 132.08 3hx4 s PRO 248 Ca -0.03 1.85 0.29 0.00 0.02 0.00 0.00 61.00 63.13 3hx4 s PRO 248 Cb -0.05 -2.69 1.19 0.00 0.02 0.00 0.00 34.50 32.98 3hx4 s PRO 248 CO -0.01 -0.32 1.93 -1.00 -0.33 0.00 0.00 177.00 177.27 3hx4 h PRO 249 N 2.66 0.00 -4.30 5.54 0.13 -1.91 -3.39 132.00 130.73 3hx4 h PRO 249 Ca -0.49 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.05 3hx4 h PRO 249 Cb 1.23 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.98 3hx4 h PRO 249 CO 0.63 0.11 -0.79 -0.06 -0.23 0.00 0.00 178.00 177.66 3hx4 s PHE 250 N -3.73 2.17 0.35 1.56 0.08 -1.26 -4.76 117.98 112.40 3hx4 s PHE 250 Ca 0.00 -1.54 0.04 0.00 0.12 0.00 0.00 56.93 55.55 3hx4 s PHE 250 Cb 0.10 -1.50 -0.05 0.00 -0.57 0.00 0.00 43.02 41.00 3hx4 s PHE 250 CO 0.59 -0.73 0.08 1.21 -0.10 0.00 0.00 175.22 176.27 3hx4 s ASN 251 N 1.47 2.51 0.00 1.36 3.84 -1.26 -4.82 114.94 118.04 3hx4 s ASN 251 Ca -0.03 -1.47 0.00 0.00 0.21 0.00 0.00 52.86 51.56 3hx4 s ASN 251 Cb -0.18 0.12 0.00 0.00 -0.55 0.00 0.00 41.25 40.64 3hx4 s ASN 251 CO -0.07 -0.72 0.00 0.61 -2.79 0.00 0.00 177.10 174.13 3hx4 n GLY 252 N -0.76 -0.39 0.17 1.21 0.00 -1.26 -4.49 105.19 99.67 3hx4 n GLY 252 Ca -0.04 -1.16 -0.05 0.00 0.00 0.00 0.00 46.02 44.77 3hx4 n GLY 252 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hx4 h ALA 253 N 0.00 0.83 -2.86 4.61 0.00 -2.01 -3.46 119.26 116.36 3hx4 h ALA 253 Ca 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 54.23 3hx4 h ALA 253 Cb 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 3hx4 h ALA 253 CO 0.00 0.73 -0.13 0.54 0.00 0.00 0.00 179.25 180.39 3hx4 s ASN 254 N -6.90 0.23 0.26 0.00 2.20 -1.26 -5.06 114.94 104.42 3hx4 s ASN 254 Ca -0.04 -1.14 -0.02 0.00 -0.94 0.00 0.00 52.86 50.72 3hx4 s ASN 254 Cb 0.12 0.62 0.45 0.00 -2.00 0.00 0.00 41.25 40.44 3hx4 s ASN 254 CO 0.80 -1.22 1.84 -0.08 -2.94 0.00 0.00 177.10 175.50 3hx4 h GLU 255 N 2.20 0.96 -0.38 3.55 4.81 -1.99 -0.64 114.58 123.09 3hx4 h GLU 255 Ca -0.28 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 3hx4 h GLU 255 Cb 1.25 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 3hx4 h GLU 255 CO 0.38 0.64 0.14 -0.92 -0.73 0.00 0.00 179.01 178.51 3hx4 h TYR 256 N 0.99 0.60 -0.58 0.92 3.20 -1.99 -1.85 116.97 118.25 3hx4 h TYR 256 Ca 0.44 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 62.21 3hx4 h TYR 256 Cb 0.33 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3hx4 h TYR 256 CO -0.02 0.55 0.16 -0.44 -1.64 0.00 0.00 178.16 176.77 3hx4 h ASP 257 N 0.47 0.86 -0.11 -2.11 3.32 -1.79 -2.42 116.42 114.64 3hx4 h ASP 257 Ca 0.13 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.97 3hx4 h ASP 257 Cb 0.22 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3hx4 h ASP 257 CO -0.01 0.86 0.02 0.40 -1.72 0.00 0.00 179.24 178.79 3hx4 h ILE 258 N 0.83 0.95 -0.53 0.35 2.04 -1.03 -2.92 117.51 117.19 3hx4 h ILE 258 Ca 0.18 -0.02 -0.03 0.00 1.00 0.00 0.00 64.86 65.99 3hx4 h ILE 258 Cb 0.32 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3hx4 h ILE 258 CO -0.00 0.01 0.21 -0.07 0.00 0.00 0.00 178.15 178.30 3hx4 h LEU 259 N 0.07 0.70 -0.58 1.44 3.38 -1.15 -1.69 115.31 117.48 3hx4 h LEU 259 Ca 0.05 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3hx4 h LEU 259 Cb 0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3hx4 h LEU 259 CO -0.07 0.63 0.19 0.11 0.09 0.00 0.00 178.44 179.39 3hx4 h LYS 260 N 0.76 0.89 -0.69 1.13 1.79 -1.38 0.09 116.57 119.16 3hx4 h LYS 260 Ca 0.18 -0.19 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3hx4 h LYS 260 Cb 0.15 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 3hx4 h LYS 260 CO -0.02 0.80 0.46 -0.22 -1.08 0.00 0.00 179.45 179.39 3hx4 h LYS 261 N 0.81 0.90 -0.05 3.15 1.63 -1.24 -1.71 116.57 120.06 3hx4 h LYS 261 Ca 0.19 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 3hx4 h LYS 261 Cb 0.27 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 3hx4 h LYS 261 CO -0.01 0.60 0.02 0.28 -3.45 0.00 0.00 179.45 176.89 3hx4 h VAL 262 N 0.93 1.12 -0.83 2.00 2.07 -1.15 -0.76 116.25 119.63 3hx4 h VAL 262 Ca 0.26 -0.37 0.12 0.00 0.82 0.00 0.00 66.70 67.52 3hx4 h VAL 262 Cb -0.10 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 30.87 3hx4 h VAL 262 CO -0.06 0.10 0.46 -0.08 0.02 0.00 0.00 177.57 178.01 3hx4 h GLU 263 N -0.06 0.70 -0.04 1.57 4.57 -0.85 -1.30 114.58 119.17 3hx4 h GLU 263 Ca 0.02 -0.04 -0.12 0.00 -1.18 0.00 0.00 59.36 58.03 3hx4 h GLU 263 Cb 0.15 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3hx4 h GLU 263 CO -0.00 0.46 -0.53 -0.22 -1.18 0.00 0.00 179.01 177.54 3hx4 h LYS 264 N 0.72 0.12 0.00 1.92 1.63 -1.16 -3.48 116.57 116.32 3hx4 h LYS 264 Ca 0.42 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 3hx4 h LYS 264 Cb 0.48 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 3hx4 h LYS 264 CO -0.29 0.63 0.00 0.41 -3.45 0.00 0.00 179.45 176.74 3hx4 n GLY 265 N 0.06 2.00 3.71 5.01 0.00 -0.31 -5.01 105.19 110.66 3hx4 n GLY 265 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 3hx4 n GLY 265 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx4 s LYS 266 N -0.23 4.57 0.19 1.61 1.02 -1.26 -4.97 119.74 120.67 3hx4 s LYS 266 Ca 0.00 1.46 -0.02 0.00 0.02 0.00 0.00 55.97 57.43 3hx4 s LYS 266 Cb 0.00 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.84 3hx4 s LYS 266 CO 0.00 -0.03 0.15 1.52 -0.92 0.00 0.00 175.35 176.06 3hx4 s TYR 267 N 0.86 1.06 0.06 3.18 -0.85 -1.26 -4.92 117.35 115.48 3hx4 s TYR 267 Ca 0.52 -1.31 -0.15 0.00 -0.52 0.00 0.00 57.07 55.61 3hx4 s TYR 267 Cb -0.22 -0.49 0.03 0.00 0.38 0.00 0.00 41.96 41.65 3hx4 s TYR 267 CO 0.28 -0.65 0.34 -0.08 -1.52 0.00 0.00 175.55 173.93 3hx4 s THR 268 N -4.13 0.08 -0.95 -3.49 -1.32 -1.26 -5.09 115.64 99.48 3hx4 s THR 268 Ca 0.36 -0.65 -0.11 0.00 -1.21 0.00 0.00 61.69 60.08 3hx4 s THR 268 Cb 0.06 -1.03 0.24 0.00 -1.51 0.00 0.00 72.50 70.27 3hx4 s THR 268 CO 0.10 -0.36 0.90 -0.36 -2.21 0.00 0.00 174.62 172.70 3hx4 s PHE 269 N -2.92 3.98 0.24 9.09 0.08 -1.26 -5.04 117.98 122.14 3hx4 s PHE 269 Ca -0.02 -2.38 -0.30 0.00 0.12 0.00 0.00 56.93 54.35 3hx4 s PHE 269 Cb 0.00 -3.77 -0.10 0.00 -0.57 0.00 0.00 43.02 38.58 3hx4 s PHE 269 CO -0.06 -0.95 1.41 -1.21 -0.10 0.00 0.00 175.22 174.31 3hx4 s GLU 270 N -0.54 4.29 0.10 0.44 8.01 -1.26 -4.76 118.70 124.99 3hx4 s GLU 270 Ca 0.24 2.25 -0.12 0.00 0.01 0.00 0.00 54.97 57.35 3hx4 s GLU 270 Cb -0.10 -3.13 -0.06 0.00 -4.31 0.00 0.00 34.13 26.53 3hx4 s GLU 270 CO -0.09 -0.38 0.47 -0.48 0.01 0.00 0.00 175.26 174.79 3hx4 s LEU 271 N -0.31 4.36 0.00 1.80 -0.00 -1.26 -1.48 118.68 121.79 3hx4 s LEU 271 Ca 0.59 0.93 0.28 0.00 -0.00 0.00 0.00 54.13 55.93 3hx4 s LEU 271 Cb -0.41 -3.06 1.09 0.00 -0.00 0.00 0.00 46.19 43.81 3hx4 s LEU 271 CO 0.42 0.16 1.77 -0.81 -0.00 0.00 0.00 176.35 177.89 3hx4 n PRO 272 N 0.96 1.33 -0.34 1.48 -0.04 -1.26 -4.93 135.00 132.20 3hx4 n PRO 272 Ca -0.07 -0.70 0.16 0.00 -0.04 0.00 0.00 63.50 62.85 3hx4 n PRO 272 Cb 0.52 -1.49 0.32 0.00 -0.04 0.00 0.00 33.50 32.81 3hx4 n PRO 272 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3hx4 n GLN 273 N -0.23 -0.08 -0.10 0.54 1.13 -1.03 -1.34 117.38 116.27 3hx4 n GLN 273 Ca 0.18 1.48 0.10 0.00 -1.94 0.00 0.00 57.00 56.81 3hx4 n GLN 273 Cb 0.32 -2.37 0.14 0.00 0.11 0.00 0.00 30.24 28.45 3hx4 n GLN 273 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 3hx4 n TRP 274 N -5.47 0.26 -0.26 1.08 7.02 -0.55 -4.69 117.44 114.84 3hx4 n TRP 274 Ca 0.25 -0.16 0.06 0.00 -1.02 0.00 0.00 57.50 56.63 3hx4 n TRP 274 Cb 0.81 -0.00 0.19 0.00 -2.42 0.00 0.00 31.31 29.89 3hx4 n TRP 274 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 3hx4 h LYS 275 N 3.87 0.37 0.00 -0.99 3.64 -1.46 -1.68 116.57 120.32 3hx4 h LYS 275 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3hx4 h LYS 275 Cb 0.87 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 3hx4 h LYS 275 CO 0.00 0.24 -0.04 1.63 -2.27 0.00 0.00 179.45 179.02 3hx4 n LYS 276 N -5.06 0.10 -2.49 1.90 4.01 -1.26 -4.88 118.16 110.49 3hx4 n LYS 276 Ca 0.15 0.08 -0.41 0.00 -0.51 0.00 0.00 58.31 57.61 3hx4 n LYS 276 Cb 0.45 -1.61 -0.04 0.00 -0.51 0.00 0.00 35.03 33.32 3hx4 n LYS 276 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 3hx4 s VAL 277 N -3.04 3.98 0.68 -0.18 1.01 -0.63 -4.99 120.40 117.22 3hx4 s VAL 277 Ca 0.13 1.57 -0.16 0.00 0.00 0.00 0.00 61.98 63.51 3hx4 s VAL 277 Cb 0.16 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3hx4 s VAL 277 CO 0.56 0.21 1.21 -0.94 0.00 0.00 0.00 175.10 176.14 3hx4 s SER 278 N 0.39 4.57 0.36 3.32 1.04 -1.26 -4.91 113.70 117.20 3hx4 s SER 278 Ca 0.53 2.37 0.03 0.00 0.48 0.00 0.00 55.95 59.36 3hx4 s SER 278 Cb -0.29 -2.59 0.67 0.00 0.10 0.00 0.00 66.02 63.91 3hx4 s SER 278 CO 0.33 -2.01 2.00 -0.33 0.98 0.00 0.00 173.24 174.20 3hx4 h GLU 279 N 0.12 0.79 -0.66 4.02 4.39 -1.98 -2.69 114.58 118.57 3hx4 h GLU 279 Ca -0.49 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 59.10 3hx4 h GLU 279 Cb 1.30 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.74 3hx4 h GLU 279 CO 0.52 0.52 0.17 1.03 -1.16 0.00 0.00 179.01 180.09 3hx4 h SER 280 N 0.82 1.00 -0.61 1.42 0.87 -1.99 0.26 113.55 115.31 3hx4 h SER 280 Ca 0.25 -0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 3hx4 h SER 280 Cb -0.01 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.66 3hx4 h SER 280 CO -0.06 0.96 0.18 0.00 -0.53 0.00 0.00 176.83 177.38 3hx4 h ALA 281 N 1.07 0.81 -0.49 6.23 0.00 -1.91 -2.29 119.26 122.68 3hx4 h ALA 281 Ca 0.21 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3hx4 h ALA 281 Cb 0.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hx4 h ALA 281 CO 0.00 0.49 0.03 0.87 0.00 0.00 0.00 179.25 180.64 3hx4 h LYS 282 N 0.89 0.80 -0.45 0.00 1.57 -1.11 -1.48 116.57 116.79 3hx4 h LYS 282 Ca 0.20 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3hx4 h LYS 282 Cb 0.31 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 3hx4 h LYS 282 CO -0.00 0.79 0.26 0.22 -0.57 0.00 0.00 179.45 180.14 3hx4 h ASP 283 N 0.75 0.42 -0.04 0.86 3.58 -0.28 0.13 116.42 121.85 3hx4 h ASP 283 Ca 0.15 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 3hx4 h ASP 283 Cb 0.42 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.38 3hx4 h ASP 283 CO 0.01 0.30 0.02 0.25 -2.88 0.00 0.00 179.24 176.95 3hx4 h LEU 284 N 0.53 0.05 -0.54 2.28 5.85 -0.86 -1.61 115.31 121.00 3hx4 h LEU 284 Ca 0.18 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.86 3hx4 h LEU 284 Cb 0.02 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.97 3hx4 h LEU 284 CO -0.08 0.16 0.19 0.40 -0.34 0.00 0.00 178.44 178.76 3hx4 h ILE 285 N -0.05 0.79 -0.90 4.05 2.04 -1.05 -0.06 117.51 122.32 3hx4 h ILE 285 Ca 0.01 -0.12 0.09 0.00 1.00 0.00 0.00 64.86 65.84 3hx4 h ILE 285 Cb 0.12 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 3hx4 h ILE 285 CO -0.00 0.07 0.58 0.03 0.00 0.00 0.00 178.15 178.83 3hx4 h ARG 286 N 0.36 0.89 -0.15 2.37 3.08 -0.48 0.17 114.38 120.63 3hx4 h ARG 286 Ca 0.27 -0.05 -0.18 0.00 0.07 0.00 0.00 59.98 60.09 3hx4 h ARG 286 Cb 0.31 -0.20 0.01 0.00 0.08 0.00 0.00 29.97 30.17 3hx4 h ARG 286 CO -0.28 0.59 -0.60 0.87 -1.07 0.00 0.00 179.97 179.48 3hx4 h LYS 287 N 0.91 0.66 0.00 0.04 1.57 -0.18 -2.74 116.57 116.84 3hx4 h LYS 287 Ca 0.41 -0.52 -0.10 0.00 -1.87 0.00 0.00 60.65 58.58 3hx4 h LYS 287 Cb 0.38 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3hx4 h LYS 287 CO -0.18 1.14 -0.46 0.52 -0.57 0.00 0.00 179.45 179.90 3hx4 h MET 288 N 0.34 0.00 -0.67 3.15 2.86 -0.71 -3.02 114.93 116.88 3hx4 h MET 288 Ca -0.03 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.49 3hx4 h MET 288 Cb 1.23 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.82 3hx4 h MET 288 CO 0.13 0.46 0.15 1.28 1.06 0.00 0.00 176.91 179.99 3hx4 n LEU 289 N -3.44 5.97 -4.71 1.22 4.77 0.57 -3.56 117.00 117.83 3hx4 n LEU 289 Ca 0.00 -3.10 -0.42 0.00 -0.03 0.00 0.00 56.01 52.46 3hx4 n LEU 289 Cb 0.61 -0.72 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 3hx4 n LEU 289 CO 0.39 0.73 1.20 -0.89 -1.33 0.00 0.00 177.39 177.48 3hx4 s THR 290 N -2.90 2.98 -0.02 -5.08 2.01 -1.03 -4.92 115.64 106.68 3hx4 s THR 290 Ca 0.55 0.64 -0.26 0.00 0.31 0.00 0.00 61.69 62.93 3hx4 s THR 290 Cb 0.43 -3.41 -0.20 0.00 0.01 0.00 0.00 72.50 69.33 3hx4 s THR 290 CO 0.15 0.03 1.28 0.22 -0.69 0.00 0.00 174.62 175.61 3hx4 h TYR 291 N 7.21 0.02 -2.89 4.92 5.03 -1.92 -3.42 116.97 125.91 3hx4 h TYR 291 Ca -0.42 -0.00 -0.56 0.00 2.58 0.00 0.00 58.73 60.32 3hx4 h TYR 291 Cb 1.20 -0.00 -0.03 0.00 1.55 0.00 0.00 36.73 39.44 3hx4 h TYR 291 CO 0.69 0.48 1.02 0.08 -1.32 0.00 0.00 178.16 179.11 3hx4 s VAL 292 N -4.31 3.97 0.24 1.81 1.01 -1.26 -4.89 120.40 116.97 3hx4 s VAL 292 Ca -0.16 1.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.89 3hx4 s VAL 292 Cb 0.02 -3.88 0.21 0.00 0.00 0.00 0.00 36.38 32.72 3hx4 s VAL 292 CO 0.68 -0.28 1.84 -0.65 0.00 0.00 0.00 175.10 176.69 3hx4 h PRO 293 N 9.49 0.89 0.00 2.72 0.11 -1.96 -0.78 132.00 142.47 3hx4 h PRO 293 Ca -0.30 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3hx4 h PRO 293 Cb 1.13 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3hx4 h PRO 293 CO 1.00 0.59 0.00 0.66 -0.21 0.00 0.00 178.00 180.03 3hx4 h SER 294 N 0.91 0.00 0.01 -2.05 4.64 -1.96 -1.63 113.55 113.48 3hx4 h SER 294 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3hx4 h SER 294 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3hx4 h SER 294 CO -0.18 0.00 -0.71 0.23 -0.87 0.00 0.00 176.83 175.30 3hx4 n MET 295 N -2.98 0.63 -2.51 4.77 2.81 -0.37 -4.94 117.12 114.53 3hx4 n MET 295 Ca -0.01 -0.52 -0.38 0.00 -1.81 0.00 0.00 57.70 54.98 3hx4 n MET 295 Cb 0.20 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.18 3hx4 n MET 295 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3hx4 s ARG 296 N -2.72 4.39 0.38 0.03 3.52 -0.61 -4.97 118.95 118.96 3hx4 s ARG 296 Ca 0.14 1.65 -0.27 0.00 -0.13 0.00 0.00 55.73 57.12 3hx4 s ARG 296 Cb 0.17 -2.85 -0.09 0.00 -1.56 0.00 0.00 34.95 30.62 3hx4 s ARG 296 CO 0.71 0.02 1.33 -1.50 -0.81 0.00 0.00 175.30 175.05 3hx4 s ILE 297 N -1.42 2.58 0.83 4.11 2.07 -1.18 -5.02 121.20 123.18 3hx4 s ILE 297 Ca 0.51 0.55 -0.11 0.00 -1.41 0.00 0.00 60.65 60.19 3hx4 s ILE 297 Cb -0.27 -3.34 0.09 0.00 0.13 0.00 0.00 42.46 39.07 3hx4 s ILE 297 CO 0.34 0.10 1.09 -0.94 -1.91 0.00 0.00 174.94 173.63 3hx4 s SER 298 N -0.58 4.14 0.16 4.50 1.04 -1.26 -4.86 113.70 116.84 3hx4 s SER 298 Ca 0.54 1.45 -0.15 0.00 0.48 0.00 0.00 55.95 58.27 3hx4 s SER 298 Cb -0.40 -2.17 0.04 0.00 0.10 0.00 0.00 66.02 63.59 3hx4 s SER 298 CO 0.52 -2.21 1.78 0.00 0.98 0.00 0.00 173.24 174.31 3hx4 h ALA 299 N -1.25 0.62 -0.89 5.32 0.00 -1.95 -0.62 119.26 120.49 3hx4 h ALA 299 Ca -0.47 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.45 3hx4 h ALA 299 Cb 1.27 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.79 3hx4 h ALA 299 CO 0.56 0.12 0.54 -0.09 0.00 0.00 0.00 179.25 180.39 3hx4 h ARG 300 N 0.65 0.91 0.00 0.00 2.43 -1.91 0.62 114.38 117.07 3hx4 h ARG 300 Ca 0.17 -0.05 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 3hx4 h ARG 300 Cb 0.01 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.34 3hx4 h ARG 300 CO -0.03 0.60 -0.61 -0.44 -1.51 0.00 0.00 179.97 177.98 3hx4 h ASP 301 N 0.93 0.00 -0.31 -3.80 3.32 -1.84 -1.93 116.42 112.78 3hx4 h ASP 301 Ca 0.41 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.32 3hx4 h ASP 301 Cb 0.30 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.84 3hx4 h ASP 301 CO -0.22 0.61 -0.37 0.00 -1.72 0.00 0.00 179.24 177.54 3hx4 h ALA 302 N 1.39 0.47 -0.78 3.45 0.00 -0.68 -1.10 119.26 122.01 3hx4 h ALA 302 Ca -0.01 -0.44 0.08 0.00 0.00 0.00 0.00 54.91 54.54 3hx4 h ALA 302 Cb 1.30 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3hx4 h ALA 302 CO 0.08 0.55 0.51 1.25 0.00 0.00 0.00 179.25 181.64 3hx4 h LEU 303 N 0.58 0.69 -0.86 0.00 5.85 -0.74 -1.51 115.31 119.32 3hx4 h LEU 303 Ca 0.04 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3hx4 h LEU 303 Cb 0.96 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3hx4 h LEU 303 CO 0.09 0.43 0.00 -0.67 -0.34 0.00 0.00 178.44 177.95 3hx4 n ASP 304 N -4.49 1.34 -4.75 1.25 2.03 -0.74 -4.37 116.55 106.81 3hx4 n ASP 304 Ca 0.12 -1.45 -0.39 0.00 0.52 0.00 0.00 54.79 53.59 3hx4 n ASP 304 Cb 0.27 -0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.70 3hx4 n ASP 304 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 3hx4 n HIS 305 N 0.05 2.53 -0.29 -0.67 -0.00 -0.44 -4.71 115.22 111.69 3hx4 n HIS 305 Ca 0.20 0.44 0.09 0.00 0.46 0.00 0.00 57.72 58.90 3hx4 n HIS 305 Cb 0.33 -2.42 0.32 0.00 -0.12 0.00 0.00 29.99 28.10 3hx4 n HIS 305 CO 0.00 0.00 0.00 1.49 0.46 0.00 0.00 176.34 178.29 3hx4 h GLU 306 N 1.92 0.81 -0.72 1.57 4.81 -1.90 0.77 114.58 121.84 3hx4 h GLU 306 Ca -0.51 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 58.62 3hx4 h GLU 306 Cb 1.28 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.45 3hx4 h GLU 306 CO 0.59 0.54 0.23 2.35 -0.73 0.00 0.00 179.01 181.99 3hx4 h TRP 307 N 0.84 1.15 -0.04 0.92 7.01 -1.90 0.90 115.95 124.82 3hx4 h TRP 307 Ca 0.43 -0.11 -0.09 0.00 2.11 0.00 0.00 58.89 61.23 3hx4 h TRP 307 Cb 0.51 -0.34 0.01 0.00 -2.10 0.00 0.00 29.16 27.24 3hx4 h TRP 307 CO -0.00 0.91 -0.34 0.82 -2.79 0.00 0.00 178.44 177.04 3hx4 h ILE 308 N 1.07 1.45 0.00 2.65 1.08 -1.53 -2.86 117.51 119.37 3hx4 h ILE 308 Ca 0.23 -1.82 -0.03 0.00 -0.39 0.00 0.00 64.86 62.85 3hx4 h ILE 308 Cb 0.30 2.46 -0.00 0.00 -3.07 0.00 0.00 36.82 36.50 3hx4 h ILE 308 CO -0.01 0.52 -0.16 1.56 -0.69 0.00 0.00 178.15 179.36 3hx4 h GLN 309 N -0.23 0.00 -0.12 2.37 1.08 -0.78 -3.32 115.11 114.10 3hx4 h GLN 309 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 3hx4 h GLN 309 Cb 1.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 3hx4 h GLN 309 CO 0.07 0.16 0.00 0.25 -0.95 0.00 0.00 178.83 178.36 3hx4 n THR 310 N -3.21 0.54 0.24 -0.54 -2.24 0.30 -4.65 114.28 104.72 3hx4 n THR 310 Ca 0.02 -0.77 0.09 0.00 -2.27 0.00 0.00 64.05 61.12 3hx4 n THR 310 Cb 0.49 0.80 0.61 0.00 -2.10 0.00 0.00 70.33 70.13 3hx4 n THR 310 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 3hx4 h TYR 311 N 1.36 0.00 -3.93 4.78 -0.00 -1.60 -3.42 116.97 114.15 3hx4 h TYR 311 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.55 3hx4 h TYR 311 Cb 0.49 0.00 -0.22 0.00 0.00 0.00 0.00 36.73 37.00 3hx4 h TYR 311 CO 0.08 0.16 -0.70 -0.08 -0.00 0.00 0.00 178.16 177.62 3hx4 s THR 312 N -4.39 0.09 -1.15 -0.90 -1.32 -1.26 -4.96 115.64 101.76 3hx4 s THR 312 Ca -0.03 -0.76 0.12 0.00 -1.21 0.00 0.00 61.69 59.81 3hx4 s THR 312 Cb 0.14 -0.22 0.27 0.00 -1.51 0.00 0.00 72.50 71.18 3hx4 s THR 312 CO 0.64 -0.42 1.17 0.29 -2.21 0.00 0.00 174.62 174.09 3hx4 n LYS 313 N 1.84 2.26 -1.80 7.08 4.76 -1.26 -4.99 118.16 126.05 3hx4 n LYS 313 Ca -0.22 -1.86 -0.42 0.00 -2.87 0.00 0.00 58.31 52.94 3hx4 n LYS 313 Cb 0.56 -1.28 -0.03 0.00 -1.84 0.00 0.00 35.03 32.44 3hx4 n LYS 313 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3hx4 s GLU 314 N -1.00 4.15 -0.11 1.97 2.12 -1.26 -5.00 118.70 119.58 3hx4 s GLU 314 Ca 0.22 2.53 -0.11 0.00 0.36 0.00 0.00 54.97 57.97 3hx4 s GLU 314 Cb 0.12 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.38 3hx4 s GLU 314 CO 0.17 -0.68 0.25 -0.65 -0.54 0.00 0.00 175.26 173.81 3hx4 s GLN 315 N 0.79 3.85 0.19 4.30 -1.52 -1.26 -5.07 119.66 120.95 3hx4 s GLN 315 Ca 0.71 0.07 -0.32 0.00 -1.95 0.00 0.00 55.36 53.86 3hx4 s GLN 315 Cb -0.47 -3.28 -0.11 0.00 -0.22 0.00 0.00 33.01 28.92 3hx4 s GLN 315 CO 0.35 0.57 1.67 0.42 -0.25 0.00 0.00 175.29 178.05 3hx4 s ILE 316 N -0.51 2.23 -0.21 1.08 1.01 -1.26 -4.97 121.20 118.56 3hx4 s ILE 316 Ca 0.17 0.16 -0.23 0.00 0.00 0.00 0.00 60.65 60.76 3hx4 s ILE 316 Cb -0.13 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 3hx4 s ILE 316 CO 0.06 0.01 0.72 -0.55 0.00 0.00 0.00 174.94 175.18 3hx4 s SER 317 N 1.16 6.76 -0.10 3.58 0.15 -1.26 -5.01 113.70 118.98 3hx4 s SER 317 Ca 0.73 0.93 0.01 0.00 0.70 0.00 0.00 55.95 58.32 3hx4 s SER 317 Cb -0.48 -2.39 0.02 0.00 -1.71 0.00 0.00 66.02 61.46 3hx4 s SER 317 CO 0.32 -0.38 -0.10 -0.69 1.20 0.00 0.00 173.24 173.59 3hx4 s VAL 318 N 2.30 1.16 0.28 4.45 1.01 -1.26 -4.99 120.40 123.36 3hx4 s VAL 318 Ca 0.32 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 3hx4 s VAL 318 Cb -0.16 -1.12 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 3hx4 s VAL 318 CO 0.10 0.38 1.04 1.51 0.00 0.00 0.00 175.10 178.13 3hx4 s ASP 319 N 1.30 7.33 0.19 3.32 3.84 -1.26 -4.93 116.67 126.46 3hx4 s ASP 319 Ca -0.02 2.13 -0.25 0.00 -0.00 0.00 0.00 52.55 54.41 3hx4 s ASP 319 Cb -0.14 -2.62 0.06 0.00 -1.38 0.00 0.00 42.92 38.85 3hx4 s ASP 319 CO -0.04 -0.08 1.55 0.58 -0.00 0.00 0.00 175.17 177.17 3hx4 h VAL 320 N 3.00 0.02 -0.80 2.11 2.07 -2.00 -1.45 116.25 119.19 3hx4 h VAL 320 Ca -0.46 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.25 3hx4 h VAL 320 Cb 1.21 0.02 -0.13 0.00 -1.52 0.00 0.00 31.29 30.86 3hx4 h VAL 320 CO 0.67 0.00 0.12 -0.65 0.02 0.00 0.00 177.57 177.73 3hx4 h PRO 321 N -0.06 0.16 -0.31 1.57 0.11 -1.99 0.12 132.00 131.61 3hx4 h PRO 321 Ca 0.23 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 66.19 3hx4 h PRO 321 Cb 0.51 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 3hx4 h PRO 321 CO -0.90 0.11 -0.35 0.77 -0.21 0.00 0.00 178.00 177.42 3hx4 h SER 322 N 0.17 0.84 -0.04 -2.05 0.02 -1.67 -0.31 113.55 110.52 3hx4 h SER 322 Ca 0.47 -0.48 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3hx4 h SER 322 Cb 0.87 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 3hx4 h SER 322 CO -0.64 1.15 0.01 0.25 -1.14 0.00 0.00 176.83 176.47 3hx4 h LEU 323 N 0.55 0.06 -0.18 5.07 5.85 -1.05 -0.68 115.31 124.91 3hx4 h LEU 323 Ca 0.04 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.63 3hx4 h LEU 323 Cb 0.93 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.89 3hx4 h LEU 323 CO 0.08 0.23 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.48 3hx4 h ASP 324 N -0.12 -0.49 -0.69 1.25 3.58 -0.98 0.91 116.42 119.89 3hx4 h ASP 324 Ca 0.01 0.10 0.09 0.00 0.42 0.00 0.00 57.03 57.65 3hx4 h ASP 324 Cb 0.19 0.24 -0.07 0.00 1.72 0.00 0.00 39.33 41.41 3hx4 h ASP 324 CO -0.00 -0.20 0.33 -1.13 -2.88 0.00 0.00 179.24 175.37 3hx4 h ASN 325 N -0.17 0.43 0.00 2.28 -1.24 -0.99 0.14 115.58 116.03 3hx4 h ASN 325 Ca 0.11 0.06 -0.00 0.00 0.71 0.00 0.00 56.30 57.18 3hx4 h ASN 325 Cb 0.33 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.37 3hx4 h ASN 325 CO -0.28 0.25 -0.00 0.00 -1.29 0.00 0.00 177.43 176.10 3hx4 h ALA 326 N 1.42 -0.00 -0.74 1.57 0.00 -0.25 -1.39 119.26 119.86 3hx4 h ALA 326 Ca 0.34 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hx4 h ALA 326 Cb 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3hx4 h ALA 326 CO -0.27 -0.41 0.46 0.82 0.00 0.00 0.00 179.25 179.86 3hx4 h ILE 327 N -0.19 1.20 -0.15 0.00 1.08 -0.56 0.53 117.51 119.43 3hx4 h ILE 327 Ca -0.00 -0.42 0.05 0.00 -0.39 0.00 0.00 64.86 64.10 3hx4 h ILE 327 Cb 0.19 0.15 -0.07 0.00 -3.07 0.00 0.00 36.82 34.02 3hx4 h ILE 327 CO 0.00 0.21 -0.34 0.25 -0.69 0.00 0.00 178.15 177.58 3hx4 h LEU 328 N 1.01 -1.06 -0.49 1.44 5.85 -0.63 0.54 115.31 121.97 3hx4 h LEU 328 Ca 0.27 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 59.14 3hx4 h LEU 328 Cb -0.06 0.45 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3hx4 h LEU 328 CO -0.05 -0.37 0.30 0.78 -0.34 0.00 0.00 178.44 178.75 3hx4 h ASN 329 N -0.40 0.58 -0.22 1.25 2.35 -0.90 -2.38 115.58 115.86 3hx4 h ASN 329 Ca 0.10 -0.05 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3hx4 h ASN 329 Cb 0.56 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.76 3hx4 h ASN 329 CO -0.37 0.46 0.06 0.40 -1.65 0.00 0.00 177.43 176.33 3hx4 h ILE 330 N 0.65 0.92 0.00 2.81 2.04 -0.50 -2.83 117.51 120.61 3hx4 h ILE 330 Ca 0.18 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.98 3hx4 h ILE 330 Cb -0.01 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 3hx4 h ILE 330 CO -0.03 0.03 0.00 0.08 0.00 0.00 0.00 178.15 178.22 3hx4 h ARG 331 N 0.15 0.00 -0.14 2.37 0.11 -0.67 -3.13 114.38 113.07 3hx4 h ARG 331 Ca 0.10 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.18 3hx4 h ARG 331 Cb 0.08 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.16 3hx4 h ARG 331 CO -0.11 0.00 0.00 1.04 0.10 0.00 0.00 179.97 181.00 3hx4 n GLN 332 N -2.36 1.72 0.15 0.08 6.02 -0.92 -4.25 117.38 117.81 3hx4 n GLN 332 Ca 0.04 -1.08 0.05 0.00 -0.01 0.00 0.00 57.00 56.00 3hx4 n GLN 332 Cb 0.35 -1.41 0.05 0.00 1.02 0.00 0.00 30.24 30.25 3hx4 n GLN 332 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 3hx4 h PHE 333 N 2.24 0.00 -1.41 1.08 3.57 -1.60 -3.47 116.94 117.35 3hx4 h PHE 333 Ca 0.00 0.00 -0.73 0.00 3.53 0.00 0.00 57.97 60.77 3hx4 h PHE 333 Cb 0.49 0.00 0.05 0.00 2.79 0.00 0.00 35.95 39.28 3hx4 h PHE 333 CO 0.09 0.36 0.34 1.04 -2.23 0.00 0.00 178.31 177.91 3hx4 n GLN 334 N -3.13 0.70 -0.05 1.11 3.00 -1.26 -2.86 117.38 114.89 3hx4 n GLN 334 Ca 0.01 0.25 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 3hx4 n GLN 334 Cb 0.68 -1.84 0.00 0.00 0.00 0.00 0.00 30.24 29.08 3hx4 n GLN 334 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hx4 n GLY 335 N 2.29 0.47 3.72 1.08 0.00 -1.26 -5.06 105.19 106.44 3hx4 n GLY 335 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3hx4 n GLY 335 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hx4 n THR 336 N -2.00 0.81 -1.71 2.61 -1.04 -1.13 -5.01 114.28 106.81 3hx4 n THR 336 Ca 0.00 -0.20 -0.29 0.00 -2.04 0.00 0.00 64.05 61.52 3hx4 n THR 336 Cb 0.00 -1.85 0.13 0.00 -1.82 0.00 0.00 70.33 66.79 3hx4 n THR 336 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hx4 s GLN 337 N -0.18 1.28 0.19 -2.82 1.03 -1.26 -4.82 119.66 113.08 3hx4 s GLN 337 Ca 0.67 0.11 0.05 0.00 0.04 0.00 0.00 55.36 56.23 3hx4 s GLN 337 Cb -0.54 -1.87 0.07 0.00 0.03 0.00 0.00 33.01 30.70 3hx4 s GLN 337 CO 0.46 -2.07 1.43 0.87 -2.54 0.00 0.00 175.29 173.45 3hx4 h LYS 338 N -1.40 0.14 -0.30 9.60 1.79 -1.95 -0.89 116.57 123.56 3hx4 h LYS 338 Ca -0.48 -0.14 -0.09 0.00 -2.18 0.00 0.00 60.65 57.76 3hx4 h LYS 338 Cb 1.32 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 32.00 3hx4 h LYS 338 CO 0.59 0.87 -0.16 1.25 -1.08 0.00 0.00 179.45 180.92 3hx4 h LEU 339 N 0.08 0.66 -0.65 2.94 5.85 -1.94 -1.65 115.31 120.60 3hx4 h LEU 339 Ca -0.03 -0.41 -0.09 0.00 0.84 0.00 0.00 57.88 58.19 3hx4 h LEU 339 Cb 1.41 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 3hx4 h LEU 339 CO 0.12 0.93 0.04 0.00 -0.34 0.00 0.00 178.44 179.19 3hx4 h ALA 340 N 0.75 0.87 -0.26 1.25 0.00 -1.90 -0.42 119.26 119.54 3hx4 h ALA 340 Ca 0.07 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3hx4 h ALA 340 Cb 0.69 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3hx4 h ALA 340 CO 0.05 0.67 0.15 0.37 0.00 0.00 0.00 179.25 180.49 3hx4 h GLN 341 N 1.01 0.31 -0.39 0.00 4.15 -1.12 -0.24 115.11 118.83 3hx4 h GLN 341 Ca 0.19 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.44 3hx4 h GLN 341 Cb 0.52 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 3hx4 h GLN 341 CO 0.02 0.20 -0.35 0.00 -1.93 0.00 0.00 178.83 176.78 3hx4 h ALA 342 N 1.12 0.57 0.75 3.38 0.00 -1.22 -2.02 119.26 121.83 3hx4 h ALA 342 Ca 0.10 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 3hx4 h ALA 342 Cb -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hx4 h ALA 342 CO -0.05 0.65 -0.45 0.00 0.00 0.00 0.00 179.25 179.41 3hx4 h ALA 343 N 0.78 -1.15 -0.84 0.00 0.00 -0.86 -1.32 119.26 115.87 3hx4 h ALA 343 Ca 0.07 -0.23 0.18 0.00 0.00 0.00 0.00 54.91 54.92 3hx4 h ALA 343 Cb 0.94 0.55 -0.11 0.00 0.00 0.00 0.00 17.79 19.17 3hx4 h ALA 343 CO 0.09 -1.16 0.37 -0.07 0.00 0.00 0.00 179.25 178.47 3hx4 h LEU 344 N -1.12 0.35 -0.71 0.00 3.38 -1.08 -1.64 115.31 114.49 3hx4 h LEU 344 Ca -0.10 0.12 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3hx4 h LEU 344 Cb 0.90 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 3hx4 h LEU 344 CO 0.11 0.09 -0.27 0.25 0.09 0.00 0.00 178.44 178.70 3hx4 h LEU 345 N 0.47 0.71 -0.13 1.67 5.85 -1.19 -0.42 115.31 122.27 3hx4 h LEU 345 Ca 0.49 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3hx4 h LEU 345 Cb 0.81 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3hx4 h LEU 345 CO -0.45 0.95 0.08 0.22 -0.34 0.00 0.00 178.44 178.90 3hx4 h TYR 346 N 0.60 0.16 -0.09 1.25 3.20 -0.50 0.11 116.97 121.70 3hx4 h TYR 346 Ca 0.08 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3hx4 h TYR 346 Cb 0.77 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.98 3hx4 h TYR 346 CO 0.04 0.13 0.03 0.52 -1.64 0.00 0.00 178.16 177.24 3hx4 h MET 347 N 0.15 0.14 -0.50 1.82 2.86 -1.13 -0.54 114.93 117.73 3hx4 h MET 347 Ca 0.05 -0.03 -0.12 0.00 -2.06 0.00 0.00 59.70 57.54 3hx4 h MET 347 Cb 0.01 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3hx4 h MET 347 CO -0.01 0.27 -0.15 0.78 1.06 0.00 0.00 176.91 178.86 3hx4 h GLY 348 N -0.02 1.04 1.25 8.32 0.00 -1.03 -2.02 103.07 110.62 3hx4 h GLY 348 Ca 0.03 -0.86 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 3hx4 h GLY 348 CO -0.00 0.79 -0.89 1.48 0.00 0.00 0.00 176.54 177.91 3hx4 h SER 349 N 0.85 0.00 0.00 0.19 4.64 -0.74 -3.38 113.55 115.11 3hx4 h SER 349 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3hx4 h SER 349 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3hx4 h SER 349 CO 0.05 0.19 -0.88 0.29 -0.87 0.00 0.00 176.83 175.60 3hx4 n LYS 350 N -2.85 0.84 -0.06 4.77 4.76 -0.22 -4.81 118.16 120.59 3hx4 n LYS 350 Ca -0.01 -0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.45 3hx4 n LYS 350 Cb 0.63 -0.94 0.03 0.00 -1.84 0.00 0.00 35.03 32.91 3hx4 n LYS 350 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3hx4 n LEU 351 N -1.44 1.47 -4.34 -0.35 4.32 -0.76 -5.00 117.00 110.90 3hx4 n LEU 351 Ca -0.00 -1.72 -0.32 0.00 -0.02 0.00 0.00 56.01 53.94 3hx4 n LEU 351 Cb 0.00 -0.09 -0.15 0.00 -1.62 0.00 0.00 43.42 41.56 3hx4 n LEU 351 CO 0.00 0.42 -0.50 0.42 -1.22 0.00 0.00 177.39 176.51 3hx4 s THR 352 N -1.10 2.58 0.74 -5.08 -4.23 -1.20 -4.96 115.64 102.39 3hx4 s THR 352 Ca 0.07 -0.86 -0.08 0.00 -1.18 0.00 0.00 61.69 59.64 3hx4 s THR 352 Cb 0.06 -2.01 0.08 0.00 1.34 0.00 0.00 72.50 71.97 3hx4 s THR 352 CO 0.01 0.56 1.06 -0.94 -0.54 0.00 0.00 174.62 174.77 3hx4 s SER 353 N -0.07 4.58 0.18 3.99 1.04 -1.26 -4.97 113.70 117.19 3hx4 s SER 353 Ca -0.04 0.42 -0.07 0.00 0.48 0.00 0.00 55.95 56.74 3hx4 s SER 353 Cb -0.14 -0.97 0.08 0.00 0.10 0.00 0.00 66.02 65.09 3hx4 s SER 353 CO 0.04 -1.77 1.54 0.06 0.98 0.00 0.00 173.24 174.10 3hx4 h GLN 354 N -0.75 0.80 -0.71 4.02 -0.00 -1.98 -2.42 115.11 114.06 3hx4 h GLN 354 Ca -0.44 -0.39 -0.06 0.00 -0.00 0.00 0.00 58.65 57.76 3hx4 h GLN 354 Cb 1.31 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.76 3hx4 h GLN 354 CO 0.57 1.02 0.22 0.22 -0.00 0.00 0.00 178.83 180.87 3hx4 h ASP 355 N 0.66 1.04 0.39 0.06 3.58 -2.00 -1.85 116.42 118.30 3hx4 h ASP 355 Ca 0.06 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.27 3hx4 h ASP 355 Cb 0.90 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 41.68 3hx4 h ASP 355 CO 0.08 0.97 -0.16 -0.33 -2.88 0.00 0.00 179.24 176.92 3hx4 h GLU 356 N 1.05 0.00 -0.33 0.28 5.08 -1.93 -3.25 114.58 115.49 3hx4 h GLU 356 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3hx4 h GLU 356 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3hx4 h GLU 356 CO -0.01 0.16 0.00 0.25 -1.00 0.00 0.00 179.01 178.41 3hx4 n THR 357 N -3.75 1.66 -0.08 1.13 -2.24 -0.76 -4.80 114.28 105.44 3hx4 n THR 357 Ca -0.02 -1.42 -0.07 0.00 -2.27 0.00 0.00 64.05 60.28 3hx4 n THR 357 Cb 0.27 0.12 -0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3hx4 n THR 357 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3hx4 h LYS 358 N 2.06 -0.13 -0.62 -0.78 1.57 -1.44 -0.89 116.57 116.35 3hx4 h LYS 358 Ca 0.00 0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 3hx4 h LYS 358 Cb 1.12 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 3hx4 h LYS 358 CO 0.12 -0.09 0.02 0.93 -0.57 0.00 0.00 179.45 179.87 3hx4 h GLU 359 N -0.14 1.08 -0.47 3.15 3.07 -1.89 -2.39 114.58 117.00 3hx4 h GLU 359 Ca 0.16 -0.33 -0.13 0.00 -0.50 0.00 0.00 59.36 58.57 3hx4 h GLU 359 Cb 0.39 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 3hx4 h GLU 359 CO -0.40 1.03 -0.22 -0.07 -1.40 0.00 0.00 179.01 177.95 3hx4 h LEU 360 N 0.99 0.98 -0.54 1.33 3.38 -1.83 -1.71 115.31 117.91 3hx4 h LEU 360 Ca 0.18 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3hx4 h LEU 360 Cb 0.53 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3hx4 h LEU 360 CO 0.03 1.16 0.33 0.74 0.09 0.00 0.00 178.44 180.79 3hx4 h THR 361 N 0.83 1.15 -0.73 0.22 2.02 -1.07 -0.04 112.91 115.29 3hx4 h THR 361 Ca 0.11 -0.32 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3hx4 h THR 361 Cb 0.79 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 3hx4 h THR 361 CO 0.07 0.15 0.47 0.00 0.37 0.00 0.00 175.52 176.58 3hx4 h ALA 362 N 1.17 0.93 -0.39 6.16 0.00 -1.26 -1.66 119.26 124.21 3hx4 h ALA 362 Ca 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3hx4 h ALA 362 Cb -0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3hx4 h ALA 362 CO -0.04 0.37 0.16 0.82 0.00 0.00 0.00 179.25 180.56 3hx4 h ILE 363 N 1.00 1.19 -0.14 0.00 2.04 -1.04 -0.82 117.51 119.74 3hx4 h ILE 363 Ca 0.27 -0.59 0.05 0.00 1.00 0.00 0.00 64.86 65.58 3hx4 h ILE 363 Cb -0.09 0.85 -0.06 0.00 -0.74 0.00 0.00 36.82 36.79 3hx4 h ILE 363 CO -0.06 0.22 -0.21 0.15 0.00 0.00 0.00 178.15 178.25 3hx4 h PHE 364 N 0.49 -0.56 -0.46 1.37 3.57 -0.66 -0.76 116.94 119.92 3hx4 h PHE 364 Ca 0.13 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 3hx4 h PHE 364 Cb 0.19 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 3hx4 h PHE 364 CO -0.00 -0.29 -0.01 0.45 -2.23 0.00 0.00 178.31 176.23 3hx4 h HIS 365 N -0.27 0.80 -0.55 0.41 3.86 -1.20 -0.23 115.15 117.98 3hx4 h HIS 365 Ca 0.10 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3hx4 h HIS 365 Cb 0.42 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 3hx4 h HIS 365 CO -0.33 0.75 0.36 -0.22 0.86 0.00 0.00 177.93 179.35 3hx4 h LYS 366 N 0.70 0.72 0.00 2.45 3.64 -0.71 -2.87 116.57 120.50 3hx4 h LYS 366 Ca 0.14 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.38 3hx4 h LYS 366 Cb 0.44 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3hx4 h LYS 366 CO 0.02 0.47 -0.46 0.52 -2.27 0.00 0.00 179.45 177.73 3hx4 h MET 367 N 0.74 0.00 -5.00 1.90 2.86 -0.80 -3.39 114.93 111.24 3hx4 h MET 367 Ca 0.20 0.00 -0.61 0.00 -2.06 0.00 0.00 59.70 57.23 3hx4 h MET 367 Cb -0.08 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.54 3hx4 h MET 367 CO -0.05 0.46 2.26 -3.47 1.06 0.00 0.00 176.91 177.18 3hx4 n ASP 368 N -3.46 3.80 -0.24 1.22 2.03 -0.13 -4.79 116.55 114.99 3hx4 n ASP 368 Ca 0.00 -2.81 0.02 0.00 0.52 0.00 0.00 54.79 52.53 3hx4 n ASP 368 Cb 0.60 -1.60 0.15 0.00 -0.72 0.00 0.00 41.12 39.55 3hx4 n ASP 368 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 3hx4 h LYS 369 N 7.62 0.52 -0.01 -0.67 1.79 -1.81 -0.77 116.57 123.24 3hx4 h LYS 369 Ca 0.43 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.87 3hx4 h LYS 369 Cb 0.78 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 3hx4 h LYS 369 CO 1.63 0.34 -0.07 0.27 -1.08 0.00 0.00 179.45 180.54 3hx4 n ASN 370 N -4.92 1.22 -1.36 0.86 6.94 -1.26 -4.94 115.26 111.80 3hx4 n ASN 370 Ca 0.12 -1.25 -0.15 0.00 -0.02 0.00 0.00 54.58 53.28 3hx4 n ASN 370 Cb 0.31 0.03 -0.04 0.00 -2.36 0.00 0.00 39.78 37.72 3hx4 n ASN 370 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hx4 n GLY 371 N 1.22 0.82 0.56 4.83 0.00 -0.29 -4.89 105.19 107.44 3hx4 n GLY 371 Ca 0.17 -0.30 0.09 0.00 0.00 0.00 0.00 46.02 45.98 3hx4 n GLY 371 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hx4 n ASP 372 N -0.57 1.67 -0.04 1.61 3.85 -1.26 -4.60 116.55 117.21 3hx4 n ASP 372 Ca -0.16 -1.78 -0.01 0.00 -0.71 0.00 0.00 54.79 52.14 3hx4 n ASP 372 Cb 0.54 -0.14 -0.00 0.00 -1.35 0.00 0.00 41.12 40.18 3hx4 n ASP 372 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hx4 n GLY 373 N 1.10 0.47 3.24 6.12 0.00 -1.26 -4.45 105.19 110.40 3hx4 n GLY 373 Ca 0.15 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 3hx4 n GLY 373 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hx4 s GLN 374 N -0.65 1.02 -0.26 1.61 -0.21 -1.26 -4.26 119.66 115.66 3hx4 s GLN 374 Ca 0.00 -1.07 -0.09 0.00 0.02 0.00 0.00 55.36 54.22 3hx4 s GLN 374 Cb 0.00 -1.19 -0.04 0.00 1.00 0.00 0.00 33.01 32.78 3hx4 s GLN 374 CO 0.00 0.27 0.13 -0.51 -2.12 0.00 0.00 175.29 173.07 3hx4 s LEU 375 N -1.80 3.80 0.52 2.90 1.43 -0.15 -4.83 118.68 120.54 3hx4 s LEU 375 Ca 0.03 -0.07 0.09 0.00 -1.03 0.00 0.00 54.13 53.15 3hx4 s LEU 375 Cb -0.10 -2.04 0.06 0.00 0.03 0.00 0.00 46.19 44.15 3hx4 s LEU 375 CO 0.03 -0.02 0.72 1.51 0.23 0.00 0.00 176.35 178.82 3hx4 s ASP 376 N 1.57 5.28 0.16 2.29 1.47 -1.26 -1.27 116.67 124.91 3hx4 s ASP 376 Ca 0.07 -0.68 -0.18 0.00 1.18 0.00 0.00 52.55 52.93 3hx4 s ASP 376 Cb -0.15 -0.05 0.08 0.00 -0.34 0.00 0.00 42.92 42.46 3hx4 s ASP 376 CO 0.07 -1.15 1.66 -0.09 0.68 0.00 0.00 175.17 176.34 3hx4 h ARG 377 N 0.32 -0.06 -0.68 2.11 2.43 -1.99 -1.25 114.38 115.26 3hx4 h ARG 377 Ca -0.34 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 58.89 3hx4 h ARG 377 Cb 1.29 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.80 3hx4 h ARG 377 CO 0.42 -0.04 0.40 0.00 -1.51 0.00 0.00 179.97 179.24 3hx4 h ALA 378 N 1.25 0.91 -0.51 2.80 0.00 -2.00 -1.29 119.26 120.42 3hx4 h ALA 378 Ca 0.18 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3hx4 h ALA 378 Cb 0.34 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hx4 h ALA 378 CO -0.41 0.10 0.01 0.93 0.00 0.00 0.00 179.25 179.88 3hx4 h GLU 379 N 0.74 0.86 -0.38 0.00 5.08 -1.73 -2.29 114.58 116.85 3hx4 h GLU 379 Ca 0.30 -0.23 -0.10 0.00 -1.00 0.00 0.00 59.36 58.33 3hx4 h GLU 379 Cb 0.15 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3hx4 h GLU 379 CO -0.16 0.85 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.45 3hx4 h LEU 380 N 0.80 0.71 -0.07 1.33 3.38 -0.83 -1.01 115.31 119.62 3hx4 h LEU 380 Ca 0.15 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hx4 h LEU 380 Cb 0.46 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hx4 h LEU 380 CO 0.02 0.89 0.04 0.40 0.09 0.00 0.00 178.44 179.88 3hx4 h ILE 381 N 0.64 1.07 -0.46 1.22 2.04 -0.95 -1.33 117.51 119.74 3hx4 h ILE 381 Ca 0.10 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 3hx4 h ILE 381 Cb 0.64 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 3hx4 h ILE 381 CO 0.05 0.06 0.19 -0.08 0.00 0.00 0.00 178.15 178.37 3hx4 h GLU 382 N 0.04 0.65 -0.28 2.37 4.57 -1.29 -1.12 114.58 119.52 3hx4 h GLU 382 Ca 0.03 -0.09 0.02 0.00 -1.18 0.00 0.00 59.36 58.14 3hx4 h GLU 382 Cb 0.06 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 3hx4 h GLU 382 CO -0.00 0.53 0.15 0.78 -1.18 0.00 0.00 179.01 179.29 3hx4 h GLY 383 N 0.79 0.38 1.00 1.92 0.00 -0.73 0.14 103.07 106.57 3hx4 h GLY 383 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3hx4 h GLY 383 CO -0.02 0.09 0.42 -0.97 0.00 0.00 0.00 176.54 176.06 3hx4 h TYR 384 N 0.30 0.85 -0.17 5.60 -1.99 -0.67 -2.10 116.97 118.79 3hx4 h TYR 384 Ca 0.11 0.01 -0.07 0.00 2.00 0.00 0.00 58.73 60.78 3hx4 h TYR 384 Cb 0.03 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.46 3hx4 h TYR 384 CO -0.09 0.55 -0.20 0.87 -0.00 0.00 0.00 178.16 179.29 3hx4 h LYS 385 N 0.90 0.30 -0.16 4.88 1.57 -0.88 -1.98 116.57 121.19 3hx4 h LYS 385 Ca 0.24 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 3hx4 h LYS 385 Cb -0.07 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 3hx4 h LYS 385 CO -0.05 0.50 -0.07 1.49 -0.57 0.00 0.00 179.45 180.75 3hx4 h GLU 386 N 0.27 0.34 -0.03 3.15 4.57 -0.43 -1.76 114.58 120.69 3hx4 h GLU 386 Ca 0.05 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.10 3hx4 h GLU 386 Cb 0.52 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.08 3hx4 h GLU 386 CO 0.03 0.64 -0.08 1.25 -1.18 0.00 0.00 179.01 179.67 3hx4 h LEU 387 N 0.02 -0.25 -0.66 1.64 7.12 -1.26 -0.20 115.31 121.72 3hx4 h LEU 387 Ca 0.04 0.04 0.11 0.00 0.13 0.00 0.00 57.88 58.20 3hx4 h LEU 387 Cb 0.53 0.11 -0.08 0.00 -0.53 0.00 0.00 40.66 40.70 3hx4 h LEU 387 CO 0.02 -0.12 0.24 0.24 -0.13 0.00 0.00 178.44 178.69 3hx4 h MET 388 N -0.13 0.40 0.14 1.25 2.86 -1.31 0.84 114.93 118.96 3hx4 h MET 388 Ca 0.04 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3hx4 h MET 388 Cb 0.19 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3hx4 h MET 388 CO -0.11 0.26 -0.07 0.00 1.06 0.00 0.00 176.91 178.06 3hx4 h ARG 389 N 0.41 -0.18 -0.76 1.72 3.08 -1.04 0.99 114.38 118.62 3hx4 h ARG 389 Ca 0.34 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.48 3hx4 h ARG 389 Cb 0.47 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 3hx4 h ARG 389 CO -0.35 -0.07 0.43 0.52 -1.07 0.00 0.00 179.97 179.43 3hx4 h MET 390 N -0.24 0.73 0.00 0.04 2.86 -0.44 -1.08 114.93 116.80 3hx4 h MET 390 Ca -0.02 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3hx4 h MET 390 Cb 0.19 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3hx4 h MET 390 CO 0.03 0.48 0.00 1.63 1.06 0.00 0.00 176.91 180.11 3hx4 n LYS 391 N -4.76 0.15 -2.78 1.72 5.02 0.23 -4.90 118.16 112.85 3hx4 n LYS 391 Ca 0.11 0.13 -0.09 0.00 -2.02 0.00 0.00 58.31 56.43 3hx4 n LYS 391 Cb 0.22 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.76 3hx4 n LYS 391 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hx4 n GLY 392 N 0.47 0.28 3.90 0.72 0.00 -0.41 -5.04 105.19 105.11 3hx4 n GLY 392 Ca 0.07 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 3hx4 n GLY 392 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hx4 s GLN 393 N -5.30 3.64 -0.37 1.61 -0.21 0.29 -5.04 119.66 114.29 3hx4 s GLN 393 Ca 0.19 0.06 -0.21 0.00 0.02 0.00 0.00 55.36 55.42 3hx4 s GLN 393 Cb -0.08 -2.60 0.01 0.00 1.00 0.00 0.00 33.01 31.33 3hx4 s GLN 393 CO 0.23 0.16 0.65 0.34 -2.12 0.00 0.00 175.29 174.56 3hx4 s ASP 394 N -3.24 6.43 0.30 5.90 -1.08 -1.26 -4.64 116.67 119.08 3hx4 s ASP 394 Ca 0.45 0.11 0.08 0.00 -0.52 0.00 0.00 52.55 52.66 3hx4 s ASP 394 Cb -0.11 -2.33 0.48 0.00 -1.46 0.00 0.00 42.92 39.50 3hx4 s ASP 394 CO 0.31 -0.63 1.71 0.00 0.52 0.00 0.00 175.17 177.08 3hx4 h ALA 395 N 8.52 1.13 0.00 3.66 0.00 -1.95 -2.90 119.26 127.72 3hx4 h ALA 395 Ca -0.26 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3hx4 h ALA 395 Cb 1.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3hx4 h ALA 395 CO 0.85 0.59 0.00 0.43 0.00 0.00 0.00 179.25 181.12 3hx4 n SER 396 N -4.02 0.51 0.09 0.00 7.64 -1.26 -2.08 113.62 114.51 3hx4 n SER 396 Ca -0.02 0.59 0.12 0.00 1.01 0.00 0.00 58.87 60.57 3hx4 n SER 396 Cb 0.48 -0.71 0.61 0.00 -1.01 0.00 0.00 64.21 63.58 3hx4 n SER 396 CO 0.00 0.00 0.00 -0.03 -3.01 0.00 0.00 175.04 172.00 3hx4 h MET 397 N 0.00 0.12 -6.43 1.43 -1.53 -1.94 -3.41 114.93 103.17 3hx4 h MET 397 Ca 0.00 -0.01 -0.54 0.00 -3.44 0.00 0.00 59.70 55.72 3hx4 h MET 397 Cb 0.48 -0.03 -0.03 0.00 -0.55 0.00 0.00 31.60 31.48 3hx4 h MET 397 CO 0.00 0.08 -0.13 -0.51 0.14 0.00 0.00 176.91 176.49 3hx4 s LEU 398 N -9.06 4.15 1.05 3.39 1.43 -0.88 -5.09 118.68 113.67 3hx4 s LEU 398 Ca -0.06 0.86 -0.13 0.00 -1.03 0.00 0.00 54.13 53.77 3hx4 s LEU 398 Cb 0.18 -3.63 0.22 0.00 0.03 0.00 0.00 46.19 42.99 3hx4 s LEU 398 CO 0.71 -0.09 1.07 1.51 0.23 0.00 0.00 176.35 179.78 3hx4 s ASP 399 N -2.53 2.07 0.36 2.29 1.47 -1.26 -4.93 116.67 114.14 3hx4 s ASP 399 Ca 0.46 1.27 0.04 0.00 1.18 0.00 0.00 52.55 55.51 3hx4 s ASP 399 Cb -0.11 -1.98 0.70 0.00 -0.34 0.00 0.00 42.92 41.20 3hx4 s ASP 399 CO 0.23 -3.49 2.00 0.00 0.68 0.00 0.00 175.17 174.59 3hx4 h ALA 400 N -2.13 1.63 -0.48 2.11 0.00 -1.94 -2.74 119.26 115.71 3hx4 h ALA 400 Ca -0.57 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3hx4 h ALA 400 Cb 1.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3hx4 h ALA 400 CO 0.56 0.31 0.00 -1.13 0.00 0.00 0.00 179.25 178.98 3hx4 n SER 401 N -4.46 4.36 -0.13 0.00 3.41 -1.26 -4.59 113.62 110.95 3hx4 n SER 401 Ca 0.08 -2.60 -0.09 0.00 -0.26 0.00 0.00 58.87 55.99 3hx4 n SER 401 Cb 0.12 -0.53 -0.01 0.00 -0.26 0.00 0.00 64.21 63.53 3hx4 n SER 401 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hx4 h ALA 402 N 3.09 0.51 -0.41 7.33 0.00 -1.84 -1.72 119.26 126.21 3hx4 h ALA 402 Ca 0.00 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3hx4 h ALA 402 Cb 1.41 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3hx4 h ALA 402 CO 0.23 0.14 0.10 0.28 0.00 0.00 0.00 179.25 180.00 3hx4 h VAL 403 N 0.48 1.23 -0.93 0.00 2.07 -1.81 -2.19 116.25 115.10 3hx4 h VAL 403 Ca 0.13 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 66.92 3hx4 h VAL 403 Cb 0.24 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 3hx4 h VAL 403 CO -0.01 0.27 0.59 -0.33 0.02 0.00 0.00 177.57 178.12 3hx4 h GLU 404 N 0.53 1.07 -0.08 1.57 5.08 -1.84 -0.80 114.58 120.11 3hx4 h GLU 404 Ca 0.13 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hx4 h GLU 404 Cb 0.31 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 3hx4 h GLU 404 CO 0.00 0.71 0.03 1.25 -1.00 0.00 0.00 179.01 180.00 3hx4 h HIS 405 N 1.10 0.12 -0.65 4.33 2.76 -1.17 -1.18 115.15 120.46 3hx4 h HIS 405 Ca 0.39 -0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.63 3hx4 h HIS 405 Cb 0.12 -0.04 -0.06 0.00 1.55 0.00 0.00 27.41 28.98 3hx4 h HIS 405 CO -0.02 0.24 0.32 1.49 -1.30 0.00 0.00 177.93 178.66 3hx4 h GLU 406 N -0.04 0.56 -0.20 5.26 4.57 -1.04 -2.66 114.58 121.03 3hx4 h GLU 406 Ca 0.03 -0.03 -0.16 0.00 -1.18 0.00 0.00 59.36 58.01 3hx4 h GLU 406 Cb 0.17 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3hx4 h GLU 406 CO -0.00 0.37 -0.55 0.28 -1.18 0.00 0.00 179.01 177.93 3hx4 h VAL 407 N 0.57 1.31 -0.76 0.32 2.07 -1.02 -1.36 116.25 117.39 3hx4 h VAL 407 Ca 0.31 -1.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 3hx4 h VAL 407 Cb 0.28 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 3hx4 h VAL 407 CO -0.24 0.56 0.46 0.44 0.02 0.00 0.00 177.57 178.82 3hx4 h ASP 408 N 0.46 0.90 -0.07 0.57 3.32 -1.04 0.17 116.42 120.73 3hx4 h ASP 408 Ca 0.01 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3hx4 h ASP 408 Cb 1.10 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 3hx4 h ASP 408 CO 0.11 0.69 -0.05 1.56 -1.72 0.00 0.00 179.24 179.83 3hx4 h GLN 409 N 1.04 0.16 -0.43 3.56 4.20 -1.31 -2.91 115.11 119.42 3hx4 h GLN 409 Ca 0.27 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.95 3hx4 h GLN 409 Cb -0.05 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 3hx4 h GLN 409 CO -0.05 0.55 0.20 0.28 -0.67 0.00 0.00 178.83 179.15 3hx4 h VAL 410 N -0.24 0.95 -0.09 -0.54 2.07 -1.03 -2.62 116.25 114.76 3hx4 h VAL 410 Ca 0.01 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.43 3hx4 h VAL 410 Cb 0.51 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3hx4 h VAL 410 CO 0.01 0.08 -0.23 -0.07 0.02 0.00 0.00 177.57 177.38 3hx4 h LEU 411 N 0.41 -0.71 -0.31 2.57 3.38 -0.72 0.87 115.31 120.81 3hx4 h LEU 411 Ca 0.19 0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.34 3hx4 h LEU 411 Cb 0.11 0.31 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 3hx4 h LEU 411 CO -0.14 -0.29 -0.13 -0.78 0.09 0.00 0.00 178.44 177.19 3hx4 h ASP 412 N -0.32 -0.45 -0.56 -0.43 3.58 -1.41 -1.42 116.42 115.41 3hx4 h ASP 412 Ca 0.09 0.11 -0.07 0.00 0.42 0.00 0.00 57.03 57.58 3hx4 h ASP 412 Cb 0.44 0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 3hx4 h ASP 412 CO -0.27 -0.16 0.06 0.00 -2.88 0.00 0.00 179.24 175.98 3hx4 h ALA 413 N 1.19 0.75 0.00 -0.78 0.00 -1.17 -3.34 119.26 115.91 3hx4 h ALA 413 Ca 0.16 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hx4 h ALA 413 Cb 0.32 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hx4 h ALA 413 CO -0.36 0.52 -1.56 0.28 0.00 0.00 0.00 179.25 178.13 3hx4 n VAL 414 N -4.31 0.17 -2.53 0.00 0.31 0.28 -4.67 118.33 107.59 3hx4 n VAL 414 Ca 0.02 -0.44 -0.41 0.00 -0.01 0.00 0.00 64.34 63.49 3hx4 n VAL 414 Cb 0.29 0.01 -0.01 0.00 -0.91 0.00 0.00 33.84 33.23 3hx4 n VAL 414 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hx4 s ASP 415 N -4.54 6.63 0.27 4.52 2.15 -0.54 -4.83 116.67 120.32 3hx4 s ASP 415 Ca -0.04 -2.29 0.00 0.00 0.43 0.00 0.00 52.55 50.65 3hx4 s ASP 415 Cb 0.13 -2.58 0.61 0.00 -0.30 0.00 0.00 42.92 40.78 3hx4 s ASP 415 CO 0.86 -1.39 1.72 -0.26 -0.17 0.00 0.00 175.17 175.93 3hx4 h PHE 416 N 7.96 0.64 -0.35 -5.34 -1.00 -1.83 -1.85 116.94 115.17 3hx4 h PHE 416 Ca 0.41 0.04 0.00 0.00 2.81 0.00 0.00 57.97 61.23 3hx4 h PHE 416 Cb 0.89 -0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.30 3hx4 h PHE 416 CO 1.40 0.04 0.00 -0.40 -1.61 0.00 0.00 178.31 177.74 3hx4 n ASP 417 N -4.99 3.32 -2.92 2.17 5.75 -1.15 -2.52 116.55 116.21 3hx4 n ASP 417 Ca 0.19 -1.98 -0.21 0.00 -0.01 0.00 0.00 54.79 52.78 3hx4 n ASP 417 Cb 0.53 -0.22 0.01 0.00 -1.03 0.00 0.00 41.12 40.41 3hx4 n ASP 417 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hx4 n LYS 418 N 1.41 -3.59 -0.04 0.11 4.76 -0.70 -4.87 118.16 115.25 3hx4 n LYS 418 Ca 0.19 0.76 0.12 0.00 -2.87 0.00 0.00 58.31 56.51 3hx4 n LYS 418 Cb 0.59 -5.52 0.48 0.00 -1.84 0.00 0.00 35.03 28.74 3hx4 n LYS 418 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 3hx4 n ASN 419 N -2.27 1.41 0.00 4.39 6.94 -1.26 -4.93 115.26 119.54 3hx4 n ASN 419 Ca -0.11 -1.57 0.00 0.00 -0.02 0.00 0.00 54.58 52.88 3hx4 n ASN 419 Cb 0.61 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 3hx4 n ASN 419 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hx4 n GLY 420 N 1.12 0.68 3.14 4.83 0.00 -1.26 -5.04 105.19 108.67 3hx4 n GLY 420 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 3hx4 n GLY 420 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hx4 s TYR 421 N -2.45 0.92 -0.36 1.61 2.02 -1.26 -4.65 117.35 113.18 3hx4 s TYR 421 Ca 0.00 -0.68 -0.13 0.00 -0.37 0.00 0.00 57.07 55.89 3hx4 s TYR 421 Cb 0.00 -0.52 -0.00 0.00 -0.40 0.00 0.00 41.96 41.04 3hx4 s TYR 421 CO 0.00 -0.06 0.25 0.42 -1.57 0.00 0.00 175.55 174.59 3hx4 s ILE 422 N -2.45 5.19 0.59 2.71 1.01 -0.39 -4.78 121.20 123.08 3hx4 s ILE 422 Ca 0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.23 3hx4 s ILE 422 Cb -0.03 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.72 3hx4 s ILE 422 CO -0.01 -0.12 0.86 -1.61 0.00 0.00 0.00 174.94 174.07 3hx4 s GLU 423 N 1.69 2.65 0.22 2.79 8.01 -1.26 -0.98 118.70 131.82 3hx4 s GLU 423 Ca 0.05 -0.34 -0.07 0.00 0.01 0.00 0.00 54.97 54.62 3hx4 s GLU 423 Cb -0.18 -2.34 0.34 0.00 -4.31 0.00 0.00 34.13 27.64 3hx4 s GLU 423 CO 0.10 -0.78 1.76 -0.92 0.01 0.00 0.00 175.26 175.43 3hx4 h TYR 424 N -0.14 0.55 -0.10 1.61 3.20 -1.77 -1.49 116.97 118.84 3hx4 h TYR 424 Ca -0.44 0.03 -0.17 0.00 3.14 0.00 0.00 58.73 61.29 3hx4 h TYR 424 Cb 1.28 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 3hx4 h TYR 424 CO 0.41 0.17 -0.66 0.77 -1.64 0.00 0.00 178.16 177.21 3hx4 h SER 425 N 0.53 0.45 -0.38 -2.11 0.02 -1.94 -1.92 113.55 108.21 3hx4 h SER 425 Ca 0.35 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3hx4 h SER 425 Cb 0.41 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 3hx4 h SER 425 CO -0.30 0.99 0.24 -0.33 -1.14 0.00 0.00 176.83 176.29 3hx4 h GLU 426 N 0.28 0.47 0.15 3.45 5.08 -1.81 -2.27 114.58 119.94 3hx4 h GLU 426 Ca -0.02 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 3hx4 h GLU 426 Cb 1.21 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3hx4 h GLU 426 CO 0.11 0.31 -0.07 0.35 -1.00 0.00 0.00 179.01 178.71 3hx4 h PHE 427 N 0.49 -0.19 -0.72 4.33 3.57 -1.12 -2.69 116.94 120.60 3hx4 h PHE 427 Ca 0.14 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 3hx4 h PHE 427 Cb -0.04 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3hx4 h PHE 427 CO -0.06 -0.00 0.24 0.28 -2.23 0.00 0.00 178.31 176.53 3hx4 h VAL 428 N -0.34 1.26 -0.40 1.41 2.07 -1.35 0.25 116.25 119.14 3hx4 h VAL 428 Ca -0.02 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 66.68 3hx4 h VAL 428 Cb 0.27 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3hx4 h VAL 428 CO 0.03 0.35 0.09 0.74 0.02 0.00 0.00 177.57 178.80 3hx4 h THR 429 N 1.07 0.81 0.09 2.57 2.02 -1.37 -1.53 112.91 116.56 3hx4 h THR 429 Ca 0.23 -0.08 -0.30 0.00 0.77 0.00 0.00 66.41 67.03 3hx4 h THR 429 Cb 0.29 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3hx4 h THR 429 CO -0.01 0.04 -1.59 0.58 0.37 0.00 0.00 175.52 174.92 3hx4 h VAL 430 N 0.23 1.07 0.00 3.16 2.07 -1.14 -3.36 116.25 118.28 3hx4 h VAL 430 Ca 0.19 -2.76 -0.10 0.00 0.82 0.00 0.00 66.70 64.86 3hx4 h VAL 430 Cb 0.22 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 3hx4 h VAL 430 CO -0.24 0.78 -0.45 0.00 0.02 0.00 0.00 177.57 177.67 3hx4 h ALA 431 N 0.56 0.78 -2.87 1.67 0.00 -0.48 -3.36 119.26 115.57 3hx4 h ALA 431 Ca -0.26 -0.41 -0.53 0.00 0.00 0.00 0.00 54.91 53.71 3hx4 h ALA 431 Cb 2.00 -0.07 0.10 0.00 0.00 0.00 0.00 17.79 19.82 3hx4 h ALA 431 CO 0.14 0.57 0.57 1.41 0.00 0.00 0.00 179.25 181.94 3hx4 s MET 432 N -3.19 3.61 -0.16 0.00 1.75 -0.58 -4.49 119.30 116.24 3hx4 s MET 432 Ca 0.03 2.07 -0.37 0.00 -1.25 0.00 0.00 55.69 56.17 3hx4 s MET 432 Cb 0.09 -2.47 -0.14 0.00 2.84 0.00 0.00 34.83 35.14 3hx4 s MET 432 CO 0.72 -0.76 1.77 -3.47 -0.65 0.00 0.00 175.02 172.63 3hx4 n ASP 433 N -0.47 2.81 -0.22 1.11 -0.08 -1.26 -4.88 116.55 113.56 3hx4 n ASP 433 Ca 0.07 1.04 -0.07 0.00 -1.51 0.00 0.00 54.79 54.32 3hx4 n ASP 433 Cb 0.45 -1.25 0.03 0.00 2.34 0.00 0.00 41.12 42.70 3hx4 n ASP 433 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3hx4 h ARG 434 N 7.83 0.92 -0.74 -0.67 9.65 -1.92 -1.55 114.38 127.89 3hx4 h ARG 434 Ca -0.47 -0.16 0.03 0.00 -1.10 0.00 0.00 59.98 58.27 3hx4 h ARG 434 Cb 1.30 -0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 29.69 3hx4 h ARG 434 CO 0.94 0.77 0.49 0.87 2.80 0.00 0.00 179.97 185.85 3hx4 h LYS 435 N 0.86 0.91 -0.25 0.20 6.56 -1.92 -1.37 116.57 121.56 3hx4 h LYS 435 Ca 0.21 -0.05 -0.04 0.00 -1.06 0.00 0.00 60.65 59.70 3hx4 h LYS 435 Cb 0.19 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 31.64 3hx4 h LYS 435 CO -0.02 0.60 -0.00 1.15 -2.06 0.00 0.00 179.45 179.12 3hx4 h THR 436 N 0.94 1.26 -0.31 -0.16 2.02 -1.74 -3.17 112.91 111.74 3hx4 h THR 436 Ca 0.29 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 66.56 3hx4 h THR 436 Cb 0.00 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.75 3hx4 h THR 436 CO -0.08 0.29 0.20 0.25 0.37 0.00 0.00 175.52 176.55 3hx4 h LEU 437 N 0.22 0.36 -5.23 2.58 5.85 -1.01 -3.31 115.31 114.78 3hx4 h LEU 437 Ca 0.07 -0.02 -0.69 0.00 0.84 0.00 0.00 57.88 58.08 3hx4 h LEU 437 Cb 0.42 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3hx4 h LEU 437 CO 0.01 0.27 3.44 0.18 -0.34 0.00 0.00 178.44 182.00 3hx4 n LEU 438 N -4.86 8.50 -4.78 2.25 4.77 -0.54 -4.82 117.00 117.51 3hx4 n LEU 438 Ca -0.01 -4.50 -0.33 0.00 -0.03 0.00 0.00 56.01 51.14 3hx4 n LEU 438 Cb 0.03 -1.51 0.04 0.00 -2.33 0.00 0.00 43.42 39.65 3hx4 n LEU 438 CO 0.34 2.03 0.73 -0.94 -1.33 0.00 0.00 177.39 178.22 3hx4 s SER 439 N 1.71 5.30 0.27 -1.43 1.04 -1.25 -4.87 113.70 114.47 3hx4 s SER 439 Ca 0.65 1.91 -0.05 0.00 0.48 0.00 0.00 55.95 58.93 3hx4 s SER 439 Cb 0.18 -2.54 0.51 0.00 0.10 0.00 0.00 66.02 64.27 3hx4 s SER 439 CO -0.07 -1.50 1.60 -0.09 0.98 0.00 0.00 173.24 174.16 3hx4 h ARG 440 N 0.04 0.04 -0.15 4.02 2.43 -1.95 -1.35 114.38 117.46 3hx4 h ARG 440 Ca -0.46 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.64 3hx4 h ARG 440 Cb 1.23 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3hx4 h ARG 440 CO 0.55 0.03 -0.14 0.93 -1.51 0.00 0.00 179.97 179.82 3hx4 h GLU 441 N 0.04 0.36 -0.82 0.20 3.07 -1.92 -1.34 114.58 114.17 3hx4 h GLU 441 Ca 0.47 -0.19 0.01 0.00 -0.50 0.00 0.00 59.36 59.15 3hx4 h GLU 441 Cb 0.85 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 28.72 3hx4 h GLU 441 CO -0.82 0.74 0.54 -0.09 -1.40 0.00 0.00 179.01 177.99 3hx4 h ARG 442 N -0.00 1.09 0.16 2.33 9.65 -1.82 0.89 114.38 126.69 3hx4 h ARG 442 Ca 0.02 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 3hx4 h ARG 442 Cb 0.67 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 3hx4 h ARG 442 CO 0.04 0.72 -0.11 -0.07 2.80 0.00 0.00 179.97 183.35 3hx4 h LEU 443 N 1.12 -0.28 -0.08 3.80 3.38 -1.16 0.13 115.31 122.22 3hx4 h LEU 443 Ca 0.30 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.32 3hx4 h LEU 443 Cb -0.12 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3hx4 h LEU 443 CO -0.06 -0.18 -0.09 -0.08 0.09 0.00 0.00 178.44 178.11 3hx4 h GLU 444 N -0.28 -0.12 -0.30 1.13 4.81 -0.95 -0.14 114.58 118.73 3hx4 h GLU 444 Ca -0.01 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3hx4 h GLU 444 Cb 0.24 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 3hx4 h GLU 444 CO 0.00 -0.08 0.00 -0.09 -0.73 0.00 0.00 179.01 178.12 3hx4 h ARG 445 N -0.12 0.09 -0.19 1.92 9.65 -0.71 -1.66 114.38 123.36 3hx4 h ARG 445 Ca 0.06 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 3hx4 h ARG 445 Cb 0.21 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.76 3hx4 h ARG 445 CO -0.15 0.06 0.13 0.00 2.80 0.00 0.00 179.97 182.80 3hx4 h ALA 446 N 1.26 0.24 -0.23 2.80 0.00 -0.53 -1.96 119.26 120.83 3hx4 h ALA 446 Ca 0.14 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hx4 h ALA 446 Cb 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3hx4 h ALA 446 CO -0.24 -0.28 0.10 0.35 0.00 0.00 0.00 179.25 179.18 3hx4 h PHE 447 N 0.26 0.18 0.00 0.00 3.57 -0.63 -2.11 116.94 118.21 3hx4 h PHE 447 Ca 0.07 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 3hx4 h PHE 447 Cb -0.03 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3hx4 h PHE 447 CO -0.07 0.09 -0.21 0.00 -2.23 0.00 0.00 178.31 175.89 3hx4 h ARG 448 N 0.22 0.00 -0.16 1.11 3.08 -1.27 0.17 114.38 117.52 3hx4 h ARG 448 Ca 0.10 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3hx4 h ARG 448 Cb 0.05 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3hx4 h ARG 448 CO -0.09 0.21 0.05 1.98 -1.07 0.00 0.00 179.97 181.06 3hx4 h MET 449 N 0.00 0.26 -0.21 0.04 4.05 -0.71 -3.19 114.93 115.17 3hx4 h MET 449 Ca -0.00 -0.05 -0.16 0.00 -0.28 0.00 0.00 59.70 59.20 3hx4 h MET 449 Cb 0.40 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.15 3hx4 h MET 449 CO 0.03 0.37 -0.54 0.74 0.23 0.00 0.00 176.91 177.74 3hx4 h PHE 450 N 0.09 0.76 -0.07 1.39 0.04 -1.11 -3.38 116.94 114.66 3hx4 h PHE 450 Ca 0.05 -0.27 -0.71 0.00 2.80 0.00 0.00 57.97 59.85 3hx4 h PHE 450 Cb 0.22 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.18 3hx4 h PHE 450 CO -0.00 1.01 3.06 -3.47 -0.60 0.00 0.00 178.31 178.31 3hx4 n ASP 451 N -3.97 3.96 -0.04 2.17 2.03 0.56 -4.78 116.55 116.47 3hx4 n ASP 451 Ca -0.03 -2.85 -0.08 0.00 0.52 0.00 0.00 54.79 52.35 3hx4 n ASP 451 Cb 0.60 -1.67 -0.02 0.00 -0.72 0.00 0.00 41.12 39.31 3hx4 n ASP 451 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3hx4 h SER 452 N 6.12 -0.24 -0.12 1.67 0.02 -1.75 -1.73 113.55 117.51 3hx4 h SER 452 Ca 0.56 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.58 3hx4 h SER 452 Cb 0.66 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.35 3hx4 h SER 452 CO 1.86 -0.09 0.00 -0.90 -1.14 0.00 0.00 176.83 176.55 3hx4 n ASP 453 N -5.22 0.74 -2.37 3.07 3.85 -1.26 -4.78 116.55 110.57 3hx4 n ASP 453 Ca -0.02 -1.84 -0.19 0.00 -0.71 0.00 0.00 54.79 52.03 3hx4 n ASP 453 Cb 0.15 -0.08 -0.01 0.00 -1.35 0.00 0.00 41.12 39.83 3hx4 n ASP 453 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3hx4 n ASN 454 N -0.17 -5.50 0.08 -1.12 5.03 -0.65 -4.87 115.26 108.06 3hx4 n ASN 454 Ca 0.08 0.05 0.13 0.00 0.87 0.00 0.00 54.58 55.71 3hx4 n ASN 454 Cb 0.14 -4.60 0.46 0.00 -1.02 0.00 0.00 39.78 34.76 3hx4 n ASN 454 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3hx4 n SER 455 N -1.94 0.56 0.00 6.41 3.41 -1.26 -4.90 113.62 115.90 3hx4 n SER 455 Ca -0.23 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.95 3hx4 n SER 455 Cb 0.67 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3hx4 n SER 455 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hx4 n GLY 456 N 1.15 0.64 2.87 5.00 0.00 -1.26 -5.06 105.19 108.53 3hx4 n GLY 456 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 3hx4 n GLY 456 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx4 s LYS 457 N -0.78 0.01 -0.11 1.61 1.02 -1.26 -3.69 119.74 116.55 3hx4 s LYS 457 Ca 0.00 -0.01 -0.22 0.00 0.02 0.00 0.00 55.97 55.77 3hx4 s LYS 457 Cb 0.00 -0.01 -0.03 0.00 -0.52 0.00 0.00 37.83 37.27 3hx4 s LYS 457 CO 0.00 0.00 0.63 0.42 -0.92 0.00 0.00 175.35 175.48 3hx4 s ILE 458 N -0.01 5.07 0.36 2.17 1.01 0.16 -4.79 121.20 125.17 3hx4 s ILE 458 Ca -0.00 1.27 0.07 0.00 0.00 0.00 0.00 60.65 61.99 3hx4 s ILE 458 Cb -0.00 -3.97 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 3hx4 s ILE 458 CO -0.00 0.23 0.44 -0.94 0.00 0.00 0.00 174.94 174.67 3hx4 s SER 459 N 0.85 5.68 0.37 3.58 1.04 -1.26 -0.70 113.70 123.25 3hx4 s SER 459 Ca 0.33 -0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.45 3hx4 s SER 459 Cb -0.17 -1.01 0.73 0.00 0.10 0.00 0.00 66.02 65.67 3hx4 s SER 459 CO 0.14 -0.49 2.01 0.77 0.98 0.00 0.00 173.24 176.66 3hx4 h SER 460 N 0.95 0.59 -0.56 7.02 4.64 -1.98 -1.96 113.55 122.23 3hx4 h SER 460 Ca -0.44 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 3hx4 h SER 460 Cb 1.26 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 3hx4 h SER 460 CO 0.53 0.45 0.04 0.71 -0.87 0.00 0.00 176.83 177.69 3hx4 h THR 461 N 0.68 1.26 0.00 2.95 1.35 -1.97 -0.29 112.91 116.90 3hx4 h THR 461 Ca 0.18 -1.06 -0.05 0.00 -0.55 0.00 0.00 66.41 64.93 3hx4 h THR 461 Cb -0.03 0.84 -0.01 0.00 -1.73 0.00 0.00 68.15 67.23 3hx4 h THR 461 CO -0.03 0.38 -0.23 -0.33 -0.25 0.00 0.00 175.52 175.06 3hx4 h GLU 462 N 0.86 0.00 -0.07 4.72 5.08 -1.80 -0.24 114.58 123.13 3hx4 h GLU 462 Ca 0.16 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 3hx4 h GLU 462 Cb 0.49 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.75 3hx4 h GLU 462 CO 0.02 0.23 -0.44 1.25 -1.00 0.00 0.00 179.01 179.06 3hx4 h LEU 463 N 0.00 0.51 -0.51 1.33 6.46 -1.06 -2.92 115.31 119.12 3hx4 h LEU 463 Ca -0.00 -0.67 0.06 0.00 -0.12 0.00 0.00 57.88 57.15 3hx4 h LEU 463 Cb 0.44 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.17 3hx4 h LEU 463 CO 0.03 1.10 0.21 0.00 -0.62 0.00 0.00 178.44 179.16 3hx4 h ALA 464 N 0.42 0.64 -0.13 1.25 0.00 -0.66 -2.74 119.26 118.04 3hx4 h ALA 464 Ca -0.04 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hx4 h ALA 464 Cb 1.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3hx4 h ALA 464 CO 0.09 -0.18 0.05 1.15 0.00 0.00 0.00 179.25 180.37 3hx4 h THR 465 N 0.40 1.15 -0.56 0.00 2.02 -1.13 -0.48 112.91 114.31 3hx4 h THR 465 Ca 0.24 -0.44 0.02 0.00 0.77 0.00 0.00 66.41 67.00 3hx4 h THR 465 Cb 0.23 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3hx4 h THR 465 CO -0.22 0.13 0.37 -0.29 0.37 0.00 0.00 175.52 175.88 3hx4 h ILE 466 N 0.05 1.12 0.00 3.11 2.10 -1.43 0.12 117.51 122.58 3hx4 h ILE 466 Ca 0.04 -0.25 0.00 0.00 1.08 0.00 0.00 64.86 65.73 3hx4 h ILE 466 Cb 0.16 0.33 0.00 0.00 -1.09 0.00 0.00 36.82 36.22 3hx4 h ILE 466 CO -0.00 0.13 0.00 0.49 -1.08 0.00 0.00 178.15 177.69 3hx4 n PHE 467 N -4.46 0.00 -1.24 2.19 3.01 -1.04 -4.66 117.46 111.26 3hx4 n PHE 467 Ca 0.06 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.44 3hx4 n PHE 467 Cb 0.08 -0.21 -0.03 0.00 -0.01 0.00 0.00 39.48 39.31 3hx4 n PHE 467 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hx4 n GLY 468 N 0.71 0.95 3.70 1.37 0.00 0.42 -4.87 105.19 107.47 3hx4 n GLY 468 Ca 0.13 -0.70 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 3hx4 n GLY 468 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hx4 s VAL 469 N -2.28 3.82 -0.02 1.61 0.11 -0.21 -5.01 120.40 118.42 3hx4 s VAL 469 Ca 0.00 -1.62 -0.25 0.00 -2.93 0.00 0.00 61.98 57.18 3hx4 s VAL 469 Cb 0.00 -3.01 -0.20 0.00 -1.53 0.00 0.00 36.38 31.64 3hx4 s VAL 469 CO 0.00 -0.29 1.23 0.28 -3.33 0.00 0.00 175.10 173.00 3hx4 h SER 470 N 2.02 0.08 -3.74 3.54 0.02 -1.94 -3.33 113.55 110.20 3hx4 h SER 470 Ca -0.46 -0.54 -0.22 0.00 -0.84 0.00 0.00 61.79 59.73 3hx4 h SER 470 Cb 1.23 -0.02 -0.28 0.00 0.14 0.00 0.00 62.40 63.47 3hx4 h SER 470 CO 0.60 0.60 -0.65 -1.81 -1.14 0.00 0.00 176.83 174.42 3hx4 s ASP 471 N -5.83 -0.06 0.05 3.07 1.01 -1.26 -4.85 116.67 108.80 3hx4 s ASP 471 Ca -0.16 0.12 -0.24 0.00 0.71 0.00 0.00 52.55 52.98 3hx4 s ASP 471 Cb 0.02 0.12 -0.06 0.00 1.01 0.00 0.00 42.92 44.01 3hx4 s ASP 471 CO 0.69 -0.03 0.74 -0.69 0.21 0.00 0.00 175.17 176.10 3hx4 s VAL 472 N 0.08 4.71 0.19 -1.27 1.01 -1.26 -4.99 120.40 118.87 3hx4 s VAL 472 Ca -0.00 1.59 -0.31 0.00 0.00 0.00 0.00 61.98 63.25 3hx4 s VAL 472 Cb -0.01 -4.09 -0.16 0.00 0.00 0.00 0.00 36.38 32.12 3hx4 s VAL 472 CO -0.00 0.39 0.91 0.47 0.00 0.00 0.00 175.10 176.87 3hx4 n ASP 473 N 2.63 0.35 -0.29 3.32 9.92 -1.26 -4.84 116.55 126.38 3hx4 n ASP 473 Ca -0.03 1.15 0.10 0.00 -0.53 0.00 0.00 54.79 55.47 3hx4 n ASP 473 Cb 0.50 -1.12 0.33 0.00 -0.64 0.00 0.00 41.12 40.19 3hx4 n ASP 473 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 3hx4 h SER 474 N 2.21 0.75 -0.40 -2.24 0.87 -2.00 -1.93 113.55 110.82 3hx4 h SER 474 Ca -0.38 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.10 3hx4 h SER 474 Cb 1.38 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 3hx4 h SER 474 CO 0.63 0.40 -0.20 -0.33 -0.53 0.00 0.00 176.83 176.79 3hx4 h GLU 475 N 0.80 0.89 -0.28 2.24 4.39 -2.00 -2.43 114.58 118.19 3hx4 h GLU 475 Ca 0.45 -0.36 -0.08 0.00 0.34 0.00 0.00 59.36 59.71 3hx4 h GLU 475 Cb 0.60 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 3hx4 h GLU 475 CO -0.21 1.01 -0.15 1.15 -1.16 0.00 0.00 179.01 179.65 3hx4 h THR 476 N 0.78 1.30 -0.40 1.13 2.02 -1.74 -2.20 112.91 113.79 3hx4 h THR 476 Ca 0.11 -1.24 -0.05 0.00 0.77 0.00 0.00 66.41 65.99 3hx4 h THR 476 Cb 0.75 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 3hx4 h THR 476 CO 0.06 0.39 0.02 -0.25 0.37 0.00 0.00 175.52 176.12 3hx4 h TRP 477 N 0.34 0.65 -0.40 3.16 -0.00 -1.41 -2.80 115.95 115.49 3hx4 h TRP 477 Ca 0.06 -0.07 -0.04 0.00 -0.00 0.00 0.00 58.89 58.85 3hx4 h TRP 477 Cb 0.67 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 29.62 3hx4 h TRP 477 CO 0.06 0.61 0.10 -0.22 -0.00 0.00 0.00 178.44 178.99 3hx4 h LYS 478 N 0.60 0.63 0.00 2.65 1.63 -1.25 -1.45 116.57 119.38 3hx4 h LYS 478 Ca 0.13 -0.15 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 3hx4 h LYS 478 Cb 0.34 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.88 3hx4 h LYS 478 CO 0.01 0.65 -0.14 0.66 -3.45 0.00 0.00 179.45 177.17 3hx4 h SER 479 N 0.50 0.00 0.25 4.20 4.64 -1.26 -0.50 113.55 121.37 3hx4 h SER 479 Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.43 3hx4 h SER 479 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3hx4 h SER 479 CO -0.00 0.14 -0.12 0.58 -0.87 0.00 0.00 176.83 176.56 3hx4 h VAL 480 N 0.00 0.76 -0.87 0.95 2.07 -1.21 -3.31 116.25 114.64 3hx4 h VAL 480 Ca -0.00 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 66.78 3hx4 h VAL 480 Cb 0.32 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.20 3hx4 h VAL 480 CO 0.02 0.15 0.55 -0.07 0.02 0.00 0.00 177.57 178.25 3hx4 h LEU 481 N -0.78 0.90 -1.75 2.57 3.38 -0.59 -0.51 115.31 118.53 3hx4 h LEU 481 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3hx4 h LEU 481 Cb 0.51 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3hx4 h LEU 481 CO 0.06 0.60 -0.17 0.77 0.09 0.00 0.00 178.44 179.79 3hx4 h SER 482 N 1.04 0.00 0.37 -0.43 4.64 -1.24 0.23 113.55 118.16 3hx4 h SER 482 Ca 0.36 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.37 3hx4 h SER 482 Cb 0.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.13 3hx4 h SER 482 CO -0.14 0.17 -1.83 -0.62 -0.87 0.00 0.00 176.83 173.53 3hx4 n GLU 483 N -3.99 0.66 -0.05 4.77 1.02 -1.00 -4.77 120.64 117.29 3hx4 n GLU 483 Ca -0.02 0.27 -0.06 0.00 -0.02 0.00 0.00 57.16 57.32 3hx4 n GLU 483 Cb 0.25 -1.75 -0.06 0.00 -0.02 0.00 0.00 31.44 29.86 3hx4 n GLU 483 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hx4 n VAL 484 N -3.12 0.63 -2.35 2.62 0.31 -0.23 -4.89 118.33 111.30 3hx4 n VAL 484 Ca -0.22 -0.30 -0.36 0.00 -0.01 0.00 0.00 64.34 63.45 3hx4 n VAL 484 Cb 1.06 -0.84 -0.03 0.00 -0.91 0.00 0.00 33.84 33.12 3hx4 n VAL 484 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hx4 s ASP 485 N -4.67 6.03 0.46 4.52 3.68 0.78 -4.80 116.67 122.67 3hx4 s ASP 485 Ca -0.11 -1.95 0.25 0.00 2.13 0.00 0.00 52.55 52.87 3hx4 s ASP 485 Cb 0.03 -2.58 1.00 0.00 -1.45 0.00 0.00 42.92 39.93 3hx4 s ASP 485 CO 0.31 -2.01 1.86 0.07 0.13 0.00 0.00 175.17 175.52 3hx4 h LYS 486 N 8.82 0.00 -0.26 4.34 5.09 -1.90 -3.10 116.57 129.55 3hx4 h LYS 486 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.06 3hx4 h LYS 486 Cb 0.92 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.25 3hx4 h LYS 486 CO 1.35 0.19 0.00 0.27 -2.09 0.00 0.00 179.45 179.18 3hx4 n ASN 487 N -3.37 2.83 -3.93 7.07 6.94 -1.26 -5.03 115.26 118.51 3hx4 n ASN 487 Ca 0.00 -2.13 -0.29 0.00 -0.02 0.00 0.00 54.58 52.14 3hx4 n ASN 487 Cb 0.40 -0.22 0.01 0.00 -2.36 0.00 0.00 39.78 37.61 3hx4 n ASN 487 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3hx4 n ASN 488 N 0.17 -3.32 -0.92 0.53 3.02 -1.17 -4.87 115.26 108.69 3hx4 n ASN 488 Ca 0.10 -0.85 0.10 0.00 -0.03 0.00 0.00 54.58 53.90 3hx4 n ASN 488 Cb 0.44 -3.63 0.16 0.00 -0.61 0.00 0.00 39.78 36.14 3hx4 n ASN 488 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3hx4 n ASP 489 N -2.87 3.05 -0.18 6.41 5.68 -1.26 -4.98 116.55 122.40 3hx4 n ASP 489 Ca -0.06 -1.89 -0.02 0.00 -0.50 0.00 0.00 54.79 52.32 3hx4 n ASP 489 Cb 0.57 -0.17 -0.01 0.00 -1.14 0.00 0.00 41.12 40.37 3hx4 n ASP 489 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hx4 n GLY 490 N 1.17 0.53 3.14 6.12 0.00 -1.26 -5.00 105.19 109.89 3hx4 n GLY 490 Ca 0.15 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.83 3hx4 n GLY 490 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hx4 s GLU 491 N -1.31 0.78 -0.36 1.61 2.02 -1.26 -4.67 118.70 115.51 3hx4 s GLU 491 Ca 0.00 -1.32 -0.06 0.00 0.02 0.00 0.00 54.97 53.61 3hx4 s GLU 491 Cb 0.00 0.04 0.06 0.00 0.10 0.00 0.00 34.13 34.33 3hx4 s GLU 491 CO 0.00 -0.11 0.14 0.08 0.02 0.00 0.00 175.26 175.40 3hx4 s VAL 492 N -3.82 3.75 0.83 2.63 1.01 0.12 -4.84 120.40 120.08 3hx4 s VAL 492 Ca 0.13 -1.32 -0.12 0.00 0.00 0.00 0.00 61.98 60.66 3hx4 s VAL 492 Cb 0.07 -3.21 0.11 0.00 0.00 0.00 0.00 36.38 33.34 3hx4 s VAL 492 CO -0.05 -0.30 1.19 1.51 0.00 0.00 0.00 175.10 177.44 3hx4 s ASP 493 N 1.60 4.19 0.44 3.32 1.47 -1.26 0.37 116.67 126.79 3hx4 s ASP 493 Ca 0.00 0.58 0.10 0.00 1.18 0.00 0.00 52.55 54.40 3hx4 s ASP 493 Cb -0.21 -0.97 0.96 0.00 -0.34 0.00 0.00 42.92 42.37 3hx4 s ASP 493 CO 0.01 -2.07 2.08 0.15 0.68 0.00 0.00 175.17 176.02 3hx4 h PHE 494 N -1.13 0.39 -0.09 2.11 -0.00 -1.99 -0.42 116.94 115.81 3hx4 h PHE 494 Ca -0.45 0.01 -0.02 0.00 -0.00 0.00 0.00 57.97 57.51 3hx4 h PHE 494 Cb 1.30 -0.13 -0.00 0.00 -0.00 0.00 0.00 35.95 37.12 3hx4 h PHE 494 CO -0.07 0.24 -0.01 0.22 -0.00 0.00 0.00 178.31 178.69 3hx4 h ASP 495 N 0.42 0.16 -0.30 0.41 -0.00 -1.93 -1.97 116.42 113.21 3hx4 h ASP 495 Ca 0.12 -0.34 -0.10 0.00 -0.00 0.00 0.00 57.03 56.72 3hx4 h ASP 495 Cb -0.02 -0.04 -0.02 0.00 -0.00 0.00 0.00 39.33 39.25 3hx4 h ASP 495 CO -0.03 0.46 -0.14 -0.33 -0.00 0.00 0.00 179.24 179.20 3hx4 h GLU 496 N -0.14 0.73 -0.13 0.28 5.08 -1.83 -2.43 114.58 116.14 3hx4 h GLU 496 Ca 0.02 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3hx4 h GLU 496 Cb 0.38 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3hx4 h GLU 496 CO 0.01 0.84 0.02 0.35 -1.00 0.00 0.00 179.01 179.23 3hx4 h PHE 497 N 0.66 0.04 -0.60 4.33 3.57 -1.02 0.41 116.94 124.33 3hx4 h PHE 497 Ca 0.11 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.65 3hx4 h PHE 497 Cb 0.61 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 3hx4 h PHE 497 CO 0.03 0.01 0.35 1.96 -2.23 0.00 0.00 178.31 178.44 3hx4 h GLN 498 N 0.08 0.67 -0.41 1.11 4.20 -1.26 -3.04 115.11 116.46 3hx4 h GLN 498 Ca 0.06 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 3hx4 h GLN 498 Cb 0.05 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 3hx4 h GLN 498 CO -0.08 0.44 -0.23 1.96 -0.67 0.00 0.00 178.83 180.25 3hx4 h GLN 499 N 0.69 0.83 -0.99 1.46 4.20 -1.11 0.16 115.11 120.35 3hx4 h GLN 499 Ca 0.25 -0.35 0.15 0.00 0.06 0.00 0.00 58.65 58.76 3hx4 h GLN 499 Cb 0.06 -0.03 -0.09 0.00 0.30 0.00 0.00 27.48 27.71 3hx4 h GLN 499 CO -0.12 0.98 0.61 1.98 -0.67 0.00 0.00 178.83 181.61 3hx4 h MET 500 N 0.72 0.86 0.04 1.46 4.05 -0.81 -1.23 114.93 120.02 3hx4 h MET 500 Ca 0.10 -0.05 -0.37 0.00 -0.28 0.00 0.00 59.70 59.09 3hx4 h MET 500 Cb 0.77 -0.19 -0.05 0.00 -0.80 0.00 0.00 31.60 31.32 3hx4 h MET 500 CO 0.06 0.57 -2.23 1.28 0.23 0.00 0.00 176.91 176.82 3hx4 n LEU 501 N -4.69 2.31 0.08 3.39 4.77 -1.05 -4.48 117.00 117.33 3hx4 n LEU 501 Ca 0.20 0.05 -0.08 0.00 -0.03 0.00 0.00 56.01 56.16 3hx4 n LEU 501 Cb 0.44 -0.72 -0.06 0.00 -2.33 0.00 0.00 43.42 40.75 3hx4 n LEU 501 CO 0.25 0.81 0.19 -0.07 -1.33 0.00 0.00 177.39 177.23 3hx4 h LEU 502 N 0.03 0.12 -1.75 2.23 3.38 -0.70 -3.50 115.31 115.11 3hx4 h LEU 502 Ca -0.49 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.36 3hx4 h LEU 502 Cb 2.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.71 3hx4 h LEU 502 CO 0.00 1.00 0.00 0.29 0.09 0.00 0.00 178.44 179.82