#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hj1 n HIS 0 N 0.00 -0.35 -0.12 1.61 -0.00 -1.26 -4.90 115.22 110.19 3hj1 n HIS 0 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.80 3hj1 n HIS 0 Cb 0.00 -2.73 0.19 0.00 -0.00 0.00 0.00 29.99 27.45 3hj1 n HIS 0 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 3hj1 n MET 1 N -2.45 2.60 -1.60 1.57 0.00 -1.26 -5.01 117.12 110.97 3hj1 n MET 1 Ca -0.15 -2.14 -0.48 0.00 0.00 0.00 0.00 57.70 54.92 3hj1 n MET 1 Cb 0.54 -1.36 -0.04 0.00 0.00 0.00 0.00 33.22 32.37 3hj1 n MET 1 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3hj1 n ASN 2 N 0.89 1.69 -0.57 7.83 2.85 -1.26 -4.90 115.26 121.78 3hj1 n ASN 2 Ca 0.15 1.14 0.02 0.00 -0.11 0.00 0.00 54.58 55.78 3hj1 n ASN 2 Cb 0.48 -1.26 0.03 0.00 1.24 0.00 0.00 39.78 40.27 3hj1 n ASN 2 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 3hj1 n VAL 3 N 1.76 0.36 -0.18 3.44 3.14 -1.26 -4.91 118.33 120.67 3hj1 n VAL 3 Ca 0.15 -0.58 -0.01 0.00 -2.96 0.00 0.00 64.34 60.94 3hj1 n VAL 3 Cb 0.25 0.43 0.08 0.00 -1.06 0.00 0.00 33.84 33.54 3hj1 n VAL 3 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hj1 h ALA 4 N 0.16 0.55 -0.24 1.55 0.00 -1.86 -1.76 119.26 117.65 3hj1 h ALA 4 Ca -0.03 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3hj1 h ALA 4 Cb 1.39 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 3hj1 h ALA 4 CO 0.01 -0.38 0.04 -0.22 0.00 0.00 0.00 179.25 178.71 3hj1 h LYS 5 N 0.13 0.40 -0.60 0.00 3.64 -1.88 -0.12 116.57 118.14 3hj1 h LYS 5 Ca 0.29 -0.11 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 3hj1 h LYS 5 Cb 0.44 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 3hj1 h LYS 5 CO -0.46 0.53 0.27 -0.09 -2.27 0.00 0.00 179.45 177.43 3hj1 h ARG 6 N 0.21 0.48 -0.20 1.90 2.43 -1.89 -1.21 114.38 116.11 3hj1 h ARG 6 Ca 0.07 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.05 3hj1 h ARG 6 Cb 0.32 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.75 3hj1 h ARG 6 CO 0.00 0.32 -0.56 0.93 -1.51 0.00 0.00 179.97 179.15 3hj1 h GLU 7 N 0.49 0.61 -0.26 0.20 4.39 -1.00 -1.81 114.58 117.21 3hj1 h GLU 7 Ca 0.29 -0.39 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 3hj1 h GLU 7 Cb 0.29 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3hj1 h GLU 7 CO -0.24 1.00 0.16 0.35 -1.16 0.00 0.00 179.01 179.12 3hj1 h PHE 8 N 0.47 0.34 -0.46 4.33 3.57 -0.81 0.20 116.94 124.57 3hj1 h PHE 8 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3hj1 h PHE 8 Cb 1.11 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 3hj1 h PHE 8 CO 0.05 0.25 0.30 0.82 -2.23 0.00 0.00 178.31 177.50 3hj1 h ILE 9 N 0.33 1.13 0.11 1.41 2.04 -1.17 0.39 117.51 121.74 3hj1 h ILE 9 Ca 0.09 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.72 3hj1 h ILE 9 Cb 0.01 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3hj1 h ILE 9 CO -0.02 0.12 -0.16 -0.09 0.00 0.00 0.00 178.15 178.00 3hj1 h ARG 10 N 0.63 -0.32 -0.87 2.37 2.43 -1.04 -1.58 114.38 115.99 3hj1 h ARG 10 Ca 0.17 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.42 3hj1 h ARG 10 Cb -0.06 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.50 3hj1 h ARG 10 CO -0.04 -0.21 0.55 0.78 -1.51 0.00 0.00 179.97 179.54 3hj1 h GLY 11 N -0.33 1.31 1.37 2.80 0.00 -0.40 -1.78 103.07 106.04 3hj1 h GLY 11 Ca 0.02 -0.40 -0.15 0.00 0.00 0.00 0.00 47.33 46.80 3hj1 h GLY 11 CO -0.08 0.29 -0.43 0.00 0.00 0.00 0.00 176.54 176.33 3hj1 h MET 12 N 1.02 0.69 -0.01 4.80 -0.00 -0.67 -0.44 114.93 120.31 3hj1 h MET 12 Ca 0.37 -0.37 -0.11 0.00 -0.00 0.00 0.00 59.70 59.59 3hj1 h MET 12 Cb 0.13 0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 31.73 3hj1 h MET 12 CO -0.16 0.98 -0.53 0.52 -0.00 0.00 0.00 176.91 177.72 3hj1 h MET 13 N 0.56 0.03 -0.25 -0.10 2.86 -1.14 -1.00 114.93 115.89 3hj1 h MET 13 Ca 0.04 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 3hj1 h MET 13 Cb 0.97 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 3hj1 h MET 13 CO 0.09 0.56 -0.27 0.00 1.06 0.00 0.00 176.91 178.35 3hj1 h ALA 14 N 1.44 0.37 -0.35 6.32 0.00 -1.02 -0.57 119.26 125.44 3hj1 h ALA 14 Ca -0.00 -0.39 0.06 0.00 0.00 0.00 0.00 54.91 54.57 3hj1 h ALA 14 Cb 0.95 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3hj1 h ALA 14 CO 0.07 0.37 0.05 1.25 0.00 0.00 0.00 179.25 180.98 3hj1 h HIS 15 N 0.34 0.07 0.03 0.00 2.76 -0.93 0.27 115.15 117.69 3hj1 h HIS 15 Ca 0.04 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.26 3hj1 h HIS 15 Cb 0.83 0.02 -0.05 0.00 1.55 0.00 0.00 27.41 29.76 3hj1 h HIS 15 CO 0.08 -0.01 -0.37 -0.92 -1.30 0.00 0.00 177.93 175.40 3hj1 h TYR 16 N 0.16 -1.04 -0.93 5.26 3.20 -1.09 -1.52 116.97 121.01 3hj1 h TYR 16 Ca 0.17 0.03 0.07 0.00 3.14 0.00 0.00 58.73 62.14 3hj1 h TYR 16 Cb 0.21 0.45 -0.07 0.00 1.54 0.00 0.00 36.73 38.87 3hj1 h TYR 16 CO -0.21 -0.46 0.59 0.00 -1.64 0.00 0.00 178.16 176.44 3hj1 h ARG 17 N -0.55 1.02 0.00 1.82 2.47 -0.60 -1.34 114.38 117.21 3hj1 h ARG 17 Ca 0.05 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.65 3hj1 h ARG 17 Cb 0.62 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.70 3hj1 h ARG 17 CO -0.28 0.68 -0.27 0.00 0.56 0.00 0.00 179.97 180.66 3hj1 h ALA 18 N 1.44 1.45 0.00 0.04 0.00 -0.28 -3.02 119.26 118.89 3hj1 h ALA 18 Ca 0.41 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3hj1 h ALA 18 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3hj1 h ALA 18 CO -0.18 0.34 -0.08 0.66 0.00 0.00 0.00 179.25 179.98 3hj1 h SER 19 N 0.00 0.00 -3.39 0.00 4.64 -0.19 -3.47 113.55 111.15 3hj1 h SER 19 Ca -0.00 -0.02 -0.52 0.00 -0.47 0.00 0.00 61.79 60.77 3hj1 h SER 19 Cb 0.51 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.64 3hj1 h SER 19 CO 0.03 0.01 0.69 -0.76 -0.87 0.00 0.00 176.83 175.93 3hj1 s LEU 20 N -4.92 4.41 0.42 5.97 1.43 -1.04 -4.13 118.68 120.82 3hj1 s LEU 20 Ca 0.09 2.50 -0.25 0.00 -1.03 0.00 0.00 54.13 55.44 3hj1 s LEU 20 Cb 0.11 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.61 3hj1 s LEU 20 CO 0.63 -0.59 1.25 -2.65 0.23 0.00 0.00 176.35 175.23 3hj1 n PRO 21 N 2.50 1.87 -0.73 1.29 -0.02 -1.26 -4.80 135.00 133.86 3hj1 n PRO 21 Ca 0.06 0.67 -0.28 0.00 -2.02 0.00 0.00 63.50 61.93 3hj1 n PRO 21 Cb 0.42 -2.36 0.23 0.00 -0.02 0.00 0.00 33.50 31.77 3hj1 n PRO 21 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hj1 s PRO 22 N -2.21 -0.47 0.27 0.52 0.04 -1.26 -4.88 135.00 127.02 3hj1 s PRO 22 Ca 0.61 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.44 3hj1 s PRO 22 Cb -0.51 -1.61 0.62 0.00 0.04 0.00 0.00 34.50 33.04 3hj1 s PRO 22 CO 0.58 -3.41 1.71 -1.35 0.04 0.00 0.00 177.00 174.57 3hj1 h PRO 23 N -2.39 0.40 -0.15 0.56 0.11 -2.06 -1.93 132.00 126.54 3hj1 h PRO 23 Ca -0.59 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.50 3hj1 h PRO 23 Cb 1.33 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3hj1 h PRO 23 CO 0.52 0.27 0.00 0.39 -0.21 0.00 0.00 178.00 178.96 3hj1 n GLU 24 N -5.04 1.43 0.02 1.05 1.02 -1.26 -4.29 120.64 113.57 3hj1 n GLU 24 Ca 0.19 -0.65 0.01 0.00 -0.02 0.00 0.00 57.16 56.69 3hj1 n GLU 24 Cb 0.56 -1.24 0.34 0.00 -0.02 0.00 0.00 31.44 31.07 3hj1 n GLU 24 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3hj1 h HIS 25 N 1.17 0.49 -0.35 -0.32 2.76 -1.68 -1.93 115.15 115.29 3hj1 h HIS 25 Ca 0.00 -0.04 -0.06 0.00 -2.20 0.00 0.00 60.37 58.07 3hj1 h HIS 25 Cb 0.26 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 3hj1 h HIS 25 CO 0.10 0.46 -0.04 0.66 -1.30 0.00 0.00 177.93 177.81 3hj1 h SER 26 N 0.47 0.53 -0.44 3.26 4.64 -1.82 -0.71 113.55 119.48 3hj1 h SER 26 Ca 0.11 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3hj1 h SER 26 Cb 0.25 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3hj1 h SER 26 CO 0.00 0.63 -0.06 0.58 -0.87 0.00 0.00 176.83 177.11 3hj1 h VAL 27 N 0.53 1.27 -0.03 0.95 2.07 -1.70 -1.37 116.25 117.97 3hj1 h VAL 27 Ca 0.11 -1.14 0.02 0.00 0.82 0.00 0.00 66.70 66.50 3hj1 h VAL 27 Cb 0.40 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3hj1 h VAL 27 CO 0.02 0.39 -0.06 0.58 0.02 0.00 0.00 177.57 178.51 3hj1 h VAL 28 N 0.65 0.83 -0.54 2.57 2.07 -0.83 -1.00 116.25 119.99 3hj1 h VAL 28 Ca 0.12 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.56 3hj1 h VAL 28 Cb 0.58 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3hj1 h VAL 28 CO 0.03 0.00 0.03 0.40 0.02 0.00 0.00 177.57 178.05 3hj1 h ILE 29 N -0.10 1.25 -0.64 4.57 1.08 -1.15 -0.70 117.51 121.82 3hj1 h ILE 29 Ca 0.04 -1.04 -0.01 0.00 -0.39 0.00 0.00 64.86 63.46 3hj1 h ILE 29 Cb 0.15 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 3hj1 h ILE 29 CO -0.09 0.37 0.37 -0.74 -0.69 0.00 0.00 178.15 177.37 3hj1 h HIS 30 N 0.85 0.86 -0.27 1.37 2.76 -1.01 -0.17 115.15 119.55 3hj1 h HIS 30 Ca 0.16 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.24 3hj1 h HIS 30 Cb 0.47 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 3hj1 h HIS 30 CO 0.03 0.61 -0.16 0.93 -1.30 0.00 0.00 177.93 178.04 3hj1 h GLU 31 N 0.87 0.46 -0.23 5.26 4.39 -0.81 -1.92 114.58 122.61 3hj1 h GLU 31 Ca 0.23 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.77 3hj1 h GLU 31 Cb 0.01 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3hj1 h GLU 31 CO -0.04 0.61 0.07 1.25 -1.16 0.00 0.00 179.01 179.74 3hj1 h LEU 32 N 0.42 0.33 -0.82 1.33 5.85 -0.49 -1.75 115.31 120.19 3hj1 h LEU 32 Ca 0.08 -0.20 0.13 0.00 0.84 0.00 0.00 57.88 58.72 3hj1 h LEU 32 Cb 0.53 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.38 3hj1 h LEU 32 CO 0.03 0.45 0.42 -0.61 -0.34 0.00 0.00 178.44 178.39 3hj1 h GLN 33 N 0.20 0.61 -0.51 1.25 -0.00 -0.77 -1.85 115.11 114.03 3hj1 h GLN 33 Ca 0.07 -0.04 -0.11 0.00 -0.00 0.00 0.00 58.65 58.57 3hj1 h GLN 33 Cb 0.24 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 27.56 3hj1 h GLN 33 CO -0.00 0.40 -0.13 0.87 0.00 0.00 0.00 178.83 179.97 3hj1 h LYS 34 N 0.63 0.97 -0.13 1.69 1.57 -1.13 -0.53 116.57 119.64 3hj1 h LYS 34 Ca 0.43 -0.36 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3hj1 h LYS 34 Cb 0.57 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3hj1 h LYS 34 CO -0.34 1.03 0.05 0.00 -0.57 0.00 0.00 179.45 179.63 3hj1 h ARG 35 N 0.86 0.12 -0.60 3.15 3.08 -0.91 0.17 114.38 120.24 3hj1 h ARG 35 Ca 0.13 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 3hj1 h ARG 35 Cb 0.68 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3hj1 h ARG 35 CO 0.05 0.08 0.00 0.28 -1.07 0.00 0.00 179.97 179.31 3hj1 h VAL 36 N 0.12 1.26 -0.92 2.04 2.07 -1.24 -2.00 116.25 117.60 3hj1 h VAL 36 Ca 0.05 -1.15 0.04 0.00 0.82 0.00 0.00 66.70 66.47 3hj1 h VAL 36 Cb 0.02 0.80 -0.06 0.00 -1.52 0.00 0.00 31.29 30.53 3hj1 h VAL 36 CO -0.04 0.42 0.59 0.25 0.02 0.00 0.00 177.57 178.80 3hj1 h LEU 37 N 0.96 0.97 -0.56 2.57 5.85 -0.91 0.13 115.31 124.32 3hj1 h LEU 37 Ca 0.17 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3hj1 h LEU 37 Cb 0.55 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3hj1 h LEU 37 CO 0.03 0.65 0.35 0.44 -0.34 0.00 0.00 178.44 179.57 3hj1 h ASP 38 N 1.12 0.58 -0.39 1.25 3.32 -0.40 0.12 116.42 122.02 3hj1 h ASP 38 Ca 0.38 -0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.40 3hj1 h ASP 38 Cb 0.06 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3hj1 h ASP 38 CO -0.14 0.41 0.15 0.40 -1.72 0.00 0.00 179.24 178.35 3hj1 h ILE 39 N 0.70 1.19 -0.93 0.35 2.04 -0.96 -3.07 117.51 116.83 3hj1 h ILE 39 Ca 0.22 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 65.56 3hj1 h ILE 39 Cb -0.02 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 3hj1 h ILE 39 CO -0.08 0.22 0.58 1.23 0.00 0.00 0.00 178.15 180.10 3hj1 h GLY 40 N 0.48 1.46 2.00 5.37 0.00 -0.18 -2.27 103.07 109.94 3hj1 h GLY 40 Ca 0.13 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3hj1 h GLY 40 CO -0.01 0.21 0.00 -0.33 0.00 0.00 0.00 176.54 176.41 3hj1 h MET 41 N 0.99 0.00 0.00 4.80 2.86 -0.69 -1.61 114.93 121.28 3hj1 h MET 41 Ca 0.44 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.88 3hj1 h MET 41 Cb 0.32 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 3hj1 h MET 41 CO -0.22 0.00 -0.96 -0.07 1.06 0.00 0.00 176.91 176.72 3hj1 h LEU 42 N 0.00 0.00 0.00 1.22 3.38 -1.39 -3.39 115.31 115.13 3hj1 h LEU 42 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3hj1 h LEU 42 Cb 0.49 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 3hj1 h LEU 42 CO 0.00 0.88 -2.13 0.00 0.09 0.00 0.00 178.44 177.28 3hj1 n ALA 43 N -2.34 1.72 -2.27 1.53 0.00 -0.66 -5.00 120.51 113.50 3hj1 n ALA 43 Ca -0.01 -1.06 -0.08 0.00 0.00 0.00 0.00 53.44 52.29 3hj1 n ALA 43 Cb 0.90 -0.44 -0.09 0.00 0.00 0.00 0.00 19.45 19.82 3hj1 n ALA 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hj1 s VAL 44 N -2.69 0.17 0.31 0.00 -7.23 -0.87 -4.77 120.40 105.32 3hj1 s VAL 44 Ca -0.08 -1.63 -0.19 0.00 -1.81 0.00 0.00 61.98 58.26 3hj1 s VAL 44 Cb 0.08 -1.59 -0.09 0.00 0.56 0.00 0.00 36.38 35.33 3hj1 s VAL 44 CO 0.84 -0.76 0.81 0.20 -0.31 0.00 0.00 175.10 175.88 3hj1 s ASN 45 N -2.93 6.99 -1.40 4.85 -0.87 -1.26 -4.15 114.94 116.16 3hj1 s ASN 45 Ca 0.10 1.50 -0.12 0.00 -1.57 0.00 0.00 52.86 52.77 3hj1 s ASN 45 Cb 0.07 -2.46 0.01 0.00 -0.02 0.00 0.00 41.25 38.86 3hj1 s ASN 45 CO -0.07 -0.14 0.33 0.29 -2.57 0.00 0.00 177.10 174.93 3hj1 n LYS 46 N 0.06 -1.09 -1.84 -0.60 5.02 -1.26 -1.35 118.16 117.10 3hj1 n LYS 46 Ca 0.02 0.15 -0.41 0.00 -2.02 0.00 0.00 58.31 56.06 3hj1 n LYS 46 Cb 0.52 -3.42 -0.01 0.00 -0.02 0.00 0.00 35.03 32.11 3hj1 n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hj1 s ALA 47 N -4.00 3.59 -0.03 7.82 0.00 -1.26 -3.74 121.76 124.14 3hj1 s ALA 47 Ca 0.19 1.53 -0.01 0.00 0.00 0.00 0.00 51.96 53.67 3hj1 s ALA 47 Cb -0.10 -3.60 0.03 0.00 0.00 0.00 0.00 23.12 19.46 3hj1 s ALA 47 CO 0.97 -1.00 0.05 -1.58 0.00 0.00 0.00 175.76 174.21 3hj1 s HIS 48 N -0.98 0.00 -0.16 0.00 5.04 -0.55 -4.93 115.29 113.72 3hj1 s HIS 48 Ca 0.54 0.21 0.02 0.00 -1.54 0.00 0.00 55.06 54.29 3hj1 s HIS 48 Cb -0.46 -0.26 0.01 0.00 0.04 0.00 0.00 32.58 31.92 3hj1 s HIS 48 CO 0.60 -0.12 -0.21 0.08 -2.34 0.00 0.00 174.74 172.75 3hj1 s VAL 49 N 1.29 2.08 -0.10 0.89 1.01 -1.26 -0.91 120.40 123.40 3hj1 s VAL 49 Ca -0.07 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.00 3hj1 s VAL 49 Cb -0.13 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.41 3hj1 s VAL 49 CO -0.03 0.54 -0.23 -1.61 0.00 0.00 0.00 175.10 173.77 3hj1 s GLU 50 N 1.01 2.95 0.47 2.72 0.41 -0.45 -4.98 118.70 120.83 3hj1 s GLU 50 Ca -0.02 -0.86 -0.20 0.00 -0.41 0.00 0.00 54.97 53.48 3hj1 s GLU 50 Cb -0.14 -2.25 -0.10 0.00 -1.78 0.00 0.00 34.13 29.86 3hj1 s GLU 50 CO -0.06 0.19 0.98 -0.51 -0.49 0.00 0.00 175.26 175.36 3hj1 s LEU 51 N 0.32 3.84 0.00 1.80 1.02 -1.26 0.04 118.68 124.44 3hj1 s LEU 51 Ca -0.18 1.72 -0.01 0.00 0.02 0.00 0.00 54.13 55.68 3hj1 s LEU 51 Cb -0.18 -4.54 0.00 0.00 0.02 0.00 0.00 46.19 41.50 3hj1 s LEU 51 CO 0.08 -0.52 0.18 2.22 0.02 0.00 0.00 176.35 178.33 3hj1 n PHE 52 N -0.96 -0.82 -4.05 0.29 -1.74 0.79 -4.83 117.46 106.13 3hj1 n PHE 52 Ca 0.07 -0.81 0.00 0.00 -0.56 0.00 0.00 57.45 56.15 3hj1 n PHE 52 Cb 0.54 0.20 0.00 0.00 1.52 0.00 0.00 39.48 41.74 3hj1 n PHE 52 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3hj1 n GLY 53 N -0.20 -1.77 0.29 4.97 0.00 -1.26 -3.29 105.19 103.93 3hj1 n GLY 53 Ca 0.00 -1.36 0.15 0.00 0.00 0.00 0.00 46.02 44.81 3hj1 n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hj1 h SER 54 N 0.00 0.00 1.08 1.61 4.64 -1.87 -0.59 113.55 118.42 3hj1 h SER 54 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hj1 h SER 54 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hj1 h SER 54 CO 0.00 0.00 -0.00 0.45 -0.87 0.00 0.00 176.83 176.41 3hj1 h HIS 55 N 0.00 0.00 0.04 4.77 3.86 -1.83 0.28 115.15 122.26 3hj1 h HIS 55 Ca 0.00 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 58.89 3hj1 h HIS 55 Cb 0.00 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 3hj1 h HIS 55 CO 0.00 0.00 -1.76 0.28 0.86 0.00 0.00 177.93 177.31 3hj1 n VAL 56 N -3.10 1.61 0.08 2.45 0.31 -0.30 -4.25 118.33 115.14 3hj1 n VAL 56 Ca 0.01 -0.31 0.04 0.00 -0.01 0.00 0.00 64.34 64.06 3hj1 n VAL 56 Cb 0.32 -1.88 0.43 0.00 -0.91 0.00 0.00 33.84 31.80 3hj1 n VAL 56 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3hj1 h SER 57 N -0.60 0.32 0.00 4.52 4.64 -1.35 -3.42 113.55 117.66 3hj1 h SER 57 Ca -0.44 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3hj1 h SER 57 Cb 1.62 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 3hj1 h SER 57 CO -0.14 0.33 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 3hj1 n GLY 58 N -1.21 1.03 2.44 -0.77 0.00 0.96 -3.98 105.19 103.66 3hj1 n GLY 58 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 3hj1 n GLY 58 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hj1 n PHE 59 N -2.00 2.64 -4.21 1.61 3.72 -1.11 -4.90 117.46 113.20 3hj1 n PHE 59 Ca 0.00 -2.99 -0.12 0.00 -0.05 0.00 0.00 57.45 54.28 3hj1 n PHE 59 Cb 0.00 -2.30 -0.10 0.00 -0.94 0.00 0.00 39.48 36.14 3hj1 n PHE 59 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hj1 s THR 61 N -3.98 2.26 0.04 0.00 -4.23 -1.26 -4.42 115.64 104.04 3hj1 s THR 61 Ca 0.32 -1.64 0.32 0.00 -1.18 0.00 0.00 61.69 59.52 3hj1 s THR 61 Cb 0.07 -2.89 0.34 0.00 1.34 0.00 0.00 72.50 71.36 3hj1 s THR 61 CO 0.08 0.00 1.96 -0.65 -0.54 0.00 0.00 174.62 175.47 3hj1 h PRO 62 N 1.30 0.00 -0.00 3.99 0.11 -1.87 -2.59 132.00 132.94 3hj1 h PRO 62 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3hj1 h PRO 62 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3hj1 h PRO 62 CO 0.67 0.00 -0.51 0.72 -0.21 0.00 0.00 178.00 178.67 3hj1 n HIS 63 N -2.75 0.00 -1.67 0.65 8.25 -1.26 -4.97 115.22 113.46 3hj1 n HIS 63 Ca -0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3hj1 n HIS 63 Cb 0.19 -0.24 -0.00 0.00 1.12 0.00 0.00 29.99 31.07 3hj1 n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hj1 n SER 64 N -1.47 2.34 -4.64 0.41 7.64 -0.98 -4.74 113.62 112.19 3hj1 n SER 64 Ca 0.06 1.16 -0.29 0.00 1.01 0.00 0.00 58.87 60.81 3hj1 n SER 64 Cb 0.34 -1.45 0.19 0.00 -1.01 0.00 0.00 64.21 62.27 3hj1 n SER 64 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 3hj1 s ASP 65 N -0.44 2.42 -0.12 6.43 1.47 -1.26 -4.70 116.67 120.47 3hj1 s ASP 65 Ca 0.58 1.41 0.02 0.00 1.18 0.00 0.00 52.55 55.74 3hj1 s ASP 65 Cb -0.57 -2.10 -0.01 0.00 -0.34 0.00 0.00 42.92 39.90 3hj1 s ASP 65 CO 0.60 -3.29 -0.19 0.00 0.68 0.00 0.00 175.17 172.98 3hj1 s ALA 66 N -2.81 2.37 -0.20 2.11 0.00 0.16 -4.68 121.76 118.72 3hj1 s ALA 66 Ca 0.66 -0.94 -0.10 0.00 0.00 0.00 0.00 51.96 51.58 3hj1 s ALA 66 Cb -0.20 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.87 3hj1 s ALA 66 CO 0.59 0.25 0.13 -0.51 0.00 0.00 0.00 175.76 176.22 3hj1 s ASP 67 N 0.38 6.13 -0.03 0.00 1.01 -1.21 -0.75 116.67 122.20 3hj1 s ASP 67 Ca -0.15 0.20 0.03 0.00 0.71 0.00 0.00 52.55 53.34 3hj1 s ASP 67 Cb -0.17 -2.08 0.00 0.00 1.01 0.00 0.00 42.92 41.68 3hj1 s ASP 67 CO 0.07 0.16 -0.11 -0.63 0.21 0.00 0.00 175.17 174.88 3hj1 s ILE 68 N 0.46 0.91 -0.23 0.77 1.01 0.70 -0.15 121.20 124.67 3hj1 s ILE 68 Ca 0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 3hj1 s ILE 68 Cb -0.12 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.54 3hj1 s ILE 68 CO -0.01 0.28 -0.02 -0.55 0.00 0.00 0.00 174.94 174.64 3hj1 s SER 69 N 0.16 4.45 -0.24 3.58 0.15 0.11 -1.71 113.70 120.20 3hj1 s SER 69 Ca -0.03 -0.36 -0.09 0.00 0.70 0.00 0.00 55.95 56.17 3hj1 s SER 69 Cb -0.09 -1.77 -0.04 0.00 -1.71 0.00 0.00 66.02 62.40 3hj1 s SER 69 CO 0.01 -0.02 0.12 -0.22 1.20 0.00 0.00 173.24 174.32 3hj1 s LEU 70 N 1.50 3.83 0.46 3.45 2.96 0.11 -1.34 118.68 129.65 3hj1 s LEU 70 Ca 0.06 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 54.00 3hj1 s LEU 70 Cb -0.14 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.48 3hj1 s LEU 70 CO -0.02 0.04 0.01 0.42 -1.32 0.00 0.00 176.35 175.48 3hj1 s THR 71 N 1.20 1.59 0.33 3.68 -4.23 -0.09 -0.92 115.64 117.19 3hj1 s THR 71 Ca 0.06 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.45 3hj1 s THR 71 Cb -0.14 -2.59 0.02 0.00 1.34 0.00 0.00 72.50 71.13 3hj1 s THR 71 CO 0.05 0.00 0.61 -0.72 -0.54 0.00 0.00 174.62 174.02 3hj1 s TYR 72 N -2.79 0.42 0.01 3.99 1.13 -1.26 -1.48 117.35 117.36 3hj1 s TYR 72 Ca 0.21 -0.86 -0.35 0.00 -1.41 0.00 0.00 57.07 54.66 3hj1 s TYR 72 Cb 0.06 0.39 -0.13 0.00 -1.10 0.00 0.00 41.96 41.18 3hj1 s TYR 72 CO 0.11 -1.26 1.72 -2.13 -2.51 0.00 0.00 175.55 171.48 3hj1 n ARG 73 N -0.50 2.04 -2.00 -3.49 0.63 -0.46 -1.40 116.66 111.49 3hj1 n ARG 73 Ca -0.03 0.74 -0.20 0.00 -0.92 0.00 0.00 57.85 57.44 3hj1 n ARG 73 Cb 0.61 -2.54 -0.05 0.00 0.45 0.00 0.00 32.46 30.93 3hj1 n ARG 73 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3hj1 n ASN 74 N 5.04 -5.63 -4.75 6.15 5.03 -1.26 -4.99 115.26 114.86 3hj1 n ASN 74 Ca 0.20 0.23 -0.41 0.00 0.87 0.00 0.00 54.58 55.48 3hj1 n ASN 74 Cb 0.28 -4.78 0.01 0.00 -1.02 0.00 0.00 39.78 34.27 3hj1 n ASN 74 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 3hj1 n PHE 75 N -3.24 2.61 -4.15 3.10 7.35 -0.50 -5.03 117.46 117.61 3hj1 n PHE 75 Ca -0.22 0.46 -0.20 0.00 -0.76 0.00 0.00 57.45 56.73 3hj1 n PHE 75 Cb 0.68 -2.45 -0.16 0.00 0.35 0.00 0.00 39.48 37.89 3hj1 n PHE 75 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3hj1 s SER 76 N -0.40 0.87 0.61 -2.13 0.15 -1.26 -4.99 113.70 106.55 3hj1 s SER 76 Ca 0.59 -0.12 0.36 0.00 0.70 0.00 0.00 55.95 57.48 3hj1 s SER 76 Cb -0.48 -0.42 1.98 0.00 -1.71 0.00 0.00 66.02 65.39 3hj1 s SER 76 CO 0.59 -0.05 2.25 1.55 1.20 0.00 0.00 173.24 178.78 3hj1 h PRO 77 N 7.16 0.00 0.00 5.44 0.13 -1.95 -2.67 132.00 140.10 3hj1 h PRO 77 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 3hj1 h PRO 77 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3hj1 h PRO 77 CO 0.48 0.02 -0.24 0.91 -0.23 0.00 0.00 178.00 178.94 3hj1 n TRP 78 N -3.42 0.46 0.47 1.56 7.02 -1.26 -3.82 117.44 118.44 3hj1 n TRP 78 Ca -0.02 0.13 0.12 0.00 -1.02 0.00 0.00 57.50 56.71 3hj1 n TRP 78 Cb 0.12 -0.65 0.14 0.00 -2.42 0.00 0.00 31.31 28.51 3hj1 n TRP 78 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 3hj1 h LEU 79 N 0.00 0.00 -9.37 -0.99 3.38 -1.84 -3.45 115.31 103.04 3hj1 h LEU 79 Ca 0.00 -0.17 -0.54 0.00 0.09 0.00 0.00 57.88 57.26 3hj1 h LEU 79 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3hj1 h LEU 79 CO 0.00 0.08 0.92 -1.10 0.09 0.00 0.00 178.44 178.43 3hj1 s GLN 80 N -3.20 4.24 0.00 1.13 1.11 -1.25 -1.03 119.66 120.66 3hj1 s GLN 80 Ca 0.05 2.08 0.00 0.00 0.01 0.00 0.00 55.36 57.51 3hj1 s GLN 80 Cb 0.12 -3.65 0.00 0.00 -1.01 0.00 0.00 33.01 28.48 3hj1 s GLN 80 CO 0.73 -0.66 0.00 0.41 0.01 0.00 0.00 175.29 175.78 3hj1 n GLY 81 N 3.81 0.94 3.66 3.09 0.00 -1.26 -5.07 105.19 110.35 3hj1 n GLY 81 Ca 0.14 -0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3hj1 n GLY 81 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hj1 s MET 82 N 0.00 4.23 0.16 1.61 0.00 -0.19 -4.83 119.30 120.28 3hj1 s MET 82 Ca 0.00 1.67 -0.24 0.00 0.00 0.00 0.00 55.69 57.12 3hj1 s MET 82 Cb 0.00 -3.77 0.04 0.00 0.00 0.00 0.00 34.83 31.11 3hj1 s MET 82 CO 0.00 -0.71 1.59 1.49 0.00 0.00 0.00 175.02 177.40 3hj1 h GLU 83 N 8.21 -0.27 -0.98 4.11 4.81 -1.95 0.19 114.58 128.71 3hj1 h GLU 83 Ca -0.27 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.05 3hj1 h GLU 83 Cb 1.10 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.48 3hj1 h GLU 83 CO 0.97 -0.18 0.63 0.00 -0.73 0.00 0.00 179.01 179.70 3hj1 h ARG 84 N -0.28 1.09 -0.08 1.92 2.47 -1.94 0.12 114.38 117.67 3hj1 h ARG 84 Ca 0.16 -0.07 -0.20 0.00 -1.26 0.00 0.00 59.98 58.62 3hj1 h ARG 84 Cb 0.55 -0.25 0.01 0.00 -1.65 0.00 0.00 29.97 28.64 3hj1 h ARG 84 CO -0.54 0.72 -0.71 0.28 0.56 0.00 0.00 179.97 180.28 3hj1 h VAL 85 N 1.12 1.33 -0.86 2.04 2.07 -1.52 -1.92 116.25 118.52 3hj1 h VAL 85 Ca 0.42 -1.99 0.13 0.00 0.82 0.00 0.00 66.70 66.08 3hj1 h VAL 85 Cb 0.19 2.22 -0.09 0.00 -1.52 0.00 0.00 31.29 32.10 3hj1 h VAL 85 CO -0.17 0.61 0.47 0.44 0.02 0.00 0.00 177.57 178.94 3hj1 h ASP 86 N 0.28 0.63 -0.70 0.57 3.32 -0.20 0.24 116.42 120.56 3hj1 h ASP 86 Ca -0.06 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3hj1 h ASP 86 Cb 1.36 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.84 3hj1 h ASP 86 CO 0.14 0.31 0.45 -0.33 -1.72 0.00 0.00 179.24 178.10 3hj1 h GLU 87 N 0.72 0.92 -0.53 3.56 5.08 -0.54 -0.63 114.58 123.16 3hj1 h GLU 87 Ca 0.44 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.64 3hj1 h GLU 87 Cb 0.54 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3hj1 h GLU 87 CO -0.31 0.62 -0.08 0.37 -1.00 0.00 0.00 179.01 178.61 3hj1 h GLN 88 N 0.94 0.98 -0.13 2.33 5.75 -0.43 -2.22 115.11 122.34 3hj1 h GLN 88 Ca 0.25 -0.34 -0.07 0.00 -0.15 0.00 0.00 58.65 58.34 3hj1 h GLN 88 Cb -0.09 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 3hj1 h GLN 88 CO -0.05 1.02 -0.25 -0.91 -2.65 0.00 0.00 178.83 175.99 3hj1 h ASN 89 N 0.88 0.23 -0.22 -0.69 2.35 -0.12 -0.69 115.58 117.33 3hj1 h ASN 89 Ca 0.14 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 55.74 3hj1 h ASN 89 Cb 0.63 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 3hj1 h ASN 89 CO 0.04 0.49 -0.13 0.78 -1.65 0.00 0.00 177.43 176.96 3hj1 h ASN 90 N 0.22 0.60 -0.63 5.81 2.35 -0.78 -1.32 115.58 121.82 3hj1 h ASN 90 Ca 0.04 -0.17 -0.08 0.00 -0.55 0.00 0.00 56.30 55.53 3hj1 h ASN 90 Cb 0.56 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.74 3hj1 h ASN 90 CO 0.04 0.76 0.07 0.11 -1.65 0.00 0.00 177.43 176.76 3hj1 h LYS 91 N 0.56 1.08 -0.50 0.81 1.57 -0.56 0.03 116.57 119.56 3hj1 h LYS 91 Ca 0.10 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.55 3hj1 h LYS 91 Cb 0.55 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3hj1 h LYS 91 CO 0.03 1.01 0.21 0.00 -0.57 0.00 0.00 179.45 180.13 3hj1 h ARG 92 N 1.00 0.75 0.00 3.15 3.08 -1.11 -2.46 114.38 118.79 3hj1 h ARG 92 Ca 0.19 -0.13 -0.14 0.00 0.07 0.00 0.00 59.98 59.97 3hj1 h ARG 92 Cb 0.47 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 3hj1 h ARG 92 CO 0.02 0.65 -0.68 0.52 -1.07 0.00 0.00 179.97 179.41 3hj1 h MET 93 N 0.67 0.00 -0.07 0.04 2.86 -0.96 0.13 114.93 117.59 3hj1 h MET 93 Ca 0.17 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 3hj1 h MET 93 Cb 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 3hj1 h MET 93 CO -0.02 0.68 0.03 1.15 1.06 0.00 0.00 176.91 179.81 3hj1 h THR 94 N 0.00 1.15 -0.44 2.22 2.02 -0.90 -0.74 112.91 116.23 3hj1 h THR 94 Ca -0.01 -0.46 -0.08 0.00 0.77 0.00 0.00 66.41 66.63 3hj1 h THR 94 Cb 1.22 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 3hj1 h THR 94 CO 0.09 0.13 -0.05 -0.09 0.37 0.00 0.00 175.52 175.97 3hj1 h ARG 95 N -0.06 0.81 -0.64 6.66 2.43 -1.32 -2.63 114.38 119.64 3hj1 h ARG 95 Ca 0.02 -0.29 0.13 0.00 -0.81 0.00 0.00 59.98 59.04 3hj1 h ARG 95 Cb 0.19 -0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 29.58 3hj1 h ARG 95 CO -0.00 0.90 0.12 0.35 -1.51 0.00 0.00 179.97 179.83 3hj1 h PHE 96 N 0.65 0.17 -0.67 2.20 3.57 -0.90 -0.11 116.94 121.85 3hj1 h PHE 96 Ca 0.12 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3hj1 h PHE 96 Cb 0.57 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 3hj1 h PHE 96 CO 0.04 -0.07 0.40 0.78 -2.23 0.00 0.00 178.31 177.24 3hj1 h GLY 97 N 0.23 0.98 0.91 2.40 0.00 -0.92 0.80 103.07 107.47 3hj1 h GLY 97 Ca 0.34 -0.41 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 3hj1 h GLY 97 CO -0.45 0.40 0.07 0.50 0.00 0.00 0.00 176.54 177.06 3hj1 h LYS 98 N 0.92 0.55 -0.32 4.80 1.57 -1.08 -2.13 116.57 120.88 3hj1 h LYS 98 Ca 0.24 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3hj1 h LYS 98 Cb -0.02 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3hj1 h LYS 98 CO -0.04 0.62 -0.05 0.93 -0.57 0.00 0.00 179.45 180.33 3hj1 h GLU 99 N 0.40 0.51 -0.56 3.15 4.39 -0.83 -1.60 114.58 120.04 3hj1 h GLU 99 Ca 0.11 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 3hj1 h GLU 99 Cb 0.32 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 3hj1 h GLU 99 CO 0.00 0.57 -0.05 0.00 -1.16 0.00 0.00 179.01 178.38 3hj1 h ALA 100 N 1.47 0.85 -0.51 3.43 0.00 -0.65 -0.84 119.26 123.01 3hj1 h ALA 100 Ca 0.10 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3hj1 h ALA 100 Cb 0.39 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3hj1 h ALA 100 CO 0.02 0.66 0.15 0.77 0.00 0.00 0.00 179.25 180.85 3hj1 h SER 101 N 0.91 0.75 -0.63 0.00 0.02 -1.16 -1.10 113.55 112.34 3hj1 h SER 101 Ca 0.15 -0.21 0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3hj1 h SER 101 Cb 0.60 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 3hj1 h SER 101 CO 0.04 0.76 0.41 0.00 -1.14 0.00 0.00 176.83 176.90 3hj1 h ALA 102 N 1.02 0.81 0.00 3.77 0.00 -1.03 -2.46 119.26 121.36 3hj1 h ALA 102 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hj1 h ALA 102 Cb 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3hj1 h ALA 102 CO -0.00 0.20 0.00 -1.33 0.00 0.00 0.00 179.25 178.12 3hj1 n MET 103 N -4.67 0.05 0.00 0.00 2.81 -0.34 -4.88 117.12 110.10 3hj1 n MET 103 Ca 0.05 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 3hj1 n MET 103 Cb 0.04 -1.58 0.00 0.00 -0.71 0.00 0.00 33.22 30.97 3hj1 n MET 103 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hj1 n GLY 104 N 0.68 1.67 3.78 3.03 0.00 -0.93 -5.04 105.19 108.38 3hj1 n GLY 104 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3hj1 n GLY 104 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hj1 s MET 105 N -0.29 4.40 0.17 1.61 -1.94 -0.45 -3.91 119.30 118.90 3hj1 s MET 105 Ca 0.00 1.46 0.04 0.00 -1.71 0.00 0.00 55.69 55.48 3hj1 s MET 105 Cb 0.00 -2.72 -0.03 0.00 2.01 0.00 0.00 34.83 34.08 3hj1 s MET 105 CO 0.00 0.08 0.26 -1.21 -0.01 0.00 0.00 175.02 174.14 3hj1 s GLU 106 N -2.19 3.29 -1.49 2.03 0.41 -0.22 -4.51 118.70 116.01 3hj1 s GLU 106 Ca 0.53 -0.72 -0.09 0.00 -0.41 0.00 0.00 54.97 54.28 3hj1 s GLU 106 Cb -0.22 -2.86 0.06 0.00 -1.78 0.00 0.00 34.13 29.34 3hj1 s GLU 106 CO 0.27 0.49 0.76 -0.25 -0.49 0.00 0.00 175.26 176.04 3hj1 n ASP 107 N -0.70 -2.74 -4.69 -0.19 8.00 -1.26 -0.34 116.55 114.63 3hj1 n ASP 107 Ca -0.08 -0.89 -0.42 0.00 0.71 0.00 0.00 54.79 54.12 3hj1 n ASP 107 Cb 0.55 -3.51 -0.03 0.00 -0.02 0.00 0.00 41.12 38.11 3hj1 n ASP 107 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3hj1 s VAL 108 N -3.52 3.82 -0.21 2.53 1.01 -1.26 -4.31 120.40 118.45 3hj1 s VAL 108 Ca 0.40 1.22 -0.00 0.00 0.00 0.00 0.00 61.98 63.59 3hj1 s VAL 108 Cb -0.20 -3.78 0.06 0.00 0.00 0.00 0.00 36.38 32.45 3hj1 s VAL 108 CO 0.86 0.02 -0.03 -0.13 0.00 0.00 0.00 175.10 175.82 3hj1 s ARG 109 N 2.09 1.33 -0.18 2.72 1.81 0.47 -5.00 118.95 122.19 3hj1 s ARG 109 Ca 0.62 -0.77 -0.21 0.00 -1.72 0.00 0.00 55.73 53.65 3hj1 s ARG 109 Cb -0.30 -2.38 -0.03 0.00 -0.45 0.00 0.00 34.95 31.79 3hj1 s ARG 109 CO 0.26 -0.59 0.61 -0.47 -0.68 0.00 0.00 175.30 174.44 3hj1 s TYR 110 N 1.56 3.40 -0.45 -0.53 5.04 -1.26 -0.91 117.35 124.19 3hj1 s TYR 110 Ca -0.04 0.93 -0.09 0.00 -2.44 0.00 0.00 57.07 55.44 3hj1 s TYR 110 Cb -0.18 -2.77 0.10 0.00 0.35 0.00 0.00 41.96 39.46 3hj1 s TYR 110 CO -0.07 -0.13 0.31 0.42 -1.34 0.00 0.00 175.55 174.75 3hj1 s ILE 111 N 1.72 4.22 -0.06 3.14 1.01 0.18 -5.02 121.20 126.40 3hj1 s ILE 111 Ca 0.29 -1.65 -0.30 0.00 0.00 0.00 0.00 60.65 58.99 3hj1 s ILE 111 Cb -0.16 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 3hj1 s ILE 111 CO 0.11 -0.68 1.56 -0.60 0.00 0.00 0.00 174.94 175.33 3hj1 s ARG 112 N 1.38 4.20 0.11 2.79 6.06 -1.26 -3.00 118.95 129.24 3hj1 s ARG 112 Ca 0.05 2.09 -0.26 0.00 -2.50 0.00 0.00 55.73 55.10 3hj1 s ARG 112 Cb -0.25 -3.88 0.08 0.00 0.06 0.00 0.00 34.95 30.96 3hj1 s ARG 112 CO 0.00 -0.78 1.06 0.00 -2.50 0.00 0.00 175.30 173.08 3hj1 s ALA 113 N 3.66 -1.81 0.34 6.12 0.00 -1.26 -5.01 121.76 123.79 3hj1 s ALA 113 Ca 0.69 0.25 0.05 0.00 0.00 0.00 0.00 51.96 52.95 3hj1 s ALA 113 Cb -0.32 0.57 0.68 0.00 0.00 0.00 0.00 23.12 24.05 3hj1 s ALA 113 CO 0.27 -1.05 1.92 0.00 0.00 0.00 0.00 175.76 176.90 3hj1 h ARG 114 N 2.00 0.82 -4.00 0.00 2.47 -1.93 -3.02 114.38 110.73 3hj1 h ARG 114 Ca -0.26 -0.05 -0.76 0.00 -1.26 0.00 0.00 59.98 57.65 3hj1 h ARG 114 Cb 1.22 -0.19 -0.26 0.00 -1.65 0.00 0.00 29.97 29.09 3hj1 h ARG 114 CO 0.27 0.54 -0.15 0.42 0.56 0.00 0.00 179.97 181.61 3hj1 s ILE 115 N -5.77 5.07 0.30 2.04 -1.09 -1.26 -4.78 121.20 115.72 3hj1 s ILE 115 Ca -0.10 -2.00 -0.22 0.00 -2.23 0.00 0.00 60.65 56.10 3hj1 s ILE 115 Cb 0.20 -4.22 -0.09 0.00 -1.58 0.00 0.00 42.46 36.77 3hj1 s ILE 115 CO 0.79 -0.91 0.84 -2.16 -1.23 0.00 0.00 174.94 172.27 3hj1 s PRO 116 N 0.94 4.35 0.08 2.79 0.04 -1.14 -4.98 135.00 137.08 3hj1 s PRO 116 Ca 0.10 1.06 0.04 0.00 0.04 0.00 0.00 61.00 62.24 3hj1 s PRO 116 Cb -0.22 -2.69 -0.03 0.00 0.04 0.00 0.00 34.50 31.60 3hj1 s PRO 116 CO -0.02 0.26 -0.12 0.14 0.04 0.00 0.00 177.00 177.30 3hj1 s VAL 117 N -1.71 1.01 -0.13 -0.36 -7.23 -1.16 -4.33 120.40 106.48 3hj1 s VAL 117 Ca 0.50 -1.46 0.03 0.00 -1.81 0.00 0.00 61.98 59.24 3hj1 s VAL 117 Cb -0.16 -1.18 0.01 0.00 0.56 0.00 0.00 36.38 35.61 3hj1 s VAL 117 CO 0.20 -0.39 -0.22 -0.69 -0.31 0.00 0.00 175.10 173.69 3hj1 s VAL 118 N -1.83 2.04 0.06 1.32 1.01 -0.39 -0.64 120.40 121.96 3hj1 s VAL 118 Ca 0.01 -0.98 0.05 0.00 0.00 0.00 0.00 61.98 61.06 3hj1 s VAL 118 Cb -0.07 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3hj1 s VAL 118 CO 0.01 0.55 -0.05 -1.10 0.00 0.00 0.00 175.10 174.51 3hj1 s GLN 119 N 0.73 2.45 0.09 2.72 -0.21 -0.08 -0.89 119.66 124.46 3hj1 s GLN 119 Ca -0.09 -0.83 -0.26 0.00 0.02 0.00 0.00 55.36 54.20 3hj1 s GLN 119 Cb -0.16 -2.47 0.08 0.00 1.00 0.00 0.00 33.01 31.46 3hj1 s GLN 119 CO 0.00 0.56 0.85 -0.59 -2.12 0.00 0.00 175.29 173.99 3hj1 s PHE 120 N -1.15 -0.31 -0.27 0.91 -0.71 -0.90 -0.40 117.98 115.15 3hj1 s PHE 120 Ca 0.21 0.09 -0.11 0.00 -1.04 0.00 0.00 56.93 56.08 3hj1 s PHE 120 Cb -0.11 0.58 -0.05 0.00 -1.21 0.00 0.00 43.02 42.23 3hj1 s PHE 120 CO 0.12 -0.73 0.17 0.99 -1.34 0.00 0.00 175.22 174.44 3hj1 s THR 121 N -3.33 5.21 0.17 -4.49 2.01 0.54 -0.29 115.64 115.46 3hj1 s THR 121 Ca 0.07 0.13 -0.33 0.00 0.31 0.00 0.00 61.69 61.87 3hj1 s THR 121 Cb -0.01 -3.47 -0.13 0.00 0.01 0.00 0.00 72.50 68.89 3hj1 s THR 121 CO -0.05 0.27 1.62 -0.67 -0.69 0.00 0.00 174.62 175.10 3hj1 n ASP 122 N 4.98 3.35 0.00 3.53 2.03 -0.14 -1.05 116.55 129.25 3hj1 n ASP 122 Ca -0.14 1.08 0.13 0.00 0.52 0.00 0.00 54.79 56.37 3hj1 n ASP 122 Cb 0.52 -1.47 0.70 0.00 -0.72 0.00 0.00 41.12 40.16 3hj1 n ASP 122 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hj1 n GLY 123 N 3.58 -0.93 0.17 0.27 0.00 -1.25 -1.12 105.19 105.91 3hj1 n GLY 123 Ca 0.17 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 3hj1 n GLY 123 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hj1 n VAL 124 N -1.12 1.46 0.43 1.61 0.31 -1.26 -4.80 118.33 114.95 3hj1 n VAL 124 Ca 0.16 -0.02 0.11 0.00 -0.01 0.00 0.00 64.34 64.58 3hj1 n VAL 124 Cb 0.13 -2.14 -0.07 0.00 -0.91 0.00 0.00 33.84 30.85 3hj1 n VAL 124 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3hj1 n THR 125 N -4.31 0.11 -0.60 2.52 -2.24 -1.23 -4.97 114.28 103.55 3hj1 n THR 125 Ca -0.26 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3hj1 n THR 125 Cb 0.61 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 3hj1 n THR 125 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hj1 n GLY 126 N 1.34 1.52 3.75 3.38 0.00 -0.27 -5.00 105.19 109.91 3hj1 n GLY 126 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hj1 n GLY 126 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hj1 s ILE 127 N -3.33 2.16 -0.02 -0.61 1.01 -1.26 -4.56 121.20 114.58 3hj1 s ILE 127 Ca 0.00 0.14 -0.30 0.00 0.00 0.00 0.00 60.65 60.49 3hj1 s ILE 127 Cb 0.00 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 3hj1 s ILE 127 CO 0.00 0.02 1.06 -1.00 0.00 0.00 0.00 174.94 175.02 3hj1 s HIS 128 N -0.05 3.51 0.05 3.97 3.76 -1.26 -0.96 115.29 124.31 3hj1 s HIS 128 Ca 0.62 1.53 0.08 0.00 -0.15 0.00 0.00 55.06 57.14 3hj1 s HIS 128 Cb -0.47 -3.24 -0.03 0.00 1.11 0.00 0.00 32.58 29.95 3hj1 s HIS 128 CO 0.48 -0.49 -0.22 0.00 -0.85 0.00 0.00 174.74 173.66 3hj1 s ASP 130 N -1.41 2.65 -0.16 0.00 -1.08 0.07 -2.12 116.67 114.62 3hj1 s ASP 130 Ca 0.14 -0.59 -0.02 0.00 -0.52 0.00 0.00 52.55 51.56 3hj1 s ASP 130 Cb -0.10 -0.82 -0.02 0.00 -1.46 0.00 0.00 42.92 40.51 3hj1 s ASP 130 CO 0.04 -0.19 -0.08 -0.69 0.52 0.00 0.00 175.17 174.77 3hj1 s VAL 131 N 1.70 3.44 0.17 1.11 1.01 -0.07 -0.22 120.40 127.54 3hj1 s VAL 131 Ca 0.01 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.51 3hj1 s VAL 131 Cb -0.15 -2.50 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3hj1 s VAL 131 CO -0.08 0.49 -0.02 -0.94 0.00 0.00 0.00 175.10 174.56 3hj1 s SER 132 N 0.60 1.34 -0.11 3.32 1.04 -0.70 -1.26 113.70 117.93 3hj1 s SER 132 Ca -0.05 -1.15 -0.26 0.00 0.48 0.00 0.00 55.95 54.98 3hj1 s SER 132 Cb -0.15 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.04 3hj1 s SER 132 CO 0.03 -0.53 0.83 -0.63 0.98 0.00 0.00 173.24 173.92 3hj1 s ILE 133 N -3.59 4.92 -1.41 -1.02 1.01 -1.26 0.04 121.20 119.89 3hj1 s ILE 133 Ca 0.23 1.67 -0.05 0.00 0.00 0.00 0.00 60.65 62.49 3hj1 s ILE 133 Cb 0.06 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.41 3hj1 s ILE 133 CO 0.03 0.11 0.74 0.61 0.00 0.00 0.00 174.94 176.43 3hj1 n GLY 134 N 3.25 -0.35 3.10 6.18 0.00 -0.10 -4.82 105.19 112.45 3hj1 n GLY 134 Ca 0.03 0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3hj1 n GLY 134 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hj1 n ASN 135 N -2.96 3.29 -0.15 1.61 2.85 -1.26 -4.74 115.26 113.91 3hj1 n ASN 135 Ca -0.18 -2.76 -0.10 0.00 -0.11 0.00 0.00 54.58 51.43 3hj1 n ASN 135 Cb 0.62 -1.44 -0.01 0.00 1.24 0.00 0.00 39.78 40.20 3hj1 n ASN 135 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 3hj1 h ILE 136 N 4.67 1.25 -0.50 -1.44 1.08 -1.99 -2.51 117.51 118.07 3hj1 h ILE 136 Ca 0.45 -0.91 0.06 0.00 -0.39 0.00 0.00 64.86 64.06 3hj1 h ILE 136 Cb 0.72 1.01 -0.05 0.00 -3.07 0.00 0.00 36.82 35.43 3hj1 h ILE 136 CO 1.79 0.32 0.21 1.23 -0.69 0.00 0.00 178.15 181.00 3hj1 h GLY 137 N 0.57 0.69 0.60 5.37 0.00 -1.94 -1.64 103.07 106.72 3hj1 h GLY 137 Ca 0.13 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.37 3hj1 h GLY 137 CO 0.01 0.05 0.05 -1.33 0.00 0.00 0.00 176.54 175.33 3hj1 h GLY 138 N 0.42 0.36 0.96 4.60 0.00 -1.91 0.13 103.07 107.62 3hj1 h GLY 138 Ca 0.23 -0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 3hj1 h GLY 138 CO -0.21 -0.03 0.15 -2.08 0.00 0.00 0.00 176.54 174.38 3hj1 h VAL 139 N 0.16 1.12 -0.33 4.60 2.07 -1.27 -2.28 116.25 120.32 3hj1 h VAL 139 Ca 0.15 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 3hj1 h VAL 139 Cb 0.17 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3hj1 h VAL 139 CO -0.21 0.12 -0.03 -0.33 0.02 0.00 0.00 177.57 177.14 3hj1 h GLU 140 N 0.33 0.61 -0.04 1.57 4.39 -0.93 -2.45 114.58 118.07 3hj1 h GLU 140 Ca 0.10 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.46 3hj1 h GLU 140 Cb 0.06 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3hj1 h GLU 140 CO -0.02 0.76 -0.54 -2.95 -1.16 0.00 0.00 179.01 175.11 3hj1 h ASN 141 N 0.41 0.11 -0.38 1.42 7.08 -0.99 -2.30 115.58 120.93 3hj1 h ASN 141 Ca 0.09 -0.06 -0.05 0.00 -3.08 0.00 0.00 56.30 53.20 3hj1 h ASN 141 Cb 0.51 -0.03 -0.02 0.00 -2.08 0.00 0.00 38.32 36.69 3hj1 h ASN 141 CO 0.02 0.63 0.06 0.28 -2.08 0.00 0.00 177.43 176.34 3hj1 h SER 142 N 0.08 0.67 -0.33 6.14 0.02 -1.33 -0.85 113.55 117.94 3hj1 h SER 142 Ca -0.00 -0.13 -0.16 0.00 -0.84 0.00 0.00 61.79 60.66 3hj1 h SER 142 Cb 0.98 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.34 3hj1 h SER 142 CO 0.08 0.70 -0.39 0.11 -1.14 0.00 0.00 176.83 176.19 3hj1 h LYS 143 N 0.68 0.89 -0.44 3.45 1.57 -1.05 -0.28 116.57 121.38 3hj1 h LYS 143 Ca 0.15 -0.46 -0.03 0.00 -1.87 0.00 0.00 60.65 58.43 3hj1 h LYS 143 Cb 0.33 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3hj1 h LYS 143 CO 0.01 1.11 0.16 0.82 -0.57 0.00 0.00 179.45 180.98 3hj1 h ILE 144 N 0.72 1.21 -0.80 1.86 2.04 -1.03 -1.35 117.51 120.16 3hj1 h ILE 144 Ca 0.06 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 3hj1 h ILE 144 Cb 0.97 0.83 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3hj1 h ILE 144 CO 0.09 0.25 0.49 -0.07 0.00 0.00 0.00 178.15 178.91 3hj1 h LEU 145 N 0.58 0.96 -0.36 1.44 3.38 -1.05 -0.93 115.31 119.33 3hj1 h LEU 145 Ca 0.15 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3hj1 h LEU 145 Cb 0.23 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3hj1 h LEU 145 CO -0.01 0.74 0.06 0.00 0.09 0.00 0.00 178.44 179.32 3hj1 h ALA 147 N 1.27 1.57 0.07 0.00 0.00 -0.64 -0.82 119.26 120.71 3hj1 h ALA 147 Ca 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hj1 h ALA 147 Cb 0.20 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hj1 h ALA 147 CO -0.23 0.40 -0.03 0.82 0.00 0.00 0.00 179.25 180.20 3hj1 h ILE 148 N 0.81 1.10 -0.81 0.00 2.04 -0.66 -2.96 117.51 117.02 3hj1 h ILE 148 Ca 0.22 -0.56 0.08 0.00 1.00 0.00 0.00 64.86 65.60 3hj1 h ILE 148 Cb -0.09 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 3hj1 h ILE 148 CO -0.05 0.14 0.53 -0.09 0.00 0.00 0.00 178.15 178.68 3hj1 h ARG 149 N -0.34 0.80 -0.00 2.37 2.43 -0.54 -2.25 114.38 116.85 3hj1 h ARG 149 Ca -0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3hj1 h ARG 149 Cb 0.30 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 3hj1 h ARG 149 CO 0.01 0.53 0.00 1.96 -1.51 0.00 0.00 179.97 180.97 3hj1 h GLN 150 N 0.83 0.00 -0.70 0.20 7.50 -1.00 -2.17 115.11 119.76 3hj1 h GLN 150 Ca 0.36 0.00 0.14 0.00 0.50 0.00 0.00 58.65 59.65 3hj1 h GLN 150 Cb 0.33 0.00 -0.10 0.00 0.05 0.00 0.00 27.48 27.76 3hj1 h GLN 150 CO -0.13 0.00 0.19 0.28 -1.50 0.00 0.00 178.83 177.66 3hj1 h VAL 151 N 0.00 0.58 -0.94 -0.54 2.07 -1.41 -3.38 116.25 112.63 3hj1 h VAL 151 Ca 0.00 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.36 3hj1 h VAL 151 Cb 0.00 0.25 -0.18 0.00 -1.52 0.00 0.00 31.29 29.84 3hj1 h VAL 151 CO -0.00 0.05 -0.43 0.12 0.02 0.00 0.00 177.57 177.33 3hj1 s PHE 152 N -6.06 -1.61 0.20 1.57 5.99 -1.06 -5.07 117.98 111.94 3hj1 s PHE 152 Ca -0.13 0.09 -0.11 0.00 0.00 0.00 0.00 56.93 56.79 3hj1 s PHE 152 Cb 0.20 0.30 0.26 0.00 0.00 0.00 0.00 43.02 43.78 3hj1 s PHE 152 CO 0.75 -1.13 1.71 -1.35 -0.00 0.00 0.00 175.22 175.21 3hj1 h PRO 153 N 6.51 0.25 -0.11 10.12 0.11 -1.59 -2.23 132.00 145.05 3hj1 h PRO 153 Ca 0.05 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.04 3hj1 h PRO 153 Cb 1.17 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 3hj1 h PRO 153 CO 0.07 0.16 -0.38 -0.44 -0.21 0.00 0.00 178.00 177.20 3hj1 h ASP 154 N 0.25 0.23 0.49 -2.05 3.32 -1.96 0.59 116.42 117.30 3hj1 h ASP 154 Ca 0.29 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 3hj1 h ASP 154 Cb 0.42 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3hj1 h ASP 154 CO -0.38 0.60 -0.24 0.15 -1.72 0.00 0.00 179.24 177.66 3hj1 h PHE 155 N 0.19 -0.61 -0.83 4.55 3.57 -1.80 -1.08 116.94 120.93 3hj1 h PHE 155 Ca 0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3hj1 h PHE 155 Cb 0.77 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.67 3hj1 h PHE 155 CO 0.01 -0.38 0.52 1.88 -2.23 0.00 0.00 178.31 178.11 3hj1 h TYR 156 N -0.90 1.07 -0.10 0.41 0.05 -1.49 -2.44 116.97 113.56 3hj1 h TYR 156 Ca -0.07 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.75 3hj1 h TYR 156 Cb 0.51 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 3hj1 h TYR 156 CO 0.04 0.70 -0.09 0.78 -1.05 0.00 0.00 178.16 178.54 3hj1 h GLY 157 N 1.13 -0.00 0.95 3.88 0.00 0.10 -0.95 103.07 108.18 3hj1 h GLY 157 Ca 0.30 0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.65 3hj1 h GLY 157 CO -0.06 -0.10 -0.13 0.00 0.00 0.00 0.00 176.54 176.25 3hj1 h ALA 158 N 0.98 0.48 0.32 3.60 0.00 -1.08 -0.82 119.26 122.75 3hj1 h ALA 158 Ca 0.07 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 3hj1 h ALA 158 Cb 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hj1 h ALA 158 CO -0.17 0.37 -0.21 -0.92 0.00 0.00 0.00 179.25 178.32 3hj1 h TYR 159 N 0.49 -0.56 -0.66 0.00 3.20 -1.36 -1.08 116.97 117.00 3hj1 h TYR 159 Ca 0.08 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.91 3hj1 h TYR 159 Cb 0.65 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 3hj1 h TYR 159 CO 0.06 -0.33 0.28 0.82 -1.64 0.00 0.00 178.16 177.34 3hj1 h ILE 160 N -0.52 1.23 -0.45 1.81 1.08 -1.16 -1.64 117.51 117.86 3hj1 h ILE 160 Ca -0.03 -0.72 0.03 0.00 -0.39 0.00 0.00 64.86 63.75 3hj1 h ILE 160 Cb 0.44 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 3hj1 h ILE 160 CO 0.02 0.29 0.25 -0.74 -0.69 0.00 0.00 178.15 177.28 3hj1 h HIS 161 N 0.92 0.47 -0.33 1.37 -0.00 -1.01 -0.39 115.15 116.18 3hj1 h HIS 161 Ca 0.22 0.02 -0.17 0.00 -0.00 0.00 0.00 60.37 60.44 3hj1 h HIS 161 Cb 0.18 -0.15 -0.00 0.00 -0.00 0.00 0.00 27.41 27.45 3hj1 h HIS 161 CO 0.01 0.26 -0.47 -0.07 -0.00 0.00 0.00 177.93 177.66 3hj1 h LEU 162 N 0.50 0.95 -0.42 0.26 3.38 -0.93 0.15 115.31 119.20 3hj1 h LEU 162 Ca 0.19 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.74 3hj1 h LEU 162 Cb 0.05 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.48 3hj1 h LEU 162 CO -0.10 1.26 0.13 0.58 0.09 0.00 0.00 178.44 180.40 3hj1 h VAL 163 N 0.69 0.85 -0.26 1.22 2.07 -1.01 -0.39 116.25 119.42 3hj1 h VAL 163 Ca 0.04 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 3hj1 h VAL 163 Cb 1.06 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3hj1 h VAL 163 CO 0.11 0.05 -0.06 0.11 0.02 0.00 0.00 177.57 177.80 3hj1 h LYS 164 N 0.29 0.50 -0.22 1.57 1.57 -0.82 0.32 116.57 119.77 3hj1 h LYS 164 Ca 0.20 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3hj1 h LYS 164 Cb 0.20 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 3hj1 h LYS 164 CO -0.22 0.71 0.02 0.00 -0.57 0.00 0.00 179.45 179.40 3hj1 h ALA 165 N 0.77 0.21 -0.02 3.86 0.00 -0.56 0.27 119.26 123.79 3hj1 h ALA 165 Ca 0.07 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hj1 h ALA 165 Cb 0.53 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hj1 h ALA 165 CO 0.03 -0.40 -0.08 2.35 0.00 0.00 0.00 179.25 181.15 3hj1 h TRP 166 N 0.10 -0.19 -0.77 0.00 7.01 -1.02 -2.22 115.95 118.87 3hj1 h TRP 166 Ca 0.10 0.01 0.14 0.00 2.11 0.00 0.00 58.89 61.25 3hj1 h TRP 166 Cb 0.12 0.09 -0.09 0.00 -2.10 0.00 0.00 29.16 27.17 3hj1 h TRP 166 CO -0.17 -0.12 0.34 0.78 -2.79 0.00 0.00 178.44 176.48 3hj1 h GLY 167 N -0.12 1.18 1.06 2.65 0.00 0.42 -1.50 103.07 106.75 3hj1 h GLY 167 Ca 0.04 -0.18 -0.17 0.00 0.00 0.00 0.00 47.33 47.02 3hj1 h GLY 167 CO -0.10 -0.06 -0.53 0.50 0.00 0.00 0.00 176.54 176.35 3hj1 h LYS 168 N 0.50 0.75 -0.56 4.80 1.57 -0.40 0.39 116.57 123.62 3hj1 h LYS 168 Ca 0.41 -0.51 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 3hj1 h LYS 168 Cb 0.59 0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3hj1 h LYS 168 CO -0.37 1.13 0.09 0.00 -0.57 0.00 0.00 179.45 179.74 3hj1 h ALA 169 N 0.61 1.11 -0.34 3.86 0.00 -1.01 -2.78 119.26 120.71 3hj1 h ALA 169 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hj1 h ALA 169 Cb 1.15 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3hj1 h ALA 169 CO 0.12 0.58 0.00 0.54 0.00 0.00 0.00 179.25 180.49 3hj1 n ARG 170 N -4.24 2.18 -1.56 0.00 5.12 -0.60 0.37 116.66 117.93 3hj1 n ARG 170 Ca 0.04 -1.79 -0.19 0.00 -1.93 0.00 0.00 57.85 53.97 3hj1 n ARG 170 Cb 0.26 -1.45 -0.08 0.00 -1.16 0.00 0.00 32.46 30.03 3hj1 n ARG 170 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3hj1 n GLU 171 N 1.00 -1.50 -0.04 5.56 1.02 -0.89 -4.84 120.64 120.94 3hj1 n GLU 171 Ca 0.18 1.18 -0.08 0.00 -0.02 0.00 0.00 57.16 58.41 3hj1 n GLU 171 Cb 0.48 -5.57 0.08 0.00 -0.02 0.00 0.00 31.44 26.41 3hj1 n GLU 171 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hj1 h VAL 172 N 0.00 1.29 -3.35 2.62 2.07 -1.57 -3.37 116.25 113.94 3hj1 h VAL 172 Ca -0.39 -1.51 -0.76 0.00 0.82 0.00 0.00 66.70 64.86 3hj1 h VAL 172 Cb 1.33 1.45 -0.26 0.00 -1.52 0.00 0.00 31.29 32.29 3hj1 h VAL 172 CO 0.58 0.49 -0.19 -0.63 0.02 0.00 0.00 177.57 177.83 3hj1 s ILE 173 N -4.35 4.98 -0.50 4.57 1.01 0.03 -1.54 121.20 125.39 3hj1 s ILE 173 Ca -0.08 -1.89 0.07 0.00 0.00 0.00 0.00 60.65 58.74 3hj1 s ILE 173 Cb 0.12 -4.18 0.20 0.00 0.01 0.00 0.00 42.46 38.61 3hj1 s ILE 173 CO 0.83 -0.89 0.71 0.00 0.00 0.00 0.00 174.94 175.60 3hj1 n ALA 174 N 4.75 -1.29 -0.11 9.38 0.00 -0.42 -4.37 120.51 128.45 3hj1 n ALA 174 Ca -0.04 -1.32 0.12 0.00 0.00 0.00 0.00 53.44 52.20 3hj1 n ALA 174 Cb 0.42 -1.39 0.48 0.00 0.00 0.00 0.00 19.45 18.96 3hj1 n ALA 174 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hj1 h PRO 175 N 4.91 0.44 0.00 0.00 0.11 -1.71 0.79 132.00 136.54 3hj1 h PRO 175 Ca 0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.14 3hj1 h PRO 175 Cb 1.08 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3hj1 h PRO 175 CO 0.10 0.29 0.00 -0.85 -0.21 0.00 0.00 178.00 177.33 3hj1 n GLU 176 N -4.47 0.19 -0.46 1.05 0.28 -1.26 -2.28 120.64 113.68 3hj1 n GLU 176 Ca 0.11 0.32 0.09 0.00 -0.16 0.00 0.00 57.16 57.51 3hj1 n GLU 176 Cb 0.38 -1.80 0.30 0.00 1.43 0.00 0.00 31.44 31.75 3hj1 n GLU 176 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 3hj1 n ARG 177 N -2.15 3.29 -1.82 3.44 1.74 0.23 -4.95 116.66 116.44 3hj1 n ARG 177 Ca 0.04 -2.66 -0.16 0.00 -0.77 0.00 0.00 57.85 54.30 3hj1 n ARG 177 Cb 0.30 -1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 30.00 3hj1 n ARG 177 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3hj1 n SER 178 N 0.88 -4.79 -0.23 0.55 7.64 -0.97 -4.99 113.62 111.71 3hj1 n SER 178 Ca 0.22 0.21 0.00 0.00 1.01 0.00 0.00 58.87 60.31 3hj1 n SER 178 Cb 0.74 -3.77 0.00 0.00 -1.01 0.00 0.00 64.21 60.18 3hj1 n SER 178 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 3hj1 n THR 179 N -3.19 0.00 -1.99 0.44 -2.24 -0.95 -3.17 114.28 103.19 3hj1 n THR 179 Ca -0.17 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.29 3hj1 n THR 179 Cb 0.57 -0.73 0.01 0.00 -2.10 0.00 0.00 70.33 68.08 3hj1 n THR 179 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3hj1 s PHE 180 N 2.14 3.08 0.55 4.78 0.08 -0.59 -4.23 117.98 123.79 3hj1 s PHE 180 Ca 0.00 1.48 0.01 0.00 0.12 0.00 0.00 56.93 58.54 3hj1 s PHE 180 Cb 0.00 -2.95 0.03 0.00 -0.57 0.00 0.00 43.02 39.53 3hj1 s PHE 180 CO 0.00 -1.04 0.77 0.54 -0.10 0.00 0.00 175.22 175.40 3hj1 s ASN 181 N -3.06 5.32 0.24 1.36 2.20 -1.26 -1.30 114.94 118.44 3hj1 s ASN 181 Ca 0.62 0.05 -0.04 0.00 -0.94 0.00 0.00 52.86 52.54 3hj1 s ASN 181 Cb -0.15 -0.96 0.27 0.00 -2.00 0.00 0.00 41.25 38.41 3hj1 s ASN 181 CO 0.40 -1.11 1.77 0.28 -2.94 0.00 0.00 177.10 175.50 3hj1 h SER 182 N 0.07 0.91 -0.77 3.54 0.02 -1.96 -2.76 113.55 112.61 3hj1 h SER 182 Ca -0.43 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.29 3hj1 h SER 182 Cb 1.29 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 3hj1 h SER 182 CO 0.53 0.89 0.31 0.15 -1.14 0.00 0.00 176.83 177.57 3hj1 h PHE 183 N 0.91 1.17 -0.45 3.45 3.57 -1.99 0.29 116.94 123.89 3hj1 h PHE 183 Ca 0.19 -0.08 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 3hj1 h PHE 183 Cb 0.36 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3hj1 h PHE 183 CO 0.02 0.88 -0.24 1.15 -2.23 0.00 0.00 178.31 177.90 3hj1 h THR 184 N 1.12 1.27 0.01 4.41 2.02 -1.83 -1.35 112.91 118.56 3hj1 h THR 184 Ca 0.26 -1.40 -0.22 0.00 0.77 0.00 0.00 66.41 65.82 3hj1 h THR 184 Cb 0.21 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3hj1 h THR 184 CO -0.02 0.48 -0.94 0.58 0.37 0.00 0.00 175.52 175.99 3hj1 h VAL 185 N 0.81 1.43 -0.21 3.16 2.07 -1.30 -1.69 116.25 120.52 3hj1 h VAL 185 Ca 0.10 -2.52 0.04 0.00 0.82 0.00 0.00 66.70 65.14 3hj1 h VAL 185 Cb 0.82 2.46 -0.04 0.00 -1.52 0.00 0.00 31.29 33.00 3hj1 h VAL 185 CO 0.07 0.75 -0.07 0.74 0.02 0.00 0.00 177.57 179.07 3hj1 h THR 186 N 0.19 0.74 -0.68 2.57 2.02 -0.80 0.57 112.91 117.53 3hj1 h THR 186 Ca -0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3hj1 h THR 186 Cb 1.58 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 3hj1 h THR 186 CO 0.16 0.00 0.41 0.74 0.37 0.00 0.00 175.52 177.20 3hj1 h THR 187 N -0.04 1.19 -0.11 3.16 2.02 -1.08 -0.56 112.91 117.50 3hj1 h THR 187 Ca 0.11 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 66.89 3hj1 h THR 187 Cb 0.20 0.25 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3hj1 h THR 187 CO -0.24 0.20 -0.05 0.24 0.37 0.00 0.00 175.52 176.05 3hj1 h MET 188 N 0.92 -0.03 -0.77 6.66 2.86 -0.82 -1.13 114.93 122.61 3hj1 h MET 188 Ca 0.24 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 3hj1 h MET 188 Cb -0.04 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 3hj1 h MET 188 CO -0.05 -0.02 0.45 0.00 1.06 0.00 0.00 176.91 178.35 3hj1 h ALA 189 N 1.08 1.34 -0.00 6.32 0.00 -0.35 -1.50 119.26 126.14 3hj1 h ALA 189 Ca 0.06 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3hj1 h ALA 189 Cb 0.13 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hj1 h ALA 189 CO -0.14 0.56 -0.51 -0.07 0.00 0.00 0.00 179.25 179.10 3hj1 h LEU 190 N 1.07 0.01 -0.92 0.00 3.38 -0.67 -2.88 115.31 115.30 3hj1 h LEU 190 Ca 0.28 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 3hj1 h LEU 190 Cb -0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3hj1 h LEU 190 CO -0.05 0.51 0.06 -0.03 0.09 0.00 0.00 178.44 179.02 3hj1 h MET 191 N 0.00 0.85 -0.90 1.13 4.05 -0.15 -1.47 114.93 118.45 3hj1 h MET 191 Ca -0.00 -0.21 0.03 0.00 -0.28 0.00 0.00 59.70 59.23 3hj1 h MET 191 Cb 0.90 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 31.54 3hj1 h MET 191 CO 0.07 0.81 0.59 0.28 0.23 0.00 0.00 176.91 178.89 3hj1 h VAL 192 N 0.80 1.17 -0.30 -5.77 2.07 -1.29 -1.04 116.25 111.89 3hj1 h VAL 192 Ca 0.16 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 3hj1 h VAL 192 Cb 0.40 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 3hj1 h VAL 192 CO 0.01 0.21 0.10 -0.07 0.02 0.00 0.00 177.57 177.84 3hj1 h LEU 193 N 1.16 0.44 -0.56 2.57 3.38 -1.26 -1.48 115.31 119.55 3hj1 h LEU 193 Ca 0.35 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.24 3hj1 h LEU 193 Cb -0.03 -0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.50 3hj1 h LEU 193 CO -0.11 0.52 -0.08 1.56 0.09 0.00 0.00 178.44 180.43 3hj1 h GLN 194 N 0.33 0.05 0.00 1.13 4.20 -0.97 0.11 115.11 119.96 3hj1 h GLN 194 Ca 0.10 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3hj1 h GLN 194 Cb 0.24 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 3hj1 h GLN 194 CO -0.00 0.03 -0.06 0.93 -0.67 0.00 0.00 178.83 179.06 3hj1 h GLU 195 N 0.05 0.00 -0.01 1.46 4.39 -0.53 -1.65 114.58 118.29 3hj1 h GLU 195 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 3hj1 h GLU 195 Cb 0.44 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.09 3hj1 h GLU 195 CO -0.53 0.06 -0.26 1.28 -1.16 0.00 0.00 179.01 178.39 3hj1 n LEU 196 N -3.94 0.94 0.00 1.33 4.77 -0.50 -4.91 117.00 114.69 3hj1 n LEU 196 Ca -0.03 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 3hj1 n LEU 196 Cb 0.15 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3hj1 n LEU 196 CO 0.30 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 3hj1 n GLY 197 N 1.34 0.51 1.33 -0.72 0.00 -0.62 -4.94 105.19 102.09 3hj1 n GLY 197 Ca 0.12 -0.54 0.10 0.00 0.00 0.00 0.00 46.02 45.70 3hj1 n GLY 197 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hj1 n LEU 198 N 0.00 4.09 -3.59 0.99 4.77 0.26 -4.87 117.00 118.65 3hj1 n LEU 198 Ca 0.00 -2.16 -0.14 0.00 -0.03 0.00 0.00 56.01 53.68 3hj1 n LEU 198 Cb 0.00 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.54 3hj1 n LEU 198 CO 0.00 0.90 0.52 -0.22 -1.33 0.00 0.00 177.39 177.25 3hj1 s LEU 199 N -1.30 -0.63 0.60 2.23 2.96 -1.22 -4.79 118.68 116.52 3hj1 s LEU 199 Ca 0.46 1.01 -0.16 0.00 -0.22 0.00 0.00 54.13 55.23 3hj1 s LEU 199 Cb 0.26 2.33 -0.03 0.00 0.50 0.00 0.00 46.19 49.26 3hj1 s LEU 199 CO 0.28 -0.36 1.07 -2.16 -1.32 0.00 0.00 176.35 173.86 3hj1 s PRO 200 N -0.31 3.22 -0.01 0.98 0.04 -1.26 -4.21 135.00 133.45 3hj1 s PRO 200 Ca -0.03 1.25 -0.26 0.00 0.04 0.00 0.00 61.00 61.99 3hj1 s PRO 200 Cb -0.03 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3hj1 s PRO 200 CO 0.03 -0.89 0.81 0.08 0.04 0.00 0.00 177.00 177.07 3hj1 s VAL 201 N -2.42 4.89 -1.39 -0.36 1.01 -1.26 -4.87 120.40 115.99 3hj1 s VAL 201 Ca 0.64 1.71 -0.08 0.00 0.00 0.00 0.00 61.98 64.25 3hj1 s VAL 201 Cb -0.17 -4.16 0.08 0.00 0.00 0.00 0.00 36.38 32.14 3hj1 s VAL 201 CO 0.38 0.26 2.35 0.49 0.00 0.00 0.00 175.10 178.57 3hj1 n PHE 202 N 3.52 2.74 1.61 5.22 3.72 -0.77 -4.73 117.46 128.76 3hj1 n PHE 202 Ca 0.01 -2.88 0.15 0.00 -0.05 0.00 0.00 57.45 54.68 3hj1 n PHE 202 Cb 0.51 -2.07 0.81 0.00 -0.94 0.00 0.00 39.48 37.80 3hj1 n PHE 202 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hj1 n SER 203 N 3.07 0.02 -2.99 4.37 3.41 -1.24 -4.06 113.62 116.20 3hj1 n SER 203 Ca 0.59 -0.43 -0.26 0.00 -0.26 0.00 0.00 58.87 58.51 3hj1 n SER 203 Cb 0.29 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 3hj1 n SER 203 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3hj1 n LYS 204 N -1.18 2.98 -1.86 4.33 3.00 -1.26 -5.03 118.16 119.14 3hj1 n LYS 204 Ca 0.17 -4.71 -0.42 0.00 -0.00 0.00 0.00 58.31 53.36 3hj1 n LYS 204 Cb 0.20 -2.18 -0.02 0.00 0.00 0.00 0.00 35.03 33.02 3hj1 n LYS 204 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3hj1 s PRO 205 N -3.32 4.18 -0.10 1.64 0.04 -1.26 -4.91 135.00 131.28 3hj1 s PRO 205 Ca 0.48 2.46 0.13 0.00 0.04 0.00 0.00 61.00 64.11 3hj1 s PRO 205 Cb 0.28 -3.09 0.28 0.00 0.04 0.00 0.00 34.50 32.01 3hj1 s PRO 205 CO -0.13 -0.61 1.19 0.25 0.04 0.00 0.00 177.00 177.74 3hj1 n THR 206 N 3.15 1.69 -1.83 1.26 -2.24 -1.23 -4.81 114.28 110.27 3hj1 n THR 206 Ca 0.11 -1.78 -0.35 0.00 -2.27 0.00 0.00 64.05 59.76 3hj1 n THR 206 Cb 0.38 -0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.65 3hj1 n THR 206 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3hj1 s GLY 207 N -2.07 2.60 0.58 3.38 0.00 0.07 -4.88 107.32 107.00 3hj1 s GLY 207 Ca 0.26 0.95 0.29 0.00 0.00 0.00 0.00 44.72 46.22 3hj1 s GLY 207 CO 0.05 1.34 1.91 -2.09 0.00 0.00 0.00 173.10 174.31 3hj1 h GLU 208 N 0.50 0.00 -0.18 2.90 4.81 -1.97 0.33 114.58 120.96 3hj1 h GLU 208 Ca -0.49 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 3hj1 h GLU 208 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 3hj1 h GLU 208 CO 0.54 0.00 0.00 1.19 -0.73 0.00 0.00 179.01 180.01 3hj1 n PHE 209 N -3.84 0.65 -0.87 0.92 3.72 -1.26 -4.95 117.46 111.83 3hj1 n PHE 209 Ca 0.09 -0.91 0.00 0.00 -0.05 0.00 0.00 57.45 56.58 3hj1 n PHE 209 Cb 0.68 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 3hj1 n PHE 209 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hj1 n GLY 210 N -0.78 0.69 3.92 1.37 0.00 0.12 -4.74 105.19 105.76 3hj1 n GLY 210 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 3hj1 n GLY 210 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hj1 s GLU 211 N -0.13 2.98 0.07 1.61 1.03 -1.26 -4.66 118.70 118.35 3hj1 s GLU 211 Ca 0.00 -0.05 -0.28 0.00 0.03 0.00 0.00 54.97 54.67 3hj1 s GLU 211 Cb 0.00 -2.31 -0.05 0.00 -0.80 0.00 0.00 34.13 30.97 3hj1 s GLU 211 CO 0.00 -0.62 0.90 -1.17 -1.33 0.00 0.00 175.26 173.05 3hj1 s LEU 212 N -4.92 4.46 0.33 1.83 2.96 -0.43 -0.75 118.68 122.15 3hj1 s LEU 212 Ca 0.53 1.66 0.07 0.00 -0.22 0.00 0.00 54.13 56.17 3hj1 s LEU 212 Cb -0.10 -3.47 -0.02 0.00 0.50 0.00 0.00 46.19 43.09 3hj1 s LEU 212 CO 0.44 -0.08 0.34 0.42 -1.32 0.00 0.00 176.35 176.15 3hj1 s THR 213 N 0.17 3.74 0.17 3.68 -4.23 -1.26 -4.46 115.64 113.45 3hj1 s THR 213 Ca 0.45 -1.27 -0.14 0.00 -1.18 0.00 0.00 61.69 59.56 3hj1 s THR 213 Cb -0.22 -3.27 0.07 0.00 1.34 0.00 0.00 72.50 70.42 3hj1 s THR 213 CO 0.27 -0.18 1.83 0.58 -0.54 0.00 0.00 174.62 176.58 3hj1 h VAL 214 N 1.16 1.15 -0.39 2.29 2.07 -1.97 -1.70 116.25 118.86 3hj1 h VAL 214 Ca -0.45 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.72 3hj1 h VAL 214 Cb 1.25 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.37 3hj1 h VAL 214 CO 0.57 0.14 -0.00 0.00 0.02 0.00 0.00 177.57 178.30 3hj1 h ALA 215 N 1.19 1.27 -0.15 1.67 0.00 -1.98 0.11 119.26 121.36 3hj1 h ALA 215 Ca 0.20 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3hj1 h ALA 215 Cb -0.06 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3hj1 h ALA 215 CO -0.04 0.49 -0.16 -0.44 0.00 0.00 0.00 179.25 179.10 3hj1 h ASP 216 N 0.59 -0.50 -0.05 0.00 3.32 -1.79 -2.26 116.42 115.74 3hj1 h ASP 216 Ca 0.12 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3hj1 h ASP 216 Cb 0.38 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.17 3hj1 h ASP 216 CO 0.01 -0.20 -0.00 0.00 -1.72 0.00 0.00 179.24 177.33 3hj1 h ALA 217 N 0.87 0.07 -0.50 3.45 0.00 -0.75 -2.83 119.26 119.57 3hj1 h ALA 217 Ca 0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hj1 h ALA 217 Cb 0.34 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hj1 h ALA 217 CO -0.26 -0.25 0.29 0.93 0.00 0.00 0.00 179.25 179.96 3hj1 h GLU 218 N -0.22 0.68 -0.34 0.00 5.08 -0.80 -1.33 114.58 117.65 3hj1 h GLU 218 Ca 0.01 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.14 3hj1 h GLU 218 Cb 0.35 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hj1 h GLU 218 CO 0.00 0.49 -0.47 0.52 -1.00 0.00 0.00 179.01 178.55 3hj1 h MET 219 N 0.69 0.92 -0.24 2.33 2.86 -1.38 0.21 114.93 120.32 3hj1 h MET 219 Ca 0.18 -0.53 -0.19 0.00 -2.06 0.00 0.00 59.70 57.10 3hj1 h MET 219 Cb -0.00 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3hj1 h MET 219 CO -0.03 1.18 -0.60 1.25 1.06 0.00 0.00 176.91 179.77 3hj1 h LEU 220 N 0.72 0.90 -0.31 1.22 5.85 -1.20 -3.32 115.31 119.17 3hj1 h LEU 220 Ca 0.04 -0.50 -0.20 0.00 0.84 0.00 0.00 57.88 58.05 3hj1 h LEU 220 Cb 1.08 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3hj1 h LEU 220 CO 0.11 1.29 -0.73 -0.07 -0.34 0.00 0.00 178.44 178.70 3hj1 h LEU 221 N 0.59 0.69 -0.95 2.25 3.38 -1.14 -2.57 115.31 117.56 3hj1 h LEU 221 Ca -0.00 -0.45 0.23 0.00 0.09 0.00 0.00 57.88 57.76 3hj1 h LEU 221 Cb 1.20 -0.20 -0.12 0.00 0.09 0.00 0.00 40.66 41.62 3hj1 h LEU 221 CO 0.13 1.21 0.51 -0.61 0.09 0.00 0.00 178.44 179.76 3hj1 h GLN 222 N 0.41 0.49 0.00 1.13 4.15 -1.04 -1.70 115.11 118.54 3hj1 h GLN 222 Ca -0.04 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.36 3hj1 h GLN 222 Cb 1.33 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.91 3hj1 h GLN 222 CO 0.14 0.32 -0.72 1.49 -1.93 0.00 0.00 178.83 178.14 3hj1 h GLU 223 N 0.50 0.00 -6.78 1.69 4.57 -1.60 -3.48 114.58 109.48 3hj1 h GLU 223 Ca 0.61 0.00 -0.52 0.00 -1.18 0.00 0.00 59.36 58.26 3hj1 h GLU 223 Cb 1.15 0.00 0.05 0.00 -0.16 0.00 0.00 28.75 29.79 3hj1 h GLU 223 CO -0.50 0.00 0.65 0.12 -1.18 0.00 0.00 179.01 178.11 3hj1 s PHE 224 N -3.23 3.16 -0.09 0.92 5.36 -0.64 -5.03 117.98 118.42 3hj1 s PHE 224 Ca 0.04 1.30 0.04 0.00 -0.96 0.00 0.00 56.93 57.35 3hj1 s PHE 224 Cb 0.12 -3.65 -0.01 0.00 -0.34 0.00 0.00 43.02 39.14 3hj1 s PHE 224 CO 0.74 -1.91 -0.21 0.15 -1.46 0.00 0.00 175.22 172.53 3hj1 s LYS 225 N -0.91 2.95 0.69 10.12 -0.14 -1.26 -5.03 119.74 126.16 3hj1 s LYS 225 Ca 0.53 -0.83 -0.11 0.00 -1.36 0.00 0.00 55.97 54.20 3hj1 s LYS 225 Cb -0.38 -2.34 0.00 0.00 -1.68 0.00 0.00 37.83 33.43 3hj1 s LYS 225 CO 0.45 0.27 1.07 -0.51 -0.76 0.00 0.00 175.35 175.88 3hj1 s LEU 226 N 0.13 2.98 0.48 3.17 1.43 -1.26 -5.00 118.68 120.62 3hj1 s LEU 226 Ca -0.11 1.28 -0.22 0.00 -1.03 0.00 0.00 54.13 54.05 3hj1 s LEU 226 Cb -0.16 -4.14 -0.09 0.00 0.03 0.00 0.00 46.19 41.83 3hj1 s LEU 226 CO 0.06 -1.29 0.89 -2.65 0.23 0.00 0.00 176.35 173.60 3hj1 n PRO 227 N -2.99 1.06 -0.19 1.29 -0.02 -1.26 -4.86 135.00 128.02 3hj1 n PRO 227 Ca 0.07 0.39 0.18 0.00 -2.02 0.00 0.00 63.50 62.11 3hj1 n PRO 227 Cb 0.56 -1.98 0.53 0.00 -0.02 0.00 0.00 33.50 32.59 3hj1 n PRO 227 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3hj1 h PRO 228 N 1.04 0.36 -0.78 0.52 0.11 -2.04 -1.34 132.00 129.88 3hj1 h PRO 228 Ca -0.45 -0.02 0.20 0.00 0.11 0.00 0.00 66.00 65.84 3hj1 h PRO 228 Cb 1.36 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 3hj1 h PRO 228 CO 0.54 0.24 0.54 0.97 -0.21 0.00 0.00 178.00 180.07 3hj1 h ILE 229 N 0.37 0.67 0.00 4.15 6.09 -2.02 -1.60 117.51 125.17 3hj1 h ILE 229 Ca 0.41 -0.06 -0.01 0.00 -1.37 0.00 0.00 64.86 63.83 3hj1 h ILE 229 Cb 1.03 0.48 -0.00 0.00 0.47 0.00 0.00 36.82 38.80 3hj1 h ILE 229 CO -0.13 0.03 -0.04 1.88 -3.07 0.00 0.00 178.15 176.82 3hj1 h TYR 230 N 0.18 0.00 0.00 2.19 0.05 -1.58 -1.47 116.97 116.34 3hj1 h TYR 230 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.16 3hj1 h TYR 230 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 3hj1 h TYR 230 CO -0.00 0.04 0.00 -0.44 -1.05 0.00 0.00 178.16 176.71 3hj1 h ASP 231 N 0.00 0.00 -0.62 3.88 5.19 -1.47 -2.06 116.42 121.34 3hj1 h ASP 231 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hj1 h ASP 231 Cb 0.14 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.65 3hj1 h ASP 231 CO 0.01 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 174.59 3hj1 n SER 232 N -2.71 4.24 -0.73 6.45 3.41 -0.55 -4.51 113.62 119.22 3hj1 n SER 232 Ca -0.00 -2.28 0.07 0.00 -0.26 0.00 0.00 58.87 56.39 3hj1 n SER 232 Cb 0.17 -0.50 0.17 0.00 -0.26 0.00 0.00 64.21 63.79 3hj1 n SER 232 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hj1 n LEU 233 N 1.12 2.98 0.04 1.04 4.32 -0.77 -4.65 117.00 121.08 3hj1 n LEU 233 Ca 0.23 -1.90 0.12 0.00 -0.02 0.00 0.00 56.01 54.45 3hj1 n LEU 233 Cb 0.75 -0.24 0.28 0.00 -1.62 0.00 0.00 43.42 42.59 3hj1 n LEU 233 CO 0.19 0.73 0.52 1.41 -1.22 0.00 0.00 177.39 179.02 3hj1 n HIS 234 N 0.69 0.35 -0.47 -1.77 8.25 -1.26 -4.12 115.22 116.89 3hj1 n HIS 234 Ca 0.13 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 3hj1 n HIS 234 Cb 0.44 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.01 3hj1 n HIS 234 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3hj1 n ASP 235 N -1.85 1.00 -3.50 0.41 9.92 -1.26 -4.99 116.55 116.28 3hj1 n ASP 235 Ca 0.05 -1.47 -0.20 0.00 -0.53 0.00 0.00 54.79 52.64 3hj1 n ASP 235 Cb 0.39 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.74 3hj1 n ASP 235 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hj1 s ASP 236 N -0.47 1.71 0.36 -2.24 -1.08 -1.26 -5.02 116.67 108.68 3hj1 s ASP 236 Ca 0.00 -0.44 0.27 0.00 -0.52 0.00 0.00 52.55 51.87 3hj1 s ASP 236 Cb 0.00 0.27 1.08 0.00 -1.46 0.00 0.00 42.92 42.81 3hj1 s ASP 236 CO 0.00 -0.35 1.81 0.44 0.52 0.00 0.00 175.17 177.59 3hj1 h ASP 237 N 8.33 0.00 -0.21 -0.34 3.32 -1.94 -1.50 116.42 124.08 3hj1 h ASP 237 Ca -0.17 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.76 3hj1 h ASP 237 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 3hj1 h ASP 237 CO 0.30 0.00 -0.37 -0.33 -1.72 0.00 0.00 179.24 177.13 3hj1 h GLU 238 N 0.00 0.61 -0.11 3.56 5.08 -1.95 -0.26 114.58 121.51 3hj1 h GLU 238 Ca 0.00 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 3hj1 h GLU 238 Cb 0.46 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 3hj1 h GLU 238 CO 0.00 1.00 -0.10 0.87 -1.00 0.00 0.00 179.01 179.77 3hj1 h LYS 239 N 0.30 0.26 -0.61 2.33 1.57 -1.88 -2.88 116.57 115.65 3hj1 h LYS 239 Ca 0.01 -0.13 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 3hj1 h LYS 239 Cb 0.96 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.25 3hj1 h LYS 239 CO 0.08 0.67 0.17 1.25 -0.57 0.00 0.00 179.45 181.05 3hj1 h LEU 240 N -0.15 0.90 -1.89 2.94 5.85 -1.35 -2.25 115.31 119.36 3hj1 h LEU 240 Ca 0.02 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.57 3hj1 h LEU 240 Cb 0.62 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3hj1 h LEU 240 CO 0.03 0.88 0.20 1.23 -0.34 0.00 0.00 178.44 180.43 3hj1 h GLY 241 N 0.87 0.17 1.01 3.75 0.00 -1.09 -0.75 103.07 107.03 3hj1 h GLY 241 Ca 0.19 -0.06 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 3hj1 h GLY 241 CO -0.00 0.04 0.14 0.83 0.00 0.00 0.00 176.54 177.55 3hj1 h GLU 242 N 0.14 0.92 -0.37 4.80 5.08 -1.17 0.14 114.58 124.13 3hj1 h GLU 242 Ca 0.13 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 3hj1 h GLU 242 Cb 0.33 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3hj1 h GLU 242 CO -0.02 0.85 -0.10 0.00 -1.00 0.00 0.00 179.01 178.75 3hj1 h ALA 243 N 1.03 0.51 -0.33 3.43 0.00 -1.14 -1.88 119.26 120.87 3hj1 h ALA 243 Ca 0.18 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3hj1 h ALA 243 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hj1 h ALA 243 CO 0.00 0.37 -0.25 0.28 0.00 0.00 0.00 179.25 179.65 3hj1 h VAL 244 N 0.51 1.27 -0.64 0.00 2.07 -1.16 -2.18 116.25 116.11 3hj1 h VAL 244 Ca 0.09 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 3hj1 h VAL 244 Cb 0.61 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3hj1 h VAL 244 CO 0.04 0.44 0.21 0.15 0.02 0.00 0.00 177.57 178.42 3hj1 h PHE 245 N 0.58 1.03 -0.44 1.57 3.57 -0.61 -0.54 116.94 122.11 3hj1 h PHE 245 Ca 0.08 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 3hj1 h PHE 245 Cb 0.73 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3hj1 h PHE 245 CO 0.03 0.84 0.23 0.35 -2.23 0.00 0.00 178.31 177.53 3hj1 h PHE 246 N 0.93 0.61 -0.57 0.41 3.57 -1.16 -1.48 116.94 119.24 3hj1 h PHE 246 Ca 0.21 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 3hj1 h PHE 246 Cb 0.29 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3hj1 h PHE 246 CO 0.02 0.48 0.15 0.00 -2.23 0.00 0.00 178.31 176.72 3hj1 h LEU 248 N 0.84 0.82 -0.33 0.00 3.38 -0.82 0.60 115.31 119.80 3hj1 h LEU 248 Ca 0.19 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.93 3hj1 h LEU 248 Cb 0.29 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 3hj1 h LEU 248 CO -0.00 0.92 -0.14 1.56 0.09 0.00 0.00 178.44 180.87 3hj1 h GLN 249 N 0.70 -0.07 -0.61 1.13 4.20 -0.81 -1.19 115.11 118.46 3hj1 h GLN 249 Ca 0.14 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 3hj1 h GLN 249 Cb 0.49 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 3hj1 h GLN 249 CO 0.02 -0.05 0.19 0.00 -0.67 0.00 0.00 178.83 178.33 3hj1 h ARG 250 N -0.07 0.94 -0.02 1.46 2.47 -1.08 -1.49 114.38 116.59 3hj1 h ARG 250 Ca 0.17 -0.20 0.02 0.00 -1.26 0.00 0.00 59.98 58.71 3hj1 h ARG 250 Cb 0.33 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 3hj1 h ARG 250 CO -0.39 0.84 -0.12 0.35 0.56 0.00 0.00 179.97 181.21 3hj1 h PHE 251 N 0.87 -0.30 -0.22 3.04 3.57 -0.67 0.26 116.94 123.48 3hj1 h PHE 251 Ca 0.20 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 3hj1 h PHE 251 Cb 0.28 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3hj1 h PHE 251 CO 0.02 -0.18 0.13 0.00 -2.23 0.00 0.00 178.31 176.05 3hj1 h ALA 252 N 0.79 0.28 -0.53 2.41 0.00 -0.98 -2.30 119.26 118.92 3hj1 h ALA 252 Ca 0.05 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3hj1 h ALA 252 Cb 0.26 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3hj1 h ALA 252 CO -0.13 -0.22 0.04 1.49 0.00 0.00 0.00 179.25 180.44 3hj1 h GLU 253 N 0.27 0.91 0.02 0.00 4.81 -1.21 -1.16 114.58 118.23 3hj1 h GLU 253 Ca 0.08 -0.27 0.03 0.00 -0.13 0.00 0.00 59.36 59.07 3hj1 h GLU 253 Cb 0.01 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 3hj1 h GLU 253 CO -0.02 0.91 -0.27 -0.92 -0.73 0.00 0.00 179.01 177.99 3hj1 h TYR 254 N 0.79 -0.73 0.00 0.92 3.20 -0.20 -2.60 116.97 118.36 3hj1 h TYR 254 Ca 0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3hj1 h TYR 254 Cb 0.47 0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.06 3hj1 h TYR 254 CO 0.03 -0.36 -0.31 0.66 -1.64 0.00 0.00 178.16 176.54 3hj1 n TYR 255 N -5.38 0.48 0.21 -3.82 4.01 -0.89 -0.29 117.16 111.48 3hj1 n TYR 255 Ca -0.05 0.14 0.08 0.00 -0.16 0.00 0.00 57.90 57.91 3hj1 n TYR 255 Cb 0.30 -0.65 0.47 0.00 -0.31 0.00 0.00 39.34 39.15 3hj1 n TYR 255 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hj1 h ALA 256 N 2.68 1.13 0.00 -0.72 0.00 -1.06 -3.33 119.26 117.95 3hj1 h ALA 256 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hj1 h ALA 256 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hj1 h ALA 256 CO 0.00 0.34 -0.85 1.63 0.00 0.00 0.00 179.25 180.38 3hj1 n LYS 257 N -3.60 2.42 -1.76 0.00 5.02 -0.99 -4.90 118.16 114.35 3hj1 n LYS 257 Ca -0.01 -0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 3hj1 n LYS 257 Cb 0.41 -1.02 -0.03 0.00 -0.02 0.00 0.00 35.03 34.37 3hj1 n LYS 257 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3hj1 s TYR 258 N -2.13 2.89 -0.71 2.13 5.04 0.60 -4.92 117.35 120.26 3hj1 s TYR 258 Ca 0.00 0.46 -0.24 0.00 -2.44 0.00 0.00 57.07 54.84 3hj1 s TYR 258 Cb 0.05 -4.10 0.05 0.00 0.35 0.00 0.00 41.96 38.31 3hj1 s TYR 258 CO 0.32 -4.08 1.12 0.34 -1.34 0.00 0.00 175.55 171.92 3hj1 s ASP 259 N 1.04 6.18 0.02 4.32 2.15 -1.26 -4.84 116.67 124.29 3hj1 s ASP 259 Ca 0.72 -0.78 0.28 0.00 0.43 0.00 0.00 52.55 53.20 3hj1 s ASP 259 Cb -0.49 -2.49 1.12 0.00 -0.30 0.00 0.00 42.92 40.77 3hj1 s ASP 259 CO 0.35 -1.62 1.86 0.49 -0.17 0.00 0.00 175.17 176.08 3hj1 n PHE 260 N 8.47 0.10 0.17 -5.34 3.72 -1.26 -1.52 117.46 121.79 3hj1 n PHE 260 Ca 0.01 0.03 0.02 0.00 -0.05 0.00 0.00 57.45 57.46 3hj1 n PHE 260 Cb 0.47 -0.52 0.35 0.00 -0.94 0.00 0.00 39.48 38.84 3hj1 n PHE 260 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hj1 h SER 261 N 0.00 0.05 0.00 4.37 4.64 -1.90 -3.33 113.55 117.38 3hj1 h SER 261 Ca 0.00 -0.02 -0.25 0.00 -0.47 0.00 0.00 61.79 61.05 3hj1 h SER 261 Cb 0.53 -0.01 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 3hj1 h SER 261 CO 0.00 0.40 -1.94 0.00 -0.87 0.00 0.00 176.83 174.42 3hj1 n ALA 262 N -2.47 1.69 -2.91 5.18 0.00 -1.23 -4.90 120.51 115.88 3hj1 n ALA 262 Ca -0.02 -0.69 -0.26 0.00 0.00 0.00 0.00 53.44 52.47 3hj1 n ALA 262 Cb 0.39 0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 3hj1 n ALA 262 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hj1 s GLY 263 N -5.52 1.72 0.46 0.00 0.00 -0.58 -0.46 107.32 102.93 3hj1 s GLY 263 Ca -0.22 -0.99 0.06 0.00 0.00 0.00 0.00 44.72 43.57 3hj1 s GLY 263 CO 0.36 -0.98 0.25 -0.51 0.00 0.00 0.00 173.10 172.22 3hj1 s THR 264 N -1.78 2.02 -0.21 0.90 -4.23 -0.08 -4.46 115.64 107.81 3hj1 s THR 264 Ca 0.35 -1.63 -0.06 0.00 -1.18 0.00 0.00 61.69 59.17 3hj1 s THR 264 Cb -0.11 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.06 3hj1 s THR 264 CO 0.29 0.00 0.04 -0.69 -0.54 0.00 0.00 174.62 173.72 3hj1 s VAL 265 N -2.67 4.31 -0.08 2.29 1.01 -0.29 -3.33 120.40 121.64 3hj1 s VAL 265 Ca 0.36 -0.19 -0.13 0.00 0.00 0.00 0.00 61.98 62.02 3hj1 s VAL 265 Cb 0.01 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.45 3hj1 s VAL 265 CO 0.20 0.41 0.32 -0.55 0.00 0.00 0.00 175.10 175.49 3hj1 s SER 266 N 1.01 -0.28 0.01 3.32 0.15 -1.26 -0.87 113.70 115.78 3hj1 s SER 266 Ca 0.03 0.42 0.24 0.00 0.70 0.00 0.00 55.95 57.34 3hj1 s SER 266 Cb -0.14 0.53 0.27 0.00 -1.71 0.00 0.00 66.02 64.97 3hj1 s SER 266 CO 0.02 -0.26 1.24 0.18 1.20 0.00 0.00 173.24 175.63 3hj1 n LEU 267 N 2.20 0.63 0.00 3.45 4.77 -1.26 -3.00 117.00 123.79 3hj1 n LEU 267 Ca -0.17 -0.10 -0.22 0.00 -0.03 0.00 0.00 56.01 55.49 3hj1 n LEU 267 Cb 0.57 -0.17 -0.14 0.00 -2.33 0.00 0.00 43.42 41.35 3hj1 n LEU 267 CO 0.18 0.13 -0.61 0.40 -1.33 0.00 0.00 177.39 176.16 3hj1 h ILE 268 N 0.00 0.83 -2.08 -0.08 2.04 -1.95 -2.06 117.51 114.22 3hj1 h ILE 268 Ca 0.00 -2.36 -0.44 0.00 1.00 0.00 0.00 64.86 63.06 3hj1 h ILE 268 Cb 0.54 2.57 -0.33 0.00 -0.74 0.00 0.00 36.82 38.86 3hj1 h ILE 268 CO 0.00 0.75 -0.77 -2.28 0.00 0.00 0.00 178.15 175.85 3hj1 s HIS 269 N -2.51 0.10 0.32 1.37 5.04 -1.26 -3.62 115.29 114.74 3hj1 s HIS 269 Ca -0.22 -1.31 -0.29 0.00 -1.54 0.00 0.00 55.06 51.71 3hj1 s HIS 269 Cb 0.06 -0.56 -0.12 0.00 0.04 0.00 0.00 32.58 32.00 3hj1 s HIS 269 CO 0.76 -0.94 1.33 -2.30 -2.34 0.00 0.00 174.74 171.25 3hj1 n PRO 270 N 3.76 2.16 -1.03 2.88 -0.02 -1.16 -1.97 135.00 139.62 3hj1 n PRO 270 Ca 0.16 0.76 -0.01 0.00 -2.02 0.00 0.00 63.50 62.39 3hj1 n PRO 270 Cb 0.45 -2.37 -0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3hj1 n PRO 270 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hj1 n ARG 271 N 0.86 -1.03 -1.70 -0.52 1.74 -1.21 -4.96 116.66 109.84 3hj1 n ARG 271 Ca 0.06 0.33 -0.44 0.00 -0.77 0.00 0.00 57.85 57.03 3hj1 n ARG 271 Cb 0.35 -4.15 -0.03 0.00 -1.02 0.00 0.00 32.46 27.62 3hj1 n ARG 271 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 3hj1 n ARG 272 N -1.06 2.31 -1.74 5.56 0.63 -0.83 -4.40 116.66 117.13 3hj1 n ARG 272 Ca -0.01 0.83 -0.41 0.00 -0.92 0.00 0.00 57.85 57.34 3hj1 n ARG 272 Cb 0.28 -2.55 0.01 0.00 0.45 0.00 0.00 32.46 30.65 3hj1 n ARG 272 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 3hj1 n HIS 273 N 2.33 2.53 -0.30 -0.14 -0.00 -1.26 -0.90 115.22 117.48 3hj1 n HIS 273 Ca 0.12 0.47 0.09 0.00 -0.00 0.00 0.00 57.72 58.39 3hj1 n HIS 273 Cb 0.33 -2.44 0.21 0.00 -0.00 0.00 0.00 29.99 28.08 3hj1 n HIS 273 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hj1 h ARG 274 N 2.34 0.06 0.00 1.57 3.08 -1.04 -0.55 114.38 119.84 3hj1 h ARG 274 Ca -0.49 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.48 3hj1 h ARG 274 Cb 1.27 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 3hj1 h ARG 274 CO 0.61 0.04 -0.32 1.79 -1.07 0.00 0.00 179.97 181.02 3hj1 h THR 275 N 0.06 0.86 0.17 2.04 1.35 -1.89 -0.55 112.91 114.95 3hj1 h THR 275 Ca 0.49 -1.28 -0.30 0.00 -0.55 0.00 0.00 66.41 64.77 3hj1 h THR 275 Cb 0.91 1.78 0.02 0.00 -1.73 0.00 0.00 68.15 69.13 3hj1 h THR 275 CO -0.79 0.31 -1.32 0.58 -0.25 0.00 0.00 175.52 174.05 3hj1 h VAL 276 N 0.00 1.35 -0.67 6.82 2.07 -1.65 -2.68 116.25 121.50 3hj1 h VAL 276 Ca -0.00 -2.73 0.06 0.00 0.82 0.00 0.00 66.70 64.85 3hj1 h VAL 276 Cb 0.75 2.89 -0.06 0.00 -1.52 0.00 0.00 31.29 33.35 3hj1 h VAL 276 CO 0.04 0.81 0.37 0.22 0.02 0.00 0.00 177.57 179.03 3hj1 h TYR 277 N 0.16 0.67 -0.38 1.57 3.20 -0.87 -0.49 116.97 120.84 3hj1 h TYR 277 Ca -0.19 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.78 3hj1 h TYR 277 Cb 2.01 -0.20 -0.07 0.00 1.54 0.00 0.00 36.73 40.00 3hj1 h TYR 277 CO 0.10 0.31 -0.11 1.49 -1.64 0.00 0.00 178.16 178.30 3hj1 h GLU 278 N 0.67 -0.03 -0.13 1.82 4.57 -1.05 0.92 114.58 121.36 3hj1 h GLU 278 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 3hj1 h GLU 278 Cb 0.22 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 3hj1 h GLU 278 CO -0.20 -0.02 0.07 -0.09 -1.18 0.00 0.00 179.01 177.60 3hj1 h ARG 279 N -0.03 0.15 -0.75 1.92 1.12 -1.05 -0.37 114.38 115.38 3hj1 h ARG 279 Ca 0.19 -0.01 0.06 0.00 -1.11 0.00 0.00 59.98 59.11 3hj1 h ARG 279 Cb 0.31 -0.03 -0.06 0.00 -0.01 0.00 0.00 29.97 30.18 3hj1 h ARG 279 CO -0.41 0.10 0.44 0.28 -3.11 0.00 0.00 179.97 177.27 3hj1 h VAL 280 N 0.15 0.99 -0.25 0.20 2.07 -0.62 -1.30 116.25 117.50 3hj1 h VAL 280 Ca 0.05 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 3hj1 h VAL 280 Cb -0.00 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 3hj1 h VAL 280 CO -0.03 0.15 0.13 0.58 0.02 0.00 0.00 177.57 178.42 3hj1 h VAL 281 N 0.80 1.12 -0.34 2.57 2.07 -0.45 0.39 116.25 122.41 3hj1 h VAL 281 Ca 0.33 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3hj1 h VAL 281 Cb 0.19 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3hj1 h VAL 281 CO -0.18 0.12 0.21 0.03 0.02 0.00 0.00 177.57 177.77 3hj1 h ARG 282 N 0.29 0.42 -0.46 1.57 3.08 -0.51 0.29 114.38 119.06 3hj1 h ARG 282 Ca 0.09 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.13 3hj1 h ARG 282 Cb 0.07 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 3hj1 h ARG 282 CO -0.01 0.28 0.28 -0.09 -1.07 0.00 0.00 179.97 179.36 3hj1 h ARG 283 N 0.43 0.56 -0.41 0.04 9.65 -1.10 -2.15 114.38 121.40 3hj1 h ARG 283 Ca 0.13 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.01 3hj1 h ARG 283 Cb -0.02 -0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.40 3hj1 h ARG 283 CO -0.05 0.37 0.20 1.25 2.80 0.00 0.00 179.97 184.55 3hj1 h HIS 284 N 0.57 0.38 -0.08 2.20 2.76 -0.16 -2.36 115.15 118.46 3hj1 h HIS 284 Ca 0.18 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.33 3hj1 h HIS 284 Cb -0.02 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 3hj1 h HIS 284 CO -0.06 0.19 -0.08 -0.07 -1.30 0.00 0.00 177.93 176.61 3hj1 h LEU 285 N 0.41 0.11 -0.22 0.26 3.38 -0.14 -0.12 115.31 118.99 3hj1 h LEU 285 Ca 0.18 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3hj1 h LEU 285 Cb 0.09 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hj1 h LEU 285 CO -0.13 0.21 -0.01 -0.33 0.09 0.00 0.00 178.44 178.28 3hj1 h GLU 286 N 0.12 0.40 -0.49 1.13 5.08 -0.89 0.25 114.58 120.17 3hj1 h GLU 286 Ca 0.03 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3hj1 h GLU 286 Cb 0.23 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3hj1 h GLU 286 CO 0.01 0.59 0.23 -0.07 -1.00 0.00 0.00 179.01 178.77 3hj1 h LEU 287 N 0.16 0.65 -0.54 1.33 3.38 -1.06 -1.85 115.31 117.38 3hj1 h LEU 287 Ca 0.06 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3hj1 h LEU 287 Cb 0.41 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3hj1 h LEU 287 CO 0.01 0.60 0.18 0.25 0.09 0.00 0.00 178.44 179.57 3hj1 h LEU 288 N 0.65 0.79 -0.70 1.67 5.85 -0.99 -2.55 115.31 120.02 3hj1 h LEU 288 Ca 0.17 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 3hj1 h LEU 288 Cb 0.13 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3hj1 h LEU 288 CO -0.02 0.78 0.15 1.23 -0.34 0.00 0.00 178.44 180.24 3hj1 h GLY 289 N 0.75 1.22 0.88 3.75 0.00 -0.80 0.66 103.07 109.54 3hj1 h GLY 289 Ca 0.18 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.72 3hj1 h GLY 289 CO -0.01 0.72 0.07 1.76 0.00 0.00 0.00 176.54 179.08 3hj1 h SER 290 N 1.07 0.22 -0.38 0.19 0.02 -1.18 -1.23 113.55 112.26 3hj1 h SER 290 Ca 0.22 -0.16 -0.13 0.00 -0.84 0.00 0.00 61.79 60.88 3hj1 h SER 290 Cb 0.40 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3hj1 h SER 290 CO 0.01 0.32 -0.26 -0.09 -1.14 0.00 0.00 176.83 175.67 3hj1 h ARG 291 N 0.11 0.84 0.20 3.45 9.65 -1.36 -2.04 114.38 125.24 3hj1 h ARG 291 Ca 0.05 -0.40 0.01 0.00 -1.10 0.00 0.00 59.98 58.54 3hj1 h ARG 291 Cb 0.17 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.70 3hj1 h ARG 291 CO -0.00 1.04 -0.38 -0.22 2.80 0.00 0.00 179.97 183.20 3hj1 h LYS 292 N 0.65 -0.64 -0.62 0.20 3.64 -0.79 -0.71 116.57 118.30 3hj1 h LYS 292 Ca 0.08 0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.57 3hj1 h LYS 292 Cb 0.83 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.73 3hj1 h LYS 292 CO 0.07 -0.43 0.30 -0.09 -2.27 0.00 0.00 179.45 177.03 3hj1 h ARG 293 N -0.67 0.52 -0.30 1.90 2.43 -1.18 0.47 114.38 117.55 3hj1 h ARG 293 Ca 0.01 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3hj1 h ARG 293 Cb 0.66 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.04 3hj1 h ARG 293 CO -0.17 0.35 -0.02 1.25 -1.51 0.00 0.00 179.97 179.87 3hj1 h LEU 294 N 0.54 -0.16 -0.87 3.80 6.46 -1.07 -1.00 115.31 123.01 3hj1 h LEU 294 Ca 0.29 0.07 -0.05 0.00 -0.12 0.00 0.00 57.88 58.07 3hj1 h LEU 294 Cb 0.27 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 3hj1 h LEU 294 CO -0.23 -0.04 0.22 -0.33 -0.62 0.00 0.00 178.44 177.44 3hj1 h GLU 295 N 0.07 1.06 -0.55 1.25 4.39 -0.38 -1.83 114.58 118.59 3hj1 h GLU 295 Ca 0.15 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.66 3hj1 h GLU 295 Cb 0.20 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 3hj1 h GLU 295 CO -0.26 0.90 0.33 -1.49 -1.16 0.00 0.00 179.01 177.33 3hj1 h TRP 296 N 1.02 0.61 -0.72 4.33 4.06 -0.43 -0.71 115.95 124.11 3hj1 h TRP 296 Ca 0.23 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.22 3hj1 h TRP 296 Cb 0.28 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.20 3hj1 h TRP 296 CO 0.02 0.34 0.46 0.93 -3.56 0.00 0.00 178.44 176.64 3hj1 h GLU 297 N 0.64 0.89 -0.79 0.49 4.39 -1.02 -1.83 114.58 117.35 3hj1 h GLU 297 Ca 0.22 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.84 3hj1 h GLU 297 Cb 0.04 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 28.45 3hj1 h GLU 297 CO -0.11 0.59 0.38 0.87 -1.16 0.00 0.00 179.01 179.58 3hj1 h LYS 298 N 0.92 1.14 -0.26 2.33 1.57 -0.90 -0.01 116.57 121.36 3hj1 h LYS 298 Ca 0.28 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3hj1 h LYS 298 Cb -0.03 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 3hj1 h LYS 298 CO -0.09 0.89 0.15 1.25 -0.57 0.00 0.00 179.45 181.07 3hj1 h HIS 299 N 1.12 0.35 -0.53 -1.35 2.76 -0.93 -2.89 115.15 113.69 3hj1 h HIS 299 Ca 0.27 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.37 3hj1 h HIS 299 Cb 0.12 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 3hj1 h HIS 299 CO 0.01 0.29 0.05 0.82 -1.30 0.00 0.00 177.93 177.81 3hj1 h ILE 300 N 0.31 1.24 -0.52 6.26 2.04 -0.92 0.90 117.51 126.84 3hj1 h ILE 300 Ca 0.09 -0.96 0.01 0.00 1.00 0.00 0.00 64.86 65.01 3hj1 h ILE 300 Cb 0.05 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3hj1 h ILE 300 CO -0.02 0.35 0.34 0.00 0.00 0.00 0.00 178.15 178.82 3hj1 h ALA 301 N 1.25 1.67 0.00 1.87 0.00 -0.94 -1.74 119.26 121.38 3hj1 h ALA 301 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3hj1 h ALA 301 Cb 0.40 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hj1 h ALA 301 CO 0.01 0.29 -0.63 0.39 0.00 0.00 0.00 179.25 179.32 3hj1 n GLU 302 N -4.46 0.19 -3.17 0.00 1.02 -0.62 -4.46 120.64 109.13 3hj1 n GLU 302 Ca 0.05 0.05 -0.22 0.00 -0.02 0.00 0.00 57.16 57.01 3hj1 n GLU 302 Cb 0.08 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 29.83 3hj1 n GLU 302 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hj1 n HIS 303 N -1.88 -0.97 0.20 -0.32 8.25 0.22 -5.01 115.22 115.71 3hj1 n HIS 303 Ca 0.04 -3.22 0.10 0.00 -0.26 0.00 0.00 57.72 54.39 3hj1 n HIS 303 Cb 0.40 0.08 0.65 0.00 1.12 0.00 0.00 29.99 32.24 3hj1 n HIS 303 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3hj1 h LYS 304 N 4.43 0.01 0.00 -0.41 1.57 -1.61 -0.13 116.57 120.42 3hj1 h LYS 304 Ca 0.09 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3hj1 h LYS 304 Cb 0.91 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3hj1 h LYS 304 CO 0.41 0.01 0.00 -0.85 -0.57 0.00 0.00 179.45 178.44 3hj1 n GLU 305 N -4.51 0.18 0.00 3.15 0.00 -1.26 -0.37 120.64 117.84 3hj1 n GLU 305 Ca -0.00 0.40 0.15 0.00 0.00 0.00 0.00 57.16 57.71 3hj1 n GLU 305 Cb 0.20 -1.84 0.66 0.00 0.00 0.00 0.00 31.44 30.45 3hj1 n GLU 305 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3hj1 n ASP 306 N -2.19 0.86 -4.78 -1.84 8.00 -0.06 -4.93 116.55 111.60 3hj1 n ASP 306 Ca 0.02 -1.17 -0.22 0.00 0.71 0.00 0.00 54.79 54.13 3hj1 n ASP 306 Cb 0.23 -0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.42 3hj1 n ASP 306 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hj1 s GLY 307 N -2.10 1.74 0.90 0.44 0.00 0.50 -4.77 107.32 104.03 3hj1 s GLY 307 Ca 0.39 -1.95 -0.13 0.00 0.00 0.00 0.00 44.72 43.02 3hj1 s GLY 307 CO 0.38 -1.39 1.19 2.56 0.00 0.00 0.00 173.10 175.84 3hj1 s PRO 308 N -5.00 1.21 0.15 2.90 0.04 -1.26 -5.03 135.00 128.00 3hj1 s PRO 308 Ca 0.66 0.05 -0.34 0.00 0.04 0.00 0.00 61.00 61.40 3hj1 s PRO 308 Cb -0.05 -1.87 -0.15 0.00 0.04 0.00 0.00 34.50 32.48 3hj1 s PRO 308 CO 0.43 -2.11 1.51 -0.11 0.04 0.00 0.00 177.00 176.77 3hj1 n LEU 309 N -3.66 2.74 -4.47 -3.56 0.00 -1.26 -4.90 117.00 101.89 3hj1 n LEU 309 Ca 0.09 1.09 -0.43 0.00 0.00 0.00 0.00 56.01 56.76 3hj1 n LEU 309 Cb 0.60 -1.37 -0.06 0.00 0.00 0.00 0.00 43.42 42.59 3hj1 n LEU 309 CO 0.54 -0.48 0.47 -0.62 0.00 0.00 0.00 177.39 177.29 3hj1 s ASP 310 N 0.78 6.25 0.30 1.96 -1.08 -1.26 -4.94 116.67 118.68 3hj1 s ASP 310 Ca 0.80 -0.77 -0.02 0.00 -0.52 0.00 0.00 52.55 52.04 3hj1 s ASP 310 Cb -0.74 -2.34 0.45 0.00 -1.46 0.00 0.00 42.92 38.83 3hj1 s ASP 310 CO 0.40 -1.01 1.95 -0.33 0.52 0.00 0.00 175.17 176.71 3hj1 h GLU 311 N 9.10 1.03 -0.23 4.34 4.39 -1.99 0.03 114.58 131.25 3hj1 h GLU 311 Ca -0.27 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.34 3hj1 h GLU 311 Cb 1.09 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 3hj1 h GLU 311 CO 1.01 0.71 0.13 -0.91 -1.16 0.00 0.00 179.01 178.80 3hj1 h ASN 312 N 1.06 0.28 -0.68 1.42 2.35 -1.99 -0.06 115.58 117.95 3hj1 h ASN 312 Ca 0.28 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.89 3hj1 h ASN 312 Cb -0.06 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 3hj1 h ASN 312 CO -0.05 0.27 0.16 -0.78 -1.65 0.00 0.00 177.43 175.37 3hj1 h ASP 313 N 0.28 1.05 -0.45 5.81 3.58 -1.86 -1.28 116.42 123.54 3hj1 h ASP 313 Ca 0.08 -0.24 -0.04 0.00 0.42 0.00 0.00 57.03 57.25 3hj1 h ASP 313 Cb 0.04 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.79 3hj1 h ASP 313 CO -0.01 1.02 0.13 0.15 -2.88 0.00 0.00 179.24 177.64 3hj1 h PHE 314 N 1.03 0.74 -0.59 0.28 3.57 -0.81 -0.86 116.94 120.30 3hj1 h PHE 314 Ca 0.21 -0.08 0.09 0.00 3.53 0.00 0.00 57.97 61.72 3hj1 h PHE 314 Cb 0.38 -0.21 -0.07 0.00 2.79 0.00 0.00 35.95 38.84 3hj1 h PHE 314 CO 0.03 0.67 0.22 1.03 -2.23 0.00 0.00 178.31 178.03 3hj1 h SER 315 N 0.59 0.23 -0.61 0.41 0.87 -0.91 -1.58 113.55 112.55 3hj1 h SER 315 Ca 0.14 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 3hj1 h SER 315 Cb 0.29 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 3hj1 h SER 315 CO -0.00 0.14 0.25 0.00 -0.53 0.00 0.00 176.83 176.69 3hj1 h ALA 316 N 1.40 1.23 -0.53 6.23 0.00 -0.77 -0.59 119.26 126.24 3hj1 h ALA 316 Ca 0.29 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3hj1 h ALA 316 Cb 0.35 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3hj1 h ALA 316 CO -0.29 0.56 0.03 1.03 0.00 0.00 0.00 179.25 180.59 3hj1 h SER 317 N 0.93 0.89 -0.08 0.00 0.87 -0.72 -1.59 113.55 113.85 3hj1 h SER 317 Ca 0.22 -0.29 -0.12 0.00 -1.23 0.00 0.00 61.79 60.37 3hj1 h SER 317 Cb 0.19 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3hj1 h SER 317 CO -0.02 0.96 -0.34 0.24 -0.53 0.00 0.00 176.83 177.14 3hj1 h MET 318 N 0.79 0.56 -0.71 2.24 2.86 -0.98 -2.22 114.93 117.48 3hj1 h MET 318 Ca 0.15 -0.26 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3hj1 h MET 318 Cb 0.48 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.10 3hj1 h MET 318 CO 0.02 0.83 0.46 0.37 1.06 0.00 0.00 176.91 179.65 3hj1 h GLN 319 N 0.48 0.93 -0.35 1.72 5.75 -0.89 -1.44 115.11 121.33 3hj1 h GLN 319 Ca 0.05 -0.06 -0.08 0.00 -0.15 0.00 0.00 58.65 58.42 3hj1 h GLN 319 Cb 0.81 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 3hj1 h GLN 319 CO 0.07 0.62 -0.09 -0.97 -2.65 0.00 0.00 178.83 175.81 3hj1 h ASN 320 N 0.96 0.68 -0.96 -0.69 -0.73 -0.95 0.45 115.58 114.34 3hj1 h ASN 320 Ca 0.26 -0.37 0.10 0.00 1.87 0.00 0.00 56.30 58.16 3hj1 h ASN 320 Cb -0.10 -0.19 -0.07 0.00 0.27 0.00 0.00 38.32 38.23 3hj1 h ASN 320 CO -0.05 0.89 0.61 -0.33 -0.37 0.00 0.00 177.43 178.18 3hj1 h GLU 321 N 0.46 0.97 -0.18 6.67 4.39 -1.09 -2.31 114.58 123.47 3hj1 h GLU 321 Ca 0.09 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 3hj1 h GLU 321 Cb 0.60 -0.22 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3hj1 h GLU 321 CO 0.04 0.64 -0.21 1.15 -1.16 0.00 0.00 179.01 179.47 3hj1 h THR 322 N 1.00 1.34 0.00 1.13 2.02 -0.94 -3.17 112.91 114.28 3hj1 h THR 322 Ca 0.45 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 66.24 3hj1 h THR 322 Cb 0.37 1.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 3hj1 h THR 322 CO -0.20 0.42 0.00 0.35 0.37 0.00 0.00 175.52 176.46 3hj1 n THR 323 N -4.45 0.59 0.79 3.16 -2.24 0.12 -1.08 114.28 111.17 3hj1 n THR 323 Ca -0.06 0.12 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 3hj1 n THR 323 Cb 0.41 -0.80 0.44 0.00 -2.10 0.00 0.00 70.33 68.27 3hj1 n THR 323 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hj1 n GLN 324 N -1.62 0.15 -2.58 -0.78 6.02 -0.89 -4.38 117.38 113.30 3hj1 n GLN 324 Ca 0.05 0.10 -0.14 0.00 -0.01 0.00 0.00 57.00 57.00 3hj1 n GLN 324 Cb 0.25 -1.65 0.02 0.00 1.02 0.00 0.00 30.24 29.89 3hj1 n GLN 324 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hj1 n ARG 325 N -1.90 2.12 -2.57 -1.09 1.74 -0.24 -1.17 116.66 113.54 3hj1 n ARG 325 Ca 0.06 -3.73 -0.36 0.00 -0.77 0.00 0.00 57.85 53.04 3hj1 n ARG 325 Cb 0.39 -1.68 -0.04 0.00 -1.02 0.00 0.00 32.46 30.10 3hj1 n ARG 325 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3hj1 s PRO 326 N -3.41 4.22 0.00 5.56 0.04 -1.23 -4.85 135.00 135.33 3hj1 s PRO 326 Ca 0.35 1.49 0.19 0.00 0.04 0.00 0.00 61.00 63.07 3hj1 s PRO 326 Cb 0.41 -2.57 0.32 0.00 0.04 0.00 0.00 34.50 32.71 3hj1 s PRO 326 CO -0.04 -0.09 1.26 -1.13 0.04 0.00 0.00 177.00 177.04 3hj1 n SER 327 N -0.01 3.06 -0.26 6.66 3.41 -1.26 -4.48 113.62 120.74 3hj1 n SER 327 Ca 0.05 -1.89 0.02 0.00 -0.26 0.00 0.00 58.87 56.79 3hj1 n SER 327 Cb 0.50 -0.18 0.06 0.00 -0.26 0.00 0.00 64.21 64.32 3hj1 n SER 327 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hj1 n ASN 328 N 1.16 2.30 -4.78 4.04 6.94 -1.26 -4.86 115.26 118.80 3hj1 n ASN 328 Ca 0.15 -1.93 -0.30 0.00 -0.02 0.00 0.00 54.58 52.48 3hj1 n ASN 328 Cb 0.51 -0.09 0.10 0.00 -2.36 0.00 0.00 39.78 37.94 3hj1 n ASN 328 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3hj1 s SER 329 N -0.94 4.35 0.22 0.53 1.04 -1.26 -4.96 113.70 112.68 3hj1 s SER 329 Ca 0.09 1.43 -0.13 0.00 0.48 0.00 0.00 55.95 57.82 3hj1 s SER 329 Cb 0.05 -2.16 0.27 0.00 0.10 0.00 0.00 66.02 64.27 3hj1 s SER 329 CO 0.07 -2.08 1.62 -0.65 0.98 0.00 0.00 173.24 173.18 3hj1 h PRO 330 N -1.16 -0.00 -6.73 4.02 0.11 -1.89 -3.40 132.00 122.95 3hj1 h PRO 330 Ca -0.47 0.00 -0.69 0.00 0.11 0.00 0.00 66.00 64.95 3hj1 h PRO 330 Cb 1.26 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 32.11 3hj1 h PRO 330 CO 0.57 -0.00 -0.88 0.71 -0.21 0.00 0.00 178.00 178.19 3hj1 s TYR 331 N -6.23 2.30 -0.25 0.65 2.02 -1.26 -4.89 117.35 109.68 3hj1 s TYR 331 Ca -0.14 -0.41 0.03 0.00 -0.37 0.00 0.00 57.07 56.17 3hj1 s TYR 331 Cb 0.20 -1.36 0.06 0.00 -0.40 0.00 0.00 41.96 40.46 3hj1 s TYR 331 CO 0.74 0.15 -0.10 0.08 -1.57 0.00 0.00 175.55 174.84 3hj1 s VAL 332 N -0.83 2.08 -0.19 0.71 1.01 -1.26 -4.26 120.40 117.66 3hj1 s VAL 332 Ca 0.12 -1.57 0.01 0.00 0.00 0.00 0.00 61.98 60.54 3hj1 s VAL 332 Cb -0.10 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.11 3hj1 s VAL 332 CO 0.02 -0.03 -0.16 -0.69 0.00 0.00 0.00 175.10 174.25 3hj1 s VAL 333 N 1.14 1.92 -0.23 2.92 1.01 -1.26 -1.14 120.40 124.75 3hj1 s VAL 333 Ca -0.08 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.70 3hj1 s VAL 333 Cb -0.20 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 3hj1 s VAL 333 CO -0.05 0.38 0.61 -0.70 0.00 0.00 0.00 175.10 175.34 3hj1 s GLU 334 N 1.32 4.14 -0.20 2.72 2.12 -0.05 -0.35 118.70 128.41 3hj1 s GLU 334 Ca 0.02 0.54 -0.29 0.00 0.36 0.00 0.00 54.97 55.60 3hj1 s GLU 334 Cb -0.14 -3.62 -0.00 0.00 0.26 0.00 0.00 34.13 30.62 3hj1 s GLU 334 CO -0.11 -0.33 1.20 0.34 -0.54 0.00 0.00 175.26 175.82 3hj1 s ASP 335 N 1.37 6.97 0.06 -1.70 -1.08 -0.34 -4.64 116.67 117.30 3hj1 s ASP 335 Ca 0.26 1.54 0.18 0.00 -0.52 0.00 0.00 52.55 54.02 3hj1 s ASP 335 Cb -0.16 -2.54 0.77 0.00 -1.46 0.00 0.00 42.92 39.53 3hj1 s ASP 335 CO 0.09 -0.76 1.58 2.22 0.52 0.00 0.00 175.17 178.81 3hj1 n PHE 336 N 6.62 0.19 0.86 -5.34 -1.74 -1.26 -0.43 117.46 116.36 3hj1 n PHE 336 Ca 0.13 0.07 0.11 0.00 -0.56 0.00 0.00 57.45 57.20 3hj1 n PHE 336 Cb 0.45 -0.62 0.02 0.00 1.52 0.00 0.00 39.48 40.86 3hj1 n PHE 336 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 3hj1 n VAL 337 N -1.67 0.04 -1.71 1.97 0.24 -1.26 -1.32 118.33 114.62 3hj1 n VAL 337 Ca 0.04 -0.08 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 3hj1 n VAL 337 Cb 0.21 0.56 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 3hj1 n VAL 337 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 3hj1 n ASN 338 N -1.64 0.00 -0.88 -1.34 0.23 -1.14 -4.73 115.26 105.76 3hj1 n ASN 338 Ca 0.04 -1.00 -0.11 0.00 -0.53 0.00 0.00 54.58 52.97 3hj1 n ASN 338 Cb 0.37 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.02 3hj1 n ASN 338 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3hj1 n TYR 339 N 0.00 0.00 -2.01 -2.53 4.01 0.43 -4.97 117.16 112.09 3hj1 n TYR 339 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.33 3hj1 n TYR 339 Cb 0.29 -2.62 -0.01 0.00 -0.31 0.00 0.00 39.34 36.68 3hj1 n TYR 339 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3hj1 s VAL 340 N -2.08 2.49 -0.73 -0.72 1.01 -1.25 -4.72 120.40 114.40 3hj1 s VAL 340 Ca 0.00 0.49 -0.24 0.00 0.00 0.00 0.00 61.98 62.24 3hj1 s VAL 340 Cb 0.00 -3.31 0.06 0.00 0.00 0.00 0.00 36.38 33.13 3hj1 s VAL 340 CO 0.00 0.11 1.11 0.21 0.00 0.00 0.00 175.10 176.54 3hj1 s ASN 341 N -0.41 6.23 0.41 3.32 2.47 -0.32 -1.20 114.94 125.44 3hj1 s ASN 341 Ca 0.51 -0.93 0.29 0.00 0.42 0.00 0.00 52.86 53.15 3hj1 s ASN 341 Cb -0.42 -2.47 1.26 0.00 -1.45 0.00 0.00 41.25 38.16 3hj1 s ASN 341 CO 0.56 -1.55 1.86 0.00 -3.72 0.00 0.00 177.10 174.25 3hj1 n GLY 343 N -0.17 1.02 0.23 0.00 0.00 -1.24 -4.63 105.19 100.39 3hj1 n GLY 343 Ca 0.01 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.50 3hj1 n GLY 343 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3hj1 h ARG 344 N 3.56 0.00 0.00 1.61 0.11 -1.63 -2.77 114.38 115.26 3hj1 h ARG 344 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3hj1 h ARG 344 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 3hj1 h ARG 344 CO 0.00 0.21 0.00 0.54 0.10 0.00 0.00 179.97 180.82 3hj1 n ARG 345 N -3.98 0.17 -1.99 0.08 1.74 -1.26 -4.78 116.66 106.64 3hj1 n ARG 345 Ca -0.02 0.24 -0.42 0.00 -0.77 0.00 0.00 57.85 56.87 3hj1 n ARG 345 Cb 0.29 -1.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 3hj1 n ARG 345 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hj1 s VAL 346 N -3.13 3.55 0.42 1.55 1.01 -1.04 -4.88 120.40 117.88 3hj1 s VAL 346 Ca 0.09 0.67 -0.22 0.00 0.00 0.00 0.00 61.98 62.52 3hj1 s VAL 346 Cb 0.12 -3.44 -0.11 0.00 0.00 0.00 0.00 36.38 32.96 3hj1 s VAL 346 CO 0.50 -0.07 0.96 -1.10 0.00 0.00 0.00 175.10 175.39 3hj1 s GLN 347 N 4.13 4.23 0.39 2.72 -1.52 -1.19 -4.48 119.66 123.94 3hj1 s GLN 347 Ca 0.74 1.19 0.16 0.00 -1.95 0.00 0.00 55.36 55.50 3hj1 s GLN 347 Cb -0.33 -2.26 1.03 0.00 -0.22 0.00 0.00 33.01 31.22 3hj1 s GLN 347 CO 0.30 -0.03 1.82 0.00 -0.25 0.00 0.00 175.29 177.12 3hj1 h ALA 348 N 2.06 2.12 0.00 6.09 0.00 -1.94 0.15 119.26 127.73 3hj1 h ALA 348 Ca -0.49 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3hj1 h ALA 348 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3hj1 h ALA 348 CO 0.61 -0.46 0.00 -1.13 0.00 0.00 0.00 179.25 178.28 3hj1 n SER 349 N -4.59 0.17 0.01 0.00 3.41 -1.26 -2.55 113.62 108.81 3hj1 n SER 349 Ca 0.22 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 3hj1 n SER 349 Cb 0.73 -0.57 0.16 0.00 -0.26 0.00 0.00 64.21 64.27 3hj1 n SER 349 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hj1 n ARG 350 N -1.68 0.08 -0.14 4.33 5.12 0.04 -4.47 116.66 119.94 3hj1 n ARG 350 Ca 0.04 0.01 -0.08 0.00 -1.93 0.00 0.00 57.85 55.89 3hj1 n ARG 350 Cb 0.22 -1.54 0.01 0.00 -1.16 0.00 0.00 32.46 30.00 3hj1 n ARG 350 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3hj1 h VAL 351 N 0.00 1.11 -0.56 1.55 2.07 -1.54 -2.25 116.25 116.64 3hj1 h VAL 351 Ca 0.00 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.43 3hj1 h VAL 351 Cb 0.57 0.46 -0.11 0.00 -1.52 0.00 0.00 31.29 30.69 3hj1 h VAL 351 CO 0.00 0.11 -0.18 -0.09 0.02 0.00 0.00 177.57 177.43 3hj1 h ARG 352 N 0.59 -0.04 -0.20 1.57 2.43 -1.80 0.23 114.38 117.16 3hj1 h ARG 352 Ca 0.16 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 3hj1 h ARG 352 Cb -0.06 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3hj1 h ARG 352 CO -0.04 -0.03 0.05 1.25 -1.51 0.00 0.00 179.97 179.70 3hj1 h HIS 353 N -0.04 0.34 0.17 2.20 2.76 -1.71 0.14 115.15 119.01 3hj1 h HIS 353 Ca 0.26 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3hj1 h HIS 353 Cb 0.45 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 3hj1 h HIS 353 CO -0.49 0.43 -0.11 0.82 -1.30 0.00 0.00 177.93 177.28 3hj1 h ILE 354 N 0.15 0.77 -0.92 6.26 2.04 -0.79 -0.91 117.51 124.11 3hj1 h ILE 354 Ca 0.06 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.93 3hj1 h ILE 354 Cb 0.26 0.77 -0.05 0.00 -0.74 0.00 0.00 36.82 37.07 3hj1 h ILE 354 CO 0.00 0.00 0.61 1.56 0.00 0.00 0.00 178.15 180.32 3hj1 h GLN 355 N -0.27 1.21 -0.55 2.37 1.08 -0.46 -1.47 115.11 117.02 3hj1 h GLN 355 Ca -0.01 -0.07 -0.11 0.00 -1.45 0.00 0.00 58.65 57.00 3hj1 h GLN 355 Cb 0.23 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 27.37 3hj1 h GLN 355 CO 0.01 0.80 -0.10 0.37 -0.95 0.00 0.00 178.83 178.97 3hj1 h GLN 356 N 1.25 1.04 -0.48 1.46 5.75 -0.50 -0.66 115.11 122.96 3hj1 h GLN 356 Ca 0.34 -0.38 -0.10 0.00 -0.15 0.00 0.00 58.65 58.35 3hj1 h GLN 356 Cb -0.14 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.32 3hj1 h GLN 356 CO -0.07 1.07 -0.10 0.93 -2.65 0.00 0.00 178.83 178.01 3hj1 h GLU 357 N 0.92 0.88 -0.60 1.69 4.39 -0.75 0.48 114.58 121.60 3hj1 h GLU 357 Ca 0.14 -0.30 -0.09 0.00 0.34 0.00 0.00 59.36 59.45 3hj1 h GLU 357 Cb 0.67 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 3hj1 h GLU 357 CO 0.05 0.94 0.02 0.74 -1.16 0.00 0.00 179.01 179.60 3hj1 h PHE 358 N 0.80 1.12 -0.29 4.33 0.04 -1.16 -0.72 116.94 121.05 3hj1 h PHE 358 Ca 0.13 -0.18 0.04 0.00 2.80 0.00 0.00 57.97 60.76 3hj1 h PHE 358 Cb 0.62 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 3hj1 h PHE 358 CO 0.04 0.98 0.07 -0.91 -0.60 0.00 0.00 178.31 177.88 3hj1 h ASN 359 N 0.95 0.04 -0.34 2.17 2.35 -0.73 -0.39 115.58 119.63 3hj1 h ASN 359 Ca 0.17 0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 3hj1 h ASN 359 Cb 0.52 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 3hj1 h ASN 359 CO 0.03 0.06 0.13 -0.09 -1.65 0.00 0.00 177.43 175.90 3hj1 h ARG 360 N 0.18 0.51 0.19 0.81 2.43 -0.74 -0.36 114.38 117.40 3hj1 h ARG 360 Ca 0.13 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3hj1 h ARG 360 Cb 0.13 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 3hj1 h ARG 360 CO -0.17 0.52 -0.09 1.25 -1.51 0.00 0.00 179.97 179.97 3hj1 h LEU 361 N 0.39 -0.22 -0.56 3.80 5.85 -0.95 -0.61 115.31 123.01 3hj1 h LEU 361 Ca 0.11 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.94 3hj1 h LEU 361 Cb 0.21 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.20 3hj1 h LEU 361 CO -0.01 -0.14 0.03 -0.09 -0.34 0.00 0.00 178.44 177.89 3hj1 h ARG 362 N -0.27 0.15 -0.40 1.25 2.43 -0.97 -0.45 114.38 116.11 3hj1 h ARG 362 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3hj1 h ARG 362 Cb 0.21 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3hj1 h ARG 362 CO 0.04 0.10 0.26 1.49 -1.51 0.00 0.00 179.97 180.35 3hj1 h GLU 363 N 0.15 0.53 -0.32 0.20 4.81 -0.73 -0.95 114.58 118.27 3hj1 h GLU 363 Ca 0.29 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3hj1 h GLU 363 Cb 0.45 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3hj1 h GLU 363 CO -0.45 0.36 -0.17 0.52 -0.73 0.00 0.00 179.01 178.54 3hj1 h MET 364 N 0.54 0.69 0.00 1.92 2.86 -0.76 0.22 114.93 120.39 3hj1 h MET 364 Ca 0.15 -0.31 -0.11 0.00 -2.06 0.00 0.00 59.70 57.36 3hj1 h MET 364 Cb -0.05 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3hj1 h MET 364 CO -0.03 0.91 -0.54 -0.07 1.06 0.00 0.00 176.91 178.23 3hj1 h LEU 365 N 0.45 0.00 0.00 1.22 3.38 -1.00 -3.20 115.31 116.16 3hj1 h LEU 365 Ca 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hj1 h LEU 365 Cb 0.71 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.46 3hj1 h LEU 365 CO 0.05 0.54 -0.44 -0.38 0.09 0.00 0.00 178.44 178.30 3hj1 n ILE 366 N -3.36 1.25 -0.00 1.22 5.41 -0.37 -4.58 119.36 118.93 3hj1 n ILE 366 Ca 0.01 0.28 -0.17 0.00 1.00 0.00 0.00 62.75 63.87 3hj1 n ILE 366 Cb 0.69 -1.82 -0.07 0.00 -0.71 0.00 0.00 39.64 37.73 3hj1 n ILE 366 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3hj1 h ASP 367 N -0.33 0.88 -0.58 4.38 5.19 -1.20 -3.33 116.42 121.44 3hj1 h ASP 367 Ca -0.02 -0.61 -0.38 0.00 -0.62 0.00 0.00 57.03 55.40 3hj1 h ASP 367 Cb 0.41 -0.26 -0.24 0.00 0.18 0.00 0.00 39.33 39.42 3hj1 h ASP 367 CO -0.01 1.40 -0.21 0.29 -3.12 0.00 0.00 179.24 177.59 3hj1 n LYS 368 N -3.90 2.58 -0.32 3.56 4.76 0.61 -4.77 118.16 120.67 3hj1 n LYS 368 Ca -0.08 -3.56 0.16 0.00 -2.87 0.00 0.00 58.31 51.96 3hj1 n LYS 368 Cb 0.77 -2.04 0.39 0.00 -1.84 0.00 0.00 35.03 32.31 3hj1 n LYS 368 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3hj1 h GLU 369 N 1.57 0.61 0.00 1.97 4.81 -1.66 0.12 114.58 122.01 3hj1 h GLU 369 Ca 0.33 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3hj1 h GLU 369 Cb 1.45 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.69 3hj1 h GLU 369 CO 0.69 0.41 0.00 0.77 -0.73 0.00 0.00 179.01 180.15 3hj1 h SER 370 N 0.63 0.00 -0.46 1.04 0.02 -1.89 -2.64 113.55 110.25 3hj1 h SER 370 Ca 0.55 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 3hj1 h SER 370 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 3hj1 h SER 370 CO -0.31 0.00 0.00 -0.62 -1.14 0.00 0.00 176.83 174.76 3hj1 n GLU 371 N -2.74 2.51 -1.68 3.45 1.02 0.42 -4.61 120.64 119.02 3hj1 n GLU 371 Ca 0.00 -2.27 -0.45 0.00 -0.02 0.00 0.00 57.16 54.42 3hj1 n GLU 371 Cb 0.21 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 3hj1 n GLU 371 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3hj1 n LEU 372 N 1.24 3.22 -3.60 -4.62 4.77 -0.99 -4.99 117.00 112.03 3hj1 n LEU 372 Ca 0.18 1.11 -0.22 0.00 -0.03 0.00 0.00 56.01 57.05 3hj1 n LEU 372 Cb 0.54 -1.45 -0.16 0.00 -2.33 0.00 0.00 43.42 40.03 3hj1 n LEU 372 CO 0.13 -0.31 -0.29 -0.54 -1.33 0.00 0.00 177.39 175.06 3hj1 s LYS 373 N 0.35 0.07 0.24 3.23 1.02 -1.26 -4.80 119.74 118.59 3hj1 s LYS 373 Ca 0.74 0.17 -0.09 0.00 0.02 0.00 0.00 55.97 56.80 3hj1 s LYS 373 Cb -0.65 -1.22 0.38 0.00 -0.52 0.00 0.00 37.83 35.82 3hj1 s LYS 373 CO 0.43 -0.55 1.63 0.35 -0.92 0.00 0.00 175.35 176.28 3hj1 h PHE 374 N 8.39 -0.18 0.00 3.18 3.57 -1.93 0.21 116.94 130.19 3hj1 h PHE 374 Ca -0.15 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.41 3hj1 h PHE 374 Cb 1.14 0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.08 3hj1 h PHE 374 CO 0.24 -0.27 0.00 -0.25 -2.23 0.00 0.00 178.31 175.81 3hj1 n ASP 375 N -5.40 0.32 -0.09 0.41 8.00 -1.26 -1.62 116.55 116.91 3hj1 n ASP 375 Ca 0.12 0.61 -0.23 0.00 0.71 0.00 0.00 54.79 56.00 3hj1 n ASP 375 Cb 0.43 -0.67 -0.12 0.00 -0.02 0.00 0.00 41.12 40.75 3hj1 n ASP 375 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3hj1 n GLU 376 N -1.89 0.63 -0.14 -1.24 4.07 0.66 -3.11 120.64 119.62 3hj1 n GLU 376 Ca 0.01 0.39 -0.07 0.00 -0.06 0.00 0.00 57.16 57.43 3hj1 n GLU 376 Cb 0.11 -1.66 0.01 0.00 -0.06 0.00 0.00 31.44 29.84 3hj1 n GLU 376 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 3hj1 h VAL 377 N -0.62 1.09 -0.48 6.31 2.07 -1.04 -2.57 116.25 121.01 3hj1 h VAL 377 Ca -0.46 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3hj1 h VAL 377 Cb 1.62 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 3hj1 h VAL 377 CO -0.16 0.10 0.00 0.49 0.02 0.00 0.00 177.57 178.02 3hj1 n PHE 378 N -4.80 1.73 -1.68 1.57 3.01 -0.64 -4.96 117.46 111.68 3hj1 n PHE 378 Ca 0.01 -0.60 -0.45 0.00 1.01 0.00 0.00 57.45 57.42 3hj1 n PHE 378 Cb 0.03 -0.44 -0.04 0.00 -0.01 0.00 0.00 39.48 39.03 3hj1 n PHE 378 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3hj1 n ARG 379 N 0.54 2.35 -1.84 -1.08 0.63 -0.97 -4.86 116.66 111.43 3hj1 n ARG 379 Ca 0.23 0.85 -0.42 0.00 -0.92 0.00 0.00 57.85 57.59 3hj1 n ARG 379 Cb 1.04 -2.65 -0.03 0.00 0.45 0.00 0.00 32.46 31.27 3hj1 n ARG 379 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 3hj1 s GLU 380 N 1.42 4.17 0.35 -0.14 2.12 -1.26 -4.53 118.70 120.84 3hj1 s GLU 380 Ca 0.80 2.49 -0.29 0.00 0.36 0.00 0.00 54.97 58.33 3hj1 s GLU 380 Cb -0.62 -3.10 -0.11 0.00 0.26 0.00 0.00 34.13 30.56 3hj1 s GLU 380 CO 0.38 -0.65 1.51 0.45 -0.54 0.00 0.00 175.26 176.41 3hj1 s SER 381 N 0.98 6.36 0.00 -1.70 0.15 0.16 -5.00 113.70 114.65 3hj1 s SER 381 Ca 0.70 3.02 0.00 0.00 0.70 0.00 0.00 55.95 60.37 3hj1 s SER 381 Cb -0.47 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.18 3hj1 s SER 381 CO 0.35 -0.88 0.00 0.47 1.20 0.00 0.00 173.24 174.38