#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ce6 s THR 12 N 0.00 0.94 0.54 -5.08 -4.23 -1.26 -5.12 115.64 101.43 3ce6 s THR 12 Ca 0.00 -1.34 -0.22 0.00 -1.18 0.00 0.00 61.69 58.95 3ce6 s THR 12 Cb 0.00 -1.04 -0.05 0.00 1.34 0.00 0.00 72.50 72.75 3ce6 s THR 12 CO 0.00 -0.35 1.33 -2.84 -0.54 0.00 0.00 174.62 172.22 3ce6 s PRO 13 N -1.98 3.22 0.45 3.99 0.02 -1.26 -5.00 135.00 134.43 3ce6 s PRO 13 Ca -0.02 2.16 -0.21 0.00 0.02 0.00 0.00 61.00 62.95 3ce6 s PRO 13 Cb -0.08 -2.27 -0.10 0.00 0.02 0.00 0.00 34.50 32.07 3ce6 s PRO 13 CO 0.01 -1.11 0.99 -0.51 -0.33 0.00 0.00 177.00 176.06 3ce6 s ASP 14 N -1.03 6.69 -0.05 2.53 1.01 -0.18 -4.90 116.67 120.75 3ce6 s ASP 14 Ca 0.71 1.82 -0.00 0.00 0.71 0.00 0.00 52.55 55.78 3ce6 s ASP 14 Cb -0.39 -2.55 0.03 0.00 1.01 0.00 0.00 42.92 41.02 3ce6 s ASP 14 CO 0.46 -0.53 -0.01 -0.69 0.21 0.00 0.00 175.17 174.60 3ce6 s VAL 15 N -2.04 0.34 -0.09 -1.27 1.01 -1.26 -1.11 120.40 115.98 3ce6 s VAL 15 Ca 0.63 0.05 -0.06 0.00 0.00 0.00 0.00 61.98 62.60 3ce6 s VAL 15 Cb -0.13 -0.44 0.03 0.00 0.00 0.00 0.00 36.38 35.84 3ce6 s VAL 15 CO 0.17 0.21 0.22 -0.13 0.00 0.00 0.00 175.10 175.57 3ce6 s ARG 16 N 1.33 0.22 -1.35 2.72 0.52 0.02 -4.89 118.95 117.52 3ce6 s ARG 16 Ca -0.05 0.39 -0.13 0.00 -0.52 0.00 0.00 55.73 55.42 3ce6 s ARG 16 Cb -0.13 0.00 0.11 0.00 0.52 0.00 0.00 34.95 35.45 3ce6 s ARG 16 CO -0.02 -0.09 0.54 -1.71 0.02 0.00 0.00 175.30 174.03 3ce6 n ASN 17 N 3.54 -3.12 0.00 0.23 5.15 -1.26 -0.62 115.26 119.18 3ce6 n ASN 17 Ca -0.19 -0.57 0.00 0.00 -0.60 0.00 0.00 54.58 53.22 3ce6 n ASN 17 Cb 0.56 -2.61 0.00 0.00 -0.53 0.00 0.00 39.78 37.20 3ce6 n ASN 17 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ce6 n GLY 18 N -1.15 0.62 3.28 8.20 0.00 -1.26 -4.92 105.19 109.96 3ce6 n GLY 18 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3ce6 n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ce6 s ILE 19 N -2.26 2.43 -0.03 -0.61 1.01 0.21 -5.08 121.20 116.86 3ce6 s ILE 19 Ca 0.00 -0.89 -0.14 0.00 0.00 0.00 0.00 60.65 59.62 3ce6 s ILE 19 Cb 0.00 -1.96 -0.05 0.00 0.01 0.00 0.00 42.46 40.46 3ce6 s ILE 19 CO 0.00 0.55 0.36 1.51 0.00 0.00 0.00 174.94 177.36 3ce6 s ASP 20 N 0.26 6.72 0.17 3.58 -4.77 -1.26 -0.80 116.67 120.56 3ce6 s ASP 20 Ca -0.14 0.85 -0.24 0.00 -3.30 0.00 0.00 52.55 49.72 3ce6 s ASP 20 Cb -0.17 -2.22 0.06 0.00 -1.09 0.00 0.00 42.92 39.50 3ce6 s ASP 20 CO 0.07 0.31 0.81 0.72 0.70 0.00 0.00 175.17 177.78 3ce6 s PHE 21 N -0.90 -0.25 -0.21 2.11 -0.12 -0.27 -4.06 117.98 114.29 3ce6 s PHE 21 Ca 0.22 -0.06 -0.04 0.00 -0.05 0.00 0.00 56.93 57.00 3ce6 s PHE 21 Cb -0.16 0.63 0.10 0.00 -0.63 0.00 0.00 43.02 42.97 3ce6 s PHE 21 CO 0.11 -0.92 0.26 0.21 -0.05 0.00 0.00 175.22 174.83 3ce6 s LYS 22 N -3.54 0.22 0.20 1.99 2.47 0.46 -1.01 119.74 120.54 3ce6 s LYS 22 Ca 0.09 0.29 -0.01 0.00 -1.56 0.00 0.00 55.97 54.78 3ce6 s LYS 22 Cb -0.03 -1.02 -0.04 0.00 -1.46 0.00 0.00 37.83 35.28 3ce6 s LYS 22 CO -0.00 -0.64 0.12 0.96 0.16 0.00 0.00 175.35 175.95 3ce6 s ILE 23 N 2.38 0.05 0.04 5.43 -4.36 -1.26 -0.63 121.20 122.85 3ce6 s ILE 23 Ca 0.08 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.21 3ce6 s ILE 23 Cb -0.16 -2.50 -0.17 0.00 1.25 0.00 0.00 42.46 40.88 3ce6 s ILE 23 CO -0.13 -0.01 1.47 0.00 0.24 0.00 0.00 174.94 176.51 3ce6 h ALA 24 N 2.61 -0.35 -0.86 2.27 0.00 -1.90 -3.46 119.26 117.57 3ce6 h ALA 24 Ca -0.36 -0.14 0.09 0.00 0.00 0.00 0.00 54.91 54.50 3ce6 h ALA 24 Cb 1.25 0.14 -0.21 0.00 0.00 0.00 0.00 17.79 18.97 3ce6 h ALA 24 CO 0.54 -0.61 -0.25 0.34 0.00 0.00 0.00 179.25 179.27 3ce6 s ASP 25 N -5.03 -1.31 0.47 0.00 2.15 -1.26 -5.01 116.67 106.68 3ce6 s ASP 25 Ca -0.15 0.42 0.22 0.00 0.43 0.00 0.00 52.55 53.47 3ce6 s ASP 25 Cb 0.03 1.94 1.23 0.00 -0.30 0.00 0.00 42.92 45.83 3ce6 s ASP 25 CO 0.61 -0.24 1.93 -0.07 -0.17 0.00 0.00 175.17 177.22 3ce6 h LEU 26 N 7.92 0.21 -0.84 -1.34 3.38 -1.94 -1.47 115.31 121.23 3ce6 h LEU 26 Ca -0.11 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3ce6 h LEU 26 Cb 1.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3ce6 h LEU 26 CO 0.14 0.10 0.00 -1.54 0.09 0.00 0.00 178.44 177.23 3ce6 n SER 27 N -4.42 0.37 0.00 -0.43 3.41 -1.26 -1.61 113.62 109.68 3ce6 n SER 27 Ca 0.15 0.66 0.15 0.00 -0.26 0.00 0.00 58.87 59.56 3ce6 n SER 27 Cb 0.66 -0.71 0.87 0.00 -0.26 0.00 0.00 64.21 64.77 3ce6 n SER 27 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ce6 n LEU 28 N -1.98 0.00 -0.33 1.04 4.77 -0.55 -4.18 117.00 115.77 3ce6 n LEU 28 Ca -0.00 0.07 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 3ce6 n LEU 28 Cb 0.05 -0.07 0.10 0.00 -2.33 0.00 0.00 43.42 41.17 3ce6 n LEU 28 CO 0.08 -0.00 1.17 0.00 -1.33 0.00 0.00 177.39 177.31 3ce6 h ALA 29 N 3.80 1.18 0.01 -1.18 0.00 -1.52 0.19 119.26 121.75 3ce6 h ALA 29 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3ce6 h ALA 29 Cb 0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 3ce6 h ALA 29 CO 0.00 0.66 -0.01 -0.44 0.00 0.00 0.00 179.25 179.46 3ce6 h ASP 30 N 1.25 -0.03 -0.05 0.00 3.32 -1.84 0.30 116.42 119.36 3ce6 h ASP 30 Ca 0.31 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.40 3ce6 h ASP 30 Cb 0.03 0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 3ce6 h ASP 30 CO -0.05 -0.02 -0.14 0.15 -1.72 0.00 0.00 179.24 177.46 3ce6 h PHE 31 N -0.03 -0.37 -0.62 4.55 3.57 -1.79 -2.02 116.94 120.24 3ce6 h PHE 31 Ca 0.00 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.62 3ce6 h PHE 31 Cb 0.03 0.17 -0.08 0.00 2.79 0.00 0.00 35.95 38.86 3ce6 h PHE 31 CO -0.08 -0.21 0.20 0.78 -2.23 0.00 0.00 178.31 176.76 3ce6 h GLY 32 N -0.21 0.85 1.15 2.40 0.00 -0.46 -2.35 103.07 104.45 3ce6 h GLY 32 Ca 0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 3ce6 h GLY 32 CO -0.18 -0.06 0.24 -0.09 0.00 0.00 0.00 176.54 176.45 3ce6 h ARG 33 N 0.35 1.07 -0.44 4.80 9.65 -0.24 0.13 114.38 129.69 3ce6 h ARG 33 Ca 0.32 -0.21 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 3ce6 h ARG 33 Cb 0.44 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 3ce6 h ARG 33 CO -0.35 0.90 0.25 0.87 2.80 0.00 0.00 179.97 184.44 3ce6 h LYS 34 N 1.03 0.61 -0.22 0.20 1.57 -0.94 -1.00 116.57 117.83 3ce6 h LYS 34 Ca 0.23 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.84 3ce6 h LYS 34 Cb 0.26 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 3ce6 h LYS 34 CO -0.01 0.47 -0.31 0.93 -0.57 0.00 0.00 179.45 179.96 3ce6 h GLU 35 N 0.58 0.44 -0.57 3.15 5.08 -0.88 -2.42 114.58 119.96 3ce6 h GLU 35 Ca 0.16 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3ce6 h GLU 35 Cb 0.03 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 3ce6 h GLU 35 CO -0.03 0.71 0.35 -0.07 -1.00 0.00 0.00 179.01 178.97 3ce6 h LEU 36 N 0.39 0.56 -0.80 1.33 4.07 -0.48 -0.03 115.31 120.35 3ce6 h LEU 36 Ca 0.05 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 3ce6 h LEU 36 Cb 0.74 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 42.32 3ce6 h LEU 36 CO 0.06 0.40 0.32 0.03 -1.08 0.00 0.00 178.44 178.16 3ce6 h ARG 37 N 0.68 1.20 -0.41 1.13 3.08 -0.84 0.20 114.38 119.42 3ce6 h ARG 37 Ca 0.23 -0.22 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 3ce6 h ARG 37 Cb 0.02 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3ce6 h ARG 37 CO -0.10 0.97 -0.14 0.82 -1.07 0.00 0.00 179.97 180.46 3ce6 h ILE 38 N 1.17 1.28 -0.83 2.04 2.04 -1.25 -2.85 117.51 119.11 3ce6 h ILE 38 Ca 0.27 -1.26 0.03 0.00 1.00 0.00 0.00 64.86 64.90 3ce6 h ILE 38 Cb 0.22 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 3ce6 h ILE 38 CO -0.02 0.42 0.53 0.00 0.00 0.00 0.00 178.15 179.09 3ce6 h ALA 39 N 0.83 1.08 -0.47 1.87 0.00 -0.52 -2.42 119.26 119.63 3ce6 h ALA 39 Ca 0.10 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3ce6 h ALA 39 Cb 0.68 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3ce6 h ALA 39 CO 0.05 0.38 0.32 0.93 0.00 0.00 0.00 179.25 180.93 3ce6 h GLU 40 N 1.05 0.24 0.00 0.00 5.08 -0.37 0.23 114.58 120.81 3ce6 h GLU 40 Ca 0.32 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.61 3ce6 h GLU 40 Cb -0.03 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3ce6 h GLU 40 CO -0.10 0.16 -0.27 0.45 -1.00 0.00 0.00 179.01 178.25 3ce6 h HIS 41 N 0.25 0.00 -0.44 4.33 3.86 -1.42 -2.54 115.15 119.19 3ce6 h HIS 41 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 3ce6 h HIS 41 Cb 0.53 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.00 3ce6 h HIS 41 CO -0.00 0.27 0.00 0.39 0.86 0.00 0.00 177.93 179.45 3ce6 n GLU 42 N -3.55 2.49 -3.22 2.45 -0.58 0.67 -4.50 120.64 114.40 3ce6 n GLU 42 Ca -0.01 -2.27 -0.25 0.00 -0.42 0.00 0.00 57.16 54.22 3ce6 n GLU 42 Cb 0.42 -1.52 -0.06 0.00 -0.57 0.00 0.00 31.44 29.71 3ce6 n GLU 42 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3ce6 n MET 43 N 1.44 2.08 0.24 3.49 2.81 -0.34 -3.04 117.12 123.79 3ce6 n MET 43 Ca 0.20 -4.22 0.16 0.00 -1.81 0.00 0.00 57.70 52.04 3ce6 n MET 43 Cb 0.59 -1.94 0.70 0.00 -0.71 0.00 0.00 33.22 31.86 3ce6 n MET 43 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3ce6 h PRO 44 N 3.70 0.00 0.13 0.03 0.13 -1.79 -1.78 132.00 132.42 3ce6 h PRO 44 Ca 0.14 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 3ce6 h PRO 44 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3ce6 h PRO 44 CO 0.70 0.00 -0.06 0.78 -0.23 0.00 0.00 178.00 179.19 3ce6 h GLY 45 N 1.68 -0.19 0.96 1.56 0.00 -1.91 -0.34 103.07 104.85 3ce6 h GLY 45 Ca 0.00 0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.32 3ce6 h GLY 45 CO 0.00 -0.07 -0.06 1.41 0.00 0.00 0.00 176.54 177.82 3ce6 h LEU 46 N -0.39 0.74 -0.64 3.11 3.38 -1.68 -2.76 115.31 117.07 3ce6 h LEU 46 Ca -0.02 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.51 3ce6 h LEU 46 Cb 0.31 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3ce6 h LEU 46 CO 0.03 0.91 -0.06 0.24 0.09 0.00 0.00 178.44 179.65 3ce6 h MET 47 N 0.55 1.01 -0.40 1.13 2.86 -1.33 -0.90 114.93 117.86 3ce6 h MET 47 Ca 0.10 -0.34 -0.07 0.00 -2.06 0.00 0.00 59.70 57.33 3ce6 h MET 47 Cb 0.56 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.12 3ce6 h MET 47 CO 0.03 1.02 -0.05 1.03 1.06 0.00 0.00 176.91 180.01 3ce6 h SER 48 N 0.91 0.63 0.22 1.22 0.87 -1.08 -1.75 113.55 114.57 3ce6 h SER 48 Ca 0.15 -0.15 -0.16 0.00 -1.23 0.00 0.00 61.79 60.40 3ce6 h SER 48 Cb 0.61 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3ce6 h SER 48 CO 0.04 0.73 -0.62 -0.07 -0.53 0.00 0.00 176.83 176.38 3ce6 h LEU 49 N 0.61 0.44 -0.19 2.23 3.38 -1.11 -0.01 115.31 120.68 3ce6 h LEU 49 Ca 0.12 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3ce6 h LEU 49 Cb 0.45 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3ce6 h LEU 49 CO 0.02 0.96 0.12 0.03 0.09 0.00 0.00 178.44 179.66 3ce6 h ARG 50 N 0.29 0.25 -0.50 1.13 3.08 -0.73 -1.68 114.38 116.21 3ce6 h ARG 50 Ca -0.01 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.96 3ce6 h ARG 50 Cb 1.16 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.14 3ce6 h ARG 50 CO 0.11 0.16 0.04 0.00 -1.07 0.00 0.00 179.97 179.21 3ce6 h ARG 51 N 0.25 0.85 -0.67 0.04 3.08 -0.94 0.10 114.38 117.09 3ce6 h ARG 51 Ca 0.07 -0.25 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 3ce6 h ARG 51 Cb -0.03 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.90 3ce6 h ARG 51 CO -0.01 0.87 0.20 1.49 -1.07 0.00 0.00 179.97 181.44 3ce6 h GLU 52 N 0.72 1.05 -0.19 0.04 4.81 -0.81 -3.20 114.58 117.00 3ce6 h GLU 52 Ca 0.15 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3ce6 h GLU 52 Cb 0.45 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.69 3ce6 h GLU 52 CO 0.02 0.92 0.00 0.66 -0.73 0.00 0.00 179.01 179.87 3ce6 n TYR 53 N -4.32 0.25 -0.26 0.92 4.01 -0.65 -4.65 117.16 112.46 3ce6 n TYR 53 Ca 0.05 -0.26 -0.00 0.00 -0.16 0.00 0.00 57.90 57.52 3ce6 n TYR 53 Cb 0.23 -0.01 0.07 0.00 -0.31 0.00 0.00 39.34 39.31 3ce6 n TYR 53 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ce6 h ALA 54 N 2.16 0.34 -0.07 -0.72 0.00 -0.96 -0.82 119.26 119.19 3ce6 h ALA 54 Ca 0.00 0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.95 3ce6 h ALA 54 Cb 0.61 0.68 0.01 0.00 0.00 0.00 0.00 17.79 19.09 3ce6 h ALA 54 CO 0.00 -0.50 -0.84 1.49 0.00 0.00 0.00 179.25 179.40 3ce6 h GLU 55 N -0.04 0.69 -0.59 0.00 4.81 -1.82 -3.32 114.58 114.30 3ce6 h GLU 55 Ca 0.33 -0.65 -0.09 0.00 -0.13 0.00 0.00 59.36 58.82 3ce6 h GLU 55 Cb 0.57 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3ce6 h GLU 55 CO -0.78 1.25 0.02 0.28 -0.73 0.00 0.00 179.01 179.05 3ce6 h VAL 56 N 0.37 1.26 -5.77 0.32 2.07 -1.83 -3.48 116.25 109.19 3ce6 h VAL 56 Ca -0.09 -1.11 -0.33 0.00 0.82 0.00 0.00 66.70 65.99 3ce6 h VAL 56 Cb 1.49 0.78 0.15 0.00 -1.52 0.00 0.00 31.29 32.19 3ce6 h VAL 56 CO 0.17 0.40 -0.87 0.00 0.02 0.00 0.00 177.57 177.29 3ce6 n GLN 57 N -4.19 -2.82 0.26 1.57 1.13 -0.33 -4.87 117.38 108.13 3ce6 n GLN 57 Ca 0.03 0.72 0.14 0.00 -1.94 0.00 0.00 57.00 55.95 3ce6 n GLN 57 Cb 0.33 -5.28 0.63 0.00 0.11 0.00 0.00 30.24 26.03 3ce6 n GLN 57 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 3ce6 h PRO 58 N -1.50 0.00 -0.70 -1.09 0.13 -1.66 -2.60 132.00 124.58 3ce6 h PRO 58 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 3ce6 h PRO 58 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 3ce6 h PRO 58 CO 0.48 0.10 0.00 1.28 -0.23 0.00 0.00 178.00 179.62 3ce6 n LEU 59 N -3.27 3.93 -4.63 1.56 4.77 0.44 -4.73 117.00 115.07 3ce6 n LEU 59 Ca -0.00 -1.97 -0.48 0.00 -0.03 0.00 0.00 56.01 53.53 3ce6 n LEU 59 Cb 0.33 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.89 3ce6 n LEU 59 CO 0.29 0.92 1.01 1.17 -1.33 0.00 0.00 177.39 179.45 3ce6 n LYS 60 N 1.50 1.70 0.00 3.23 4.81 -0.98 -0.55 118.16 127.87 3ce6 n LYS 60 Ca 0.24 0.61 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 3ce6 n LYS 60 Cb 0.64 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.41 3ce6 n LYS 60 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3ce6 n GLY 61 N 2.72 1.83 3.77 3.14 0.00 -1.26 -4.98 105.19 110.42 3ce6 n GLY 61 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3ce6 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ce6 s ALA 62 N -2.42 3.25 -0.43 4.61 0.00 0.28 -4.98 121.76 122.07 3ce6 s ALA 62 Ca 0.00 0.86 0.02 0.00 0.00 0.00 0.00 51.96 52.84 3ce6 s ALA 62 Cb 0.00 -3.32 0.13 0.00 0.00 0.00 0.00 23.12 19.93 3ce6 s ALA 62 CO 0.00 -0.27 0.23 1.03 0.00 0.00 0.00 175.76 176.75 3ce6 s ARG 63 N -1.98 1.26 -0.24 0.00 0.52 -1.25 -0.96 118.95 116.29 3ce6 s ARG 63 Ca 0.52 -1.96 -0.18 0.00 -0.52 0.00 0.00 55.73 53.59 3ce6 s ARG 63 Cb -0.29 -2.33 -0.03 0.00 0.52 0.00 0.00 34.95 32.83 3ce6 s ARG 63 CO 0.36 -1.15 0.54 0.42 0.02 0.00 0.00 175.30 175.49 3ce6 s ILE 64 N 0.43 5.06 -0.24 1.52 1.01 -0.04 -1.47 121.20 127.47 3ce6 s ILE 64 Ca 0.17 0.94 -0.18 0.00 0.00 0.00 0.00 60.65 61.59 3ce6 s ILE 64 Cb -0.24 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 3ce6 s ILE 64 CO -0.01 0.10 0.49 -0.44 0.00 0.00 0.00 174.94 175.09 3ce6 s SER 65 N 1.43 6.44 -0.19 3.58 0.01 -0.46 -1.81 113.70 122.70 3ce6 s SER 65 Ca 0.23 0.53 -0.03 0.00 1.31 0.00 0.00 55.95 57.98 3ce6 s SER 65 Cb -0.16 -2.27 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 3ce6 s SER 65 CO 0.09 -0.24 -0.05 -0.83 0.41 0.00 0.00 173.24 172.63 3ce6 s GLY 66 N 1.43 1.64 -0.31 3.44 0.00 -0.25 -1.26 107.32 112.01 3ce6 s GLY 66 Ca 0.21 -1.01 0.03 0.00 0.00 0.00 0.00 44.72 43.95 3ce6 s GLY 66 CO 0.09 0.18 0.00 -0.45 0.00 0.00 0.00 173.10 172.92 3ce6 s SER 67 N 0.95 4.70 -0.29 1.64 0.15 0.36 -0.90 113.70 120.31 3ce6 s SER 67 Ca -0.00 -1.84 -0.16 0.00 0.70 0.00 0.00 55.95 54.66 3ce6 s SER 67 Cb -0.15 -1.62 0.15 0.00 -1.71 0.00 0.00 66.02 62.69 3ce6 s SER 67 CO 0.01 -0.32 0.96 -0.22 1.20 0.00 0.00 173.24 174.87 3ce6 s LEU 68 N 1.01 -0.55 -0.08 3.45 0.20 0.12 -1.92 118.68 120.91 3ce6 s LEU 68 Ca 0.03 0.86 -0.07 0.00 0.69 0.00 0.00 54.13 55.63 3ce6 s LEU 68 Cb -0.20 1.77 -0.03 0.00 -0.43 0.00 0.00 46.19 47.30 3ce6 s LEU 68 CO -0.06 -0.13 0.28 1.41 -0.29 0.00 0.00 176.35 177.56 3ce6 n HIS 69 N 4.00 0.23 -2.28 5.38 8.25 -1.26 -4.16 115.22 125.38 3ce6 n HIS 69 Ca -0.17 0.15 -0.43 0.00 -0.26 0.00 0.00 57.72 57.02 3ce6 n HIS 69 Cb 0.57 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.33 3ce6 n HIS 69 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 3ce6 n MET 70 N 0.86 3.13 -3.75 -0.41 1.56 -1.26 -4.56 117.12 112.68 3ce6 n MET 70 Ca 0.06 -3.11 -0.25 0.00 -0.27 0.00 0.00 57.70 54.13 3ce6 n MET 70 Cb -0.01 -3.31 0.00 0.00 2.15 0.00 0.00 33.22 32.05 3ce6 n MET 70 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3ce6 s THR 71 N 3.17 1.79 0.25 1.12 -4.23 -1.26 -0.39 115.64 116.09 3ce6 s THR 71 Ca 0.49 -1.42 -0.04 0.00 -1.18 0.00 0.00 61.69 59.54 3ce6 s THR 71 Cb 0.08 -2.21 0.22 0.00 1.34 0.00 0.00 72.50 71.93 3ce6 s THR 71 CO 0.00 0.00 1.82 0.58 -0.54 0.00 0.00 174.62 176.48 3ce6 h VAL 72 N 0.70 0.93 -0.57 2.29 2.07 -1.91 0.23 116.25 119.99 3ce6 h VAL 72 Ca -0.36 -0.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3ce6 h VAL 72 Cb 1.30 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3ce6 h VAL 72 CO 0.55 0.15 0.07 1.56 0.02 0.00 0.00 177.57 179.93 3ce6 h GLN 73 N 0.85 0.96 -0.54 1.57 7.50 -1.93 -2.46 115.11 121.05 3ce6 h GLN 73 Ca 0.41 -0.27 -0.08 0.00 0.50 0.00 0.00 58.65 59.20 3ce6 h GLN 73 Cb 0.35 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.75 3ce6 h GLN 73 CO -0.24 0.93 -0.00 1.15 -1.50 0.00 0.00 178.83 179.16 3ce6 h THR 74 N 0.85 1.26 -0.79 -0.54 2.02 -1.62 -2.36 112.91 111.72 3ce6 h THR 74 Ca 0.17 -1.08 0.12 0.00 0.77 0.00 0.00 66.41 66.38 3ce6 h THR 74 Cb 0.45 0.84 -0.08 0.00 -1.74 0.00 0.00 68.15 67.62 3ce6 h THR 74 CO 0.02 0.39 0.40 0.00 0.37 0.00 0.00 175.52 176.70 3ce6 h ALA 75 N 1.14 1.14 -0.22 6.16 0.00 -0.52 0.36 119.26 127.32 3ce6 h ALA 75 Ca 0.16 0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 3ce6 h ALA 75 Cb 0.51 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ce6 h ALA 75 CO 0.02 -0.05 -0.56 0.28 0.00 0.00 0.00 179.25 178.95 3ce6 h VAL 76 N 0.63 1.30 0.29 0.00 2.07 -1.18 -1.02 116.25 118.35 3ce6 h VAL 76 Ca 0.41 -1.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 3ce6 h VAL 76 Cb 0.50 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3ce6 h VAL 76 CO -0.31 0.57 -0.23 0.25 0.02 0.00 0.00 177.57 177.86 3ce6 h LEU 77 N 0.52 -0.60 -0.51 2.57 5.85 -0.82 -1.92 115.31 120.40 3ce6 h LEU 77 Ca 0.01 0.05 0.10 0.00 0.84 0.00 0.00 57.88 58.88 3ce6 h LEU 77 Cb 1.13 0.19 -0.09 0.00 0.37 0.00 0.00 40.66 42.27 3ce6 h LEU 77 CO 0.11 -0.35 -0.02 0.40 -0.34 0.00 0.00 178.44 178.25 3ce6 h ILE 78 N -0.53 0.58 0.00 4.05 2.04 0.06 -0.56 117.51 123.15 3ce6 h ILE 78 Ca -0.02 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3ce6 h ILE 78 Cb 0.46 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3ce6 h ILE 78 CO -0.01 0.02 0.00 -0.62 0.00 0.00 0.00 178.15 177.53 3ce6 n GLU 79 N -5.25 0.02 0.08 2.37 1.02 -0.42 -1.12 120.64 117.33 3ce6 n GLU 79 Ca 0.06 0.11 -0.22 0.00 -0.02 0.00 0.00 57.16 57.08 3ce6 n GLU 79 Cb 0.28 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.05 3ce6 n GLU 79 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3ce6 h THR 80 N 0.00 1.23 -0.07 2.62 2.02 -0.34 -2.45 112.91 115.92 3ce6 h THR 80 Ca 0.00 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.63 3ce6 h THR 80 Cb 0.38 2.97 -0.00 0.00 -1.74 0.00 0.00 68.15 69.75 3ce6 h THR 80 CO 0.00 0.77 0.04 -0.07 0.37 0.00 0.00 175.52 176.63 3ce6 h LEU 81 N -0.11 0.07 -0.72 2.58 3.38 -0.40 -1.65 115.31 118.47 3ce6 h LEU 81 Ca -0.25 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.64 3ce6 h LEU 81 Cb 1.92 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.62 3ce6 h LEU 81 CO 0.18 0.05 0.14 0.71 0.09 0.00 0.00 178.44 179.61 3ce6 h THR 82 N 0.09 1.26 -0.68 0.22 1.35 -1.25 -1.90 112.91 112.00 3ce6 h THR 82 Ca 0.02 -1.01 0.14 0.00 -0.55 0.00 0.00 66.41 65.02 3ce6 h THR 82 Cb -0.01 0.57 -0.04 0.00 -1.73 0.00 0.00 68.15 66.94 3ce6 h THR 82 CO -0.01 0.38 0.46 0.00 -0.25 0.00 0.00 175.52 176.11 3ce6 h ALA 83 N 1.09 2.17 -0.06 6.62 0.00 -1.11 -1.49 119.26 126.48 3ce6 h ALA 83 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3ce6 h ALA 83 Cb 0.40 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3ce6 h ALA 83 CO 0.01 -0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.19 3ce6 n LEU 84 N -4.46 1.52 0.00 0.00 4.77 -0.65 -4.82 117.00 113.36 3ce6 n LEU 84 Ca 0.13 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.55 3ce6 n LEU 84 Cb 0.51 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3ce6 n LEU 84 CO 0.34 0.28 0.00 0.61 -1.33 0.00 0.00 177.39 177.28 3ce6 n GLY 85 N 1.16 0.61 3.78 -0.72 0.00 -0.56 -0.42 105.19 109.04 3ce6 n GLY 85 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3ce6 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ce6 s ALA 86 N -2.00 2.65 0.18 4.61 0.00 -0.75 -3.67 121.76 122.78 3ce6 s ALA 86 Ca 0.00 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.52 3ce6 s ALA 86 Cb 0.00 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 3ce6 s ALA 86 CO 0.00 -0.91 0.37 -1.21 0.00 0.00 0.00 175.76 174.01 3ce6 s GLU 87 N -3.81 3.52 0.04 0.00 2.02 -0.14 -4.20 118.70 116.13 3ce6 s GLU 87 Ca 0.67 -0.34 -0.04 0.00 0.02 0.00 0.00 54.97 55.29 3ce6 s GLU 87 Cb -0.19 -2.86 -0.02 0.00 0.10 0.00 0.00 34.13 31.15 3ce6 s GLU 87 CO 0.34 0.43 0.05 0.14 0.02 0.00 0.00 175.26 176.25 3ce6 s VAL 88 N -1.81 0.15 -0.01 2.63 -7.23 -1.26 -0.86 120.40 112.00 3ce6 s VAL 88 Ca 0.38 -1.25 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 3ce6 s VAL 88 Cb -0.11 -0.98 0.02 0.00 0.56 0.00 0.00 36.38 35.87 3ce6 s VAL 88 CO 0.28 -0.69 0.02 -0.13 -0.31 0.00 0.00 175.10 174.27 3ce6 s ARG 89 N -2.83 0.01 0.07 4.82 0.52 -0.75 -4.15 118.95 116.63 3ce6 s ARG 89 Ca -0.03 0.12 0.06 0.00 -0.52 0.00 0.00 55.73 55.36 3ce6 s ARG 89 Cb 0.00 -0.20 -0.03 0.00 0.52 0.00 0.00 34.95 35.24 3ce6 s ARG 89 CO -0.06 -0.11 -0.16 -0.46 0.02 0.00 0.00 175.30 174.53 3ce6 s TRP 90 N 0.75 1.37 0.08 -0.53 -0.11 -0.64 -1.08 118.94 118.78 3ce6 s TRP 90 Ca -0.06 -0.42 -0.03 0.00 1.22 0.00 0.00 56.10 56.81 3ce6 s TRP 90 Cb -0.09 -0.78 -0.03 0.00 -1.50 0.00 0.00 33.47 31.07 3ce6 s TRP 90 CO -0.02 0.08 0.04 0.00 -4.62 0.00 0.00 176.95 172.44 3ce6 s ALA 91 N -1.12 0.44 0.70 5.86 0.00 -0.08 -1.03 121.76 126.54 3ce6 s ALA 91 Ca 0.01 -1.16 -0.11 0.00 0.00 0.00 0.00 51.96 50.71 3ce6 s ALA 91 Cb -0.09 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.52 3ce6 s ALA 91 CO 0.02 -0.44 1.06 0.45 0.00 0.00 0.00 175.76 176.86 3ce6 s SER 92 N -2.94 5.30 -0.13 0.00 0.15 -1.25 -0.70 113.70 114.13 3ce6 s SER 92 Ca 0.11 1.59 0.15 0.00 0.70 0.00 0.00 55.95 58.51 3ce6 s SER 92 Cb 0.07 -2.45 0.56 0.00 -1.71 0.00 0.00 66.02 62.49 3ce6 s SER 92 CO -0.07 -1.49 1.48 0.00 1.20 0.00 0.00 173.24 174.36 3ce6 s ASN 94 N -1.31 -0.11 0.51 0.00 3.84 -1.26 -4.92 114.94 111.68 3ce6 s ASN 94 Ca 0.42 -0.00 0.34 0.00 0.21 0.00 0.00 52.86 53.82 3ce6 s ASN 94 Cb 0.29 0.28 1.54 0.00 -0.55 0.00 0.00 41.25 42.82 3ce6 s ASN 94 CO 0.16 -0.40 2.01 0.16 -2.79 0.00 0.00 177.10 176.24 3ce6 h ILE 95 N 4.07 0.00 -0.00 -5.21 3.07 -1.91 -3.21 117.51 114.32 3ce6 h ILE 95 Ca -0.30 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 65.80 3ce6 h ILE 95 Cb 1.18 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.96 3ce6 h ILE 95 CO 0.40 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.99 3ce6 n PHE 96 N -2.88 0.00 0.53 0.16 3.72 -1.26 -0.53 117.46 117.20 3ce6 n PHE 96 Ca -0.00 -0.01 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 3ce6 n PHE 96 Cb 0.22 -0.00 0.16 0.00 -0.94 0.00 0.00 39.48 38.92 3ce6 n PHE 96 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3ce6 h SER 97 N 0.16 0.00 -3.73 4.37 4.64 -1.76 -3.39 113.55 113.84 3ce6 h SER 97 Ca 0.00 -0.19 -0.56 0.00 -0.47 0.00 0.00 61.79 60.57 3ce6 h SER 97 Cb 0.05 0.00 0.13 0.00 -0.31 0.00 0.00 62.40 62.27 3ce6 h SER 97 CO 0.00 0.10 0.49 0.41 -0.87 0.00 0.00 176.83 176.96 3ce6 n THR 98 N -2.17 3.13 -3.77 2.95 -1.04 -1.26 -4.36 114.28 107.77 3ce6 n THR 98 Ca 0.03 -0.50 -0.37 0.00 -2.04 0.00 0.00 64.05 61.17 3ce6 n THR 98 Cb 0.45 -1.56 -0.12 0.00 -1.82 0.00 0.00 70.33 67.27 3ce6 n THR 98 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3ce6 s GLN 99 N -2.51 2.48 0.38 -2.82 -0.21 0.48 -4.23 119.66 113.22 3ce6 s GLN 99 Ca 0.66 -1.35 0.13 0.00 0.02 0.00 0.00 55.36 54.82 3ce6 s GLN 99 Cb -0.46 -3.47 0.93 0.00 1.00 0.00 0.00 33.01 31.01 3ce6 s GLN 99 CO 0.54 -0.77 1.85 -0.44 -2.12 0.00 0.00 175.29 174.35 3ce6 h ASP 100 N 8.17 0.55 -0.09 5.90 3.32 -1.94 -1.60 116.42 130.74 3ce6 h ASP 100 Ca -0.21 0.05 -0.16 0.00 0.02 0.00 0.00 57.03 56.73 3ce6 h ASP 100 Cb 1.07 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 3ce6 h ASP 100 CO 0.63 0.24 -0.48 1.12 -1.72 0.00 0.00 179.24 179.03 3ce6 h HIS 101 N 0.57 0.80 -0.69 4.55 2.07 -1.91 -1.90 115.15 118.64 3ce6 h HIS 101 Ca 0.47 -0.26 0.02 0.00 -2.85 0.00 0.00 60.37 57.74 3ce6 h HIS 101 Cb 0.94 -0.16 -0.04 0.00 2.57 0.00 0.00 27.41 30.73 3ce6 h HIS 101 CO -0.00 1.01 0.45 0.00 -3.07 0.00 0.00 177.93 176.31 3ce6 h ALA 102 N 0.94 0.88 -0.41 6.11 0.00 -1.63 -0.66 119.26 124.49 3ce6 h ALA 102 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3ce6 h ALA 102 Cb 1.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3ce6 h ALA 102 CO 0.10 0.26 0.24 0.00 0.00 0.00 0.00 179.25 179.85 3ce6 h ALA 103 N 1.27 0.53 -0.38 0.00 0.00 -1.21 -0.83 119.26 118.64 3ce6 h ALA 103 Ca 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3ce6 h ALA 103 Cb -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3ce6 h ALA 103 CO -0.08 0.03 0.15 0.00 0.00 0.00 0.00 179.25 179.35 3ce6 h ALA 104 N 1.11 0.49 -0.30 0.00 0.00 -1.23 -2.06 119.26 117.26 3ce6 h ALA 104 Ca 0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3ce6 h ALA 104 Cb 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3ce6 h ALA 104 CO -0.03 0.10 0.03 0.00 0.00 0.00 0.00 179.25 179.35 3ce6 h ALA 105 N 0.99 1.49 -0.32 0.00 0.00 -0.80 -1.02 119.26 119.61 3ce6 h ALA 105 Ca 0.13 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3ce6 h ALA 105 Cb 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3ce6 h ALA 105 CO -0.01 0.37 -0.42 0.28 0.00 0.00 0.00 179.25 179.47 3ce6 h VAL 106 N 0.44 1.28 -0.07 0.00 2.07 -0.85 0.23 116.25 119.34 3ce6 h VAL 106 Ca 0.10 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 65.98 3ce6 h VAL 106 Cb 0.24 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.50 3ce6 h VAL 106 CO 0.00 0.52 -0.11 0.58 0.02 0.00 0.00 177.57 178.58 3ce6 h VAL 107 N 0.64 1.39 -0.42 2.57 2.07 -1.06 -1.64 116.25 119.81 3ce6 h VAL 107 Ca 0.05 -1.36 -0.07 0.00 0.82 0.00 0.00 66.70 66.14 3ce6 h VAL 107 Cb 0.99 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.86 3ce6 h VAL 107 CO 0.09 0.38 -0.03 0.58 0.02 0.00 0.00 177.57 178.61 3ce6 h VAL 108 N -0.26 1.24 0.00 2.57 2.07 -1.19 0.70 116.25 121.38 3ce6 h VAL 108 Ca 0.01 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.54 3ce6 h VAL 108 Cb 0.67 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3ce6 h VAL 108 CO 0.03 0.34 0.00 0.61 0.02 0.00 0.00 177.57 178.57 3ce6 n GLY 109 N -0.66 -1.43 0.28 2.17 0.00 0.81 -1.19 105.19 105.17 3ce6 n GLY 109 Ca 0.02 -1.58 0.18 0.00 0.00 0.00 0.00 46.02 44.64 3ce6 n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3ce6 h PRO 110 N 0.00 0.00 0.00 1.61 0.13 -1.85 -3.20 132.00 128.69 3ce6 h PRO 110 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3ce6 h PRO 110 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3ce6 h PRO 110 CO 0.00 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 178.49 3ce6 n HIS 111 N -3.00 0.00 -2.02 1.56 8.25 -1.26 -5.05 115.22 113.70 3ce6 n HIS 111 Ca -0.00 -0.17 -0.14 0.00 -0.26 0.00 0.00 57.72 57.15 3ce6 n HIS 111 Cb 0.24 -0.02 0.08 0.00 1.12 0.00 0.00 29.99 31.42 3ce6 n HIS 111 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ce6 n GLY 112 N -0.17 -0.18 3.25 -1.41 0.00 -0.92 -4.92 105.19 100.83 3ce6 n GLY 112 Ca 0.00 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.02 3ce6 n GLY 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ce6 s THR 113 N -1.95 0.67 0.39 2.61 -4.23 -0.33 -4.89 115.64 107.91 3ce6 s THR 113 Ca 0.37 -1.98 0.09 0.00 -1.18 0.00 0.00 61.69 58.98 3ce6 s THR 113 Cb -0.02 -2.18 0.30 0.00 1.34 0.00 0.00 72.50 71.95 3ce6 s THR 113 CO 0.25 -0.42 1.97 -0.65 -0.54 0.00 0.00 174.62 175.24 3ce6 h PRO 114 N 2.65 0.60 -0.04 3.99 0.11 -1.93 -0.46 132.00 136.91 3ce6 h PRO 114 Ca -0.37 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 65.55 3ce6 h PRO 114 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3ce6 h PRO 114 CO 0.62 0.40 -0.67 -0.44 -0.21 0.00 0.00 178.00 177.70 3ce6 h ASP 115 N 0.62 0.23 -2.56 -2.05 3.32 -1.97 -3.37 116.42 110.64 3ce6 h ASP 115 Ca 0.29 -0.15 -0.60 0.00 0.02 0.00 0.00 57.03 56.59 3ce6 h ASP 115 Cb 0.34 -0.07 -0.39 0.00 0.22 0.00 0.00 39.33 39.42 3ce6 h ASP 115 CO -0.09 0.84 -0.85 1.21 -1.72 0.00 0.00 179.24 178.63 3ce6 n GLU 116 N -3.81 0.82 -2.09 3.56 2.13 -0.93 -4.78 120.64 115.54 3ce6 n GLU 116 Ca -0.02 -3.65 -0.36 0.00 0.66 0.00 0.00 57.16 53.79 3ce6 n GLU 116 Cb 0.67 -1.86 0.02 0.00 0.27 0.00 0.00 31.44 30.54 3ce6 n GLU 116 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3ce6 s PRO 117 N -0.59 3.17 -0.01 5.31 0.04 -0.23 -1.19 135.00 141.50 3ce6 s PRO 117 Ca 0.31 1.79 0.26 0.00 0.04 0.00 0.00 61.00 63.39 3ce6 s PRO 117 Cb 0.03 -2.02 0.43 0.00 0.04 0.00 0.00 34.50 32.98 3ce6 s PRO 117 CO -0.18 -1.04 1.17 1.63 0.04 0.00 0.00 177.00 178.62 3ce6 n LYS 118 N -1.37 0.06 0.00 4.56 5.02 -0.33 -4.75 118.16 121.36 3ce6 n LYS 118 Ca 0.12 -2.05 0.00 0.00 -2.02 0.00 0.00 58.31 54.36 3ce6 n LYS 118 Cb 0.50 -0.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.45 3ce6 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ce6 n GLY 119 N 0.46 1.06 3.09 0.72 0.00 0.24 -4.52 105.19 106.23 3ce6 n GLY 119 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 3ce6 n GLY 119 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ce6 s VAL 120 N 3.92 0.18 0.09 1.61 -7.23 -0.62 -4.92 120.40 113.43 3ce6 s VAL 120 Ca 0.00 -1.45 -0.31 0.00 -1.81 0.00 0.00 61.98 58.41 3ce6 s VAL 120 Cb 0.00 -1.16 -0.10 0.00 0.56 0.00 0.00 36.38 35.68 3ce6 s VAL 120 CO 0.00 -0.80 1.84 -2.84 -0.31 0.00 0.00 175.10 172.99 3ce6 s PRO 121 N -3.23 4.14 -0.04 4.82 0.02 -1.26 -4.04 135.00 135.42 3ce6 s PRO 121 Ca 0.00 2.57 0.03 0.00 0.02 0.00 0.00 61.00 63.62 3ce6 s PRO 121 Cb 0.03 -3.75 0.00 0.00 0.02 0.00 0.00 34.50 30.80 3ce6 s PRO 121 CO -0.07 -0.86 -0.13 0.08 -0.33 0.00 0.00 177.00 175.68 3ce6 s VAL 122 N 3.19 1.13 -0.43 3.83 1.01 -1.26 -1.61 120.40 126.27 3ce6 s VAL 122 Ca 0.82 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.28 3ce6 s VAL 122 Cb -0.44 -0.99 0.13 0.00 0.00 0.00 0.00 36.38 35.07 3ce6 s VAL 122 CO 0.37 0.34 0.21 -0.36 0.00 0.00 0.00 175.10 175.66 3ce6 s PHE 123 N 0.19 2.19 -0.29 5.22 0.08 -0.20 -0.40 117.98 124.77 3ce6 s PHE 123 Ca -0.05 -2.47 -0.24 0.00 0.12 0.00 0.00 56.93 54.29 3ce6 s PHE 123 Cb -0.11 -2.04 0.15 0.00 -0.57 0.00 0.00 43.02 40.45 3ce6 s PHE 123 CO 0.02 -0.80 1.18 0.00 -0.10 0.00 0.00 175.22 175.52 3ce6 s ALA 124 N 0.46 -2.10 0.06 5.36 0.00 0.20 -3.95 121.76 121.79 3ce6 s ALA 124 Ca 0.16 1.82 -0.17 0.00 0.00 0.00 0.00 51.96 53.77 3ce6 s ALA 124 Cb -0.24 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.33 3ce6 s ALA 124 CO -0.03 -0.19 0.40 1.67 0.00 0.00 0.00 175.76 177.60 3ce6 s TRP 125 N 0.23 -0.23 0.04 0.00 -2.14 -1.26 -4.25 118.94 111.32 3ce6 s TRP 125 Ca 0.04 0.11 -0.30 0.00 2.66 0.00 0.00 56.10 58.61 3ce6 s TRP 125 Cb -0.05 0.21 -0.05 0.00 -3.10 0.00 0.00 33.47 30.49 3ce6 s TRP 125 CO -0.10 -0.60 1.10 0.21 -2.66 0.00 0.00 176.95 174.90 3ce6 s LYS 126 N -2.81 4.49 0.00 3.25 2.20 -1.26 -3.89 119.74 121.72 3ce6 s LYS 126 Ca -0.03 1.61 0.00 0.00 -0.36 0.00 0.00 55.97 57.19 3ce6 s LYS 126 Cb -0.00 -3.40 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 3ce6 s LYS 126 CO -0.05 -0.16 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 3ce6 n GLY 127 N 3.05 1.16 3.76 5.54 0.00 0.31 -5.01 105.19 114.00 3ce6 n GLY 127 Ca 0.07 -0.22 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 3ce6 n GLY 127 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ce6 s GLU 128 N -1.59 3.43 0.90 1.61 2.02 -0.86 -5.05 118.70 119.15 3ce6 s GLU 128 Ca 0.00 1.82 -0.12 0.00 0.02 0.00 0.00 54.97 56.69 3ce6 s GLU 128 Cb 0.00 -2.21 0.13 0.00 0.10 0.00 0.00 34.13 32.15 3ce6 s GLU 128 CO 0.00 -0.84 1.14 0.95 0.02 0.00 0.00 175.26 176.53 3ce6 s THR 129 N -1.56 2.02 0.22 3.63 -4.23 -1.26 -4.86 115.64 109.60 3ce6 s THR 129 Ca 0.69 0.01 -0.09 0.00 -1.18 0.00 0.00 61.69 61.13 3ce6 s THR 129 Cb -0.30 -2.78 0.18 0.00 1.34 0.00 0.00 72.50 70.94 3ce6 s THR 129 CO 0.35 -0.01 1.86 -0.07 -0.54 0.00 0.00 174.62 176.20 3ce6 h LEU 130 N -1.45 1.01 -0.49 4.79 3.38 -1.99 0.22 115.31 120.78 3ce6 h LEU 130 Ca -0.50 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.37 3ce6 h LEU 130 Cb 1.33 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 3ce6 h LEU 130 CO 0.62 0.79 0.21 -0.33 0.09 0.00 0.00 178.44 179.82 3ce6 h GLU 131 N 1.14 0.72 -0.44 1.13 3.07 -1.96 -2.11 114.58 116.13 3ce6 h GLU 131 Ca 0.30 -0.12 -0.10 0.00 -0.50 0.00 0.00 59.36 58.94 3ce6 h GLU 131 Cb -0.02 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.75 3ce6 h GLU 131 CO -0.05 0.63 -0.12 0.93 -1.40 0.00 0.00 179.01 179.00 3ce6 h GLU 132 N 0.65 0.81 -0.25 2.33 5.08 -1.84 0.01 114.58 121.36 3ce6 h GLU 132 Ca 0.16 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 3ce6 h GLU 132 Cb 0.17 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3ce6 h GLU 132 CO -0.02 0.89 0.11 -0.92 -1.00 0.00 0.00 179.01 178.07 3ce6 h TYR 133 N 0.73 0.21 -0.08 4.33 3.20 -0.26 -0.33 116.97 124.76 3ce6 h TYR 133 Ca 0.12 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.84 3ce6 h TYR 133 Cb 0.61 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 3ce6 h TYR 133 CO 0.03 0.11 -0.64 -1.49 -1.64 0.00 0.00 178.16 174.53 3ce6 h TRP 134 N 0.24 0.42 -0.21 -3.82 4.06 -1.27 -1.36 115.95 114.01 3ce6 h TRP 134 Ca 0.10 -0.17 0.03 0.00 2.06 0.00 0.00 58.89 60.91 3ce6 h TRP 134 Cb 0.04 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.10 3ce6 h TRP 134 CO -0.10 0.87 0.03 2.35 -3.56 0.00 0.00 178.44 178.03 3ce6 h TRP 135 N 0.23 0.04 -0.88 0.49 7.01 -0.83 -1.35 115.95 120.66 3ce6 h TRP 135 Ca -0.01 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3ce6 h TRP 135 Cb 1.18 0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 28.20 3ce6 h TRP 135 CO 0.03 0.01 0.57 0.00 -2.79 0.00 0.00 178.44 176.25 3ce6 h ALA 136 N 1.16 1.12 -0.53 2.65 0.00 -0.84 -1.80 119.26 121.01 3ce6 h ALA 136 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3ce6 h ALA 136 Cb 0.10 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3ce6 h ALA 136 CO -0.14 0.55 0.35 0.00 0.00 0.00 0.00 179.25 180.01 3ce6 h ALA 137 N 1.31 0.68 -0.71 0.00 0.00 -1.07 0.87 119.26 120.34 3ce6 h ALA 137 Ca 0.32 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 3ce6 h ALA 137 Cb -0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3ce6 h ALA 137 CO -0.07 0.13 0.21 1.49 0.00 0.00 0.00 179.25 181.01 3ce6 h GLU 138 N 0.72 1.10 -0.79 0.00 4.81 -0.76 -1.02 114.58 118.64 3ce6 h GLU 138 Ca 0.19 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 3ce6 h GLU 138 Cb -0.07 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.12 3ce6 h GLU 138 CO -0.04 0.95 0.35 1.96 -0.73 0.00 0.00 179.01 181.49 3ce6 h GLN 139 N 1.05 1.16 0.00 1.92 1.08 -0.86 -1.64 115.11 117.82 3ce6 h GLN 139 Ca 0.23 -0.19 -0.08 0.00 -1.45 0.00 0.00 58.65 57.16 3ce6 h GLN 139 Cb 0.32 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 3ce6 h GLN 139 CO -0.01 0.92 -0.38 1.98 -0.95 0.00 0.00 178.83 180.39 3ce6 h MET 140 N 1.14 0.00 -0.01 1.46 4.05 0.02 -2.96 114.93 118.63 3ce6 h MET 140 Ca 0.27 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.69 3ce6 h MET 140 Cb 0.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.97 3ce6 h MET 140 CO -0.03 0.38 -0.30 1.28 0.23 0.00 0.00 176.91 178.48 3ce6 n LEU 141 N -3.76 1.11 -4.11 3.39 4.77 -0.47 -4.67 117.00 113.26 3ce6 n LEU 141 Ca -0.01 -0.31 -0.36 0.00 -0.03 0.00 0.00 56.01 55.30 3ce6 n LEU 141 Cb 0.46 -0.11 -0.11 0.00 -2.33 0.00 0.00 43.42 41.33 3ce6 n LEU 141 CO 0.37 0.21 -0.13 -0.89 -1.33 0.00 0.00 177.39 175.62 3ce6 s THR 142 N -2.52 3.37 0.50 -5.08 2.01 -0.66 -4.46 115.64 108.79 3ce6 s THR 142 Ca 0.23 -2.24 -0.19 0.00 0.31 0.00 0.00 61.69 59.80 3ce6 s THR 142 Cb 0.19 -3.29 -0.08 0.00 0.01 0.00 0.00 72.50 69.33 3ce6 s THR 142 CO 0.54 -0.73 1.02 0.26 -0.69 0.00 0.00 174.62 175.02 3ce6 s TRP 143 N 0.90 3.11 0.22 4.92 0.52 -1.26 -4.90 118.94 122.45 3ce6 s TRP 143 Ca 0.10 1.56 -0.04 0.00 0.02 0.00 0.00 56.10 57.74 3ce6 s TRP 143 Cb -0.22 -2.98 0.22 0.00 -1.15 0.00 0.00 33.47 29.33 3ce6 s TRP 143 CO -0.04 -0.69 1.67 -1.00 0.02 0.00 0.00 176.95 176.91 3ce6 h PRO 144 N 1.35 0.83 -5.27 4.98 0.13 -1.97 -3.40 132.00 128.65 3ce6 h PRO 144 Ca -0.49 -0.29 -0.65 0.00 -0.87 0.00 0.00 66.00 63.71 3ce6 h PRO 144 Cb 1.21 -0.06 -0.15 0.00 0.13 0.00 0.00 31.00 32.12 3ce6 h PRO 144 CO 0.59 0.90 0.01 0.34 -0.23 0.00 0.00 178.00 179.62 3ce6 s ASP 145 N -6.69 6.32 0.65 1.44 -1.08 -1.26 -4.95 116.67 111.09 3ce6 s ASP 145 Ca -0.10 -0.19 0.41 0.00 -0.52 0.00 0.00 52.55 52.16 3ce6 s ASP 145 Cb 0.14 -2.29 2.23 0.00 -1.46 0.00 0.00 42.92 41.54 3ce6 s ASP 145 CO 0.83 -0.60 2.25 1.55 0.52 0.00 0.00 175.17 179.73 3ce6 h PRO 146 N 8.62 0.00 -0.00 4.34 0.13 -2.02 0.33 132.00 143.40 3ce6 h PRO 146 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3ce6 h PRO 146 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3ce6 h PRO 146 CO 0.82 0.00 -0.09 -0.25 -0.23 0.00 0.00 178.00 178.26 3ce6 n ASP 147 N -2.99 0.24 -3.31 1.44 8.00 -1.26 -4.28 116.55 114.38 3ce6 n ASP 147 Ca -0.03 -0.24 -0.25 0.00 0.71 0.00 0.00 54.79 54.98 3ce6 n ASP 147 Cb 0.12 -0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 40.96 3ce6 n ASP 147 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3ce6 n LYS 148 N -1.19 1.24 -1.12 -1.24 5.02 0.11 -5.12 118.16 115.86 3ce6 n LYS 148 Ca 0.13 -3.70 -0.23 0.00 -2.02 0.00 0.00 58.31 52.48 3ce6 n LYS 148 Cb 0.28 -1.61 0.18 0.00 -0.02 0.00 0.00 35.03 33.86 3ce6 n LYS 148 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3ce6 n PRO 149 N 1.41 -1.94 -1.60 1.97 -0.05 -1.25 -4.62 135.00 128.92 3ce6 n PRO 149 Ca 0.24 -1.48 -0.41 0.00 -0.05 0.00 0.00 63.50 61.81 3ce6 n PRO 149 Cb 0.48 -1.19 0.01 0.00 -0.05 0.00 0.00 33.50 32.76 3ce6 n PRO 149 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3ce6 n ALA 150 N -4.11 0.07 -0.24 0.55 0.00 -1.26 -4.92 120.51 110.59 3ce6 n ALA 150 Ca -0.16 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3ce6 n ALA 150 Cb 0.46 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.84 3ce6 n ALA 150 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3ce6 n ASN 151 N 0.45 0.86 -3.92 0.00 0.23 -0.54 -3.33 115.26 109.01 3ce6 n ASN 151 Ca 0.10 -1.10 -0.08 0.00 -0.53 0.00 0.00 54.58 52.96 3ce6 n ASN 151 Cb 0.40 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.02 3ce6 n ASN 151 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3ce6 s MET 152 N -0.10 0.82 0.00 -3.83 -1.94 -1.07 -0.40 119.30 112.78 3ce6 s MET 152 Ca 0.00 -1.04 0.07 0.00 -1.71 0.00 0.00 55.69 53.00 3ce6 s MET 152 Cb 0.00 0.31 -0.02 0.00 2.01 0.00 0.00 34.83 37.13 3ce6 s MET 152 CO 0.00 -0.24 -0.21 0.42 -0.01 0.00 0.00 175.02 174.98 3ce6 s ILE 153 N -3.89 1.63 -0.25 2.53 1.01 -0.39 -1.36 121.20 120.49 3ce6 s ILE 153 Ca 0.07 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3ce6 s ILE 153 Cb 0.06 -1.38 0.05 0.00 0.01 0.00 0.00 42.46 41.20 3ce6 s ILE 153 CO -0.10 0.38 -0.12 -0.22 0.00 0.00 0.00 174.94 174.88 3ce6 s LEU 154 N -0.71 3.19 0.18 2.97 0.20 -0.39 -1.52 118.68 122.60 3ce6 s LEU 154 Ca 0.08 -1.26 0.09 0.00 0.69 0.00 0.00 54.13 53.72 3ce6 s LEU 154 Cb -0.08 -1.52 -0.04 0.00 -0.43 0.00 0.00 46.19 44.11 3ce6 s LEU 154 CO 0.00 -0.16 -0.19 -0.62 -0.29 0.00 0.00 176.35 175.09 3ce6 s ASP 155 N 1.14 2.81 -0.25 3.68 -1.08 0.27 -0.48 116.67 122.76 3ce6 s ASP 155 Ca -0.07 -0.88 -0.04 0.00 -0.52 0.00 0.00 52.55 51.04 3ce6 s ASP 155 Cb -0.19 -0.17 0.10 0.00 -1.46 0.00 0.00 42.92 41.19 3ce6 s ASP 155 CO -0.06 -0.02 0.16 -0.62 0.52 0.00 0.00 175.17 175.14 3ce6 s ASP 156 N -2.76 2.63 0.00 -0.34 2.15 -0.81 -1.11 116.67 116.43 3ce6 s ASP 156 Ca 0.18 -0.89 0.00 0.00 0.43 0.00 0.00 52.55 52.27 3ce6 s ASP 156 Cb -0.06 -0.07 0.00 0.00 -0.30 0.00 0.00 42.92 42.49 3ce6 s ASP 156 CO 0.07 -0.39 0.00 0.61 -0.17 0.00 0.00 175.17 175.29 3ce6 n GLY 157 N 5.28 1.14 2.08 2.66 0.00 -1.26 -4.61 105.19 110.47 3ce6 n GLY 157 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3ce6 n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ce6 n GLY 158 N -1.63 0.77 0.27 -0.02 0.00 -1.26 -4.15 105.19 99.18 3ce6 n GLY 158 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3ce6 n GLY 158 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ce6 h ASP 159 N 0.00 0.38 -0.25 1.61 3.32 -1.95 0.13 116.42 119.66 3ce6 h ASP 159 Ca 0.00 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 56.92 3ce6 h ASP 159 Cb 0.00 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3ce6 h ASP 159 CO 0.00 0.42 -0.16 0.00 -1.72 0.00 0.00 179.24 177.78 3ce6 h ALA 160 N 1.64 0.36 -0.58 3.45 0.00 -1.93 -2.35 119.26 119.85 3ce6 h ALA 160 Ca 0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 3ce6 h ALA 160 Cb 0.21 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3ce6 h ALA 160 CO 0.00 0.27 0.24 1.15 0.00 0.00 0.00 179.25 180.91 3ce6 h THR 161 N 0.28 1.22 -0.65 0.00 2.02 -1.93 -2.31 112.91 111.54 3ce6 h THR 161 Ca 0.05 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 3ce6 h THR 161 Cb 0.69 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 3ce6 h THR 161 CO 0.05 0.27 0.14 -0.03 0.37 0.00 0.00 175.52 176.32 3ce6 h MET 162 N 0.80 1.04 -0.22 6.66 -1.53 -0.63 -1.34 114.93 119.71 3ce6 h MET 162 Ca 0.20 -0.26 -0.01 0.00 -3.44 0.00 0.00 59.70 56.18 3ce6 h MET 162 Cb 0.18 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.09 3ce6 h MET 162 CO -0.02 0.95 0.09 1.25 0.14 0.00 0.00 176.91 179.31 3ce6 h LEU 163 N 0.96 0.31 0.67 3.39 5.85 -1.33 0.16 115.31 125.33 3ce6 h LEU 163 Ca 0.20 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3ce6 h LEU 163 Cb 0.38 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3ce6 h LEU 163 CO 0.00 0.39 -0.43 0.58 -0.34 0.00 0.00 178.44 178.65 3ce6 h VAL 164 N 0.20 0.00 -0.24 1.05 2.07 -1.32 -1.59 116.25 116.43 3ce6 h VAL 164 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.56 3ce6 h VAL 164 Cb 0.19 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.95 3ce6 h VAL 164 CO -0.01 0.00 0.03 -0.07 0.02 0.00 0.00 177.57 177.55 3ce6 h LEU 165 N -1.04 0.38 -0.61 2.57 3.38 -1.21 0.46 115.31 119.24 3ce6 h LEU 165 Ca -0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3ce6 h LEU 165 Cb 0.84 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 3ce6 h LEU 165 CO 0.08 0.55 0.31 0.03 0.09 0.00 0.00 178.44 179.51 3ce6 h ARG 166 N 0.20 0.86 -0.38 1.13 2.47 -0.81 -1.07 114.38 116.78 3ce6 h ARG 166 Ca 0.07 -0.11 0.03 0.00 -1.26 0.00 0.00 59.98 58.71 3ce6 h ARG 166 Cb 0.34 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 3ce6 h ARG 166 CO 0.01 0.68 0.18 0.78 0.56 0.00 0.00 179.97 182.18 3ce6 h GLY 167 N 0.83 0.51 0.92 0.04 0.00 -1.05 0.16 103.07 104.49 3ce6 h GLY 167 Ca 0.21 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3ce6 h GLY 167 CO -0.03 0.09 0.12 1.98 0.00 0.00 0.00 176.54 178.71 3ce6 h MET 168 N 0.38 0.40 -0.45 4.80 1.85 -0.86 -1.96 114.93 119.09 3ce6 h MET 168 Ca 0.16 -0.06 0.09 0.00 -0.61 0.00 0.00 59.70 59.28 3ce6 h MET 168 Cb 0.07 -0.07 -0.09 0.00 0.43 0.00 0.00 31.60 31.94 3ce6 h MET 168 CO -0.12 0.40 -0.18 0.37 -0.40 0.00 0.00 176.91 176.98 3ce6 h GLN 169 N 0.30 -0.09 -0.53 0.39 4.15 -0.43 -0.65 115.11 118.26 3ce6 h GLN 169 Ca 0.09 0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.43 3ce6 h GLN 169 Cb 0.14 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.83 3ce6 h GLN 169 CO -0.01 -0.06 -0.03 1.88 -1.93 0.00 0.00 178.83 178.68 3ce6 h TYR 170 N -0.09 1.00 -0.87 3.99 0.05 -0.61 -1.89 116.97 118.55 3ce6 h TYR 170 Ca 0.21 -0.17 0.06 0.00 0.05 0.00 0.00 58.73 58.88 3ce6 h TYR 170 Cb 0.42 -0.26 -0.06 0.00 1.01 0.00 0.00 36.73 37.84 3ce6 h TYR 170 CO -0.45 0.92 0.55 0.93 -1.05 0.00 0.00 178.16 179.06 3ce6 h GLU 171 N 0.84 0.98 0.00 4.88 5.08 -0.88 -1.05 114.58 124.43 3ce6 h GLU 171 Ca 0.15 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 3ce6 h GLU 171 Cb 0.55 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3ce6 h GLU 171 CO 0.03 0.65 -0.58 0.87 -1.00 0.00 0.00 179.01 178.98 3ce6 h LYS 172 N 1.01 0.00 0.00 2.33 1.57 -0.99 -2.39 116.57 118.10 3ce6 h LYS 172 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 3ce6 h LYS 172 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3ce6 h LYS 172 CO -0.16 0.58 0.00 0.00 -0.57 0.00 0.00 179.45 179.30 3ce6 n ALA 173 N -2.29 2.13 -0.95 3.86 0.00 -0.72 -4.91 120.51 117.63 3ce6 n ALA 173 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3ce6 n ALA 173 Cb 0.70 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3ce6 n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ce6 n GLY 174 N 1.02 0.50 3.34 0.00 0.00 -0.45 -5.01 105.19 104.59 3ce6 n GLY 174 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 3ce6 n GLY 174 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ce6 s VAL 175 N -2.29 0.03 -0.19 1.61 0.11 -0.87 -5.00 120.40 113.80 3ce6 s VAL 175 Ca 0.00 -0.22 -0.16 0.00 -2.93 0.00 0.00 61.98 58.67 3ce6 s VAL 175 Cb 0.00 -0.71 -0.04 0.00 -1.53 0.00 0.00 36.38 34.10 3ce6 s VAL 175 CO 0.00 -0.12 0.42 -0.69 -3.33 0.00 0.00 175.10 171.38 3ce6 s VAL 176 N -0.80 5.19 0.48 2.04 1.01 -1.26 -4.64 120.40 122.43 3ce6 s VAL 176 Ca -0.09 0.77 -0.22 0.00 0.00 0.00 0.00 61.98 62.44 3ce6 s VAL 176 Cb -0.03 -3.75 -0.07 0.00 0.00 0.00 0.00 36.38 32.52 3ce6 s VAL 176 CO 0.04 0.26 1.16 -2.16 0.00 0.00 0.00 175.10 174.41 3ce6 s PRO 177 N 1.21 3.63 0.77 2.72 0.04 -1.26 -4.98 135.00 137.13 3ce6 s PRO 177 Ca 0.21 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 62.86 3ce6 s PRO 177 Cb -0.15 -2.30 0.06 0.00 0.04 0.00 0.00 34.50 32.15 3ce6 s PRO 177 CO 0.08 -0.65 1.23 -1.25 0.04 0.00 0.00 177.00 176.45 3ce6 s PRO 178 N -2.85 1.84 0.31 0.56 0.04 -1.26 -5.01 135.00 128.63 3ce6 s PRO 178 Ca 0.66 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 63.38 3ce6 s PRO 178 Cb -0.28 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 3ce6 s PRO 178 CO 0.33 -2.08 0.74 0.00 0.04 0.00 0.00 177.00 176.03 3ce6 s ALA 179 N -1.96 3.33 0.27 8.56 0.00 -1.26 -5.07 121.76 125.62 3ce6 s ALA 179 Ca 0.76 0.07 -0.29 0.00 0.00 0.00 0.00 51.96 52.49 3ce6 s ALA 179 Cb -0.31 -2.78 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 3ce6 s ALA 179 CO 0.48 0.33 0.95 -1.21 0.00 0.00 0.00 175.76 176.31 3ce6 s GLU 180 N -2.84 4.77 0.51 0.00 2.02 -1.26 -4.96 118.70 116.94 3ce6 s GLU 180 Ca 0.53 1.46 0.40 0.00 0.02 0.00 0.00 54.97 57.38 3ce6 s GLU 180 Cb -0.11 -3.14 1.59 0.00 0.10 0.00 0.00 34.13 32.56 3ce6 s GLU 180 CO 0.18 0.44 1.63 1.05 0.02 0.00 0.00 175.26 178.57 3ce6 h GLU 181 N 3.86 0.03 -0.17 1.61 4.11 -2.01 -1.19 114.58 120.83 3ce6 h GLU 181 Ca -0.46 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3ce6 h GLU 181 Cb 1.20 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3ce6 h GLU 181 CO 0.67 0.02 0.00 -0.40 0.07 0.00 0.00 179.01 179.37 3ce6 n ASP 182 N -4.28 2.45 -4.72 3.06 5.75 -1.26 -4.95 116.55 112.61 3ce6 n ASP 182 Ca 0.39 -2.00 -0.36 0.00 -0.01 0.00 0.00 54.79 52.81 3ce6 n ASP 182 Cb 1.67 -0.11 0.09 0.00 -1.03 0.00 0.00 41.12 41.73 3ce6 n ASP 182 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 3ce6 s ASP 183 N -1.00 4.20 0.63 -1.12 1.01 -0.45 -5.00 116.67 114.94 3ce6 s ASP 183 Ca 0.11 2.55 -0.18 0.00 0.71 0.00 0.00 52.55 55.74 3ce6 s ASP 183 Cb 0.06 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.36 3ce6 s ASP 183 CO 0.08 -2.27 1.24 -2.84 0.21 0.00 0.00 175.17 171.58 3ce6 s PRO 184 N -3.65 2.72 0.36 8.23 0.02 -1.26 -4.85 135.00 136.56 3ce6 s PRO 184 Ca 0.80 1.89 0.10 0.00 0.02 0.00 0.00 61.00 63.81 3ce6 s PRO 184 Cb -0.35 -1.89 0.85 0.00 0.02 0.00 0.00 34.50 33.13 3ce6 s PRO 184 CO 0.44 -1.42 1.85 0.00 -0.33 0.00 0.00 177.00 177.53 3ce6 h ALA 185 N 0.60 1.87 0.05 -1.55 0.00 -1.96 -1.64 119.26 116.63 3ce6 h ALA 185 Ca -0.50 0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.21 3ce6 h ALA 185 Cb 1.31 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3ce6 h ALA 185 CO 0.54 -0.15 -1.04 1.49 0.00 0.00 0.00 179.25 180.09 3ce6 h GLU 186 N 0.66 0.16 -0.75 0.00 4.81 -2.00 -2.58 114.58 114.88 3ce6 h GLU 186 Ca 0.48 -0.23 0.12 0.00 -0.13 0.00 0.00 59.36 59.59 3ce6 h GLU 186 Cb 0.84 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.21 3ce6 h GLU 186 CO -0.23 1.06 0.34 2.35 -0.73 0.00 0.00 179.01 181.80 3ce6 h TRP 187 N 0.06 0.60 -0.75 0.92 2.91 -1.68 -0.97 115.95 117.04 3ce6 h TRP 187 Ca -0.06 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.99 3ce6 h TRP 187 Cb 1.75 -0.16 -0.04 0.00 -0.51 0.00 0.00 29.16 30.21 3ce6 h TRP 187 CO 0.03 0.16 0.49 0.87 -1.03 0.00 0.00 178.44 178.95 3ce6 h LYS 188 N 0.54 1.00 -0.37 2.65 1.57 -1.26 0.38 116.57 121.08 3ce6 h LYS 188 Ca 0.39 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3ce6 h LYS 188 Cb 0.51 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3ce6 h LYS 188 CO -0.33 0.68 0.24 0.28 -0.57 0.00 0.00 179.45 179.75 3ce6 h VAL 189 N 1.02 1.10 0.31 0.50 2.07 -1.16 0.11 116.25 120.20 3ce6 h VAL 189 Ca 0.27 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3ce6 h VAL 189 Cb -0.09 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3ce6 h VAL 189 CO -0.06 0.09 -0.24 0.15 0.02 0.00 0.00 177.57 177.54 3ce6 h PHE 190 N 0.50 -0.62 -0.34 1.57 3.57 -1.02 -0.95 116.94 119.65 3ce6 h PHE 190 Ca 0.14 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 3ce6 h PHE 190 Cb -0.06 0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3ce6 h PHE 190 CO -0.05 -0.36 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.56 3ce6 h LEU 191 N -0.55 0.52 -0.97 0.59 3.38 -0.79 -2.76 115.31 114.73 3ce6 h LEU 191 Ca -0.02 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3ce6 h LEU 191 Cb 0.48 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3ce6 h LEU 191 CO -0.01 0.62 0.51 0.78 0.09 0.00 0.00 178.44 180.44 3ce6 h ASN 192 N 0.52 1.09 -0.17 -0.43 2.35 -0.47 0.36 115.58 118.82 3ce6 h ASN 192 Ca 0.10 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 3ce6 h ASN 192 Cb 0.40 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 3ce6 h ASN 192 CO 0.02 0.86 0.03 0.25 -1.65 0.00 0.00 177.43 176.94 3ce6 h LEU 193 N 1.24 0.00 -0.34 1.61 6.46 -0.94 -1.80 115.31 121.54 3ce6 h LEU 193 Ca 0.32 0.03 -0.18 0.00 -0.12 0.00 0.00 57.88 57.92 3ce6 h LEU 193 Cb -0.01 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 39.95 3ce6 h LEU 193 CO -0.06 0.03 -0.58 -0.07 -0.62 0.00 0.00 178.44 177.15 3ce6 h LEU 194 N 0.10 0.87 -0.43 2.25 3.38 -1.22 -1.99 115.31 118.27 3ce6 h LEU 194 Ca 0.08 -0.48 -0.10 0.00 0.09 0.00 0.00 57.88 57.47 3ce6 h LEU 194 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3ce6 h LEU 194 CO -0.11 1.26 -0.11 -0.09 0.09 0.00 0.00 178.44 179.48 3ce6 h ARG 195 N 0.59 0.84 -0.53 1.13 2.43 -0.86 -0.70 114.38 117.28 3ce6 h ARG 195 Ca 0.00 -0.33 -0.02 0.00 -0.81 0.00 0.00 59.98 58.83 3ce6 h ARG 195 Cb 1.17 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.65 3ce6 h ARG 195 CO 0.12 0.96 0.27 1.15 -1.51 0.00 0.00 179.97 180.95 3ce6 h THR 196 N 0.67 1.19 -0.33 0.20 2.02 -1.33 -3.01 112.91 112.32 3ce6 h THR 196 Ca 0.11 -0.52 -0.15 0.00 0.77 0.00 0.00 66.41 66.62 3ce6 h THR 196 Cb 0.65 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3ce6 h THR 196 CO 0.04 0.21 -0.40 -0.09 0.37 0.00 0.00 175.52 175.65 3ce6 h ARG 197 N 0.70 0.80 0.00 6.66 9.65 -1.28 -2.92 114.38 128.00 3ce6 h ARG 197 Ca 0.18 -0.42 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 3ce6 h ARG 197 Cb 0.09 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3ce6 h ARG 197 CO -0.03 1.05 0.00 0.35 2.80 0.00 0.00 179.97 184.15 3ce6 h PHE 198 N 0.65 0.00 -0.10 2.20 3.57 -1.05 -0.48 116.94 121.73 3ce6 h PHE 198 Ca 0.05 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.44 3ce6 h PHE 198 Cb 0.97 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.70 3ce6 h PHE 198 CO 0.05 0.00 -0.41 0.93 -2.23 0.00 0.00 178.31 176.65 3ce6 h GLU 199 N 0.00 0.23 -0.00 1.11 5.08 -1.38 -3.35 114.58 116.27 3ce6 h GLU 199 Ca 0.00 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3ce6 h GLU 199 Cb 0.14 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3ce6 h GLU 199 CO 0.00 0.61 -0.20 0.25 -1.00 0.00 0.00 179.01 178.67 3ce6 n THR 200 N -4.03 0.00 -3.36 1.13 -2.24 -0.58 -4.96 114.28 100.24 3ce6 n THR 200 Ca -0.01 -0.40 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 3ce6 n THR 200 Cb 0.48 1.00 -0.08 0.00 -2.10 0.00 0.00 70.33 69.63 3ce6 n THR 200 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3ce6 s ASP 201 N -1.38 0.47 0.09 3.42 -1.08 -0.29 -5.07 116.67 112.82 3ce6 s ASP 201 Ca 0.02 0.05 0.24 0.00 -0.52 0.00 0.00 52.55 52.34 3ce6 s ASP 201 Cb 0.03 1.00 0.37 0.00 -1.46 0.00 0.00 42.92 42.86 3ce6 s ASP 201 CO 0.18 -0.31 1.33 0.29 0.52 0.00 0.00 175.17 177.17 3ce6 n LYS 202 N 5.36 0.23 -0.58 4.34 4.76 -1.26 -4.01 118.16 127.00 3ce6 n LYS 202 Ca -0.03 0.06 0.03 0.00 -2.87 0.00 0.00 58.31 55.50 3ce6 n LYS 202 Cb 0.50 -1.64 0.04 0.00 -1.84 0.00 0.00 35.03 32.08 3ce6 n LYS 202 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3ce6 n ASP 203 N -1.98 0.66 0.06 4.39 5.75 -1.26 -4.81 116.55 119.36 3ce6 n ASP 203 Ca 0.04 -2.28 -0.13 0.00 -0.01 0.00 0.00 54.79 52.41 3ce6 n ASP 203 Cb 0.42 -0.27 -0.06 0.00 -1.03 0.00 0.00 41.12 40.18 3ce6 n ASP 203 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3ce6 h LYS 204 N 0.20 -0.50 -0.12 0.11 3.64 -1.97 -0.75 116.57 117.18 3ce6 h LYS 204 Ca -0.04 0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 3ce6 h LYS 204 Cb 1.39 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.31 3ce6 h LYS 204 CO 0.02 -0.33 -0.60 -1.49 -2.27 0.00 0.00 179.45 174.77 3ce6 h TRP 205 N -0.52 0.51 -0.55 1.91 4.06 -1.90 -1.34 115.95 118.12 3ce6 h TRP 205 Ca 0.06 -0.19 0.02 0.00 2.06 0.00 0.00 58.89 60.83 3ce6 h TRP 205 Cb 0.60 -0.09 -0.03 0.00 -1.00 0.00 0.00 29.16 28.64 3ce6 h TRP 205 CO -0.37 0.90 0.34 1.15 -3.56 0.00 0.00 178.44 176.90 3ce6 h THR 206 N 0.30 1.08 -0.45 1.49 2.02 -1.83 0.20 112.91 115.71 3ce6 h THR 206 Ca -0.01 -0.23 -0.06 0.00 0.77 0.00 0.00 66.41 66.88 3ce6 h THR 206 Cb 1.14 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 3ce6 h THR 206 CO 0.10 0.12 0.04 0.11 0.37 0.00 0.00 175.52 176.26 3ce6 h LYS 207 N 0.68 0.77 -0.30 6.66 1.79 -0.83 -1.35 116.57 124.00 3ce6 h LYS 207 Ca 0.22 -0.23 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 3ce6 h LYS 207 Cb -0.00 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.55 3ce6 h LYS 207 CO -0.09 0.81 0.19 0.82 -1.08 0.00 0.00 179.45 180.10 3ce6 h ILE 208 N 0.62 1.06 -0.94 1.86 2.04 -0.97 -1.70 117.51 119.48 3ce6 h ILE 208 Ca 0.13 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.87 3ce6 h ILE 208 Cb 0.44 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 3ce6 h ILE 208 CO 0.02 0.07 0.61 0.00 0.00 0.00 0.00 178.15 178.84 3ce6 h ALA 209 N 1.12 1.19 -0.25 1.87 0.00 -0.91 0.32 119.26 122.60 3ce6 h ALA 209 Ca 0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3ce6 h ALA 209 Cb -0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3ce6 h ALA 209 CO -0.04 0.60 -0.07 1.49 0.00 0.00 0.00 179.25 181.24 3ce6 h GLU 210 N 1.27 0.38 0.09 0.00 4.22 -1.13 -3.18 114.58 116.24 3ce6 h GLU 210 Ca 0.34 -0.08 -0.28 0.00 0.08 0.00 0.00 59.36 59.42 3ce6 h GLU 210 Cb -0.13 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 3ce6 h GLU 210 CO -0.07 0.47 -1.34 1.03 -2.18 0.00 0.00 179.01 176.92 3ce6 h SER 211 N 0.37 0.30 -2.50 1.04 0.87 -0.08 -3.45 113.55 110.10 3ce6 h SER 211 Ca 0.08 -0.37 -0.53 0.00 -1.23 0.00 0.00 61.79 59.73 3ce6 h SER 211 Cb 0.35 -0.10 0.02 0.00 -0.44 0.00 0.00 62.40 62.23 3ce6 h SER 211 CO 0.02 1.30 1.14 -0.69 -0.53 0.00 0.00 176.83 178.07 3ce6 s VAL 212 N -2.65 3.02 -0.93 2.23 1.01 0.93 -4.35 120.40 119.66 3ce6 s VAL 212 Ca -0.05 0.23 0.23 0.00 0.00 0.00 0.00 61.98 62.39 3ce6 s VAL 212 Cb 0.08 -3.15 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 3ce6 s VAL 212 CO 0.86 -0.01 1.15 0.29 0.00 0.00 0.00 175.10 177.39 3ce6 n LYS 213 N 6.74 0.05 0.00 2.72 5.02 0.46 -4.82 118.16 128.34 3ce6 n LYS 213 Ca 0.18 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 3ce6 n LYS 213 Cb 0.41 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3ce6 n LYS 213 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ce6 n GLY 214 N 1.48 1.01 3.13 0.72 0.00 -1.26 -4.24 105.19 106.02 3ce6 n GLY 214 Ca 0.04 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 3ce6 n GLY 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ce6 s VAL 215 N -2.00 1.15 -0.09 1.61 0.11 -0.57 -1.26 120.40 119.34 3ce6 s VAL 215 Ca 0.00 -0.73 -0.01 0.00 -2.93 0.00 0.00 61.98 58.31 3ce6 s VAL 215 Cb 0.00 -0.98 -0.03 0.00 -1.53 0.00 0.00 36.38 33.84 3ce6 s VAL 215 CO 0.00 0.24 -0.04 0.42 -3.33 0.00 0.00 175.10 172.39 3ce6 s THR 216 N -0.48 3.93 -0.11 5.04 -4.23 -0.58 -0.96 115.64 118.26 3ce6 s THR 216 Ca 0.05 -0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.20 3ce6 s THR 216 Cb -0.06 -2.65 0.01 0.00 1.34 0.00 0.00 72.50 71.14 3ce6 s THR 216 CO -0.00 0.58 -0.16 -0.70 -0.54 0.00 0.00 174.62 173.79 3ce6 s GLU 217 N -0.57 2.31 0.11 3.99 2.56 -0.14 -0.56 118.70 126.40 3ce6 s GLU 217 Ca 0.09 -0.60 0.20 0.00 0.00 0.00 0.00 54.97 54.66 3ce6 s GLU 217 Cb -0.12 -1.93 -0.09 0.00 2.00 0.00 0.00 34.13 33.99 3ce6 s GLU 217 CO 0.02 -0.03 0.88 -1.91 -0.56 0.00 0.00 175.26 173.66 3ce6 n GLU 218 N 4.11 0.62 -4.15 4.30 0.00 -0.27 -0.29 120.64 124.96 3ce6 n GLU 218 Ca -0.19 0.14 -0.15 0.00 0.00 0.00 0.00 57.16 56.95 3ce6 n GLU 218 Cb 0.51 -1.79 -0.11 0.00 0.00 0.00 0.00 31.44 30.05 3ce6 n GLU 218 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 3ce6 s THR 219 N -3.16 0.93 0.22 6.31 -1.32 -1.26 -3.52 115.64 113.83 3ce6 s THR 219 Ca -0.02 -1.43 -0.11 0.00 -1.21 0.00 0.00 61.69 58.92 3ce6 s THR 219 Cb 0.09 -1.12 0.22 0.00 -1.51 0.00 0.00 72.50 70.18 3ce6 s THR 219 CO 0.81 -0.41 1.65 0.74 -2.21 0.00 0.00 174.62 175.20 3ce6 h THR 220 N 3.98 0.43 -0.76 5.08 2.02 -1.94 -1.16 112.91 120.56 3ce6 h THR 220 Ca -0.38 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 3ce6 h THR 220 Cb 1.19 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.91 3ce6 h THR 220 CO 0.46 0.02 0.35 0.74 0.37 0.00 0.00 175.52 177.46 3ce6 h THR 221 N 0.09 1.25 -0.83 3.16 2.02 -1.94 -1.49 112.91 115.16 3ce6 h THR 221 Ca 0.34 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 3ce6 h THR 221 Cb 0.55 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 3ce6 h THR 221 CO -0.58 0.30 0.47 1.23 0.37 0.00 0.00 175.52 177.30 3ce6 h GLY 222 N 1.07 1.23 1.49 2.16 0.00 -1.44 -2.80 103.07 104.78 3ce6 h GLY 222 Ca 0.26 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 3ce6 h GLY 222 CO -0.03 0.53 -0.16 -2.08 0.00 0.00 0.00 176.54 174.79 3ce6 h VAL 223 N 1.15 1.25 -1.00 4.60 2.07 -0.67 -0.77 116.25 122.89 3ce6 h VAL 223 Ca 0.29 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.66 3ce6 h VAL 223 Cb 0.01 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 3ce6 h VAL 223 CO -0.05 0.38 0.66 0.25 0.02 0.00 0.00 177.57 178.83 3ce6 h LEU 224 N 0.55 1.14 -0.77 2.57 5.85 -1.09 0.60 115.31 124.16 3ce6 h LEU 224 Ca 0.09 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 3ce6 h LEU 224 Cb 0.59 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3ce6 h LEU 224 CO 0.04 0.82 -0.61 0.03 -0.34 0.00 0.00 178.44 178.38 3ce6 h ARG 225 N 1.34 0.00 -0.18 1.25 3.08 -1.17 -0.60 114.38 118.10 3ce6 h ARG 225 Ca 0.37 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.37 3ce6 h ARG 225 Cb -0.14 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 3ce6 h ARG 225 CO -0.08 0.61 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.27 3ce6 h LEU 226 N 0.00 0.39 -1.25 3.04 3.38 -0.00 0.51 115.31 121.38 3ce6 h LEU 226 Ca -0.01 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 3ce6 h LEU 226 Cb 1.09 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 3ce6 h LEU 226 CO 0.08 0.72 0.40 1.88 0.09 0.00 0.00 178.44 181.61 3ce6 h TYR 227 N 0.06 0.88 -0.58 1.13 0.05 -0.54 0.35 116.97 118.33 3ce6 h TYR 227 Ca 0.04 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.75 3ce6 h TYR 227 Cb 0.58 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 3ce6 h TYR 227 CO 0.07 0.59 0.08 1.96 -1.05 0.00 0.00 178.16 179.80 3ce6 h GLN 228 N 0.93 0.97 -0.36 4.88 4.20 -0.77 0.10 115.11 125.05 3ce6 h GLN 228 Ca 0.24 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3ce6 h GLN 228 Cb -0.03 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3ce6 h GLN 228 CO -0.04 0.93 0.16 0.74 -0.67 0.00 0.00 178.83 179.94 3ce6 h PHE 229 N 0.87 0.54 -0.72 2.96 0.04 -0.52 -2.17 116.94 117.94 3ce6 h PHE 229 Ca 0.17 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.89 3ce6 h PHE 229 Cb 0.45 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.40 3ce6 h PHE 229 CO 0.03 0.48 0.39 0.00 -0.60 0.00 0.00 178.31 178.61 3ce6 h ALA 230 N 1.00 0.92 -0.44 2.45 0.00 -0.76 0.39 119.26 122.83 3ce6 h ALA 230 Ca 0.12 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3ce6 h ALA 230 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3ce6 h ALA 230 CO -0.01 0.44 -0.04 0.00 0.00 0.00 0.00 179.25 179.64 3ce6 h ALA 231 N 1.19 1.10 0.00 0.00 0.00 -0.72 -2.30 119.26 118.53 3ce6 h ALA 231 Ca 0.25 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3ce6 h ALA 231 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3ce6 h ALA 231 CO -0.04 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.78 3ce6 n ALA 232 N -2.48 1.82 -1.26 0.00 0.00 -0.82 -4.89 120.51 112.88 3ce6 n ALA 232 Ca 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 3ce6 n ALA 232 Cb 0.31 -1.24 -0.01 0.00 0.00 0.00 0.00 19.45 18.51 3ce6 n ALA 232 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ce6 n GLY 233 N 0.00 0.60 0.22 0.00 0.00 -0.87 -4.97 105.19 100.17 3ce6 n GLY 233 Ca 0.07 -0.88 0.02 0.00 0.00 0.00 0.00 46.02 45.23 3ce6 n GLY 233 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ce6 n ASP 234 N 1.39 1.95 -4.57 1.61 8.00 0.09 -4.90 116.55 120.12 3ce6 n ASP 234 Ca -0.04 -1.67 -0.42 0.00 0.71 0.00 0.00 54.79 53.37 3ce6 n ASP 234 Cb 0.19 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 3ce6 n ASP 234 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ce6 s LEU 235 N -0.74 3.58 0.02 0.64 2.96 -1.20 -4.89 118.68 119.05 3ce6 s LEU 235 Ca 0.07 0.03 0.28 0.00 -0.22 0.00 0.00 54.13 54.29 3ce6 s LEU 235 Cb 0.04 -3.11 1.00 0.00 0.50 0.00 0.00 46.19 44.62 3ce6 s LEU 235 CO 0.06 -1.43 1.77 0.00 -1.32 0.00 0.00 176.35 175.43 3ce6 n ALA 236 N 8.25 2.65 -3.02 5.97 0.00 -1.26 -4.83 120.51 128.26 3ce6 n ALA 236 Ca 0.07 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 3ce6 n ALA 236 Cb 0.49 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 3ce6 n ALA 236 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 3ce6 s PHE 237 N -3.01 0.09 0.69 0.00 -0.12 -1.26 -4.98 117.98 109.38 3ce6 s PHE 237 Ca 0.13 -0.45 -0.15 0.00 -0.05 0.00 0.00 56.93 56.41 3ce6 s PHE 237 Cb 0.18 0.19 0.02 0.00 -0.63 0.00 0.00 43.02 42.77 3ce6 s PHE 237 CO 0.58 -0.81 1.14 -2.14 -0.05 0.00 0.00 175.22 173.94 3ce6 s PRO 238 N -3.91 2.56 0.01 1.99 0.02 -1.26 -4.47 135.00 129.94 3ce6 s PRO 238 Ca 0.12 1.50 0.02 0.00 0.02 0.00 0.00 61.00 62.66 3ce6 s PRO 238 Cb 0.01 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.61 3ce6 s PRO 238 CO -0.03 -1.46 -0.08 0.00 -0.33 0.00 0.00 177.00 175.11 3ce6 s ALA 239 N -2.25 0.61 -0.18 -1.55 0.00 -0.48 -1.51 121.76 116.40 3ce6 s ALA 239 Ca 0.69 -0.48 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 3ce6 s ALA 239 Cb -0.23 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 3ce6 s ALA 239 CO 0.43 0.10 -0.07 0.42 0.00 0.00 0.00 175.76 176.64 3ce6 s ILE 240 N -0.59 3.34 -0.65 0.00 1.01 -0.13 -1.01 121.20 123.17 3ce6 s ILE 240 Ca -0.01 -0.53 -0.28 0.00 0.00 0.00 0.00 60.65 59.83 3ce6 s ILE 240 Cb -0.05 -2.48 0.03 0.00 0.01 0.00 0.00 42.46 39.97 3ce6 s ILE 240 CO 0.00 0.47 1.24 0.21 0.00 0.00 0.00 174.94 176.86 3ce6 s ASN 241 N 0.97 6.31 -0.03 3.58 3.84 0.29 -0.97 114.94 128.93 3ce6 s ASN 241 Ca -0.01 -0.12 0.03 0.00 0.21 0.00 0.00 52.86 52.98 3ce6 s ASN 241 Cb -0.15 -2.56 -0.25 0.00 -0.55 0.00 0.00 41.25 37.75 3ce6 s ASN 241 CO 0.00 -1.64 0.71 0.58 -2.79 0.00 0.00 177.10 173.96 3ce6 h VAL 242 N 6.11 0.96 -0.96 -5.21 2.07 -0.95 -3.33 116.25 114.95 3ce6 h VAL 242 Ca -0.26 -2.71 0.27 0.00 0.82 0.00 0.00 66.70 64.82 3ce6 h VAL 242 Cb 1.06 2.58 -0.14 0.00 -1.52 0.00 0.00 31.29 33.26 3ce6 h VAL 242 CO 1.23 0.72 0.47 -1.13 0.02 0.00 0.00 177.57 178.88 3ce6 h ASN 243 N 0.04 0.40 -0.37 0.57 -0.73 -1.55 -1.62 115.58 112.33 3ce6 h ASN 243 Ca -0.28 0.18 0.00 0.00 1.87 0.00 0.00 56.30 58.07 3ce6 h ASN 243 Cb 2.00 0.15 0.00 0.00 0.27 0.00 0.00 38.32 40.74 3ce6 h ASN 243 CO 0.11 -0.08 0.00 0.47 -0.37 0.00 0.00 177.43 177.57 3ce6 n ASP 244 N -5.06 2.51 -4.56 1.15 8.00 -1.25 -1.31 116.55 116.03 3ce6 n ASP 244 Ca 0.27 -1.91 -0.48 0.00 0.71 0.00 0.00 54.79 53.39 3ce6 n ASP 244 Cb 0.83 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 41.65 3ce6 n ASP 244 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3ce6 n SER 245 N 0.87 0.94 -0.28 -2.24 7.64 -0.61 -4.87 113.62 115.07 3ce6 n SER 245 Ca 0.17 1.15 -0.02 0.00 1.01 0.00 0.00 58.87 61.18 3ce6 n SER 245 Cb 0.43 -1.19 0.10 0.00 -1.01 0.00 0.00 64.21 62.54 3ce6 n SER 245 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3ce6 h VAL 246 N 2.24 1.08 0.00 0.44 2.07 -1.89 -0.35 116.25 119.84 3ce6 h VAL 246 Ca -0.40 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3ce6 h VAL 246 Cb 1.36 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 3ce6 h VAL 246 CO 0.65 0.17 0.00 0.35 0.02 0.00 0.00 177.57 178.76 3ce6 n THR 247 N -4.64 0.00 0.00 2.57 -2.24 -1.26 -2.84 114.28 105.87 3ce6 n THR 247 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 3ce6 n THR 247 Cb 0.11 -0.49 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 3ce6 n THR 247 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3ce6 n LYS 248 N -0.90 0.00 -0.29 -0.78 0.00 -0.19 -4.31 118.16 111.69 3ce6 n LYS 248 Ca 0.16 0.00 0.10 0.00 0.00 0.00 0.00 58.31 58.57 3ce6 n LYS 248 Cb 0.07 -0.21 0.26 0.00 0.00 0.00 0.00 35.03 35.15 3ce6 n LYS 248 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 3ce6 h SER 249 N 0.00 0.28 0.31 3.14 4.64 -0.61 0.21 113.55 121.52 3ce6 h SER 249 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3ce6 h SER 249 Cb 0.00 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3ce6 h SER 249 CO 0.00 0.03 -0.17 0.29 -0.87 0.00 0.00 176.83 176.11 3ce6 n LYS 250 N -5.04 0.76 0.04 4.77 4.76 -1.13 -3.15 118.16 119.17 3ce6 n LYS 250 Ca 0.19 -0.35 -0.00 0.00 -2.87 0.00 0.00 58.31 55.27 3ce6 n LYS 250 Cb 0.56 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 32.25 3ce6 n LYS 250 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3ce6 n PHE 251 N -0.81 0.00 0.42 2.13 3.72 -0.50 -4.49 117.46 117.92 3ce6 n PHE 251 Ca 0.13 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.34 3ce6 n PHE 251 Cb 0.31 -0.01 -0.10 0.00 -0.94 0.00 0.00 39.48 38.74 3ce6 n PHE 251 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 176.76 176.93 3ce6 h ASP 252 N -0.01 -1.25 -0.28 4.37 1.82 -0.83 0.38 116.42 120.61 3ce6 h ASP 252 Ca 0.00 0.07 -0.04 0.00 -0.39 0.00 0.00 57.03 56.68 3ce6 h ASP 252 Cb 0.01 0.37 -0.02 0.00 0.68 0.00 0.00 39.33 40.38 3ce6 h ASP 252 CO 0.00 -0.74 0.07 0.78 -1.61 0.00 0.00 179.24 177.74 3ce6 h ASN 253 N -1.18 0.49 0.00 2.28 4.21 -1.53 -1.46 115.58 118.40 3ce6 h ASN 253 Ca -0.10 -0.07 0.00 0.00 1.21 0.00 0.00 56.30 57.34 3ce6 h ASN 253 Cb 0.95 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 38.03 3ce6 h ASN 253 CO 0.09 0.51 -0.10 0.50 -1.29 0.00 0.00 177.43 177.14 3ce6 h LYS 254 N 0.52 0.00 -0.01 0.81 3.64 -1.60 -3.23 116.57 116.70 3ce6 h LYS 254 Ca 0.12 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 3ce6 h LYS 254 Cb 0.23 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 3ce6 h LYS 254 CO -0.00 0.00 -0.66 1.88 -2.27 0.00 0.00 179.45 178.40 3ce6 h TYR 255 N -0.24 0.06 -0.16 1.91 0.05 -0.41 -0.69 116.97 117.49 3ce6 h TYR 255 Ca 0.00 -0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.80 3ce6 h TYR 255 Cb 0.10 -0.01 -0.05 0.00 1.01 0.00 0.00 36.73 37.78 3ce6 h TYR 255 CO -0.04 0.69 -0.17 0.78 -1.05 0.00 0.00 178.16 178.37 3ce6 h GLY 256 N 1.89 -0.09 1.26 3.88 0.00 -0.13 -2.60 103.07 107.29 3ce6 h GLY 256 Ca -0.01 0.21 -0.13 0.00 0.00 0.00 0.00 47.33 47.40 3ce6 h GLY 256 CO 0.09 -0.16 -0.28 -0.84 0.00 0.00 0.00 176.54 175.35 3ce6 h THR 257 N -0.20 1.27 -0.98 4.70 2.02 -1.41 0.17 112.91 118.49 3ce6 h THR 257 Ca 0.10 -1.42 0.21 0.00 0.77 0.00 0.00 66.41 66.07 3ce6 h THR 257 Cb 0.35 1.26 -0.09 0.00 -1.74 0.00 0.00 68.15 67.93 3ce6 h THR 257 CO -0.27 0.48 0.62 -0.09 0.37 0.00 0.00 175.52 176.62 3ce6 h ARG 258 N 0.71 0.58 0.06 6.66 2.43 -0.97 -0.79 114.38 123.07 3ce6 h ARG 258 Ca 0.09 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3ce6 h ARG 258 Cb 0.82 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3ce6 h ARG 258 CO 0.07 0.39 -0.03 1.25 -1.51 0.00 0.00 179.97 180.13 3ce6 h HIS 259 N 0.60 -0.08 0.00 2.20 2.76 -0.97 -3.40 115.15 116.26 3ce6 h HIS 259 Ca 0.55 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.72 3ce6 h HIS 259 Cb 1.08 0.03 0.00 0.00 1.55 0.00 0.00 27.41 30.06 3ce6 h HIS 259 CO -0.00 0.50 -0.97 -1.13 -1.30 0.00 0.00 177.93 175.02 3ce6 n SER 260 N -4.79 0.78 0.13 3.26 3.41 -0.03 -3.34 113.62 113.05 3ce6 n SER 260 Ca -0.08 0.24 -0.14 0.00 -0.26 0.00 0.00 58.87 58.64 3ce6 n SER 260 Cb 0.30 0.47 -0.08 0.00 -0.26 0.00 0.00 64.21 64.64 3ce6 n SER 260 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3ce6 h LEU 261 N 0.00 -0.25 -1.08 1.04 5.85 -1.38 -1.32 115.31 118.17 3ce6 h LEU 261 Ca 0.00 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 3ce6 h LEU 261 Cb 0.94 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3ce6 h LEU 261 CO 0.00 -0.03 -0.22 0.16 -0.34 0.00 0.00 178.44 178.01 3ce6 h ILE 262 N -0.47 1.25 -0.47 4.05 -0.00 -1.77 -1.89 117.51 118.20 3ce6 h ILE 262 Ca -0.03 -1.14 0.02 0.00 -0.00 0.00 0.00 64.86 63.70 3ce6 h ILE 262 Cb 0.36 1.33 -0.03 0.00 -0.00 0.00 0.00 36.82 38.47 3ce6 h ILE 262 CO 0.05 0.36 0.29 -0.78 -0.00 0.00 0.00 178.15 178.07 3ce6 h ASP 263 N 0.35 0.48 -0.43 2.16 3.58 -1.53 0.34 116.42 121.36 3ce6 h ASP 263 Ca 0.06 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.48 3ce6 h ASP 263 Cb 0.58 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 3ce6 h ASP 263 CO 0.04 0.34 0.17 1.23 -2.88 0.00 0.00 179.24 178.14 3ce6 h GLY 264 N 0.58 0.70 1.58 -0.78 0.00 -0.69 -0.81 103.07 103.65 3ce6 h GLY 264 Ca 0.19 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 46.99 3ce6 h GLY 264 CO -0.07 0.36 -0.53 -2.22 0.00 0.00 0.00 176.54 174.07 3ce6 h ILE 265 N 0.56 1.33 0.08 2.60 2.04 -0.93 -0.91 117.51 122.28 3ce6 h ILE 265 Ca 0.14 -1.79 -0.00 0.00 1.00 0.00 0.00 64.86 64.21 3ce6 h ILE 265 Cb 0.20 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 3ce6 h ILE 265 CO -0.01 0.55 -0.04 0.78 0.00 0.00 0.00 178.15 179.43 3ce6 h ASN 266 N 0.34 -0.09 0.12 1.72 2.35 0.06 -0.32 115.58 119.77 3ce6 h ASN 266 Ca 0.01 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 3ce6 h ASN 266 Cb 1.04 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.42 3ce6 h ASN 266 CO 0.09 0.02 -0.30 0.03 -1.65 0.00 0.00 177.43 175.62 3ce6 h ARG 267 N -0.19 0.29 0.02 0.81 3.08 -1.01 0.18 114.38 117.56 3ce6 h ARG 267 Ca -0.01 -0.11 -0.23 0.00 0.07 0.00 0.00 59.98 59.70 3ce6 h ARG 267 Cb 0.16 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3ce6 h ARG 267 CO 0.02 0.57 -0.98 0.78 -1.07 0.00 0.00 179.97 179.29 3ce6 h GLY 268 N 1.06 0.43 0.00 0.04 0.00 -0.88 -3.41 103.07 100.31 3ce6 h GLY 268 Ca 0.04 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3ce6 h GLY 268 CO 0.05 0.70 -0.40 -1.30 0.00 0.00 0.00 176.54 175.59 3ce6 n THR 269 N -3.72 0.00 -2.69 4.70 -2.24 -0.15 -4.93 114.28 105.24 3ce6 n THR 269 Ca -0.07 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.60 3ce6 n THR 269 Cb 0.86 0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 69.14 3ce6 n THR 269 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3ce6 n ASP 270 N -0.72 -2.95 -4.73 3.42 8.00 0.62 -4.92 116.55 115.27 3ce6 n ASP 270 Ca 0.00 0.13 -0.40 0.00 0.71 0.00 0.00 54.79 55.23 3ce6 n ASP 270 Cb 0.05 -2.53 -0.05 0.00 -0.02 0.00 0.00 41.12 38.57 3ce6 n ASP 270 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ce6 s ALA 271 N -2.51 3.31 0.17 2.24 0.00 -1.26 -5.00 121.76 118.71 3ce6 s ALA 271 Ca 0.10 0.33 -0.33 0.00 0.00 0.00 0.00 51.96 52.06 3ce6 s ALA 271 Cb -0.05 -3.08 -0.15 0.00 0.00 0.00 0.00 23.12 19.84 3ce6 s ALA 271 CO 0.12 -0.03 1.43 -0.11 0.00 0.00 0.00 175.76 177.17 3ce6 n LEU 272 N 3.20 2.61 -0.09 0.00 7.94 -1.26 -4.90 117.00 124.49 3ce6 n LEU 272 Ca -0.00 1.12 -0.23 0.00 -1.11 0.00 0.00 56.01 55.78 3ce6 n LEU 272 Cb 0.50 -1.35 -0.12 0.00 0.53 0.00 0.00 43.42 42.98 3ce6 n LEU 272 CO 0.48 -0.63 -1.05 -0.38 -1.11 0.00 0.00 177.39 174.70 3ce6 n ILE 273 N 2.54 1.58 -1.59 1.96 5.41 -1.26 -4.77 119.36 123.24 3ce6 n ILE 273 Ca 0.15 -0.42 -0.48 0.00 1.00 0.00 0.00 62.75 63.01 3ce6 n ILE 273 Cb 0.27 -1.77 -0.04 0.00 -0.71 0.00 0.00 39.64 37.40 3ce6 n ILE 273 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3ce6 n GLY 274 N 1.73 0.08 3.01 7.39 0.00 -0.97 -1.70 105.19 114.72 3ce6 n GLY 274 Ca -0.42 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3ce6 n GLY 274 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ce6 n GLY 275 N 1.94 2.98 3.87 -0.02 0.00 -0.28 -4.87 105.19 108.81 3ce6 n GLY 275 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3ce6 n GLY 275 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ce6 s LYS 276 N -0.22 3.84 -0.19 1.61 -0.14 -0.69 -4.75 119.74 119.20 3ce6 s LYS 276 Ca 0.00 0.41 -0.26 0.00 -1.36 0.00 0.00 55.97 54.76 3ce6 s LYS 276 Cb 0.00 -2.52 -0.01 0.00 -1.68 0.00 0.00 37.83 33.62 3ce6 s LYS 276 CO 0.00 0.18 0.89 0.15 -0.76 0.00 0.00 175.35 175.80 3ce6 s LYS 277 N -3.18 4.27 -0.07 1.68 1.02 -1.26 -0.47 119.74 121.73 3ce6 s LYS 277 Ca 0.50 1.10 0.04 0.00 0.02 0.00 0.00 55.97 57.63 3ce6 s LYS 277 Cb -0.11 -3.60 -0.00 0.00 -0.52 0.00 0.00 37.83 33.60 3ce6 s LYS 277 CO 0.23 -0.43 -0.20 0.08 -0.92 0.00 0.00 175.35 174.11 3ce6 s VAL 278 N 2.50 1.71 -0.25 3.17 1.01 -0.05 -0.45 120.40 128.04 3ce6 s VAL 278 Ca 0.39 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 3ce6 s VAL 278 Cb -0.16 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3ce6 s VAL 278 CO 0.11 0.48 -0.03 -0.22 0.00 0.00 0.00 175.10 175.44 3ce6 s LEU 279 N 0.22 3.25 -0.29 3.92 2.96 0.27 -0.82 118.68 128.18 3ce6 s LEU 279 Ca -0.11 -0.73 -0.09 0.00 -0.22 0.00 0.00 54.13 52.98 3ce6 s LEU 279 Cb -0.15 -1.72 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 3ce6 s LEU 279 CO 0.05 -0.12 0.13 -0.63 -1.32 0.00 0.00 176.35 174.47 3ce6 s ILE 280 N 1.39 4.55 -0.61 6.68 -1.09 -0.20 -0.98 121.20 130.94 3ce6 s ILE 280 Ca 0.02 -0.34 -0.24 0.00 -2.23 0.00 0.00 60.65 57.86 3ce6 s ILE 280 Cb -0.16 -3.27 0.05 0.00 -1.58 0.00 0.00 42.46 37.50 3ce6 s ILE 280 CO -0.03 0.14 0.99 0.00 -1.23 0.00 0.00 174.94 174.81 3ce6 n GLY 282 N 5.21 2.36 2.69 0.00 0.00 0.50 -0.12 105.19 115.84 3ce6 n GLY 282 Ca 0.00 -1.56 -0.07 0.00 0.00 0.00 0.00 46.02 44.39 3ce6 n GLY 282 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3ce6 n TYR 283 N 1.65 1.47 -0.28 1.61 9.36 -1.26 -4.27 117.16 125.45 3ce6 n TYR 283 Ca 0.00 -2.42 0.00 0.00 3.32 0.00 0.00 57.90 58.80 3ce6 n TYR 283 Cb 0.00 -0.28 0.00 0.00 -0.63 0.00 0.00 39.34 38.43 3ce6 n TYR 283 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3ce6 n GLY 284 N -0.42 0.51 0.28 2.98 0.00 -1.26 -4.44 105.19 102.84 3ce6 n GLY 284 Ca 0.13 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.40 3ce6 n GLY 284 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3ce6 h ASP 285 N 0.00 1.00 0.14 1.61 3.32 -1.90 0.87 116.42 121.47 3ce6 h ASP 285 Ca 0.00 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.64 3ce6 h ASP 285 Cb 0.00 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.27 3ce6 h ASP 285 CO 0.00 1.18 -0.07 0.58 -1.72 0.00 0.00 179.24 179.21 3ce6 h VAL 286 N 0.83 0.95 -0.89 -1.35 2.07 -1.88 -1.74 116.25 114.24 3ce6 h VAL 286 Ca 0.11 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.25 3ce6 h VAL 286 Cb 0.80 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 3ce6 h VAL 286 CO 0.07 0.09 0.59 1.23 0.02 0.00 0.00 177.57 179.57 3ce6 h GLY 287 N -0.37 1.26 0.37 2.17 0.00 -1.69 0.34 103.07 105.15 3ce6 h GLY 287 Ca -0.02 -0.46 0.10 0.00 0.00 0.00 0.00 47.33 46.94 3ce6 h GLY 287 CO 0.03 0.45 0.26 0.50 0.00 0.00 0.00 176.54 177.78 3ce6 h LYS 288 N 1.20 0.43 -0.56 4.80 1.57 -0.78 0.42 116.57 123.66 3ce6 h LYS 288 Ca 0.33 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.99 3ce6 h LYS 288 Cb -0.13 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3ce6 h LYS 288 CO -0.08 0.28 -0.01 0.78 -0.57 0.00 0.00 179.45 179.86 3ce6 h GLY 289 N 0.44 1.07 0.89 3.86 0.00 -0.42 -1.56 103.07 107.35 3ce6 h GLY 289 Ca 0.33 -0.79 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3ce6 h GLY 289 CO -0.31 0.73 -0.11 0.00 0.00 0.00 0.00 176.54 176.84 3ce6 h ALA 291 N 0.59 0.91 -0.65 0.00 0.00 -0.85 0.32 119.26 119.58 3ce6 h ALA 291 Ca -0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3ce6 h ALA 291 Cb 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3ce6 h ALA 291 CO -0.02 0.46 0.33 1.49 0.00 0.00 0.00 179.25 181.51 3ce6 h GLU 292 N 0.98 0.92 -0.33 0.00 4.81 -1.17 0.32 114.58 120.12 3ce6 h GLU 292 Ca 0.25 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3ce6 h GLU 292 Cb 0.09 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 3ce6 h GLU 292 CO -0.03 0.72 0.10 0.00 -0.73 0.00 0.00 179.01 179.06 3ce6 h ALA 293 N 1.15 0.43 -0.44 2.92 0.00 -0.29 -0.93 119.26 122.10 3ce6 h ALA 293 Ca 0.23 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3ce6 h ALA 293 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3ce6 h ALA 293 CO -0.03 0.07 -0.04 0.52 0.00 0.00 0.00 179.25 179.77 3ce6 h MET 294 N 0.37 0.81 -0.71 0.00 2.86 -0.71 -2.37 114.93 115.18 3ce6 h MET 294 Ca 0.10 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 3ce6 h MET 294 Cb 0.26 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3ce6 h MET 294 CO -0.00 0.89 0.40 -0.22 1.06 0.00 0.00 176.91 179.03 3ce6 h LYS 295 N 0.65 0.97 0.00 1.72 3.64 -0.24 -0.74 116.57 122.57 3ce6 h LYS 295 Ca 0.12 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3ce6 h LYS 295 Cb 0.55 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3ce6 h LYS 295 CO 0.03 0.71 -0.09 0.78 -2.27 0.00 0.00 179.45 178.61 3ce6 h GLY 296 N 1.03 0.00 -2.24 5.01 0.00 -0.76 -0.83 103.07 105.28 3ce6 h GLY 296 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 3ce6 h GLY 296 CO -0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.44 3ce6 n GLN 297 N -3.46 2.57 -0.80 4.80 1.13 -0.65 -4.92 117.38 116.06 3ce6 n GLN 297 Ca -0.01 -2.13 0.00 0.00 -1.94 0.00 0.00 57.00 52.91 3ce6 n GLN 297 Cb 0.24 -1.54 0.00 0.00 0.11 0.00 0.00 30.24 29.05 3ce6 n GLN 297 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ce6 n GLY 298 N 1.29 0.51 3.80 1.08 0.00 -0.32 -2.30 105.19 109.26 3ce6 n GLY 298 Ca 0.20 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 3ce6 n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ce6 s ALA 299 N -2.00 2.56 -0.58 4.61 0.00 -0.38 -1.12 121.76 124.86 3ce6 s ALA 299 Ca 0.00 0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.09 3ce6 s ALA 299 Cb 0.00 -3.23 0.14 0.00 0.00 0.00 0.00 23.12 20.03 3ce6 s ALA 299 CO 0.00 -1.25 0.53 1.03 0.00 0.00 0.00 175.76 176.07 3ce6 s ARG 300 N -4.61 3.04 -0.18 0.00 0.52 0.38 -4.59 118.95 113.52 3ce6 s ARG 300 Ca 0.62 -1.84 -0.10 0.00 -0.52 0.00 0.00 55.73 53.89 3ce6 s ARG 300 Cb -0.16 -4.29 -0.05 0.00 0.52 0.00 0.00 34.95 30.97 3ce6 s ARG 300 CO 0.48 -1.31 0.15 0.08 0.02 0.00 0.00 175.30 174.72 3ce6 s VAL 301 N 1.35 5.41 0.28 3.52 1.01 -1.26 -0.87 120.40 129.84 3ce6 s VAL 301 Ca 0.06 0.24 0.11 0.00 0.00 0.00 0.00 61.98 62.39 3ce6 s VAL 301 Cb -0.27 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 3ce6 s VAL 301 CO 0.01 0.46 -0.18 -0.44 0.00 0.00 0.00 175.10 174.95 3ce6 s SER 302 N 0.16 3.50 -0.02 3.32 0.01 0.00 -4.14 113.70 116.52 3ce6 s SER 302 Ca 0.10 -1.06 0.03 0.00 1.31 0.00 0.00 55.95 56.34 3ce6 s SER 302 Cb -0.11 -0.29 -0.00 0.00 0.21 0.00 0.00 66.02 65.82 3ce6 s SER 302 CO -0.00 -0.02 -0.12 -0.69 0.41 0.00 0.00 173.24 172.82 3ce6 s VAL 303 N -2.58 0.98 0.07 3.43 1.01 -0.30 -1.04 120.40 121.97 3ce6 s VAL 303 Ca 0.30 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3ce6 s VAL 303 Cb -0.03 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3ce6 s VAL 303 CO 0.14 0.29 0.13 0.42 0.00 0.00 0.00 175.10 176.08 3ce6 s THR 304 N -0.02 4.90 -0.03 3.92 -4.23 0.06 -0.95 115.64 119.29 3ce6 s THR 304 Ca -0.00 -0.59 -0.27 0.00 -1.18 0.00 0.00 61.69 59.65 3ce6 s THR 304 Cb -0.08 -3.37 0.06 0.00 1.34 0.00 0.00 72.50 70.46 3ce6 s THR 304 CO 0.00 0.15 0.59 -1.61 -0.54 0.00 0.00 174.62 173.21 3ce6 s GLU 305 N -2.39 0.98 -0.00 3.99 0.41 -1.26 -0.37 118.70 120.05 3ce6 s GLU 305 Ca 0.31 0.13 0.22 0.00 -0.41 0.00 0.00 54.97 55.22 3ce6 s GLU 305 Cb -0.13 0.46 -0.27 0.00 -1.78 0.00 0.00 34.13 32.41 3ce6 s GLU 305 CO 0.24 -0.30 0.63 0.44 -0.49 0.00 0.00 175.26 175.77 3ce6 n ILE 306 N 0.95 0.07 -3.66 -1.63 -6.64 -1.26 -4.94 119.36 102.24 3ce6 n ILE 306 Ca -0.20 -0.42 -0.37 0.00 -1.77 0.00 0.00 62.75 60.00 3ce6 n ILE 306 Cb 0.57 0.12 -0.11 0.00 -1.44 0.00 0.00 39.64 38.78 3ce6 n ILE 306 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 3ce6 s ASP 307 N -4.34 5.75 0.47 7.28 -1.08 -1.26 -4.96 116.67 118.54 3ce6 s ASP 307 Ca -0.04 -0.05 0.17 0.00 -0.52 0.00 0.00 52.55 52.10 3ce6 s ASP 307 Cb 0.14 -2.06 1.13 0.00 -1.46 0.00 0.00 42.92 40.68 3ce6 s ASP 307 CO 0.89 -0.03 2.04 1.55 0.52 0.00 0.00 175.17 180.14 3ce6 h PRO 308 N 8.19 0.00 0.29 4.34 0.13 -1.99 -0.31 132.00 142.66 3ce6 h PRO 308 Ca -0.36 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 3ce6 h PRO 308 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3ce6 h PRO 308 CO 0.57 0.13 -0.14 0.82 -0.23 0.00 0.00 178.00 179.16 3ce6 h ILE 309 N 0.00 0.68 -0.66 -3.56 2.04 -2.00 -0.97 117.51 113.04 3ce6 h ILE 309 Ca -0.00 -0.70 0.02 0.00 1.00 0.00 0.00 64.86 65.18 3ce6 h ILE 309 Cb 0.25 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3ce6 h ILE 309 CO 0.02 0.13 0.44 0.78 0.00 0.00 0.00 178.15 179.51 3ce6 h ASN 310 N -0.81 0.72 -0.73 1.72 2.35 -1.86 -1.73 115.58 115.24 3ce6 h ASN 310 Ca -0.04 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3ce6 h ASN 310 Cb 0.51 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.68 3ce6 h ASN 310 CO 0.07 0.51 0.30 0.00 -1.65 0.00 0.00 177.43 176.65 3ce6 h ALA 311 N 1.60 0.95 -0.20 -0.83 0.00 -0.98 -1.31 119.26 118.50 3ce6 h ALA 311 Ca 0.25 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3ce6 h ALA 311 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3ce6 h ALA 311 CO -0.06 0.57 -0.34 1.25 0.00 0.00 0.00 179.25 180.67 3ce6 h LEU 312 N 1.05 0.43 -0.47 0.00 5.85 -0.45 -1.47 115.31 120.25 3ce6 h LEU 312 Ca 0.24 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ce6 h LEU 312 Cb 0.21 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3ce6 h LEU 312 CO -0.02 0.74 0.30 1.56 -0.34 0.00 0.00 178.44 180.69 3ce6 h GLN 313 N 0.36 0.63 -0.70 1.25 4.20 -0.95 -0.03 115.11 119.87 3ce6 h GLN 313 Ca 0.04 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ce6 h GLN 313 Cb 0.77 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 3ce6 h GLN 313 CO 0.06 0.43 0.45 0.00 -0.67 0.00 0.00 178.83 179.11 3ce6 h ALA 314 N 1.16 0.89 -0.60 3.87 0.00 -0.49 -0.98 119.26 123.10 3ce6 h ALA 314 Ca 0.17 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3ce6 h ALA 314 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3ce6 h ALA 314 CO -0.04 0.32 0.03 0.52 0.00 0.00 0.00 179.25 180.09 3ce6 h MET 315 N 0.95 1.03 0.00 0.00 2.86 -0.95 -1.42 114.93 117.40 3ce6 h MET 315 Ca 0.25 -0.30 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3ce6 h MET 315 Cb -0.09 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.46 3ce6 h MET 315 CO -0.05 0.99 0.00 0.52 1.06 0.00 0.00 176.91 179.43 3ce6 h MET 316 N 0.95 0.00 -0.60 1.72 2.07 -0.43 -1.28 114.93 117.37 3ce6 h MET 316 Ca 0.18 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.81 3ce6 h MET 316 Cb 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 3ce6 h MET 316 CO 0.02 0.00 0.00 0.39 1.07 0.00 0.00 176.91 178.39 3ce6 n GLU 317 N -2.31 2.54 -0.49 1.72 1.02 -0.43 -4.95 120.64 117.74 3ce6 n GLU 317 Ca 0.01 -2.38 0.00 0.00 -0.02 0.00 0.00 57.16 54.77 3ce6 n GLU 317 Cb 0.20 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 3ce6 n GLU 317 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ce6 n GLY 318 N 1.56 0.74 3.33 0.62 0.00 -0.48 -5.05 105.19 105.90 3ce6 n GLY 318 Ca 0.22 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 3ce6 n GLY 318 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3ce6 s PHE 319 N -2.00 2.72 0.43 1.61 0.08 -0.61 -4.96 117.98 115.25 3ce6 s PHE 319 Ca 0.00 -0.74 -0.25 0.00 0.12 0.00 0.00 56.93 56.06 3ce6 s PHE 319 Cb 0.00 -1.79 -0.09 0.00 -0.57 0.00 0.00 43.02 40.57 3ce6 s PHE 319 CO 0.00 -0.25 1.27 -0.25 -0.10 0.00 0.00 175.22 175.88 3ce6 n ASP 320 N 3.45 2.51 -4.24 1.36 8.00 -1.26 -3.47 116.55 122.90 3ce6 n ASP 320 Ca -0.18 1.09 -0.36 0.00 0.71 0.00 0.00 54.79 56.05 3ce6 n ASP 320 Cb 0.53 -1.50 -0.13 0.00 -0.02 0.00 0.00 41.12 39.99 3ce6 n ASP 320 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ce6 s VAL 321 N -1.21 3.32 0.27 2.53 1.01 -1.26 -1.15 120.40 123.91 3ce6 s VAL 321 Ca 0.62 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.63 3ce6 s VAL 321 Cb -0.50 -2.76 -0.06 0.00 0.00 0.00 0.00 36.38 33.06 3ce6 s VAL 321 CO 0.57 0.05 -0.03 0.68 0.00 0.00 0.00 175.10 176.38 3ce6 s VAL 322 N 1.37 1.41 0.35 2.92 -7.23 -0.13 -4.98 120.40 114.12 3ce6 s VAL 322 Ca -0.01 -2.08 -0.06 0.00 -1.81 0.00 0.00 61.98 58.03 3ce6 s VAL 322 Cb -0.18 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.26 3ce6 s VAL 322 CO -0.01 -0.28 0.64 0.42 -0.31 0.00 0.00 175.10 175.56 3ce6 s THR 323 N -3.17 4.96 0.21 5.32 -4.23 -1.26 -3.91 115.64 113.56 3ce6 s THR 323 Ca 0.30 0.15 -0.10 0.00 -1.18 0.00 0.00 61.69 60.86 3ce6 s THR 323 Cb 0.05 -3.77 0.16 0.00 1.34 0.00 0.00 72.50 70.28 3ce6 s THR 323 CO 0.11 -0.48 1.71 0.58 -0.54 0.00 0.00 174.62 175.99 3ce6 h VAL 324 N 1.03 0.64 -0.78 2.29 2.07 -1.96 -2.43 116.25 117.11 3ce6 h VAL 324 Ca -0.48 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 66.95 3ce6 h VAL 324 Cb 1.20 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3ce6 h VAL 324 CO 0.64 0.05 0.50 -0.33 0.02 0.00 0.00 177.57 178.45 3ce6 h GLU 325 N 0.27 1.04 0.00 1.57 3.07 -1.97 0.63 114.58 119.19 3ce6 h GLU 325 Ca 0.32 -0.08 -0.10 0.00 -0.50 0.00 0.00 59.36 59.00 3ce6 h GLU 325 Cb 0.47 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.14 3ce6 h GLU 325 CO -0.40 0.71 -0.47 1.05 -1.40 0.00 0.00 179.01 178.49 3ce6 h GLU 326 N 1.07 0.00 0.00 2.33 4.11 -1.85 -3.37 114.58 116.87 3ce6 h GLU 326 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 3ce6 h GLU 326 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3ce6 h GLU 326 CO -0.06 0.47 -1.06 0.00 0.07 0.00 0.00 179.01 178.44 3ce6 n ALA 327 N -2.40 2.81 -0.15 1.06 0.00 -0.64 -4.68 120.51 116.50 3ce6 n ALA 327 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3ce6 n ALA 327 Cb 0.52 -0.37 0.26 0.00 0.00 0.00 0.00 19.45 19.85 3ce6 n ALA 327 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3ce6 h ILE 328 N 0.00 1.19 0.00 0.00 6.09 -1.08 -2.65 117.51 121.06 3ce6 h ILE 328 Ca 0.00 -0.47 -0.04 0.00 -1.37 0.00 0.00 64.86 62.98 3ce6 h ILE 328 Cb 0.38 0.33 -0.01 0.00 0.47 0.00 0.00 36.82 38.00 3ce6 h ILE 328 CO 0.00 0.21 -0.20 1.23 -3.07 0.00 0.00 178.15 176.32 3ce6 h GLY 329 N 0.93 0.00 -0.83 8.18 0.00 -1.84 -3.09 103.07 106.43 3ce6 h GLY 329 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3ce6 h GLY 329 CO -0.04 0.00 0.00 1.22 0.00 0.00 0.00 176.54 177.72 3ce6 n ASP 330 N -4.22 1.88 -4.73 0.19 8.00 -1.04 -3.83 116.55 112.79 3ce6 n ASP 330 Ca -0.02 -1.44 -0.42 0.00 0.71 0.00 0.00 54.79 53.62 3ce6 n ASP 330 Cb 0.27 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 3ce6 n ASP 330 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ce6 s ALA 331 N -0.85 3.53 0.02 2.24 0.00 -1.02 -4.79 121.76 120.88 3ce6 s ALA 331 Ca 0.12 1.07 0.08 0.00 0.00 0.00 0.00 51.96 53.24 3ce6 s ALA 331 Cb 0.09 -3.49 -0.23 0.00 0.00 0.00 0.00 23.12 19.48 3ce6 s ALA 331 CO 0.13 -0.54 0.89 -0.44 0.00 0.00 0.00 175.76 175.79 3ce6 h ASP 332 N 5.99 0.06 -3.50 0.00 3.32 -1.12 -3.41 116.42 117.77 3ce6 h ASP 332 Ca -0.43 -0.09 -0.37 0.00 0.02 0.00 0.00 57.03 56.15 3ce6 h ASP 332 Cb 1.21 -0.02 -0.34 0.00 0.22 0.00 0.00 39.33 40.41 3ce6 h ASP 332 CO 0.81 1.08 -0.76 -0.63 -1.72 0.00 0.00 179.24 178.02 3ce6 s ILE 333 N -2.64 0.34 -0.14 0.35 1.01 -0.98 -1.32 121.20 117.82 3ce6 s ILE 333 Ca -0.04 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.61 3ce6 s ILE 333 Cb 0.08 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 42.18 3ce6 s ILE 333 CO 0.83 0.18 -0.19 -0.69 0.00 0.00 0.00 174.94 175.06 3ce6 s VAL 334 N 0.91 1.88 -0.09 2.92 1.01 0.55 -0.56 120.40 127.02 3ce6 s VAL 334 Ca -0.10 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.05 3ce6 s VAL 334 Cb -0.14 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.56 3ce6 s VAL 334 CO -0.01 0.51 -0.17 -0.69 0.00 0.00 0.00 175.10 174.75 3ce6 s VAL 335 N 1.06 1.53 -0.20 2.92 1.01 -0.15 -1.36 120.40 125.20 3ce6 s VAL 335 Ca -0.02 -0.69 -0.14 0.00 0.00 0.00 0.00 61.98 61.12 3ce6 s VAL 335 Cb -0.14 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3ce6 s VAL 335 CO -0.06 0.44 0.32 0.42 0.00 0.00 0.00 175.10 176.23 3ce6 s THR 336 N 0.68 5.26 -0.12 3.92 -4.23 -0.62 -0.51 115.64 120.01 3ce6 s THR 336 Ca -0.13 0.55 0.21 0.00 -1.18 0.00 0.00 61.69 61.14 3ce6 s THR 336 Cb -0.16 -3.66 0.45 0.00 1.34 0.00 0.00 72.50 70.47 3ce6 s THR 336 CO 0.03 0.30 1.17 0.00 -0.54 0.00 0.00 174.62 175.58 3ce6 n ALA 337 N 4.29 2.86 -0.07 3.99 0.00 0.83 -0.50 120.51 131.90 3ce6 n ALA 337 Ca -0.11 -2.73 -0.03 0.00 0.00 0.00 0.00 53.44 50.57 3ce6 n ALA 337 Cb 0.51 -0.67 -0.16 0.00 0.00 0.00 0.00 19.45 19.14 3ce6 n ALA 337 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ce6 n THR 338 N -0.15 0.92 -0.96 0.00 -2.24 -1.23 -4.32 114.28 106.30 3ce6 n THR 338 Ca 0.12 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3ce6 n THR 338 Cb 0.97 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 3ce6 n THR 338 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ce6 n GLY 339 N 1.66 0.40 3.61 3.38 0.00 -1.26 -5.01 105.19 107.97 3ce6 n GLY 339 Ca -0.23 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 3ce6 n GLY 339 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ce6 n ASN 340 N -0.26 2.75 -4.68 1.61 2.85 -1.26 -4.96 115.26 111.31 3ce6 n ASN 340 Ca 0.00 -2.84 -0.23 0.00 -0.11 0.00 0.00 54.58 51.40 3ce6 n ASN 340 Cb 0.13 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.09 3ce6 n ASN 340 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 3ce6 s LYS 341 N -4.10 2.36 -1.05 1.20 -2.85 -1.26 -4.09 119.74 109.94 3ce6 s LYS 341 Ca 0.26 -1.44 -0.05 0.00 -1.00 0.00 0.00 55.97 53.74 3ce6 s LYS 341 Cb -0.02 -2.19 0.01 0.00 -2.06 0.00 0.00 37.83 33.57 3ce6 s LYS 341 CO 0.17 0.28 0.91 -0.25 0.10 0.00 0.00 175.35 176.55 3ce6 n ASP 342 N -1.00 -4.39 -0.00 0.03 8.00 0.10 -4.90 116.55 114.39 3ce6 n ASP 342 Ca -0.05 -0.46 -0.20 0.00 0.71 0.00 0.00 54.79 54.79 3ce6 n ASP 342 Cb 0.60 -4.17 -0.14 0.00 -0.02 0.00 0.00 41.12 37.39 3ce6 n ASP 342 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3ce6 h ILE 343 N -1.97 1.28 -3.69 0.53 1.08 -1.32 -3.43 117.51 109.99 3ce6 h ILE 343 Ca -0.46 -2.41 -0.66 0.00 -0.39 0.00 0.00 64.86 60.93 3ce6 h ILE 343 Cb 1.29 2.91 -0.39 0.00 -3.07 0.00 0.00 36.82 37.55 3ce6 h ILE 343 CO 0.43 0.65 -0.71 -0.63 -0.69 0.00 0.00 178.15 177.20 3ce6 s ILE 344 N -2.41 2.34 0.67 -0.67 -1.09 -0.64 -5.00 121.20 114.41 3ce6 s ILE 344 Ca -0.19 -2.29 -0.05 0.00 -2.23 0.00 0.00 60.65 55.89 3ce6 s ILE 344 Cb 0.02 -2.70 0.05 0.00 -1.58 0.00 0.00 42.46 38.25 3ce6 s ILE 344 CO 0.76 -0.57 0.97 -0.04 -1.23 0.00 0.00 174.94 174.83 3ce6 s MET 345 N 0.93 2.30 0.22 2.79 -1.94 -1.26 -0.58 119.30 121.75 3ce6 s MET 345 Ca 0.10 -0.31 -0.08 0.00 -1.71 0.00 0.00 55.69 53.69 3ce6 s MET 345 Cb -0.19 -2.22 0.35 0.00 2.01 0.00 0.00 34.83 34.78 3ce6 s MET 345 CO -0.08 -1.13 1.72 1.25 -0.01 0.00 0.00 175.02 176.78 3ce6 h LEU 346 N -0.47 0.16 -1.48 -0.03 5.85 -1.94 -0.39 115.31 117.00 3ce6 h LEU 346 Ca -0.44 0.10 0.14 0.00 0.84 0.00 0.00 57.88 58.53 3ce6 h LEU 346 Cb 1.31 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.39 3ce6 h LEU 346 CO 0.59 0.08 0.52 -0.08 -0.34 0.00 0.00 178.44 179.21 3ce6 h GLU 347 N 0.36 0.50 -0.17 1.25 4.81 -1.98 0.32 114.58 119.66 3ce6 h GLU 347 Ca 0.35 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.38 3ce6 h GLU 347 Cb 0.50 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.78 3ce6 h GLU 347 CO -0.38 0.33 -0.55 0.45 -0.73 0.00 0.00 179.01 178.13 3ce6 h HIS 348 N 0.51 0.89 -0.60 0.92 3.86 -1.50 -2.96 115.15 116.26 3ce6 h HIS 348 Ca 0.39 -0.36 -0.06 0.00 -1.16 0.00 0.00 60.37 59.18 3ce6 h HIS 348 Cb 0.79 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 3ce6 h HIS 348 CO -0.00 1.15 0.12 0.82 0.86 0.00 0.00 177.93 180.88 3ce6 h ILE 349 N 0.37 1.25 0.00 2.45 2.04 0.04 -1.40 117.51 122.25 3ce6 h ILE 349 Ca -0.02 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 3ce6 h ILE 349 Cb 1.17 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 3ce6 h ILE 349 CO 0.12 0.35 -0.03 0.11 0.00 0.00 0.00 178.15 178.70 3ce6 h LYS 350 N 0.90 0.00 0.00 2.37 1.57 -0.99 -1.70 116.57 118.72 3ce6 h LYS 350 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3ce6 h LYS 350 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3ce6 h LYS 350 CO 0.01 0.03 -0.12 0.00 -0.57 0.00 0.00 179.45 178.79 3ce6 n ALA 351 N -2.22 2.46 -1.06 3.86 0.00 -0.55 -4.95 120.51 118.04 3ce6 n ALA 351 Ca -0.02 -0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.01 3ce6 n ALA 351 Cb 0.13 -1.41 0.12 0.00 0.00 0.00 0.00 19.45 18.29 3ce6 n ALA 351 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3ce6 s MET 352 N -3.09 1.75 0.69 0.00 -1.94 -0.64 -4.14 119.30 111.94 3ce6 s MET 352 Ca 0.11 1.47 -0.11 0.00 -1.71 0.00 0.00 55.69 55.45 3ce6 s MET 352 Cb 0.14 -1.82 0.01 0.00 2.01 0.00 0.00 34.83 35.17 3ce6 s MET 352 CO 0.61 -2.07 1.06 -1.59 -0.01 0.00 0.00 175.02 173.02 3ce6 s LYS 353 N -4.52 2.93 0.24 2.03 -2.85 -1.25 -4.94 119.74 111.39 3ce6 s LYS 353 Ca 0.67 0.97 -0.30 0.00 -1.00 0.00 0.00 55.97 56.31 3ce6 s LYS 353 Cb -0.22 -1.99 -0.10 0.00 -2.06 0.00 0.00 37.83 33.46 3ce6 s LYS 353 CO 0.53 -1.10 1.45 0.34 0.10 0.00 0.00 175.35 176.67 3ce6 s ASP 354 N -3.73 6.65 -0.44 0.03 2.15 -1.26 -1.56 116.67 118.50 3ce6 s ASP 354 Ca 0.58 2.66 0.00 0.00 0.43 0.00 0.00 52.55 56.23 3ce6 s ASP 354 Cb -0.14 -2.62 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 3ce6 s ASP 354 CO 0.54 -0.71 0.00 1.41 -0.17 0.00 0.00 175.17 176.24 3ce6 n HIS 355 N 2.47 0.00 -1.14 -5.34 8.25 0.20 -4.91 115.22 114.75 3ce6 n HIS 355 Ca 0.07 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.20 3ce6 n HIS 355 Cb 0.40 -1.58 0.12 0.00 1.12 0.00 0.00 29.99 30.05 3ce6 n HIS 355 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3ce6 s ALA 356 N -1.74 1.87 -0.09 -1.41 0.00 -0.60 -4.63 121.76 115.16 3ce6 s ALA 356 Ca 0.00 0.80 0.01 0.00 0.00 0.00 0.00 51.96 52.78 3ce6 s ALA 356 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 3ce6 s ALA 356 CO 0.00 -2.24 -0.11 0.42 0.00 0.00 0.00 175.76 173.82 3ce6 s ILE 357 N -2.20 3.28 -0.08 0.00 1.01 -0.43 -0.68 121.20 122.10 3ce6 s ILE 357 Ca 0.72 -0.62 0.03 0.00 0.00 0.00 0.00 60.65 60.78 3ce6 s ILE 357 Cb -0.28 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 39.87 3ce6 s ILE 357 CO 0.50 0.57 -0.15 -0.22 0.00 0.00 0.00 174.94 175.64 3ce6 s LEU 358 N -0.35 1.74 0.15 2.97 2.96 0.86 -0.33 118.68 126.68 3ce6 s LEU 358 Ca 0.04 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.47 3ce6 s LEU 358 Cb -0.12 -0.98 0.01 0.00 0.50 0.00 0.00 46.19 45.60 3ce6 s LEU 358 CO 0.02 0.06 0.33 -0.83 -1.32 0.00 0.00 176.35 174.61 3ce6 s GLY 359 N 0.65 0.18 -0.04 7.98 0.00 -0.46 -1.40 107.32 114.23 3ce6 s GLY 359 Ca -0.14 -0.58 0.06 0.00 0.00 0.00 0.00 44.72 44.05 3ce6 s GLY 359 CO 0.04 -0.63 -0.21 0.21 0.00 0.00 0.00 173.10 172.51 3ce6 s ASN 360 N -2.91 2.51 0.00 1.64 2.47 -1.26 -1.59 114.94 115.80 3ce6 s ASN 360 Ca 0.11 -0.40 0.01 0.00 0.42 0.00 0.00 52.86 53.00 3ce6 s ASN 360 Cb 0.02 -0.53 0.00 0.00 -1.45 0.00 0.00 41.25 39.30 3ce6 s ASN 360 CO -0.04 0.22 0.44 0.00 -3.72 0.00 0.00 177.10 173.99 3ce6 n ILE 361 N 2.87 0.00 -0.97 -5.21 3.06 0.34 -0.60 119.36 118.85 3ce6 n ILE 361 Ca -0.17 -0.50 -0.29 0.00 -2.50 0.00 0.00 62.75 59.29 3ce6 n ILE 361 Cb 0.53 1.01 0.22 0.00 0.54 0.00 0.00 39.64 41.94 3ce6 n ILE 361 CO 0.00 0.00 0.00 -0.83 -2.50 0.00 0.00 176.55 173.22 3ce6 s GLY 362 N -0.25 1.55 0.26 4.50 0.00 -1.14 -4.83 107.32 107.41 3ce6 s GLY 362 Ca 0.01 -0.59 0.02 0.00 0.00 0.00 0.00 44.72 44.15 3ce6 s GLY 362 CO 0.01 0.18 1.67 0.84 0.00 0.00 0.00 173.10 175.81 3ce6 h HIS 363 N -2.41 0.56 -4.23 1.90 2.76 -1.95 -3.39 115.15 108.39 3ce6 h HIS 363 Ca -0.52 -0.14 -0.69 0.00 -2.20 0.00 0.00 60.37 56.82 3ce6 h HIS 363 Cb 1.32 -0.13 -0.26 0.00 1.55 0.00 0.00 27.41 29.90 3ce6 h HIS 363 CO -0.89 0.75 -0.88 -0.06 -1.30 0.00 0.00 177.93 175.55 3ce6 s PHE 364 N -4.38 2.32 -0.41 5.26 0.08 -1.26 -4.62 117.98 114.97 3ce6 s PHE 364 Ca -0.07 -0.41 0.17 0.00 0.12 0.00 0.00 56.93 56.75 3ce6 s PHE 364 Cb 0.13 -1.36 0.91 0.00 -0.57 0.00 0.00 43.02 42.12 3ce6 s PHE 364 CO 0.80 0.17 1.53 -0.40 -0.10 0.00 0.00 175.22 177.22 3ce6 n ASP 365 N 1.61 0.45 0.00 1.36 5.75 -1.26 -3.53 116.55 120.92 3ce6 n ASP 365 Ca -0.17 0.69 0.09 0.00 -0.01 0.00 0.00 54.79 55.39 3ce6 n ASP 365 Cb 0.52 -0.76 0.51 0.00 -1.03 0.00 0.00 41.12 40.37 3ce6 n ASP 365 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3ce6 n ASN 366 N -2.09 0.00 0.23 -1.12 6.94 -1.26 -1.62 115.26 116.34 3ce6 n ASN 366 Ca -0.01 -0.71 0.09 0.00 -0.02 0.00 0.00 54.58 53.93 3ce6 n ASN 366 Cb 0.05 0.00 0.55 0.00 -2.36 0.00 0.00 39.78 38.03 3ce6 n ASN 366 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 3ce6 h GLU 367 N 0.00 0.00 -6.02 -3.83 5.08 -1.71 0.31 114.58 108.42 3ce6 h GLU 367 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 3ce6 h GLU 367 Cb 0.00 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.01 3ce6 h GLU 367 CO 0.00 0.22 -0.76 0.42 -1.00 0.00 0.00 179.01 177.89 3ce6 s ILE 368 N -4.10 3.11 -1.46 3.13 1.01 -0.64 -1.07 121.20 121.17 3ce6 s ILE 368 Ca -0.02 -0.69 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 3ce6 s ILE 368 Cb 0.13 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.33 3ce6 s ILE 368 CO 0.64 0.57 2.49 -0.67 0.00 0.00 0.00 174.94 177.97 3ce6 n ASP 369 N 2.66 5.68 -0.13 3.58 2.03 0.25 -4.69 116.55 125.94 3ce6 n ASP 369 Ca -0.17 -2.71 0.01 0.00 0.52 0.00 0.00 54.79 52.44 3ce6 n ASP 369 Cb 0.52 -1.57 0.29 0.00 -0.72 0.00 0.00 41.12 39.65 3ce6 n ASP 369 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 3ce6 h MET 370 N 5.74 0.80 -0.56 -0.67 2.86 -1.88 -1.38 114.93 119.85 3ce6 h MET 370 Ca 0.67 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 58.23 3ce6 h MET 370 Cb 0.49 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 3ce6 h MET 370 CO 1.84 0.58 0.31 0.00 1.06 0.00 0.00 176.91 180.69 3ce6 h ALA 371 N 1.56 0.71 -0.42 6.32 0.00 -1.97 0.67 119.26 126.13 3ce6 h ALA 371 Ca 0.21 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3ce6 h ALA 371 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3ce6 h ALA 371 CO -0.04 0.23 0.06 0.78 0.00 0.00 0.00 179.25 180.28 3ce6 h GLY 372 N 0.75 0.76 0.67 0.00 0.00 -1.88 -2.76 103.07 100.61 3ce6 h GLY 372 Ca 0.20 -0.51 0.05 0.00 0.00 0.00 0.00 47.33 47.06 3ce6 h GLY 372 CO -0.03 0.47 0.16 -2.00 0.00 0.00 0.00 176.54 175.15 3ce6 h LEU 373 N 0.56 0.19 -1.81 3.11 5.85 -0.89 -2.00 115.31 120.33 3ce6 h LEU 373 Ca 0.13 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3ce6 h LEU 373 Cb 0.39 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 3ce6 h LEU 373 CO 0.01 0.15 -0.09 -0.33 -0.34 0.00 0.00 178.44 177.84 3ce6 h GLU 374 N 0.34 0.01 -0.51 1.25 5.08 -0.72 -2.56 114.58 117.47 3ce6 h GLU 374 Ca 0.19 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3ce6 h GLU 374 Cb 0.16 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3ce6 h GLU 374 CO -0.18 0.10 0.00 0.54 -1.00 0.00 0.00 179.01 178.47 3ce6 n ARG 375 N -4.43 3.15 0.04 2.33 1.74 -0.99 -4.63 116.66 113.87 3ce6 n ARG 375 Ca -0.03 -2.56 0.13 0.00 -0.77 0.00 0.00 57.85 54.62 3ce6 n ARG 375 Cb 0.17 -1.61 0.35 0.00 -1.02 0.00 0.00 32.46 30.35 3ce6 n ARG 375 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3ce6 n SER 376 N 0.79 0.50 0.00 0.55 3.41 -0.79 -4.91 113.62 113.17 3ce6 n SER 376 Ca 0.20 0.23 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 3ce6 n SER 376 Cb 0.68 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 3ce6 n SER 376 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3ce6 n GLY 377 N 1.41 1.53 3.74 5.00 0.00 -1.26 -5.07 105.19 110.54 3ce6 n GLY 377 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3ce6 n GLY 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ce6 s ALA 378 N -2.53 2.35 0.03 4.61 0.00 -1.26 -4.76 121.76 120.18 3ce6 s ALA 378 Ca 0.00 0.92 0.04 0.00 0.00 0.00 0.00 51.96 52.92 3ce6 s ALA 378 Cb 0.00 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 3ce6 s ALA 378 CO 0.00 -1.51 -0.05 0.95 0.00 0.00 0.00 175.76 175.15 3ce6 s THR 379 N -1.82 3.74 -0.11 0.00 -4.23 -0.21 -4.86 115.64 108.14 3ce6 s THR 379 Ca 0.75 -0.84 -0.02 0.00 -1.18 0.00 0.00 61.69 60.40 3ce6 s THR 379 Cb -0.29 -2.67 -0.03 0.00 1.34 0.00 0.00 72.50 70.85 3ce6 s THR 379 CO 0.40 0.32 -0.01 -0.60 -0.54 0.00 0.00 174.62 174.18 3ce6 s ARG 380 N -1.65 3.23 -0.16 3.99 3.52 -1.26 -0.23 118.95 126.38 3ce6 s ARG 380 Ca 0.19 -0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 3ce6 s ARG 380 Cb -0.11 -2.84 0.02 0.00 -1.56 0.00 0.00 34.95 30.46 3ce6 s ARG 380 CO 0.10 0.53 -0.15 0.08 -0.81 0.00 0.00 175.30 175.05 3ce6 s VAL 381 N -0.41 1.73 0.03 7.11 1.01 0.78 -4.98 120.40 125.66 3ce6 s VAL 381 Ca 0.07 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 3ce6 s VAL 381 Cb -0.12 -1.62 -0.06 0.00 0.00 0.00 0.00 36.38 34.58 3ce6 s VAL 381 CO 0.02 0.45 1.37 0.21 0.00 0.00 0.00 175.10 177.15 3ce6 s ASN 382 N 1.42 6.88 -0.17 3.32 3.84 -1.26 0.05 114.94 129.02 3ce6 s ASN 382 Ca 0.04 2.14 -0.22 0.00 0.21 0.00 0.00 52.86 55.02 3ce6 s ASN 382 Cb -0.13 -2.57 -0.23 0.00 -0.55 0.00 0.00 41.25 37.77 3ce6 s ASN 382 CO -0.11 -0.68 0.45 0.58 -2.79 0.00 0.00 177.10 174.55 3ce6 h VAL 383 N 4.75 1.19 -2.74 -5.21 2.07 -1.49 -3.48 116.25 111.34 3ce6 h VAL 383 Ca -0.39 -2.28 0.08 0.00 0.82 0.00 0.00 66.70 64.94 3ce6 h VAL 383 Cb 1.19 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 33.60 3ce6 h VAL 383 CO 0.88 0.49 0.43 -1.59 0.02 0.00 0.00 177.57 177.80 3ce6 s LYS 384 N -2.35 1.71 0.19 1.57 -2.85 -1.16 -5.03 119.74 111.83 3ce6 s LYS 384 Ca -0.24 -1.08 -0.33 0.00 -1.00 0.00 0.00 55.97 53.32 3ce6 s LYS 384 Cb 0.03 0.49 -0.14 0.00 -2.06 0.00 0.00 37.83 36.15 3ce6 s LYS 384 CO 0.66 -0.80 1.40 -2.30 0.10 0.00 0.00 175.35 174.41 3ce6 n PRO 385 N -0.60 1.84 -1.34 1.78 -0.02 -1.26 -0.78 135.00 134.62 3ce6 n PRO 385 Ca -0.06 0.66 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 3ce6 n PRO 385 Cb 0.60 -2.31 -0.05 0.00 -0.02 0.00 0.00 33.50 31.71 3ce6 n PRO 385 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3ce6 n GLN 386 N 2.37 -1.62 -4.33 -0.52 3.00 -1.26 -4.95 117.38 110.07 3ce6 n GLN 386 Ca 0.14 0.90 -0.24 0.00 -0.01 0.00 0.00 57.00 57.80 3ce6 n GLN 386 Cb 0.28 -5.29 -0.17 0.00 0.00 0.00 0.00 30.24 25.06 3ce6 n GLN 386 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3ce6 s VAL 387 N -2.03 0.94 0.00 5.09 1.01 0.04 -0.60 120.40 124.85 3ce6 s VAL 387 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.68 3ce6 s VAL 387 Cb 0.00 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 3ce6 s VAL 387 CO 0.00 0.32 -0.10 -1.81 0.00 0.00 0.00 175.10 173.51 3ce6 s ASP 388 N 0.96 1.21 -0.23 3.32 1.01 -0.74 -1.14 116.67 121.06 3ce6 s ASP 388 Ca -0.09 -0.24 -0.08 0.00 0.71 0.00 0.00 52.55 52.85 3ce6 s ASP 388 Cb -0.15 -0.12 -0.03 0.00 1.01 0.00 0.00 42.92 43.63 3ce6 s ASP 388 CO 0.00 0.09 0.08 -0.22 0.21 0.00 0.00 175.17 175.33 3ce6 s LEU 389 N -0.43 3.59 -0.16 1.23 2.96 0.11 -0.46 118.68 125.52 3ce6 s LEU 389 Ca 0.03 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 53.78 3ce6 s LEU 389 Cb -0.05 -1.95 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 3ce6 s LEU 389 CO -0.00 0.03 0.00 0.26 -1.32 0.00 0.00 176.35 175.32 3ce6 s TRP 390 N 1.25 3.12 -0.06 5.38 0.52 0.37 -0.16 118.94 129.34 3ce6 s TRP 390 Ca 0.05 -0.13 0.05 0.00 0.02 0.00 0.00 56.10 56.08 3ce6 s TRP 390 Cb -0.14 -1.99 -0.00 0.00 -1.15 0.00 0.00 33.47 30.18 3ce6 s TRP 390 CO 0.04 0.07 -0.21 0.99 0.02 0.00 0.00 176.95 177.86 3ce6 s THR 391 N 0.28 1.76 -0.37 2.01 2.01 0.68 -0.60 115.64 121.41 3ce6 s THR 391 Ca -0.01 -0.88 -0.16 0.00 0.31 0.00 0.00 61.69 60.95 3ce6 s THR 391 Cb -0.13 -1.52 -0.00 0.00 0.01 0.00 0.00 72.50 70.86 3ce6 s THR 391 CO 0.02 0.50 0.38 -0.36 -0.69 0.00 0.00 174.62 174.46 3ce6 s PHE 392 N 0.11 3.20 -0.23 4.92 0.08 -0.47 -1.05 117.98 124.55 3ce6 s PHE 392 Ca -0.09 -0.15 0.28 0.00 0.12 0.00 0.00 56.93 57.09 3ce6 s PHE 392 Cb -0.14 -2.72 0.90 0.00 -0.57 0.00 0.00 43.02 40.49 3ce6 s PHE 392 CO 0.05 -0.51 1.80 0.78 -0.10 0.00 0.00 175.22 177.24 3ce6 h GLY 393 N 8.82 0.00 1.44 4.36 0.00 -1.87 0.34 103.07 116.15 3ce6 h GLY 393 Ca -0.29 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 3ce6 h GLY 393 CO 0.72 0.00 -0.16 1.29 0.00 0.00 0.00 176.54 178.39 3ce6 h ASP 394 N 0.00 0.66 0.00 0.19 3.04 -1.96 -3.26 116.42 115.08 3ce6 h ASP 394 Ca 0.00 -0.20 0.00 0.00 -3.24 0.00 0.00 57.03 53.59 3ce6 h ASP 394 Cb 0.70 -0.18 0.00 0.00 -1.04 0.00 0.00 39.33 38.81 3ce6 h ASP 394 CO 0.00 0.83 -1.56 0.35 -2.04 0.00 0.00 179.24 176.82 3ce6 n THR 395 N -4.15 0.00 -0.33 1.15 -2.24 -1.13 -4.99 114.28 102.59 3ce6 n THR 395 Ca 0.01 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3ce6 n THR 395 Cb 0.38 0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 3ce6 n THR 395 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ce6 n GLY 396 N 1.56 1.02 3.87 3.38 0.00 0.12 -5.03 105.19 110.11 3ce6 n GLY 396 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 3ce6 n GLY 396 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ce6 s ARG 397 N -0.49 3.84 0.09 1.61 0.52 -1.19 -4.82 118.95 118.51 3ce6 s ARG 397 Ca 0.00 0.40 0.07 0.00 -0.52 0.00 0.00 55.73 55.68 3ce6 s ARG 397 Cb 0.00 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.90 3ce6 s ARG 397 CO 0.00 0.20 -0.18 -1.12 0.02 0.00 0.00 175.30 174.22 3ce6 s SER 398 N -2.54 2.16 0.04 0.23 0.01 -1.26 -1.37 113.70 110.97 3ce6 s SER 398 Ca 0.50 -0.66 0.06 0.00 1.31 0.00 0.00 55.95 57.17 3ce6 s SER 398 Cb -0.11 -0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 3ce6 s SER 398 CO 0.22 -0.00 -0.19 -0.63 0.41 0.00 0.00 173.24 173.06 3ce6 s ILE 399 N -1.22 1.49 -0.21 1.44 -1.09 0.23 0.60 121.20 122.44 3ce6 s ILE 399 Ca 0.03 -1.10 -0.15 0.00 -2.23 0.00 0.00 60.65 57.20 3ce6 s ILE 399 Cb -0.10 -1.30 -0.04 0.00 -1.58 0.00 0.00 42.46 39.44 3ce6 s ILE 399 CO 0.03 0.17 0.35 -0.63 -1.23 0.00 0.00 174.94 173.63 3ce6 s ILE 400 N -0.78 5.23 -0.17 2.92 1.01 0.14 -0.48 121.20 129.08 3ce6 s ILE 400 Ca 0.06 0.59 -0.02 0.00 0.00 0.00 0.00 60.65 61.28 3ce6 s ILE 400 Cb -0.08 -3.68 -0.01 0.00 0.01 0.00 0.00 42.46 38.69 3ce6 s ILE 400 CO 0.01 0.27 -0.08 -0.69 0.00 0.00 0.00 174.94 174.45 3ce6 s VAL 401 N 1.27 3.33 -0.08 2.92 1.01 0.39 -0.10 120.40 129.15 3ce6 s VAL 401 Ca 0.16 -0.54 -0.18 0.00 0.00 0.00 0.00 61.98 61.43 3ce6 s VAL 401 Cb -0.14 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 3ce6 s VAL 401 CO 0.07 0.48 0.47 -0.76 0.00 0.00 0.00 175.10 175.37 3ce6 s LEU 402 N 0.76 4.33 -1.99 3.92 1.43 -0.49 -1.80 118.68 124.85 3ce6 s LEU 402 Ca -0.03 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 3ce6 s LEU 402 Cb -0.15 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.38 3ce6 s LEU 402 CO 0.02 0.08 0.00 -1.20 0.23 0.00 0.00 176.35 175.47 3ce6 n SER 403 N 3.20 -5.67 -3.92 2.29 7.64 0.23 -1.39 113.62 116.01 3ce6 n SER 403 Ca -0.08 0.26 -0.31 0.00 1.01 0.00 0.00 58.87 59.74 3ce6 n SER 403 Cb 0.52 -4.84 -0.01 0.00 -1.01 0.00 0.00 64.21 58.87 3ce6 n SER 403 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3ce6 n GLU 404 N -2.68 -3.73 0.00 1.43 1.02 -1.26 -0.26 120.64 115.16 3ce6 n GLU 404 Ca -0.22 0.44 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 3ce6 n GLU 404 Cb 0.68 -5.21 0.00 0.00 -0.02 0.00 0.00 31.44 26.89 3ce6 n GLU 404 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ce6 n GLY 405 N -1.39 2.19 3.88 0.62 0.00 -0.48 -4.96 105.19 105.05 3ce6 n GLY 405 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3ce6 n GLY 405 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ce6 s ARG 406 N -0.32 2.81 0.05 1.61 3.00 0.64 -4.08 118.95 122.66 3ce6 s ARG 406 Ca 0.00 0.47 -0.34 0.00 0.00 0.00 0.00 55.73 55.86 3ce6 s ARG 406 Cb 0.00 -2.01 -0.13 0.00 0.00 0.00 0.00 34.95 32.81 3ce6 s ARG 406 CO 0.00 -1.07 1.72 1.47 0.00 0.00 0.00 175.30 177.42 3ce6 n LEU 407 N -3.03 3.28 0.08 2.53 -0.00 -1.25 -4.52 117.00 114.08 3ce6 n LEU 407 Ca 0.07 1.03 0.00 0.00 -0.00 0.00 0.00 56.01 57.11 3ce6 n LEU 407 Cb 0.57 -1.41 -0.04 0.00 -0.00 0.00 0.00 43.42 42.54 3ce6 n LEU 407 CO 0.57 -0.17 0.05 0.17 -0.00 0.00 0.00 177.39 178.02 3ce6 h LEU 408 N 7.47 0.00 -0.36 1.47 8.10 -1.18 -1.86 115.31 128.95 3ce6 h LEU 408 Ca -0.47 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.51 3ce6 h LEU 408 Cb 1.26 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.47 3ce6 h LEU 408 CO 0.92 0.60 0.16 -0.55 -4.11 0.00 0.00 178.44 175.45 3ce6 h ASN 409 N 0.00 0.48 1.08 0.17 -1.07 -1.83 0.21 115.58 114.63 3ce6 h ASN 409 Ca -0.09 -0.15 -0.19 0.00 0.07 0.00 0.00 56.30 55.94 3ce6 h ASN 409 Cb 1.53 -0.12 -0.03 0.00 -2.07 0.00 0.00 38.32 37.63 3ce6 h ASN 409 CO 0.06 0.49 -0.92 -0.07 0.07 0.00 0.00 177.43 177.07 3ce6 h LEU 410 N 0.43 0.00 0.55 6.14 3.38 -1.82 -0.64 115.31 123.35 3ce6 h LEU 410 Ca 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3ce6 h LEU 410 Cb 0.15 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.91 3ce6 h LEU 410 CO -0.01 0.91 -0.26 1.23 0.09 0.00 0.00 178.44 180.40 3ce6 h GLY 411 N 3.09 -0.76 1.38 0.83 0.00 -1.19 -3.37 103.07 103.05 3ce6 h GLY 411 Ca -0.01 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3ce6 h GLY 411 CO 0.12 -0.28 -0.61 3.43 0.00 0.00 0.00 176.54 179.20 3ce6 h ASN 412 N -1.10 0.00 0.00 0.19 2.35 -1.14 -3.47 115.58 112.41 3ce6 h ASN 412 Ca -0.07 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3ce6 h ASN 412 Cb 0.62 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3ce6 h ASN 412 CO 0.12 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.91 3ce6 n ALA 413 N -2.12 0.00 -0.65 -0.83 0.00 -0.95 -4.51 120.51 111.46 3ce6 n ALA 413 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.50 3ce6 n ALA 413 Cb 0.53 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.05 3ce6 n ALA 413 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3ce6 n THR 414 N 0.00 1.31 -4.11 0.00 -2.24 -1.06 -4.65 114.28 103.53 3ce6 n THR 414 Ca 0.00 -1.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.30 3ce6 n THR 414 Cb 0.00 0.18 -0.00 0.00 -2.10 0.00 0.00 70.33 68.41 3ce6 n THR 414 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ce6 n GLY 415 N -0.88 -1.78 3.72 3.38 0.00 -0.29 -4.84 105.19 104.50 3ce6 n GLY 415 Ca 0.07 -1.31 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 3ce6 n GLY 415 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ce6 s HIS 416 N -0.07 2.03 0.66 1.61 3.76 -1.26 -4.69 115.29 117.33 3ce6 s HIS 416 Ca 0.00 1.53 -0.14 0.00 -0.15 0.00 0.00 55.06 56.31 3ce6 s HIS 416 Cb 0.00 -3.62 -0.00 0.00 1.11 0.00 0.00 32.58 30.06 3ce6 s HIS 416 CO 0.00 -2.85 1.08 -1.25 -0.85 0.00 0.00 174.74 170.87 3ce6 s PRO 417 N -3.58 2.94 0.26 8.40 0.04 -1.26 -4.85 135.00 136.95 3ce6 s PRO 417 Ca 0.80 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 63.03 3ce6 s PRO 417 Cb -0.35 -1.98 0.56 0.00 0.04 0.00 0.00 34.50 32.78 3ce6 s PRO 417 CO 0.42 -1.11 1.73 0.77 0.04 0.00 0.00 177.00 178.84 3ce6 h SER 418 N -0.14 0.34 0.25 6.66 0.02 -1.94 -1.54 113.55 117.20 3ce6 h SER 418 Ca -0.46 0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.57 3ce6 h SER 418 Cb 1.23 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 3ce6 h SER 418 CO 0.55 0.10 -0.22 0.15 -1.14 0.00 0.00 176.83 176.27 3ce6 h PHE 419 N 0.47 0.00 0.09 3.45 3.04 -1.90 -0.69 116.94 121.40 3ce6 h PHE 419 Ca 0.47 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.42 3ce6 h PHE 419 Cb 0.77 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.28 3ce6 h PHE 419 CO -0.14 0.22 -0.05 0.28 -2.02 0.00 0.00 178.31 176.60 3ce6 h VAL 420 N 0.00 1.14 0.00 1.41 2.07 -1.61 -3.22 116.25 116.04 3ce6 h VAL 420 Ca -0.00 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.34 3ce6 h VAL 420 Cb 0.41 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 3ce6 h VAL 420 CO 0.03 0.27 0.05 0.24 0.02 0.00 0.00 177.57 178.18 3ce6 h MET 421 N -0.70 0.00 -0.42 1.57 2.86 -0.75 -1.80 114.93 115.69 3ce6 h MET 421 Ca -0.01 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 3ce6 h MET 421 Cb 0.54 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3ce6 h MET 421 CO 0.02 0.00 -0.04 1.03 1.06 0.00 0.00 176.91 178.98 3ce6 h SER 422 N 0.00 0.68 0.18 1.22 0.87 -1.16 0.44 113.55 115.79 3ce6 h SER 422 Ca 0.00 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.38 3ce6 h SER 422 Cb 0.10 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3ce6 h SER 422 CO 0.00 0.78 -0.09 0.78 -0.53 0.00 0.00 176.83 177.77 3ce6 h ASN 423 N 0.66 -0.21 -0.74 6.23 4.21 -1.44 -0.57 115.58 123.72 3ce6 h ASN 423 Ca 0.13 -0.21 -0.01 0.00 1.21 0.00 0.00 56.30 57.41 3ce6 h ASN 423 Cb 0.47 0.05 -0.04 0.00 -1.12 0.00 0.00 38.32 37.69 3ce6 h ASN 423 CO 0.02 0.10 0.41 0.28 -1.29 0.00 0.00 177.43 176.96 3ce6 h SER 424 N -0.53 0.93 0.97 5.81 0.02 -1.48 -1.49 113.55 117.78 3ce6 h SER 424 Ca -0.03 -0.10 -0.22 0.00 -0.84 0.00 0.00 61.79 60.61 3ce6 h SER 424 Cb 0.40 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 3ce6 h SER 424 CO 0.04 0.76 -1.03 -0.26 -1.14 0.00 0.00 176.83 175.20 3ce6 h PHE 425 N 1.03 0.03 -0.46 3.45 0.04 -0.19 -1.06 116.94 119.77 3ce6 h PHE 425 Ca 0.26 -0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.94 3ce6 h PHE 425 Cb 0.03 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.17 3ce6 h PHE 425 CO -0.00 1.02 -0.01 0.00 -0.60 0.00 0.00 178.31 178.72 3ce6 h ALA 426 N 0.98 0.63 -0.51 2.45 0.00 -0.90 -1.67 119.26 120.22 3ce6 h ALA 426 Ca -0.02 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 54.70 3ce6 h ALA 426 Cb 1.79 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.33 3ce6 h ALA 426 CO 0.13 0.43 0.06 -0.91 0.00 0.00 0.00 179.25 178.96 3ce6 h ASN 427 N 0.67 -0.09 -0.20 0.00 -0.26 -1.03 -0.81 115.58 113.85 3ce6 h ASN 427 Ca 0.13 0.11 -0.14 0.00 -0.56 0.00 0.00 56.30 55.83 3ce6 h ASN 427 Cb 0.51 0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.93 3ce6 h ASN 427 CO 0.02 -0.02 -0.38 -0.61 -1.06 0.00 0.00 177.43 175.38 3ce6 h GLN 428 N 0.18 0.74 -0.16 0.81 4.15 -1.11 -0.37 115.11 119.35 3ce6 h GLN 428 Ca 0.26 -0.38 -0.01 0.00 0.77 0.00 0.00 58.65 59.30 3ce6 h GLN 428 Cb 0.38 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 3ce6 h GLN 428 CO -0.38 1.00 0.06 1.15 -1.93 0.00 0.00 178.83 178.73 3ce6 h THR 429 N 0.61 1.15 -0.82 2.39 2.02 -1.19 0.31 112.91 117.38 3ce6 h THR 429 Ca 0.05 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 3ce6 h THR 429 Cb 0.93 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 3ce6 h THR 429 CO 0.08 0.15 0.49 0.40 0.37 0.00 0.00 175.52 177.01 3ce6 h ILE 430 N 0.11 1.23 -0.46 3.11 2.04 -0.91 -0.35 117.51 122.27 3ce6 h ILE 430 Ca 0.05 -0.51 -0.14 0.00 1.00 0.00 0.00 64.86 65.27 3ce6 h ILE 430 Cb 0.17 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 3ce6 h ILE 430 CO -0.00 0.24 -0.26 0.00 0.00 0.00 0.00 178.15 178.13 3ce6 h ALA 431 N 1.41 0.68 -0.60 1.87 0.00 -0.68 -0.01 119.26 121.93 3ce6 h ALA 431 Ca 0.30 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 3ce6 h ALA 431 Cb -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3ce6 h ALA 431 CO -0.06 0.68 0.07 1.96 0.00 0.00 0.00 179.25 181.90 3ce6 h GLN 432 N 0.83 0.99 -0.23 0.00 1.08 -0.42 -0.79 115.11 116.58 3ce6 h GLN 432 Ca 0.10 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 3ce6 h GLN 432 Cb 0.84 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 3ce6 h GLN 432 CO 0.07 0.93 0.09 0.82 -0.95 0.00 0.00 178.83 179.80 3ce6 h ILE 433 N 0.93 1.16 -0.21 2.54 2.04 -0.70 -0.51 117.51 122.76 3ce6 h ILE 433 Ca 0.18 -0.50 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 3ce6 h ILE 433 Cb 0.44 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 3ce6 h ILE 433 CO 0.01 0.16 -0.17 -0.33 0.00 0.00 0.00 178.15 177.83 3ce6 h GLU 434 N 0.22 0.49 -0.17 2.37 4.39 -0.76 0.42 114.58 121.54 3ce6 h GLU 434 Ca 0.08 -0.24 -0.11 0.00 0.34 0.00 0.00 59.36 59.43 3ce6 h GLU 434 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 3ce6 h GLU 434 CO -0.01 0.81 -0.35 -0.07 -1.16 0.00 0.00 179.01 178.23 3ce6 h LEU 435 N 0.18 0.38 0.16 1.33 3.38 -1.02 -1.25 115.31 118.47 3ce6 h LEU 435 Ca 0.04 -0.15 -0.23 0.00 0.09 0.00 0.00 57.88 57.63 3ce6 h LEU 435 Cb 0.70 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 41.36 3ce6 h LEU 435 CO 0.04 0.70 -1.04 -0.25 0.09 0.00 0.00 178.44 177.99 3ce6 h TRP 436 N 0.31 0.62 0.00 1.13 2.91 -0.91 -3.20 115.95 116.82 3ce6 h TRP 436 Ca 0.04 -0.45 0.00 0.00 1.13 0.00 0.00 58.89 59.60 3ce6 h TRP 436 Cb 0.77 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.39 3ce6 h TRP 436 CO 0.02 1.40 -0.97 0.25 -1.03 0.00 0.00 178.44 178.11 3ce6 n THR 437 N -4.01 0.49 -2.06 2.65 -2.24 0.12 -4.07 114.28 105.16 3ce6 n THR 437 Ca -0.16 -0.46 -0.07 0.00 -2.27 0.00 0.00 64.05 61.09 3ce6 n THR 437 Cb 0.89 -0.22 0.09 0.00 -2.10 0.00 0.00 70.33 68.99 3ce6 n THR 437 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3ce6 n LYS 438 N -2.46 2.23 -0.09 -0.78 5.02 -0.47 -4.92 118.16 116.69 3ce6 n LYS 438 Ca 0.01 -3.52 -0.01 0.00 -2.02 0.00 0.00 58.31 52.77 3ce6 n LYS 438 Cb 0.52 -1.68 0.26 0.00 -0.02 0.00 0.00 35.03 34.10 3ce6 n LYS 438 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 3ce6 h ASN 439 N 1.71 0.66 0.19 4.39 -0.73 -1.70 -1.96 115.58 118.15 3ce6 h ASN 439 Ca 0.10 -0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.18 3ce6 h ASN 439 Cb 1.37 -0.17 -0.00 0.00 0.27 0.00 0.00 38.32 39.79 3ce6 h ASN 439 CO 0.34 0.62 -0.02 0.44 -0.37 0.00 0.00 177.43 178.45 3ce6 h ASP 440 N 0.71 0.00 0.95 1.15 3.32 -1.91 -2.68 116.42 117.97 3ce6 h ASP 440 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3ce6 h ASP 440 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3ce6 h ASP 440 CO -0.01 0.02 0.00 -0.33 -1.72 0.00 0.00 179.24 177.19 3ce6 h GLU 441 N 0.00 0.00 -5.55 3.56 5.08 -1.76 -3.45 114.58 112.46 3ce6 h GLU 441 Ca -0.00 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.71 3ce6 h GLU 441 Cb 0.11 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.18 3ce6 h GLU 441 CO 0.00 0.00 -0.63 0.71 -1.00 0.00 0.00 179.01 178.09 3ce6 s TYR 442 N -3.35 3.12 0.82 4.33 1.51 -1.01 -5.12 117.35 117.65 3ce6 s TYR 442 Ca 0.05 -0.04 -0.10 0.00 -1.01 0.00 0.00 57.07 55.97 3ce6 s TYR 442 Cb 0.10 -1.92 0.18 0.00 -0.11 0.00 0.00 41.96 40.21 3ce6 s TYR 442 CO 0.46 0.19 1.12 -0.25 -1.11 0.00 0.00 175.55 175.97 3ce6 n ASP 443 N 3.01 0.52 -3.97 2.29 8.00 -1.26 -4.87 116.55 120.27 3ce6 n ASP 443 Ca -0.18 -1.67 -0.43 0.00 0.71 0.00 0.00 54.79 53.23 3ce6 n ASP 443 Cb 0.53 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 3ce6 n ASP 443 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3ce6 n ASN 444 N -3.47 4.78 -3.77 -2.24 3.02 -1.26 -3.99 115.26 108.33 3ce6 n ASN 444 Ca 0.15 -3.01 -0.15 0.00 -0.03 0.00 0.00 54.58 51.54 3ce6 n ASN 444 Cb 0.54 -1.56 -0.09 0.00 -0.61 0.00 0.00 39.78 38.07 3ce6 n ASN 444 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3ce6 s GLU 445 N 1.57 1.49 -0.16 3.52 2.02 -1.26 -4.87 118.70 121.00 3ce6 s GLU 445 Ca 0.43 -1.80 -0.12 0.00 0.02 0.00 0.00 54.97 53.50 3ce6 s GLU 445 Cb 0.09 0.31 -0.05 0.00 0.10 0.00 0.00 34.13 34.58 3ce6 s GLU 445 CO -0.01 -0.53 0.23 0.08 0.02 0.00 0.00 175.26 175.04 3ce6 s VAL 446 N -3.78 5.35 0.27 2.63 1.01 -1.26 -1.38 120.40 123.24 3ce6 s VAL 446 Ca 0.39 0.41 0.11 0.00 0.00 0.00 0.00 61.98 62.89 3ce6 s VAL 446 Cb 0.04 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 3ce6 s VAL 446 CO 0.19 0.43 -0.19 -0.31 0.00 0.00 0.00 175.10 175.23 3ce6 s TYR 447 N 0.24 2.20 0.14 5.22 1.51 -0.18 -4.96 117.35 121.52 3ce6 s TYR 447 Ca 0.14 -0.38 0.11 0.00 -1.01 0.00 0.00 57.07 55.93 3ce6 s TYR 447 Cb -0.12 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 3ce6 s TYR 447 CO 0.02 0.66 -0.26 1.03 -1.11 0.00 0.00 175.55 175.89 3ce6 s ARG 448 N -3.54 1.43 0.55 -0.62 0.52 -1.26 -0.55 118.95 115.48 3ce6 s ARG 448 Ca 0.29 -1.38 -0.21 0.00 -0.52 0.00 0.00 55.73 53.91 3ce6 s ARG 448 Cb -0.04 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.49 3ce6 s ARG 448 CO 0.14 0.44 1.23 -0.51 0.02 0.00 0.00 175.30 176.62 3ce6 s LEU 449 N -2.19 3.80 0.68 2.53 1.43 -1.26 -4.98 118.68 118.70 3ce6 s LEU 449 Ca 0.15 2.46 -0.15 0.00 -1.03 0.00 0.00 54.13 55.56 3ce6 s LEU 449 Cb -0.10 -4.43 0.01 0.00 0.03 0.00 0.00 46.19 41.71 3ce6 s LEU 449 CO 0.07 -1.41 1.14 -2.16 0.23 0.00 0.00 176.35 174.23 3ce6 s PRO 450 N -3.06 2.55 0.41 1.29 0.04 -1.26 -4.89 135.00 130.09 3ce6 s PRO 450 Ca 0.72 1.53 0.09 0.00 0.04 0.00 0.00 61.00 63.38 3ce6 s PRO 450 Cb -0.32 -1.91 0.85 0.00 0.04 0.00 0.00 34.50 33.16 3ce6 s PRO 450 CO 0.37 -1.47 1.99 -0.22 0.04 0.00 0.00 177.00 177.72 3ce6 h LYS 451 N -0.08 0.35 0.00 4.56 3.64 -1.98 -1.83 116.57 121.23 3ce6 h LYS 451 Ca -0.47 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.83 3ce6 h LYS 451 Cb 1.26 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 3ce6 h LYS 451 CO 0.52 0.34 -0.14 1.12 -2.27 0.00 0.00 179.45 179.03 3ce6 h HIS 452 N 0.35 0.00 0.05 1.91 2.07 -1.97 -0.69 115.15 116.87 3ce6 h HIS 452 Ca 0.08 0.00 -0.24 0.00 -2.85 0.00 0.00 60.37 57.36 3ce6 h HIS 452 Cb 0.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.15 3ce6 h HIS 452 CO 0.00 0.14 -1.05 -0.07 -3.07 0.00 0.00 177.93 173.88 3ce6 h LEU 453 N 0.00 0.49 -0.40 6.12 3.38 -1.70 -1.21 115.31 122.00 3ce6 h LEU 453 Ca -0.00 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 3ce6 h LEU 453 Cb 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3ce6 h LEU 453 CO 0.02 1.27 0.20 0.44 0.09 0.00 0.00 178.44 180.46 3ce6 h ASP 454 N 0.17 0.51 -0.95 -0.43 5.19 -1.32 -2.04 116.42 117.55 3ce6 h ASP 454 Ca -0.10 -0.11 0.03 0.00 -0.62 0.00 0.00 57.03 56.23 3ce6 h ASP 454 Cb 1.72 -0.13 -0.05 0.00 0.18 0.00 0.00 39.33 41.04 3ce6 h ASP 454 CO 0.18 0.47 0.63 -0.33 -3.12 0.00 0.00 179.24 177.07 3ce6 h GLU 455 N 0.51 1.18 -0.67 3.56 5.08 -1.06 -0.77 114.58 122.41 3ce6 h GLU 455 Ca 0.14 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3ce6 h GLU 455 Cb 0.09 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 3ce6 h GLU 455 CO -0.02 0.78 0.33 -0.22 -1.00 0.00 0.00 179.01 178.89 3ce6 h LYS 456 N 1.22 0.96 -0.31 2.33 3.64 -0.95 -0.21 116.57 123.24 3ce6 h LYS 456 Ca 0.37 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.56 3ce6 h LYS 456 Cb -0.02 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 3ce6 h LYS 456 CO -0.11 0.75 -0.05 0.28 -2.27 0.00 0.00 179.45 178.06 3ce6 h VAL 457 N 0.93 1.27 -0.58 2.00 2.07 -0.89 -2.77 116.25 118.29 3ce6 h VAL 457 Ca 0.23 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.72 3ce6 h VAL 457 Cb 0.10 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3ce6 h VAL 457 CO -0.03 0.34 0.34 0.00 0.02 0.00 0.00 177.57 178.24 3ce6 h ALA 458 N 0.81 0.75 -0.92 1.67 0.00 -0.76 -2.97 119.26 117.84 3ce6 h ALA 458 Ca 0.08 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.02 3ce6 h ALA 458 Cb 0.52 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 3ce6 h ALA 458 CO 0.03 0.06 0.60 -0.09 0.00 0.00 0.00 179.25 179.84 3ce6 h ARG 459 N 0.68 1.11 -0.98 0.00 2.43 -0.78 0.29 114.38 117.12 3ce6 h ARG 459 Ca 0.24 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3ce6 h ARG 459 Cb 0.04 -0.25 -0.05 0.00 -0.42 0.00 0.00 29.97 29.29 3ce6 h ARG 459 CO -0.11 0.74 0.64 0.82 -1.51 0.00 0.00 179.97 180.54 3ce6 h ILE 460 N 1.15 1.26 0.00 1.20 2.04 -1.34 -0.94 117.51 120.87 3ce6 h ILE 460 Ca 0.37 -0.48 -0.23 0.00 1.00 0.00 0.00 64.86 65.52 3ce6 h ILE 460 Cb 0.03 -0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 35.90 3ce6 h ILE 460 CO -0.13 0.25 -1.20 0.45 0.00 0.00 0.00 178.15 177.52 3ce6 h HIS 461 N 1.33 0.00 -0.32 1.37 3.86 -1.05 -1.62 115.15 118.72 3ce6 h HIS 461 Ca 0.36 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.58 3ce6 h HIS 461 Cb -0.13 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 3ce6 h HIS 461 CO 0.00 0.99 0.19 0.28 0.86 0.00 0.00 177.93 180.25 3ce6 h VAL 462 N 0.00 1.04 -0.69 2.45 2.07 -0.80 -0.76 116.25 119.56 3ce6 h VAL 462 Ca -0.09 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.23 3ce6 h VAL 462 Cb 1.83 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 3ce6 h VAL 462 CO 0.11 0.07 0.15 -0.08 0.02 0.00 0.00 177.57 177.84 3ce6 h GLU 463 N 0.38 1.13 -0.42 1.57 4.57 -1.08 0.37 114.58 121.10 3ce6 h GLU 463 Ca 0.12 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 3ce6 h GLU 463 Cb -0.00 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.42 3ce6 h GLU 463 CO -0.06 1.00 0.26 0.00 -1.18 0.00 0.00 179.01 179.04 3ce6 h ALA 464 N 1.09 1.67 -0.00 2.92 0.00 -0.85 -1.16 119.26 122.91 3ce6 h ALA 464 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3ce6 h ALA 464 Cb 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3ce6 h ALA 464 CO 0.01 0.30 -0.10 1.28 0.00 0.00 0.00 179.25 180.73 3ce6 n LEU 465 N -4.45 0.52 0.00 0.00 4.77 -0.33 -4.95 117.00 112.55 3ce6 n LEU 465 Ca 0.03 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3ce6 n LEU 465 Cb 0.07 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3ce6 n LEU 465 CO 0.36 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3ce6 n GLY 466 N 1.26 0.60 3.86 -0.72 0.00 -0.44 -5.05 105.19 104.70 3ce6 n GLY 466 Ca 0.15 -0.75 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 3ce6 n GLY 466 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ce6 s GLY 467 N -2.70 1.86 -0.31 -0.02 0.00 0.05 -5.01 107.32 101.19 3ce6 s GLY 467 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 44.72 44.74 3ce6 s GLY 467 CO 0.00 0.24 -0.02 0.30 0.00 0.00 0.00 173.10 173.63 3ce6 s HIS 468 N -2.81 3.53 0.28 1.90 3.76 -1.26 -4.57 115.29 116.12 3ce6 s HIS 468 Ca 0.56 -2.66 -0.29 0.00 -0.15 0.00 0.00 55.06 52.51 3ce6 s HIS 468 Cb -0.10 -2.48 -0.10 0.00 1.11 0.00 0.00 32.58 31.01 3ce6 s HIS 468 CO 0.41 -0.92 1.15 -0.51 -0.85 0.00 0.00 174.74 174.02 3ce6 s LEU 469 N 1.00 4.52 0.24 0.89 1.43 -1.26 -5.05 118.68 120.45 3ce6 s LEU 469 Ca 0.02 2.35 -0.28 0.00 -1.03 0.00 0.00 54.13 55.19 3ce6 s LEU 469 Cb -0.20 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.31 3ce6 s LEU 469 CO -0.06 -0.24 0.90 -0.89 0.23 0.00 0.00 176.35 176.28 3ce6 s THR 470 N -1.08 4.18 -0.20 5.49 2.01 -1.26 -5.07 115.64 119.71 3ce6 s THR 470 Ca 0.46 1.93 -0.10 0.00 0.31 0.00 0.00 61.69 64.28 3ce6 s THR 470 Cb -0.34 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 67.91 3ce6 s THR 470 CO 0.43 0.43 0.14 -0.75 -0.69 0.00 0.00 174.62 174.18 3ce6 s LYS 471 N -1.36 4.19 0.49 4.92 2.20 -1.26 -5.08 119.74 123.84 3ce6 s LYS 471 Ca 0.42 -0.20 -0.23 0.00 -0.36 0.00 0.00 55.97 55.59 3ce6 s LYS 471 Cb -0.24 -3.43 -0.07 0.00 -1.51 0.00 0.00 37.83 32.59 3ce6 s LYS 471 CO 0.29 0.28 1.29 -0.51 -0.36 0.00 0.00 175.35 176.34 3ce6 s LEU 472 N 0.41 3.98 0.83 5.43 1.43 -1.26 -5.02 118.68 124.48 3ce6 s LEU 472 Ca 0.09 2.61 -0.12 0.00 -1.03 0.00 0.00 54.13 55.67 3ce6 s LEU 472 Cb -0.11 -4.18 0.09 0.00 0.03 0.00 0.00 46.19 42.02 3ce6 s LEU 472 CO -0.01 -1.21 1.14 0.42 0.23 0.00 0.00 176.35 176.92 3ce6 s THR 473 N -1.37 2.32 0.21 5.49 -4.23 -1.26 -4.86 115.64 111.94 3ce6 s THR 473 Ca 0.66 0.10 -0.10 0.00 -1.18 0.00 0.00 61.69 61.17 3ce6 s THR 473 Cb -0.36 -2.98 0.17 0.00 1.34 0.00 0.00 72.50 70.66 3ce6 s THR 473 CO 0.44 -0.14 1.89 0.50 -0.54 0.00 0.00 174.62 176.77 3ce6 h LYS 474 N -1.18 1.02 -0.27 3.99 3.64 -1.99 0.43 116.57 122.22 3ce6 h LYS 474 Ca -0.48 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 3ce6 h LYS 474 Cb 1.31 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3ce6 h LYS 474 CO 0.63 0.68 0.09 0.93 -2.27 0.00 0.00 179.45 179.51 3ce6 h GLU 475 N 1.05 0.42 -0.77 1.90 5.08 -1.99 -0.78 114.58 119.50 3ce6 h GLU 475 Ca 0.28 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3ce6 h GLU 475 Cb -0.12 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.03 3ce6 h GLU 475 CO -0.06 0.49 0.48 1.96 -1.00 0.00 0.00 179.01 180.88 3ce6 h GLN 476 N 0.28 1.03 -0.64 2.33 4.20 -1.86 -1.23 115.11 119.21 3ce6 h GLN 476 Ca 0.09 -0.08 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3ce6 h GLN 476 Cb 0.24 -0.22 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 3ce6 h GLN 476 CO -0.00 0.71 0.13 0.00 -0.67 0.00 0.00 178.83 179.00 3ce6 h ALA 477 N 1.26 1.02 -0.40 3.87 0.00 -0.67 -1.29 119.26 123.04 3ce6 h ALA 477 Ca 0.28 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3ce6 h ALA 477 Cb -0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3ce6 h ALA 477 CO -0.06 0.63 0.03 1.49 0.00 0.00 0.00 179.25 181.35 3ce6 h GLU 478 N 0.98 0.63 -0.48 0.00 4.81 -0.98 0.12 114.58 119.66 3ce6 h GLU 478 Ca 0.20 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 3ce6 h GLU 478 Cb 0.38 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 3ce6 h GLU 478 CO 0.01 0.63 -0.20 -0.92 -0.73 0.00 0.00 179.01 177.80 3ce6 h TYR 479 N 0.60 1.09 0.00 0.92 3.20 -0.41 -2.33 116.97 120.04 3ce6 h TYR 479 Ca 0.13 -0.25 0.00 0.00 3.14 0.00 0.00 58.73 61.75 3ce6 h TYR 479 Cb 0.33 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.35 3ce6 h TYR 479 CO 0.01 1.06 0.00 1.28 -1.64 0.00 0.00 178.16 178.87 3ce6 n LEU 480 N -4.12 0.71 -3.26 2.82 4.77 -0.56 -4.95 117.00 112.42 3ce6 n LEU 480 Ca 0.00 0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 56.35 3ce6 n LEU 480 Cb 0.44 -0.36 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 3ce6 n LEU 480 CO 0.46 -0.20 0.22 0.61 -1.33 0.00 0.00 177.39 177.15 3ce6 n GLY 481 N 1.19 -0.38 3.35 -0.72 0.00 -0.15 -5.05 105.19 103.43 3ce6 n GLY 481 Ca 0.05 0.15 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 3ce6 n GLY 481 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ce6 s VAL 482 N -3.29 1.81 0.41 1.61 -7.23 -0.19 -5.03 120.40 108.50 3ce6 s VAL 482 Ca 0.51 -2.13 -0.23 0.00 -1.81 0.00 0.00 61.98 58.31 3ce6 s VAL 482 Cb -0.22 -2.00 -0.09 0.00 0.56 0.00 0.00 36.38 34.63 3ce6 s VAL 482 CO 0.65 -0.50 1.02 -1.81 -0.31 0.00 0.00 175.10 174.15 3ce6 s ASP 483 N -3.13 6.78 0.45 4.85 1.01 -1.26 -4.37 116.67 121.01 3ce6 s ASP 483 Ca 0.21 1.94 0.16 0.00 0.71 0.00 0.00 52.55 55.57 3ce6 s ASP 483 Cb -0.03 -2.57 1.10 0.00 1.01 0.00 0.00 42.92 42.43 3ce6 s ASP 483 CO 0.07 -0.47 1.98 0.58 0.21 0.00 0.00 175.17 177.55 3ce6 h VAL 484 N 2.09 0.87 -0.14 -1.27 2.07 -1.93 -0.82 116.25 117.11 3ce6 h VAL 484 Ca -0.48 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3ce6 h VAL 484 Cb 1.21 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3ce6 h VAL 484 CO 0.62 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 177.65 3ce6 n GLU 485 N -4.46 1.45 -0.15 1.57 -0.58 -1.26 -4.71 120.64 112.50 3ce6 n GLU 485 Ca 0.10 -0.69 0.02 0.00 -0.42 0.00 0.00 57.16 56.17 3ce6 n GLU 485 Cb 0.41 -1.27 -0.01 0.00 -0.57 0.00 0.00 31.44 30.00 3ce6 n GLU 485 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ce6 n GLY 486 N 0.92 -2.13 3.78 0.62 0.00 -0.31 -4.95 105.19 103.12 3ce6 n GLY 486 Ca 0.12 -1.45 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 3ce6 n GLY 486 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3ce6 s PRO 487 N -0.81 2.64 0.00 1.61 0.04 -1.26 -4.54 135.00 132.67 3ce6 s PRO 487 Ca 0.00 1.19 0.16 0.00 0.04 0.00 0.00 61.00 62.38 3ce6 s PRO 487 Cb 0.00 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.59 3ce6 s PRO 487 CO 0.00 -1.35 0.84 0.66 0.04 0.00 0.00 177.00 177.19 3ce6 n TYR 488 N -3.01 0.00 -4.12 0.56 4.01 -1.26 -4.47 117.16 108.87 3ce6 n TYR 488 Ca 0.09 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.69 3ce6 n TYR 488 Cb 0.53 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.45 3ce6 n TYR 488 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 3ce6 s LYS 489 N -1.85 0.70 0.76 -0.72 -0.14 -1.26 -5.02 119.74 112.20 3ce6 s LYS 489 Ca 0.13 -0.97 -0.13 0.00 -1.36 0.00 0.00 55.97 53.65 3ce6 s LYS 489 Cb 0.13 -0.43 0.06 0.00 -1.68 0.00 0.00 37.83 35.90 3ce6 s LYS 489 CO 0.39 0.07 1.14 -2.14 -0.76 0.00 0.00 175.35 174.05 3ce6 s PRO 490 N -2.20 2.11 0.44 -1.68 0.02 -1.26 -4.92 135.00 127.49 3ce6 s PRO 490 Ca -0.02 1.46 0.15 0.00 0.02 0.00 0.00 61.00 62.61 3ce6 s PRO 490 Cb -0.06 -1.86 0.97 0.00 0.02 0.00 0.00 34.50 33.57 3ce6 s PRO 490 CO -0.00 -1.80 1.96 0.22 -0.33 0.00 0.00 177.00 177.05 3ce6 h ASP 491 N -0.76 0.00 -0.23 2.53 3.58 -2.03 -0.97 116.42 118.55 3ce6 h ASP 491 Ca -0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 3ce6 h ASP 491 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 3ce6 h ASP 491 CO 0.50 0.22 0.00 0.00 -2.88 0.00 0.00 179.24 177.07 3ce6 n HIS 492 N -4.25 0.31 -2.05 0.28 1.44 -1.26 -4.95 115.22 104.74 3ce6 n HIS 492 Ca -0.02 -0.15 -0.39 0.00 -2.01 0.00 0.00 57.72 55.14 3ce6 n HIS 492 Cb 0.28 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.39 3ce6 n HIS 492 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 3ce6 s TYR 493 N -1.69 2.76 -0.85 -1.40 5.04 -0.37 -4.93 117.35 115.91 3ce6 s TYR 493 Ca 0.17 1.42 0.11 0.00 -2.44 0.00 0.00 57.07 56.33 3ce6 s TYR 493 Cb 0.09 -3.64 -0.04 0.00 0.35 0.00 0.00 41.96 38.71 3ce6 s TYR 493 CO 0.12 -2.10 0.60 0.54 -1.34 0.00 0.00 175.55 173.37 3ce6 n ARG 494 N -0.09 2.49 -0.27 4.97 1.74 -1.26 -5.03 116.66 119.20 3ce6 n ARG 494 Ca 0.05 -0.43 0.00 0.00 -0.77 0.00 0.00 57.85 56.69 3ce6 n ARG 494 Cb 0.44 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 3ce6 n ARG 494 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77