#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 1.09 0.64 -5.08 -4.23 -1.26 -5.14 115.64 101.67 3ce6 s THR 12 Ca 0.00 -1.37 -0.17 0.00 -1.18 0.00 0.00 61.69 58.97 3ce6 s THR 12 Cb 0.00 -1.13 -0.01 0.00 1.34 0.00 0.00 72.50 72.71 3ce6 s THR 12 CO 0.00 -0.29 1.18 -2.84 -0.54 0.00 0.00 174.62 172.13 3ce6 s PRO 13 N -1.94 2.72 0.35 3.99 0.02 -1.26 -5.00 135.00 133.88 3ce6 s PRO 13 Ca -0.00 1.69 -0.12 0.00 0.02 0.00 0.00 61.00 62.59 3ce6 s PRO 13 Cb -0.09 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 32.45 3ce6 s PRO 13 CO 0.02 -1.37 0.73 -0.51 -0.33 0.00 0.00 177.00 175.53 3ce6 s ASP 14 N -1.96 6.63 -0.03 2.53 1.01 -0.20 -4.90 116.67 119.75 3ce6 s ASP 14 Ca 0.74 1.15 0.00 0.00 0.71 0.00 0.00 52.55 55.15 3ce6 s ASP 14 Cb -0.27 -2.32 0.03 0.00 1.01 0.00 0.00 42.92 41.36 3ce6 s ASP 14 CO 0.38 -0.28 -0.00 -0.69 0.21 0.00 0.00 175.17 174.78 3ce6 s VAL 15 N -2.15 0.22 -0.16 -1.27 1.01 -1.26 -1.19 120.40 115.59 3ce6 s VAL 15 Ca 0.52 0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.49 3ce6 s VAL 15 Cb -0.10 -0.31 0.06 0.00 0.00 0.00 0.00 36.38 36.02 3ce6 s VAL 15 CO 0.25 0.16 0.39 -0.60 0.00 0.00 0.00 175.10 175.30 3ce6 s ARG 16 N 1.11 0.37 -1.37 2.72 3.52 -0.09 -4.89 118.95 120.31 3ce6 s ARG 16 Ca -0.09 0.78 -0.11 0.00 -0.13 0.00 0.00 55.73 56.18 3ce6 s ARG 16 Cb -0.13 -0.02 0.09 0.00 -1.56 0.00 0.00 34.95 33.33 3ce6 s ARG 16 CO -0.02 -0.17 0.58 -1.71 -0.81 0.00 0.00 175.30 173.18 3ce6 n ASN 17 N 4.33 -3.73 0.00 -2.12 5.15 -1.26 -0.92 115.26 116.72 3ce6 n ASN 17 Ca -0.23 -0.52 0.00 0.00 -0.60 0.00 0.00 54.58 53.23 3ce6 n ASN 17 Cb 0.55 -3.07 0.00 0.00 -0.53 0.00 0.00 39.78 36.73 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 -1.25 0.63 3.43 8.20 0.00 -1.26 -4.94 105.19 110.01 3ce6 n GLY 18 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.48 3.66 0.09 -0.61 1.01 -0.10 -5.08 121.20 117.68 3ce6 s ILE 19 Ca 0.00 -0.43 -0.17 0.00 0.00 0.00 0.00 60.65 60.05 3ce6 s ILE 19 Cb 0.00 -2.61 -0.07 0.00 0.01 0.00 0.00 42.46 39.79 3ce6 s ILE 19 CO 0.00 0.47 0.53 1.51 0.00 0.00 0.00 174.94 177.45 3ce6 s ASP 20 N 0.70 6.94 -0.04 3.58 -4.77 -1.26 -0.92 116.67 120.90 3ce6 s ASP 20 Ca -0.02 1.14 -0.30 0.00 -3.30 0.00 0.00 52.55 50.07 3ce6 s ASP 20 Cb -0.15 -2.31 0.11 0.00 -1.09 0.00 0.00 42.92 39.48 3ce6 s ASP 20 CO 0.02 0.23 0.96 0.72 0.70 0.00 0.00 175.17 177.79 3ce6 s PHE 21 N -1.23 -0.30 -0.18 2.11 -0.71 -0.33 -4.06 117.98 113.28 3ce6 s PHE 21 Ca 0.31 0.18 -0.05 0.00 -1.04 0.00 0.00 56.93 56.33 3ce6 s PHE 21 Cb -0.17 0.53 0.06 0.00 -1.21 0.00 0.00 43.02 42.23 3ce6 s PHE 21 CO 0.18 -0.48 0.09 0.21 -1.34 0.00 0.00 175.22 173.89 3ce6 s LYS 22 N -2.98 0.07 0.25 1.99 2.47 0.42 -1.03 119.74 120.93 3ce6 s LYS 22 Ca 0.06 -0.12 0.01 0.00 -1.56 0.00 0.00 55.97 54.36 3ce6 s LYS 22 Cb -0.01 -1.77 -0.04 0.00 -1.46 0.00 0.00 37.83 34.55 3ce6 s LYS 22 CO -0.08 -0.70 0.13 0.96 0.16 0.00 0.00 175.35 175.82 3ce6 s ILE 23 N 2.14 0.27 0.04 5.43 -4.36 -1.26 -0.90 121.20 122.56 3ce6 s ILE 23 Ca 0.03 -2.00 -0.25 0.00 -0.26 0.00 0.00 60.65 58.16 3ce6 s ILE 23 Cb -0.16 -2.55 -0.17 0.00 1.25 0.00 0.00 42.46 40.83 3ce6 s ILE 23 CO -0.12 0.00 1.50 0.00 0.24 0.00 0.00 174.94 176.57 3ce6 h ALA 24 N 2.42 -0.20 -0.83 2.27 0.00 -1.90 -3.46 119.26 117.56 3ce6 h ALA 24 Ca -0.36 -0.12 0.14 0.00 0.00 0.00 0.00 54.91 54.57 3ce6 h ALA 24 Cb 1.25 0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.90 3ce6 h ALA 24 CO 0.55 -0.51 -0.11 0.34 0.00 0.00 0.00 179.25 179.51 3ce6 s ASP 25 N -5.19 -1.05 0.53 0.00 2.15 -1.26 -5.03 116.67 106.82 3ce6 s ASP 25 Ca -0.15 0.72 0.18 0.00 0.43 0.00 0.00 52.55 53.73 3ce6 s ASP 25 Cb 0.04 1.90 1.33 0.00 -0.30 0.00 0.00 42.92 45.89 3ce6 s ASP 25 CO 0.63 -0.20 2.16 -0.07 -0.17 0.00 0.00 175.17 177.53 3ce6 h LEU 26 N 7.98 0.00 -0.08 -1.34 3.38 -1.94 -1.88 115.31 121.44 3ce6 h LEU 26 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3ce6 h LEU 26 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3ce6 h LEU 26 CO 0.13 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.12 3ce6 n SER 27 N -4.45 0.05 -0.01 -0.43 3.41 -1.26 -1.46 113.62 109.46 3ce6 n SER 27 Ca -0.03 0.52 0.16 0.00 -0.26 0.00 0.00 58.87 59.25 3ce6 n SER 27 Cb 0.09 -0.52 0.87 0.00 -0.26 0.00 0.00 64.21 64.38 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 -1.56 0.05 -0.29 1.04 4.77 -0.71 -4.23 117.00 116.08 3ce6 n LEU 28 Ca 0.02 0.08 -0.05 0.00 -0.03 0.00 0.00 56.01 56.03 3ce6 n LEU 28 Cb 0.10 -0.10 0.07 0.00 -2.33 0.00 0.00 43.42 41.15 3ce6 n LEU 28 CO 0.08 0.01 1.09 0.00 -1.33 0.00 0.00 177.39 177.24 3ce6 h ALA 29 N 3.81 1.03 -0.09 -1.18 0.00 -1.47 -0.40 119.26 120.96 3ce6 h ALA 29 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.79 3ce6 h ALA 29 Cb 0.12 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3ce6 h ALA 29 CO 0.00 0.60 -0.20 0.22 0.00 0.00 0.00 179.25 179.87 3ce6 h ASP 30 N 1.13 -0.61 -0.19 0.00 3.58 -1.83 0.20 116.42 118.71 3ce6 h ASP 30 Ca 0.27 0.10 0.02 0.00 0.42 0.00 0.00 57.03 57.84 3ce6 h ASP 30 Cb 0.13 0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 3ce6 h ASP 30 CO -0.03 -0.25 0.06 0.15 -2.88 0.00 0.00 179.24 176.28 3ce6 h PHE 31 N -0.27 0.10 -0.82 0.28 3.57 -1.79 -2.08 116.94 115.92 3ce6 h PHE 31 Ca 0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3ce6 h PHE 31 Cb 0.40 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.08 3ce6 h PHE 31 CO -0.29 0.05 0.51 0.78 -2.23 0.00 0.00 178.31 177.13 3ce6 h GLY 32 N 0.14 1.17 1.48 2.40 0.00 -0.61 -2.23 103.07 105.43 3ce6 h GLY 32 Ca 0.08 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.86 3ce6 h GLY 32 CO -0.09 0.45 -0.12 -0.09 0.00 0.00 0.00 176.54 176.69 3ce6 h ARG 33 N 1.12 0.62 -0.49 4.80 9.65 -0.42 0.15 114.38 129.80 3ce6 h ARG 33 Ca 0.30 -0.19 -0.04 0.00 -1.10 0.00 0.00 59.98 58.94 3ce6 h ARG 33 Cb -0.08 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.42 3ce6 h ARG 33 CO -0.06 0.73 0.15 0.87 2.80 0.00 0.00 179.97 184.46 3ce6 h LYS 34 N 0.56 0.77 -0.32 0.20 1.57 -0.82 0.08 116.57 118.62 3ce6 h LYS 34 Ca 0.10 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 3ce6 h LYS 34 Cb 0.55 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3ce6 h LYS 34 CO 0.03 0.73 -0.18 0.93 -0.57 0.00 0.00 179.45 180.39 3ce6 h GLU 35 N 0.67 0.59 -0.51 3.15 5.08 -0.92 -2.26 114.58 120.39 3ce6 h GLU 35 Ca 0.16 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3ce6 h GLU 35 Cb 0.28 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3ce6 h GLU 35 CO -0.00 0.74 0.32 -0.07 -1.00 0.00 0.00 179.01 179.00 3ce6 h LEU 36 N 0.53 0.60 -0.97 1.33 4.07 -0.34 0.11 115.31 120.64 3ce6 h LEU 36 Ca 0.09 -0.04 -0.04 0.00 0.08 0.00 0.00 57.88 57.96 3ce6 h LEU 36 Cb 0.61 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.17 3ce6 h LEU 36 CO 0.04 0.46 0.23 0.03 -1.08 0.00 0.00 178.44 178.13 3ce6 h ARG 37 N 0.68 0.98 -0.43 1.13 3.08 -0.71 0.80 114.38 119.91 3ce6 h ARG 37 Ca 0.18 -0.18 -0.15 0.00 0.07 0.00 0.00 59.98 59.91 3ce6 h ARG 37 Cb -0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 3ce6 h ARG 37 CO -0.04 0.82 -0.30 0.82 -1.07 0.00 0.00 179.97 180.20 3ce6 h ILE 38 N 0.95 1.27 -0.94 2.04 2.04 -1.27 -2.96 117.51 118.64 3ce6 h ILE 38 Ca 0.22 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.62 3ce6 h ILE 38 Cb 0.23 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 3ce6 h ILE 38 CO -0.01 0.50 0.62 0.00 0.00 0.00 0.00 178.15 179.26 3ce6 h ALA 39 N 0.84 1.34 -0.69 1.87 0.00 -0.15 -2.39 119.26 120.07 3ce6 h ALA 39 Ca 0.09 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3ce6 h ALA 39 Cb 0.89 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3ce6 h ALA 39 CO 0.08 0.61 0.46 0.93 0.00 0.00 0.00 179.25 181.32 3ce6 h GLU 40 N 1.26 0.78 0.00 0.00 5.08 -0.69 0.12 114.58 121.14 3ce6 h GLU 40 Ca 0.35 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 3ce6 h GLU 40 Cb -0.12 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 3ce6 h GLU 40 CO -0.08 0.52 -0.26 0.45 -1.00 0.00 0.00 179.01 178.64 3ce6 h HIS 41 N 0.81 0.00 -0.11 4.33 3.86 -1.40 -2.20 115.15 120.43 3ce6 h HIS 41 Ca 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 3ce6 h HIS 41 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3ce6 h HIS 41 CO -0.00 0.26 0.00 0.39 0.86 0.00 0.00 177.93 179.44 3ce6 n GLU 42 N -3.63 1.87 -3.19 2.45 -0.58 0.25 -4.58 120.64 113.22 3ce6 n GLU 42 Ca -0.01 -1.29 -0.25 0.00 -0.42 0.00 0.00 57.16 55.19 3ce6 n GLU 42 Cb 0.39 -1.45 -0.06 0.00 -0.57 0.00 0.00 31.44 29.75 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 0.53 2.15 0.29 3.49 2.81 -0.22 -2.96 117.12 123.22 3ce6 n MET 43 Ca 0.17 -4.25 0.17 0.00 -1.81 0.00 0.00 57.70 51.99 3ce6 n MET 43 Cb 0.41 -1.97 0.87 0.00 -0.71 0.00 0.00 33.22 31.83 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 3.59 0.00 0.03 0.03 0.13 -1.81 -2.11 132.00 131.86 3ce6 h PRO 44 Ca 0.14 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3ce6 h PRO 44 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3ce6 h PRO 44 CO 0.71 0.04 -0.02 0.78 -0.23 0.00 0.00 178.00 179.29 3ce6 h GLY 45 N 0.94 -0.05 0.92 1.56 0.00 -1.91 -0.03 103.07 104.50 3ce6 h GLY 45 Ca -0.00 0.02 -0.06 0.00 0.00 0.00 0.00 47.33 47.28 3ce6 h GLY 45 CO 0.01 -0.02 -0.03 1.41 0.00 0.00 0.00 176.54 177.91 3ce6 h LEU 46 N -0.16 0.62 -0.82 3.11 3.38 -1.65 -2.63 115.31 117.16 3ce6 h LEU 46 Ca -0.00 -0.33 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 3ce6 h LEU 46 Cb 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3ce6 h LEU 46 CO 0.01 0.81 -0.36 0.24 0.09 0.00 0.00 178.44 179.23 3ce6 h MET 47 N 0.43 0.46 -0.49 1.13 2.86 -1.38 -0.83 114.93 117.11 3ce6 h MET 47 Ca 0.09 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.44 3ce6 h MET 47 Cb 0.50 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 3ce6 h MET 47 CO 0.02 0.76 -0.05 1.03 1.06 0.00 0.00 176.91 179.73 3ce6 h SER 48 N 0.39 0.83 0.02 1.22 0.87 -1.02 -2.03 113.55 113.83 3ce6 h SER 48 Ca 0.04 -0.23 -0.16 0.00 -1.23 0.00 0.00 61.79 60.21 3ce6 h SER 48 Cb 0.81 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 3ce6 h SER 48 CO 0.07 0.92 -0.54 -0.07 -0.53 0.00 0.00 176.83 176.68 3ce6 h LEU 49 N 0.78 0.62 -0.62 2.23 3.38 -1.01 0.20 115.31 120.88 3ce6 h LEU 49 Ca 0.14 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3ce6 h LEU 49 Cb 0.53 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3ce6 h LEU 49 CO 0.03 1.04 0.41 0.03 0.09 0.00 0.00 178.44 180.04 3ce6 h ARG 50 N 0.43 0.82 -0.25 1.13 3.08 -0.78 -1.43 114.38 117.39 3ce6 h ARG 50 Ca 0.01 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 3ce6 h ARG 50 Cb 1.08 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.95 3ce6 h ARG 50 CO 0.10 0.55 -0.32 0.00 -1.07 0.00 0.00 179.97 179.24 3ce6 h ARG 51 N 0.84 0.65 -0.64 0.04 3.08 -1.03 -1.01 114.38 116.31 3ce6 h ARG 51 Ca 0.23 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 3ce6 h ARG 51 Cb -0.08 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.96 3ce6 h ARG 51 CO -0.05 0.98 0.22 1.49 -1.07 0.00 0.00 179.97 181.54 3ce6 h GLU 52 N 0.36 0.99 -0.36 0.04 4.81 -0.74 -3.19 114.58 116.50 3ce6 h GLU 52 Ca 0.03 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3ce6 h GLU 52 Cb 0.89 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.12 3ce6 h GLU 52 CO 0.07 0.85 0.00 0.66 -0.73 0.00 0.00 179.01 179.87 3ce6 n TYR 53 N -4.38 0.46 -0.25 0.92 4.01 -0.56 -4.61 117.16 112.76 3ce6 n TYR 53 Ca 0.04 -0.32 0.03 0.00 -0.16 0.00 0.00 57.90 57.49 3ce6 n TYR 53 Cb 0.20 -0.01 0.15 0.00 -0.31 0.00 0.00 39.34 39.38 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 3.30 1.00 0.11 -0.72 0.00 -1.17 -0.98 119.26 120.79 3ce6 h ALA 54 Ca 0.00 0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.69 3ce6 h ALA 54 Cb 0.82 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.65 3ce6 h ALA 54 CO 0.00 -0.13 -1.23 1.49 0.00 0.00 0.00 179.25 179.39 3ce6 h GLU 55 N 0.52 0.64 -0.33 0.00 4.81 -1.82 -3.32 114.58 115.08 3ce6 h GLU 55 Ca 0.37 -0.83 -0.15 0.00 -0.13 0.00 0.00 59.36 58.62 3ce6 h GLU 55 Cb 0.47 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 3ce6 h GLU 55 CO -0.33 1.38 -0.41 0.28 -0.73 0.00 0.00 179.01 179.21 3ce6 h VAL 56 N 0.30 1.28 -5.63 0.32 2.07 -1.82 -3.48 116.25 109.29 3ce6 h VAL 56 Ca -0.18 -1.58 -0.30 0.00 0.82 0.00 0.00 66.70 65.45 3ce6 h VAL 56 Cb 1.89 1.46 0.17 0.00 -1.52 0.00 0.00 31.29 33.30 3ce6 h VAL 56 CO 0.24 0.52 -0.84 0.00 0.02 0.00 0.00 177.57 177.50 3ce6 n GLN 57 N -4.04 -3.64 0.24 1.57 1.13 -0.39 -4.88 117.38 107.38 3ce6 n GLN 57 Ca -0.02 0.80 0.10 0.00 -1.94 0.00 0.00 57.00 55.94 3ce6 n GLN 57 Cb 0.54 -5.63 0.62 0.00 0.11 0.00 0.00 30.24 25.88 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 -1.46 0.00 -0.65 -1.09 0.13 -1.71 -2.30 132.00 124.92 3ce6 h PRO 58 Ca -0.61 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 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 0.47 0.17 0.00 1.28 -0.23 0.00 0.00 178.00 179.69 3ce6 n LEU 59 N -3.78 4.58 -4.69 1.56 4.77 -0.04 -4.73 117.00 114.67 3ce6 n LEU 59 Ca -0.02 -2.31 -0.44 0.00 -0.03 0.00 0.00 56.01 53.21 3ce6 n LEU 59 Cb 0.28 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 3ce6 n LEU 59 CO 0.32 0.76 1.20 1.17 -1.33 0.00 0.00 177.39 179.52 3ce6 n LYS 60 N 1.05 2.36 0.00 3.23 3.00 -0.87 -0.98 118.16 125.95 3ce6 n LYS 60 Ca 0.25 0.85 0.00 0.00 -0.00 0.00 0.00 58.31 59.40 3ce6 n LYS 60 Cb 0.87 -2.61 0.00 0.00 0.00 0.00 0.00 35.03 33.29 3ce6 n LYS 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3ce6 n GLY 61 N 3.03 3.43 3.76 3.14 0.00 -1.26 -4.97 105.19 112.32 3ce6 n GLY 61 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.88 3.47 -0.49 4.61 0.00 -0.16 -4.97 121.76 121.34 3ce6 s ALA 62 Ca 0.00 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.10 3ce6 s ALA 62 Cb 0.00 -3.42 0.14 0.00 0.00 0.00 0.00 23.12 19.83 3ce6 s ALA 62 CO 0.00 -0.45 0.26 1.03 0.00 0.00 0.00 175.76 176.60 3ce6 s ARG 63 N -1.53 1.64 -0.27 0.00 0.52 -1.26 -1.32 118.95 116.74 3ce6 s ARG 63 Ca 0.48 -2.34 -0.15 0.00 -0.52 0.00 0.00 55.73 53.20 3ce6 s ARG 63 Cb -0.37 -2.81 -0.04 0.00 0.52 0.00 0.00 34.95 32.26 3ce6 s ARG 63 CO 0.47 -1.15 0.36 0.42 0.02 0.00 0.00 175.30 175.43 3ce6 s ILE 64 N -0.02 5.19 -0.30 1.52 1.01 -0.40 -1.54 121.20 126.65 3ce6 s ILE 64 Ca 0.18 0.55 -0.20 0.00 0.00 0.00 0.00 60.65 61.19 3ce6 s ILE 64 Cb -0.24 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 3ce6 s ILE 64 CO -0.01 0.17 0.59 -0.44 0.00 0.00 0.00 174.94 175.26 3ce6 s SER 65 N 1.60 6.47 -0.15 3.58 0.01 -0.69 -1.91 113.70 122.61 3ce6 s SER 65 Ca 0.15 0.40 -0.03 0.00 1.31 0.00 0.00 55.95 57.78 3ce6 s SER 65 Cb -0.16 -2.31 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 3ce6 s SER 65 CO 0.10 -0.44 -0.05 -0.83 0.41 0.00 0.00 173.24 172.43 3ce6 s GLY 66 N 1.63 1.70 -0.33 3.44 0.00 0.04 -1.20 107.32 112.61 3ce6 s GLY 66 Ca 0.24 -0.83 0.02 0.00 0.00 0.00 0.00 44.72 44.15 3ce6 s GLY 66 CO 0.11 -0.12 0.07 -0.45 0.00 0.00 0.00 173.10 172.71 3ce6 s SER 67 N 0.27 4.49 -0.29 1.64 0.15 -0.15 -1.06 113.70 118.75 3ce6 s SER 67 Ca -0.04 -1.96 -0.16 0.00 0.70 0.00 0.00 55.95 54.50 3ce6 s SER 67 Cb -0.14 -1.34 0.12 0.00 -1.71 0.00 0.00 66.02 62.95 3ce6 s SER 67 CO 0.03 -0.39 0.88 -0.22 1.20 0.00 0.00 173.24 174.74 3ce6 s LEU 68 N 1.17 -0.67 -0.03 3.45 2.96 -0.55 -1.41 118.68 123.61 3ce6 s LEU 68 Ca 0.10 1.06 -0.02 0.00 -0.22 0.00 0.00 54.13 55.04 3ce6 s LEU 68 Cb -0.18 1.96 -0.01 0.00 0.50 0.00 0.00 46.19 48.45 3ce6 s LEU 68 CO -0.14 -0.17 0.09 1.41 -1.32 0.00 0.00 176.35 176.22 3ce6 n HIS 69 N 4.00 0.09 -2.45 5.38 8.25 -1.26 -4.20 115.22 125.03 3ce6 n HIS 69 Ca -0.18 0.06 -0.43 0.00 -0.26 0.00 0.00 57.72 56.90 3ce6 n HIS 69 Cb 0.58 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.57 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 0.23 3.32 -3.46 -0.41 1.56 -1.26 -4.56 117.12 112.54 3ce6 n MET 70 Ca 0.02 -3.40 -0.23 0.00 -0.27 0.00 0.00 57.70 53.82 3ce6 n MET 70 Cb -0.00 -3.14 0.02 0.00 2.15 0.00 0.00 33.22 32.25 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 2.01 1.98 0.30 1.12 -4.23 -1.26 -0.33 115.64 115.23 3ce6 s THR 71 Ca 0.45 -1.25 -0.01 0.00 -1.18 0.00 0.00 61.69 59.70 3ce6 s THR 71 Cb 0.06 -2.23 0.27 0.00 1.34 0.00 0.00 72.50 71.94 3ce6 s THR 71 CO 0.00 0.00 1.95 0.58 -0.54 0.00 0.00 174.62 176.61 3ce6 h VAL 72 N 0.51 1.16 -0.31 2.29 2.07 -1.91 0.33 116.25 120.39 3ce6 h VAL 72 Ca -0.34 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 3ce6 h VAL 72 Cb 1.29 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3ce6 h VAL 72 CO 0.49 0.19 -0.03 1.56 0.02 0.00 0.00 177.57 179.81 3ce6 h GLN 73 N 1.07 0.57 -0.57 1.57 7.50 -1.93 -2.43 115.11 120.88 3ce6 h GLN 73 Ca 0.32 -0.20 0.01 0.00 0.50 0.00 0.00 58.65 59.29 3ce6 h GLN 73 Cb -0.02 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.44 3ce6 h GLN 73 CO -0.09 0.73 0.36 1.15 -1.50 0.00 0.00 178.83 179.48 3ce6 h THR 74 N 0.35 1.11 -0.66 -0.54 2.02 -1.68 -2.43 112.91 111.09 3ce6 h THR 74 Ca 0.08 -0.25 0.14 0.00 0.77 0.00 0.00 66.41 67.15 3ce6 h THR 74 Cb 0.50 0.32 -0.11 0.00 -1.74 0.00 0.00 68.15 67.11 3ce6 h THR 74 CO 0.02 0.13 0.01 0.00 0.37 0.00 0.00 175.52 176.06 3ce6 h ALA 75 N 1.22 0.67 -0.68 6.16 0.00 -0.60 0.43 119.26 126.46 3ce6 h ALA 75 Ca 0.22 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.28 3ce6 h ALA 75 Cb -0.04 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3ce6 h ALA 75 CO -0.07 -0.39 0.24 0.28 0.00 0.00 0.00 179.25 179.31 3ce6 h VAL 76 N 0.13 1.24 0.28 0.00 2.07 -1.13 -1.48 116.25 117.37 3ce6 h VAL 76 Ca 0.35 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 3ce6 h VAL 76 Cb 0.58 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3ce6 h VAL 76 CO -0.56 0.32 -0.13 0.25 0.02 0.00 0.00 177.57 177.47 3ce6 h LEU 77 N 1.00 -0.32 -0.65 2.57 5.85 -0.84 -1.35 115.31 121.57 3ce6 h LEU 77 Ca 0.23 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.01 3ce6 h LEU 77 Cb 0.24 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 3ce6 h LEU 77 CO -0.01 -0.17 0.24 0.40 -0.34 0.00 0.00 178.44 178.56 3ce6 h ILE 78 N -0.45 0.73 0.00 4.05 2.04 0.17 -0.60 117.51 123.46 3ce6 h ILE 78 Ca -0.04 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.68 3ce6 h ILE 78 Cb 0.34 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3ce6 h ILE 78 CO 0.06 0.08 0.00 -0.62 0.00 0.00 0.00 178.15 177.67 3ce6 n GLU 79 N -5.00 0.17 0.10 2.37 1.02 -0.59 -1.15 120.64 117.56 3ce6 n GLU 79 Ca 0.10 0.30 -0.23 0.00 -0.02 0.00 0.00 57.16 57.32 3ce6 n GLU 79 Cb 0.31 -1.78 -0.15 0.00 -0.02 0.00 0.00 31.44 29.80 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 1.32 -0.10 2.62 2.02 0.02 -2.17 112.91 116.62 3ce6 h THR 80 Ca 0.00 -2.61 0.01 0.00 0.77 0.00 0.00 66.41 64.59 3ce6 h THR 80 Cb 0.47 3.06 -0.01 0.00 -1.74 0.00 0.00 68.15 69.93 3ce6 h THR 80 CO 0.00 0.77 0.01 -0.07 0.37 0.00 0.00 175.52 176.60 3ce6 h LEU 81 N -0.07 -0.02 -0.67 2.58 3.38 -0.53 -0.83 115.31 119.15 3ce6 h LEU 81 Ca -0.23 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 3ce6 h LEU 81 Cb 1.96 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 3ce6 h LEU 81 CO 0.21 0.01 -0.34 0.71 0.09 0.00 0.00 178.44 179.12 3ce6 h THR 82 N 0.05 1.29 -0.72 0.22 1.35 -1.24 -1.59 112.91 112.26 3ce6 h THR 82 Ca 0.05 -1.48 0.15 0.00 -0.55 0.00 0.00 66.41 64.57 3ce6 h THR 82 Cb 0.05 1.43 -0.05 0.00 -1.73 0.00 0.00 68.15 67.85 3ce6 h THR 82 CO -0.07 0.48 0.49 0.00 -0.25 0.00 0.00 175.52 176.16 3ce6 h ALA 83 N 1.08 2.16 -0.01 6.62 0.00 -0.98 -0.66 119.26 127.47 3ce6 h ALA 83 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3ce6 h ALA 83 Cb 0.85 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3ce6 h ALA 83 CO 0.07 -0.35 -0.01 1.28 0.00 0.00 0.00 179.25 180.24 3ce6 n LEU 84 N -4.46 0.63 0.00 0.00 4.77 -0.35 -4.84 117.00 112.75 3ce6 n LEU 84 Ca 0.14 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3ce6 n LEU 84 Cb 0.53 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3ce6 n LEU 84 CO 0.33 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3ce6 n GLY 85 N 1.10 0.66 3.80 -0.72 0.00 -0.25 -0.86 105.19 108.91 3ce6 n GLY 85 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 2.72 0.10 4.61 0.00 -0.64 -3.79 121.76 122.77 3ce6 s ALA 86 Ca 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 51.96 52.41 3ce6 s ALA 86 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 3ce6 s ALA 86 CO 0.00 -0.80 0.27 -1.21 0.00 0.00 0.00 175.76 174.03 3ce6 s GLU 87 N -3.92 3.49 0.07 0.00 2.02 -0.43 -4.23 118.70 115.70 3ce6 s GLU 87 Ca 0.65 -0.35 -0.00 0.00 0.02 0.00 0.00 54.97 55.29 3ce6 s GLU 87 Cb -0.17 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 3ce6 s GLU 87 CO 0.35 0.55 -0.03 0.14 0.02 0.00 0.00 175.26 176.28 3ce6 s VAL 88 N -1.60 0.34 -0.03 2.63 -7.23 -1.26 -1.28 120.40 111.98 3ce6 s VAL 88 Ca 0.37 -1.86 -0.02 0.00 -1.81 0.00 0.00 61.98 58.66 3ce6 s VAL 88 Cb -0.12 -1.63 0.01 0.00 0.56 0.00 0.00 36.38 35.20 3ce6 s VAL 88 CO 0.27 -0.90 0.07 -0.13 -0.31 0.00 0.00 175.10 174.10 3ce6 s ARG 89 N -3.91 0.07 0.05 4.82 0.52 -0.80 -4.15 118.95 115.55 3ce6 s ARG 89 Ca 0.10 0.12 0.04 0.00 -0.52 0.00 0.00 55.73 55.47 3ce6 s ARG 89 Cb 0.07 0.00 -0.02 0.00 0.52 0.00 0.00 34.95 35.52 3ce6 s ARG 89 CO -0.07 -0.03 -0.11 -0.46 0.02 0.00 0.00 175.30 174.65 3ce6 s TRP 90 N 0.20 0.94 0.06 -0.53 -0.11 -0.48 -0.78 118.94 118.25 3ce6 s TRP 90 Ca -0.01 -0.45 -0.06 0.00 1.22 0.00 0.00 56.10 56.80 3ce6 s TRP 90 Cb -0.02 -0.55 -0.01 0.00 -1.50 0.00 0.00 33.47 31.39 3ce6 s TRP 90 CO -0.01 -0.01 0.11 0.00 -4.62 0.00 0.00 176.95 172.43 3ce6 s ALA 91 N -1.22 -0.02 0.71 5.86 0.00 -0.23 -0.81 121.76 126.05 3ce6 s ALA 91 Ca -0.05 -0.72 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 3ce6 s ALA 91 Cb -0.09 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.41 3ce6 s ALA 91 CO 0.01 -0.42 1.08 0.45 0.00 0.00 0.00 175.76 176.88 3ce6 s SER 92 N -2.64 5.08 -0.18 0.00 0.15 -1.25 -1.49 113.70 113.36 3ce6 s SER 92 Ca 0.02 1.76 0.16 0.00 0.70 0.00 0.00 55.95 58.59 3ce6 s SER 92 Cb 0.04 -2.52 0.67 0.00 -1.71 0.00 0.00 66.02 62.51 3ce6 s SER 92 CO -0.09 -1.65 1.59 0.00 1.20 0.00 0.00 173.24 174.29 3ce6 s ASN 94 N -1.24 -0.26 0.31 0.00 3.84 -1.26 -4.91 114.94 111.42 3ce6 s ASN 94 Ca 0.48 0.03 0.26 0.00 0.21 0.00 0.00 52.86 53.84 3ce6 s ASN 94 Cb 0.36 0.40 0.98 0.00 -0.55 0.00 0.00 41.25 42.43 3ce6 s ASN 94 CO 0.15 -0.61 1.77 0.16 -2.79 0.00 0.00 177.10 175.78 3ce6 h ILE 95 N 3.22 0.00 -0.01 -5.21 3.07 -1.91 -3.20 117.51 113.46 3ce6 h ILE 95 Ca -0.31 -0.38 0.00 0.00 1.55 0.00 0.00 64.86 65.72 3ce6 h ILE 95 Cb 1.19 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 3ce6 h ILE 95 CO 0.43 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.02 3ce6 n PHE 96 N -2.45 0.01 0.62 0.16 3.72 -1.26 -0.12 117.46 118.14 3ce6 n PHE 96 Ca 0.03 -0.09 0.12 0.00 -0.05 0.00 0.00 57.45 57.45 3ce6 n PHE 96 Cb 0.30 -0.01 0.10 0.00 -0.94 0.00 0.00 39.48 38.93 3ce6 n PHE 96 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3ce6 n SER 97 N -0.04 0.64 -4.77 4.37 3.41 -1.21 -4.35 113.62 111.66 3ce6 n SER 97 Ca 0.01 -0.11 -0.41 0.00 -0.26 0.00 0.00 58.87 58.09 3ce6 n SER 97 Cb 0.06 0.52 -0.01 0.00 -0.26 0.00 0.00 64.21 64.53 3ce6 n SER 97 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3ce6 s THR 98 N -3.16 2.06 -0.41 6.66 2.01 -1.26 -4.37 115.64 117.16 3ce6 s THR 98 Ca 0.05 0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.01 3ce6 s THR 98 Cb 0.14 -3.03 0.06 0.00 0.01 0.00 0.00 72.50 69.68 3ce6 s THR 98 CO 0.76 0.01 0.24 -1.10 -0.69 0.00 0.00 174.62 173.85 3ce6 s GLN 99 N -1.60 2.67 0.33 4.92 -0.21 0.55 -4.20 119.66 122.11 3ce6 s GLN 99 Ca 0.56 -1.35 0.08 0.00 0.02 0.00 0.00 55.36 54.67 3ce6 s GLN 99 Cb -0.47 -3.76 0.80 0.00 1.00 0.00 0.00 33.01 30.58 3ce6 s GLN 99 CO 0.58 -0.88 1.81 -0.44 -2.12 0.00 0.00 175.29 174.24 3ce6 h ASP 100 N 8.41 0.72 -0.17 5.90 3.32 -1.94 -1.26 116.42 131.39 3ce6 h ASP 100 Ca -0.24 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 56.77 3ce6 h ASP 100 Cb 1.09 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.57 3ce6 h ASP 100 CO 0.73 0.29 -0.30 1.12 -1.72 0.00 0.00 179.24 179.36 3ce6 h HIS 101 N 0.72 0.77 -0.46 4.55 2.07 -1.91 -1.25 115.15 119.63 3ce6 h HIS 101 Ca 0.53 -0.19 -0.05 0.00 -2.85 0.00 0.00 60.37 57.81 3ce6 h HIS 101 Cb 0.89 -0.18 -0.02 0.00 2.57 0.00 0.00 27.41 30.68 3ce6 h HIS 101 CO -0.00 0.89 0.10 0.00 -3.07 0.00 0.00 177.93 175.84 3ce6 h ALA 102 N 1.10 0.61 -0.40 6.11 0.00 -1.59 -1.56 119.26 123.54 3ce6 h ALA 102 Ca 0.07 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3ce6 h ALA 102 Cb 0.80 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3ce6 h ALA 102 CO 0.07 0.31 0.21 0.00 0.00 0.00 0.00 179.25 179.84 3ce6 h ALA 103 N 0.97 0.50 -0.60 0.00 0.00 -1.07 -1.27 119.26 117.79 3ce6 h ALA 103 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3ce6 h ALA 103 Cb 0.35 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3ce6 h ALA 103 CO 0.00 -0.13 0.37 0.00 0.00 0.00 0.00 179.25 179.49 3ce6 h ALA 104 N 1.20 0.77 -0.25 0.00 0.00 -1.19 -2.27 119.26 117.51 3ce6 h ALA 104 Ca 0.16 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3ce6 h ALA 104 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3ce6 h ALA 104 CO -0.10 0.11 -0.24 0.00 0.00 0.00 0.00 179.25 179.03 3ce6 h ALA 105 N 1.25 1.13 -0.46 0.00 0.00 -0.86 -1.57 119.26 118.75 3ce6 h ALA 105 Ca 0.24 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 3ce6 h ALA 105 Cb 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3ce6 h ALA 105 CO -0.09 0.55 -0.11 0.28 0.00 0.00 0.00 179.25 179.87 3ce6 h VAL 106 N 0.42 1.26 -0.23 0.00 2.07 -0.92 0.91 116.25 119.76 3ce6 h VAL 106 Ca 0.06 -1.20 -0.14 0.00 0.82 0.00 0.00 66.70 66.25 3ce6 h VAL 106 Cb 0.64 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3ce6 h VAL 106 CO 0.05 0.41 -0.39 0.58 0.02 0.00 0.00 177.57 178.23 3ce6 h VAL 107 N 0.75 1.31 -0.04 2.57 2.07 -1.20 -0.97 116.25 120.75 3ce6 h VAL 107 Ca 0.12 -1.60 -0.18 0.00 0.82 0.00 0.00 66.70 65.86 3ce6 h VAL 107 Cb 0.61 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 3ce6 h VAL 107 CO 0.04 0.50 -0.77 0.58 0.02 0.00 0.00 177.57 177.95 3ce6 h VAL 108 N 0.38 1.42 0.00 2.57 2.07 -1.23 0.33 116.25 121.78 3ce6 h VAL 108 Ca 0.02 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.25 3ce6 h VAL 108 Cb 0.99 2.23 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 3ce6 h VAL 108 CO 0.09 0.68 0.00 0.61 0.02 0.00 0.00 177.57 178.96 3ce6 n GLY 109 N 0.62 -1.58 0.29 2.17 0.00 0.31 -0.77 105.19 106.22 3ce6 n GLY 109 Ca -0.04 -1.56 0.17 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.17 132.00 128.72 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 0.05 0.00 0.72 -0.23 0.00 0.00 178.00 178.54 3ce6 n HIS 111 N -3.29 0.00 -2.49 1.56 8.25 -1.26 -5.04 115.22 112.94 3ce6 n HIS 111 Ca -0.01 -0.22 -0.16 0.00 -0.26 0.00 0.00 57.72 57.07 3ce6 n HIS 111 Cb 0.22 -0.02 0.08 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.22 0.69 3.27 -1.41 0.00 -1.08 -4.95 105.19 101.49 3ce6 n GLY 112 Ca 0.00 -2.01 -0.15 0.00 0.00 0.00 0.00 46.02 43.87 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 -2.00 0.75 0.38 2.61 -4.23 -0.67 -4.88 115.64 107.59 3ce6 s THR 113 Ca 0.45 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.05 3ce6 s THR 113 Cb -0.03 -2.22 0.31 0.00 1.34 0.00 0.00 72.50 71.90 3ce6 s THR 113 CO 0.30 -0.39 1.95 -0.65 -0.54 0.00 0.00 174.62 175.29 3ce6 h PRO 114 N 2.61 0.61 -0.18 3.99 0.11 -1.93 -0.04 132.00 137.17 3ce6 h PRO 114 Ca -0.37 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.56 3ce6 h PRO 114 Cb 1.21 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3ce6 h PRO 114 CO 0.63 0.41 -0.48 -0.44 -0.21 0.00 0.00 178.00 177.91 3ce6 h ASP 115 N 0.63 0.50 -2.24 -2.05 5.19 -1.96 -3.38 116.42 113.11 3ce6 h ASP 115 Ca 0.32 -0.24 -0.58 0.00 -0.62 0.00 0.00 57.03 55.90 3ce6 h ASP 115 Cb 0.43 -0.14 -0.40 0.00 0.18 0.00 0.00 39.33 39.39 3ce6 h ASP 115 CO -0.11 0.91 -0.88 1.21 -3.12 0.00 0.00 179.24 177.24 3ce6 n GLU 116 N -3.98 1.26 -2.03 3.56 2.13 -0.76 -4.78 120.64 116.03 3ce6 n GLU 116 Ca -0.02 -3.76 -0.34 0.00 0.66 0.00 0.00 57.16 53.69 3ce6 n GLU 116 Cb 0.55 -1.71 0.02 0.00 0.27 0.00 0.00 31.44 30.58 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 -1.36 3.10 0.00 5.31 0.04 -0.10 -1.67 135.00 140.32 3ce6 s PRO 117 Ca 0.35 1.51 0.20 0.00 0.04 0.00 0.00 61.00 63.11 3ce6 s PRO 117 Cb 0.12 -1.98 0.34 0.00 0.04 0.00 0.00 34.50 33.01 3ce6 s PRO 117 CO -0.11 -1.03 1.13 1.63 0.04 0.00 0.00 177.00 178.66 3ce6 n LYS 118 N -1.81 0.00 0.00 4.56 5.02 0.05 -4.75 118.16 121.23 3ce6 n LYS 118 Ca 0.11 -1.78 0.00 0.00 -2.02 0.00 0.00 58.31 54.62 3ce6 n LYS 118 Cb 0.51 0.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.58 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 0.39 1.04 3.12 0.72 0.00 0.12 -4.49 105.19 106.09 3ce6 n GLY 119 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 3.93 0.50 0.09 1.61 -7.23 -0.37 -4.91 120.40 114.01 3ce6 s VAL 120 Ca 0.00 -1.70 -0.31 0.00 -1.81 0.00 0.00 61.98 58.17 3ce6 s VAL 120 Cb 0.00 -1.37 -0.10 0.00 0.56 0.00 0.00 36.38 35.47 3ce6 s VAL 120 CO 0.00 -0.81 1.87 -2.84 -0.31 0.00 0.00 175.10 173.01 3ce6 s PRO 121 N -3.35 4.14 -0.04 4.82 0.02 -1.26 -4.07 135.00 135.26 3ce6 s PRO 121 Ca 0.05 2.59 0.03 0.00 0.02 0.00 0.00 61.00 63.69 3ce6 s PRO 121 Cb 0.03 -3.81 0.00 0.00 0.02 0.00 0.00 34.50 30.74 3ce6 s PRO 121 CO -0.05 -0.88 -0.13 0.08 -0.33 0.00 0.00 177.00 175.69 3ce6 s VAL 122 N 3.38 1.09 -0.44 3.83 1.01 -1.26 -1.38 120.40 126.63 3ce6 s VAL 122 Ca 0.83 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 62.31 3ce6 s VAL 122 Cb -0.44 -0.96 0.13 0.00 0.00 0.00 0.00 36.38 35.11 3ce6 s VAL 122 CO 0.38 0.33 0.23 -0.36 0.00 0.00 0.00 175.10 175.67 3ce6 s PHE 123 N 0.15 2.25 -0.29 5.22 0.08 0.01 -0.44 117.98 124.95 3ce6 s PHE 123 Ca -0.04 -2.55 -0.20 0.00 0.12 0.00 0.00 56.93 54.26 3ce6 s PHE 123 Cb -0.10 -2.09 0.15 0.00 -0.57 0.00 0.00 43.02 40.41 3ce6 s PHE 123 CO 0.01 -0.78 1.09 0.00 -0.10 0.00 0.00 175.22 175.44 3ce6 s ALA 124 N 0.32 -2.20 0.06 5.36 0.00 -0.07 -3.87 121.76 121.35 3ce6 s ALA 124 Ca 0.17 1.99 -0.15 0.00 0.00 0.00 0.00 51.96 53.97 3ce6 s ALA 124 Cb -0.24 -1.66 0.03 0.00 0.00 0.00 0.00 23.12 21.25 3ce6 s ALA 124 CO -0.01 -0.27 0.35 1.67 0.00 0.00 0.00 175.76 177.50 3ce6 s TRP 125 N 0.74 -0.16 0.12 0.00 -2.14 -1.26 -4.24 118.94 112.00 3ce6 s TRP 125 Ca -0.02 0.01 -0.31 0.00 2.66 0.00 0.00 56.10 58.44 3ce6 s TRP 125 Cb -0.04 0.16 -0.07 0.00 -3.10 0.00 0.00 33.47 30.42 3ce6 s TRP 125 CO -0.12 -0.57 1.26 0.21 -2.66 0.00 0.00 176.95 175.08 3ce6 s LYS 126 N -2.84 4.41 0.00 3.25 2.20 -1.26 -3.90 119.74 121.60 3ce6 s LYS 126 Ca -0.03 1.91 0.00 0.00 -0.36 0.00 0.00 55.97 57.49 3ce6 s LYS 126 Cb 0.00 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 3ce6 s LYS 126 CO -0.05 -0.26 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 3ce6 n GLY 127 N 2.92 0.81 3.79 5.54 0.00 0.83 -5.01 105.19 114.06 3ce6 n GLY 127 Ca 0.08 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.43 3.10 0.65 1.61 2.02 -0.64 -5.04 118.70 117.96 3ce6 s GLU 128 Ca 0.00 1.30 -0.04 0.00 0.02 0.00 0.00 54.97 56.24 3ce6 s GLU 128 Cb 0.00 -2.00 0.05 0.00 0.10 0.00 0.00 34.13 32.28 3ce6 s GLU 128 CO 0.00 -1.00 0.93 0.95 0.02 0.00 0.00 175.26 176.16 3ce6 s THR 129 N -2.38 2.60 0.24 3.63 -4.23 -1.26 -4.84 115.64 109.40 3ce6 s THR 129 Ca 0.65 -0.33 -0.06 0.00 -1.18 0.00 0.00 61.69 60.77 3ce6 s THR 129 Cb -0.18 -3.08 0.22 0.00 1.34 0.00 0.00 72.50 70.81 3ce6 s THR 129 CO 0.38 -0.07 1.89 -0.07 -0.54 0.00 0.00 174.62 176.21 3ce6 h LEU 130 N -0.36 0.98 -0.69 4.79 3.38 -1.99 0.12 115.31 121.55 3ce6 h LEU 130 Ca -0.44 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 3ce6 h LEU 130 Cb 1.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3ce6 h LEU 130 CO 0.58 0.67 -0.23 -0.33 0.09 0.00 0.00 178.44 179.23 3ce6 h GLU 131 N 1.14 0.77 -0.41 1.13 3.07 -1.97 -2.28 114.58 116.04 3ce6 h GLU 131 Ca 0.36 -0.31 -0.08 0.00 -0.50 0.00 0.00 59.36 58.82 3ce6 h GLU 131 Cb -0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 3ce6 h GLU 131 CO -0.12 0.93 -0.09 0.93 -1.40 0.00 0.00 179.01 179.26 3ce6 h GLU 132 N 0.67 0.71 -0.39 2.33 5.08 -1.81 -0.84 114.58 120.32 3ce6 h GLU 132 Ca 0.09 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3ce6 h GLU 132 Cb 0.74 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 3ce6 h GLU 132 CO 0.06 0.78 0.14 -0.92 -1.00 0.00 0.00 179.01 178.07 3ce6 h TYR 133 N 0.65 0.61 0.03 4.33 3.20 -0.46 -0.29 116.97 125.04 3ce6 h TYR 133 Ca 0.12 -0.05 -0.23 0.00 3.14 0.00 0.00 58.73 61.71 3ce6 h TYR 133 Cb 0.53 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 3ce6 h TYR 133 CO 0.02 0.56 -0.98 -1.49 -1.64 0.00 0.00 178.16 174.63 3ce6 h TRP 134 N 0.49 0.49 -0.32 -3.82 4.06 -1.33 -1.41 115.95 114.10 3ce6 h TRP 134 Ca 0.13 -0.28 0.06 0.00 2.06 0.00 0.00 58.89 60.86 3ce6 h TRP 134 Cb 0.21 -0.05 -0.06 0.00 -1.00 0.00 0.00 29.16 28.27 3ce6 h TRP 134 CO 0.00 1.12 -0.08 2.35 -3.56 0.00 0.00 178.44 178.28 3ce6 h TRP 135 N 0.16 -0.17 -0.80 0.49 7.01 -1.04 -1.56 115.95 120.05 3ce6 h TRP 135 Ca -0.08 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.93 3ce6 h TRP 135 Cb 1.63 0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 28.78 3ce6 h TRP 135 CO 0.05 -0.14 0.42 0.00 -2.79 0.00 0.00 178.44 175.99 3ce6 h ALA 136 N 1.32 1.03 -0.58 2.65 0.00 -0.88 -0.28 119.26 122.52 3ce6 h ALA 136 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3ce6 h ALA 136 Cb 0.23 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3ce6 h ALA 136 CO -0.33 0.56 0.31 0.00 0.00 0.00 0.00 179.25 179.78 3ce6 h ALA 137 N 1.22 0.74 -0.64 0.00 0.00 -1.02 -0.43 119.26 119.13 3ce6 h ALA 137 Ca 0.28 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 3ce6 h ALA 137 Cb 0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3ce6 h ALA 137 CO -0.04 0.27 0.23 1.49 0.00 0.00 0.00 179.25 181.19 3ce6 h GLU 138 N 0.78 0.96 -0.77 0.00 4.81 -0.81 -0.73 114.58 118.81 3ce6 h GLU 138 Ca 0.20 -0.17 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 3ce6 h GLU 138 Cb 0.06 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 3ce6 h GLU 138 CO -0.03 0.80 0.41 1.96 -0.73 0.00 0.00 179.01 181.43 3ce6 h GLN 139 N 0.93 1.08 -0.02 1.92 1.08 -0.63 -1.75 115.11 117.72 3ce6 h GLN 139 Ca 0.21 -0.13 -0.09 0.00 -1.45 0.00 0.00 58.65 57.20 3ce6 h GLN 139 Cb 0.23 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 3ce6 h GLN 139 CO -0.01 0.80 -0.39 1.98 -0.95 0.00 0.00 178.83 180.26 3ce6 h MET 140 N 1.07 0.04 -0.01 1.46 4.05 -0.20 -2.83 114.93 118.50 3ce6 h MET 140 Ca 0.27 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 3ce6 h MET 140 Cb 0.05 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.84 3ce6 h MET 140 CO -0.04 0.43 -0.19 1.28 0.23 0.00 0.00 176.91 178.61 3ce6 n LEU 141 N -4.07 1.58 -4.17 3.39 4.77 -0.37 -4.68 117.00 113.46 3ce6 n LEU 141 Ca -0.02 -0.51 -0.39 0.00 -0.03 0.00 0.00 56.01 55.06 3ce6 n LEU 141 Cb 0.43 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 3ce6 n LEU 141 CO 0.39 0.28 0.05 -0.89 -1.33 0.00 0.00 177.39 175.89 3ce6 s THR 142 N -2.29 4.09 0.53 -5.08 2.01 -0.70 -4.48 115.64 109.71 3ce6 s THR 142 Ca 0.28 -2.38 -0.20 0.00 0.31 0.00 0.00 61.69 59.70 3ce6 s THR 142 Cb 0.20 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 68.98 3ce6 s THR 142 CO 0.45 -0.84 1.12 0.26 -0.69 0.00 0.00 174.62 174.92 3ce6 s TRP 143 N 0.61 2.74 0.22 4.92 0.52 -1.26 -4.91 118.94 121.78 3ce6 s TRP 143 Ca 0.12 1.55 -0.06 0.00 0.02 0.00 0.00 56.10 57.73 3ce6 s TRP 143 Cb -0.21 -3.26 0.18 0.00 -1.15 0.00 0.00 33.47 29.03 3ce6 s TRP 143 CO -0.03 -1.44 1.72 -1.00 0.02 0.00 0.00 176.95 176.22 3ce6 h PRO 144 N 1.34 1.02 -5.61 4.98 0.13 -1.97 -3.40 132.00 128.49 3ce6 h PRO 144 Ca -0.50 -0.27 -0.62 0.00 -0.87 0.00 0.00 66.00 63.74 3ce6 h PRO 144 Cb 1.25 -0.12 -0.13 0.00 0.13 0.00 0.00 31.00 32.13 3ce6 h PRO 144 CO 0.58 0.95 0.24 0.34 -0.23 0.00 0.00 178.00 179.87 3ce6 s ASP 145 N -6.54 6.47 0.66 1.44 -1.08 -1.26 -4.95 116.67 111.40 3ce6 s ASP 145 Ca -0.11 0.19 0.37 0.00 -0.52 0.00 0.00 52.55 52.47 3ce6 s ASP 145 Cb 0.15 -2.36 2.00 0.00 -1.46 0.00 0.00 42.92 41.25 3ce6 s ASP 145 CO 0.84 -0.67 2.15 1.55 0.52 0.00 0.00 175.17 179.56 3ce6 h PRO 146 N 8.51 0.00 -0.14 4.34 0.13 -2.01 0.28 132.00 143.11 3ce6 h PRO 146 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3ce6 h PRO 146 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3ce6 h PRO 146 CO 0.87 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.39 3ce6 n ASP 147 N -3.10 2.22 -3.23 1.44 8.00 -1.26 -4.38 116.55 116.24 3ce6 n ASP 147 Ca -0.02 -1.76 -0.24 0.00 0.71 0.00 0.00 54.79 53.47 3ce6 n ASP 147 Cb 0.23 -0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 41.18 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 0.70 1.13 -1.38 -1.24 5.02 0.99 -5.11 118.16 118.27 3ce6 n LYS 148 Ca 0.17 -3.54 -0.30 0.00 -2.02 0.00 0.00 58.31 52.62 3ce6 n LYS 148 Cb 0.44 -1.46 0.23 0.00 -0.02 0.00 0.00 35.03 34.22 3ce6 n LYS 148 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3ce6 s PRO 149 N -1.53 -0.68 0.17 1.97 0.05 -1.24 -4.59 135.00 129.15 3ce6 s PRO 149 Ca 0.36 -0.23 -0.31 0.00 0.05 0.00 0.00 61.00 60.87 3ce6 s PRO 149 Cb 0.18 -1.67 -0.17 0.00 0.05 0.00 0.00 34.50 32.88 3ce6 s PRO 149 CO -0.09 -3.32 0.89 0.00 0.05 0.00 0.00 177.00 174.52 3ce6 n ALA 150 N -4.45 -1.93 -0.14 8.56 0.00 -1.26 -4.92 120.51 116.37 3ce6 n ALA 150 Ca 0.14 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.05 3ce6 n ALA 150 Cb 0.60 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 1.79 1.32 -3.83 0.00 0.23 -0.59 -3.45 115.26 110.73 3ce6 n ASN 151 Ca 0.16 -1.46 -0.09 0.00 -0.53 0.00 0.00 54.58 52.65 3ce6 n ASN 151 Cb 0.23 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.87 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 -0.46 1.04 0.02 -3.83 -1.94 -0.98 0.11 119.30 113.26 3ce6 s MET 152 Ca 0.00 -0.96 0.06 0.00 -1.71 0.00 0.00 55.69 53.07 3ce6 s MET 152 Cb 0.00 0.40 -0.02 0.00 2.01 0.00 0.00 34.83 37.22 3ce6 s MET 152 CO 0.00 -0.38 -0.17 0.42 -0.01 0.00 0.00 175.02 174.89 3ce6 s ILE 153 N -3.88 1.31 -0.18 2.53 1.01 -0.79 -1.70 121.20 119.50 3ce6 s ILE 153 Ca 0.09 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.81 3ce6 s ILE 153 Cb 0.03 -1.14 0.04 0.00 0.01 0.00 0.00 42.46 41.40 3ce6 s ILE 153 CO -0.07 0.19 -0.10 -0.22 0.00 0.00 0.00 174.94 174.74 3ce6 s LEU 154 N -0.87 2.05 0.08 2.97 0.20 -0.34 -1.37 118.68 121.40 3ce6 s LEU 154 Ca 0.05 -0.78 0.08 0.00 0.69 0.00 0.00 54.13 54.17 3ce6 s LEU 154 Cb -0.07 -1.16 -0.03 0.00 -0.43 0.00 0.00 46.19 44.49 3ce6 s LEU 154 CO 0.01 -0.14 -0.20 -0.62 -0.29 0.00 0.00 176.35 175.10 3ce6 s ASP 155 N 1.46 2.46 -0.29 3.68 -1.08 0.88 -0.98 116.67 122.81 3ce6 s ASP 155 Ca 0.00 -0.61 -0.02 0.00 -0.52 0.00 0.00 52.55 51.40 3ce6 s ASP 155 Cb -0.15 -0.16 0.09 0.00 -1.46 0.00 0.00 42.92 41.24 3ce6 s ASP 155 CO -0.08 0.09 0.10 -0.62 0.52 0.00 0.00 175.17 175.18 3ce6 s ASP 156 N -1.60 3.70 0.00 -0.34 -1.08 -0.50 -1.28 116.67 115.57 3ce6 s ASP 156 Ca 0.06 -1.40 0.00 0.00 -0.52 0.00 0.00 52.55 50.69 3ce6 s ASP 156 Cb -0.09 -0.66 0.00 0.00 -1.46 0.00 0.00 42.92 40.71 3ce6 s ASP 156 CO 0.03 -0.41 0.00 0.61 0.52 0.00 0.00 175.17 175.92 3ce6 n GLY 157 N 5.01 0.56 2.18 2.66 0.00 -1.26 -4.62 105.19 109.72 3ce6 n GLY 157 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.38 0.77 0.30 -0.02 0.00 -1.26 -4.19 105.19 99.41 3ce6 n GLY 158 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.92 -0.26 1.61 3.32 -1.95 0.14 116.42 120.20 3ce6 h ASP 159 Ca 0.00 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 3ce6 h ASP 159 Cb 0.00 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3ce6 h ASP 159 CO 0.00 0.97 0.11 0.00 -1.72 0.00 0.00 179.24 178.60 3ce6 h ALA 160 N 1.13 0.34 -0.72 3.45 0.00 -1.93 -1.28 119.26 120.25 3ce6 h ALA 160 Ca 0.16 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3ce6 h ALA 160 Cb 0.50 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3ce6 h ALA 160 CO 0.02 -0.07 0.22 1.15 0.00 0.00 0.00 179.25 180.58 3ce6 h THR 161 N 0.27 1.26 -0.48 0.00 2.02 -1.92 -2.05 112.91 112.01 3ce6 h THR 161 Ca 0.09 -0.89 -0.12 0.00 0.77 0.00 0.00 66.41 66.25 3ce6 h THR 161 Cb 0.17 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3ce6 h THR 161 CO -0.01 0.35 -0.19 -0.03 0.37 0.00 0.00 175.52 176.02 3ce6 h MET 162 N 1.06 0.94 -0.15 6.66 -1.53 -0.50 -0.47 114.93 120.95 3ce6 h MET 162 Ca 0.23 -0.38 -0.00 0.00 -3.44 0.00 0.00 59.70 56.11 3ce6 h MET 162 Cb 0.30 -0.04 -0.01 0.00 -0.55 0.00 0.00 31.60 31.30 3ce6 h MET 162 CO -0.01 1.04 0.08 1.25 0.14 0.00 0.00 176.91 179.42 3ce6 h LEU 163 N 0.82 0.19 0.36 3.39 5.85 -0.82 0.20 115.31 125.32 3ce6 h LEU 163 Ca 0.11 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 3ce6 h LEU 163 Cb 0.74 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.73 3ce6 h LEU 163 CO 0.06 0.23 -0.17 0.58 -0.34 0.00 0.00 178.44 178.79 3ce6 h VAL 164 N 0.15 0.65 -0.14 1.05 2.07 -1.29 -0.57 116.25 118.17 3ce6 h VAL 164 Ca 0.05 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3ce6 h VAL 164 Cb 0.08 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3ce6 h VAL 164 CO -0.01 0.04 -0.07 -0.07 0.02 0.00 0.00 177.57 177.48 3ce6 h LEU 165 N -0.59 0.30 -0.84 2.57 3.38 -1.03 -1.08 115.31 118.04 3ce6 h LEU 165 Ca -0.05 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 3ce6 h LEU 165 Cb 0.43 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3ce6 h LEU 165 CO 0.08 0.65 0.42 0.03 0.09 0.00 0.00 178.44 179.72 3ce6 h ARG 166 N -0.05 1.19 -0.70 1.13 2.47 -0.70 -1.14 114.38 116.58 3ce6 h ARG 166 Ca 0.03 -0.17 -0.00 0.00 -1.26 0.00 0.00 59.98 58.58 3ce6 h ARG 166 Cb 0.54 -0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.61 3ce6 h ARG 166 CO 0.02 0.91 0.42 0.78 0.56 0.00 0.00 179.97 182.66 3ce6 h GLY 167 N 1.18 1.02 0.82 0.04 0.00 -0.97 0.08 103.07 105.24 3ce6 h GLY 167 Ca 0.29 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.17 3ce6 h GLY 167 CO -0.04 0.41 0.02 1.98 0.00 0.00 0.00 176.54 178.91 3ce6 h MET 168 N 0.96 0.28 -0.59 4.80 1.85 -1.07 -1.77 114.93 119.39 3ce6 h MET 168 Ca 0.25 -0.08 0.12 0.00 -0.61 0.00 0.00 59.70 59.38 3ce6 h MET 168 Cb -0.03 -0.03 -0.10 0.00 0.43 0.00 0.00 31.60 31.87 3ce6 h MET 168 CO -0.05 0.46 0.01 0.37 -0.40 0.00 0.00 176.91 177.30 3ce6 h GLN 169 N 0.06 0.12 -0.32 0.39 4.15 -0.58 -0.30 115.11 118.63 3ce6 h GLN 169 Ca 0.05 -0.01 -0.15 0.00 0.77 0.00 0.00 58.65 59.32 3ce6 h GLN 169 Cb 0.32 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 3ce6 h GLN 169 CO 0.00 0.08 -0.38 1.88 -1.93 0.00 0.00 178.83 178.48 3ce6 h TYR 170 N 0.12 0.91 -0.59 3.99 0.05 -0.87 -1.80 116.97 118.77 3ce6 h TYR 170 Ca 0.31 -0.26 0.01 0.00 0.05 0.00 0.00 58.73 58.84 3ce6 h TYR 170 Cb 0.49 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.00 3ce6 h TYR 170 CO -0.35 1.02 0.38 0.93 -1.05 0.00 0.00 178.16 179.10 3ce6 h GLU 171 N 0.63 0.75 -0.54 4.88 5.08 -0.94 0.99 114.58 125.42 3ce6 h GLU 171 Ca 0.05 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 3ce6 h GLU 171 Cb 0.93 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.99 3ce6 h GLU 171 CO 0.09 0.50 -0.06 0.87 -1.00 0.00 0.00 179.01 179.40 3ce6 h LYS 172 N 0.77 0.97 0.00 2.33 1.57 -0.90 -1.95 116.57 119.37 3ce6 h LYS 172 Ca 0.23 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3ce6 h LYS 172 Cb -0.05 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3ce6 h LYS 172 CO -0.07 0.99 0.00 0.00 -0.57 0.00 0.00 179.45 179.81 3ce6 h ALA 173 N 1.04 1.00 0.00 3.86 0.00 -0.84 -3.47 119.26 120.85 3ce6 h ALA 173 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3ce6 h ALA 173 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3ce6 h ALA 173 CO 0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.70 3ce6 n GLY 174 N 0.31 0.69 3.59 0.00 0.00 0.30 -5.00 105.19 105.08 3ce6 n GLY 174 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.61 0.00 -0.27 1.61 0.11 -0.96 -5.02 120.40 113.26 3ce6 s VAL 175 Ca 0.00 -0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 58.87 3ce6 s VAL 175 Cb 0.00 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.83 3ce6 s VAL 175 CO 0.00 -0.00 0.50 -0.69 -3.33 0.00 0.00 175.10 171.58 3ce6 s VAL 176 N -0.09 5.07 0.74 2.04 1.01 -1.26 -4.68 120.40 123.24 3ce6 s VAL 176 Ca -0.03 0.79 -0.13 0.00 0.00 0.00 0.00 61.98 62.62 3ce6 s VAL 176 Cb -0.04 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.56 3ce6 s VAL 176 CO 0.04 0.06 1.12 -2.16 0.00 0.00 0.00 175.10 174.16 3ce6 s PRO 177 N 2.29 2.29 0.90 2.72 0.04 -1.26 -4.98 135.00 137.01 3ce6 s PRO 177 Ca 0.20 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.49 3ce6 s PRO 177 Cb -0.16 -1.89 0.13 0.00 0.04 0.00 0.00 34.50 32.63 3ce6 s PRO 177 CO 0.10 -1.64 1.10 -1.25 0.04 0.00 0.00 177.00 175.34 3ce6 s PRO 178 N -4.46 1.17 0.50 0.56 0.04 -1.26 -5.02 135.00 126.54 3ce6 s PRO 178 Ca 0.65 1.09 -0.10 0.00 0.04 0.00 0.00 61.00 62.69 3ce6 s PRO 178 Cb -0.20 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 3ce6 s PRO 178 CO 0.50 -2.38 0.88 0.00 0.04 0.00 0.00 177.00 176.04 3ce6 s ALA 179 N -2.80 3.26 0.44 8.56 0.00 -1.26 -5.08 121.76 124.88 3ce6 s ALA 179 Ca 0.64 -0.22 -0.18 0.00 0.00 0.00 0.00 51.96 52.20 3ce6 s ALA 179 Cb -0.20 -2.82 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 3ce6 s ALA 179 CO 0.58 -0.34 0.92 -1.21 0.00 0.00 0.00 175.76 175.71 3ce6 s GLU 180 N -4.55 4.08 0.30 0.00 2.02 -1.26 -5.00 118.70 114.30 3ce6 s GLU 180 Ca 0.52 0.97 -0.01 0.00 0.02 0.00 0.00 54.97 56.47 3ce6 s GLU 180 Cb -0.10 -2.21 0.48 0.00 0.10 0.00 0.00 34.13 32.40 3ce6 s GLU 180 CO 0.42 -0.08 1.95 1.05 0.02 0.00 0.00 175.26 178.61 3ce6 h GLU 181 N 1.59 1.04 -0.07 1.61 4.11 -2.01 -1.75 114.58 119.10 3ce6 h GLU 181 Ca -0.48 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.89 3ce6 h GLU 181 Cb 1.18 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.20 3ce6 h GLU 181 CO 0.62 0.69 0.00 -0.40 0.07 0.00 0.00 179.01 179.99 3ce6 n ASP 182 N -4.44 0.70 -4.76 3.06 5.75 -1.26 -4.88 116.55 110.72 3ce6 n ASP 182 Ca 0.11 -1.57 -0.37 0.00 -0.01 0.00 0.00 54.79 52.95 3ce6 n ASP 182 Cb 0.10 -0.05 0.03 0.00 -1.03 0.00 0.00 41.12 40.17 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 -1.54 5.39 0.75 -1.12 1.01 -0.66 -4.99 116.67 115.51 3ce6 s ASP 183 Ca 0.28 2.45 -0.15 0.00 0.71 0.00 0.00 52.55 55.84 3ce6 s ASP 183 Cb 0.14 -2.61 0.05 0.00 1.01 0.00 0.00 42.92 41.51 3ce6 s ASP 183 CO 0.22 -1.46 1.21 -0.81 0.21 0.00 0.00 175.17 174.54 3ce6 n PRO 184 N -1.28 0.50 -0.21 8.23 -0.04 -1.26 -4.84 135.00 136.10 3ce6 n PRO 184 Ca 0.12 0.24 -0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3ce6 n PRO 184 Cb 0.48 -2.45 0.23 0.00 -0.04 0.00 0.00 33.50 31.72 3ce6 n PRO 184 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ce6 h ALA 185 N -0.41 1.39 -0.28 0.55 0.00 -1.96 -2.21 119.26 116.35 3ce6 h ALA 185 Ca -0.48 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.18 3ce6 h ALA 185 Cb 1.31 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 3ce6 h ALA 185 CO 0.48 0.52 -0.48 1.49 0.00 0.00 0.00 179.25 181.26 3ce6 h GLU 186 N 0.99 0.75 -0.72 0.00 4.81 -2.00 -2.39 114.58 116.02 3ce6 h GLU 186 Ca 0.26 -0.44 0.01 0.00 -0.13 0.00 0.00 59.36 59.06 3ce6 h GLU 186 Cb -0.03 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 3ce6 h GLU 186 CO -0.05 1.06 0.47 2.35 -0.73 0.00 0.00 179.01 182.11 3ce6 h TRP 187 N 0.59 0.89 -0.86 0.92 2.91 -1.81 -1.00 115.95 117.59 3ce6 h TRP 187 Ca 0.03 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.08 3ce6 h TRP 187 Cb 1.05 -0.30 -0.04 0.00 -0.51 0.00 0.00 29.16 29.36 3ce6 h TRP 187 CO 0.06 0.55 0.56 0.87 -1.03 0.00 0.00 178.44 179.45 3ce6 h LYS 188 N 0.96 1.11 -0.38 2.65 1.57 -1.18 -1.06 116.57 120.23 3ce6 h LYS 188 Ca 0.27 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3ce6 h LYS 188 Cb -0.09 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 31.95 3ce6 h LYS 188 CO -0.07 0.73 0.16 0.28 -0.57 0.00 0.00 179.45 179.99 3ce6 h VAL 189 N 1.14 1.18 0.36 0.50 2.07 -1.20 0.45 116.25 120.76 3ce6 h VAL 189 Ca 0.32 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 3ce6 h VAL 189 Cb -0.10 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3ce6 h VAL 189 CO -0.08 0.20 -0.28 0.15 0.02 0.00 0.00 177.57 177.59 3ce6 h PHE 190 N 0.47 -0.73 -0.87 1.57 3.57 -1.03 -1.48 116.94 118.45 3ce6 h PHE 190 Ca 0.13 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.65 3ce6 h PHE 190 Cb 0.16 0.27 -0.05 0.00 2.79 0.00 0.00 35.95 39.13 3ce6 h PHE 190 CO -0.01 -0.41 0.57 -0.07 -2.23 0.00 0.00 178.31 176.16 3ce6 h LEU 191 N -0.64 0.96 -0.88 0.59 3.38 -1.14 -2.50 115.31 115.08 3ce6 h LEU 191 Ca -0.03 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3ce6 h LEU 191 Cb 0.55 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3ce6 h LEU 191 CO -0.00 0.68 0.56 0.78 0.09 0.00 0.00 178.44 180.55 3ce6 h ASN 192 N 1.13 1.04 -0.34 -0.43 2.35 -0.50 0.53 115.58 119.35 3ce6 h ASN 192 Ca 0.33 -0.05 0.03 0.00 -0.55 0.00 0.00 56.30 56.06 3ce6 h ASN 192 Cb -0.05 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.03 3ce6 h ASN 192 CO -0.09 0.77 0.16 0.25 -1.65 0.00 0.00 177.43 176.88 3ce6 h LEU 193 N 1.21 0.23 -0.34 1.61 6.46 -0.86 -0.64 115.31 122.98 3ce6 h LEU 193 Ca 0.32 0.02 -0.19 0.00 -0.12 0.00 0.00 57.88 57.91 3ce6 h LEU 193 Cb -0.10 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 39.81 3ce6 h LEU 193 CO -0.07 0.17 -0.64 -0.07 -0.62 0.00 0.00 178.44 177.22 3ce6 h LEU 194 N 0.34 0.79 -0.25 2.25 3.38 -1.06 -1.48 115.31 119.28 3ce6 h LEU 194 Ca 0.15 -0.46 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 3ce6 h LEU 194 Cb 0.07 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3ce6 h LEU 194 CO -0.11 1.23 -0.33 -0.09 0.09 0.00 0.00 178.44 179.23 3ce6 h ARG 195 N 0.51 0.66 -0.25 1.13 2.43 -0.81 -0.35 114.38 117.70 3ce6 h ARG 195 Ca -0.01 -0.38 -0.02 0.00 -0.81 0.00 0.00 59.98 58.76 3ce6 h ARG 195 Cb 1.23 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 3ce6 h ARG 195 CO 0.13 0.99 0.07 1.15 -1.51 0.00 0.00 179.97 180.80 3ce6 h THR 196 N 0.38 1.20 -0.67 0.20 2.02 -1.11 -2.90 112.91 112.03 3ce6 h THR 196 Ca 0.03 -0.64 -0.07 0.00 0.77 0.00 0.00 66.41 66.50 3ce6 h THR 196 Cb 0.91 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.44 3ce6 h THR 196 CO 0.08 0.21 0.15 -0.09 0.37 0.00 0.00 175.52 176.23 3ce6 h ARG 197 N 0.23 1.08 0.00 6.66 9.65 -1.10 -2.75 114.38 128.15 3ce6 h ARG 197 Ca 0.08 -0.26 0.00 0.00 -1.10 0.00 0.00 59.98 58.70 3ce6 h ARG 197 Cb 0.25 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 3ce6 h ARG 197 CO -0.00 0.96 0.00 0.35 2.80 0.00 0.00 179.97 184.08 3ce6 h PHE 198 N 1.02 0.00 -0.10 2.20 3.57 -1.00 0.06 116.94 122.69 3ce6 h PHE 198 Ca 0.21 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 3ce6 h PHE 198 Cb 0.38 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3ce6 h PHE 198 CO 0.03 0.00 -0.01 0.93 -2.23 0.00 0.00 178.31 177.03 3ce6 h GLU 199 N 0.00 0.14 0.00 1.11 5.08 -1.28 -3.34 114.58 116.29 3ce6 h GLU 199 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3ce6 h GLU 199 Cb 0.31 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3ce6 h GLU 199 CO 0.00 0.16 -0.67 0.25 -1.00 0.00 0.00 179.01 177.75 3ce6 n THR 200 N -4.44 0.00 -3.50 1.13 -2.24 -0.65 -4.98 114.28 99.60 3ce6 n THR 200 Ca -0.01 -0.27 -0.18 0.00 -2.27 0.00 0.00 64.05 61.32 3ce6 n THR 200 Cb 0.14 0.74 -0.13 0.00 -2.10 0.00 0.00 70.33 68.98 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 -1.98 1.30 0.08 3.42 -1.08 -0.08 -5.04 116.67 113.29 3ce6 s ASP 201 Ca 0.00 -0.18 0.24 0.00 -0.52 0.00 0.00 52.55 52.10 3ce6 s ASP 201 Cb 0.04 0.41 0.35 0.00 -1.46 0.00 0.00 42.92 42.25 3ce6 s ASP 201 CO 0.23 -0.32 1.30 0.29 0.52 0.00 0.00 175.17 177.19 3ce6 n LYS 202 N 5.32 0.23 -0.88 4.34 4.76 -1.26 -4.05 118.16 126.62 3ce6 n LYS 202 Ca -0.05 0.05 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 3ce6 n LYS 202 Cb 0.50 -1.63 0.02 0.00 -1.84 0.00 0.00 35.03 32.07 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 -1.95 0.53 -0.01 4.39 5.68 -1.26 -4.82 116.55 119.11 3ce6 n ASP 203 Ca 0.04 -2.09 -0.12 0.00 -0.50 0.00 0.00 54.79 52.12 3ce6 n ASP 203 Cb 0.42 -0.26 -0.05 0.00 -1.14 0.00 0.00 41.12 40.09 3ce6 n ASP 203 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3ce6 h LYS 204 N 0.42 -0.44 -0.04 0.11 3.64 -1.97 -1.00 116.57 117.30 3ce6 h LYS 204 Ca -0.09 0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 3ce6 h LYS 204 Cb 1.57 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.47 3ce6 h LYS 204 CO 0.04 -0.29 -0.64 -1.49 -2.27 0.00 0.00 179.45 174.80 3ce6 h TRP 205 N -0.45 0.19 -0.64 1.91 4.06 -1.90 -0.85 115.95 118.27 3ce6 h TRP 205 Ca 0.09 -0.08 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 3ce6 h TRP 205 Cb 0.60 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.70 3ce6 h TRP 205 CO -0.47 0.74 0.32 1.15 -3.56 0.00 0.00 178.44 176.62 3ce6 h THR 206 N 0.10 1.21 -0.31 1.49 2.02 -1.83 0.15 112.91 115.75 3ce6 h THR 206 Ca -0.01 -0.58 -0.13 0.00 0.77 0.00 0.00 66.41 66.47 3ce6 h THR 206 Cb 1.14 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.97 3ce6 h THR 206 CO 0.09 0.24 -0.29 0.11 0.37 0.00 0.00 175.52 176.04 3ce6 h LYS 207 N 0.88 0.75 -0.47 6.66 1.57 -1.00 -1.49 116.57 123.47 3ce6 h LYS 207 Ca 0.22 -0.39 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3ce6 h LYS 207 Cb 0.09 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3ce6 h LYS 207 CO -0.03 1.01 0.28 0.82 -0.57 0.00 0.00 179.45 180.96 3ce6 h ILE 208 N 0.51 1.06 -0.64 1.86 2.04 -0.90 -2.27 117.51 119.17 3ce6 h ILE 208 Ca 0.05 -0.19 0.06 0.00 1.00 0.00 0.00 64.86 65.78 3ce6 h ILE 208 Cb 0.87 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 3ce6 h ILE 208 CO 0.07 0.10 0.34 0.00 0.00 0.00 0.00 178.15 178.67 3ce6 h ALA 209 N 1.20 0.85 -0.41 1.87 0.00 -0.56 0.95 119.26 123.16 3ce6 h ALA 209 Ca 0.19 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3ce6 h ALA 209 Cb 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3ce6 h ALA 209 CO -0.08 0.00 0.03 1.49 0.00 0.00 0.00 179.25 180.69 3ce6 h GLU 210 N 0.63 0.64 0.10 0.00 4.57 -1.09 -3.12 114.58 116.31 3ce6 h GLU 210 Ca 0.29 -0.14 -0.26 0.00 -1.18 0.00 0.00 59.36 58.07 3ce6 h GLU 210 Cb 0.20 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3ce6 h GLU 210 CO -0.19 0.64 -1.16 1.03 -1.18 0.00 0.00 179.01 178.15 3ce6 h SER 211 N 0.62 0.40 -2.41 1.04 0.87 -0.77 -3.44 113.55 109.84 3ce6 h SER 211 Ca 0.13 -0.40 -0.54 0.00 -1.23 0.00 0.00 61.79 59.74 3ce6 h SER 211 Cb 0.34 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3ce6 h SER 211 CO 0.01 1.29 1.22 -0.69 -0.53 0.00 0.00 176.83 178.13 3ce6 s VAL 212 N -2.78 3.19 -0.58 2.23 1.01 0.26 -4.41 120.40 119.33 3ce6 s VAL 212 Ca -0.04 0.23 0.24 0.00 0.00 0.00 0.00 61.98 62.41 3ce6 s VAL 212 Cb 0.08 -3.16 0.23 0.00 0.00 0.00 0.00 36.38 33.53 3ce6 s VAL 212 CO 0.87 -0.03 1.57 0.11 0.00 0.00 0.00 175.10 177.62 3ce6 h LYS 213 N 10.77 0.00 0.00 2.72 1.79 -0.63 -3.47 116.57 127.75 3ce6 h LYS 213 Ca -0.45 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.02 3ce6 h LYS 213 Cb 1.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.87 3ce6 h LYS 213 CO 0.95 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 179.73 3ce6 n GLY 214 N 1.24 0.91 3.16 3.86 0.00 -1.26 -4.19 105.19 108.91 3ce6 n GLY 214 Ca 0.04 -0.82 -0.23 0.00 0.00 0.00 0.00 46.02 45.01 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 1.32 -0.12 1.61 0.11 -0.12 -1.89 120.40 119.31 3ce6 s VAL 215 Ca 0.00 -0.84 -0.02 0.00 -2.93 0.00 0.00 61.98 58.19 3ce6 s VAL 215 Cb 0.00 -1.12 -0.03 0.00 -1.53 0.00 0.00 36.38 33.70 3ce6 s VAL 215 CO 0.00 0.26 -0.04 0.42 -3.33 0.00 0.00 175.10 172.41 3ce6 s THR 216 N -0.55 3.87 -0.09 5.04 -4.23 -0.47 -1.01 115.64 118.22 3ce6 s THR 216 Ca 0.06 -0.38 0.04 0.00 -1.18 0.00 0.00 61.69 60.22 3ce6 s THR 216 Cb -0.07 -2.66 0.00 0.00 1.34 0.00 0.00 72.50 71.12 3ce6 s THR 216 CO 0.00 0.54 -0.20 -0.70 -0.54 0.00 0.00 174.62 173.72 3ce6 s GLU 217 N -0.13 2.57 0.04 3.99 2.56 -0.31 -0.08 118.70 127.33 3ce6 s GLU 217 Ca 0.02 -0.73 0.22 0.00 0.00 0.00 0.00 54.97 54.49 3ce6 s GLU 217 Cb -0.13 -1.99 -0.22 0.00 2.00 0.00 0.00 34.13 33.79 3ce6 s GLU 217 CO 0.03 0.14 0.69 -1.91 -0.56 0.00 0.00 175.26 173.64 3ce6 n GLU 218 N 3.57 0.61 -4.18 4.30 0.00 -0.41 -0.54 120.64 123.99 3ce6 n GLU 218 Ca -0.20 -0.09 -0.13 0.00 0.00 0.00 0.00 57.16 56.74 3ce6 n GLU 218 Cb 0.53 -1.61 -0.10 0.00 0.00 0.00 0.00 31.44 30.25 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 -3.44 0.87 0.18 6.31 -1.32 -1.26 -3.55 115.64 113.42 3ce6 s THR 219 Ca -0.05 -1.77 -0.15 0.00 -1.21 0.00 0.00 61.69 58.51 3ce6 s THR 219 Cb 0.13 -1.50 0.14 0.00 -1.51 0.00 0.00 72.50 69.76 3ce6 s THR 219 CO 0.87 -0.69 1.66 0.74 -2.21 0.00 0.00 174.62 174.99 3ce6 h THR 220 N 3.29 0.53 -0.77 5.08 2.02 -1.94 -0.72 112.91 120.40 3ce6 h THR 220 Ca -0.36 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3ce6 h THR 220 Cb 1.18 0.51 -0.04 0.00 -1.74 0.00 0.00 68.15 68.06 3ce6 h THR 220 CO 0.58 0.00 0.49 0.74 0.37 0.00 0.00 175.52 177.70 3ce6 h THR 221 N 0.02 1.21 -0.57 3.16 2.02 -1.94 -1.00 112.91 115.81 3ce6 h THR 221 Ca 0.24 -0.41 -0.08 0.00 0.77 0.00 0.00 66.41 66.93 3ce6 h THR 221 Cb 0.37 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 3ce6 h THR 221 CO -0.48 0.21 0.03 1.23 0.37 0.00 0.00 175.52 176.88 3ce6 h GLY 222 N 1.05 1.04 1.40 2.16 0.00 -1.36 -2.48 103.07 104.88 3ce6 h GLY 222 Ca 0.28 -0.71 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 3ce6 h GLY 222 CO -0.06 0.65 -0.27 -2.08 0.00 0.00 0.00 176.54 174.79 3ce6 h VAL 223 N 0.89 1.28 -0.58 4.60 2.07 -0.63 -0.98 116.25 122.90 3ce6 h VAL 223 Ca 0.17 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.33 3ce6 h VAL 223 Cb 0.48 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3ce6 h VAL 223 CO 0.02 0.45 0.37 0.25 0.02 0.00 0.00 177.57 178.68 3ce6 h LEU 224 N 0.59 0.62 -1.11 2.57 5.85 -0.84 -0.50 115.31 122.49 3ce6 h LEU 224 Ca 0.08 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 3ce6 h LEU 224 Cb 0.76 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3ce6 h LEU 224 CO 0.06 0.44 0.08 0.03 -0.34 0.00 0.00 178.44 178.72 3ce6 h ARG 225 N 0.74 0.71 -0.40 1.25 3.08 -1.02 0.33 114.38 119.08 3ce6 h ARG 225 Ca 0.22 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.09 3ce6 h ARG 225 Cb -0.03 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3ce6 h ARG 225 CO -0.07 0.67 0.11 -0.07 -1.07 0.00 0.00 179.97 179.53 3ce6 h LEU 226 N 0.68 0.60 -1.28 3.04 3.38 -0.08 -0.84 115.31 120.81 3ce6 h LEU 226 Ca 0.15 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3ce6 h LEU 226 Cb 0.30 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3ce6 h LEU 226 CO 0.00 0.67 0.50 1.88 0.09 0.00 0.00 178.44 181.58 3ce6 h TYR 227 N 0.50 0.91 -0.37 1.13 0.05 -0.15 0.43 116.97 119.47 3ce6 h TYR 227 Ca 0.13 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.82 3ce6 h TYR 227 Cb 0.29 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 3ce6 h TYR 227 CO 0.02 0.54 -0.19 1.96 -1.05 0.00 0.00 178.16 179.44 3ce6 h GLN 228 N 0.95 0.78 -0.55 4.88 4.20 -0.58 -0.86 115.11 123.93 3ce6 h GLN 228 Ca 0.29 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3ce6 h GLN 228 Cb 0.00 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3ce6 h GLN 228 CO -0.08 0.97 0.34 0.74 -0.67 0.00 0.00 178.83 180.13 3ce6 h PHE 229 N 0.58 0.72 -0.56 2.96 0.04 -0.84 -2.33 116.94 117.52 3ce6 h PHE 229 Ca 0.08 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.76 3ce6 h PHE 229 Cb 0.74 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.63 3ce6 h PHE 229 CO 0.06 0.49 -0.03 0.00 -0.60 0.00 0.00 178.31 178.22 3ce6 h ALA 230 N 1.17 0.89 -0.29 2.45 0.00 -0.76 0.13 119.26 122.85 3ce6 h ALA 230 Ca 0.20 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3ce6 h ALA 230 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3ce6 h ALA 230 CO -0.04 0.65 -0.30 0.00 0.00 0.00 0.00 179.25 179.56 3ce6 h ALA 231 N 1.05 0.94 0.00 0.00 0.00 -1.06 -2.40 119.26 117.79 3ce6 h ALA 231 Ca 0.16 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3ce6 h ALA 231 Cb 0.57 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3ce6 h ALA 231 CO 0.03 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3ce6 n ALA 232 N -2.50 1.96 -1.79 0.00 0.00 -0.89 -4.92 120.51 112.37 3ce6 n ALA 232 Ca -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 3ce6 n ALA 232 Cb 0.46 -1.28 -0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.19 0.35 0.06 0.00 0.00 -0.90 -4.93 105.19 99.95 3ce6 n GLY 233 Ca 0.09 -0.83 0.01 0.00 0.00 0.00 0.00 46.02 45.28 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 1.53 1.49 -4.56 1.61 8.00 0.42 -4.89 116.55 120.15 3ce6 n ASP 234 Ca -0.03 -1.42 -0.40 0.00 0.71 0.00 0.00 54.79 53.65 3ce6 n ASP 234 Cb 0.41 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 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 -0.45 3.26 0.04 0.64 2.96 -1.11 -4.83 118.68 119.19 3ce6 s LEU 235 Ca 0.02 0.00 0.26 0.00 -0.22 0.00 0.00 54.13 54.19 3ce6 s LEU 235 Cb 0.01 -2.68 0.69 0.00 0.50 0.00 0.00 46.19 44.71 3ce6 s LEU 235 CO 0.02 -1.99 1.56 0.00 -1.32 0.00 0.00 176.35 174.62 3ce6 n ALA 236 N 10.55 3.02 -2.90 5.97 0.00 -1.26 -4.82 120.51 131.07 3ce6 n ALA 236 Ca 0.11 -0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.21 3ce6 n ALA 236 Cb 0.50 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 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 -3.04 -0.12 0.79 0.00 -0.12 -1.26 -4.98 117.98 109.26 3ce6 s PHE 237 Ca 0.11 -0.23 -0.13 0.00 -0.05 0.00 0.00 56.93 56.63 3ce6 s PHE 237 Cb 0.17 0.19 0.07 0.00 -0.63 0.00 0.00 43.02 42.82 3ce6 s PHE 237 CO 0.65 -0.67 1.18 -2.14 -0.05 0.00 0.00 175.22 174.19 3ce6 s PRO 238 N -3.82 1.80 0.00 1.99 0.02 -1.26 -4.49 135.00 129.24 3ce6 s PRO 238 Ca 0.04 1.64 0.01 0.00 0.02 0.00 0.00 61.00 62.71 3ce6 s PRO 238 Cb 0.02 -1.81 -0.00 0.00 0.02 0.00 0.00 34.50 32.73 3ce6 s PRO 238 CO -0.11 -2.07 -0.03 0.00 -0.33 0.00 0.00 177.00 174.46 3ce6 s ALA 239 N -2.27 0.23 -0.19 -1.55 0.00 -0.83 -0.94 121.76 116.21 3ce6 s ALA 239 Ca 0.71 -0.17 -0.05 0.00 0.00 0.00 0.00 51.96 52.45 3ce6 s ALA 239 Cb -0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 3ce6 s ALA 239 CO 0.50 0.04 -0.01 0.42 0.00 0.00 0.00 175.76 176.71 3ce6 s ILE 240 N -0.19 3.93 -0.71 0.00 1.01 -0.18 -0.65 121.20 124.42 3ce6 s ILE 240 Ca -0.00 -0.33 -0.26 0.00 0.00 0.00 0.00 60.65 60.06 3ce6 s ILE 240 Cb -0.02 -2.76 0.04 0.00 0.01 0.00 0.00 42.46 39.73 3ce6 s ILE 240 CO -0.00 0.45 1.22 0.21 0.00 0.00 0.00 174.94 176.81 3ce6 s ASN 241 N 0.83 6.20 0.06 3.58 2.47 0.14 -1.17 114.94 127.06 3ce6 s ASN 241 Ca 0.00 -0.46 0.09 0.00 0.42 0.00 0.00 52.86 52.92 3ce6 s ASN 241 Cb -0.14 -2.54 -0.21 0.00 -1.45 0.00 0.00 41.25 36.91 3ce6 s ASN 241 CO 0.02 -1.73 1.05 0.58 -3.72 0.00 0.00 177.10 173.30 3ce6 h VAL 242 N 6.04 1.35 -0.95 -5.21 2.07 -1.11 -3.32 116.25 115.11 3ce6 h VAL 242 Ca -0.28 -3.10 0.18 0.00 0.82 0.00 0.00 66.70 64.33 3ce6 h VAL 242 Cb 1.05 2.66 -0.08 0.00 -1.52 0.00 0.00 31.29 33.40 3ce6 h VAL 242 CO 1.25 0.77 0.61 -1.13 0.02 0.00 0.00 177.57 179.09 3ce6 h ASN 243 N 0.00 0.64 -0.45 0.57 -0.73 -1.56 -1.87 115.58 112.18 3ce6 h ASN 243 Ca -0.11 0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.12 3ce6 h ASN 243 Cb 1.84 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 40.38 3ce6 h ASN 243 CO 0.11 0.26 0.00 0.47 -0.37 0.00 0.00 177.43 177.90 3ce6 n ASP 244 N -4.62 2.71 -4.67 1.15 8.00 -1.25 -1.45 116.55 116.42 3ce6 n ASP 244 Ca 0.21 -1.96 -0.42 0.00 0.71 0.00 0.00 54.79 53.33 3ce6 n ASP 244 Cb 0.59 -0.30 -0.00 0.00 -0.02 0.00 0.00 41.12 41.39 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 0.98 2.26 -0.19 -2.24 7.64 -0.70 -4.86 113.62 116.51 3ce6 n SER 245 Ca 0.18 1.16 -0.03 0.00 1.01 0.00 0.00 58.87 61.19 3ce6 n SER 245 Cb 0.45 -1.43 0.07 0.00 -1.01 0.00 0.00 64.21 62.28 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 2.23 0.96 0.00 0.44 2.07 -1.90 -0.42 116.25 119.62 3ce6 h VAL 246 Ca -0.45 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3ce6 h VAL 246 Cb 1.30 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3ce6 h VAL 246 CO 0.61 0.10 0.00 0.35 0.02 0.00 0.00 177.57 178.65 3ce6 n THR 247 N -4.85 0.26 0.00 2.57 -2.24 -1.26 -2.70 114.28 106.06 3ce6 n THR 247 Ca 0.06 0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 3ce6 n THR 247 Cb 0.15 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 -1.18 0.00 -0.35 -0.78 0.00 -0.21 -4.30 118.16 111.34 3ce6 n LYS 248 Ca 0.12 0.00 0.03 0.00 0.00 0.00 0.00 58.31 58.46 3ce6 n LYS 248 Cb 0.13 -0.37 0.18 0.00 0.00 0.00 0.00 35.03 34.97 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 0.93 0.45 3.14 4.64 -0.73 0.24 113.55 122.22 3ce6 h SER 249 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3ce6 h SER 249 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 3ce6 h SER 249 CO 0.00 0.57 -0.11 0.29 -0.87 0.00 0.00 176.83 176.71 3ce6 n LYS 250 N -4.58 0.55 0.03 4.77 4.76 -1.10 -3.09 118.16 119.50 3ce6 n LYS 250 Ca 0.15 -0.16 -0.01 0.00 -2.87 0.00 0.00 58.31 55.42 3ce6 n LYS 250 Cb 0.23 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 31.92 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 -1.08 0.00 0.34 2.13 3.01 -0.51 -4.51 117.46 116.84 3ce6 n PHE 251 Ca 0.13 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.43 3ce6 n PHE 251 Cb 0.28 -0.07 -0.08 0.00 -0.01 0.00 0.00 39.48 39.60 3ce6 n PHE 251 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 3ce6 h ASP 252 N -0.12 -0.73 -0.88 4.37 1.82 -0.78 0.42 116.42 120.52 3ce6 h ASP 252 Ca -0.01 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.62 3ce6 h ASP 252 Cb 0.23 0.19 -0.04 0.00 0.68 0.00 0.00 39.33 40.39 3ce6 h ASP 252 CO -0.01 -0.44 0.54 0.78 -1.61 0.00 0.00 179.24 178.51 3ce6 h ASN 253 N -0.99 1.05 0.00 2.28 4.21 -1.52 -1.08 115.58 119.53 3ce6 h ASN 253 Ca -0.09 -0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.36 3ce6 h ASN 253 Cb 0.70 -0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.63 3ce6 h ASN 253 CO 0.14 0.80 -0.01 0.50 -1.29 0.00 0.00 177.43 177.57 3ce6 h LYS 254 N 1.21 0.00 0.00 0.81 3.64 -1.61 -3.28 116.57 117.35 3ce6 h LYS 254 Ca 0.32 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.56 3ce6 h LYS 254 Cb -0.07 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 3ce6 h LYS 254 CO -0.06 0.00 -0.67 1.88 -2.27 0.00 0.00 179.45 178.33 3ce6 h TYR 255 N -0.09 0.00 0.18 1.91 0.05 -0.31 -0.39 116.97 118.31 3ce6 h TYR 255 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3ce6 h TYR 255 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.76 3ce6 h TYR 255 CO -0.01 0.67 -0.09 0.78 -1.05 0.00 0.00 178.16 178.47 3ce6 h GLY 256 N 2.54 -0.26 1.06 3.88 0.00 0.07 -2.46 103.07 107.90 3ce6 h GLY 256 Ca -0.01 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 3ce6 h GLY 256 CO 0.09 -0.09 0.27 -0.84 0.00 0.00 0.00 176.54 175.96 3ce6 h THR 257 N -0.41 1.26 -1.01 4.70 2.02 -1.41 0.44 112.91 118.51 3ce6 h THR 257 Ca -0.03 -0.88 0.23 0.00 0.77 0.00 0.00 66.41 66.50 3ce6 h THR 257 Cb 0.32 0.38 -0.11 0.00 -1.74 0.00 0.00 68.15 67.01 3ce6 h THR 257 CO 0.04 0.35 0.62 -0.09 0.37 0.00 0.00 175.52 176.81 3ce6 h ARG 258 N 1.14 0.58 0.18 6.66 2.43 -0.84 -1.05 114.38 123.48 3ce6 h ARG 258 Ca 0.25 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 3ce6 h ARG 258 Cb 0.27 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3ce6 h ARG 258 CO -0.01 0.38 -0.09 1.25 -1.51 0.00 0.00 179.97 179.99 3ce6 h HIS 259 N 0.60 -0.23 0.00 2.20 2.76 -0.85 -3.40 115.15 116.22 3ce6 h HIS 259 Ca 0.60 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.69 3ce6 h HIS 259 Cb 1.17 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 30.19 3ce6 h HIS 259 CO -0.00 0.16 -0.73 0.66 -1.30 0.00 0.00 177.93 176.71 3ce6 h SER 260 N -0.92 0.00 -0.02 3.26 4.64 -0.66 -3.20 113.55 116.66 3ce6 h SER 260 Ca -0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3ce6 h SER 260 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3ce6 h SER 260 CO 0.04 0.31 0.01 0.25 -0.87 0.00 0.00 176.83 176.57 3ce6 h LEU 261 N 0.00 0.02 -0.80 5.97 5.85 -1.43 -1.10 115.31 123.82 3ce6 h LEU 261 Ca -0.04 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.58 3ce6 h LEU 261 Cb 1.27 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 3ce6 h LEU 261 CO 0.03 0.16 0.50 0.40 -0.34 0.00 0.00 178.44 179.20 3ce6 h ILE 262 N -0.11 1.08 -0.00 4.05 1.08 -1.78 -1.63 117.51 120.19 3ce6 h ILE 262 Ca 0.01 -0.33 0.01 0.00 -0.39 0.00 0.00 64.86 64.16 3ce6 h ILE 262 Cb 0.14 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 33.92 3ce6 h ILE 262 CO -0.00 0.17 -0.07 -0.78 -0.69 0.00 0.00 178.15 176.79 3ce6 h ASP 263 N 0.95 -0.19 -0.20 1.72 3.58 -1.52 0.43 116.42 121.19 3ce6 h ASP 263 Ca 0.33 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.84 3ce6 h ASP 263 Cb 0.08 0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 3ce6 h ASP 263 CO -0.14 -0.10 0.05 1.23 -2.88 0.00 0.00 179.24 177.40 3ce6 h GLY 264 N -0.11 0.23 1.03 -0.78 0.00 -0.81 -1.54 103.07 101.09 3ce6 h GLY 264 Ca 0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3ce6 h GLY 264 CO -0.07 0.01 0.43 -2.22 0.00 0.00 0.00 176.54 174.69 3ce6 h ILE 265 N 0.14 1.25 0.28 2.60 2.04 -1.03 -1.27 117.51 121.51 3ce6 h ILE 265 Ca 0.09 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 3ce6 h ILE 265 Cb 0.08 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 3ce6 h ILE 265 CO -0.11 0.29 -0.15 0.78 0.00 0.00 0.00 178.15 178.96 3ce6 h ASN 266 N 1.16 -0.36 0.01 1.72 2.35 -0.63 -0.09 115.58 119.74 3ce6 h ASN 266 Ca 0.29 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.95 3ce6 h ASN 266 Cb 0.07 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3ce6 h ASN 266 CO -0.04 -0.25 -0.30 0.03 -1.65 0.00 0.00 177.43 175.22 3ce6 h ARG 267 N -0.40 0.44 0.01 0.81 3.08 -1.20 0.20 114.38 117.32 3ce6 h ARG 267 Ca -0.03 -0.18 -0.21 0.00 0.07 0.00 0.00 59.98 59.62 3ce6 h ARG 267 Cb 0.31 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 3ce6 h ARG 267 CO 0.05 0.70 -0.93 0.78 -1.07 0.00 0.00 179.97 179.50 3ce6 h GLY 268 N 1.06 0.32 0.00 0.04 0.00 -0.97 -3.41 103.07 100.11 3ce6 h GLY 268 Ca 0.05 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3ce6 h GLY 268 CO 0.06 0.52 -0.41 -1.30 0.00 0.00 0.00 176.54 175.40 3ce6 n THR 269 N -3.68 0.00 -3.44 4.70 -2.24 -0.07 -4.94 114.28 104.61 3ce6 n THR 269 Ca -0.05 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.49 3ce6 n THR 269 Cb 0.83 0.09 -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 -0.71 -3.19 -4.68 3.42 8.00 0.69 -4.92 116.55 115.16 3ce6 n ASP 270 Ca 0.00 -0.42 -0.40 0.00 0.71 0.00 0.00 54.79 54.68 3ce6 n ASP 270 Cb 0.04 -2.67 -0.05 0.00 -0.02 0.00 0.00 41.12 38.42 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 -2.88 3.48 0.12 2.24 0.00 -1.26 -5.00 121.76 118.45 3ce6 s ALA 271 Ca 0.42 -0.10 -0.35 0.00 0.00 0.00 0.00 51.96 51.93 3ce6 s ALA 271 Cb -0.23 -2.99 -0.16 0.00 0.00 0.00 0.00 23.12 19.75 3ce6 s ALA 271 CO 0.52 -0.40 1.37 -0.11 0.00 0.00 0.00 175.76 177.13 3ce6 n LEU 272 N 4.62 2.01 -0.06 0.00 7.94 -1.26 -4.89 117.00 125.35 3ce6 n LEU 272 Ca -0.01 1.12 -0.22 0.00 -1.11 0.00 0.00 56.01 55.79 3ce6 n LEU 272 Cb 0.50 -1.26 -0.13 0.00 0.53 0.00 0.00 43.42 43.07 3ce6 n LEU 272 CO 0.45 -0.89 -0.90 -0.38 -1.11 0.00 0.00 177.39 174.56 3ce6 n ILE 273 N 2.52 1.64 -1.64 1.96 5.41 -1.26 -4.76 119.36 123.24 3ce6 n ILE 273 Ca 0.17 -0.44 -0.46 0.00 1.00 0.00 0.00 62.75 63.03 3ce6 n ILE 273 Cb 0.23 -1.78 -0.03 0.00 -0.71 0.00 0.00 39.64 37.35 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 1.80 0.41 2.83 7.39 0.00 -1.00 -1.63 105.19 114.98 3ce6 n GLY 274 Ca -0.37 0.46 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 1.82 2.90 3.87 -0.02 0.00 -0.31 -4.86 105.19 108.59 3ce6 n GLY 275 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.24 3.84 -0.21 1.61 -0.14 -0.65 -4.75 119.74 119.20 3ce6 s LYS 276 Ca 0.00 0.41 -0.27 0.00 -1.36 0.00 0.00 55.97 54.75 3ce6 s LYS 276 Cb 0.00 -2.51 -0.00 0.00 -1.68 0.00 0.00 37.83 33.64 3ce6 s LYS 276 CO 0.00 0.16 0.92 0.15 -0.76 0.00 0.00 175.35 175.83 3ce6 s LYS 277 N -3.23 4.25 -0.07 1.68 1.02 -1.26 -0.21 119.74 121.92 3ce6 s LYS 277 Ca 0.50 1.15 0.05 0.00 0.02 0.00 0.00 55.97 57.69 3ce6 s LYS 277 Cb -0.11 -3.62 -0.01 0.00 -0.52 0.00 0.00 37.83 33.57 3ce6 s LYS 277 CO 0.24 -0.51 -0.23 0.08 -0.92 0.00 0.00 175.35 174.00 3ce6 s VAL 278 N 2.79 2.22 -0.22 3.17 1.01 -0.31 -0.61 120.40 128.44 3ce6 s VAL 278 Ca 0.40 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.36 3ce6 s VAL 278 Cb -0.16 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.42 3ce6 s VAL 278 CO 0.08 0.57 -0.09 -0.22 0.00 0.00 0.00 175.10 175.44 3ce6 s LEU 279 N -0.13 2.82 -0.22 3.92 2.96 0.23 -0.91 118.68 127.36 3ce6 s LEU 279 Ca -0.04 -0.65 -0.05 0.00 -0.22 0.00 0.00 54.13 53.17 3ce6 s LEU 279 Cb -0.14 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3ce6 s LEU 279 CO 0.04 -0.06 -0.00 -0.63 -1.32 0.00 0.00 176.35 174.38 3ce6 s ILE 280 N 1.37 3.79 -0.41 6.68 -1.09 -0.21 -1.04 121.20 130.29 3ce6 s ILE 280 Ca 0.03 -0.36 -0.17 0.00 -2.23 0.00 0.00 60.65 57.93 3ce6 s ILE 280 Cb -0.15 -2.73 0.02 0.00 -1.58 0.00 0.00 42.46 38.02 3ce6 s ILE 280 CO -0.06 0.41 0.42 0.00 -1.23 0.00 0.00 174.94 174.48 3ce6 n GLY 282 N 5.08 2.26 2.71 0.00 0.00 0.06 -0.22 105.19 115.08 3ce6 n GLY 282 Ca -0.08 -1.58 -0.06 0.00 0.00 0.00 0.00 46.02 44.30 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 1.80 1.37 -0.31 1.61 9.36 -1.26 -4.30 117.16 125.43 3ce6 n TYR 283 Ca 0.00 -2.48 0.00 0.00 3.32 0.00 0.00 57.90 58.74 3ce6 n TYR 283 Cb 0.00 -0.30 0.00 0.00 -0.63 0.00 0.00 39.34 38.41 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 -0.36 -0.25 0.25 2.98 0.00 -1.26 -4.47 105.19 102.09 3ce6 n GLY 284 Ca 0.11 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.39 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 0.64 -0.25 1.61 3.32 -1.90 0.38 116.42 120.22 3ce6 h ASP 285 Ca 0.00 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 56.69 3ce6 h ASP 285 Cb 0.00 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 3ce6 h ASP 285 CO 0.00 0.86 -0.37 0.58 -1.72 0.00 0.00 179.24 178.59 3ce6 h VAL 286 N 0.56 1.31 -0.43 -1.35 2.07 -1.88 -1.72 116.25 114.82 3ce6 h VAL 286 Ca 0.08 -1.56 -0.08 0.00 0.82 0.00 0.00 66.70 65.96 3ce6 h VAL 286 Cb 0.69 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 3ce6 h VAL 286 CO 0.05 0.49 -0.06 1.23 0.02 0.00 0.00 177.57 179.31 3ce6 h GLY 287 N 0.40 0.79 1.01 2.17 0.00 -1.68 0.12 103.07 105.88 3ce6 h GLY 287 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3ce6 h GLY 287 CO 0.08 0.51 0.50 0.50 0.00 0.00 0.00 176.54 178.14 3ce6 h LYS 288 N 0.68 1.05 -0.52 4.80 1.57 -0.15 0.10 116.57 124.09 3ce6 h LYS 288 Ca 0.13 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 3ce6 h LYS 288 Cb 0.50 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3ce6 h LYS 288 CO 0.03 0.71 -0.14 0.78 -0.57 0.00 0.00 179.45 180.26 3ce6 h GLY 289 N 1.07 1.10 0.93 3.86 0.00 -0.45 -1.13 103.07 108.45 3ce6 h GLY 289 Ca 0.29 -0.92 0.01 0.00 0.00 0.00 0.00 47.33 46.70 3ce6 h GLY 289 CO -0.06 0.84 -0.02 0.00 0.00 0.00 0.00 176.54 177.30 3ce6 h ALA 291 N 0.97 1.22 -0.53 0.00 0.00 -0.65 -0.55 119.26 119.72 3ce6 h ALA 291 Ca 0.01 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 3ce6 h ALA 291 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3ce6 h ALA 291 CO -0.03 0.51 -0.03 1.49 0.00 0.00 0.00 179.25 181.20 3ce6 h GLU 292 N 0.61 0.95 -0.08 0.00 4.81 -1.01 0.14 114.58 119.99 3ce6 h GLU 292 Ca 0.12 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.03 3ce6 h GLU 292 Cb 0.42 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 3ce6 h GLU 292 CO 0.02 0.97 0.03 0.00 -0.73 0.00 0.00 179.01 179.31 3ce6 h ALA 293 N 0.94 0.10 -0.37 2.92 0.00 -0.40 -0.94 119.26 121.50 3ce6 h ALA 293 Ca 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3ce6 h ALA 293 Cb 0.56 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3ce6 h ALA 293 CO 0.03 -0.32 0.13 0.52 0.00 0.00 0.00 179.25 179.61 3ce6 h MET 294 N -0.02 0.57 -0.86 0.00 2.86 -0.91 -2.53 114.93 114.05 3ce6 h MET 294 Ca 0.03 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 57.60 3ce6 h MET 294 Cb 0.15 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.66 3ce6 h MET 294 CO -0.00 0.57 0.54 -0.22 1.06 0.00 0.00 176.91 178.86 3ce6 h LYS 295 N 0.46 0.99 0.00 1.72 3.64 -0.63 -0.88 116.57 121.86 3ce6 h LYS 295 Ca 0.12 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3ce6 h LYS 295 Cb 0.22 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3ce6 h LYS 295 CO -0.01 0.65 -0.07 0.78 -2.27 0.00 0.00 179.45 178.53 3ce6 h GLY 296 N 1.02 0.00 -1.33 5.01 0.00 -0.78 -0.07 103.07 106.92 3ce6 h GLY 296 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 3ce6 h GLY 296 CO -0.15 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.33 3ce6 n GLN 297 N -3.77 2.01 -0.44 4.80 1.13 -0.68 -4.93 117.38 115.49 3ce6 n GLN 297 Ca -0.02 -1.51 0.00 0.00 -1.94 0.00 0.00 57.00 53.53 3ce6 n GLN 297 Cb 0.17 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.08 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 1.26 0.75 3.80 1.08 0.00 -0.04 -2.38 105.19 109.66 3ce6 n GLY 298 Ca 0.17 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 2.49 -0.57 4.61 0.00 -0.42 -1.17 121.76 124.69 3ce6 s ALA 299 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 51.96 52.00 3ce6 s ALA 299 Cb 0.00 -3.22 0.14 0.00 0.00 0.00 0.00 23.12 20.05 3ce6 s ALA 299 CO 0.00 -1.47 0.48 1.03 0.00 0.00 0.00 175.76 175.80 3ce6 s ARG 300 N -4.98 2.88 -0.14 0.00 0.52 0.70 -4.57 118.95 113.36 3ce6 s ARG 300 Ca 0.59 -1.92 -0.17 0.00 -0.52 0.00 0.00 55.73 53.72 3ce6 s ARG 300 Cb -0.15 -4.15 -0.04 0.00 0.52 0.00 0.00 34.95 31.13 3ce6 s ARG 300 CO 0.55 -1.26 0.43 0.08 0.02 0.00 0.00 175.30 175.12 3ce6 s VAL 301 N 1.15 5.22 0.26 3.52 1.01 -1.26 -1.16 120.40 129.13 3ce6 s VAL 301 Ca 0.07 0.83 0.12 0.00 0.00 0.00 0.00 61.98 63.01 3ce6 s VAL 301 Cb -0.25 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 3ce6 s VAL 301 CO -0.01 0.34 -0.21 -0.44 0.00 0.00 0.00 175.10 174.78 3ce6 s SER 302 N 0.62 3.52 -0.01 3.32 0.01 -0.09 -4.03 113.70 117.03 3ce6 s SER 302 Ca 0.23 -0.99 0.05 0.00 1.31 0.00 0.00 55.95 56.55 3ce6 s SER 302 Cb -0.14 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.79 3ce6 s SER 302 CO 0.08 0.05 -0.15 -0.69 0.41 0.00 0.00 173.24 172.95 3ce6 s VAL 303 N -2.30 1.17 0.10 3.43 1.01 -0.31 -1.05 120.40 122.44 3ce6 s VAL 303 Ca 0.27 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3ce6 s VAL 303 Cb -0.06 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 3ce6 s VAL 303 CO 0.13 0.33 0.06 0.42 0.00 0.00 0.00 175.10 176.04 3ce6 s THR 304 N -0.33 4.32 -0.05 3.92 -4.23 -0.07 -0.85 115.64 118.36 3ce6 s THR 304 Ca 0.05 -0.91 -0.31 0.00 -1.18 0.00 0.00 61.69 59.35 3ce6 s THR 304 Cb -0.06 -3.09 0.07 0.00 1.34 0.00 0.00 72.50 70.76 3ce6 s THR 304 CO -0.00 0.09 0.69 -1.61 -0.54 0.00 0.00 174.62 173.24 3ce6 s GLU 305 N -2.47 1.05 0.03 3.99 0.41 -1.26 -0.76 118.70 119.68 3ce6 s GLU 305 Ca 0.28 0.23 0.22 0.00 -0.41 0.00 0.00 54.97 55.29 3ce6 s GLU 305 Cb -0.12 0.50 -0.24 0.00 -1.78 0.00 0.00 34.13 32.48 3ce6 s GLU 305 CO 0.21 -0.33 0.64 0.44 -0.49 0.00 0.00 175.26 175.73 3ce6 n ILE 306 N 0.85 0.14 -3.58 -1.63 -6.64 -1.26 -4.94 119.36 102.31 3ce6 n ILE 306 Ca -0.19 -0.48 -0.39 0.00 -1.77 0.00 0.00 62.75 59.92 3ce6 n ILE 306 Cb 0.57 -0.03 -0.11 0.00 -1.44 0.00 0.00 39.64 38.64 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 -4.62 5.96 0.48 7.28 -1.08 -1.26 -4.96 116.67 118.46 3ce6 s ASP 307 Ca -0.05 -0.25 0.13 0.00 -0.52 0.00 0.00 52.55 51.86 3ce6 s ASP 307 Cb 0.13 -2.11 1.12 0.00 -1.46 0.00 0.00 42.92 40.60 3ce6 s ASP 307 CO 0.88 -0.15 2.11 1.55 0.52 0.00 0.00 175.17 180.08 3ce6 h PRO 308 N 8.42 0.18 0.46 4.34 0.13 -1.98 -0.81 132.00 142.73 3ce6 h PRO 308 Ca -0.33 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.76 3ce6 h PRO 308 Cb 1.17 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3ce6 h PRO 308 CO 0.59 0.13 -0.22 0.82 -0.23 0.00 0.00 178.00 179.10 3ce6 h ILE 309 N 0.19 0.52 -0.67 -3.56 2.04 -2.00 0.18 117.51 114.21 3ce6 h ILE 309 Ca 0.05 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3ce6 h ILE 309 Cb 0.00 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3ce6 h ILE 309 CO -0.01 0.05 0.33 0.78 0.00 0.00 0.00 178.15 179.30 3ce6 h ASN 310 N -0.80 0.84 -0.44 1.72 2.35 -1.85 -1.18 115.58 116.23 3ce6 h ASN 310 Ca -0.06 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3ce6 h ASN 310 Cb 0.55 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.69 3ce6 h ASN 310 CO 0.10 0.70 0.24 0.00 -1.65 0.00 0.00 177.43 176.83 3ce6 h ALA 311 N 1.43 0.57 -0.29 -0.83 0.00 -1.09 -1.21 119.26 117.84 3ce6 h ALA 311 Ca 0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3ce6 h ALA 311 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3ce6 h ALA 311 CO -0.03 0.09 0.01 1.25 0.00 0.00 0.00 179.25 180.57 3ce6 h LEU 312 N 0.58 0.40 -0.24 0.00 5.85 -0.10 -1.95 115.31 119.86 3ce6 h LEU 312 Ca 0.16 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 3ce6 h LEU 312 Cb 0.05 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3ce6 h LEU 312 CO -0.03 0.46 0.14 1.56 -0.34 0.00 0.00 178.44 180.24 3ce6 h GLN 313 N 0.43 0.33 -0.84 1.25 4.20 -0.92 0.91 115.11 120.47 3ce6 h GLN 313 Ca 0.10 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.82 3ce6 h GLN 313 Cb 0.27 -0.07 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 3ce6 h GLN 313 CO 0.01 0.28 0.53 0.00 -0.67 0.00 0.00 178.83 178.98 3ce6 h ALA 314 N 1.03 1.13 -0.41 3.87 0.00 -0.61 -1.07 119.26 123.20 3ce6 h ALA 314 Ca 0.09 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 3ce6 h ALA 314 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3ce6 h ALA 314 CO -0.01 0.30 -0.34 0.52 0.00 0.00 0.00 179.25 179.72 3ce6 h MET 315 N 0.98 0.96 0.00 0.00 2.86 -1.00 -1.52 114.93 117.21 3ce6 h MET 315 Ca 0.35 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 3ce6 h MET 315 Cb 0.11 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.77 3ce6 h MET 315 CO -0.15 1.14 0.00 0.52 1.06 0.00 0.00 176.91 179.48 3ce6 h MET 316 N 0.79 0.00 -0.52 1.72 2.07 -0.31 -1.50 114.93 117.18 3ce6 h MET 316 Ca 0.08 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.71 3ce6 h MET 316 Cb 0.93 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.66 3ce6 h MET 316 CO 0.09 0.00 0.00 0.39 1.07 0.00 0.00 176.91 178.46 3ce6 n GLU 317 N -2.75 2.48 -0.24 1.72 1.02 -0.45 -4.95 120.64 117.46 3ce6 n GLU 317 Ca -0.01 -2.27 0.00 0.00 -0.02 0.00 0.00 57.16 54.85 3ce6 n GLU 317 Cb 0.12 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.52 0.85 3.35 0.62 0.00 -0.57 -5.05 105.19 105.91 3ce6 n GLY 318 Ca 0.21 -0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 2.75 0.61 1.61 0.08 -0.64 -4.97 117.98 115.42 3ce6 s PHE 319 Ca 0.00 -0.67 -0.19 0.00 0.12 0.00 0.00 56.93 56.19 3ce6 s PHE 319 Cb 0.00 -1.80 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 3ce6 s PHE 319 CO 0.00 -0.21 1.14 -0.25 -0.10 0.00 0.00 175.22 175.80 3ce6 n ASP 320 N 3.41 1.53 -4.17 1.36 8.00 -1.26 -3.50 116.55 121.92 3ce6 n ASP 320 Ca -0.18 0.84 -0.34 0.00 0.71 0.00 0.00 54.79 55.82 3ce6 n ASP 320 Cb 0.53 -1.48 -0.14 0.00 -0.02 0.00 0.00 41.12 40.01 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 -1.43 2.71 0.23 2.53 1.01 -1.26 -1.16 120.40 123.03 3ce6 s VAL 321 Ca 0.78 -1.15 0.04 0.00 0.00 0.00 0.00 61.98 61.64 3ce6 s VAL 321 Cb -0.41 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 3ce6 s VAL 321 CO 0.45 0.16 -0.01 0.68 0.00 0.00 0.00 175.10 176.38 3ce6 s VAL 322 N 1.28 1.10 0.32 2.92 -7.23 -0.03 -4.98 120.40 113.79 3ce6 s VAL 322 Ca -0.01 -2.04 -0.01 0.00 -1.81 0.00 0.00 61.98 58.10 3ce6 s VAL 322 Cb -0.17 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 3ce6 s VAL 322 CO -0.05 -0.33 0.54 0.42 -0.31 0.00 0.00 175.10 175.36 3ce6 s THR 323 N -3.37 5.10 0.22 5.32 -4.23 -1.26 -3.87 115.64 113.54 3ce6 s THR 323 Ca 0.28 -0.34 -0.08 0.00 -1.18 0.00 0.00 61.69 60.37 3ce6 s THR 323 Cb 0.05 -3.82 0.16 0.00 1.34 0.00 0.00 72.50 70.23 3ce6 s THR 323 CO 0.09 -0.47 1.76 0.58 -0.54 0.00 0.00 174.62 176.03 3ce6 h VAL 324 N 0.95 0.80 -0.94 2.29 2.07 -1.96 -2.22 116.25 117.24 3ce6 h VAL 324 Ca -0.49 -0.17 0.08 0.00 0.82 0.00 0.00 66.70 66.94 3ce6 h VAL 324 Cb 1.21 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 3ce6 h VAL 324 CO 0.63 0.09 0.59 -0.33 0.02 0.00 0.00 177.57 178.57 3ce6 h GLU 325 N 0.50 1.00 0.00 1.57 3.07 -1.97 0.75 114.58 119.50 3ce6 h GLU 325 Ca 0.33 -0.06 -0.10 0.00 -0.50 0.00 0.00 59.36 59.03 3ce6 h GLU 325 Cb 0.39 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3ce6 h GLU 325 CO -0.29 0.66 -0.48 1.05 -1.40 0.00 0.00 179.01 178.55 3ce6 h GLU 326 N 1.03 0.00 -0.00 2.33 4.11 -1.83 -3.37 114.58 116.85 3ce6 h GLU 326 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.85 3ce6 h GLU 326 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3ce6 h GLU 326 CO -0.20 0.48 -0.39 0.00 0.07 0.00 0.00 179.01 178.97 3ce6 n ALA 327 N -2.23 3.08 -0.01 1.06 0.00 -0.68 -4.65 120.51 117.09 3ce6 n ALA 327 Ca 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.21 3ce6 n ALA 327 Cb 0.72 -0.30 0.25 0.00 0.00 0.00 0.00 19.45 20.12 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 0.01 1.22 -0.02 0.00 6.09 -1.05 -2.72 117.51 121.04 3ce6 h ILE 328 Ca 0.00 -0.95 -0.03 0.00 -1.37 0.00 0.00 64.86 62.51 3ce6 h ILE 328 Cb 0.20 1.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 3ce6 h ILE 328 CO 0.00 0.32 -0.15 1.23 -3.07 0.00 0.00 178.15 176.47 3ce6 h GLY 329 N 0.90 0.03 -0.94 8.18 0.00 -1.83 -3.01 103.07 106.40 3ce6 h GLY 329 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3ce6 h GLY 329 CO 0.02 0.01 -0.11 1.22 0.00 0.00 0.00 176.54 177.68 3ce6 n ASP 330 N -4.35 1.90 -4.73 0.19 9.92 -1.05 -3.89 116.55 114.55 3ce6 n ASP 330 Ca -0.02 -1.45 -0.41 0.00 -0.53 0.00 0.00 54.79 52.37 3ce6 n ASP 330 Cb 0.23 0.19 -0.04 0.00 -0.64 0.00 0.00 41.12 40.85 3ce6 n ASP 330 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3ce6 s ALA 331 N -1.39 3.29 0.04 2.24 0.00 -1.06 -4.79 121.76 120.10 3ce6 s ALA 331 Ca 0.15 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.81 3ce6 s ALA 331 Cb 0.12 -3.33 -0.25 0.00 0.00 0.00 0.00 23.12 19.66 3ce6 s ALA 331 CO 0.24 -0.15 0.97 -0.44 0.00 0.00 0.00 175.76 176.39 3ce6 h ASP 332 N 5.66 0.21 -3.70 0.00 3.32 -1.21 -3.40 116.42 117.29 3ce6 h ASP 332 Ca -0.43 -0.28 -0.32 0.00 0.02 0.00 0.00 57.03 56.02 3ce6 h ASP 332 Cb 1.21 -0.07 -0.31 0.00 0.22 0.00 0.00 39.33 40.39 3ce6 h ASP 332 CO 0.73 1.23 -0.75 -0.63 -1.72 0.00 0.00 179.24 178.10 3ce6 s ILE 333 N -2.64 0.28 -0.10 0.35 1.01 -1.02 -1.27 121.20 117.81 3ce6 s ILE 333 Ca -0.05 -0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.54 3ce6 s ILE 333 Cb 0.08 -0.29 0.02 0.00 0.01 0.00 0.00 42.46 42.27 3ce6 s ILE 333 CO 0.84 0.12 -0.13 -0.69 0.00 0.00 0.00 174.94 175.08 3ce6 s VAL 334 N 0.37 1.34 -0.09 2.92 1.01 0.69 -0.60 120.40 126.04 3ce6 s VAL 334 Ca -0.04 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.43 3ce6 s VAL 334 Cb -0.07 -1.25 0.01 0.00 0.00 0.00 0.00 36.38 35.07 3ce6 s VAL 334 CO -0.01 0.41 -0.18 -0.69 0.00 0.00 0.00 175.10 174.64 3ce6 s VAL 335 N 1.11 1.62 -0.17 2.92 1.01 -0.20 -1.13 120.40 125.56 3ce6 s VAL 335 Ca -0.05 -0.75 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 3ce6 s VAL 335 Cb -0.14 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3ce6 s VAL 335 CO -0.03 0.46 0.39 0.42 0.00 0.00 0.00 175.10 176.35 3ce6 s THR 336 N 0.63 5.22 -0.20 3.92 -4.23 -0.54 -0.63 115.64 119.82 3ce6 s THR 336 Ca -0.14 0.73 0.21 0.00 -1.18 0.00 0.00 61.69 61.31 3ce6 s THR 336 Cb -0.16 -3.73 0.48 0.00 1.34 0.00 0.00 72.50 70.43 3ce6 s THR 336 CO 0.04 0.30 1.14 0.00 -0.54 0.00 0.00 174.62 175.56 3ce6 n ALA 337 N 4.09 2.90 -0.08 3.99 0.00 0.69 -0.34 120.51 131.76 3ce6 n ALA 337 Ca -0.09 -2.82 -0.06 0.00 0.00 0.00 0.00 53.44 50.47 3ce6 n ALA 337 Cb 0.51 -0.75 -0.14 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.38 1.08 -0.98 0.00 -2.24 -1.23 -4.33 114.28 106.19 3ce6 n THR 338 Ca 0.12 -0.73 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 3ce6 n THR 338 Cb 0.90 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.81 0.39 3.75 3.38 0.00 -1.26 -5.01 105.19 108.25 3ce6 n GLY 339 Ca -0.26 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.49 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 2.82 -4.61 1.61 2.85 -1.26 -4.96 115.26 111.44 3ce6 n ASN 340 Ca 0.00 -2.91 -0.23 0.00 -0.11 0.00 0.00 54.58 51.33 3ce6 n ASN 340 Cb 0.13 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.08 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 -4.19 2.16 -0.88 1.20 -2.85 -1.26 -3.93 119.74 109.99 3ce6 s LYS 341 Ca 0.27 -1.50 -0.04 0.00 -1.00 0.00 0.00 55.97 53.71 3ce6 s LYS 341 Cb -0.02 -2.07 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 3ce6 s LYS 341 CO 0.17 0.35 0.76 -0.25 0.10 0.00 0.00 175.35 176.49 3ce6 n ASP 342 N -0.84 -3.89 -0.03 0.03 8.00 -0.09 -4.89 116.55 114.84 3ce6 n ASP 342 Ca -0.06 -0.39 -0.22 0.00 0.71 0.00 0.00 54.79 54.84 3ce6 n ASP 342 Cb 0.59 -3.60 -0.13 0.00 -0.02 0.00 0.00 41.12 37.96 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 -1.64 0.73 -3.64 0.53 1.08 -0.91 -3.42 117.51 110.25 3ce6 h ILE 343 Ca -0.39 -2.29 -0.67 0.00 -0.39 0.00 0.00 64.86 61.12 3ce6 h ILE 343 Cb 1.24 2.42 -0.39 0.00 -3.07 0.00 0.00 36.82 37.03 3ce6 h ILE 343 CO 0.36 0.71 -0.67 -0.63 -0.69 0.00 0.00 178.15 177.23 3ce6 s ILE 344 N -2.50 2.55 0.62 -0.67 -1.09 -0.56 -5.01 121.20 114.54 3ce6 s ILE 344 Ca -0.24 -2.27 -0.06 0.00 -2.23 0.00 0.00 60.65 55.85 3ce6 s ILE 344 Cb 0.06 -2.84 0.03 0.00 -1.58 0.00 0.00 42.46 38.13 3ce6 s ILE 344 CO 0.71 -0.62 0.92 -0.04 -1.23 0.00 0.00 174.94 174.69 3ce6 s MET 345 N 0.97 2.66 0.30 2.79 -1.94 -1.26 -0.73 119.30 122.08 3ce6 s MET 345 Ca 0.10 -0.15 0.04 0.00 -1.71 0.00 0.00 55.69 53.98 3ce6 s MET 345 Cb -0.20 -2.26 0.68 0.00 2.01 0.00 0.00 34.83 35.07 3ce6 s MET 345 CO -0.07 -0.87 1.79 1.25 -0.01 0.00 0.00 175.02 177.12 3ce6 h LEU 346 N -0.29 0.83 -1.68 -0.03 5.85 -1.94 0.12 115.31 118.17 3ce6 h LEU 346 Ca -0.45 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.39 3ce6 h LEU 346 Cb 1.28 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.22 3ce6 h LEU 346 CO 0.60 0.34 0.28 -0.08 -0.34 0.00 0.00 178.44 179.23 3ce6 h GLU 347 N 0.83 0.41 -0.13 1.25 4.81 -1.99 0.17 114.58 119.94 3ce6 h GLU 347 Ca 0.56 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.55 3ce6 h GLU 347 Cb 0.78 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.07 3ce6 h GLU 347 CO -0.35 0.27 -0.78 0.45 -0.73 0.00 0.00 179.01 177.88 3ce6 h HIS 348 N 0.42 0.91 -0.53 0.92 3.86 -1.38 -2.98 115.15 116.38 3ce6 h HIS 348 Ca 0.17 -0.41 -0.09 0.00 -1.16 0.00 0.00 60.37 58.88 3ce6 h HIS 348 Cb 0.15 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 3ce6 h HIS 348 CO -0.00 1.22 -0.02 0.82 0.86 0.00 0.00 177.93 180.81 3ce6 h ILE 349 N 0.46 1.27 -0.02 2.45 2.04 -0.29 -1.45 117.51 121.96 3ce6 h ILE 349 Ca -0.05 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 64.69 3ce6 h ILE 349 Cb 1.39 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 38.41 3ce6 h ILE 349 CO 0.15 0.40 0.04 0.11 0.00 0.00 0.00 178.15 178.85 3ce6 h LYS 350 N 0.81 0.00 0.00 2.37 1.57 -0.99 -1.80 116.57 118.54 3ce6 h LYS 350 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3ce6 h LYS 350 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3ce6 h LYS 350 CO 0.03 0.00 -0.34 0.00 -0.57 0.00 0.00 179.45 178.57 3ce6 n ALA 351 N -2.16 2.70 -1.39 3.86 0.00 -0.57 -4.95 120.51 118.00 3ce6 n ALA 351 Ca -0.03 -0.16 -0.33 0.00 0.00 0.00 0.00 53.44 52.92 3ce6 n ALA 351 Cb 0.12 -1.30 0.07 0.00 0.00 0.00 0.00 19.45 18.34 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 -3.12 2.40 0.74 0.00 -1.94 -0.68 -4.14 119.30 112.56 3ce6 s MET 352 Ca 0.09 1.54 -0.11 0.00 -1.71 0.00 0.00 55.69 55.50 3ce6 s MET 352 Cb 0.14 -1.89 0.04 0.00 2.01 0.00 0.00 34.83 35.13 3ce6 s MET 352 CO 0.66 -1.59 1.08 -1.59 -0.01 0.00 0.00 175.02 173.57 3ce6 s LYS 353 N -4.09 2.56 0.26 2.03 -2.85 -1.25 -4.93 119.74 111.46 3ce6 s LYS 353 Ca 0.70 0.70 -0.30 0.00 -1.00 0.00 0.00 55.97 56.07 3ce6 s LYS 353 Cb -0.24 -1.97 -0.10 0.00 -2.06 0.00 0.00 37.83 33.46 3ce6 s LYS 353 CO 0.45 -1.30 1.41 0.34 0.10 0.00 0.00 175.35 176.35 3ce6 s ASP 354 N -3.97 6.68 -0.74 0.03 2.15 -1.26 -1.79 116.67 117.77 3ce6 s ASP 354 Ca 0.59 2.65 0.00 0.00 0.43 0.00 0.00 52.55 56.22 3ce6 s ASP 354 Cb -0.13 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 3ce6 s ASP 354 CO 0.54 -0.67 0.00 1.41 -0.17 0.00 0.00 175.17 176.28 3ce6 n HIS 355 N 2.14 0.00 -1.16 -5.34 8.25 0.15 -4.92 115.22 114.35 3ce6 n HIS 355 Ca 0.06 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.20 3ce6 n HIS 355 Cb 0.41 -1.82 0.11 0.00 1.12 0.00 0.00 29.99 29.81 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 -1.99 1.96 -0.10 -1.41 0.00 -0.74 -4.63 121.76 114.86 3ce6 s ALA 356 Ca 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 51.96 52.53 3ce6 s ALA 356 Cb 0.00 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 3ce6 s ALA 356 CO 0.00 -2.10 -0.06 0.42 0.00 0.00 0.00 175.76 174.02 3ce6 s ILE 357 N -2.50 3.74 -0.10 0.00 1.01 -0.39 -0.70 121.20 122.25 3ce6 s ILE 357 Ca 0.67 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.89 3ce6 s ILE 357 Cb -0.23 -2.56 0.02 0.00 0.01 0.00 0.00 42.46 39.70 3ce6 s ILE 357 CO 0.52 0.56 -0.12 -0.22 0.00 0.00 0.00 174.94 175.68 3ce6 s LEU 358 N -0.40 1.56 0.12 2.97 2.96 0.78 -0.23 118.68 126.44 3ce6 s LEU 358 Ca 0.06 -0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 3ce6 s LEU 358 Cb -0.12 -0.96 -0.01 0.00 0.50 0.00 0.00 46.19 45.60 3ce6 s LEU 358 CO 0.02 -0.02 0.22 -0.83 -1.32 0.00 0.00 176.35 174.42 3ce6 s GLY 359 N 1.14 0.28 0.02 7.98 0.00 -0.28 -1.24 107.32 115.22 3ce6 s GLY 359 Ca -0.05 -0.77 0.08 0.00 0.00 0.00 0.00 44.72 43.99 3ce6 s GLY 359 CO -0.03 -0.85 -0.24 0.21 0.00 0.00 0.00 173.10 172.19 3ce6 s ASN 360 N -2.91 2.86 0.00 1.64 2.47 -1.26 -1.46 114.94 116.27 3ce6 s ASN 360 Ca 0.10 -0.51 0.00 0.00 0.42 0.00 0.00 52.86 52.87 3ce6 s ASN 360 Cb 0.04 -0.28 0.00 0.00 -1.45 0.00 0.00 41.25 39.57 3ce6 s ASN 360 CO -0.06 0.25 0.40 0.00 -3.72 0.00 0.00 177.10 173.97 3ce6 n ILE 361 N 2.08 0.00 -1.13 -5.21 3.06 0.53 -0.51 119.36 118.18 3ce6 n ILE 361 Ca -0.16 -0.43 -0.29 0.00 -2.50 0.00 0.00 62.75 59.36 3ce6 n ILE 361 Cb 0.52 1.12 0.18 0.00 0.54 0.00 0.00 39.64 42.00 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 -0.07 1.57 0.31 4.50 0.00 -1.15 -4.84 107.32 107.65 3ce6 s GLY 362 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 44.72 44.40 3ce6 s GLY 362 CO 0.00 0.29 1.96 0.84 0.00 0.00 0.00 173.10 176.20 3ce6 h HIS 363 N -1.91 0.93 -4.24 1.90 2.76 -1.95 -3.38 115.15 109.25 3ce6 h HIS 363 Ca -0.54 0.01 -0.69 0.00 -2.20 0.00 0.00 60.37 56.94 3ce6 h HIS 363 Cb 1.32 -0.31 -0.26 0.00 1.55 0.00 0.00 27.41 29.72 3ce6 h HIS 363 CO 0.30 0.61 -0.88 -0.06 -1.30 0.00 0.00 177.93 176.61 3ce6 s PHE 364 N -5.75 2.33 -0.57 5.26 0.08 -1.26 -4.64 117.98 113.43 3ce6 s PHE 364 Ca -0.11 -0.40 0.10 0.00 0.12 0.00 0.00 56.93 56.64 3ce6 s PHE 364 Cb 0.17 -1.38 0.56 0.00 -0.57 0.00 0.00 43.02 41.81 3ce6 s PHE 364 CO 0.78 0.16 1.30 -0.40 -0.10 0.00 0.00 175.22 176.96 3ce6 n ASP 365 N 1.65 0.27 0.00 1.36 5.75 -1.26 -3.59 116.55 120.74 3ce6 n ASP 365 Ca -0.17 0.61 0.10 0.00 -0.01 0.00 0.00 54.79 55.32 3ce6 n ASP 365 Cb 0.52 -0.64 0.57 0.00 -1.03 0.00 0.00 41.12 40.54 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 -1.86 0.00 0.23 -1.12 6.94 -1.26 -1.80 115.26 116.39 3ce6 n ASN 366 Ca -0.01 -1.23 0.08 0.00 -0.02 0.00 0.00 54.58 53.40 3ce6 n ASN 366 Cb 0.04 0.00 0.53 0.00 -2.36 0.00 0.00 39.78 38.00 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 -5.69 -3.83 5.08 -1.68 -0.21 114.58 108.25 3ce6 h GLU 367 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 3ce6 h GLU 367 Cb 0.00 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.05 3ce6 h GLU 367 CO 0.00 0.23 -0.68 0.42 -1.00 0.00 0.00 179.01 177.98 3ce6 s ILE 368 N -4.19 3.83 -0.83 3.13 1.01 -0.75 -0.34 121.20 123.07 3ce6 s ILE 368 Ca -0.03 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 3ce6 s ILE 368 Cb 0.14 -2.63 -0.06 0.00 0.01 0.00 0.00 42.46 39.92 3ce6 s ILE 368 CO 0.66 0.55 2.00 -0.67 0.00 0.00 0.00 174.94 177.47 3ce6 n ASP 369 N 2.88 4.22 -0.13 3.58 2.03 0.09 -4.67 116.55 124.56 3ce6 n ASP 369 Ca -0.18 -2.35 -0.00 0.00 0.52 0.00 0.00 54.79 52.78 3ce6 n ASP 369 Cb 0.53 -1.05 0.26 0.00 -0.72 0.00 0.00 41.12 40.13 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 6.68 0.81 -0.50 -0.67 2.86 -1.88 -1.25 114.93 120.98 3ce6 h MET 370 Ca 0.45 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.96 3ce6 h MET 370 Cb 0.22 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3ce6 h MET 370 CO 1.49 0.63 0.22 0.00 1.06 0.00 0.00 176.91 180.31 3ce6 h ALA 371 N 1.49 0.65 -0.54 6.32 0.00 -1.97 -0.27 119.26 124.93 3ce6 h ALA 371 Ca 0.20 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3ce6 h ALA 371 Cb 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3ce6 h ALA 371 CO -0.03 0.23 0.30 0.78 0.00 0.00 0.00 179.25 180.54 3ce6 h GLY 372 N 0.66 0.77 0.99 0.00 0.00 -1.88 -2.53 103.07 101.08 3ce6 h GLY 372 Ca 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3ce6 h GLY 372 CO -0.02 0.16 0.30 -2.00 0.00 0.00 0.00 176.54 174.98 3ce6 h LEU 373 N 0.59 0.74 -1.25 3.11 5.85 -0.74 -1.78 115.31 121.83 3ce6 h LEU 373 Ca 0.23 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3ce6 h LEU 373 Cb 0.09 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3ce6 h LEU 373 CO -0.13 0.64 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.07 3ce6 h GLU 374 N 0.79 0.00 -0.51 1.25 5.08 -0.79 -2.70 114.58 117.70 3ce6 h GLU 374 Ca 0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 3ce6 h GLU 374 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3ce6 h GLU 374 CO -0.03 0.20 0.00 0.54 -1.00 0.00 0.00 179.01 178.72 3ce6 n ARG 375 N -3.42 3.03 0.11 2.33 1.74 -0.98 -4.64 116.66 114.83 3ce6 n ARG 375 Ca -0.00 -2.48 0.13 0.00 -0.77 0.00 0.00 57.85 54.72 3ce6 n ARG 375 Cb 0.40 -1.54 0.30 0.00 -1.02 0.00 0.00 32.46 30.60 3ce6 n ARG 375 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3ce6 h SER 376 N 3.06 0.00 0.00 0.55 4.64 -0.98 -3.47 113.55 117.35 3ce6 h SER 376 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3ce6 h SER 376 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3ce6 h SER 376 CO 0.07 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 3ce6 n GLY 377 N 1.29 1.11 3.73 -0.77 0.00 -1.26 -5.07 105.19 104.22 3ce6 n GLY 377 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.39 2.32 0.04 4.61 0.00 -1.26 -4.76 121.76 120.31 3ce6 s ALA 378 Ca 0.00 1.02 0.04 0.00 0.00 0.00 0.00 51.96 53.02 3ce6 s ALA 378 Cb 0.00 -3.49 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3ce6 s ALA 378 CO 0.00 -1.59 -0.05 0.95 0.00 0.00 0.00 175.76 175.07 3ce6 s THR 379 N -1.69 3.72 -0.07 0.00 -4.23 -0.41 -4.88 115.64 108.08 3ce6 s THR 379 Ca 0.78 -0.89 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 3ce6 s THR 379 Cb -0.32 -2.68 -0.03 0.00 1.34 0.00 0.00 72.50 70.81 3ce6 s THR 379 CO 0.40 0.29 -0.05 -0.60 -0.54 0.00 0.00 174.62 174.12 3ce6 s ARG 380 N -1.75 2.81 -0.12 3.99 3.52 -1.26 -0.76 118.95 125.38 3ce6 s ARG 380 Ca 0.20 -0.51 0.02 0.00 -0.13 0.00 0.00 55.73 55.30 3ce6 s ARG 380 Cb -0.11 -2.64 0.01 0.00 -1.56 0.00 0.00 34.95 30.65 3ce6 s ARG 380 CO 0.11 0.67 -0.16 0.08 -0.81 0.00 0.00 175.30 175.19 3ce6 s VAL 381 N -0.82 1.58 -0.03 7.11 1.01 0.91 -4.98 120.40 125.18 3ce6 s VAL 381 Ca 0.12 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 3ce6 s VAL 381 Cb -0.11 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3ce6 s VAL 381 CO 0.02 0.46 1.11 0.21 0.00 0.00 0.00 175.10 176.90 3ce6 s ASN 382 N 1.01 7.17 -0.15 3.32 3.84 -1.26 -0.18 114.94 128.68 3ce6 s ASN 382 Ca -0.06 1.77 -0.14 0.00 0.21 0.00 0.00 52.86 54.64 3ce6 s ASN 382 Cb -0.15 -2.56 -0.24 0.00 -0.55 0.00 0.00 41.25 37.75 3ce6 s ASN 382 CO -0.02 -0.46 0.36 0.58 -2.79 0.00 0.00 177.10 174.76 3ce6 h VAL 383 N 4.87 0.81 -2.53 -5.21 2.07 -1.37 -3.48 116.25 111.42 3ce6 h VAL 383 Ca -0.37 -2.30 0.16 0.00 0.82 0.00 0.00 66.70 65.01 3ce6 h VAL 383 Cb 1.18 2.45 -0.04 0.00 -1.52 0.00 0.00 31.29 33.37 3ce6 h VAL 383 CO 0.83 0.66 0.57 -1.59 0.02 0.00 0.00 177.57 178.06 3ce6 s LYS 384 N -2.48 1.33 0.33 1.57 -2.85 -1.15 -5.04 119.74 111.46 3ce6 s LYS 384 Ca -0.24 -0.85 -0.29 0.00 -1.00 0.00 0.00 55.97 53.59 3ce6 s LYS 384 Cb 0.06 0.38 -0.12 0.00 -2.06 0.00 0.00 37.83 36.09 3ce6 s LYS 384 CO 0.71 -0.62 1.51 -2.30 0.10 0.00 0.00 175.35 174.74 3ce6 n PRO 385 N -0.68 2.60 -1.64 1.78 -0.02 -1.26 -1.18 135.00 134.60 3ce6 n PRO 385 Ca -0.03 0.92 -0.19 0.00 -2.02 0.00 0.00 63.50 62.18 3ce6 n PRO 385 Cb 0.60 -2.65 -0.07 0.00 -0.02 0.00 0.00 33.50 31.36 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 1.19 -1.46 -3.76 -0.52 3.00 -1.26 -4.96 117.38 109.62 3ce6 n GLN 386 Ca 0.05 1.07 -0.23 0.00 -0.01 0.00 0.00 57.00 57.88 3ce6 n GLN 386 Cb 0.37 -5.45 -0.17 0.00 0.00 0.00 0.00 30.24 24.99 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 -2.61 0.34 0.01 5.09 1.01 -0.32 -0.39 120.40 123.54 3ce6 s VAL 387 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.11 3ce6 s VAL 387 Cb 0.00 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 3ce6 s VAL 387 CO 0.00 0.20 -0.18 -1.81 0.00 0.00 0.00 175.10 173.31 3ce6 s ASP 388 N 1.98 2.10 -0.22 3.32 1.01 -0.83 -0.87 116.67 123.17 3ce6 s ASP 388 Ca 0.04 -0.40 -0.05 0.00 0.71 0.00 0.00 52.55 52.85 3ce6 s ASP 388 Cb -0.13 -0.20 -0.02 0.00 1.01 0.00 0.00 42.92 43.58 3ce6 s ASP 388 CO -0.05 0.17 0.01 -0.22 0.21 0.00 0.00 175.17 175.29 3ce6 s LEU 389 N -0.75 3.24 -0.16 1.23 2.96 0.75 -0.26 118.68 125.68 3ce6 s LEU 389 Ca 0.06 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.71 3ce6 s LEU 389 Cb -0.07 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3ce6 s LEU 389 CO 0.00 0.02 -0.08 0.26 -1.32 0.00 0.00 176.35 175.24 3ce6 s TRP 390 N 1.27 2.93 -0.10 5.38 0.52 0.02 -0.06 118.94 128.89 3ce6 s TRP 390 Ca 0.04 -0.56 0.04 0.00 0.02 0.00 0.00 56.10 55.64 3ce6 s TRP 390 Cb -0.15 -1.94 0.00 0.00 -1.15 0.00 0.00 33.47 30.23 3ce6 s TRP 390 CO 0.01 -0.20 -0.23 0.99 0.02 0.00 0.00 176.95 177.53 3ce6 s THR 391 N 0.57 2.02 -0.34 2.01 2.01 0.06 -0.35 115.64 121.62 3ce6 s THR 391 Ca -0.05 -0.99 -0.20 0.00 0.31 0.00 0.00 61.69 60.76 3ce6 s THR 391 Cb -0.15 -1.75 -0.00 0.00 0.01 0.00 0.00 72.50 70.61 3ce6 s THR 391 CO 0.03 0.55 0.62 -0.36 -0.69 0.00 0.00 174.62 174.77 3ce6 s PHE 392 N 0.38 3.17 0.10 4.92 0.08 -0.59 -1.29 117.98 124.76 3ce6 s PHE 392 Ca -0.18 0.40 0.24 0.00 0.12 0.00 0.00 56.93 57.50 3ce6 s PHE 392 Cb -0.18 -3.07 0.86 0.00 -0.57 0.00 0.00 43.02 40.06 3ce6 s PHE 392 CO 0.08 -0.57 1.80 0.78 -0.10 0.00 0.00 175.22 177.21 3ce6 h GLY 393 N 9.28 0.00 1.42 4.36 0.00 -1.87 0.54 103.07 116.80 3ce6 h GLY 393 Ca -0.27 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.01 3ce6 h GLY 393 CO 0.82 0.00 0.08 1.29 0.00 0.00 0.00 176.54 178.73 3ce6 h ASP 394 N 0.00 0.68 0.00 0.19 2.03 -1.96 -3.21 116.42 114.15 3ce6 h ASP 394 Ca -0.00 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.17 3ce6 h ASP 394 Cb 0.79 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.11 3ce6 h ASP 394 CO 0.03 0.70 -1.58 0.35 -1.03 0.00 0.00 179.24 177.71 3ce6 n THR 395 N -4.27 0.00 -0.57 1.15 -2.24 -1.13 -4.98 114.28 102.23 3ce6 n THR 395 Ca 0.03 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 3ce6 n THR 395 Cb 0.23 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 1.50 1.14 3.87 3.38 0.00 0.19 -5.02 105.19 110.25 3ce6 n GLY 396 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.27 3.85 0.14 1.61 0.52 -1.19 -4.85 118.95 118.76 3ce6 s ARG 397 Ca 0.00 0.33 0.10 0.00 -0.52 0.00 0.00 55.73 55.64 3ce6 s ARG 397 Cb 0.00 -2.71 -0.04 0.00 0.52 0.00 0.00 34.95 32.72 3ce6 s ARG 397 CO 0.00 0.36 -0.23 -1.12 0.02 0.00 0.00 175.30 174.32 3ce6 s SER 398 N -2.20 3.00 0.01 0.23 0.01 -1.26 -1.54 113.70 111.95 3ce6 s SER 398 Ca 0.45 -0.77 0.05 0.00 1.31 0.00 0.00 55.95 56.99 3ce6 s SER 398 Cb -0.12 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 65.90 3ce6 s SER 398 CO 0.21 0.10 -0.16 -0.63 0.41 0.00 0.00 173.24 173.16 3ce6 s ILE 399 N -1.38 1.29 -0.21 1.44 -1.09 0.52 0.34 121.20 122.11 3ce6 s ILE 399 Ca 0.13 -0.84 -0.17 0.00 -2.23 0.00 0.00 60.65 57.54 3ce6 s ILE 399 Cb -0.09 -1.10 -0.03 0.00 -1.58 0.00 0.00 42.46 39.66 3ce6 s ILE 399 CO 0.06 0.25 0.48 -0.63 -1.23 0.00 0.00 174.94 173.87 3ce6 s ILE 400 N -0.55 5.13 -0.17 2.92 1.01 0.12 -0.80 121.20 128.86 3ce6 s ILE 400 Ca 0.05 0.86 -0.04 0.00 0.00 0.00 0.00 60.65 61.53 3ce6 s ILE 400 Cb -0.07 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 3ce6 s ILE 400 CO 0.00 0.19 -0.04 -0.69 0.00 0.00 0.00 174.94 174.40 3ce6 s VAL 401 N 1.64 3.78 -0.09 2.92 1.01 0.64 -0.16 120.40 130.14 3ce6 s VAL 401 Ca 0.22 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 3ce6 s VAL 401 Cb -0.15 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 3ce6 s VAL 401 CO 0.09 0.48 0.39 -0.76 0.00 0.00 0.00 175.10 175.29 3ce6 s LEU 402 N 0.59 4.34 -1.61 3.92 1.43 -0.37 -1.96 118.68 125.01 3ce6 s LEU 402 Ca -0.03 0.76 0.00 0.00 -1.03 0.00 0.00 54.13 53.83 3ce6 s LEU 402 Cb -0.14 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.54 3ce6 s LEU 402 CO 0.03 0.16 0.00 -1.20 0.23 0.00 0.00 176.35 175.56 3ce6 n SER 403 N 2.95 -5.22 -3.91 2.29 7.64 0.48 -1.25 113.62 116.61 3ce6 n SER 403 Ca -0.11 0.11 -0.31 0.00 1.01 0.00 0.00 58.87 59.56 3ce6 n SER 403 Cb 0.52 -4.41 -0.03 0.00 -1.01 0.00 0.00 64.21 59.28 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 -2.84 -2.72 -0.23 1.43 1.02 -1.26 -0.11 120.64 115.93 3ce6 n GLU 404 Ca -0.21 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3ce6 n GLU 404 Cb 0.65 -5.00 0.00 0.00 -0.02 0.00 0.00 31.44 27.07 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 -1.19 1.44 3.91 0.62 0.00 -0.38 -4.96 105.19 104.63 3ce6 n GLY 405 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.39 2.40 0.05 1.61 3.00 0.84 -4.09 118.95 122.36 3ce6 s ARG 406 Ca 0.00 0.05 -0.31 0.00 0.00 0.00 0.00 55.73 55.47 3ce6 s ARG 406 Cb 0.00 -2.09 -0.10 0.00 0.00 0.00 0.00 34.95 32.76 3ce6 s ARG 406 CO 0.00 -1.21 1.89 1.47 0.00 0.00 0.00 175.30 177.46 3ce6 n LEU 407 N -3.00 3.93 0.10 2.53 -0.00 -1.26 -4.52 117.00 114.79 3ce6 n LEU 407 Ca 0.07 0.95 -0.01 0.00 -0.00 0.00 0.00 56.01 57.02 3ce6 n LEU 407 Cb 0.59 -1.50 -0.04 0.00 -0.00 0.00 0.00 43.42 42.48 3ce6 n LEU 407 CO 0.55 0.12 0.27 0.17 -0.00 0.00 0.00 177.39 178.50 3ce6 h LEU 408 N 9.40 0.00 -0.44 1.47 8.10 -1.12 -1.80 115.31 130.92 3ce6 h LEU 408 Ca -0.48 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 57.47 3ce6 h LEU 408 Cb 1.24 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.44 3ce6 h LEU 408 CO 0.94 0.68 0.13 -0.55 -4.11 0.00 0.00 178.44 175.53 3ce6 h ASN 409 N 0.00 0.64 1.17 0.17 -1.07 -1.83 0.14 115.58 114.81 3ce6 h ASN 409 Ca -0.03 -0.21 -0.15 0.00 0.07 0.00 0.00 56.30 55.98 3ce6 h ASN 409 Cb 1.54 -0.17 -0.02 0.00 -2.07 0.00 0.00 38.32 37.60 3ce6 h ASN 409 CO 0.08 0.69 -0.73 -0.07 0.07 0.00 0.00 177.43 177.47 3ce6 h LEU 410 N 0.57 0.00 0.12 6.14 3.38 -1.82 -1.34 115.31 122.37 3ce6 h LEU 410 Ca 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3ce6 h LEU 410 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3ce6 h LEU 410 CO -0.00 0.73 -0.06 1.23 0.09 0.00 0.00 178.44 180.43 3ce6 h GLY 411 N 3.08 -0.17 1.31 0.83 0.00 -1.13 -3.37 103.07 103.61 3ce6 h GLY 411 Ca -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 3ce6 h GLY 411 CO 0.09 -0.06 -0.70 3.43 0.00 0.00 0.00 176.54 179.31 3ce6 h ASN 412 N -0.90 0.00 0.00 0.19 2.35 -0.89 -3.47 115.58 112.85 3ce6 h ASN 412 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3ce6 h ASN 412 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3ce6 h ASN 412 CO 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 3ce6 n ALA 413 N -2.16 0.00 -0.55 -0.83 0.00 -0.82 -4.52 120.51 111.63 3ce6 n ALA 413 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.51 3ce6 n ALA 413 Cb 0.55 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.09 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 1.49 -4.32 0.00 -2.24 -1.07 -4.65 114.28 103.49 3ce6 n THR 414 Ca 0.00 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.18 3ce6 n THR 414 Cb 0.00 0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.77 -1.48 3.74 3.38 0.00 -0.57 -4.84 105.19 104.66 3ce6 n GLY 415 Ca 0.10 -1.26 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 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 0.00 2.26 0.68 1.61 3.76 -1.26 -4.67 115.29 117.67 3ce6 s HIS 416 Ca 0.00 1.52 -0.14 0.00 -0.15 0.00 0.00 55.06 56.29 3ce6 s HIS 416 Cb 0.00 -3.54 0.01 0.00 1.11 0.00 0.00 32.58 30.16 3ce6 s HIS 416 CO 0.00 -2.47 1.11 -1.25 -0.85 0.00 0.00 174.74 171.28 3ce6 s PRO 417 N -3.44 2.68 0.27 8.40 0.04 -1.26 -4.84 135.00 136.85 3ce6 s PRO 417 Ca 0.78 1.35 -0.01 0.00 0.04 0.00 0.00 61.00 63.17 3ce6 s PRO 417 Cb -0.32 -1.94 0.54 0.00 0.04 0.00 0.00 34.50 32.82 3ce6 s PRO 417 CO 0.37 -1.34 1.77 0.77 0.04 0.00 0.00 177.00 178.61 3ce6 h SER 418 N -0.21 0.58 0.14 6.66 0.02 -1.94 -1.65 113.55 117.16 3ce6 h SER 418 Ca -0.46 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 60.53 3ce6 h SER 418 Cb 1.24 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 3ce6 h SER 418 CO 0.53 0.25 -0.18 0.15 -1.14 0.00 0.00 176.83 176.45 3ce6 h PHE 419 N 0.67 0.09 -0.02 3.45 3.04 -1.89 0.11 116.94 122.39 3ce6 h PHE 419 Ca 0.47 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.40 3ce6 h PHE 419 Cb 0.64 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.12 3ce6 h PHE 419 CO -0.08 0.26 -0.02 0.28 -2.02 0.00 0.00 178.31 176.74 3ce6 h VAL 420 N 0.08 1.38 0.00 1.41 2.07 -1.67 -3.17 116.25 116.36 3ce6 h VAL 420 Ca 0.02 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.40 3ce6 h VAL 420 Cb 0.37 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 3ce6 h VAL 420 CO 0.02 0.30 0.00 0.24 0.02 0.00 0.00 177.57 178.16 3ce6 h MET 421 N -0.42 0.00 -0.15 1.57 2.86 -0.57 -1.81 114.93 116.42 3ce6 h MET 421 Ca 0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 3ce6 h MET 421 Cb 0.50 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3ce6 h MET 421 CO 0.00 0.00 -0.33 1.03 1.06 0.00 0.00 176.91 178.67 3ce6 h SER 422 N 0.00 0.31 0.29 1.22 0.87 -0.77 0.31 113.55 115.77 3ce6 h SER 422 Ca 0.00 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 3ce6 h SER 422 Cb 0.09 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 3ce6 h SER 422 CO 0.00 0.63 -0.14 0.78 -0.53 0.00 0.00 176.83 177.57 3ce6 h ASN 423 N 0.26 -0.33 -0.66 6.23 4.21 -1.43 -0.78 115.58 123.09 3ce6 h ASN 423 Ca 0.03 -0.14 -0.00 0.00 1.21 0.00 0.00 56.30 57.40 3ce6 h ASN 423 Cb 0.72 0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.97 3ce6 h ASN 423 CO 0.05 -0.04 0.41 0.28 -1.29 0.00 0.00 177.43 176.84 3ce6 h SER 424 N -0.63 0.78 1.39 5.81 0.02 -1.43 -1.54 113.55 117.95 3ce6 h SER 424 Ca -0.04 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.78 3ce6 h SER 424 Cb 0.45 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3ce6 h SER 424 CO 0.07 0.60 -0.63 -0.26 -1.14 0.00 0.00 176.83 175.46 3ce6 h PHE 425 N 0.89 0.00 -0.34 3.45 0.04 -0.46 0.12 116.94 120.65 3ce6 h PHE 425 Ca 0.24 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.87 3ce6 h PHE 425 Cb -0.05 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 3ce6 h PHE 425 CO -0.02 0.36 -0.34 0.00 -0.60 0.00 0.00 178.31 177.70 3ce6 h ALA 426 N 1.64 0.49 -0.49 2.45 0.00 -0.87 -0.71 119.26 121.78 3ce6 h ALA 426 Ca -0.03 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.47 3ce6 h ALA 426 Cb 1.30 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3ce6 h ALA 426 CO 0.04 0.56 0.28 -0.91 0.00 0.00 0.00 179.25 179.22 3ce6 h ASN 427 N 0.61 0.44 -0.03 0.00 -0.26 -1.05 -0.65 115.58 114.63 3ce6 h ASN 427 Ca 0.05 0.01 -0.11 0.00 -0.56 0.00 0.00 56.30 55.70 3ce6 h ASN 427 Cb 0.93 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 38.09 3ce6 h ASN 427 CO 0.08 0.31 -0.30 -0.61 -1.06 0.00 0.00 177.43 175.86 3ce6 h GLN 428 N 0.56 0.49 -0.05 0.81 4.15 -0.68 -0.49 115.11 119.89 3ce6 h GLN 428 Ca 0.20 -0.20 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3ce6 h GLN 428 Cb 0.04 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 3ce6 h GLN 428 CO -0.10 0.74 -0.05 1.15 -1.93 0.00 0.00 178.83 178.63 3ce6 h THR 429 N 0.42 1.38 -0.73 2.39 2.02 -0.92 0.10 112.91 117.58 3ce6 h THR 429 Ca 0.06 -1.22 0.11 0.00 0.77 0.00 0.00 66.41 66.12 3ce6 h THR 429 Cb 0.74 2.10 -0.08 0.00 -1.74 0.00 0.00 68.15 69.17 3ce6 h THR 429 CO 0.06 0.33 0.34 0.40 0.37 0.00 0.00 175.52 177.02 3ce6 h ILE 430 N -0.35 0.78 -0.55 3.11 2.04 -0.98 0.18 117.51 121.74 3ce6 h ILE 430 Ca 0.01 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.58 3ce6 h ILE 430 Cb 0.56 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3ce6 h ILE 430 CO 0.01 0.10 -0.05 0.00 0.00 0.00 0.00 178.15 178.21 3ce6 h ALA 431 N 1.47 0.86 -0.62 1.87 0.00 -0.69 0.20 119.26 122.35 3ce6 h ALA 431 Ca 0.37 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3ce6 h ALA 431 Cb 0.46 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3ce6 h ALA 431 CO -0.32 0.65 0.17 1.96 0.00 0.00 0.00 179.25 181.72 3ce6 h GLN 432 N 0.90 0.98 0.02 0.00 1.08 -0.06 -1.10 115.11 116.93 3ce6 h GLN 432 Ca 0.15 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 3ce6 h GLN 432 Cb 0.60 -0.13 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 3ce6 h GLN 432 CO 0.04 0.88 -0.01 0.82 -0.95 0.00 0.00 178.83 179.61 3ce6 h ILE 433 N 0.90 1.03 -0.19 2.54 2.04 -0.40 -0.60 117.51 122.83 3ce6 h ILE 433 Ca 0.20 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.89 3ce6 h ILE 433 Cb 0.32 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3ce6 h ILE 433 CO -0.00 0.04 0.12 -0.33 0.00 0.00 0.00 178.15 177.98 3ce6 h GLU 434 N -0.10 0.26 -0.50 2.37 4.39 -0.39 0.39 114.58 120.98 3ce6 h GLU 434 Ca -0.00 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 3ce6 h GLU 434 Cb 0.09 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3ce6 h GLU 434 CO 0.01 0.19 0.04 -0.07 -1.16 0.00 0.00 179.01 178.02 3ce6 h LEU 435 N 0.24 0.77 0.18 1.33 3.38 -1.12 -1.52 115.31 118.57 3ce6 h LEU 435 Ca 0.07 -0.17 -0.24 0.00 0.09 0.00 0.00 57.88 57.63 3ce6 h LEU 435 Cb 0.00 -0.20 0.03 0.00 0.09 0.00 0.00 40.66 40.57 3ce6 h LEU 435 CO -0.01 0.81 -1.08 -0.25 0.09 0.00 0.00 178.44 178.00 3ce6 h TRP 436 N 0.76 0.68 0.00 1.13 2.91 -0.91 -3.01 115.95 117.50 3ce6 h TRP 436 Ca 0.16 -0.49 0.00 0.00 1.13 0.00 0.00 58.89 59.68 3ce6 h TRP 436 Cb 0.40 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.03 3ce6 h TRP 436 CO 0.02 1.41 -0.76 0.25 -1.03 0.00 0.00 178.44 178.33 3ce6 n THR 437 N -3.98 0.17 -2.00 2.65 -2.24 0.11 -4.08 114.28 104.92 3ce6 n THR 437 Ca -0.16 -0.17 0.05 0.00 -2.27 0.00 0.00 64.05 61.50 3ce6 n THR 437 Cb 0.92 0.16 0.12 0.00 -2.10 0.00 0.00 70.33 69.43 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 -1.86 0.83 -0.36 -0.78 5.02 -0.58 -4.94 118.16 115.50 3ce6 n LYS 438 Ca 0.03 -2.65 0.05 0.00 -2.02 0.00 0.00 58.31 53.73 3ce6 n LYS 438 Cb 0.40 -0.86 0.21 0.00 -0.02 0.00 0.00 35.03 34.76 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 0.95 0.95 0.31 4.39 -0.73 -1.67 -1.36 115.58 118.42 3ce6 h ASN 439 Ca -0.10 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.10 3ce6 h ASN 439 Cb 1.41 -0.16 0.00 0.00 0.27 0.00 0.00 38.32 39.84 3ce6 h ASN 439 CO 0.04 0.54 0.00 0.44 -0.37 0.00 0.00 177.43 178.09 3ce6 h ASP 440 N 1.05 0.00 1.17 1.15 3.32 -1.92 -1.82 116.42 119.37 3ce6 h ASP 440 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 3ce6 h ASP 440 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3ce6 h ASP 440 CO -0.23 0.00 0.00 -0.33 -1.72 0.00 0.00 179.24 176.96 3ce6 h GLU 441 N 0.00 0.00 -5.54 3.56 5.08 -1.65 -3.45 114.58 112.58 3ce6 h GLU 441 Ca 0.00 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.72 3ce6 h GLU 441 Cb 0.15 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.27 3ce6 h GLU 441 CO 0.00 0.00 -0.55 0.71 -1.00 0.00 0.00 179.01 178.17 3ce6 s TYR 442 N -3.23 3.34 0.67 4.33 1.51 -0.68 -5.11 117.35 118.16 3ce6 s TYR 442 Ca 0.07 0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 56.35 3ce6 s TYR 442 Cb 0.10 -1.98 0.14 0.00 -0.11 0.00 0.00 41.96 40.11 3ce6 s TYR 442 CO 0.51 0.40 0.92 -0.25 -1.11 0.00 0.00 175.55 176.02 3ce6 n ASP 443 N 2.78 1.01 -4.04 2.29 8.00 -1.26 -4.88 116.55 120.44 3ce6 n ASP 443 Ca -0.18 -1.90 -0.43 0.00 0.71 0.00 0.00 54.79 52.99 3ce6 n ASP 443 Cb 0.53 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 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 -3.05 4.71 -4.10 -2.24 3.02 -1.26 -4.01 115.26 108.33 3ce6 n ASN 444 Ca 0.14 -2.97 -0.11 0.00 -0.03 0.00 0.00 54.58 51.62 3ce6 n ASN 444 Cb 0.51 -1.60 -0.08 0.00 -0.61 0.00 0.00 39.78 38.01 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 2.09 1.38 -0.13 3.52 2.02 -1.26 -4.86 118.70 121.46 3ce6 s GLU 445 Ca 0.45 -1.44 -0.14 0.00 0.02 0.00 0.00 54.97 53.85 3ce6 s GLU 445 Cb 0.08 0.37 -0.05 0.00 0.10 0.00 0.00 34.13 34.63 3ce6 s GLU 445 CO -0.01 -0.52 0.33 0.08 0.02 0.00 0.00 175.26 175.16 3ce6 s VAL 446 N -4.09 5.26 0.28 2.63 1.01 -1.26 -1.96 120.40 122.27 3ce6 s VAL 446 Ca 0.31 0.64 0.11 0.00 0.00 0.00 0.00 61.98 63.04 3ce6 s VAL 446 Cb 0.03 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 3ce6 s VAL 446 CO 0.11 0.42 -0.12 -0.31 0.00 0.00 0.00 175.10 175.19 3ce6 s TYR 447 N 0.17 2.43 0.13 5.22 1.51 0.18 -4.95 117.35 122.05 3ce6 s TYR 447 Ca 0.19 -0.31 0.10 0.00 -1.01 0.00 0.00 57.07 56.04 3ce6 s TYR 447 Cb -0.14 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.58 3ce6 s TYR 447 CO 0.06 0.67 -0.24 1.03 -1.11 0.00 0.00 175.55 175.97 3ce6 s ARG 448 N -3.58 1.31 0.45 -0.62 0.52 -1.26 0.29 118.95 116.06 3ce6 s ARG 448 Ca 0.31 -1.31 -0.25 0.00 -0.52 0.00 0.00 55.73 53.96 3ce6 s ARG 448 Cb -0.05 -1.68 -0.08 0.00 0.52 0.00 0.00 34.95 33.67 3ce6 s ARG 448 CO 0.17 0.39 1.36 -0.51 0.02 0.00 0.00 175.30 176.72 3ce6 s LEU 449 N -2.12 4.09 0.80 2.53 1.43 -1.26 -4.97 118.68 119.19 3ce6 s LEU 449 Ca 0.12 2.76 -0.13 0.00 -1.03 0.00 0.00 54.13 55.85 3ce6 s LEU 449 Cb -0.09 -4.00 0.08 0.00 0.03 0.00 0.00 46.19 42.20 3ce6 s LEU 449 CO 0.06 -1.12 1.21 -2.16 0.23 0.00 0.00 176.35 174.57 3ce6 s PRO 450 N -2.48 1.65 0.28 1.29 0.04 -1.26 -4.88 135.00 129.64 3ce6 s PRO 450 Ca 0.62 1.77 -0.02 0.00 0.04 0.00 0.00 61.00 63.41 3ce6 s PRO 450 Cb -0.40 -1.78 0.38 0.00 0.04 0.00 0.00 34.50 32.75 3ce6 s PRO 450 CO 0.51 -2.21 1.83 -0.22 0.04 0.00 0.00 177.00 176.95 3ce6 h LYS 451 N -0.87 0.86 -0.32 4.56 3.64 -1.99 -2.19 116.57 120.27 3ce6 h LYS 451 Ca -0.46 -0.17 0.07 0.00 -1.27 0.00 0.00 60.65 58.82 3ce6 h LYS 451 Cb 1.30 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.97 3ce6 h LYS 451 CO 0.46 0.76 0.22 1.12 -2.27 0.00 0.00 179.45 179.75 3ce6 h HIS 452 N 0.83 0.12 0.04 1.91 2.07 -1.97 -0.39 115.15 117.77 3ce6 h HIS 452 Ca 0.19 0.00 -0.22 0.00 -2.85 0.00 0.00 60.37 57.48 3ce6 h HIS 452 Cb 0.28 -0.04 -0.01 0.00 2.57 0.00 0.00 27.41 30.21 3ce6 h HIS 452 CO 0.02 0.06 -1.03 -0.07 -3.07 0.00 0.00 177.93 173.84 3ce6 h LEU 453 N 0.12 0.24 -0.49 6.12 3.38 -1.76 -1.34 115.31 121.57 3ce6 h LEU 453 Ca 0.15 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3ce6 h LEU 453 Cb 0.43 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3ce6 h LEU 453 CO -0.02 1.11 0.07 0.44 0.09 0.00 0.00 178.44 180.14 3ce6 h ASP 454 N 0.07 0.79 -0.82 -0.43 5.19 -1.35 -2.47 116.42 117.38 3ce6 h ASP 454 Ca -0.06 -0.26 0.04 0.00 -0.62 0.00 0.00 57.03 56.12 3ce6 h ASP 454 Cb 1.72 -0.21 -0.05 0.00 0.18 0.00 0.00 39.33 40.98 3ce6 h ASP 454 CO 0.15 0.85 0.54 -0.33 -3.12 0.00 0.00 179.24 177.33 3ce6 h GLU 455 N 0.69 0.98 -0.31 3.56 5.08 -0.96 -0.64 114.58 122.98 3ce6 h GLU 455 Ca 0.15 -0.06 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 3ce6 h GLU 455 Cb 0.40 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3ce6 h GLU 455 CO 0.01 0.65 -0.37 -0.22 -1.00 0.00 0.00 179.01 178.08 3ce6 h LYS 456 N 1.00 0.70 -0.45 2.33 3.64 -1.06 -0.01 116.57 122.73 3ce6 h LYS 456 Ca 0.33 -0.35 -0.13 0.00 -1.27 0.00 0.00 60.65 59.23 3ce6 h LYS 456 Cb 0.05 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3ce6 h LYS 456 CO -0.10 0.96 -0.24 0.28 -2.27 0.00 0.00 179.45 178.08 3ce6 h VAL 457 N 0.58 1.27 -0.45 2.00 2.07 -0.96 -2.74 116.25 118.03 3ce6 h VAL 457 Ca 0.06 -1.40 0.01 0.00 0.82 0.00 0.00 66.70 66.19 3ce6 h VAL 457 Cb 0.90 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3ce6 h VAL 457 CO 0.08 0.48 0.28 0.00 0.02 0.00 0.00 177.57 178.42 3ce6 h ALA 458 N 0.84 0.57 -0.57 1.67 0.00 -0.79 -2.91 119.26 118.07 3ce6 h ALA 458 Ca 0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ce6 h ALA 458 Cb 0.81 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3ce6 h ALA 458 CO 0.07 -0.02 0.18 -0.09 0.00 0.00 0.00 179.25 179.38 3ce6 h ARG 459 N 0.56 0.85 -0.90 0.00 2.43 -0.73 -0.17 114.38 116.42 3ce6 h ARG 459 Ca 0.17 -0.16 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3ce6 h ARG 459 Cb -0.02 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.34 3ce6 h ARG 459 CO -0.06 0.74 0.58 0.82 -1.51 0.00 0.00 179.97 180.54 3ce6 h ILE 460 N 0.83 1.14 0.06 1.20 2.04 -1.31 -1.53 117.51 119.94 3ce6 h ILE 460 Ca 0.19 -0.39 -0.25 0.00 1.00 0.00 0.00 64.86 65.41 3ce6 h ILE 460 Cb 0.24 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 3ce6 h ILE 460 CO -0.01 0.21 -1.17 0.45 0.00 0.00 0.00 178.15 177.63 3ce6 h HIS 461 N 1.13 0.23 -0.35 1.37 3.86 -1.12 -1.80 115.15 118.48 3ce6 h HIS 461 Ca 0.36 -0.17 0.03 0.00 -1.16 0.00 0.00 60.37 59.43 3ce6 h HIS 461 Cb 0.01 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 3ce6 h HIS 461 CO -0.02 1.14 0.16 0.28 0.86 0.00 0.00 177.93 180.36 3ce6 h VAL 462 N 0.03 0.97 -0.77 2.45 2.07 -0.87 -1.48 116.25 118.65 3ce6 h VAL 462 Ca -0.09 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3ce6 h VAL 462 Cb 1.88 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 3ce6 h VAL 462 CO 0.16 0.06 0.37 -0.08 0.02 0.00 0.00 177.57 178.10 3ce6 h GLU 463 N 0.34 1.11 -0.60 1.57 4.57 -1.15 -0.48 114.58 119.95 3ce6 h GLU 463 Ca 0.15 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 58.19 3ce6 h GLU 463 Cb 0.07 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.43 3ce6 h GLU 463 CO -0.11 0.87 0.40 0.00 -1.18 0.00 0.00 179.01 178.98 3ce6 h ALA 464 N 1.19 1.66 -0.01 2.92 0.00 -0.96 -1.63 119.26 122.43 3ce6 h ALA 464 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3ce6 h ALA 464 Cb 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3ce6 h ALA 464 CO -0.03 0.28 -0.03 1.28 0.00 0.00 0.00 179.25 180.75 3ce6 n LEU 465 N -4.46 0.69 0.00 0.00 4.77 -0.59 -4.94 117.00 112.47 3ce6 n LEU 465 Ca 0.07 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3ce6 n LEU 465 Cb 0.11 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3ce6 n LEU 465 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3ce6 n GLY 466 N 1.14 0.54 3.82 -0.72 0.00 -0.61 -5.04 105.19 104.31 3ce6 n GLY 466 Ca 0.20 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.49 2.14 -0.29 -0.02 0.00 -0.26 -5.01 107.32 101.39 3ce6 s GLY 467 Ca 0.00 0.31 0.03 0.00 0.00 0.00 0.00 44.72 45.06 3ce6 s GLY 467 CO 0.00 0.61 -0.05 0.30 0.00 0.00 0.00 173.10 173.96 3ce6 s HIS 468 N -2.48 3.45 0.42 1.90 3.76 -1.26 -4.57 115.29 116.51 3ce6 s HIS 468 Ca 0.62 -2.59 -0.22 0.00 -0.15 0.00 0.00 55.06 52.71 3ce6 s HIS 468 Cb -0.13 -2.32 -0.10 0.00 1.11 0.00 0.00 32.58 31.15 3ce6 s HIS 468 CO 0.32 -0.91 1.00 -0.51 -0.85 0.00 0.00 174.74 173.79 3ce6 s LEU 469 N 1.03 4.03 0.21 0.89 1.43 -1.26 -5.05 118.68 119.96 3ce6 s LEU 469 Ca -0.01 1.88 -0.24 0.00 -1.03 0.00 0.00 54.13 54.72 3ce6 s LEU 469 Cb -0.20 -4.37 -0.08 0.00 0.03 0.00 0.00 46.19 41.57 3ce6 s LEU 469 CO -0.06 -0.47 0.80 -0.89 0.23 0.00 0.00 176.35 175.96 3ce6 s THR 470 N -1.89 4.38 -0.21 5.49 2.01 -1.26 -5.07 115.64 119.08 3ce6 s THR 470 Ca 0.60 1.64 -0.09 0.00 0.31 0.00 0.00 61.69 64.15 3ce6 s THR 470 Cb -0.16 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 3ce6 s THR 470 CO 0.21 0.38 0.12 -0.75 -0.69 0.00 0.00 174.62 173.89 3ce6 s LYS 471 N -1.50 4.10 0.44 4.92 2.20 -1.26 -5.07 119.74 123.56 3ce6 s LYS 471 Ca 0.40 -0.27 -0.25 0.00 -0.36 0.00 0.00 55.97 55.49 3ce6 s LYS 471 Cb -0.21 -3.40 -0.08 0.00 -1.51 0.00 0.00 37.83 32.63 3ce6 s LYS 471 CO 0.25 0.22 1.34 -0.51 -0.36 0.00 0.00 175.35 176.29 3ce6 s LEU 472 N 0.57 4.13 0.82 5.43 1.43 -1.26 -5.01 118.68 124.79 3ce6 s LEU 472 Ca 0.07 2.73 -0.12 0.00 -1.03 0.00 0.00 54.13 55.77 3ce6 s LEU 472 Cb -0.12 -3.97 0.08 0.00 0.03 0.00 0.00 46.19 42.21 3ce6 s LEU 472 CO 0.00 -1.03 1.12 0.42 0.23 0.00 0.00 176.35 177.09 3ce6 s THR 473 N -1.27 2.72 0.27 5.49 -4.23 -1.26 -4.84 115.64 112.51 3ce6 s THR 473 Ca 0.60 0.23 -0.02 0.00 -1.18 0.00 0.00 61.69 61.33 3ce6 s THR 473 Cb -0.39 -3.03 0.26 0.00 1.34 0.00 0.00 72.50 70.67 3ce6 s THR 473 CO 0.50 -0.30 1.84 0.50 -0.54 0.00 0.00 174.62 176.62 3ce6 h LYS 474 N -1.15 0.97 -0.21 3.99 3.64 -1.99 0.63 116.57 122.45 3ce6 h LYS 474 Ca -0.48 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 58.73 3ce6 h LYS 474 Cb 1.29 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3ce6 h LYS 474 CO 0.61 0.64 -0.32 0.93 -2.27 0.00 0.00 179.45 179.04 3ce6 h GLU 475 N 1.00 0.58 -0.45 1.90 3.07 -1.99 -0.77 114.58 117.92 3ce6 h GLU 475 Ca 0.45 -0.35 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 3ce6 h GLU 475 Cb 0.35 0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 3ce6 h GLU 475 CO -0.23 0.95 0.27 1.96 -1.40 0.00 0.00 179.01 180.57 3ce6 h GLN 476 N 0.26 0.61 -0.99 2.33 4.20 -1.82 -1.42 115.11 118.28 3ce6 h GLN 476 Ca 0.02 -0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.73 3ce6 h GLN 476 Cb 0.90 -0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.49 3ce6 h GLN 476 CO 0.07 0.44 0.65 0.00 -0.67 0.00 0.00 178.83 179.32 3ce6 h ALA 477 N 1.13 1.38 -0.44 3.87 0.00 -0.71 -1.36 119.26 123.12 3ce6 h ALA 477 Ca 0.16 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3ce6 h ALA 477 Cb -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3ce6 h ALA 477 CO -0.03 0.50 -0.07 1.49 0.00 0.00 0.00 179.25 181.14 3ce6 h GLU 478 N 1.22 0.78 -0.54 0.00 4.81 -0.94 -0.72 114.58 119.18 3ce6 h GLU 478 Ca 0.41 -0.24 -0.11 0.00 -0.13 0.00 0.00 59.36 59.28 3ce6 h GLU 478 Cb 0.07 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3ce6 h GLU 478 CO -0.14 0.83 -0.11 -0.92 -0.73 0.00 0.00 179.01 177.94 3ce6 h TYR 479 N 0.71 1.14 0.00 0.92 3.20 -0.63 -2.38 116.97 119.93 3ce6 h TYR 479 Ca 0.13 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.76 3ce6 h TYR 479 Cb 0.54 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3ce6 h TYR 479 CO 0.03 1.05 0.00 1.28 -1.64 0.00 0.00 178.16 178.88 3ce6 n LEU 480 N -4.14 0.85 -3.24 2.82 4.77 -0.57 -4.96 117.00 112.51 3ce6 n LEU 480 Ca 0.02 0.58 -0.19 0.00 -0.03 0.00 0.00 56.01 56.39 3ce6 n LEU 480 Cb 0.40 -0.32 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 3ce6 n LEU 480 CO 0.45 -0.20 0.16 0.61 -1.33 0.00 0.00 177.39 177.09 3ce6 n GLY 481 N 1.26 -0.34 3.38 -0.72 0.00 -0.44 -5.05 105.19 103.28 3ce6 n GLY 481 Ca 0.05 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.31 1.69 0.35 1.61 -7.23 -0.41 -5.04 120.40 108.06 3ce6 s VAL 482 Ca 0.28 -2.17 -0.26 0.00 -1.81 0.00 0.00 61.98 58.02 3ce6 s VAL 482 Cb -0.12 -2.24 -0.09 0.00 0.56 0.00 0.00 36.38 34.49 3ce6 s VAL 482 CO 0.66 -0.45 1.00 -1.81 -0.31 0.00 0.00 175.10 174.19 3ce6 s ASP 483 N -3.38 7.10 0.45 4.85 1.01 -1.26 -4.38 116.67 121.07 3ce6 s ASP 483 Ca 0.26 1.97 0.19 0.00 0.71 0.00 0.00 52.55 55.68 3ce6 s ASP 483 Cb 0.01 -2.59 1.15 0.00 1.01 0.00 0.00 42.92 42.50 3ce6 s ASP 483 CO 0.09 -0.25 1.91 0.58 0.21 0.00 0.00 175.17 177.72 3ce6 h VAL 484 N 2.50 0.73 -0.20 -1.27 2.07 -1.92 -0.98 116.25 117.17 3ce6 h VAL 484 Ca -0.47 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3ce6 h VAL 484 Cb 1.20 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 3ce6 h VAL 484 CO 0.64 0.06 0.00 -0.62 0.02 0.00 0.00 177.57 177.67 3ce6 n GLU 485 N -4.45 1.78 0.00 1.57 -0.58 -1.26 -4.69 120.64 113.00 3ce6 n GLU 485 Ca 0.15 -1.18 0.00 0.00 -0.42 0.00 0.00 57.16 55.72 3ce6 n GLU 485 Cb 0.62 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 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 1.14 2.30 3.78 0.62 0.00 -0.37 -4.95 105.19 107.71 3ce6 n GLY 486 Ca 0.16 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.24 3.13 0.00 1.61 0.04 -1.26 -4.54 135.00 130.74 3ce6 s PRO 487 Ca 0.00 1.40 0.17 0.00 0.04 0.00 0.00 61.00 62.61 3ce6 s PRO 487 Cb 0.00 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 3ce6 s PRO 487 CO 0.00 -0.99 0.89 0.66 0.04 0.00 0.00 177.00 177.60 3ce6 n TYR 488 N -1.95 0.00 -4.21 0.56 4.02 -1.26 -4.49 117.16 109.82 3ce6 n TYR 488 Ca 0.10 0.00 -0.17 0.00 -0.01 0.00 0.00 57.90 57.82 3ce6 n TYR 488 Cb 0.52 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.73 3ce6 n TYR 488 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3ce6 s LYS 489 N -1.96 0.93 0.77 -0.72 -0.14 -1.26 -5.03 119.74 112.33 3ce6 s LYS 489 Ca 0.14 -1.14 -0.12 0.00 -1.36 0.00 0.00 55.97 53.48 3ce6 s LYS 489 Cb 0.14 -0.82 0.06 0.00 -1.68 0.00 0.00 37.83 35.53 3ce6 s LYS 489 CO 0.42 0.16 1.13 -1.25 -0.76 0.00 0.00 175.35 175.05 3ce6 s PRO 490 N -2.43 2.10 0.49 -1.68 0.05 -1.26 -4.91 135.00 127.36 3ce6 s PRO 490 Ca 0.05 1.40 0.15 0.00 0.05 0.00 0.00 61.00 62.65 3ce6 s PRO 490 Cb -0.06 -1.86 1.19 0.00 0.05 0.00 0.00 34.50 33.82 3ce6 s PRO 490 CO 0.02 -1.80 2.10 0.22 0.05 0.00 0.00 177.00 177.60 3ce6 h ASP 491 N -0.88 0.12 -0.46 6.66 3.58 -2.03 -0.27 116.42 123.14 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 1.25 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.28 3ce6 h ASP 491 CO 0.50 0.08 0.00 0.00 -2.88 0.00 0.00 179.24 176.94 3ce6 n HIS 492 N -4.50 0.74 -1.96 0.28 1.44 -1.26 -4.96 115.22 105.00 3ce6 n HIS 492 Ca 0.01 -0.34 -0.39 0.00 -2.01 0.00 0.00 57.72 54.98 3ce6 n HIS 492 Cb 0.16 -0.06 0.01 0.00 0.12 0.00 0.00 29.99 30.22 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 -1.48 2.65 -1.21 -1.40 6.14 -0.11 -4.92 117.35 117.01 3ce6 s TYR 493 Ca 0.32 1.37 0.15 0.00 0.64 0.00 0.00 57.07 59.55 3ce6 s TYR 493 Cb 0.18 -3.74 -0.03 0.00 0.42 0.00 0.00 41.96 38.79 3ce6 s TYR 493 CO 0.20 -2.40 0.76 0.54 0.64 0.00 0.00 175.55 175.29 3ce6 n ARG 494 N -0.17 1.90 -0.33 4.97 1.74 -1.26 -5.03 116.66 118.48 3ce6 n ARG 494 Ca 0.05 -0.61 0.00 0.00 -0.77 0.00 0.00 57.85 56.52 3ce6 n ARG 494 Cb 0.44 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.66 3ce6 n ARG 494 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77