#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smj s ILE 2 N 0.00 3.32 0.21 12.58 1.01 -1.26 -4.71 121.20 132.35 1smj s ILE 2 Ca 0.00 0.10 -0.32 0.00 0.00 0.00 0.00 60.65 60.44 1smj s ILE 2 Cb 0.00 -3.83 -0.14 0.00 0.01 0.00 0.00 42.46 38.49 1smj s ILE 2 CO 0.00 -0.80 1.33 0.29 0.00 0.00 0.00 174.94 175.76 1smj n LYS 3 N 9.12 1.73 -1.79 2.79 4.76 -1.22 -4.98 118.16 128.58 1smj n LYS 3 Ca 0.25 0.62 -0.42 0.00 -2.87 0.00 0.00 58.31 55.89 1smj n LYS 3 Cb 0.52 -2.22 -0.02 0.00 -1.84 0.00 0.00 35.03 31.46 1smj n LYS 3 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1smj s GLU 4 N -0.34 4.14 0.14 1.97 2.12 -1.26 -4.82 118.70 120.66 1smj s GLU 4 Ca 0.70 2.55 -0.30 0.00 0.36 0.00 0.00 54.97 58.28 1smj s GLU 4 Cb -0.72 -3.06 -0.08 0.00 0.26 0.00 0.00 34.13 30.53 1smj s GLU 4 CO 0.50 -0.67 1.27 1.41 -0.54 0.00 0.00 175.26 177.23 1smj s MET 5 N 0.33 4.41 0.22 4.30 -2.45 -1.26 -5.05 119.30 119.81 1smj s MET 5 Ca 0.68 1.94 -0.15 0.00 -1.25 0.00 0.00 55.69 56.91 1smj s MET 5 Cb -0.48 -3.26 -0.08 0.00 1.25 0.00 0.00 34.83 32.27 1smj s MET 5 CO 0.40 -0.25 0.64 -1.25 1.05 0.00 0.00 175.02 175.61 1smj s PRO 6 N 0.41 4.03 0.12 4.11 0.04 -1.26 -4.82 135.00 137.62 1smj s PRO 6 Ca 0.58 0.60 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1smj s PRO 6 Cb -0.34 -2.76 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 1smj s PRO 6 CO 0.34 0.36 0.00 1.14 0.04 0.00 0.00 177.00 178.88 1smj s GLN 7 N -2.34 0.89 1.04 4.56 -2.07 -1.26 -1.53 119.66 118.95 1smj s GLN 7 Ca 0.44 -1.40 -0.17 0.00 -1.82 0.00 0.00 55.36 52.41 1smj s GLN 7 Cb -0.14 0.03 0.27 0.00 -1.09 0.00 0.00 33.01 32.08 1smj s GLN 7 CO 0.20 -0.15 0.66 -0.35 -1.32 0.00 0.00 175.29 174.32 1smj n PRO 8 N -0.08 -3.87 -1.89 9.60 -0.04 -1.26 -4.95 135.00 132.51 1smj n PRO 8 Ca -0.09 -1.09 -0.41 0.00 -0.04 0.00 0.00 63.50 61.87 1smj n PRO 8 Cb 0.62 -1.35 -0.01 0.00 -0.04 0.00 0.00 33.50 32.72 1smj n PRO 8 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1smj s LYS 9 N -4.56 4.18 0.30 0.54 -0.14 -1.26 -4.99 119.74 113.82 1smj s LYS 9 Ca 0.49 2.46 0.07 0.00 -1.36 0.00 0.00 55.97 57.63 1smj s LYS 9 Cb -0.08 -3.04 -0.02 0.00 -1.68 0.00 0.00 37.83 33.01 1smj s LYS 9 CO 0.41 -0.49 0.36 0.95 -0.76 0.00 0.00 175.35 175.81 1smj s THR 10 N -0.46 4.23 -0.44 2.17 -4.23 -1.26 -4.47 115.64 111.18 1smj s THR 10 Ca 0.57 -1.15 0.05 0.00 -1.18 0.00 0.00 61.69 59.98 1smj s THR 10 Cb -0.45 -3.44 0.18 0.00 1.34 0.00 0.00 72.50 70.12 1smj s THR 10 CO 0.52 -0.22 0.45 -0.36 -0.54 0.00 0.00 174.62 174.46 1smj s PHE 11 N -2.16 0.30 0.00 3.99 0.40 -0.04 -4.95 117.98 115.52 1smj s PHE 11 Ca 0.40 -1.81 0.00 0.00 -0.60 0.00 0.00 56.93 54.92 1smj s PHE 11 Cb -0.08 -0.56 0.00 0.00 0.51 0.00 0.00 43.02 42.89 1smj s PHE 11 CO 0.29 -0.96 0.00 0.41 0.70 0.00 0.00 175.22 175.66 1smj n GLY 12 N 2.89 -0.10 0.06 4.36 0.00 -1.26 -0.90 105.19 110.23 1smj n GLY 12 Ca 0.26 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1smj n GLY 12 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1smj n GLU 13 N -0.65 0.01 0.00 1.61 0.28 -1.26 -0.63 120.64 119.99 1smj n GLU 13 Ca 0.00 0.18 0.13 0.00 -0.16 0.00 0.00 57.16 57.31 1smj n GLU 13 Cb 0.00 -1.04 0.40 0.00 1.43 0.00 0.00 31.44 32.23 1smj n GLU 13 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1smj n LEU 14 N -0.85 0.66 0.00 -1.84 7.99 -0.08 -4.67 117.00 118.21 1smj n LEU 14 Ca 0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 56.01 55.94 1smj n LEU 14 Cb 0.33 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.43 1smj n LEU 14 CO 0.00 0.13 0.00 0.29 -1.51 0.00 0.00 177.39 176.30 1smj n LYS 15 N -1.05 0.00 -0.21 3.23 4.76 0.20 -1.61 118.16 123.48 1smj n LYS 15 Ca 0.10 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.64 1smj n LYS 15 Cb 0.33 0.00 0.21 0.00 -1.84 0.00 0.00 35.03 33.73 1smj n LYS 15 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1smj n ASN 16 N 3.44 3.30 -0.29 4.39 5.03 0.34 -0.86 115.26 130.61 1smj n ASN 16 Ca 0.00 -1.94 -0.02 0.00 0.87 0.00 0.00 54.58 53.49 1smj n ASN 16 Cb 0.00 -0.28 0.04 0.00 -1.02 0.00 0.00 39.78 38.53 1smj n ASN 16 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1smj h LEU 17 N 3.62 -1.16 -1.51 3.41 5.85 -1.27 -1.88 115.31 122.36 1smj h LEU 17 Ca 0.00 0.26 0.22 0.00 0.84 0.00 0.00 57.88 59.20 1smj h LEU 17 Cb 0.87 0.63 -0.07 0.00 0.37 0.00 0.00 40.66 42.46 1smj h LEU 17 CO 0.00 -0.29 0.62 -0.65 -0.34 0.00 0.00 178.44 177.77 1smj h PRO 18 N -0.06 0.37 -0.03 5.25 0.10 -1.82 0.10 132.00 135.91 1smj h PRO 18 Ca 0.32 -0.02 0.01 0.00 0.10 0.00 0.00 66.00 66.40 1smj h PRO 18 Cb 0.58 -0.08 -0.00 0.00 0.10 0.00 0.00 31.00 31.60 1smj h PRO 18 CO -0.84 0.25 0.34 -0.07 0.10 0.00 0.00 178.00 177.78 1smj h LEU 19 N 0.38 0.00 -3.07 2.35 3.38 -1.66 -2.71 115.31 113.99 1smj h LEU 19 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1smj h LEU 19 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1smj h LEU 19 CO -0.19 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 178.23 1smj n LEU 20 N -2.96 2.76 -3.65 1.67 7.94 0.02 -4.80 117.00 117.98 1smj n LEU 20 Ca -0.01 -2.92 -0.41 0.00 -1.11 0.00 0.00 56.01 51.55 1smj n LEU 20 Cb 0.40 -0.41 -0.01 0.00 0.53 0.00 0.00 43.42 43.93 1smj n LEU 20 CO 0.15 0.68 2.70 -3.20 -1.11 0.00 0.00 177.39 176.60 1smj n ASN 21 N -1.01 5.34 -3.09 1.96 5.15 -1.02 -4.84 115.26 117.74 1smj n ASN 21 Ca 0.16 -2.85 -0.14 0.00 -0.60 0.00 0.00 54.58 51.14 1smj n ASN 21 Cb 0.66 -1.59 -0.03 0.00 -0.53 0.00 0.00 39.78 38.30 1smj n ASN 21 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1smj s THR 22 N 2.24 0.00 -1.71 -0.44 -1.32 -1.26 -4.99 115.64 108.16 1smj s THR 22 Ca 0.51 -1.51 0.29 0.00 -1.21 0.00 0.00 61.69 59.76 1smj s THR 22 Cb 0.14 -2.73 0.66 0.00 -1.51 0.00 0.00 72.50 69.07 1smj s THR 22 CO -0.07 0.00 2.03 0.47 -2.21 0.00 0.00 174.62 174.85 1smj n ASP 23 N -1.55 0.00 -3.19 8.08 9.92 -1.26 -4.33 116.55 124.22 1smj n ASP 23 Ca -0.00 -0.51 -0.20 0.00 -0.53 0.00 0.00 54.79 53.55 1smj n ASP 23 Cb 0.61 -0.15 -0.04 0.00 -0.64 0.00 0.00 41.12 40.90 1smj n ASP 23 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1smj n LYS 24 N -1.15 0.92 0.23 -1.24 5.02 -1.26 -3.73 118.16 116.96 1smj n LYS 24 Ca 0.18 -3.35 0.09 0.00 -2.02 0.00 0.00 58.31 53.21 1smj n LYS 24 Cb 0.16 -1.58 0.57 0.00 -0.02 0.00 0.00 35.03 34.17 1smj n LYS 24 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1smj h PRO 25 N 3.28 0.00 0.00 1.97 0.13 -1.89 0.15 132.00 135.64 1smj h PRO 25 Ca 0.09 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.20 1smj h PRO 25 Cb 0.94 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1smj h PRO 25 CO 0.49 0.21 -0.21 0.28 -0.23 0.00 0.00 178.00 178.54 1smj h VAL 26 N 0.00 0.66 -0.73 1.56 2.07 -1.96 0.12 116.25 117.96 1smj h VAL 26 Ca -0.00 -1.54 0.22 0.00 0.82 0.00 0.00 66.70 66.19 1smj h VAL 26 Cb 0.50 1.29 -0.13 0.00 -1.52 0.00 0.00 31.29 31.43 1smj h VAL 26 CO 0.03 0.22 0.07 0.00 0.02 0.00 0.00 177.57 177.91 1smj n GLN 27 N -4.67 -0.06 -0.10 1.57 6.02 -1.21 0.05 117.38 118.98 1smj n GLN 27 Ca -0.08 1.08 -0.14 0.00 -0.01 0.00 0.00 57.00 57.85 1smj n GLN 27 Cb 0.26 -1.74 -0.03 0.00 1.02 0.00 0.00 30.24 29.75 1smj n GLN 27 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1smj h ALA 28 N 1.45 0.52 -0.04 -1.58 0.00 -0.28 0.04 119.26 119.37 1smj h ALA 28 Ca 0.47 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1smj h ALA 28 Cb 1.02 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1smj h ALA 28 CO -0.67 0.66 0.03 -0.07 0.00 0.00 0.00 179.25 179.20 1smj h LEU 29 N 0.71 0.04 0.00 0.00 3.38 0.23 -0.91 115.31 118.76 1smj h LEU 29 Ca 0.04 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1smj h LEU 29 Cb 1.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1smj h LEU 29 CO 0.10 0.03 0.00 0.23 0.09 0.00 0.00 178.44 178.89 1smj n MET 30 N -4.53 0.00 -0.25 1.13 2.81 0.43 0.33 117.12 117.03 1smj n MET 30 Ca -0.02 0.46 0.21 0.00 -1.81 0.00 0.00 57.70 56.54 1smj n MET 30 Cb 0.10 -1.42 0.40 0.00 -0.71 0.00 0.00 33.22 31.58 1smj n MET 30 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1smj n LYS 31 N -1.88 -0.05 -0.06 0.03 4.81 -0.43 0.17 118.16 120.75 1smj n LYS 31 Ca 0.00 1.06 -0.15 0.00 -0.87 0.00 0.00 58.31 58.35 1smj n LYS 31 Cb 0.00 -1.86 -0.06 0.00 0.02 0.00 0.00 35.03 33.13 1smj n LYS 31 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1smj h ILE 32 N 0.00 1.30 0.28 3.15 2.04 -0.31 -1.93 117.51 122.04 1smj h ILE 32 Ca 0.60 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1smj h ILE 32 Cb 1.54 1.82 -0.02 0.00 -0.74 0.00 0.00 36.82 39.42 1smj h ILE 32 CO -0.61 0.54 -0.32 0.00 0.00 0.00 0.00 178.15 177.77 1smj h ALA 33 N 0.61 -0.65 -0.22 1.87 0.00 0.41 -0.92 119.26 120.37 1smj h ALA 33 Ca -0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1smj h ALA 33 Cb 1.11 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1smj h ALA 33 CO 0.11 -0.90 -0.17 -0.44 0.00 0.00 0.00 179.25 177.84 1smj h ASP 34 N -0.64 -0.61 0.12 0.00 3.32 -0.30 1.09 116.42 119.40 1smj h ASP 34 Ca -0.01 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1smj h ASP 34 Cb 0.60 0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1smj h ASP 34 CO -0.08 -0.09 0.00 -0.08 -1.72 0.00 0.00 179.24 177.27 1smj h GLU 35 N -0.05 0.00 0.00 3.56 4.81 -1.26 -3.24 114.58 118.40 1smj h GLU 35 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1smj h GLU 35 Cb 0.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1smj h GLU 35 CO -0.24 0.00 -0.60 1.28 -0.73 0.00 0.00 179.01 178.72 1smj n LEU 36 N -2.47 0.51 0.00 1.64 4.77 0.32 -5.09 117.00 116.68 1smj n LEU 36 Ca -0.01 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1smj n LEU 36 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1smj n LEU 36 CO 0.14 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 1smj n GLY 37 N 1.30 -0.03 0.15 -0.72 0.00 0.20 -4.48 105.19 101.62 1smj n GLY 37 Ca 0.02 -1.54 0.13 0.00 0.00 0.00 0.00 46.02 44.63 1smj n GLY 37 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1smj h GLU 38 N 0.00 0.00 -1.58 1.61 4.11 -1.93 -3.42 114.58 113.37 1smj h GLU 38 Ca 0.00 0.00 0.11 0.00 0.07 0.00 0.00 59.36 59.54 1smj h GLU 38 Cb 0.00 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.02 1smj h GLU 38 CO 0.00 0.00 0.15 -1.50 0.07 0.00 0.00 179.01 177.73 1smj s ILE 39 N -3.34 -0.36 0.10 -1.06 2.07 -1.25 -1.04 121.20 116.32 1smj s ILE 39 Ca 0.05 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.34 1smj s ILE 39 Cb 0.10 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.65 1smj s ILE 39 CO 0.44 0.00 -0.15 0.72 -1.91 0.00 0.00 174.94 174.05 1smj s PHE 40 N 2.06 1.38 0.42 3.50 -0.71 -0.51 -4.35 117.98 119.77 1smj s PHE 40 Ca -0.07 -0.51 -0.25 0.00 -1.04 0.00 0.00 56.93 55.07 1smj s PHE 40 Cb -0.06 -0.74 -0.08 0.00 -1.21 0.00 0.00 43.02 40.93 1smj s PHE 40 CO -0.18 0.12 1.18 0.21 -1.34 0.00 0.00 175.22 175.21 1smj s LYS 41 N -2.30 3.96 -0.10 1.99 2.20 -0.58 0.91 119.74 125.81 1smj s LYS 41 Ca 0.05 1.84 -0.01 0.00 -0.36 0.00 0.00 55.97 57.49 1smj s LYS 41 Cb -0.07 -2.60 0.03 0.00 -1.51 0.00 0.00 37.83 33.68 1smj s LYS 41 CO 0.03 -0.40 -0.06 0.12 -0.36 0.00 0.00 175.35 174.68 1smj s PHE 42 N -1.44 1.30 -0.30 4.03 2.19 0.39 -4.45 117.98 119.70 1smj s PHE 42 Ca 0.59 -0.62 -0.06 0.00 0.33 0.00 0.00 56.93 57.17 1smj s PHE 42 Cb -0.30 -1.14 0.02 0.00 -1.31 0.00 0.00 43.02 40.29 1smj s PHE 42 CO 0.38 -0.47 0.08 -2.00 1.83 0.00 0.00 175.22 175.03 1smj s GLU 43 N 1.77 2.92 0.62 10.12 2.12 -1.26 -2.08 118.70 132.90 1smj s GLU 43 Ca 0.05 -0.97 -0.03 0.00 0.36 0.00 0.00 54.97 54.38 1smj s GLU 43 Cb -0.12 -3.37 0.04 0.00 0.26 0.00 0.00 34.13 30.94 1smj s GLU 43 CO -0.08 -0.51 0.90 0.00 -0.54 0.00 0.00 175.26 175.03 1smj s ALA 44 N 1.45 3.47 -0.25 6.30 0.00 -1.21 0.12 121.76 131.65 1smj s ALA 44 Ca 0.01 -1.05 -0.35 0.00 0.00 0.00 0.00 51.96 50.57 1smj s ALA 44 Cb -0.18 -2.39 -0.12 0.00 0.00 0.00 0.00 23.12 20.44 1smj s ALA 44 CO 0.02 -0.99 2.03 -0.35 0.00 0.00 0.00 175.76 176.47 1smj n PRO 45 N -2.63 1.49 0.00 0.00 -0.04 -1.26 -4.31 135.00 128.25 1smj n PRO 45 Ca 0.07 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1smj n PRO 45 Cb 0.60 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1smj n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1smj n GLY 46 N 5.47 1.14 3.19 0.55 0.00 -1.26 -4.99 105.19 109.28 1smj n GLY 46 Ca 0.32 -0.57 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1smj n GLY 46 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1smj n ARG 47 N 0.00 -0.80 -3.65 1.61 1.85 -1.26 -5.07 116.66 109.34 1smj n ARG 47 Ca 0.00 -0.22 -0.00 0.00 -1.00 0.00 0.00 57.85 56.63 1smj n ARG 47 Cb 0.00 -1.44 -0.07 0.00 -1.05 0.00 0.00 32.46 29.90 1smj n ARG 47 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 1smj s VAL 48 N -2.16 0.00 0.19 8.89 0.11 -1.26 -3.33 120.40 122.84 1smj s VAL 48 Ca 0.49 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.30 1smj s VAL 48 Cb -0.07 -1.00 0.05 0.00 -1.53 0.00 0.00 36.38 33.83 1smj s VAL 48 CO 0.68 0.00 0.87 0.28 -3.33 0.00 0.00 175.10 173.60 1smj s THR 49 N 0.60 0.00 -0.11 5.04 -1.32 -0.89 -4.67 115.64 114.28 1smj s THR 49 Ca -0.01 -0.74 -0.00 0.00 -1.21 0.00 0.00 61.69 59.73 1smj s THR 49 Cb -0.04 -1.94 0.02 0.00 -1.51 0.00 0.00 72.50 69.04 1smj s THR 49 CO -0.12 0.00 -0.08 -0.13 -2.21 0.00 0.00 174.62 172.07 1smj s ARG 50 N -3.51 1.58 -0.20 7.08 0.52 -1.24 -0.46 118.95 122.73 1smj s ARG 50 Ca 0.11 -0.28 -0.13 0.00 -0.52 0.00 0.00 55.73 54.91 1smj s ARG 50 Cb -0.03 -1.61 -0.05 0.00 0.52 0.00 0.00 34.95 33.79 1smj s ARG 50 CO 0.03 -0.25 0.28 0.71 0.02 0.00 0.00 175.30 176.09 1smj s TYR 51 N 1.63 3.39 -0.19 -0.53 1.51 0.26 -0.76 117.35 122.66 1smj s TYR 51 Ca 0.04 0.48 0.01 0.00 -1.01 0.00 0.00 57.07 56.59 1smj s TYR 51 Cb -0.13 -2.37 0.03 0.00 -0.11 0.00 0.00 41.96 39.39 1smj s TYR 51 CO -0.08 0.11 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.82 1smj s LEU 52 N 0.90 2.32 0.00 -1.29 1.02 -0.60 -1.42 118.68 119.61 1smj s LEU 52 Ca 0.14 -0.82 0.00 0.00 0.02 0.00 0.00 54.13 53.48 1smj s LEU 52 Cb -0.13 -1.37 0.00 0.00 0.02 0.00 0.00 46.19 44.70 1smj s LEU 52 CO 0.05 -0.08 0.00 -1.20 0.02 0.00 0.00 176.35 175.13 1smj n SER 53 N 4.63 3.85 -4.73 2.29 7.64 -0.21 -2.02 113.62 125.07 1smj n SER 53 Ca -0.17 -0.01 -0.41 0.00 1.01 0.00 0.00 58.87 59.29 1smj n SER 53 Cb 0.48 0.79 -0.04 0.00 -1.01 0.00 0.00 64.21 64.42 1smj n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1smj s SER 54 N -1.56 7.39 0.32 6.43 1.04 -1.26 -0.97 113.70 125.09 1smj s SER 54 Ca 0.00 1.67 0.06 0.00 0.48 0.00 0.00 55.95 58.16 1smj s SER 54 Cb 0.00 -2.55 0.88 0.00 0.10 0.00 0.00 66.02 64.45 1smj s SER 54 CO 0.00 -0.10 1.54 1.67 0.98 0.00 0.00 173.24 177.33 1smj n GLN 55 N 3.10 -0.07 -0.22 4.02 0.00 -1.26 -0.30 117.38 122.65 1smj n GLN 55 Ca 0.02 1.44 0.02 0.00 -0.00 0.00 0.00 57.00 58.48 1smj n GLN 55 Cb 0.50 -2.35 0.13 0.00 0.00 0.00 0.00 30.24 28.52 1smj n GLN 55 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.06 177.13 1smj h ARG 56 N 0.00 0.31 0.10 3.69 0.11 -1.95 -1.34 114.38 115.30 1smj h ARG 56 Ca 0.65 -0.02 -0.31 0.00 0.10 0.00 0.00 59.98 60.40 1smj h ARG 56 Cb 1.44 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 32.44 1smj h ARG 56 CO -0.88 0.20 -1.58 -0.07 0.10 0.00 0.00 179.97 177.74 1smj h LEU 57 N 0.32 0.35 0.21 0.08 -0.00 -1.80 -3.28 115.31 111.19 1smj h LEU 57 Ca 0.35 -0.52 0.00 0.00 -0.00 0.00 0.00 57.88 57.71 1smj h LEU 57 Cb 0.52 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.03 1smj h LEU 57 CO -0.40 1.44 -0.44 0.40 -0.00 0.00 0.00 178.44 179.44 1smj h ILE 58 N 0.06 0.00 -0.83 1.22 1.08 0.03 -1.83 117.51 117.24 1smj h ILE 58 Ca -0.26 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.30 1smj h ILE 58 Cb 2.01 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 35.65 1smj h ILE 58 CO 0.15 0.00 -0.43 2.29 -0.69 0.00 0.00 178.15 179.46 1smj n LYS 59 N -4.99 -0.31 0.23 2.37 2.85 -0.57 0.22 118.16 117.97 1smj n LYS 59 Ca -0.08 1.27 0.15 0.00 -1.05 0.00 0.00 58.31 58.60 1smj n LYS 59 Cb 0.36 -1.87 0.65 0.00 -0.65 0.00 0.00 35.03 33.52 1smj n LYS 59 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1smj h GLU 60 N 0.00 0.00 0.01 -1.58 5.08 -1.53 -3.03 114.58 113.53 1smj h GLU 60 Ca 0.19 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.18 1smj h GLU 60 Cb 0.40 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1smj h GLU 60 CO -0.80 0.00 -2.03 0.00 -1.00 0.00 0.00 179.01 175.18 1smj n ALA 61 N -1.98 1.04 0.00 3.43 0.00 0.60 -3.94 120.51 119.66 1smj n ALA 61 Ca 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.63 1smj n ALA 61 Cb 0.62 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1smj n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smj s ASP 63 N 2.24 3.83 0.34 0.00 2.15 -1.23 -4.87 116.67 119.14 1smj s ASP 63 Ca 0.00 -1.68 0.22 0.00 0.43 0.00 0.00 52.55 51.52 1smj s ASP 63 Cb 0.00 -0.74 1.20 0.00 -0.30 0.00 0.00 42.92 43.07 1smj s ASP 63 CO 0.00 -0.40 1.67 -0.08 -0.17 0.00 0.00 175.17 176.18 1smj h GLU 64 N 7.98 0.00 -0.34 4.34 4.81 -1.82 0.44 114.58 129.99 1smj h GLU 64 Ca -0.13 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.96 1smj h GLU 64 Cb 1.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1smj h GLU 64 CO 0.45 0.00 -0.36 0.77 -0.73 0.00 0.00 179.01 179.14 1smj h SER 65 N 0.00 0.82 0.00 1.04 0.02 -1.96 -3.38 113.55 110.10 1smj h SER 65 Ca 0.00 -0.36 -0.37 0.00 -0.84 0.00 0.00 61.79 60.22 1smj h SER 65 Cb 0.06 -0.23 -0.07 0.00 0.14 0.00 0.00 62.40 62.30 1smj h SER 65 CO 0.00 1.10 -2.39 0.54 -1.14 0.00 0.00 176.83 174.93 1smj n ARG 66 N -4.06 0.70 -4.14 3.45 1.74 0.14 -4.87 116.66 109.63 1smj n ARG 66 Ca -0.02 0.08 -0.18 0.00 -0.77 0.00 0.00 57.85 56.96 1smj n ARG 66 Cb 0.51 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 30.29 1smj n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1smj s PHE 67 N -2.49 0.62 0.43 -1.55 0.08 -0.55 0.17 117.98 114.68 1smj s PHE 67 Ca -0.23 -0.14 -0.01 0.00 0.12 0.00 0.00 56.93 56.67 1smj s PHE 67 Cb 0.07 -0.53 -0.02 0.00 -0.57 0.00 0.00 43.02 41.97 1smj s PHE 67 CO 0.68 -0.13 0.66 0.34 -0.10 0.00 0.00 175.22 176.67 1smj s ASP 68 N 0.64 6.06 0.11 1.36 2.15 -1.16 -4.00 116.67 121.83 1smj s ASP 68 Ca -0.08 0.48 -0.35 0.00 0.43 0.00 0.00 52.55 53.04 1smj s ASP 68 Cb -0.11 -1.85 -0.15 0.00 -0.30 0.00 0.00 42.92 40.52 1smj s ASP 68 CO -0.00 -0.56 1.53 1.17 -0.17 0.00 0.00 175.17 177.14 1smj n LYS 69 N -2.04 1.84 -4.10 4.34 4.81 -1.26 -0.86 118.16 120.89 1smj n LYS 69 Ca -0.01 0.66 -0.29 0.00 -0.87 0.00 0.00 58.31 57.81 1smj n LYS 69 Cb 0.57 -2.40 -0.07 0.00 0.02 0.00 0.00 35.03 33.15 1smj n LYS 69 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1smj s ASN 70 N 1.06 5.31 -0.59 3.14 2.47 0.37 -4.69 114.94 122.01 1smj s ASN 70 Ca 0.82 -0.14 -0.22 0.00 0.42 0.00 0.00 52.86 53.74 1smj s ASN 70 Cb -0.77 -1.34 0.07 0.00 -1.45 0.00 0.00 41.25 37.76 1smj s ASN 70 CO 0.42 0.13 0.85 -0.76 -3.72 0.00 0.00 177.10 174.02 1smj s LEU 71 N -2.67 4.58 0.85 3.21 1.02 -1.26 -3.93 118.68 120.49 1smj s LEU 71 Ca 0.29 -0.89 -0.11 0.00 0.02 0.00 0.00 54.13 53.44 1smj s LEU 71 Cb -0.11 -2.51 0.10 0.00 0.02 0.00 0.00 46.19 43.70 1smj s LEU 71 CO 0.21 -1.24 1.09 -0.94 0.02 0.00 0.00 176.35 175.50 1smj s SER 72 N 3.28 3.90 0.40 2.29 1.04 -1.26 -4.47 113.70 118.87 1smj s SER 72 Ca 0.21 1.42 0.09 0.00 0.48 0.00 0.00 55.95 58.15 1smj s SER 72 Cb -0.17 -2.12 0.87 0.00 0.10 0.00 0.00 66.02 64.70 1smj s SER 72 CO 0.12 -2.36 1.99 -0.61 0.98 0.00 0.00 173.24 173.36 1smj h GLN 73 N -1.36 0.56 -0.40 4.02 5.75 -1.99 0.12 115.11 121.81 1smj h GLN 73 Ca -0.48 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 57.97 1smj h GLN 73 Cb 1.28 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.68 1smj h GLN 73 CO 0.56 0.37 0.19 0.00 -2.65 0.00 0.00 178.83 177.31 1smj h ALA 74 N 1.68 0.52 -0.22 3.38 0.00 -1.91 -2.19 119.26 120.51 1smj h ALA 74 Ca 0.25 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1smj h ALA 74 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1smj h ALA 74 CO -0.07 0.08 -0.22 -0.07 0.00 0.00 0.00 179.25 178.97 1smj h LEU 75 N 0.51 0.39 -0.37 0.00 3.38 -1.50 0.76 115.31 118.47 1smj h LEU 75 Ca 0.14 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.04 1smj h LEU 75 Cb 0.12 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1smj h LEU 75 CO -0.02 0.63 0.10 0.11 0.09 0.00 0.00 178.44 179.34 1smj h LYS 76 N 0.36 0.22 0.00 1.13 1.57 -0.73 -0.94 116.57 118.17 1smj h LYS 76 Ca 0.06 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 1smj h LYS 76 Cb 0.59 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1smj h LYS 76 CO 0.04 0.15 -0.23 0.74 -0.57 0.00 0.00 179.45 179.58 1smj h PHE 77 N 0.23 0.00 0.00 -1.35 0.04 -0.60 -2.59 116.94 112.66 1smj h PHE 77 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1smj h PHE 77 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1smj h PHE 77 CO -0.17 0.23 0.00 0.28 -0.60 0.00 0.00 178.31 178.05 1smj h VAL 78 N 0.00 0.00 -0.75 -0.55 2.07 0.23 -1.91 116.25 115.34 1smj h VAL 78 Ca -0.00 -0.59 0.17 0.00 0.82 0.00 0.00 66.70 67.10 1smj h VAL 78 Cb 0.41 1.57 -0.11 0.00 -1.52 0.00 0.00 31.29 31.64 1smj h VAL 78 CO 0.03 0.00 0.19 -0.09 0.02 0.00 0.00 177.57 177.72 1smj h ARG 79 N 0.00 0.26 -1.21 1.57 2.43 -0.80 -0.72 114.38 115.91 1smj h ARG 79 Ca 0.00 -0.02 0.35 0.00 -0.81 0.00 0.00 59.98 59.50 1smj h ARG 79 Cb 0.77 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 1smj h ARG 79 CO 0.00 0.17 1.14 -0.44 -1.51 0.00 0.00 179.97 179.33 1smj h ASP 80 N 0.27 0.00 0.00 -3.80 5.19 -1.46 0.25 116.42 116.88 1smj h ASP 80 Ca 0.43 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.84 1smj h ASP 80 Cb 0.74 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1smj h ASP 80 CO -0.52 0.00 -0.77 2.22 -3.12 0.00 0.00 179.24 177.05 1smj n PHE 81 N -3.57 0.00 0.61 4.55 -1.74 -0.59 -4.68 117.46 112.04 1smj n PHE 81 Ca 0.27 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 57.27 1smj n PHE 81 Cb 1.51 0.00 -0.03 0.00 1.52 0.00 0.00 39.48 42.47 1smj n PHE 81 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 1smj n ALA 82 N -1.18 3.66 -0.78 1.98 0.00 -0.38 -4.89 120.51 118.92 1smj n ALA 82 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1smj n ALA 82 Cb 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1smj n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smj n GLY 83 N 1.39 1.34 1.66 0.00 0.00 0.79 -2.56 105.19 107.81 1smj n GLY 83 Ca 0.02 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.53 1smj n GLY 83 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1smj n ASP 84 N -2.46 4.80 -3.30 1.61 5.75 -1.26 -4.32 116.55 117.36 1smj n ASP 84 Ca 0.00 -2.79 -0.04 0.00 -0.01 0.00 0.00 54.79 51.94 1smj n ASP 84 Cb 0.00 -0.66 0.00 0.00 -1.03 0.00 0.00 41.12 39.43 1smj n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1smj n GLY 85 N 0.43 -1.10 0.35 6.12 0.00 -1.06 -4.13 105.19 105.80 1smj n GLY 85 Ca 0.24 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.27 1smj n GLY 85 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1smj h LEU 86 N -1.63 0.86 0.02 0.99 5.85 -1.89 -1.58 115.31 117.94 1smj h LEU 86 Ca -0.04 -0.01 -0.24 0.00 0.84 0.00 0.00 57.88 58.42 1smj h LEU 86 Cb 0.16 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1smj h LEU 86 CO 0.02 0.60 -1.22 0.15 -0.34 0.00 0.00 178.44 177.66 1smj h PHE 87 N 1.01 0.09 -0.00 1.25 3.04 -1.94 -3.37 116.94 117.02 1smj h PHE 87 Ca 0.31 -0.07 0.00 0.00 3.98 0.00 0.00 57.97 62.19 1smj h PHE 87 Cb -0.01 -0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.50 1smj h PHE 87 CO -0.00 1.06 -0.64 0.25 -2.02 0.00 0.00 178.31 176.96 1smj n THR 88 N -3.32 0.00 -3.47 4.41 -2.24 -1.15 -5.00 114.28 103.51 1smj n THR 88 Ca -0.06 -0.18 -0.30 0.00 -2.27 0.00 0.00 64.05 61.24 1smj n THR 88 Cb 0.98 1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 70.19 1smj n THR 88 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1smj s SER 89 N -2.32 6.51 0.89 3.42 1.04 -0.60 -4.84 113.70 117.81 1smj s SER 89 Ca 0.07 0.73 -0.12 0.00 0.48 0.00 0.00 55.95 57.11 1smj s SER 89 Cb 0.11 -2.15 0.13 0.00 0.10 0.00 0.00 66.02 64.21 1smj s SER 89 CO 0.58 -0.08 1.09 0.26 0.98 0.00 0.00 173.24 176.07 1smj s TRP 90 N -1.87 2.38 -0.02 5.02 0.52 -1.26 -4.93 118.94 118.78 1smj s TRP 90 Ca 0.44 1.20 -0.25 0.00 0.02 0.00 0.00 56.10 57.51 1smj s TRP 90 Cb -0.11 -3.17 -0.19 0.00 -1.15 0.00 0.00 33.47 28.84 1smj s TRP 90 CO 0.26 -2.35 1.22 1.15 0.02 0.00 0.00 176.95 177.25 1smj h THR 91 N -1.51 1.19 -1.08 2.01 2.02 -1.97 -3.26 112.91 110.31 1smj h THR 91 Ca -0.50 -1.02 -0.53 0.00 0.77 0.00 0.00 66.41 65.13 1smj h THR 91 Cb 1.29 1.85 -0.17 0.00 -1.74 0.00 0.00 68.15 69.37 1smj h THR 91 CO 0.56 0.25 0.61 1.41 0.37 0.00 0.00 175.52 178.72 1smj n HIS 92 N -4.92 1.70 -4.38 3.16 8.25 -1.26 -4.53 115.22 113.25 1smj n HIS 92 Ca -0.08 -2.03 -0.21 0.00 -0.26 0.00 0.00 57.72 55.13 1smj n HIS 92 Cb 0.25 -1.43 -0.16 0.00 1.12 0.00 0.00 29.99 29.77 1smj n HIS 92 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1smj s GLU 93 N -1.65 1.06 0.18 -0.41 2.12 -1.23 -5.03 118.70 113.73 1smj s GLU 93 Ca 0.58 -0.28 -0.17 0.00 0.36 0.00 0.00 54.97 55.47 1smj s GLU 93 Cb 0.36 -0.97 0.14 0.00 0.26 0.00 0.00 34.13 33.93 1smj s GLU 93 CO -0.21 0.06 1.28 0.36 -0.54 0.00 0.00 175.26 176.20 1smj n LYS 94 N 3.54 -0.23 0.24 4.30 2.85 -1.26 0.23 118.16 127.84 1smj n LYS 94 Ca -0.21 1.26 0.15 0.00 -1.05 0.00 0.00 58.31 58.47 1smj n LYS 94 Cb 0.53 -1.87 0.52 0.00 -0.65 0.00 0.00 35.03 33.56 1smj n LYS 94 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 1smj h ASN 95 N 0.00 0.00 0.00 -5.58 4.21 -1.94 -3.17 115.58 109.10 1smj h ASN 95 Ca 0.25 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.76 1smj h ASN 95 Cb 0.46 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.66 1smj h ASN 95 CO -0.81 0.00 0.00 1.87 -1.29 0.00 0.00 177.43 177.20 1smj n TRP 96 N -2.98 0.00 -0.21 1.19 -0.00 0.14 0.11 117.44 115.68 1smj n TRP 96 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.49 1smj n TRP 96 Cb 0.36 -0.18 0.03 0.00 -0.00 0.00 0.00 31.31 31.52 1smj n TRP 96 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 177.69 177.47 1smj h LYS 97 N 0.00 -0.10 -0.46 5.87 1.63 -1.73 0.61 116.57 122.39 1smj h LYS 97 Ca 0.00 0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 1smj h LYS 97 Cb 0.00 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 31.59 1smj h LYS 97 CO 0.00 -0.07 -0.38 -0.22 -3.45 0.00 0.00 179.45 175.34 1smj h LYS 98 N -0.11 -0.13 0.00 1.90 3.64 -1.51 -0.44 116.57 119.92 1smj h LYS 98 Ca 0.26 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1smj h LYS 98 Cb 0.53 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1smj h LYS 98 CO -0.68 -0.08 0.00 0.00 -2.27 0.00 0.00 179.45 176.42 1smj h ALA 99 N -0.25 1.00 0.65 5.00 0.00 0.23 -1.92 119.26 123.96 1smj h ALA 99 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1smj h ALA 99 Cb 0.33 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.13 1smj h ALA 99 CO -0.50 0.00 -0.31 1.25 0.00 0.00 0.00 179.25 179.69 1smj h HIS 100 N 0.00 -0.80 -0.07 0.00 -0.00 0.16 -2.80 115.15 111.64 1smj h HIS 100 Ca 0.00 -0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.39 1smj h HIS 100 Cb 0.60 0.27 -0.06 0.00 -0.00 0.00 0.00 27.41 28.22 1smj h HIS 100 CO 0.00 -0.50 -0.32 -0.91 -0.00 0.00 0.00 177.93 176.20 1smj h ASN 101 N -1.15 -0.97 -1.03 3.26 2.35 -1.05 0.54 115.58 117.52 1smj h ASN 101 Ca -0.09 0.14 0.28 0.00 -0.55 0.00 0.00 56.30 56.07 1smj h ASN 101 Cb 0.66 0.40 -0.12 0.00 0.05 0.00 0.00 38.32 39.32 1smj h ASN 101 CO 0.15 -0.37 0.62 0.40 -1.65 0.00 0.00 177.43 176.58 1smj h ILE 102 N -0.43 0.47 0.00 2.81 2.04 -1.43 -3.08 117.51 117.90 1smj h ILE 102 Ca 0.08 -0.16 -0.32 0.00 1.00 0.00 0.00 64.86 65.46 1smj h ILE 102 Cb 0.55 -0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 1smj h ILE 102 CO -0.31 0.08 -2.17 0.18 0.00 0.00 0.00 178.15 175.93 1smj n LEU 103 N -4.84 0.23 -0.33 1.44 7.99 -0.88 -4.53 117.00 116.09 1smj n LEU 103 Ca 0.28 0.11 0.20 0.00 -0.01 0.00 0.00 56.01 56.59 1smj n LEU 103 Cb 0.86 0.38 0.39 0.00 -0.11 0.00 0.00 43.42 44.93 1smj n LEU 103 CO 0.18 0.42 0.87 -0.11 -1.51 0.00 0.00 177.39 177.24 1smj n LEU 104 N -2.79 0.04 -0.21 2.23 7.94 0.13 0.88 117.00 125.23 1smj n LEU 104 Ca -0.26 1.66 0.31 0.00 -1.11 0.00 0.00 56.01 56.60 1smj n LEU 104 Cb 1.08 -0.67 0.67 0.00 0.53 0.00 0.00 43.42 45.03 1smj n LEU 104 CO 0.44 -1.74 1.28 -0.65 -1.11 0.00 0.00 177.39 175.61 1smj h PRO 105 N 0.00 0.00 0.00 1.96 0.10 -1.80 -1.88 132.00 130.38 1smj h PRO 105 Ca 0.68 0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.78 1smj h PRO 105 Cb 1.56 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.66 1smj h PRO 105 CO -0.87 0.00 0.00 0.43 0.10 0.00 0.00 178.00 177.66 1smj n SER 106 N -3.74 0.00 -2.68 -2.05 7.64 0.26 -3.43 113.62 109.61 1smj n SER 106 Ca 0.21 -0.80 -0.08 0.00 1.01 0.00 0.00 58.87 59.21 1smj n SER 106 Cb 1.23 -0.04 0.03 0.00 -1.01 0.00 0.00 64.21 64.42 1smj n SER 106 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1smj n PHE 107 N -1.04 1.34 -3.22 1.43 3.72 -0.71 -4.73 117.46 114.27 1smj n PHE 107 Ca 0.21 -2.63 -0.19 0.00 -0.05 0.00 0.00 57.45 54.79 1smj n PHE 107 Cb 0.12 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 1smj n PHE 107 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1smj s SER 108 N -3.33 5.81 0.26 4.37 1.04 -1.22 -4.98 113.70 115.64 1smj s SER 108 Ca 0.29 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 1smj s SER 108 Cb 0.42 -1.01 0.39 0.00 0.10 0.00 0.00 66.02 65.92 1smj s SER 108 CO 0.01 -0.61 1.88 -0.61 0.98 0.00 0.00 173.24 174.89 1smj h GLN 109 N 0.72 1.15 -0.01 4.02 5.75 -1.97 -0.79 115.11 123.98 1smj h GLN 109 Ca -0.43 -0.07 -0.08 0.00 -0.15 0.00 0.00 58.65 57.91 1smj h GLN 109 Cb 1.27 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 1smj h GLN 109 CO 0.50 0.76 -0.39 1.96 -2.65 0.00 0.00 178.83 179.01 1smj h GLN 110 N 1.18 0.03 0.39 1.69 7.50 -1.96 0.02 115.11 123.95 1smj h GLN 110 Ca 0.42 -0.01 -0.02 0.00 0.50 0.00 0.00 58.65 59.54 1smj h GLN 110 Cb 0.14 -0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.67 1smj h GLN 110 CO -0.17 0.41 -0.19 0.00 -1.50 0.00 0.00 178.83 177.39 1smj h ALA 111 N 1.59 -0.52 -0.91 3.87 0.00 -1.52 0.09 119.26 121.86 1smj h ALA 111 Ca -0.00 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.85 1smj h ALA 111 Cb 0.70 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.56 1smj h ALA 111 CO 0.05 -0.68 -0.46 -1.33 0.00 0.00 0.00 179.25 176.83 1smj n MET 112 N -5.23 -0.32 -0.26 0.00 2.81 -0.42 0.18 117.12 113.88 1smj n MET 112 Ca -0.10 1.39 0.12 0.00 -1.81 0.00 0.00 57.70 57.29 1smj n MET 112 Cb 0.27 -2.05 0.39 0.00 -0.71 0.00 0.00 33.22 31.12 1smj n MET 112 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1smj h LYS 113 N 0.00 0.66 -0.31 0.03 1.57 -0.78 -0.62 116.57 117.11 1smj h LYS 113 Ca 0.22 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.82 1smj h LYS 113 Cb 0.44 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1smj h LYS 113 CO -0.88 0.43 -0.33 0.78 -0.57 0.00 0.00 179.45 178.88 1smj h GLY 114 N 0.68 0.85 0.94 3.86 0.00 0.39 -3.18 103.07 106.61 1smj h GLY 114 Ca 0.44 -0.88 -0.10 0.00 0.00 0.00 0.00 47.33 46.79 1smj h GLY 114 CO -0.19 0.80 -0.18 -0.97 0.00 0.00 0.00 176.54 176.00 1smj h TYR 115 N 0.55 0.79 -0.93 5.60 0.05 -0.02 -3.32 116.97 119.69 1smj h TYR 115 Ca 0.05 -0.20 0.35 0.00 0.05 0.00 0.00 58.73 58.98 1smj h TYR 115 Cb 0.92 -0.18 -0.13 0.00 1.01 0.00 0.00 36.73 38.35 1smj h TYR 115 CO 0.07 0.91 0.55 1.58 -1.05 0.00 0.00 178.16 180.22 1smj n HIS 116 N -4.34 0.76 0.04 4.88 -0.00 -0.28 0.14 115.22 116.42 1smj n HIS 116 Ca -0.03 0.77 -0.14 0.00 0.46 0.00 0.00 57.72 58.78 1smj n HIS 116 Cb 0.40 -1.18 -0.08 0.00 -0.12 0.00 0.00 29.99 29.01 1smj n HIS 116 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1smj h ALA 117 N 1.44 -0.78 0.07 1.57 0.00 -1.74 -2.95 119.26 116.87 1smj h ALA 117 Ca 0.68 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.41 1smj h ALA 117 Cb 1.99 0.86 0.01 0.00 0.00 0.00 0.00 17.79 20.66 1smj h ALA 117 CO -0.50 -1.03 -0.57 0.52 0.00 0.00 0.00 179.25 177.67 1smj h MET 118 N -0.60 0.26 -0.92 0.00 2.07 0.10 -2.89 114.93 112.95 1smj h MET 118 Ca 0.04 -0.38 0.33 0.00 -2.07 0.00 0.00 59.70 57.62 1smj h MET 118 Cb 0.68 0.13 -0.11 0.00 -1.87 0.00 0.00 31.60 30.44 1smj h MET 118 CO -0.36 1.14 0.57 -1.33 1.07 0.00 0.00 176.91 177.99 1smj n MET 119 N -4.27 -0.03 0.02 1.72 2.81 -1.05 -0.39 117.12 115.93 1smj n MET 119 Ca -0.12 0.92 -0.08 0.00 -1.81 0.00 0.00 57.70 56.61 1smj n MET 119 Cb 0.70 -1.77 -0.13 0.00 -0.71 0.00 0.00 33.22 31.31 1smj n MET 119 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1smj h VAL 120 N 0.00 1.27 0.00 2.03 2.07 -1.32 -1.05 116.25 119.25 1smj h VAL 120 Ca 0.62 -3.06 -0.02 0.00 0.82 0.00 0.00 66.70 65.07 1smj h VAL 120 Cb 1.92 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 34.32 1smj h VAL 120 CO -0.39 0.73 -0.07 -0.78 0.02 0.00 0.00 177.57 177.07 1smj h ASP 121 N 0.00 0.00 0.00 0.57 1.82 -0.62 -1.85 116.42 116.35 1smj h ASP 121 Ca -0.15 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.45 1smj h ASP 121 Cb 1.90 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 41.90 1smj h ASP 121 CO 0.10 0.07 -0.42 0.40 -1.61 0.00 0.00 179.24 177.79 1smj h ILE 122 N 0.00 0.36 -0.54 2.25 1.08 -1.09 -3.22 117.51 116.35 1smj h ILE 122 Ca -0.00 -1.35 0.16 0.00 -0.39 0.00 0.00 64.86 63.28 1smj h ILE 122 Cb 0.39 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 34.88 1smj h ILE 122 CO 0.01 0.12 0.98 0.00 -0.69 0.00 0.00 178.15 178.57 1smj h ALA 123 N -0.80 2.42 0.00 1.87 0.00 -1.20 0.03 119.26 121.59 1smj h ALA 123 Ca -0.06 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1smj h ALA 123 Cb 0.54 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1smj h ALA 123 CO -0.04 -1.26 -0.92 0.28 0.00 0.00 0.00 179.25 177.31 1smj h VAL 124 N 0.00 1.14 -0.94 0.00 2.07 -1.44 -1.49 116.25 115.58 1smj h VAL 124 Ca 0.26 -2.21 0.22 0.00 0.82 0.00 0.00 66.70 65.78 1smj h VAL 124 Cb 2.22 2.51 -0.18 0.00 -1.52 0.00 0.00 31.29 34.32 1smj h VAL 124 CO -0.00 0.39 -0.12 1.56 0.02 0.00 0.00 177.57 179.42 1smj h GLN 125 N -1.00 0.01 0.00 1.57 4.20 -1.05 0.37 115.11 119.21 1smj h GLN 125 Ca -0.26 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1smj h GLN 125 Cb 1.22 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1smj h GLN 125 CO -0.15 0.01 0.00 -0.11 -0.67 0.00 0.00 178.83 177.90 1smj n LEU 126 N -5.53 0.00 -0.10 1.46 0.00 -0.48 0.05 117.00 112.39 1smj n LEU 126 Ca 0.18 0.33 0.07 0.00 0.00 0.00 0.00 56.01 56.58 1smj n LEU 126 Cb 0.58 0.00 0.13 0.00 0.00 0.00 0.00 43.42 44.13 1smj n LEU 126 CO -0.07 0.00 0.28 0.52 0.00 0.00 0.00 177.39 178.12 1smj n VAL 127 N -0.39 -0.13 0.07 1.96 0.31 -0.56 0.70 118.33 120.30 1smj n VAL 127 Ca 0.00 0.64 -0.15 0.00 -0.01 0.00 0.00 64.34 64.81 1smj n VAL 127 Cb 0.00 -0.98 -0.14 0.00 -0.91 0.00 0.00 33.84 31.81 1smj n VAL 127 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1smj h GLN 128 N 0.00 0.23 -0.60 5.55 4.20 -0.76 0.14 115.11 123.87 1smj h GLN 128 Ca 0.22 -0.39 0.11 0.00 0.06 0.00 0.00 58.65 58.65 1smj h GLN 128 Cb 0.52 0.15 -0.12 0.00 0.30 0.00 0.00 27.48 28.33 1smj h GLN 128 CO -0.26 1.12 -0.27 -0.22 -0.67 0.00 0.00 178.83 178.53 1smj h LYS 129 N 0.06 -0.11 0.56 1.46 3.64 0.42 0.41 116.57 123.01 1smj h LYS 129 Ca -0.19 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1smj h LYS 129 Cb 1.98 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.82 1smj h LYS 129 CO 0.17 -0.07 -0.33 -1.49 -2.27 0.00 0.00 179.45 175.46 1smj h TRP 130 N -0.11 -0.88 -0.74 1.91 4.06 -0.28 -2.32 115.95 117.59 1smj h TRP 130 Ca 0.26 -0.01 0.21 0.00 2.06 0.00 0.00 58.89 61.41 1smj h TRP 130 Cb 0.53 0.31 -0.03 0.00 -1.00 0.00 0.00 29.16 28.97 1smj h TRP 130 CO -0.59 -0.51 0.64 0.93 -3.56 0.00 0.00 178.44 175.35 1smj h GLU 131 N -0.84 0.00 -0.25 0.49 4.39 -0.66 -0.61 114.58 117.11 1smj h GLU 131 Ca -0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1smj h GLU 131 Cb 0.68 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1smj h GLU 131 CO 0.07 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.46 1smj n ARG 132 N -3.92 1.69 -2.90 2.33 1.74 0.12 -4.83 116.66 110.89 1smj n ARG 132 Ca 0.15 -1.06 -0.42 0.00 -0.77 0.00 0.00 57.85 55.75 1smj n ARG 132 Cb 0.90 -1.29 -0.04 0.00 -1.02 0.00 0.00 32.46 31.01 1smj n ARG 132 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1smj s LEU 133 N -1.21 4.08 1.36 0.55 1.02 -0.24 -5.07 118.68 119.17 1smj s LEU 133 Ca 0.25 1.02 -0.20 0.00 0.02 0.00 0.00 54.13 55.23 1smj s LEU 133 Cb 0.13 -3.17 0.35 0.00 0.02 0.00 0.00 46.19 43.51 1smj s LEU 133 CO 0.18 -0.51 0.95 0.54 0.02 0.00 0.00 176.35 177.54 1smj s ASN 134 N 1.34 -0.57 0.04 2.29 4.22 -1.26 -4.92 114.94 116.08 1smj s ASN 134 Ca 0.35 1.07 -0.31 0.00 -2.14 0.00 0.00 52.86 51.83 1smj s ASN 134 Cb -0.15 -1.59 -0.18 0.00 1.28 0.00 0.00 41.25 40.61 1smj s ASN 134 CO 0.07 -5.09 1.38 0.00 -2.04 0.00 0.00 177.10 171.42 1smj h ALA 135 N -3.23 -0.94 -0.99 3.54 0.00 -2.00 -2.80 119.26 112.83 1smj h ALA 135 Ca -0.50 -0.22 0.25 0.00 0.00 0.00 0.00 54.91 54.44 1smj h ALA 135 Cb 1.34 0.37 -0.19 0.00 0.00 0.00 0.00 17.79 19.31 1smj h ALA 135 CO 0.35 -0.95 -0.07 -0.40 0.00 0.00 0.00 179.25 178.18 1smj n ASP 136 N -5.44 -0.20 -4.74 0.00 5.75 -1.26 -4.66 116.55 105.99 1smj n ASP 136 Ca -0.13 1.69 -0.39 0.00 -0.01 0.00 0.00 54.79 55.95 1smj n ASP 136 Cb 0.39 -0.58 0.03 0.00 -1.03 0.00 0.00 41.12 39.93 1smj n ASP 136 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1smj n GLU 137 N -5.53 1.93 -4.37 0.11 1.02 -1.06 -5.06 120.64 107.68 1smj n GLU 137 Ca 0.21 0.70 -0.19 0.00 -0.02 0.00 0.00 57.16 57.86 1smj n GLU 137 Cb 0.67 -2.57 -0.10 0.00 -0.02 0.00 0.00 31.44 29.42 1smj n GLU 137 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1smj s HIS 138 N -1.24 1.71 0.11 -0.32 -3.43 -1.26 -4.86 115.29 105.99 1smj s HIS 138 Ca 0.66 -1.02 0.09 0.00 -0.80 0.00 0.00 55.06 54.00 1smj s HIS 138 Cb -0.44 -1.05 -0.04 0.00 -1.43 0.00 0.00 32.58 29.62 1smj s HIS 138 CO 0.53 -0.12 -0.21 0.96 -2.00 0.00 0.00 174.74 173.91 1smj s ILE 139 N -3.48 2.66 -0.66 -5.38 -4.36 0.82 -5.00 121.20 105.81 1smj s ILE 139 Ca 0.35 -1.52 -0.16 0.00 -0.26 0.00 0.00 60.65 59.06 1smj s ILE 139 Cb 0.08 -2.19 0.16 0.00 1.25 0.00 0.00 42.46 41.75 1smj s ILE 139 CO 0.13 0.14 0.63 -1.61 0.24 0.00 0.00 174.94 174.47 1smj s GLU 140 N -1.99 3.22 0.00 0.37 2.02 -1.26 -2.76 118.70 118.30 1smj s GLU 140 Ca 0.16 -1.94 0.00 0.00 0.02 0.00 0.00 54.97 53.22 1smj s GLU 140 Cb -0.10 -4.36 0.00 0.00 0.10 0.00 0.00 34.13 29.77 1smj s GLU 140 CO 0.08 -1.35 0.15 0.28 0.02 0.00 0.00 175.26 174.45 1smj n VAL 141 N 4.84 0.00 0.03 2.63 0.31 -0.80 -1.83 118.33 123.51 1smj n VAL 141 Ca -0.03 0.51 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1smj n VAL 141 Cb 0.43 -0.87 0.31 0.00 -0.91 0.00 0.00 33.84 32.80 1smj n VAL 141 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1smj h PRO 142 N 0.00 0.46 -0.89 5.55 0.13 -1.86 0.18 132.00 135.57 1smj h PRO 142 Ca 0.00 -0.10 0.11 0.00 -0.87 0.00 0.00 66.00 65.14 1smj h PRO 142 Cb 0.00 -0.06 -0.13 0.00 0.13 0.00 0.00 31.00 30.94 1smj h PRO 142 CO 0.00 0.52 -0.49 0.93 -0.23 0.00 0.00 178.00 178.73 1smj h GLU 143 N 0.43 -0.06 -0.31 0.86 3.07 -1.90 -2.29 114.58 114.38 1smj h GLU 143 Ca 0.09 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1smj h GLU 143 Cb 0.36 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 1smj h GLU 143 CO 0.02 -0.04 0.20 -0.44 -1.40 0.00 0.00 179.01 177.35 1smj h ASP 144 N -0.07 0.35 -0.29 1.42 3.32 0.12 -2.51 116.42 118.77 1smj h ASP 144 Ca 0.22 -0.01 0.07 0.00 0.02 0.00 0.00 57.03 57.33 1smj h ASP 144 Cb 0.51 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.91 1smj h ASP 144 CO -0.89 0.26 -0.16 0.24 -1.72 0.00 0.00 179.24 176.97 1smj h MET 145 N 0.42 -0.12 -0.79 3.56 2.86 -0.99 0.41 114.93 120.28 1smj h MET 145 Ca 0.12 0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 1smj h MET 145 Cb -0.04 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.60 1smj h MET 145 CO -0.03 -0.08 0.52 1.15 1.06 0.00 0.00 176.91 179.53 1smj h THR 146 N -0.13 1.12 0.07 2.22 2.02 -1.52 3.96 112.91 120.65 1smj h THR 146 Ca 0.15 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 1smj h THR 146 Cb 0.36 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1smj h THR 146 CO -0.37 0.18 -0.03 -0.09 0.37 0.00 0.00 175.52 175.57 1smj h ARG 147 N 0.96 -0.09 0.90 6.66 2.43 -0.71 0.43 114.38 124.97 1smj h ARG 147 Ca 0.32 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.45 1smj h ARG 147 Cb 0.06 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1smj h ARG 147 CO -0.09 0.02 -0.43 1.25 -1.51 0.00 0.00 179.97 179.21 1smj h LEU 148 N -0.19 -1.03 -0.78 3.80 5.85 0.30 -2.35 115.31 120.91 1smj h LEU 148 Ca -0.01 0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.89 1smj h LEU 148 Cb 0.16 0.27 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 1smj h LEU 148 CO 0.02 -0.70 0.34 0.74 -0.34 0.00 0.00 178.44 178.49 1smj h THR 149 N -1.28 0.66 -0.10 1.05 2.02 0.76 0.44 112.91 116.46 1smj h THR 149 Ca -0.12 -0.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1smj h THR 149 Cb 0.93 0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1smj h THR 149 CO 0.20 0.09 0.06 0.25 0.37 0.00 0.00 175.52 176.49 1smj h LEU 150 N 0.48 0.12 0.35 2.58 5.85 -0.12 -2.31 115.31 122.26 1smj h LEU 150 Ca 0.43 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 59.09 1smj h LEU 150 Cb 0.66 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.66 1smj h LEU 150 CO -0.40 0.13 -0.17 0.44 -0.34 0.00 0.00 178.44 178.10 1smj h ASP 151 N 0.10 -0.40 -0.09 1.25 5.19 -0.74 -2.15 116.42 119.58 1smj h ASP 151 Ca 0.04 -0.04 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 1smj h ASP 151 Cb 0.03 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 1smj h ASP 151 CO -0.01 -0.22 -0.05 0.41 -3.12 0.00 0.00 179.24 176.25 1smj n THR 152 N -5.26 -0.06 0.19 0.35 -1.04 0.05 0.02 114.28 108.54 1smj n THR 152 Ca -0.10 1.44 0.07 0.00 -2.04 0.00 0.00 64.05 63.41 1smj n THR 152 Cb 0.23 -1.90 0.35 0.00 -1.82 0.00 0.00 70.33 67.19 1smj n THR 152 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1smj h ILE 153 N 0.00 0.00 0.00 12.58 6.09 -1.36 -1.11 117.51 133.72 1smj h ILE 153 Ca 0.01 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.50 1smj h ILE 153 Cb 0.03 0.29 0.00 0.00 0.47 0.00 0.00 36.82 37.61 1smj h ILE 153 CO -0.08 0.00 0.00 0.61 -3.07 0.00 0.00 178.15 175.61 1smj n GLY 154 N -1.27 -1.57 0.00 8.18 0.00 0.10 -2.63 105.19 108.00 1smj n GLY 154 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1smj n GLY 154 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1smj n LEU 155 N -1.59 0.00 -0.32 0.99 7.94 0.58 0.54 117.00 125.14 1smj n LEU 155 Ca 0.00 0.65 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 1smj n LEU 155 Cb 0.00 -0.15 0.05 0.00 0.53 0.00 0.00 43.42 43.86 1smj n LEU 155 CO 0.00 -0.15 0.50 0.00 -1.11 0.00 0.00 177.39 176.64 1smj n GLY 157 N -1.42 -1.27 0.00 0.00 0.00 -1.08 -4.53 105.19 96.89 1smj n GLY 157 Ca 0.09 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1smj n GLY 157 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1smj n PHE 158 N -2.48 0.00 -3.38 1.61 3.72 -0.19 -1.51 117.46 115.23 1smj n PHE 158 Ca -0.01 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.21 1smj n PHE 158 Cb 0.55 0.00 0.08 0.00 -0.94 0.00 0.00 39.48 39.17 1smj n PHE 158 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1smj n ASN 159 N 0.00 -3.51 -4.09 4.37 5.15 0.19 -4.91 115.26 112.46 1smj n ASN 159 Ca 0.00 -0.54 -0.20 0.00 -0.60 0.00 0.00 54.58 53.24 1smj n ASN 159 Cb 0.01 -4.72 -0.14 0.00 -0.53 0.00 0.00 39.78 34.40 1smj n ASN 159 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1smj s TYR 160 N -3.32 1.08 -0.43 1.20 5.04 -0.48 -4.83 117.35 115.62 1smj s TYR 160 Ca 0.20 -0.27 -0.14 0.00 -2.44 0.00 0.00 57.07 54.42 1smj s TYR 160 Cb -0.09 -0.67 0.05 0.00 0.35 0.00 0.00 41.96 41.60 1smj s TYR 160 CO 0.67 0.00 0.31 1.03 -1.34 0.00 0.00 175.55 176.22 1smj s ARG 161 N -0.70 2.91 0.11 4.97 0.52 -1.26 -0.31 118.95 125.18 1smj s ARG 161 Ca 0.02 -1.20 -0.09 0.00 -0.52 0.00 0.00 55.73 53.95 1smj s ARG 161 Cb -0.06 -3.97 -0.15 0.00 0.52 0.00 0.00 34.95 31.29 1smj s ARG 161 CO 0.00 -0.86 1.27 0.74 0.02 0.00 0.00 175.30 176.47 1smj h PHE 162 N 8.62 0.84 -2.68 -0.53 0.04 -1.91 -3.48 116.94 117.84 1smj h PHE 162 Ca -0.27 -0.44 -0.18 0.00 2.80 0.00 0.00 57.97 59.88 1smj h PHE 162 Cb 1.11 -0.10 0.04 0.00 2.20 0.00 0.00 35.95 39.20 1smj h PHE 162 CO 0.59 1.27 -0.28 0.09 -0.60 0.00 0.00 178.31 179.38 1smj n ASN 163 N -3.82 -3.74 -0.08 2.17 4.13 -1.26 -4.94 115.26 107.72 1smj n ASN 163 Ca -0.08 -0.18 -0.07 0.00 1.68 0.00 0.00 54.58 55.93 1smj n ASN 163 Cb 0.84 -2.48 -0.00 0.00 -1.54 0.00 0.00 39.78 36.60 1smj n ASN 163 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1smj h SER 164 N -0.90 -0.49 0.00 6.41 0.02 -1.92 0.41 113.55 117.08 1smj h SER 164 Ca -0.24 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1smj h SER 164 Cb 1.16 0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.98 1smj h SER 164 CO 0.25 -0.18 0.00 0.49 -1.14 0.00 0.00 176.83 176.25 1smj n PHE 165 N -5.32 0.00 0.24 3.45 3.72 -1.26 -0.54 117.46 117.74 1smj n PHE 165 Ca 0.00 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.51 1smj n PHE 165 Cb 0.24 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.97 1smj n PHE 165 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1smj n TYR 166 N -0.93 0.47 -4.14 1.38 4.02 0.14 -4.91 117.16 113.19 1smj n TYR 166 Ca 0.04 -0.26 -0.15 0.00 -0.01 0.00 0.00 57.90 57.51 1smj n TYR 166 Cb 0.02 -0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.19 1smj n TYR 166 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 176.86 174.87 1smj s ARG 167 N -1.36 0.42 -0.08 -0.72 1.70 0.29 -5.06 118.95 114.14 1smj s ARG 167 Ca 0.35 -0.25 -0.18 0.00 -0.47 0.00 0.00 55.73 55.18 1smj s ARG 167 Cb 0.20 -0.38 -0.29 0.00 -0.57 0.00 0.00 34.95 33.92 1smj s ARG 167 CO 0.28 0.10 0.70 0.38 -1.08 0.00 0.00 175.30 175.68 1smj h ASP 168 N 5.85 0.43 -3.90 -2.89 2.03 -1.91 -3.46 116.42 112.56 1smj h ASP 168 Ca -0.29 -0.89 -0.49 0.00 -0.73 0.00 0.00 57.03 54.63 1smj h ASP 168 Cb 1.19 -0.14 0.02 0.00 -0.83 0.00 0.00 39.33 39.58 1smj h ASP 168 CO 0.49 1.53 0.44 -1.10 -1.03 0.00 0.00 179.24 179.58 1smj s GLN 169 N -2.46 4.32 1.00 4.15 -1.52 -1.26 -5.02 119.66 118.87 1smj s GLN 169 Ca -0.17 1.65 -0.13 0.00 -1.95 0.00 0.00 55.36 54.76 1smj s GLN 169 Cb 0.03 -2.79 0.10 0.00 -0.22 0.00 0.00 33.01 30.14 1smj s GLN 169 CO 0.80 -0.04 0.56 -2.30 -0.25 0.00 0.00 175.29 174.06 1smj n PRO 170 N 0.39 -0.84 -2.63 2.91 -0.02 -1.26 -4.90 135.00 128.65 1smj n PRO 170 Ca 0.03 -0.20 -0.37 0.00 -2.02 0.00 0.00 63.50 60.93 1smj n PRO 170 Cb 0.48 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 1smj n PRO 170 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1smj s HIS 171 N -2.42 3.49 0.20 6.00 2.46 -1.26 -4.85 115.29 118.92 1smj s HIS 171 Ca 0.60 1.71 -0.21 0.00 0.47 0.00 0.00 55.06 57.63 1smj s HIS 171 Cb -0.20 -3.07 0.14 0.00 -0.13 0.00 0.00 32.58 29.32 1smj s HIS 171 CO 0.65 -0.27 1.57 -1.35 -2.47 0.00 0.00 174.74 172.86 1smj h PRO 172 N 2.99 -0.10 -1.05 2.88 0.11 -1.99 -0.84 132.00 134.00 1smj h PRO 172 Ca -0.47 0.01 0.32 0.00 0.11 0.00 0.00 66.00 65.96 1smj h PRO 172 Cb 1.21 0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 1smj h PRO 172 CO 0.64 -0.07 0.63 0.35 -0.21 0.00 0.00 178.00 179.34 1smj h PHE 173 N -0.10 0.85 0.32 0.65 3.57 -1.92 -1.86 116.94 118.45 1smj h PHE 173 Ca 0.26 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.78 1smj h PHE 173 Cb 0.56 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1smj h PHE 173 CO -0.77 -0.11 -0.15 0.82 -2.23 0.00 0.00 178.31 175.87 1smj h ILE 174 N 0.34 0.00 -0.38 1.41 1.08 -1.57 -0.51 117.51 117.88 1smj h ILE 174 Ca 0.71 -0.50 0.05 0.00 -0.39 0.00 0.00 64.86 64.73 1smj h ILE 174 Cb 1.70 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 35.39 1smj h ILE 174 CO -0.51 0.00 -0.18 0.41 -0.69 0.00 0.00 178.15 177.18 1smj n THR 175 N -4.54 -0.22 0.09 -0.27 -1.04 -0.63 -0.48 114.28 107.20 1smj n THR 175 Ca -0.05 0.89 -0.14 0.00 -2.04 0.00 0.00 64.05 62.71 1smj n THR 175 Cb 0.17 -1.15 -0.12 0.00 -1.82 0.00 0.00 70.33 67.41 1smj n THR 175 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1smj h SER 176 N 0.00 0.38 -0.48 8.00 0.02 -1.36 -2.20 113.55 117.91 1smj h SER 176 Ca 0.10 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 1smj h SER 176 Cb 0.20 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 1smj h SER 176 CO -0.37 1.28 0.23 -0.03 -1.14 0.00 0.00 176.83 176.80 1smj h MET 177 N 0.08 0.69 -0.32 3.45 -1.53 0.06 0.13 114.93 117.50 1smj h MET 177 Ca -0.11 -0.10 -0.08 0.00 -3.44 0.00 0.00 59.70 55.97 1smj h MET 177 Cb 1.87 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 32.78 1smj h MET 177 CO 0.19 0.58 -0.15 -0.39 0.14 0.00 0.00 176.91 177.28 1smj h VAL 178 N 0.63 1.25 -0.21 -5.77 -1.51 -0.76 0.15 116.25 110.02 1smj h VAL 178 Ca 0.17 -1.11 -0.03 0.00 -1.23 0.00 0.00 66.70 64.49 1smj h VAL 178 Cb 0.11 1.17 -0.01 0.00 -2.13 0.00 0.00 31.29 30.43 1smj h VAL 178 CO -0.02 0.36 -0.02 0.03 -1.23 0.00 0.00 177.57 176.69 1smj h ARG 179 N 0.51 0.31 -0.05 5.19 3.08 -0.57 0.29 114.38 123.15 1smj h ARG 179 Ca 0.09 -0.05 -0.19 0.00 0.07 0.00 0.00 59.98 59.89 1smj h ARG 179 Cb 0.56 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.57 1smj h ARG 179 CO 0.04 0.36 -0.72 0.00 -1.07 0.00 0.00 179.97 178.57 1smj h ALA 180 N 1.68 0.15 0.00 0.04 0.00 -0.16 0.76 119.26 121.73 1smj h ALA 180 Ca 0.07 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1smj h ALA 180 Cb 0.24 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1smj h ALA 180 CO 0.01 0.49 -0.20 -0.07 0.00 0.00 0.00 179.25 179.48 1smj h LEU 181 N 0.17 0.00 0.11 0.00 3.38 -0.40 0.31 115.31 118.88 1smj h LEU 181 Ca -0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.74 1smj h LEU 181 Cb 1.39 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.16 1smj h LEU 181 CO 0.15 0.20 -0.69 -0.78 0.09 0.00 0.00 178.44 177.41 1smj h ASP 182 N 0.00 0.40 -0.52 -0.43 3.58 0.11 -2.55 116.42 117.02 1smj h ASP 182 Ca -0.00 -0.95 0.06 0.00 0.42 0.00 0.00 57.03 56.56 1smj h ASP 182 Cb 0.44 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 1smj h ASP 182 CO 0.03 1.33 0.35 -0.08 -2.88 0.00 0.00 179.24 177.98 1smj h GLU 183 N -0.45 0.43 -0.47 0.28 4.57 0.61 -2.19 114.58 117.37 1smj h GLU 183 Ca -0.12 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 57.95 1smj h GLU 183 Cb 1.53 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 30.01 1smj h GLU 183 CO 0.13 0.28 -0.06 0.00 -1.18 0.00 0.00 179.01 178.18 1smj h ALA 184 N 1.72 1.03 0.04 2.92 0.00 0.01 -2.15 119.26 122.82 1smj h ALA 184 Ca 0.23 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.58 1smj h ALA 184 Cb 0.33 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 17.95 1smj h ALA 184 CO -0.06 0.59 -1.07 1.98 0.00 0.00 0.00 179.25 180.69 1smj h MET 185 N 0.74 0.58 -0.03 0.00 1.85 -1.16 -2.83 114.93 114.08 1smj h MET 185 Ca 0.13 -0.67 0.00 0.00 -0.61 0.00 0.00 59.70 58.56 1smj h MET 185 Cb 0.53 0.20 -0.00 0.00 0.43 0.00 0.00 31.60 32.76 1smj h MET 185 CO 0.03 1.27 0.01 -0.91 -0.40 0.00 0.00 176.91 176.91 1smj h ASN 186 N 0.30 0.01 -0.27 1.39 2.35 -1.30 -2.39 115.58 115.67 1smj h ASN 186 Ca -0.13 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.70 1smj h ASN 186 Cb 1.73 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.09 1smj h ASN 186 CO 0.20 0.01 0.73 0.11 -1.65 0.00 0.00 177.43 176.83 1smj h LYS 187 N 0.02 0.00 0.00 0.81 1.57 -1.13 0.56 116.57 118.41 1smj h LYS 187 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1smj h LYS 187 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1smj h LYS 187 CO -0.01 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.15 1smj n LEU 188 N -2.98 0.64 -0.09 2.94 4.77 -0.90 -2.81 117.00 118.56 1smj n LEU 188 Ca 0.05 0.67 0.04 0.00 -0.03 0.00 0.00 56.01 56.74 1smj n LEU 188 Cb 0.84 -0.59 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 1smj n LEU 188 CO 0.14 -0.58 0.08 0.00 -1.33 0.00 0.00 177.39 175.70 1smj n GLN 189 N -2.21 3.38 -3.36 3.23 6.02 0.20 -4.96 117.38 119.67 1smj n GLN 189 Ca 0.02 -0.26 -0.41 0.00 -0.01 0.00 0.00 57.00 56.35 1smj n GLN 189 Cb 0.21 -0.94 -0.09 0.00 1.02 0.00 0.00 30.24 30.44 1smj n GLN 189 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1smj s ARG 190 N -1.48 3.62 0.20 -1.09 0.52 -1.13 -4.93 118.95 114.66 1smj s ARG 190 Ca 0.05 -0.32 -0.22 0.00 -0.52 0.00 0.00 55.73 54.72 1smj s ARG 190 Cb 0.06 -3.79 0.13 0.00 0.52 0.00 0.00 34.95 31.87 1smj s ARG 190 CO 0.27 -0.53 1.56 0.00 0.02 0.00 0.00 175.30 176.61 1smj h ALA 191 N 8.44 -0.10 -2.87 2.13 0.00 -1.93 -3.38 119.26 121.55 1smj h ALA 191 Ca -0.29 0.20 -0.61 0.00 0.00 0.00 0.00 54.91 54.20 1smj h ALA 191 Cb 1.14 1.05 -0.41 0.00 0.00 0.00 0.00 17.79 19.57 1smj h ALA 191 CO 0.71 -0.74 -0.70 -0.80 0.00 0.00 0.00 179.25 177.72 1smj s ASN 192 N -5.32 3.77 0.00 0.00 0.01 -1.26 -4.97 114.94 107.16 1smj s ASN 192 Ca -0.14 -3.56 0.00 0.00 -0.71 0.00 0.00 52.86 48.45 1smj s ASN 192 Cb 0.17 -1.26 0.00 0.00 0.41 0.00 0.00 41.25 40.57 1smj s ASN 192 CO 0.68 -0.12 0.39 -2.65 -1.51 0.00 0.00 177.10 173.89 1smj n PRO 193 N 2.31 0.00 -0.01 -0.60 -0.02 -1.26 -1.61 135.00 133.81 1smj n PRO 193 Ca 0.22 0.07 0.06 0.00 -2.02 0.00 0.00 63.50 61.83 1smj n PRO 193 Cb 0.39 -1.69 -0.10 0.00 -0.02 0.00 0.00 33.50 32.09 1smj n PRO 193 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1smj n ASP 194 N -0.89 2.02 -4.24 2.55 8.00 -1.26 -4.90 116.55 117.83 1smj n ASP 194 Ca 0.00 -0.06 -0.59 0.00 0.71 0.00 0.00 54.79 54.86 1smj n ASP 194 Cb 0.19 1.53 -0.08 0.00 -0.02 0.00 0.00 41.12 42.74 1smj n ASP 194 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1smj n ASP 195 N -1.89 0.66 0.06 -2.24 -0.08 -0.63 -4.63 116.55 107.80 1smj n ASP 195 Ca -0.02 1.07 0.04 0.00 -1.51 0.00 0.00 54.79 54.37 1smj n ASP 195 Cb 0.32 -0.82 0.19 0.00 2.34 0.00 0.00 41.12 43.16 1smj n ASP 195 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1smj n PRO 196 N 2.74 0.05 0.09 -0.67 -0.02 -1.26 -1.36 135.00 134.57 1smj n PRO 196 Ca 0.24 0.50 0.09 0.00 -2.02 0.00 0.00 63.50 62.31 1smj n PRO 196 Cb -0.00 -1.74 0.40 0.00 -0.02 0.00 0.00 33.50 32.14 1smj n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1smj n ALA 197 N -1.53 1.38 1.06 3.55 0.00 -1.26 -0.93 120.51 122.77 1smj n ALA 197 Ca -0.00 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.63 1smj n ALA 197 Cb 0.10 -1.27 0.12 0.00 0.00 0.00 0.00 19.45 18.39 1smj n ALA 197 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1smj n TYR 198 N -1.98 0.00 0.09 0.00 4.01 -0.47 -4.46 117.16 114.36 1smj n TYR 198 Ca 0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.63 1smj n TYR 198 Cb 0.13 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.09 1smj n TYR 198 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1smj h ASP 199 N 3.39 -0.54 -0.65 7.72 3.32 -1.20 0.54 116.42 129.00 1smj h ASP 199 Ca 0.00 0.07 0.17 0.00 0.02 0.00 0.00 57.03 57.28 1smj h ASP 199 Cb 0.83 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.56 1smj h ASP 199 CO 0.00 -0.27 0.45 -0.33 -1.72 0.00 0.00 179.24 177.37 1smj h GLU 200 N -0.36 0.13 0.09 3.56 3.07 -1.78 0.22 114.58 119.51 1smj h GLU 200 Ca 0.03 -0.01 -0.26 0.00 -0.50 0.00 0.00 59.36 58.62 1smj h GLU 200 Cb 0.39 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 1smj h GLU 200 CO -0.12 0.08 -1.21 -0.91 -1.40 0.00 0.00 179.01 175.45 1smj h ASN 201 N 0.13 0.31 -0.31 1.42 -0.26 -0.33 0.41 115.58 116.94 1smj h ASN 201 Ca 0.31 -0.34 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1smj h ASN 201 Cb 1.05 -0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 38.19 1smj h ASN 201 CO -0.04 1.27 0.19 0.11 -1.06 0.00 0.00 177.43 177.89 1smj h LYS 202 N 0.05 0.42 -0.21 0.81 1.57 -0.46 -1.49 116.57 117.27 1smj h LYS 202 Ca -0.11 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1smj h LYS 202 Cb 1.93 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 34.14 1smj h LYS 202 CO 0.18 0.32 0.12 -0.09 -0.57 0.00 0.00 179.45 179.41 1smj h ARG 203 N 0.40 0.28 -0.55 3.15 2.43 -0.81 -1.24 114.38 118.04 1smj h ARG 203 Ca 0.11 -0.03 0.10 0.00 -0.81 0.00 0.00 59.98 59.35 1smj h ARG 203 Cb 0.01 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.42 1smj h ARG 203 CO -0.02 0.24 0.10 0.37 -1.51 0.00 0.00 179.97 179.15 1smj h GLN 204 N 0.25 0.23 -0.49 0.20 5.75 -0.91 -1.28 115.11 118.86 1smj h GLN 204 Ca 0.07 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.64 1smj h GLN 204 Cb 0.03 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.46 1smj h GLN 204 CO -0.01 0.15 0.11 0.35 -2.65 0.00 0.00 178.83 176.77 1smj h PHE 205 N 0.23 0.17 0.73 3.99 3.57 -0.76 0.01 116.94 124.89 1smj h PHE 205 Ca 0.28 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.78 1smj h PHE 205 Cb 0.41 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1smj h PHE 205 CO -0.25 0.00 -0.38 1.96 -2.23 0.00 0.00 178.31 177.41 1smj h GLN 206 N 0.24 -0.99 -0.99 1.11 1.08 -0.43 0.27 115.11 115.41 1smj h GLN 206 Ca 0.25 0.07 0.35 0.00 -1.45 0.00 0.00 58.65 57.86 1smj h GLN 206 Cb 0.33 0.22 -0.17 0.00 -0.05 0.00 0.00 27.48 27.81 1smj h GLN 206 CO -0.32 -0.66 0.43 1.49 -0.95 0.00 0.00 178.83 178.83 1smj h GLU 207 N -1.03 0.11 0.05 1.46 4.81 -0.86 -0.85 114.58 118.28 1smj h GLU 207 Ca -0.10 -0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 58.89 1smj h GLU 207 Cb 0.80 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.15 1smj h GLU 207 CO 0.14 0.07 -1.05 -0.44 -0.73 0.00 0.00 179.01 177.00 1smj h ASP 208 N 0.11 0.34 -0.49 1.04 3.32 0.40 -1.86 116.42 119.29 1smj h ASP 208 Ca 0.75 -0.32 -0.05 0.00 0.02 0.00 0.00 57.03 57.42 1smj h ASP 208 Cb 1.80 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 41.23 1smj h ASP 208 CO -0.74 1.19 0.09 0.40 -1.72 0.00 0.00 179.24 178.46 1smj h ILE 209 N 0.10 1.25 0.08 0.35 2.04 0.59 -2.57 117.51 119.36 1smj h ILE 209 Ca -0.08 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 64.89 1smj h ILE 209 Cb 1.74 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 38.70 1smj h ILE 209 CO 0.17 0.32 -0.12 0.11 0.00 0.00 0.00 178.15 178.63 1smj h LYS 210 N 0.67 -0.24 -0.93 2.37 1.79 -1.02 -1.69 116.57 117.53 1smj h LYS 210 Ca 0.15 0.02 0.24 0.00 -2.18 0.00 0.00 60.65 58.87 1smj h LYS 210 Cb 0.37 0.05 -0.13 0.00 -1.58 0.00 0.00 32.23 30.95 1smj h LYS 210 CO 0.01 -0.16 0.45 0.28 -1.08 0.00 0.00 179.45 178.94 1smj h VAL 211 N -0.25 0.46 0.76 0.50 2.07 -1.31 0.61 116.25 119.10 1smj h VAL 211 Ca 0.02 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1smj h VAL 211 Cb 0.26 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1smj h VAL 211 CO -0.06 0.08 -0.37 0.24 0.02 0.00 0.00 177.57 177.48 1smj h MET 212 N 0.42 -0.99 -0.97 1.57 2.86 -0.95 -3.20 114.93 113.67 1smj h MET 212 Ca 0.59 0.07 0.16 0.00 -2.06 0.00 0.00 59.70 58.46 1smj h MET 212 Cb 1.16 0.22 -0.16 0.00 0.06 0.00 0.00 31.60 32.88 1smj h MET 212 CO -0.53 -0.65 -0.36 -0.91 1.06 0.00 0.00 176.91 175.52 1smj h ASN 213 N -1.25 -1.31 -0.18 1.22 2.35 -0.43 0.69 115.58 116.67 1smj h ASN 213 Ca -0.10 0.30 0.05 0.00 -0.55 0.00 0.00 56.30 56.00 1smj h ASN 213 Cb 0.80 0.72 -0.01 0.00 0.05 0.00 0.00 38.32 39.87 1smj h ASN 213 CO 0.17 -0.30 0.45 0.44 -1.65 0.00 0.00 177.43 176.54 1smj h ASP 214 N -0.01 0.00 0.29 5.81 3.32 0.15 -0.61 116.42 125.37 1smj h ASP 214 Ca 0.37 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.09 1smj h ASP 214 Cb 0.62 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.12 1smj h ASP 214 CO -0.98 0.00 -1.94 -0.11 -1.72 0.00 0.00 179.24 174.49 1smj n LEU 215 N -3.17 1.28 0.02 1.55 0.00 0.23 -3.02 117.00 113.89 1smj n LEU 215 Ca 0.02 0.26 -0.03 0.00 0.00 0.00 0.00 56.01 56.27 1smj n LEU 215 Cb 0.55 -0.14 -0.02 0.00 0.00 0.00 0.00 43.42 43.80 1smj n LEU 215 CO 0.18 0.55 0.50 0.58 0.00 0.00 0.00 177.39 179.20 1smj h VAL 216 N 0.02 0.00 -0.29 1.96 2.07 0.10 -2.67 116.25 117.43 1smj h VAL 216 Ca -0.38 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.18 1smj h VAL 216 Cb 2.05 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1smj h VAL 216 CO 0.06 0.00 -0.13 0.47 0.02 0.00 0.00 177.57 177.99 1smj n ASP 217 N -3.00 -0.22 -0.27 0.57 8.00 -0.71 -0.12 116.55 120.80 1smj n ASP 217 Ca -0.01 0.51 0.02 0.00 0.71 0.00 0.00 54.79 56.02 1smj n ASP 217 Cb 0.07 -0.11 0.15 0.00 -0.02 0.00 0.00 41.12 41.22 1smj n ASP 217 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1smj h LYS 218 N 0.00 0.72 0.21 -1.24 1.79 -1.44 -0.82 116.57 115.79 1smj h LYS 218 Ca 0.09 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1smj h LYS 218 Cb 0.16 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1smj h LYS 218 CO -0.29 0.47 -0.10 0.82 -1.08 0.00 0.00 179.45 179.28 1smj h ILE 219 N 0.74 0.87 0.17 1.86 2.04 -0.17 -1.14 117.51 121.88 1smj h ILE 219 Ca 0.37 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1smj h ILE 219 Cb 0.33 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1smj h ILE 219 CO -0.24 0.12 -0.27 0.40 0.00 0.00 0.00 178.15 178.16 1smj h ILE 220 N -0.56 0.00 -0.97 -0.67 2.04 -1.20 0.09 117.51 116.24 1smj h ILE 220 Ca -0.03 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.08 1smj h ILE 220 Cb 0.41 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.31 1smj h ILE 220 CO 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 178.15 178.16 1smj h ALA 221 N -1.18 1.03 -0.52 1.87 0.00 -1.20 -1.34 119.26 117.92 1smj h ALA 221 Ca -0.02 0.34 0.05 0.00 0.00 0.00 0.00 54.91 55.28 1smj h ALA 221 Cb 0.43 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1smj h ALA 221 CO -0.09 -0.52 0.26 0.22 0.00 0.00 0.00 179.25 179.13 1smj h ASP 222 N 0.01 0.38 0.55 0.00 3.58 -0.80 -2.63 116.42 117.51 1smj h ASP 222 Ca 0.56 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 58.02 1smj h ASP 222 Cb 1.09 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 42.08 1smj h ASP 222 CO -0.93 0.26 -0.49 -0.09 -2.88 0.00 0.00 179.24 175.11 1smj h ARG 223 N 0.51 -0.99 -0.08 0.28 9.65 0.06 -3.29 114.38 120.53 1smj h ARG 223 Ca 0.23 0.07 0.01 0.00 -1.10 0.00 0.00 59.98 59.18 1smj h ARG 223 Cb 0.14 0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.93 1smj h ARG 223 CO -0.16 -0.66 -0.05 1.63 2.80 0.00 0.00 179.97 183.53 1smj n LYS 224 N -5.57 -0.03 -2.73 0.20 4.76 -0.65 -2.32 118.16 111.83 1smj n LYS 224 Ca -0.12 0.69 -0.42 0.00 -2.87 0.00 0.00 58.31 55.58 1smj n LYS 224 Cb 0.47 -1.03 -0.03 0.00 -1.84 0.00 0.00 35.03 32.59 1smj n LYS 224 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1smj s ALA 225 N -3.85 2.98 -0.06 7.82 0.00 -1.02 -5.00 121.76 122.63 1smj s ALA 225 Ca -0.01 -2.08 -0.29 0.00 0.00 0.00 0.00 51.96 49.58 1smj s ALA 225 Cb 0.01 -4.18 0.10 0.00 0.00 0.00 0.00 23.12 19.05 1smj s ALA 225 CO 0.05 -3.17 0.84 -1.54 0.00 0.00 0.00 175.76 171.94 1smj s SER 226 N 4.04 -0.47 -0.80 0.00 1.04 -0.98 -4.81 113.70 111.71 1smj s SER 226 Ca 0.34 0.37 -0.25 0.00 0.48 0.00 0.00 55.95 56.88 1smj s SER 226 Cb -0.07 0.42 -0.09 0.00 0.10 0.00 0.00 66.02 66.37 1smj s SER 226 CO 0.01 -0.54 2.20 -0.83 0.98 0.00 0.00 173.24 175.05 1smj s GLY 227 N -1.60 -0.35 0.00 7.32 0.00 -1.26 -4.91 107.32 106.52 1smj s GLY 227 Ca -0.03 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1smj s GLY 227 CO 0.00 3.89 0.00 -1.84 0.00 0.00 0.00 173.10 175.15 1smj n GLU 228 N 8.87 3.36 -2.58 2.90 0.28 -1.26 -4.83 120.64 127.38 1smj n GLU 228 Ca 0.42 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 57.35 1smj n GLU 228 Cb 0.46 0.00 0.03 0.00 1.43 0.00 0.00 31.44 33.36 1smj n GLU 228 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1smj n GLN 229 N 0.00 -2.52 -3.40 3.44 1.13 -1.26 -5.06 117.38 109.70 1smj n GLN 229 Ca 0.00 0.31 -0.38 0.00 -1.94 0.00 0.00 57.00 55.00 1smj n GLN 229 Cb 0.00 -3.75 -0.06 0.00 0.11 0.00 0.00 30.24 26.54 1smj n GLN 229 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1smj s SER 230 N -3.46 6.75 -0.43 1.08 0.01 -1.26 -5.00 113.70 111.40 1smj s SER 230 Ca 0.03 0.90 0.04 0.00 1.31 0.00 0.00 55.95 58.22 1smj s SER 230 Cb -0.01 -2.27 0.48 0.00 0.21 0.00 0.00 66.02 64.43 1smj s SER 230 CO 0.27 0.17 1.60 -0.67 0.41 0.00 0.00 173.24 175.02 1smj n ASP 231 N 2.72 5.16 -3.30 2.44 2.03 -1.26 -4.69 116.55 119.66 1smj n ASP 231 Ca -0.11 -3.77 -0.21 0.00 0.52 0.00 0.00 54.79 51.23 1smj n ASP 231 Cb 0.52 -0.67 0.16 0.00 -0.72 0.00 0.00 41.12 40.41 1smj n ASP 231 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1smj n ASP 232 N -0.92 -0.67 -0.32 1.67 5.68 -1.26 -4.92 116.55 115.80 1smj n ASP 232 Ca 0.49 -1.19 0.10 0.00 -0.50 0.00 0.00 54.79 53.69 1smj n ASP 232 Cb 0.94 -0.71 0.27 0.00 -1.14 0.00 0.00 41.12 40.47 1smj n ASP 232 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1smj h LEU 233 N 0.00 0.64 0.00 -2.12 6.46 -1.72 -3.27 115.31 115.30 1smj h LEU 233 Ca -0.30 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.56 1smj h LEU 233 Cb 0.86 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.77 1smj h LEU 233 CO 0.20 0.25 0.00 -0.11 -0.62 0.00 0.00 178.44 178.16 1smj n LEU 234 N -4.82 0.02 0.00 2.25 7.94 -0.57 -1.82 117.00 120.00 1smj n LEU 234 Ca 0.20 0.89 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 1smj n LEU 234 Cb 0.50 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 44.05 1smj n LEU 234 CO 0.21 -0.40 0.28 0.35 -1.11 0.00 0.00 177.39 176.72 1smj n THR 235 N -1.70 0.00 -0.30 1.96 -2.24 -1.24 0.84 114.28 111.61 1smj n THR 235 Ca 0.00 0.86 0.27 0.00 -2.27 0.00 0.00 64.05 62.91 1smj n THR 235 Cb 0.00 -1.15 0.48 0.00 -2.10 0.00 0.00 70.33 67.57 1smj n THR 235 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1smj n HIS 236 N -2.47 0.76 0.27 4.78 8.25 -1.21 -0.17 115.22 125.43 1smj n HIS 236 Ca 0.00 0.77 -0.14 0.00 -0.26 0.00 0.00 57.72 58.09 1smj n HIS 236 Cb 0.00 -1.18 -0.07 0.00 1.12 0.00 0.00 29.99 29.85 1smj n HIS 236 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1smj h MET 237 N 0.00 -0.69 -0.75 -0.41 2.07 0.12 -2.57 114.93 112.70 1smj h MET 237 Ca 0.67 0.05 -0.00 0.00 -2.07 0.00 0.00 59.70 58.34 1smj h MET 237 Cb 1.93 0.16 -0.04 0.00 -1.87 0.00 0.00 31.60 31.78 1smj h MET 237 CO -0.50 -0.39 0.46 -0.07 1.07 0.00 0.00 176.91 177.48 1smj h LEU 238 N -1.05 0.89 0.00 1.22 3.38 -0.20 -3.38 115.31 116.16 1smj h LEU 238 Ca -0.07 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1smj h LEU 238 Cb 0.62 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1smj h LEU 238 CO 0.12 0.68 0.00 0.59 0.09 0.00 0.00 178.44 179.92 1smj n ASN 239 N -4.52 0.00 0.00 -0.43 5.03 0.61 -4.84 115.26 111.11 1smj n ASN 239 Ca 0.07 0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.59 1smj n ASN 239 Cb 0.05 -0.15 0.00 0.00 -1.02 0.00 0.00 39.78 38.66 1smj n ASN 239 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1smj n GLY 240 N 2.27 0.00 3.30 7.41 0.00 -0.97 -4.72 105.19 112.48 1smj n GLY 240 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1smj n GLY 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smj s LYS 241 N 0.00 0.64 -0.30 1.61 1.02 -1.26 -3.99 119.74 117.46 1smj s LYS 241 Ca 0.00 0.16 -0.29 0.00 0.02 0.00 0.00 55.97 55.86 1smj s LYS 241 Cb 0.00 0.30 -0.01 0.00 -0.52 0.00 0.00 37.83 37.60 1smj s LYS 241 CO 0.00 -0.15 1.44 0.34 -0.92 0.00 0.00 175.35 176.06 1smj s ASP 242 N -0.71 6.48 0.00 2.83 2.15 0.88 -4.78 116.67 123.52 1smj s ASP 242 Ca -0.08 1.27 0.00 0.00 0.43 0.00 0.00 52.55 54.17 1smj s ASP 242 Cb -0.04 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.05 1smj s ASP 242 CO 0.03 -1.23 0.78 -2.65 -0.17 0.00 0.00 175.17 171.93 1smj n PRO 243 N 7.62 0.00 -0.40 4.34 -0.01 -1.26 0.14 135.00 145.43 1smj n PRO 243 Ca 0.17 0.78 0.34 0.00 -0.01 0.00 0.00 63.50 64.77 1smj n PRO 243 Cb 0.46 -1.18 0.61 0.00 -0.01 0.00 0.00 33.50 33.39 1smj n PRO 243 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 175.50 176.98 1smj h GLU 244 N 0.00 0.10 0.00 -0.52 4.81 -1.97 -3.24 114.58 113.75 1smj h GLU 244 Ca 0.00 -0.01 -0.23 0.00 -0.13 0.00 0.00 59.36 59.00 1smj h GLU 244 Cb 0.00 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1smj h GLU 244 CO 0.00 0.06 -1.77 0.25 -0.73 0.00 0.00 179.01 176.82 1smj n THR 245 N -4.87 0.76 0.00 0.32 -2.24 -0.95 -5.05 114.28 102.26 1smj n THR 245 Ca 0.37 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1smj n THR 245 Cb 1.34 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 1smj n THR 245 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1smj n GLY 246 N 2.31 0.68 3.33 3.38 0.00 0.12 -5.00 105.19 110.01 1smj n GLY 246 Ca -0.27 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 1smj n GLY 246 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1smj s GLU 247 N -0.56 1.75 0.37 1.61 0.41 -1.25 -4.57 118.70 116.46 1smj s GLU 247 Ca 0.00 -1.07 -0.06 0.00 -0.41 0.00 0.00 54.97 53.42 1smj s GLU 247 Cb 0.00 -1.91 -0.05 0.00 -1.78 0.00 0.00 34.13 30.39 1smj s GLU 247 CO 0.00 0.50 0.67 -1.25 -0.49 0.00 0.00 175.26 174.68 1smj s PRO 248 N -1.19 3.65 0.28 0.39 0.04 -1.26 -0.08 135.00 136.83 1smj s PRO 248 Ca 0.11 0.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.02 1smj s PRO 248 Cb -0.10 -2.51 -0.13 0.00 0.04 0.00 0.00 34.50 31.80 1smj s PRO 248 CO 0.02 0.05 1.34 1.28 0.04 0.00 0.00 177.00 179.73 1smj n LEU 249 N -1.37 3.22 -4.75 -3.56 4.77 -1.26 -4.98 117.00 109.07 1smj n LEU 249 Ca -0.00 1.17 -0.37 0.00 -0.03 0.00 0.00 56.01 56.78 1smj n LEU 249 Cb 0.54 -1.44 0.04 0.00 -2.33 0.00 0.00 43.42 40.23 1smj n LEU 249 CO 0.49 -0.53 0.88 1.51 -1.33 0.00 0.00 177.39 178.41 1smj s ASP 250 N 0.02 5.22 0.00 -1.43 1.47 -1.26 -4.79 116.67 115.89 1smj s ASP 250 Ca 0.63 2.50 0.00 0.00 1.18 0.00 0.00 52.55 56.85 1smj s ASP 250 Cb -0.62 -2.61 0.00 0.00 -0.34 0.00 0.00 42.92 39.35 1smj s ASP 250 CO 0.55 -1.58 0.05 0.47 0.68 0.00 0.00 175.17 175.33 1smj n ASP 251 N -1.40 0.00 0.00 2.11 8.00 -1.26 0.43 116.55 124.43 1smj n ASP 251 Ca 0.13 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1smj n ASP 251 Cb 0.48 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.57 1smj n ASP 251 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1smj n GLU 252 N -1.29 0.00 0.24 -1.24 2.13 -1.26 -1.36 120.64 117.86 1smj n GLU 252 Ca 0.00 0.62 0.10 0.00 0.66 0.00 0.00 57.16 58.55 1smj n GLU 252 Cb 0.00 -0.98 0.63 0.00 0.27 0.00 0.00 31.44 31.36 1smj n GLU 252 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 1smj h ASN 253 N 0.00 0.00 0.89 4.31 -0.73 -1.85 -2.35 115.58 115.85 1smj h ASN 253 Ca 0.00 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.13 1smj h ASN 253 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.60 1smj h ASN 253 CO 0.00 0.17 -0.43 0.40 -0.37 0.00 0.00 177.43 177.20 1smj h ILE 254 N 0.00 0.12 -0.83 2.57 2.04 0.13 0.89 117.51 122.43 1smj h ILE 254 Ca -0.00 -0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.05 1smj h ILE 254 Cb 0.42 0.12 -0.12 0.00 -0.74 0.00 0.00 36.82 36.50 1smj h ILE 254 CO 0.02 0.00 0.30 -0.09 0.00 0.00 0.00 178.15 178.38 1smj h ARG 255 N -1.20 0.34 0.00 2.37 1.12 -1.15 2.83 114.38 118.70 1smj h ARG 255 Ca -0.12 -0.02 -0.02 0.00 -1.11 0.00 0.00 59.98 58.71 1smj h ARG 255 Cb 0.92 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.80 1smj h ARG 255 CO 0.20 0.23 -0.08 1.88 -3.11 0.00 0.00 179.97 179.08 1smj h TYR 256 N 0.35 0.00 0.05 2.20 0.05 -1.07 0.64 116.97 119.19 1smj h TYR 256 Ca 0.50 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 59.06 1smj h TYR 256 Cb 0.90 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.66 1smj h TYR 256 CO -0.19 0.08 -0.86 1.96 -1.05 0.00 0.00 178.16 178.10 1smj h GLN 257 N 0.00 0.50 0.19 4.88 1.08 1.24 -1.96 115.11 121.05 1smj h GLN 257 Ca -0.00 -0.60 0.00 0.00 -1.45 0.00 0.00 58.65 56.60 1smj h GLN 257 Cb 0.32 0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.91 1smj h GLN 257 CO 0.01 1.23 -0.34 0.82 -0.95 0.00 0.00 178.83 179.60 1smj h ILE 258 N 0.04 0.00 -0.78 2.54 2.04 -0.23 -0.42 117.51 120.69 1smj h ILE 258 Ca -0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.81 1smj h ILE 258 Cb 1.57 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 37.55 1smj h ILE 258 CO 0.17 0.00 -0.57 0.40 0.00 0.00 0.00 178.15 178.15 1smj h ILE 259 N -0.57 0.00 -0.88 -0.67 2.04 -0.99 0.78 117.51 117.23 1smj h ILE 259 Ca -0.02 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.07 1smj h ILE 259 Cb 0.53 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.48 1smj h ILE 259 CO -0.13 0.00 0.29 0.74 0.00 0.00 0.00 178.15 179.05 1smj h THR 260 N -0.14 0.38 0.18 -0.27 2.02 -1.08 -2.17 112.91 111.83 1smj h THR 260 Ca 0.13 -0.09 -0.24 0.00 0.77 0.00 0.00 66.41 66.98 1smj h THR 260 Cb 0.47 0.08 0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1smj h THR 260 CO -0.81 0.05 -1.05 -0.26 0.37 0.00 0.00 175.52 173.82 1smj h PHE 261 N 0.27 0.68 -0.87 3.16 -1.00 0.22 -2.00 116.94 117.41 1smj h PHE 261 Ca 0.55 -0.50 0.22 0.00 2.81 0.00 0.00 57.97 61.06 1smj h PHE 261 Cb 1.09 -0.03 -0.13 0.00 3.61 0.00 0.00 35.95 40.49 1smj h PHE 261 CO -0.22 1.40 0.29 -0.07 -1.61 0.00 0.00 178.31 178.11 1smj h LEU 262 N -0.21 0.13 0.00 1.54 3.38 -0.72 0.56 115.31 119.99 1smj h LEU 262 Ca -0.19 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1smj h LEU 262 Cb 1.81 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.77 1smj h LEU 262 CO 0.19 -0.09 0.00 -0.38 0.09 0.00 0.00 178.44 178.25 1smj n ILE 263 N -5.15 0.00 0.00 1.22 5.41 -0.83 -3.57 119.36 116.43 1smj n ILE 263 Ca 0.21 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.96 1smj n ILE 263 Cb 0.65 -0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.57 1smj n ILE 263 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1smj n GLU 264 N 0.00 0.00 -0.97 0.38 4.07 -0.79 -1.21 120.64 122.12 1smj n GLU 264 Ca 0.00 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.99 1smj n GLU 264 Cb 0.00 0.00 0.19 0.00 -0.06 0.00 0.00 31.44 31.57 1smj n GLU 264 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1smj n GLY 265 N -0.87 4.83 0.00 8.31 0.00 0.20 -4.56 105.19 113.09 1smj n GLY 265 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1smj n GLY 265 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1smj n HIS 266 N -1.13 0.00 0.00 1.61 1.44 -0.35 -4.55 115.22 112.25 1smj n HIS 266 Ca 0.42 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.13 1smj n HIS 266 Cb 1.22 0.00 0.00 0.00 0.12 0.00 0.00 29.99 31.33 1smj n HIS 266 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 1smj n GLU 267 N -0.28 0.00 -0.31 -1.40 4.07 -1.18 -2.08 120.64 119.45 1smj n GLU 267 Ca 0.00 0.26 0.31 0.00 -0.06 0.00 0.00 57.16 57.67 1smj n GLU 267 Cb 0.01 -0.96 0.67 0.00 -0.06 0.00 0.00 31.44 31.10 1smj n GLU 267 CO 0.00 0.00 0.00 1.79 -0.06 0.00 0.00 177.13 178.86 1smj h THR 268 N 0.00 0.45 0.41 6.31 1.35 -1.83 -1.59 112.91 118.01 1smj h THR 268 Ca 0.00 -0.04 -0.02 0.00 -0.55 0.00 0.00 66.41 65.80 1smj h THR 268 Cb 0.00 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 66.74 1smj h THR 268 CO 0.00 0.02 -0.20 0.74 -0.25 0.00 0.00 175.52 175.84 1smj h THR 269 N 0.12 0.00 0.00 6.82 2.02 -1.88 -2.34 112.91 117.66 1smj h THR 269 Ca 0.57 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.72 1smj h THR 269 Cb 1.99 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1smj h THR 269 CO -0.11 0.00 0.33 0.77 0.37 0.00 0.00 175.52 176.89 1smj h SER 270 N -0.58 0.00 0.18 4.18 4.64 -0.81 0.67 113.55 121.83 1smj h SER 270 Ca -0.06 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1smj h SER 270 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1smj h SER 270 CO 0.09 0.00 -0.09 1.23 -0.87 0.00 0.00 176.83 177.19 1smj h GLY 271 N 0.00 -0.29 -0.03 -0.77 0.00 -0.94 -0.48 103.07 100.56 1smj h GLY 271 Ca 0.00 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.48 1smj h GLY 271 CO 0.00 -0.11 -0.46 -2.00 0.00 0.00 0.00 176.54 173.97 1smj h LEU 272 N -0.25 -1.46 -0.83 3.11 5.85 -0.66 0.15 115.31 121.22 1smj h LEU 272 Ca -0.02 0.18 0.18 0.00 0.84 0.00 0.00 57.88 59.06 1smj h LEU 272 Cb 0.19 0.58 -0.11 0.00 0.37 0.00 0.00 40.66 41.69 1smj h LEU 272 CO 0.04 -0.45 0.34 -0.07 -0.34 0.00 0.00 178.44 177.95 1smj h LEU 273 N -0.54 0.28 -0.01 2.25 3.38 -0.99 -0.52 115.31 119.16 1smj h LEU 273 Ca 0.06 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1smj h LEU 273 Cb 0.66 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1smj h LEU 273 CO -0.40 0.04 -0.08 0.28 0.09 0.00 0.00 178.44 178.37 1smj h SER 274 N 0.41 0.08 -0.98 -0.43 0.02 0.55 -0.18 113.55 113.03 1smj h SER 274 Ca 0.49 -0.73 0.09 0.00 -0.84 0.00 0.00 61.79 60.80 1smj h SER 274 Cb 0.85 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.29 1smj h SER 274 CO -0.48 0.80 0.62 -0.26 -1.14 0.00 0.00 176.83 176.37 1smj h PHE 275 N -0.63 1.14 -0.00 3.45 0.04 -0.57 -2.66 116.94 117.71 1smj h PHE 275 Ca -0.01 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1smj h PHE 275 Cb 0.81 -0.37 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 1smj h PHE 275 CO 0.18 0.52 -0.00 0.00 -0.60 0.00 0.00 178.31 178.41 1smj h ALA 276 N 1.49 0.00 0.00 2.45 0.00 -0.58 0.18 119.26 122.80 1smj h ALA 276 Ca 0.45 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1smj h ALA 276 Cb 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1smj h ALA 276 CO -0.22 -0.30 0.00 -0.11 0.00 0.00 0.00 179.25 178.62 1smj n LEU 277 N -4.90 0.00 -0.01 0.00 7.94 -0.13 -1.25 117.00 118.65 1smj n LEU 277 Ca -0.08 0.42 -0.00 0.00 -1.11 0.00 0.00 56.01 55.23 1smj n LEU 277 Cb 0.21 -0.42 -0.00 0.00 0.53 0.00 0.00 43.42 43.74 1smj n LEU 277 CO 0.33 -0.28 -0.02 0.22 -1.11 0.00 0.00 177.39 176.53 1smj h TYR 278 N 0.00 0.00 -0.66 1.96 3.20 -0.40 -2.72 116.97 118.35 1smj h TYR 278 Ca 0.00 0.00 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1smj h TYR 278 Cb 0.14 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.31 1smj h TYR 278 CO 0.00 0.00 -0.32 1.19 -1.64 0.00 0.00 178.16 177.39 1smj n PHE 279 N -2.52 -0.13 -0.40 -3.82 3.72 -0.05 0.19 117.46 114.44 1smj n PHE 279 Ca -0.00 0.81 -0.10 0.00 -0.05 0.00 0.00 57.45 58.11 1smj n PHE 279 Cb 0.01 -0.65 -0.09 0.00 -0.94 0.00 0.00 39.48 37.81 1smj n PHE 279 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1smj n LEU 280 N -4.89 -1.01 -0.14 4.37 4.77 -0.38 -0.32 117.00 119.39 1smj n LEU 280 Ca 0.04 1.70 -0.09 0.00 -0.03 0.00 0.00 56.01 57.63 1smj n LEU 280 Cb 0.22 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1smj n LEU 280 CO -0.10 -1.39 0.89 0.58 -1.33 0.00 0.00 177.39 176.04 1smj h VAL 281 N 0.00 1.22 0.00 4.08 2.07 0.24 -2.08 116.25 121.78 1smj h VAL 281 Ca 0.16 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1smj h VAL 281 Cb 0.40 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1smj h VAL 281 CO -0.90 0.25 0.19 0.11 0.02 0.00 0.00 177.57 177.24 1smj h LYS 282 N 0.51 0.00 -2.43 1.57 1.79 0.11 -3.35 116.57 114.77 1smj h LYS 282 Ca 0.13 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 58.01 1smj h LYS 282 Cb 0.26 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.51 1smj h LYS 282 CO -0.00 0.00 -0.84 0.09 -1.08 0.00 0.00 179.45 177.61 1smj n ASN 283 N -2.42 1.24 0.00 0.86 5.03 0.56 -5.00 115.26 115.53 1smj n ASN 283 Ca -0.02 -2.83 0.14 0.00 0.87 0.00 0.00 54.58 52.75 1smj n ASN 283 Cb 0.23 -0.64 0.85 0.00 -1.02 0.00 0.00 39.78 39.19 1smj n ASN 283 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1smj n PRO 284 N 1.96 0.97 0.07 3.52 -0.04 -1.26 0.35 135.00 140.57 1smj n PRO 284 Ca 0.25 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.49 1smj n PRO 284 Cb 0.45 -1.46 -0.15 0.00 -0.04 0.00 0.00 33.50 32.30 1smj n PRO 284 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1smj h HIS 285 N 0.00 0.67 0.00 0.54 3.86 -1.94 -2.97 115.15 115.32 1smj h HIS 285 Ca 0.00 -0.49 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1smj h HIS 285 Cb 0.00 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1smj h HIS 285 CO 0.00 1.53 0.00 0.28 0.86 0.00 0.00 177.93 180.60 1smj h VAL 286 N -0.11 0.00 0.06 2.45 2.07 -0.43 -2.38 116.25 117.91 1smj h VAL 286 Ca -0.26 -0.33 -0.24 0.00 0.82 0.00 0.00 66.70 66.69 1smj h VAL 286 Cb 1.92 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 33.00 1smj h VAL 286 CO 0.16 0.00 -1.25 0.25 0.02 0.00 0.00 177.57 176.76 1smj h LEU 287 N 0.00 0.21 0.54 2.57 6.46 -1.63 0.23 115.31 123.69 1smj h LEU 287 Ca 0.00 -0.77 -0.02 0.00 -0.12 0.00 0.00 57.88 56.98 1smj h LEU 287 Cb 0.33 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 1smj h LEU 287 CO 0.00 1.53 -0.50 -0.61 -0.62 0.00 0.00 178.44 178.23 1smj h GLN 288 N -0.58 -0.99 -0.05 1.25 4.15 -1.37 0.20 115.11 117.72 1smj h GLN 288 Ca -0.29 0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.20 1smj h GLN 288 Cb 1.54 0.23 -0.01 0.00 0.21 0.00 0.00 27.48 29.45 1smj h GLN 288 CO -0.03 -0.66 -0.03 1.17 -1.93 0.00 0.00 178.83 177.34 1smj n LYS 289 N -5.57 -0.02 -0.07 1.69 4.81 -0.91 -1.55 118.16 116.54 1smj n LYS 289 Ca -0.12 0.66 -0.03 0.00 -0.87 0.00 0.00 58.31 57.94 1smj n LYS 289 Cb 0.47 -0.98 0.19 0.00 0.02 0.00 0.00 35.03 34.73 1smj n LYS 289 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1smj h ALA 290 N -0.56 1.16 0.00 3.14 0.00 -0.58 0.19 119.26 122.62 1smj h ALA 290 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1smj h ALA 290 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1smj h ALA 290 CO -0.05 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.74 1smj n ALA 291 N -2.48 1.34 -0.02 0.00 0.00 0.69 -1.39 120.51 118.66 1smj n ALA 291 Ca 0.02 0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.61 1smj n ALA 291 Cb 0.31 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.39 1smj n ALA 291 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1smj h GLU 292 N 0.00 0.00 -1.61 0.00 4.81 0.07 -2.19 114.58 115.66 1smj h GLU 292 Ca 0.00 0.00 0.50 0.00 -0.13 0.00 0.00 59.36 59.73 1smj h GLU 292 Cb 0.18 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.46 1smj h GLU 292 CO 0.00 0.00 1.11 1.49 -0.73 0.00 0.00 179.01 180.88 1smj h GLU 293 N -0.30 0.03 0.22 1.92 4.22 -1.40 -1.00 114.58 118.26 1smj h GLU 293 Ca 0.00 -0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1smj h GLU 293 Cb 0.01 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1smj h GLU 293 CO 0.00 0.02 -0.10 0.00 -2.18 0.00 0.00 179.01 176.74 1smj h ALA 294 N 1.33 -0.68 -0.52 2.92 0.00 -1.29 -2.18 119.26 118.84 1smj h ALA 294 Ca 0.86 -0.06 0.15 0.00 0.00 0.00 0.00 54.91 55.86 1smj h ALA 294 Cb 3.12 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 21.00 1smj h ALA 294 CO -0.22 -0.66 0.55 0.00 0.00 0.00 0.00 179.25 178.92 1smj h ALA 295 N -1.72 2.27 0.04 0.00 0.00 -0.59 0.21 119.26 119.47 1smj h ALA 295 Ca -0.03 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.51 1smj h ALA 295 Cb 0.22 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1smj h ALA 295 CO 0.05 -0.82 -2.00 2.89 0.00 0.00 0.00 179.25 179.37 1smj n ARG 296 N -3.69 0.66 0.27 0.00 1.85 -0.49 -4.25 116.66 111.00 1smj n ARG 296 Ca 0.10 0.32 0.11 0.00 -1.00 0.00 0.00 57.85 57.39 1smj n ARG 296 Cb 0.75 -1.64 0.75 0.00 -1.05 0.00 0.00 32.46 31.27 1smj n ARG 296 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1smj h VAL 297 N -0.42 0.74 -2.41 8.89 2.07 -1.02 -3.40 116.25 120.71 1smj h VAL 297 Ca -0.49 -0.22 -0.78 0.00 0.82 0.00 0.00 66.70 66.04 1smj h VAL 297 Cb 1.74 1.13 -0.30 0.00 -1.52 0.00 0.00 31.29 32.34 1smj h VAL 297 CO -0.12 0.06 0.72 0.18 0.02 0.00 0.00 177.57 178.42 1smj n LEU 298 N -4.04 6.67 0.04 2.57 4.77 0.70 -4.87 117.00 122.84 1smj n LEU 298 Ca -0.03 -5.39 -0.22 0.00 -0.03 0.00 0.00 56.01 50.34 1smj n LEU 298 Cb 0.14 -1.10 -0.14 0.00 -2.33 0.00 0.00 43.42 39.99 1smj n LEU 298 CO 0.31 2.00 -0.68 -0.37 -1.33 0.00 0.00 177.39 177.33 1smj h VAL 299 N 2.62 0.78 -2.91 4.08 -1.51 -1.86 -3.44 116.25 114.01 1smj h VAL 299 Ca 0.40 -2.42 -0.46 0.00 -1.23 0.00 0.00 66.70 62.99 1smj h VAL 299 Cb 0.42 2.64 0.22 0.00 -2.13 0.00 0.00 31.29 32.44 1smj h VAL 299 CO 1.16 0.88 -0.51 0.47 -1.23 0.00 0.00 177.57 178.34 1smj n ASP 300 N -3.54 -1.93 0.05 4.19 8.00 -1.26 -4.94 116.55 117.12 1smj n ASP 300 Ca -0.28 -0.07 -0.14 0.00 0.71 0.00 0.00 54.79 55.00 1smj n ASP 300 Cb 1.06 -1.14 -0.05 0.00 -0.02 0.00 0.00 41.12 40.98 1smj n ASP 300 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1smj h PRO 301 N -2.28 0.50 -5.22 -0.24 0.13 -1.86 -3.44 132.00 119.59 1smj h PRO 301 Ca -0.56 -0.50 -0.67 0.00 -0.87 0.00 0.00 66.00 63.41 1smj h PRO 301 Cb 1.34 0.13 -0.30 0.00 0.13 0.00 0.00 31.00 32.30 1smj h PRO 301 CO 0.43 1.14 -0.81 0.08 -0.23 0.00 0.00 178.00 178.61 1smj s VAL 302 N -3.38 2.66 0.98 1.56 1.01 -1.26 -4.55 120.40 117.42 1smj s VAL 302 Ca -0.07 -0.78 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 1smj s VAL 302 Cb 0.09 -2.11 0.25 0.00 0.00 0.00 0.00 36.38 34.60 1smj s VAL 302 CO 0.88 0.52 0.78 -2.65 0.00 0.00 0.00 175.10 174.62 1smj n PRO 303 N 3.94 -3.08 -3.62 2.72 -0.02 -1.26 -5.02 135.00 128.66 1smj n PRO 303 Ca -0.19 -1.26 -0.04 0.00 -2.02 0.00 0.00 63.50 59.99 1smj n PRO 303 Cb 0.52 -1.29 -0.06 0.00 -0.02 0.00 0.00 33.50 32.65 1smj n PRO 303 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1smj s SER 304 N -3.48 -0.79 0.50 2.55 1.04 -1.26 -5.03 113.70 107.23 1smj s SER 304 Ca 0.53 1.29 0.29 0.00 0.48 0.00 0.00 55.95 58.54 1smj s SER 304 Cb -0.06 1.92 0.99 0.00 0.10 0.00 0.00 66.02 68.97 1smj s SER 304 CO 0.42 -0.23 1.16 0.00 0.98 0.00 0.00 173.24 175.57 1smj n TYR 305 N 5.43 0.00 -0.11 5.02 4.19 -1.26 0.12 117.16 130.55 1smj n TYR 305 Ca -0.10 0.00 -0.21 0.00 3.31 0.00 0.00 57.90 60.90 1smj n TYR 305 Cb 0.49 -0.28 -0.12 0.00 0.49 0.00 0.00 39.34 39.92 1smj n TYR 305 CO 0.00 0.00 0.00 1.63 0.91 0.00 0.00 176.86 179.40 1smj n LYS 306 N -3.15 0.65 -0.23 2.98 4.01 -1.26 -3.79 118.16 117.37 1smj n LYS 306 Ca 0.26 0.22 -0.05 0.00 -0.51 0.00 0.00 58.31 58.22 1smj n LYS 306 Cb 1.43 -1.56 0.01 0.00 -0.51 0.00 0.00 35.03 34.40 1smj n LYS 306 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1smj h GLN 307 N -0.27 -0.14 -0.95 1.97 4.20 0.60 -1.30 115.11 119.21 1smj h GLN 307 Ca -0.57 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.26 1smj h GLN 307 Cb 1.82 0.03 -0.13 0.00 0.30 0.00 0.00 27.48 29.50 1smj h GLN 307 CO -0.15 -0.09 -0.52 0.28 -0.67 0.00 0.00 178.83 177.68 1smj h VAL 308 N -0.15 0.00 0.00 -0.54 2.07 -1.48 -0.85 116.25 115.31 1smj h VAL 308 Ca 0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.76 1smj h VAL 308 Cb 0.56 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1smj h VAL 308 CO -0.72 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.16 1smj n LYS 309 N -5.33 0.31 0.05 1.57 5.02 -0.51 -0.56 118.16 118.71 1smj n LYS 309 Ca 0.04 0.06 0.12 0.00 -2.02 0.00 0.00 58.31 56.51 1smj n LYS 309 Cb 0.31 -1.50 0.10 0.00 -0.02 0.00 0.00 35.03 33.92 1smj n LYS 309 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1smj n GLN 310 N -1.09 0.31 -1.92 1.97 6.02 -0.33 -4.73 117.38 117.62 1smj n GLN 310 Ca 0.08 0.05 -0.40 0.00 -0.01 0.00 0.00 57.00 56.72 1smj n GLN 310 Cb 0.06 -1.66 -0.02 0.00 1.02 0.00 0.00 30.24 29.64 1smj n GLN 310 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1smj n LEU 311 N -2.09 5.12 0.03 1.08 4.77 0.27 -4.78 117.00 121.41 1smj n LEU 311 Ca 0.02 -3.67 -0.09 0.00 -0.03 0.00 0.00 56.01 52.25 1smj n LEU 311 Cb 0.45 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 39.89 1smj n LEU 311 CO 0.38 0.06 0.28 0.11 -1.33 0.00 0.00 177.39 176.89 1smj h LYS 312 N 7.44 -0.17 0.32 3.23 1.57 -1.85 -3.05 116.57 124.07 1smj h LYS 312 Ca 0.45 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1smj h LYS 312 Cb 0.76 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.07 1smj h LYS 312 CO 1.67 0.23 -0.52 -0.92 -0.57 0.00 0.00 179.45 179.35 1smj h TYR 313 N -0.95 -1.46 -1.28 -1.35 3.20 -1.96 -1.75 116.97 111.42 1smj h TYR 313 Ca -0.02 0.02 0.37 0.00 3.14 0.00 0.00 58.73 62.25 1smj h TYR 313 Cb 0.47 0.60 -0.08 0.00 1.54 0.00 0.00 36.73 39.26 1smj h TYR 313 CO 0.09 -0.64 0.88 -0.39 -1.64 0.00 0.00 178.16 176.46 1smj h VAL 314 N -0.88 0.32 -0.01 1.81 -1.51 -1.91 3.70 116.25 117.77 1smj h VAL 314 Ca -0.04 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1smj h VAL 314 Cb 0.82 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 1smj h VAL 314 CO -0.17 0.02 -0.33 0.61 -1.23 0.00 0.00 177.57 176.47 1smj n GLY 315 N -1.66 -0.60 0.05 5.19 0.00 -0.87 -1.35 105.19 105.94 1smj n GLY 315 Ca 0.30 -0.43 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 1smj n GLY 315 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1smj h MET 316 N 1.21 -0.08 0.00 1.61 2.07 0.78 -3.13 114.93 117.40 1smj h MET 316 Ca 0.00 0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1smj h MET 316 Cb 0.54 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.28 1smj h MET 316 CO 0.00 -0.05 0.00 0.28 1.07 0.00 0.00 176.91 178.21 1smj n VAL 317 N -3.05 0.00 -0.26 -2.22 0.31 -0.74 0.09 118.33 112.47 1smj n VAL 317 Ca -0.01 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.22 1smj n VAL 317 Cb 0.03 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.90 1smj n VAL 317 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1smj h LEU 318 N 0.00 -1.77 -1.12 7.52 4.07 -1.35 0.33 115.31 122.98 1smj h LEU 318 Ca 0.00 0.27 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1smj h LEU 318 Cb 0.00 0.78 0.00 0.00 1.08 0.00 0.00 40.66 42.52 1smj h LEU 318 CO 0.00 -0.33 0.00 0.59 -1.08 0.00 0.00 178.44 177.62 1smj n ASN 319 N -5.36 0.59 -0.06 -0.43 3.02 0.11 0.85 115.26 113.97 1smj n ASN 319 Ca 0.01 0.72 -0.04 0.00 -0.03 0.00 0.00 54.58 55.24 1smj n ASN 319 Cb 0.33 -0.82 -0.01 0.00 -0.61 0.00 0.00 39.78 38.67 1smj n ASN 319 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1smj h GLU 320 N 0.00 0.00 0.00 3.52 4.39 0.18 -2.83 114.58 119.84 1smj h GLU 320 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1smj h GLU 320 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1smj h GLU 320 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 1smj n ALA 321 N -3.39 0.00 0.04 3.43 0.00 -0.67 0.12 120.51 120.04 1smj n ALA 321 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1smj n ALA 321 Cb 0.21 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.72 1smj n ALA 321 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1smj n LEU 322 N -0.58 0.00 -0.10 0.00 7.94 0.25 -1.07 117.00 123.45 1smj n LEU 322 Ca 0.00 0.07 -0.12 0.00 -1.11 0.00 0.00 56.01 54.84 1smj n LEU 322 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 1smj n LEU 322 CO 0.00 -0.07 -1.12 -1.14 -1.11 0.00 0.00 177.39 173.95 1smj n ARG 323 N -1.02 0.78 -0.01 1.96 0.63 0.32 -3.75 116.66 115.58 1smj n ARG 323 Ca 0.00 0.08 -0.07 0.00 -0.92 0.00 0.00 57.85 56.94 1smj n ARG 323 Cb 0.47 -1.41 -0.13 0.00 0.45 0.00 0.00 32.46 31.84 1smj n ARG 323 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1smj h LEU 324 N 0.00 0.00 -5.57 6.15 -0.00 -0.46 -3.41 115.31 112.02 1smj h LEU 324 Ca -0.45 0.00 -0.49 0.00 -0.00 0.00 0.00 57.88 56.94 1smj h LEU 324 Cb 1.79 0.00 -0.41 0.00 -0.00 0.00 0.00 40.66 42.05 1smj h LEU 324 CO -0.04 0.94 -1.06 0.79 -0.00 0.00 0.00 178.44 179.07 1smj n TRP 325 N -3.03 1.35 -1.56 1.13 5.03 -0.92 -4.98 117.44 114.46 1smj n TRP 325 Ca -0.15 -3.61 -0.14 0.00 3.03 0.00 0.00 57.50 56.63 1smj n TRP 325 Cb 1.02 -0.40 -0.08 0.00 -1.03 0.00 0.00 31.31 30.81 1smj n TRP 325 CO 0.00 0.00 0.00 -0.35 -0.03 0.00 0.00 177.69 177.31 1smj n PRO 326 N 0.06 0.51 0.11 -0.99 -0.04 -1.25 -4.70 135.00 128.70 1smj n PRO 326 Ca 0.24 -0.84 0.01 0.00 -0.04 0.00 0.00 63.50 62.87 1smj n PRO 326 Cb 0.64 -3.55 0.05 0.00 -0.04 0.00 0.00 33.50 30.59 1smj n PRO 326 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1smj n THR 327 N 8.63 0.15 -3.88 0.52 -2.24 -1.26 -1.59 114.28 114.61 1smj n THR 327 Ca 0.48 0.67 -0.30 0.00 -2.27 0.00 0.00 64.05 62.62 1smj n THR 327 Cb 0.41 -1.67 -0.14 0.00 -2.10 0.00 0.00 70.33 66.84 1smj n THR 327 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1smj s ALA 328 N -2.74 2.67 -0.27 6.98 0.00 -1.26 -2.69 121.76 124.45 1smj s ALA 328 Ca -0.00 -2.70 0.26 0.00 0.00 0.00 0.00 51.96 49.52 1smj s ALA 328 Cb 0.00 -1.97 1.16 0.00 0.00 0.00 0.00 23.12 22.32 1smj s ALA 328 CO 0.02 -1.90 1.78 -1.00 0.00 0.00 0.00 175.76 174.66 1smj h PRO 329 N 7.06 0.00 -3.59 0.00 0.13 -1.56 -3.47 132.00 130.57 1smj h PRO 329 Ca -0.06 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.92 1smj h PRO 329 Cb 0.95 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.04 1smj h PRO 329 CO 0.56 0.00 0.02 0.00 -0.23 0.00 0.00 178.00 178.35 1smj s ALA 330 N -3.46 0.02 -0.22 -0.56 0.00 -1.26 -1.82 121.76 114.46 1smj s ALA 330 Ca 0.02 -1.13 -0.27 0.00 0.00 0.00 0.00 51.96 50.59 1smj s ALA 330 Cb 0.09 0.94 0.09 0.00 0.00 0.00 0.00 23.12 24.23 1smj s ALA 330 CO 0.38 -0.88 0.80 -0.59 0.00 0.00 0.00 175.76 175.47 1smj s PHE 331 N -2.82 -0.66 0.11 0.00 -0.12 -1.22 -4.97 117.98 108.30 1smj s PHE 331 Ca 0.23 1.48 0.06 0.00 -0.05 0.00 0.00 56.93 58.65 1smj s PHE 331 Cb -0.03 0.34 -0.04 0.00 -0.63 0.00 0.00 43.02 42.66 1smj s PHE 331 CO 0.16 -0.39 -0.04 0.45 -0.05 0.00 0.00 175.22 175.35 1smj s SER 332 N -0.11 4.77 0.48 1.98 0.15 -1.25 -1.87 113.70 117.84 1smj s SER 332 Ca -0.02 -0.28 0.04 0.00 0.70 0.00 0.00 55.95 56.39 1smj s SER 332 Cb -0.04 -1.04 -0.03 0.00 -1.71 0.00 0.00 66.02 63.20 1smj s SER 332 CO 0.01 0.17 0.07 -0.76 1.20 0.00 0.00 173.24 173.93 1smj s LEU 333 N -2.35 2.60 -0.08 3.45 2.01 -0.67 0.14 118.68 123.77 1smj s LEU 333 Ca 0.24 -1.46 -0.22 0.00 0.01 0.00 0.00 54.13 52.70 1smj s LEU 333 Cb -0.11 -0.91 0.05 0.00 0.01 0.00 0.00 46.19 45.22 1smj s LEU 333 CO 0.17 -0.73 0.51 -0.72 1.01 0.00 0.00 176.35 176.58 1smj s TYR 334 N -2.79 -0.47 -0.05 0.29 1.13 -0.04 -2.66 117.35 112.77 1smj s TYR 334 Ca 0.21 0.90 -0.29 0.00 -1.41 0.00 0.00 57.07 56.48 1smj s TYR 334 Cb 0.04 0.24 -0.08 0.00 -1.10 0.00 0.00 41.96 41.06 1smj s TYR 334 CO 0.11 -0.44 2.06 0.00 -2.51 0.00 0.00 175.55 174.78 1smj s ALA 335 N -0.83 3.29 0.16 9.51 0.00 -1.03 -2.97 121.76 129.89 1smj s ALA 335 Ca -0.09 1.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.86 1smj s ALA 335 Cb -0.03 -3.93 0.09 0.00 0.00 0.00 0.00 23.12 19.26 1smj s ALA 335 CO 0.05 -2.00 1.69 -0.22 0.00 0.00 0.00 175.76 175.29 1smj h LYS 336 N 12.16 0.07 -3.16 0.00 1.63 -0.62 -1.63 116.57 125.02 1smj h LYS 336 Ca -0.47 -0.00 -0.14 0.00 -0.85 0.00 0.00 60.65 59.19 1smj h LYS 336 Cb 1.24 -0.02 -0.22 0.00 -0.60 0.00 0.00 32.23 32.64 1smj h LYS 336 CO 0.95 0.05 -0.36 -1.21 -3.45 0.00 0.00 179.45 175.42 1smj s GLU 337 N -6.19 0.52 -0.06 1.90 0.41 -1.26 -4.81 118.70 109.21 1smj s GLU 337 Ca -0.14 -0.07 -0.22 0.00 -0.41 0.00 0.00 54.97 54.14 1smj s GLU 337 Cb 0.14 0.23 -0.10 0.00 -1.78 0.00 0.00 34.13 32.62 1smj s GLU 337 CO 0.71 -0.12 0.62 -0.25 -0.49 0.00 0.00 175.26 175.72 1smj n ASP 338 N 1.81 0.15 0.00 -0.19 9.92 -1.26 -4.72 116.55 122.26 1smj n ASP 338 Ca -0.19 0.60 0.00 0.00 -0.53 0.00 0.00 54.79 54.67 1smj n ASP 338 Cb 0.56 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.57 1smj n ASP 338 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1smj n THR 339 N 1.09 0.00 -3.11 -3.53 5.66 -1.13 -4.93 114.28 108.34 1smj n THR 339 Ca 0.12 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 61.13 1smj n THR 339 Cb 0.02 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.80 1smj n THR 339 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1smj s VAL 340 N -0.39 -0.83 0.47 1.08 1.01 -1.26 -3.00 120.40 117.49 1smj s VAL 340 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 1smj s VAL 340 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 36.38 36.28 1smj s VAL 340 CO 0.00 0.00 0.98 -0.22 0.00 0.00 0.00 175.10 175.86 1smj s LEU 341 N 1.87 3.84 -0.49 3.92 2.96 -0.54 -3.29 118.68 126.96 1smj s LEU 341 Ca 0.16 1.73 0.00 0.00 -0.22 0.00 0.00 54.13 55.79 1smj s LEU 341 Cb -0.02 -4.54 0.00 0.00 0.50 0.00 0.00 46.19 42.13 1smj s LEU 341 CO -0.09 -0.53 0.00 0.61 -1.32 0.00 0.00 176.35 175.02 1smj n GLY 342 N -0.74 0.44 3.98 7.98 0.00 -1.26 -0.84 105.19 114.75 1smj n GLY 342 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1smj n GLY 342 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smj n GLY 343 N 0.16 -0.46 2.01 -0.02 0.00 -1.21 -4.76 105.19 100.90 1smj n GLY 343 Ca -0.05 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1smj n GLY 343 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1smj n GLU 344 N -4.59 0.00 -3.57 1.61 1.02 -0.76 -4.62 120.64 109.74 1smj n GLU 344 Ca 0.02 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.76 1smj n GLU 344 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.88 1smj n GLU 344 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1smj s TYR 345 N -2.00 3.54 -0.49 -0.32 2.02 -0.02 -3.40 117.35 116.67 1smj s TYR 345 Ca 0.00 -2.41 -0.43 0.00 -0.37 0.00 0.00 57.07 53.86 1smj s TYR 345 Cb 0.00 -3.44 -0.19 0.00 -0.40 0.00 0.00 41.96 37.93 1smj s TYR 345 CO 0.00 -0.90 2.11 -2.30 -1.57 0.00 0.00 175.55 172.88 1smj n PRO 346 N 3.73 0.00 -3.87 -1.71 -0.02 -1.26 -1.46 135.00 130.41 1smj n PRO 346 Ca 0.09 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.23 1smj n PRO 346 Cb 0.41 -1.48 -0.05 0.00 -0.02 0.00 0.00 33.50 32.36 1smj n PRO 346 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1smj s LEU 347 N 5.89 4.37 0.29 2.45 1.43 -1.16 -4.95 118.68 127.00 1smj s LEU 347 Ca 1.18 0.40 0.07 0.00 -1.03 0.00 0.00 54.13 54.76 1smj s LEU 347 Cb -1.48 -2.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.12 1smj s LEU 347 CO 0.65 0.27 0.26 -1.61 0.23 0.00 0.00 176.35 176.15 1smj s GLU 348 N -1.83 2.87 0.19 1.70 2.02 -1.26 -2.82 118.70 119.57 1smj s GLU 348 Ca 0.26 -1.14 -0.32 0.00 0.02 0.00 0.00 54.97 53.80 1smj s GLU 348 Cb -0.13 -2.55 -0.11 0.00 0.10 0.00 0.00 34.13 31.44 1smj s GLU 348 CO 0.17 0.26 1.66 0.21 0.02 0.00 0.00 175.26 177.58 1smj s LYS 349 N -3.93 4.16 0.00 1.61 2.20 -1.26 -2.14 119.74 120.38 1smj s LYS 349 Ca 0.37 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.49 1smj s LYS 349 Cb -0.07 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1smj s LYS 349 CO 0.26 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.97 1smj n GLY 350 N 3.89 0.35 3.68 5.54 0.00 -0.61 -4.95 105.19 113.09 1smj n GLY 350 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1smj n GLY 350 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1smj s ASP 351 N -1.99 6.68 0.72 1.61 1.11 -0.91 -4.67 116.67 119.22 1smj s ASP 351 Ca 0.00 2.32 -0.11 0.00 0.18 0.00 0.00 52.55 54.94 1smj s ASP 351 Cb 0.00 -2.55 0.02 0.00 1.07 0.00 0.00 42.92 41.46 1smj s ASP 351 CO 0.00 -0.86 1.08 -1.61 1.18 0.00 0.00 175.17 174.96 1smj s GLU 352 N 3.06 2.70 -0.09 8.23 2.02 -1.26 -2.47 118.70 130.89 1smj s GLU 352 Ca 0.72 0.69 -0.30 0.00 0.02 0.00 0.00 54.97 56.10 1smj s GLU 352 Cb -0.36 -1.98 0.07 0.00 0.10 0.00 0.00 34.13 31.96 1smj s GLU 352 CO 0.30 -1.20 0.71 -0.51 0.02 0.00 0.00 175.26 174.58 1smj s LEU 353 N -5.53 -0.65 -0.11 1.80 1.02 -1.09 -3.60 118.68 110.51 1smj s LEU 353 Ca 0.59 0.80 -0.05 0.00 0.02 0.00 0.00 54.13 55.48 1smj s LEU 353 Cb -0.13 2.48 0.06 0.00 0.02 0.00 0.00 46.19 48.61 1smj s LEU 353 CO 0.54 -0.54 0.24 -0.32 0.02 0.00 0.00 176.35 176.29 1smj s MET 354 N -0.96 0.15 -0.38 1.70 1.75 0.06 -1.68 119.30 119.95 1smj s MET 354 Ca -0.09 0.64 -0.20 0.00 -1.25 0.00 0.00 55.69 54.79 1smj s MET 354 Cb -0.01 -0.09 0.01 0.00 2.84 0.00 0.00 34.83 37.58 1smj s MET 354 CO 0.08 -0.24 0.63 0.08 -0.65 0.00 0.00 175.02 174.92 1smj s VAL 355 N 1.96 4.87 -1.36 10.11 1.01 -0.78 -1.56 120.40 134.66 1smj s VAL 355 Ca -0.03 0.41 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 1smj s VAL 355 Cb -0.11 -4.11 0.03 0.00 0.00 0.00 0.00 36.38 32.19 1smj s VAL 355 CO -0.08 -0.41 2.04 0.18 0.00 0.00 0.00 175.10 176.83 1smj n LEU 356 N 6.10 5.93 -0.28 3.92 4.77 -0.86 -3.40 117.00 133.19 1smj n LEU 356 Ca -0.02 -3.96 -0.07 0.00 -0.03 0.00 0.00 56.01 51.93 1smj n LEU 356 Cb 0.48 -1.66 -0.07 0.00 -2.33 0.00 0.00 43.42 39.85 1smj n LEU 356 CO 0.50 0.61 0.40 -0.38 -1.33 0.00 0.00 177.39 177.19 1smj n ILE 357 N 5.68 -0.46 1.26 -0.08 5.41 -0.76 0.12 119.36 130.54 1smj n ILE 357 Ca 0.51 1.86 0.11 0.00 1.00 0.00 0.00 62.75 66.22 1smj n ILE 357 Cb 0.42 -2.32 0.61 0.00 -0.71 0.00 0.00 39.64 37.64 1smj n ILE 357 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1smj n PRO 358 N -4.63 0.60 -0.07 0.38 -0.04 -1.26 -0.70 135.00 129.28 1smj n PRO 358 Ca 0.01 0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 1smj n PRO 358 Cb 0.18 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.05 1smj n PRO 358 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1smj h GLN 359 N 0.00 0.00 -0.62 0.54 1.08 0.70 -3.36 115.11 113.46 1smj h GLN 359 Ca 0.00 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 57.29 1smj h GLN 359 Cb 0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 27.48 27.36 1smj h GLN 359 CO 0.00 0.67 -0.45 1.25 -0.95 0.00 0.00 178.83 179.34 1smj h LEU 360 N -1.00 -1.58 0.00 1.46 5.85 0.91 0.30 115.31 121.25 1smj h LEU 360 Ca -0.07 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1smj h LEU 360 Cb 0.78 0.71 0.00 0.00 0.37 0.00 0.00 40.66 42.52 1smj h LEU 360 CO -0.04 -0.33 0.03 1.41 -0.34 0.00 0.00 178.44 179.17 1smj n HIS 361 N -5.40 0.00 0.00 1.25 8.25 -1.10 -1.72 115.22 116.50 1smj n HIS 361 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1smj n HIS 361 Cb 0.34 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.43 1smj n HIS 361 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1smj n ARG 362 N -0.77 2.52 -0.70 -0.41 1.74 0.88 -4.87 116.66 115.05 1smj n ARG 362 Ca 0.00 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.75 1smj n ARG 362 Cb 0.03 -0.74 -0.06 0.00 -1.02 0.00 0.00 32.46 30.67 1smj n ARG 362 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1smj n ASP 363 N -0.96 0.43 0.17 0.55 -0.08 -0.25 -4.75 116.55 111.67 1smj n ASP 363 Ca 0.00 0.40 0.12 0.00 -1.51 0.00 0.00 54.79 53.80 1smj n ASP 363 Cb 0.12 -0.48 0.16 0.00 2.34 0.00 0.00 41.12 43.26 1smj n ASP 363 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 1smj h LYS 364 N 4.54 0.00 -0.16 -0.67 -0.00 -1.89 -3.10 116.57 115.30 1smj h LYS 364 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.57 1smj h LYS 364 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.99 1smj h LYS 364 CO 0.58 0.00 0.00 0.25 -0.00 0.00 0.00 179.45 180.28 1smj n THR 365 N -2.87 0.00 -0.01 0.07 -2.24 -1.26 0.19 114.28 108.16 1smj n THR 365 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1smj n THR 365 Cb 0.52 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1smj n THR 365 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1smj n ILE 366 N -0.27 0.00 -1.01 2.28 2.08 -1.17 -4.81 119.36 116.47 1smj n ILE 366 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1smj n ILE 366 Cb 0.04 0.03 0.00 0.00 -0.75 0.00 0.00 39.64 38.96 1smj n ILE 366 CO 0.00 0.00 0.00 0.79 0.56 0.00 0.00 176.55 177.90 1smj n TRP 367 N 0.00 0.00 -0.01 1.39 7.02 -1.12 -4.98 117.44 119.74 1smj n TRP 367 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1smj n TRP 367 Cb 0.00 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1smj n TRP 367 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1smj n GLY 368 N 0.00 -2.72 2.32 6.99 0.00 0.49 -4.32 105.19 107.96 1smj n GLY 368 Ca 0.00 -1.37 -0.00 0.00 0.00 0.00 0.00 46.02 44.65 1smj n GLY 368 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1smj n ASP 369 N -1.74 0.00 -0.26 1.61 8.00 -1.25 -0.84 116.55 122.07 1smj n ASP 369 Ca -0.00 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.18 1smj n ASP 369 Cb 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1smj n ASP 369 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1smj n ASP 370 N 2.65 0.00 -0.09 -2.24 5.75 -1.26 -4.97 116.55 116.38 1smj n ASP 370 Ca 0.00 -0.82 0.07 0.00 -0.01 0.00 0.00 54.79 54.03 1smj n ASP 370 Cb 0.00 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.23 1smj n ASP 370 CO 0.00 0.00 0.00 1.33 -0.11 0.00 0.00 177.20 178.42 1smj n VAL 371 N 0.00 -0.12 0.38 2.12 0.24 -0.02 0.39 118.33 121.32 1smj n VAL 371 Ca 0.00 0.58 0.06 0.00 -2.04 0.00 0.00 64.34 62.94 1smj n VAL 371 Cb 0.41 -0.91 0.28 0.00 -1.47 0.00 0.00 33.84 32.15 1smj n VAL 371 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1smj n GLU 372 N -3.79 0.03 -3.48 7.34 4.07 -1.26 -4.88 120.64 118.67 1smj n GLU 372 Ca 0.09 0.33 -0.23 0.00 -0.06 0.00 0.00 57.16 57.30 1smj n GLU 372 Cb 0.32 -1.56 -0.01 0.00 -0.06 0.00 0.00 31.44 30.12 1smj n GLU 372 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1smj s GLU 373 N -3.06 3.43 -0.95 5.31 0.41 0.16 -5.02 118.70 118.98 1smj s GLU 373 Ca 0.05 -0.46 -0.11 0.00 -0.41 0.00 0.00 54.97 54.04 1smj s GLU 373 Cb 0.08 -2.71 0.24 0.00 -1.78 0.00 0.00 34.13 29.96 1smj s GLU 373 CO 0.23 0.17 0.92 0.12 -0.49 0.00 0.00 175.26 176.21 1smj s PHE 374 N -2.26 3.99 -0.62 1.61 5.36 -1.26 -4.94 117.98 119.86 1smj s PHE 374 Ca 0.39 -2.33 0.03 0.00 -0.96 0.00 0.00 56.93 54.06 1smj s PHE 374 Cb -0.09 -3.81 0.15 0.00 -0.34 0.00 0.00 43.02 38.93 1smj s PHE 374 CO 0.35 -0.97 0.40 1.03 -1.46 0.00 0.00 175.22 174.57 1smj s ARG 375 N -0.50 2.33 0.26 10.12 0.52 -1.26 -4.96 118.95 125.46 1smj s ARG 375 Ca 0.24 -2.87 -0.05 0.00 -0.52 0.00 0.00 55.73 52.53 1smj s ARG 375 Cb -0.10 -3.47 0.52 0.00 0.52 0.00 0.00 34.95 32.42 1smj s ARG 375 CO -0.09 -1.18 1.61 -1.35 0.02 0.00 0.00 175.30 174.31 1smj h PRO 376 N 6.23 0.07 -0.77 3.54 0.11 -1.92 0.55 132.00 139.81 1smj h PRO 376 Ca 0.01 -0.00 0.22 0.00 0.11 0.00 0.00 66.00 66.34 1smj h PRO 376 Cb 0.86 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 1smj h PRO 376 CO 0.72 0.05 1.06 0.39 -0.21 0.00 0.00 178.00 180.00 1smj n GLU 377 N -5.40 0.02 0.31 1.05 4.71 -1.26 0.12 120.64 120.18 1smj n GLU 377 Ca 0.16 0.90 0.14 0.00 -0.01 0.00 0.00 57.16 58.35 1smj n GLU 377 Cb 0.55 -2.27 0.72 0.00 -1.01 0.00 0.00 31.44 29.43 1smj n GLU 377 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1smj h ARG 378 N 0.00 0.00 -1.53 3.49 3.08 -0.30 -2.55 114.38 116.57 1smj h ARG 378 Ca 0.37 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.81 1smj h ARG 378 Cb 2.49 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 32.14 1smj h ARG 378 CO -0.00 0.00 -0.51 1.19 -1.07 0.00 0.00 179.97 179.58 1smj n PHE 379 N -2.90 3.33 -0.09 3.04 0.99 0.31 -4.77 117.46 117.37 1smj n PHE 379 Ca -0.01 -2.97 -0.10 0.00 -0.00 0.00 0.00 57.45 54.37 1smj n PHE 379 Cb 0.47 -0.24 -0.04 0.00 -1.00 0.00 0.00 39.48 38.68 1smj n PHE 379 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 1smj n GLU 380 N -0.50 0.50 -3.25 -1.08 4.07 -0.96 -4.71 120.64 114.71 1smj n GLU 380 Ca 0.41 0.38 -0.45 0.00 -0.06 0.00 0.00 57.16 57.45 1smj n GLU 380 Cb 0.63 -1.58 -0.00 0.00 -0.06 0.00 0.00 31.44 30.43 1smj n GLU 380 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1smj s ASN 381 N -6.05 7.19 0.00 4.31 2.47 -1.26 -4.93 114.94 116.67 1smj s ASN 381 Ca -0.24 -3.32 0.00 0.00 0.42 0.00 0.00 52.86 49.72 1smj s ASN 381 Cb 0.04 -2.25 0.00 0.00 -1.45 0.00 0.00 41.25 37.59 1smj s ASN 381 CO 0.36 -0.43 0.62 -2.65 -3.72 0.00 0.00 177.10 171.28 1smj n PRO 382 N 3.54 0.00 0.02 0.43 -0.02 -1.26 -0.47 135.00 137.24 1smj n PRO 382 Ca 0.25 0.13 -0.11 0.00 -2.02 0.00 0.00 63.50 61.75 1smj n PRO 382 Cb 0.41 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.25 1smj n PRO 382 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1smj h SER 383 N 0.00 0.10 0.09 2.55 0.87 -1.97 -3.35 113.55 111.84 1smj h SER 383 Ca 0.00 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1smj h SER 383 Cb 0.00 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1smj h SER 383 CO 0.00 1.14 0.00 0.00 -0.53 0.00 0.00 176.83 177.44 1smj n ALA 384 N -2.55 2.57 -2.64 6.23 0.00 0.38 -4.63 120.51 119.88 1smj n ALA 384 Ca -0.13 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 52.73 1smj n ALA 384 Cb 1.02 -1.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.92 1smj n ALA 384 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1smj s ILE 385 N -2.10 5.06 0.65 0.00 1.09 -1.26 -5.07 121.20 119.57 1smj s ILE 385 Ca 0.42 1.00 -0.16 0.00 -1.10 0.00 0.00 60.65 60.81 1smj s ILE 385 Cb 0.20 -3.87 -0.00 0.00 -1.06 0.00 0.00 42.46 37.73 1smj s ILE 385 CO 0.36 0.11 1.14 -2.84 -0.10 0.00 0.00 174.94 173.61 1smj s PRO 386 N 2.06 2.75 0.63 2.79 0.02 -1.26 -4.95 135.00 137.04 1smj s PRO 386 Ca 0.24 1.55 -0.16 0.00 0.02 0.00 0.00 61.00 62.65 1smj s PRO 386 Cb -0.16 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 1smj s PRO 386 CO 0.09 -1.32 1.11 -1.14 -0.33 0.00 0.00 177.00 175.42 1smj s GLN 387 N -3.86 2.96 0.00 5.54 -0.44 -1.26 -3.21 119.66 119.38 1smj s GLN 387 Ca 0.70 1.42 0.00 0.00 -2.50 0.00 0.00 55.36 54.98 1smj s GLN 387 Cb -0.24 -1.97 0.00 0.00 -1.64 0.00 0.00 33.01 29.16 1smj s GLN 387 CO 0.39 -1.13 0.00 0.72 0.50 0.00 0.00 175.29 175.77 1smj n HIS 388 N -2.16 0.00 0.01 1.67 8.25 -1.26 -4.88 115.22 116.85 1smj n HIS 388 Ca 0.10 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.59 1smj n HIS 388 Cb 0.52 -0.46 -0.10 0.00 1.12 0.00 0.00 29.99 31.07 1smj n HIS 388 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1smj n ALA 389 N 1.00 2.14 -3.50 -1.41 0.00 -1.20 -4.56 120.51 112.98 1smj n ALA 389 Ca 0.00 -0.61 -0.27 0.00 0.00 0.00 0.00 53.44 52.56 1smj n ALA 389 Cb 0.06 -0.82 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 1smj n ALA 389 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1smj n PHE 390 N -2.71 0.65 -1.49 0.00 7.35 -1.26 -4.36 117.46 115.64 1smj n PHE 390 Ca -0.11 -3.68 -0.28 0.00 -0.76 0.00 0.00 57.45 52.62 1smj n PHE 390 Cb 0.79 -0.13 -0.03 0.00 0.35 0.00 0.00 39.48 40.46 1smj n PHE 390 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1smj n LYS 391 N 2.23 2.41 0.00 -4.13 5.02 -1.26 -4.76 118.16 117.66 1smj n LYS 391 Ca 0.26 -2.50 0.09 0.00 -2.02 0.00 0.00 58.31 54.15 1smj n LYS 391 Cb 0.45 -2.11 0.44 0.00 -0.02 0.00 0.00 35.03 33.79 1smj n LYS 391 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1smj n PRO 392 N 0.51 0.18 -1.00 1.97 -0.04 -1.26 -3.02 135.00 132.34 1smj n PRO 392 Ca 0.48 0.14 0.01 0.00 -0.04 0.00 0.00 63.50 64.09 1smj n PRO 392 Cb 0.51 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.62 1smj n PRO 392 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1smj n PHE 393 N -1.36 0.41 -0.17 0.54 3.72 -1.26 -4.83 117.46 114.51 1smj n PHE 393 Ca 0.07 -1.47 0.00 0.00 -0.05 0.00 0.00 57.45 56.00 1smj n PHE 393 Cb 0.17 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 1smj n PHE 393 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1smj n GLY 394 N -0.81 -2.89 2.99 1.37 0.00 -1.17 -2.20 105.19 102.50 1smj n GLY 394 Ca 0.20 -1.72 -0.24 0.00 0.00 0.00 0.00 46.02 44.26 1smj n GLY 394 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1smj s ASN 395 N -1.53 1.69 0.00 1.61 2.47 -1.17 -4.80 114.94 113.20 1smj s ASN 395 Ca 0.00 -0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.01 1smj s ASN 395 Cb 0.00 -0.77 0.00 0.00 -1.45 0.00 0.00 41.25 39.03 1smj s ASN 395 CO 0.00 0.01 0.00 0.61 -3.72 0.00 0.00 177.10 174.00 1smj n GLY 396 N 3.96 0.44 0.22 1.21 0.00 -1.26 -3.47 105.19 106.28 1smj n GLY 396 Ca -0.22 -1.08 0.10 0.00 0.00 0.00 0.00 46.02 44.82 1smj n GLY 396 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1smj h GLN 397 N 0.00 0.00 -3.24 1.61 3.07 -2.02 -3.00 115.11 111.52 1smj h GLN 397 Ca 0.00 0.00 -0.80 0.00 0.09 0.00 0.00 58.65 57.94 1smj h GLN 397 Cb 0.00 0.00 -0.29 0.00 0.08 0.00 0.00 27.48 27.27 1smj h GLN 397 CO 0.00 0.20 0.56 0.54 0.09 0.00 0.00 178.83 180.22 1smj n ARG 398 N -3.28 3.90 -2.24 0.06 5.12 -1.23 -4.98 116.66 114.02 1smj n ARG 398 Ca 0.01 -4.51 -0.02 0.00 -1.93 0.00 0.00 57.85 51.40 1smj n ARG 398 Cb 0.48 -2.52 -0.01 0.00 -1.16 0.00 0.00 32.46 29.25 1smj n ARG 398 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1smj n ALA 399 N 2.02 0.07 -2.43 7.54 0.00 -1.14 -3.06 120.51 123.52 1smj n ALA 399 Ca 0.25 -0.21 -0.40 0.00 0.00 0.00 0.00 53.44 53.07 1smj n ALA 399 Cb 0.36 0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 1smj n ALA 399 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smj h ILE 401 N 6.25 0.21 -0.14 0.00 1.08 -1.96 -2.49 117.51 120.46 1smj h ILE 401 Ca -0.27 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1smj h ILE 401 Cb 1.08 0.18 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 1smj h ILE 401 CO 1.26 0.01 0.00 0.61 -0.69 0.00 0.00 178.15 179.33 1smj n GLY 402 N -1.79 4.16 0.00 5.37 0.00 -1.26 -4.85 105.19 106.82 1smj n GLY 402 Ca 0.35 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1smj n GLY 402 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1smj n GLN 403 N -0.78 0.00 -0.39 1.61 7.27 -0.94 0.13 117.38 124.28 1smj n GLN 403 Ca 0.16 0.73 0.34 0.00 0.07 0.00 0.00 57.00 58.30 1smj n GLN 403 Cb 0.69 -1.30 0.57 0.00 2.41 0.00 0.00 30.24 32.61 1smj n GLN 403 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1smj n GLN 404 N -2.10 -0.03 -0.09 3.69 -0.06 -1.26 0.20 117.38 117.73 1smj n GLN 404 Ca 0.00 1.10 -0.10 0.00 -2.00 0.00 0.00 57.00 55.99 1smj n GLN 404 Cb 0.00 -2.13 -0.03 0.00 -4.06 0.00 0.00 30.24 24.02 1smj n GLN 404 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 1smj h PHE 405 N 0.00 0.45 0.90 3.69 3.04 -0.65 -0.29 116.94 124.08 1smj h PHE 405 Ca 0.76 -0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.62 1smj h PHE 405 Cb 2.38 -0.13 0.01 0.00 2.56 0.00 0.00 35.95 40.76 1smj h PHE 405 CO -0.01 0.48 -0.43 0.00 -2.02 0.00 0.00 178.31 176.33 1smj h ALA 406 N 0.93 -1.29 -0.93 2.41 0.00 0.21 -1.13 119.26 119.45 1smj h ALA 406 Ca 0.09 -0.26 0.23 0.00 0.00 0.00 0.00 54.91 54.97 1smj h ALA 406 Cb 0.23 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1smj h ALA 406 CO -0.00 -1.20 0.63 -0.07 0.00 0.00 0.00 179.25 178.60 1smj h LEU 407 N -1.24 0.33 0.00 0.00 4.07 -0.55 0.90 115.31 118.82 1smj h LEU 407 Ca -0.12 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1smj h LEU 407 Cb 0.92 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.65 1smj h LEU 407 CO 0.20 0.12 0.00 1.57 -1.08 0.00 0.00 178.44 179.25 1smj n HIS 408 N -4.48 0.00 -0.09 1.13 -0.00 -0.12 -1.82 115.22 109.84 1smj n HIS 408 Ca 0.20 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.40 1smj n HIS 408 Cb 0.79 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.69 1smj n HIS 408 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1smj n GLU 409 N -0.47 -0.03 0.16 1.57 2.13 -0.70 -0.79 120.64 122.51 1smj n GLU 409 Ca 0.00 0.38 -0.06 0.00 0.66 0.00 0.00 57.16 58.14 1smj n GLU 409 Cb 0.00 -0.57 -0.03 0.00 0.27 0.00 0.00 31.44 31.11 1smj n GLU 409 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1smj h ALA 410 N 0.46 -1.02 -0.90 4.31 0.00 0.88 0.24 119.26 123.23 1smj h ALA 410 Ca 0.11 -0.09 0.23 0.00 0.00 0.00 0.00 54.91 55.16 1smj h ALA 410 Cb 0.17 0.15 -0.16 0.00 0.00 0.00 0.00 17.79 17.95 1smj h ALA 410 CO -0.25 -0.99 0.01 1.15 0.00 0.00 0.00 179.25 179.17 1smj h THR 411 N -0.43 0.15 -0.54 0.00 2.02 -0.89 0.94 112.91 114.17 1smj h THR 411 Ca -0.04 -0.02 0.04 0.00 0.77 0.00 0.00 66.41 67.16 1smj h THR 411 Cb 0.31 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.77 1smj h THR 411 CO 0.07 0.01 0.30 0.25 0.37 0.00 0.00 175.52 176.52 1smj h LEU 412 N 0.06 0.47 -0.04 2.58 5.85 -0.69 -0.52 115.31 123.01 1smj h LEU 412 Ca 0.52 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 59.10 1smj h LEU 412 Cb 1.00 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.96 1smj h LEU 412 CO -0.82 0.32 -0.57 1.62 -0.34 0.00 0.00 178.44 178.65 1smj h VAL 413 N 0.59 1.40 -0.88 1.05 3.04 0.15 -1.23 116.25 120.37 1smj h VAL 413 Ca 0.23 -1.98 0.11 0.00 -1.01 0.00 0.00 66.70 64.05 1smj h VAL 413 Cb 0.08 2.44 -0.08 0.00 -2.01 0.00 0.00 31.29 31.72 1smj h VAL 413 CO -0.13 0.58 0.51 0.25 -1.01 0.00 0.00 177.57 177.78 1smj h LEU 414 N -0.01 0.72 0.01 3.16 6.46 0.10 -1.35 115.31 124.40 1smj h LEU 414 Ca -0.06 0.06 0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1smj h LEU 414 Cb 1.25 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 41.08 1smj h LEU 414 CO 0.11 0.38 -0.18 1.23 -0.62 0.00 0.00 178.44 179.37 1smj h GLY 415 N 0.82 -1.28 1.14 3.75 0.00 -0.82 0.37 103.07 107.04 1smj h GLY 415 Ca 0.44 0.61 0.06 0.00 0.00 0.00 0.00 47.33 48.44 1smj h GLY 415 CO -0.28 -0.42 0.43 -0.33 0.00 0.00 0.00 176.54 175.94 1smj h MET 416 N -0.23 0.65 0.51 4.80 2.86 -0.32 -2.01 114.93 121.19 1smj h MET 416 Ca 0.00 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1smj h MET 416 Cb 0.25 -0.15 0.01 0.00 0.06 0.00 0.00 31.60 31.77 1smj h MET 416 CO -0.12 0.43 -0.25 0.52 1.06 0.00 0.00 176.91 178.56 1smj h MET 417 N 0.67 -0.66 -0.75 1.72 2.07 -0.74 -2.30 114.93 114.93 1smj h MET 417 Ca 0.28 0.05 0.13 0.00 -2.07 0.00 0.00 59.70 58.08 1smj h MET 417 Cb 0.25 0.15 -0.09 0.00 -1.87 0.00 0.00 31.60 30.04 1smj h MET 417 CO -0.09 -0.36 0.34 -0.07 1.07 0.00 0.00 176.91 177.81 1smj h LEU 418 N -0.94 0.38 0.46 1.22 3.38 0.40 -1.89 115.31 118.33 1smj h LEU 418 Ca -0.07 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1smj h LEU 418 Cb 0.61 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1smj h LEU 418 CO 0.12 0.18 -0.37 0.50 0.09 0.00 0.00 178.44 178.95 1smj h LYS 419 N 0.53 -0.80 -0.00 1.13 3.64 -1.38 -3.30 116.57 116.39 1smj h LYS 419 Ca 0.40 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1smj h LYS 419 Cb 0.54 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1smj h LYS 419 CO -0.35 -0.53 -0.07 0.72 -2.27 0.00 0.00 179.45 176.95 1smj n HIS 420 N -5.49 0.00 -3.93 1.91 8.25 -0.87 -4.79 115.22 110.30 1smj n HIS 420 Ca -0.11 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.23 1smj n HIS 420 Cb 0.38 -0.23 -0.13 0.00 1.12 0.00 0.00 29.99 31.13 1smj n HIS 420 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1smj s PHE 421 N -2.54 0.14 -0.25 4.41 0.08 -0.75 -0.07 117.98 119.00 1smj s PHE 421 Ca 0.28 -0.18 -0.12 0.00 0.12 0.00 0.00 56.93 57.03 1smj s PHE 421 Cb 0.20 -0.10 -0.05 0.00 -0.57 0.00 0.00 43.02 42.51 1smj s PHE 421 CO 0.48 -0.06 0.21 -0.51 -0.10 0.00 0.00 175.22 175.24 1smj s ASP 422 N -0.51 6.13 -0.23 1.36 1.01 0.17 -4.68 116.67 119.93 1smj s ASP 422 Ca -0.05 0.13 -0.17 0.00 0.71 0.00 0.00 52.55 53.17 1smj s ASP 422 Cb -0.04 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.73 1smj s ASP 422 CO -0.00 -0.01 0.47 -0.36 0.21 0.00 0.00 175.17 175.47 1smj s PHE 423 N 1.39 3.32 -0.26 4.23 0.08 -1.26 0.12 117.98 125.60 1smj s PHE 423 Ca 0.09 0.64 -0.05 0.00 0.12 0.00 0.00 56.93 57.74 1smj s PHE 423 Cb -0.15 -2.63 0.01 0.00 -0.57 0.00 0.00 43.02 39.68 1smj s PHE 423 CO 0.07 -0.15 0.02 -2.00 -0.10 0.00 0.00 175.22 173.07 1smj s GLU 424 N 1.80 3.15 0.00 0.44 2.12 0.24 -4.97 118.70 121.48 1smj s GLU 424 Ca 0.21 -0.79 -0.02 0.00 0.36 0.00 0.00 54.97 54.72 1smj s GLU 424 Cb -0.15 -3.20 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 1smj s GLU 424 CO 0.09 -0.35 0.90 -3.47 -0.54 0.00 0.00 175.26 171.89 1smj n ASP 425 N 4.81 0.06 -0.48 -1.70 -0.08 -1.26 -0.14 116.55 117.76 1smj n ASP 425 Ca -0.16 -1.81 0.00 0.00 -1.51 0.00 0.00 54.79 51.31 1smj n ASP 425 Cb 0.49 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1smj n ASP 425 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1smj n HIS 426 N 4.93 0.00 -1.32 -0.67 1.44 -1.26 -1.73 115.22 116.61 1smj n HIS 426 Ca 0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.74 1smj n HIS 426 Cb 0.03 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.13 1smj n HIS 426 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1smj n THR 427 N 0.39 0.00 -2.63 0.61 -2.24 -1.26 -5.00 114.28 104.15 1smj n THR 427 Ca 0.00 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 1smj n THR 427 Cb 0.04 0.10 -0.00 0.00 -2.10 0.00 0.00 70.33 68.37 1smj n THR 427 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1smj n ASN 428 N 0.00 -4.61 0.00 3.42 5.15 -0.70 -4.76 115.26 113.75 1smj n ASN 428 Ca 0.00 0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1smj n ASN 428 Cb 0.10 -3.85 0.00 0.00 -0.53 0.00 0.00 39.78 35.50 1smj n ASN 428 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1smj n TYR 429 N -3.74 0.00 -4.31 1.20 9.36 -1.26 -4.92 117.16 113.49 1smj n TYR 429 Ca -0.15 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.72 1smj n TYR 429 Cb 0.62 0.00 -0.09 0.00 -0.63 0.00 0.00 39.34 39.24 1smj n TYR 429 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1smj s GLU 430 N 0.00 3.08 -0.19 2.98 2.56 -1.26 -5.05 118.70 120.82 1smj s GLU 430 Ca 0.00 -0.37 -0.29 0.00 0.00 0.00 0.00 54.97 54.30 1smj s GLU 430 Cb 0.00 -2.85 -0.02 0.00 2.00 0.00 0.00 34.13 33.26 1smj s GLU 430 CO 0.00 0.69 1.42 -1.17 -0.56 0.00 0.00 175.26 175.64 1smj s LEU 431 N -0.84 4.08 -0.34 2.70 2.96 -1.26 -5.01 118.68 120.96 1smj s LEU 431 Ca 0.13 1.67 -0.02 0.00 -0.22 0.00 0.00 54.13 55.69 1smj s LEU 431 Cb -0.11 -3.54 0.07 0.00 0.50 0.00 0.00 46.19 43.11 1smj s LEU 431 CO 0.02 -0.97 0.08 -0.62 -1.32 0.00 0.00 176.35 173.54 1smj s ASP 432 N 2.92 5.03 -0.46 3.68 2.15 -1.26 -5.05 116.67 123.68 1smj s ASP 432 Ca 0.62 -1.61 -0.19 0.00 0.43 0.00 0.00 52.55 51.80 1smj s ASP 432 Cb -0.23 -1.75 0.04 0.00 -0.30 0.00 0.00 42.92 40.67 1smj s ASP 432 CO 0.22 -0.37 0.57 -0.63 -0.17 0.00 0.00 175.17 174.79 1smj s ILE 433 N 1.19 4.93 0.04 4.11 1.01 -1.26 0.18 121.20 131.40 1smj s ILE 433 Ca 0.01 -0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 1smj s ILE 433 Cb -0.21 -4.18 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 1smj s ILE 433 CO -0.03 -0.61 1.17 -0.75 0.00 0.00 0.00 174.94 174.72 1smj s LYS 434 N 2.53 4.44 -0.29 2.79 2.20 0.68 -4.83 119.74 127.25 1smj s LYS 434 Ca 0.16 1.71 -0.17 0.00 -0.36 0.00 0.00 55.97 57.32 1smj s LYS 434 Cb -0.17 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 32.73 1smj s LYS 434 CO 0.15 -0.26 0.45 -1.21 -0.36 0.00 0.00 175.35 174.12 1smj s GLU 435 N 1.23 3.92 -0.56 4.03 2.02 -1.24 -2.69 118.70 125.41 1smj s GLU 435 Ca 0.57 0.07 0.06 0.00 0.02 0.00 0.00 54.97 55.69 1smj s GLU 435 Cb -0.28 -3.70 0.31 0.00 0.10 0.00 0.00 34.13 30.56 1smj s GLU 435 CO 0.28 -0.40 0.84 0.25 0.02 0.00 0.00 175.26 176.25 1smj n THR 436 N 5.21 2.27 0.00 3.63 -2.24 -1.26 -4.95 114.28 116.94 1smj n THR 436 Ca -0.06 -5.27 0.00 0.00 -2.27 0.00 0.00 64.05 56.45 1smj n THR 436 Cb 0.50 -1.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 1smj n THR 436 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1smj n LEU 437 N 0.23 0.00 -4.54 3.22 4.77 -1.26 -4.76 117.00 114.66 1smj n LEU 437 Ca 0.29 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.93 1smj n LEU 437 Cb 0.44 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.63 1smj n LEU 437 CO 0.34 0.00 0.30 0.35 -1.33 0.00 0.00 177.39 177.04 1smj n THR 438 N 0.00 1.48 -4.55 -5.08 -2.24 -1.26 -4.65 114.28 97.98 1smj n THR 438 Ca 0.00 -0.28 -0.33 0.00 -2.27 0.00 0.00 64.05 61.17 1smj n THR 438 Cb 0.00 -0.89 -0.11 0.00 -2.10 0.00 0.00 70.33 67.23 1smj n THR 438 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1smj s LEU 439 N -2.49 3.14 -0.22 3.22 1.43 -1.10 -4.44 118.68 118.23 1smj s LEU 439 Ca 0.67 -0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 53.51 1smj s LEU 439 Cb -0.29 -1.75 0.06 0.00 0.03 0.00 0.00 46.19 44.24 1smj s LEU 439 CO 0.57 0.32 0.55 -0.75 0.23 0.00 0.00 176.35 177.28 1smj s LYS 440 N -1.12 0.60 0.03 1.70 2.20 -1.09 -4.65 119.74 117.41 1smj s LYS 440 Ca 0.15 0.89 -0.31 0.00 -0.36 0.00 0.00 55.97 56.33 1smj s LYS 440 Cb -0.11 0.19 -0.10 0.00 -1.51 0.00 0.00 37.83 36.30 1smj s LYS 440 CO 0.04 -0.11 1.94 -2.30 -0.36 0.00 0.00 175.35 174.56 1smj n PRO 441 N 3.51 2.77 -3.61 4.03 -0.02 -1.26 -0.23 135.00 140.18 1smj n PRO 441 Ca -0.18 1.01 -0.37 0.00 -2.02 0.00 0.00 63.50 61.95 1smj n PRO 441 Cb 0.57 -2.95 -0.06 0.00 -0.02 0.00 0.00 33.50 31.04 1smj n PRO 441 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1smj s GLU 442 N 4.16 3.76 -1.12 -0.52 2.12 0.49 -4.24 118.70 123.35 1smj s GLU 442 Ca 0.89 0.20 0.00 0.00 0.36 0.00 0.00 54.97 56.42 1smj s GLU 442 Cb -0.48 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 30.77 1smj s GLU 442 CO 0.43 0.67 0.00 0.41 -0.54 0.00 0.00 175.26 176.22 1smj n GLY 443 N 1.51 1.13 3.60 -1.50 0.00 -1.26 -4.49 105.19 104.18 1smj n GLY 443 Ca -0.13 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 1smj n GLY 443 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1smj s PHE 444 N -2.20 2.39 0.25 1.61 5.36 -1.26 -4.99 117.98 119.13 1smj s PHE 444 Ca 0.00 0.67 0.11 0.00 -0.96 0.00 0.00 56.93 56.75 1smj s PHE 444 Cb 0.00 -4.31 -0.05 0.00 -0.34 0.00 0.00 43.02 38.33 1smj s PHE 444 CO 0.00 -2.00 -0.13 0.14 -1.46 0.00 0.00 175.22 171.77 1smj s VAL 445 N 5.46 2.87 0.20 3.12 -7.23 -1.26 -1.91 120.40 121.65 1smj s VAL 445 Ca 0.62 -2.10 -0.11 0.00 -1.81 0.00 0.00 61.98 58.58 1smj s VAL 445 Cb -0.14 -2.49 -0.00 0.00 0.56 0.00 0.00 36.38 34.31 1smj s VAL 445 CO 0.33 -0.32 0.38 0.68 -0.31 0.00 0.00 175.10 175.86 1smj s VAL 446 N -2.23 0.03 -0.13 1.32 -7.23 -1.11 -4.64 120.40 106.41 1smj s VAL 446 Ca 0.29 -1.34 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 1smj s VAL 446 Cb -0.06 -1.97 0.01 0.00 0.56 0.00 0.00 36.38 34.91 1smj s VAL 446 CO 0.16 -0.14 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.85 1smj s LYS 447 N -3.98 2.83 -0.30 4.82 2.20 0.80 -0.12 119.74 125.98 1smj s LYS 447 Ca 0.19 -0.79 -0.02 0.00 -0.36 0.00 0.00 55.97 55.00 1smj s LYS 447 Cb 0.01 -2.30 0.05 0.00 -1.51 0.00 0.00 37.83 34.08 1smj s LYS 447 CO 0.04 -0.02 -0.00 0.00 -0.36 0.00 0.00 175.35 175.00 1smj s ALA 448 N 0.84 2.81 0.06 3.13 0.00 -1.26 0.79 121.76 128.12 1smj s ALA 448 Ca -0.07 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.15 1smj s ALA 448 Cb -0.15 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1smj s ALA 448 CO -0.01 -1.25 0.15 0.15 0.00 0.00 0.00 175.76 174.79 1smj s LYS 449 N 1.26 3.19 -0.13 0.00 -0.14 0.32 -4.91 119.74 119.33 1smj s LYS 449 Ca -0.05 -0.53 -0.29 0.00 -1.36 0.00 0.00 55.97 53.73 1smj s LYS 449 Cb -0.20 -2.91 -0.02 0.00 -1.68 0.00 0.00 37.83 33.03 1smj s LYS 449 CO -0.01 0.60 1.22 -1.12 -0.76 0.00 0.00 175.35 175.28 1smj s SER 450 N -2.37 7.00 0.00 2.83 0.01 -1.26 -0.66 113.70 119.25 1smj s SER 450 Ca 0.31 1.71 0.00 0.00 1.31 0.00 0.00 55.95 59.29 1smj s SER 450 Cb -0.13 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1smj s SER 450 CO 0.24 -0.68 0.62 0.29 0.41 0.00 0.00 173.24 174.11 1smj n LYS 451 N 6.04 0.99 -3.45 12.44 5.02 0.89 -4.89 118.16 135.21 1smj n LYS 451 Ca 0.13 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.26 1smj n LYS 451 Cb 0.45 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 1smj n LYS 451 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1smj n LYS 452 N 0.12 -0.90 -4.13 1.97 5.02 -1.26 -4.85 118.16 114.13 1smj n LYS 452 Ca 0.00 -0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 55.90 1smj n LYS 452 Cb 0.31 -1.26 -0.12 0.00 -0.02 0.00 0.00 35.03 33.93 1smj n LYS 452 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1smj s ILE 453 N -3.81 4.08 1.07 -0.18 1.01 -1.26 -5.13 121.20 116.98 1smj s ILE 453 Ca 0.06 -0.28 -0.13 0.00 0.00 0.00 0.00 60.65 60.31 1smj s ILE 453 Cb -0.03 -2.83 0.23 0.00 0.01 0.00 0.00 42.46 39.83 1smj s ILE 453 CO 0.43 0.44 1.07 -2.16 0.00 0.00 0.00 174.94 174.72 1smj s PRO 454 N 0.78 -0.12 0.00 2.79 0.04 -1.26 -4.99 135.00 132.24 1smj s PRO 454 Ca 0.01 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.64 1smj s PRO 454 Cb -0.14 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1smj s PRO 454 CO 0.02 -3.12 0.00 1.47 0.04 0.00 0.00 177.00 175.41