#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 4.19 -0.21 12.58 1.01 -1.26 -4.60 121.20 132.91 1smj s ILE 2 Ca 0.00 1.30 -0.05 0.00 0.00 0.00 0.00 60.65 61.91 1smj s ILE 2 Cb 0.00 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 1smj s ILE 2 CO 0.00 -0.35 -0.01 -0.54 0.00 0.00 0.00 174.94 174.04 1smj s LYS 3 N -3.36 3.53 0.14 2.79 -0.14 0.25 -5.05 119.74 117.89 1smj s LYS 3 Ca 0.63 -0.56 -0.35 0.00 -1.36 0.00 0.00 55.97 54.34 1smj s LYS 3 Cb -0.12 -3.07 -0.15 0.00 -1.68 0.00 0.00 37.83 32.81 1smj s LYS 3 CO 0.19 -0.08 1.46 -1.91 -0.76 0.00 0.00 175.35 174.24 1smj n GLU 4 N 4.50 1.72 -2.20 1.68 2.13 -1.26 -4.76 120.64 122.46 1smj n GLU 4 Ca -0.17 0.62 -0.41 0.00 0.66 0.00 0.00 57.16 57.85 1smj n GLU 4 Cb 0.51 -2.32 -0.03 0.00 0.27 0.00 0.00 31.44 29.87 1smj n GLU 4 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 1smj s MET 5 N 0.60 4.37 0.13 5.31 -2.45 -1.26 -5.00 119.30 121.00 1smj s MET 5 Ca 0.80 2.07 -0.14 0.00 -1.25 0.00 0.00 55.69 57.18 1smj s MET 5 Cb -0.79 -3.20 -0.07 0.00 1.25 0.00 0.00 34.83 32.03 1smj s MET 5 CO 0.43 -0.29 0.52 -1.25 1.05 0.00 0.00 175.02 175.48 1smj s PRO 6 N 0.04 3.96 -0.01 4.11 0.04 -1.26 -4.84 135.00 137.04 1smj s PRO 6 Ca 0.58 0.45 -0.04 0.00 0.04 0.00 0.00 61.00 62.03 1smj s PRO 6 Cb -0.37 -2.97 -0.00 0.00 0.04 0.00 0.00 34.50 31.20 1smj s PRO 6 CO 0.37 0.51 0.09 1.14 0.04 0.00 0.00 177.00 179.15 1smj s GLN 7 N -1.87 0.34 0.66 4.56 -2.07 -1.26 -1.53 119.66 118.49 1smj s GLN 7 Ca 0.36 -0.30 -0.15 0.00 -1.82 0.00 0.00 55.36 53.45 1smj s GLN 7 Cb -0.15 0.14 0.00 0.00 -1.09 0.00 0.00 33.01 31.91 1smj s GLN 7 CO 0.19 -0.07 1.13 -1.25 -1.32 0.00 0.00 175.29 173.96 1smj s PRO 8 N -1.00 2.73 0.00 9.60 0.04 -1.26 -4.92 135.00 140.19 1smj s PRO 8 Ca -0.11 1.47 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1smj s PRO 8 Cb -0.06 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1smj s PRO 8 CO 0.01 -1.32 0.00 0.36 0.04 0.00 0.00 177.00 176.09 1smj n LYS 9 N -2.39 0.00 -4.33 4.56 0.00 -1.26 -4.88 118.16 109.87 1smj n LYS 9 Ca 0.11 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.07 1smj n LYS 9 Cb 0.52 0.00 -0.10 0.00 -0.00 0.00 0.00 35.03 35.45 1smj n LYS 9 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1smj s THR 10 N 0.00 4.36 -0.93 0.58 -4.23 -1.23 -4.35 115.64 109.84 1smj s THR 10 Ca 0.00 -0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.28 1smj s THR 10 Cb 0.00 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 71.26 1smj s THR 10 CO 0.00 0.58 1.15 0.49 -0.54 0.00 0.00 174.62 176.30 1smj n PHE 11 N 2.40 3.14 0.00 3.99 3.01 0.32 -4.95 117.46 125.37 1smj n PHE 11 Ca -0.18 -3.34 0.00 0.00 1.01 0.00 0.00 57.45 54.93 1smj n PHE 11 Cb 0.53 -1.07 0.00 0.00 -0.01 0.00 0.00 39.48 38.94 1smj n PHE 11 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1smj n GLY 12 N 1.41 0.90 0.67 1.37 0.00 -1.26 -1.02 105.19 107.25 1smj n GLY 12 Ca 0.26 0.03 0.49 0.00 0.00 0.00 0.00 46.02 46.81 1smj n GLY 12 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1smj h GLU 13 N 0.00 0.00 0.00 1.61 4.11 -2.02 1.83 114.58 120.12 1smj h GLU 13 Ca 0.00 -0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.24 1smj h GLU 13 Cb 0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1smj h GLU 13 CO 0.00 0.00 -0.85 -0.07 0.07 0.00 0.00 179.01 178.17 1smj h LEU 14 N 0.00 0.18 0.00 3.06 -0.00 -1.48 -3.41 115.31 113.67 1smj h LEU 14 Ca 0.86 -0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.60 1smj h LEU 14 Cb 3.42 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 44.03 1smj h LEU 14 CO -0.04 0.94 0.00 0.29 -0.00 0.00 0.00 178.44 179.64 1smj n LYS 15 N -3.64 0.00 0.00 1.13 4.76 0.62 -2.57 118.16 118.46 1smj n LYS 15 Ca -0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1smj n LYS 15 Cb 0.79 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.98 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 6.77 0.50 -0.02 4.39 5.03 -0.83 0.12 115.26 131.22 1smj n ASN 16 Ca 0.00 -1.17 -0.06 0.00 0.87 0.00 0.00 54.58 54.22 1smj n ASN 16 Cb 0.00 0.00 0.14 0.00 -1.02 0.00 0.00 39.78 38.90 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 0.00 0.60 -0.04 3.41 5.85 -1.56 -3.02 115.31 120.55 1smj h LEU 17 Ca 0.00 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.51 1smj h LEU 17 Cb 0.60 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1smj h LEU 17 CO 0.00 0.86 -0.15 -0.65 -0.34 0.00 0.00 178.44 178.16 1smj h PRO 18 N 0.51 -0.15 -0.43 5.25 0.11 -1.87 0.32 132.00 135.75 1smj h PRO 18 Ca 0.07 0.01 0.13 0.00 0.11 0.00 0.00 66.00 66.32 1smj h PRO 18 Cb 0.75 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 1smj h PRO 18 CO 0.06 -0.10 0.30 1.28 -0.21 0.00 0.00 178.00 179.33 1smj n LEU 19 N -3.36 0.02 0.08 2.35 4.77 -1.15 0.76 117.00 120.46 1smj n LEU 19 Ca -0.02 0.28 0.13 0.00 -0.03 0.00 0.00 56.01 56.37 1smj n LEU 19 Cb 0.10 -0.14 0.38 0.00 -2.33 0.00 0.00 43.42 41.44 1smj n LEU 19 CO 0.02 -0.29 0.77 -0.11 -1.33 0.00 0.00 177.39 176.46 1smj n LEU 20 N -2.70 0.66 -4.55 2.23 7.94 0.09 -4.71 117.00 115.96 1smj n LEU 20 Ca 0.10 0.47 -0.39 0.00 -1.11 0.00 0.00 56.01 55.09 1smj n LEU 20 Cb 0.45 -0.31 -0.03 0.00 0.53 0.00 0.00 43.42 44.06 1smj n LEU 20 CO 0.09 -0.12 1.36 0.21 -1.11 0.00 0.00 177.39 177.82 1smj s ASN 21 N -4.18 5.85 -0.30 1.96 2.47 3.86 -4.78 114.94 119.82 1smj s ASN 21 Ca 0.10 -0.40 -0.27 0.00 0.42 0.00 0.00 52.86 52.71 1smj s ASN 21 Cb 0.14 -2.55 0.20 0.00 -1.45 0.00 0.00 41.25 37.58 1smj s ASN 21 CO 0.62 -2.04 1.42 0.28 -3.72 0.00 0.00 177.10 173.66 1smj s THR 22 N 7.04 0.00 -1.89 -5.21 -1.32 -1.26 -5.04 115.64 107.95 1smj s THR 22 Ca 0.50 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 61.05 1smj s THR 22 Cb -0.08 -1.00 0.19 0.00 -1.51 0.00 0.00 72.50 70.10 1smj s THR 22 CO 0.11 0.00 0.92 0.47 -2.21 0.00 0.00 174.62 173.91 1smj n ASP 23 N 0.94 0.00 -2.72 8.08 8.00 -1.26 -4.15 116.55 125.44 1smj n ASP 23 Ca -0.04 -0.14 -0.08 0.00 0.71 0.00 0.00 54.79 55.24 1smj n ASP 23 Cb 0.58 -0.06 0.09 0.00 -0.02 0.00 0.00 41.12 41.72 1smj n ASP 23 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1smj n LYS 24 N -1.06 0.81 -0.06 -1.24 5.02 -1.26 -4.13 118.16 116.24 1smj n LYS 24 Ca 0.05 -1.64 0.00 0.00 -2.02 0.00 0.00 58.31 54.70 1smj n LYS 24 Cb 0.03 -0.89 0.30 0.00 -0.02 0.00 0.00 35.03 34.45 1smj n LYS 24 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1smj h PRO 25 N 2.95 0.66 0.37 1.97 0.11 -1.87 -1.59 132.00 134.60 1smj h PRO 25 Ca -0.15 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 65.85 1smj h PRO 25 Cb 1.12 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1smj h PRO 25 CO 0.12 0.56 -0.18 0.28 -0.21 0.00 0.00 178.00 178.56 1smj h VAL 26 N 0.65 0.58 0.00 3.15 2.07 -1.95 1.12 116.25 121.88 1smj h VAL 26 Ca 0.16 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1smj h VAL 26 Cb 0.16 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1smj h VAL 26 CO -0.01 0.09 0.08 1.56 0.02 0.00 0.00 177.57 179.31 1smj h GLN 27 N -0.82 0.00 0.06 1.57 4.20 -1.96 1.26 115.11 119.42 1smj h GLN 27 Ca -0.05 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.34 1smj h GLN 27 Cb 0.53 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1smj h GLN 27 CO 0.08 0.00 -1.76 0.00 -0.67 0.00 0.00 178.83 176.48 1smj h ALA 28 N 1.81 0.57 0.34 3.87 0.00 -0.24 -2.99 119.26 122.62 1smj h ALA 28 Ca 0.00 -1.37 -0.01 0.00 0.00 0.00 0.00 54.91 53.53 1smj h ALA 28 Cb 0.16 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1smj h ALA 28 CO 0.00 1.41 -0.21 -0.07 0.00 0.00 0.00 179.25 180.38 1smj h LEU 29 N 0.04 -0.54 -0.95 0.00 3.38 0.51 -0.55 115.31 117.20 1smj h LEU 29 Ca -0.32 0.03 0.30 0.00 0.09 0.00 0.00 57.88 57.98 1smj h LEU 29 Cb 2.02 0.16 -0.16 0.00 0.09 0.00 0.00 40.66 42.76 1smj h LEU 29 CO 0.10 -0.34 0.27 0.24 0.09 0.00 0.00 178.44 178.80 1smj h MET 30 N -0.54 0.11 -0.36 1.13 2.86 0.12 0.53 114.93 118.79 1smj h MET 30 Ca -0.03 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1smj h MET 30 Cb 0.45 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1smj h MET 30 CO 0.03 0.07 0.12 -0.22 1.06 0.00 0.00 176.91 177.97 1smj h LYS 31 N 0.11 0.56 -0.12 1.72 3.64 -1.07 -1.79 116.57 119.62 1smj h LYS 31 Ca 0.65 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.93 1smj h LYS 31 Cb 1.46 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 1smj h LYS 31 CO -0.76 0.57 0.03 0.82 -2.27 0.00 0.00 179.45 177.84 1smj h ILE 32 N 0.43 0.97 -0.49 2.00 2.04 0.63 0.17 117.51 123.25 1smj h ILE 32 Ca 0.12 -0.03 0.09 0.00 1.00 0.00 0.00 64.86 66.04 1smj h ILE 32 Cb 0.24 0.87 -0.10 0.00 -0.74 0.00 0.00 36.82 37.09 1smj h ILE 32 CO -0.00 0.02 -0.30 0.00 0.00 0.00 0.00 178.15 177.86 1smj h ALA 33 N 1.07 -0.04 -0.73 1.87 0.00 0.06 0.15 119.26 121.64 1smj h ALA 33 Ca 0.05 0.14 0.09 0.00 0.00 0.00 0.00 54.91 55.20 1smj h ALA 33 Cb 0.03 0.68 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1smj h ALA 33 CO -0.06 -0.66 0.48 -0.44 0.00 0.00 0.00 179.25 178.58 1smj h ASP 34 N -0.18 0.58 0.88 0.00 3.32 -0.12 1.87 116.42 122.78 1smj h ASP 34 Ca 0.21 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.17 1smj h ASP 34 Cb 0.53 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1smj h ASP 34 CO -0.59 0.35 -0.48 -0.08 -1.72 0.00 0.00 179.24 176.72 1smj h GLU 35 N 0.65 0.00 0.00 3.56 4.81 0.61 -3.39 114.58 120.82 1smj h GLU 35 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1smj h GLU 35 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1smj h GLU 35 CO -0.12 0.48 -0.34 1.28 -0.73 0.00 0.00 179.01 179.58 1smj n LEU 36 N -3.54 0.00 0.00 1.64 4.77 -0.18 -5.10 117.00 114.58 1smj n LEU 36 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1smj n LEU 36 Cb 0.58 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.67 1smj n LEU 36 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 1smj n GLY 37 N 1.35 0.28 0.14 -0.72 0.00 0.62 -4.78 105.19 102.08 1smj n GLY 37 Ca 0.00 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.28 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 -3.73 1.61 4.11 -1.93 -3.43 114.58 111.21 1smj h GLU 38 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 1smj h GLU 38 Cb 0.00 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.03 1smj h GLU 38 CO 0.00 0.00 -0.61 -1.50 0.07 0.00 0.00 179.01 176.97 1smj s ILE 39 N -3.22 0.08 0.02 -1.06 2.07 -1.26 0.15 121.20 117.97 1smj s ILE 39 Ca 0.05 -0.65 -0.16 0.00 -1.41 0.00 0.00 60.65 58.48 1smj s ILE 39 Cb 0.09 -0.29 0.03 0.00 0.13 0.00 0.00 42.46 42.42 1smj s ILE 39 CO 0.70 -0.36 0.36 0.72 -1.91 0.00 0.00 174.94 174.45 1smj s PHE 40 N -1.14 -0.21 0.00 3.50 -0.71 -0.93 -4.62 117.98 113.87 1smj s PHE 40 Ca -0.12 0.22 -0.30 0.00 -1.04 0.00 0.00 56.93 55.68 1smj s PHE 40 Cb -0.07 0.15 -0.06 0.00 -1.21 0.00 0.00 43.02 41.82 1smj s PHE 40 CO 0.00 -0.48 1.52 0.21 -1.34 0.00 0.00 175.22 175.13 1smj s LYS 41 N -1.98 4.23 -0.14 1.99 2.20 -0.59 0.23 119.74 125.69 1smj s LYS 41 Ca -0.09 2.10 -0.02 0.00 -0.36 0.00 0.00 55.97 57.61 1smj s LYS 41 Cb -0.02 -3.68 -0.02 0.00 -1.51 0.00 0.00 37.83 32.60 1smj s LYS 41 CO 0.01 -0.69 -0.07 0.12 -0.36 0.00 0.00 175.35 174.36 1smj s PHE 42 N 2.87 2.94 -0.24 4.03 5.99 0.66 -4.31 117.98 129.92 1smj s PHE 42 Ca 0.68 -0.41 -0.00 0.00 0.00 0.00 0.00 56.93 57.20 1smj s PHE 42 Cb -0.34 -1.90 0.03 0.00 0.00 0.00 0.00 43.02 40.81 1smj s PHE 42 CO 0.28 -0.08 -0.09 -2.00 -0.00 0.00 0.00 175.22 173.33 1smj s GLU 43 N 0.30 2.75 0.89 10.12 2.12 -1.26 -1.52 118.70 132.10 1smj s GLU 43 Ca -0.06 -1.02 -0.10 0.00 0.36 0.00 0.00 54.97 54.15 1smj s GLU 43 Cb -0.15 -2.90 0.20 0.00 0.26 0.00 0.00 34.13 31.54 1smj s GLU 43 CO 0.04 -0.40 1.22 0.00 -0.54 0.00 0.00 175.26 175.58 1smj s ALA 44 N 1.28 2.82 -0.27 6.30 0.00 -0.84 -1.95 121.76 129.08 1smj s ALA 44 Ca -0.01 -1.57 -0.19 0.00 0.00 0.00 0.00 51.96 50.19 1smj s ALA 44 Cb -0.17 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.54 1smj s ALA 44 CO -0.06 -2.19 0.57 -2.14 0.00 0.00 0.00 175.76 171.95 1smj s PRO 45 N -5.64 4.03 0.00 0.00 0.02 -1.26 -4.53 135.00 127.62 1smj s PRO 45 Ca 0.73 0.37 0.00 0.00 0.02 0.00 0.00 61.00 62.12 1smj s PRO 45 Cb -0.03 -3.67 0.00 0.00 0.02 0.00 0.00 34.50 30.82 1smj s PRO 45 CO 0.50 -0.43 0.00 0.41 -0.33 0.00 0.00 177.00 177.16 1smj n GLY 46 N 4.34 1.18 3.77 0.52 0.00 -1.26 -5.04 105.19 108.70 1smj n GLY 46 Ca -0.02 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 1smj n GLY 46 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1smj s ARG 47 N 0.00 3.93 0.16 1.61 1.04 -1.26 -5.07 118.95 119.35 1smj s ARG 47 Ca 0.00 2.04 0.07 0.00 -1.04 0.00 0.00 55.73 56.80 1smj s ARG 47 Cb 0.00 -2.68 -0.04 0.00 -2.04 0.00 0.00 34.95 30.19 1smj s ARG 47 CO 0.00 -0.49 -0.15 0.54 -0.04 0.00 0.00 175.30 175.17 1smj s VAL 48 N -1.32 1.54 -0.26 4.99 0.11 -1.26 -2.00 120.40 122.20 1smj s VAL 48 Ca 0.58 -1.93 -0.27 0.00 -2.93 0.00 0.00 61.98 57.43 1smj s VAL 48 Cb -0.35 -1.77 0.15 0.00 -1.53 0.00 0.00 36.38 32.88 1smj s VAL 48 CO 0.45 -0.47 1.20 0.28 -3.33 0.00 0.00 175.10 173.22 1smj s THR 49 N -2.45 0.00 -0.25 5.04 -1.32 -0.57 -4.66 115.64 111.42 1smj s THR 49 Ca 0.15 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.53 1smj s THR 49 Cb -0.03 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.91 1smj s THR 49 CO 0.05 0.00 0.16 -0.13 -2.21 0.00 0.00 174.62 172.48 1smj s ARG 50 N -0.39 4.01 -0.10 7.08 0.52 -0.91 0.24 118.95 129.41 1smj s ARG 50 Ca 0.04 -0.30 -0.22 0.00 -0.52 0.00 0.00 55.73 54.73 1smj s ARG 50 Cb -0.03 -3.54 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 1smj s ARG 50 CO -0.07 -0.00 0.65 0.71 0.02 0.00 0.00 175.30 176.61 1smj s TYR 51 N 1.22 3.53 -0.11 -0.53 1.51 0.63 0.75 117.35 124.35 1smj s TYR 51 Ca 0.07 1.14 -0.02 0.00 -1.01 0.00 0.00 57.07 57.25 1smj s TYR 51 Cb -0.14 -2.76 -0.03 0.00 -0.11 0.00 0.00 41.96 38.92 1smj s TYR 51 CO 0.06 0.06 -0.05 -0.51 -1.11 0.00 0.00 175.55 174.00 1smj s LEU 52 N 0.94 3.22 0.03 -1.29 1.02 1.14 -2.18 118.68 121.56 1smj s LEU 52 Ca 0.34 -0.08 -0.04 0.00 0.02 0.00 0.00 54.13 54.38 1smj s LEU 52 Cb -0.17 -1.74 -0.01 0.00 0.02 0.00 0.00 46.19 44.29 1smj s LEU 52 CO 0.15 0.26 -0.08 -1.20 0.02 0.00 0.00 176.35 175.51 1smj n SER 53 N 2.91 1.20 -4.76 2.29 7.64 0.39 -1.76 113.62 121.53 1smj n SER 53 Ca -0.18 0.17 -0.39 0.00 1.01 0.00 0.00 58.87 59.48 1smj n SER 53 Cb 0.53 -0.41 -0.05 0.00 -1.01 0.00 0.00 64.21 63.27 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 -5.88 7.35 0.30 6.43 1.04 -1.01 -2.48 113.70 119.45 1smj s SER 54 Ca -0.06 2.04 0.06 0.00 0.48 0.00 0.00 55.95 58.47 1smj s SER 54 Cb 0.01 -2.61 0.76 0.00 0.10 0.00 0.00 66.02 64.28 1smj s SER 54 CO 0.09 -0.07 1.74 -0.61 0.98 0.00 0.00 173.24 175.37 1smj h GLN 55 N 3.64 0.57 0.00 4.02 -0.00 -1.88 -0.43 115.11 121.03 1smj h GLN 55 Ca -0.46 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.15 1smj h GLN 55 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 27.48 28.56 1smj h GLN 55 CO 0.66 0.38 0.00 2.89 0.00 0.00 0.00 178.83 182.76 1smj n ARG 56 N -4.89 0.27 -0.00 1.69 1.85 -1.26 -1.52 116.66 112.80 1smj n ARG 56 Ca 0.23 0.04 -0.00 0.00 -1.00 0.00 0.00 57.85 57.12 1smj n ARG 56 Cb 0.64 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 30.54 1smj n ARG 56 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1smj n LEU 57 N -1.06 2.57 -0.02 2.89 7.99 -0.24 -4.55 117.00 124.58 1smj n LEU 57 Ca 0.07 -0.00 -0.02 0.00 -0.01 0.00 0.00 56.01 56.04 1smj n LEU 57 Cb 0.04 -0.01 0.23 0.00 -0.11 0.00 0.00 43.42 43.57 1smj n LEU 57 CO 0.06 0.44 0.85 0.40 -1.51 0.00 0.00 177.39 177.63 1smj h ILE 58 N 0.00 1.23 -0.07 -0.08 1.08 -1.29 -1.56 117.51 116.82 1smj h ILE 58 Ca -0.01 -1.00 0.03 0.00 -0.39 0.00 0.00 64.86 63.49 1smj h ILE 58 Cb 1.02 1.06 -0.03 0.00 -3.07 0.00 0.00 36.82 35.80 1smj h ILE 58 CO -0.00 0.33 -0.10 0.07 -0.69 0.00 0.00 178.15 177.76 1smj h LYS 59 N 0.54 -0.13 0.27 2.37 2.10 -1.50 0.67 116.57 120.89 1smj h LYS 59 Ca 0.10 0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1smj h LYS 59 Cb 0.47 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.82 1smj h LYS 59 CO 0.03 -0.09 -0.19 0.93 -2.00 0.00 0.00 179.45 178.13 1smj h GLU 60 N -0.14 -0.44 0.00 0.07 5.08 -1.77 -2.73 114.58 114.66 1smj h GLU 60 Ca 0.06 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1smj h GLU 60 Cb 0.22 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 1smj h GLU 60 CO -0.15 -0.29 -0.09 0.00 -1.00 0.00 0.00 179.01 177.47 1smj h ALA 61 N 0.24 1.40 0.00 3.43 0.00 -0.95 0.97 119.26 124.35 1smj h ALA 61 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1smj h ALA 61 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1smj h ALA 61 CO 0.00 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1smj s ASP 63 N -1.87 5.96 0.39 0.00 2.15 0.33 -4.92 116.67 118.71 1smj s ASP 63 Ca 0.31 -0.36 0.07 0.00 0.43 0.00 0.00 52.55 53.00 1smj s ASP 63 Cb 0.14 -2.55 0.82 0.00 -0.30 0.00 0.00 42.92 41.03 1smj s ASP 63 CO 0.24 -1.96 2.01 -0.08 -0.17 0.00 0.00 175.17 175.20 1smj h GLU 64 N 11.17 0.61 -0.76 4.34 4.81 -1.86 3.98 114.58 136.87 1smj h GLU 64 Ca -0.22 -0.04 0.16 0.00 -0.13 0.00 0.00 59.36 59.13 1smj h GLU 64 Cb 1.07 -0.14 -0.14 0.00 0.63 0.00 0.00 28.75 30.17 1smj h GLU 64 CO 1.28 0.41 -0.10 0.77 -0.73 0.00 0.00 179.01 180.63 1smj h SER 65 N 0.63 -0.55 0.93 1.04 0.02 -1.98 -3.31 113.55 110.33 1smj h SER 65 Ca 0.23 0.22 -0.02 0.00 -0.84 0.00 0.00 61.79 61.38 1smj h SER 65 Cb 0.14 0.42 -0.00 0.00 0.14 0.00 0.00 62.40 63.09 1smj h SER 65 CO -0.06 -0.23 -1.08 0.54 -1.14 0.00 0.00 176.83 174.86 1smj n ARG 66 N -5.44 0.61 -3.69 3.45 1.74 1.31 -4.90 116.66 109.74 1smj n ARG 66 Ca 0.12 0.12 -0.12 0.00 -0.77 0.00 0.00 57.85 57.20 1smj n ARG 66 Cb 0.44 -1.81 -0.12 0.00 -1.02 0.00 0.00 32.46 29.94 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 -3.33 -0.47 0.23 -1.55 0.08 -0.69 -1.79 117.98 110.46 1smj s PHE 67 Ca -0.01 1.04 0.07 0.00 0.12 0.00 0.00 56.93 58.14 1smj s PHE 67 Cb 0.10 0.10 -0.04 0.00 -0.57 0.00 0.00 43.02 42.61 1smj s PHE 67 CO 0.80 -0.32 0.16 0.34 -0.10 0.00 0.00 175.22 176.10 1smj s ASP 68 N 1.82 5.43 -0.33 1.36 2.15 -1.14 -4.50 116.67 121.46 1smj s ASP 68 Ca -0.05 -0.26 -0.41 0.00 0.43 0.00 0.00 52.55 52.27 1smj s ASP 68 Cb -0.11 -1.36 -0.16 0.00 -0.30 0.00 0.00 42.92 40.99 1smj s ASP 68 CO -0.10 -0.01 1.83 1.17 -0.17 0.00 0.00 175.17 177.89 1smj n LYS 69 N -0.95 0.93 -4.09 4.34 4.81 -1.26 -1.65 118.16 120.29 1smj n LYS 69 Ca -0.08 0.33 -0.23 0.00 -0.87 0.00 0.00 58.31 57.46 1smj n LYS 69 Cb 0.57 -2.05 -0.04 0.00 0.02 0.00 0.00 35.03 33.53 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 4.23 5.60 -0.38 3.14 2.47 0.25 -4.63 114.94 125.61 1smj s ASN 70 Ca 1.02 -0.19 -0.14 0.00 0.42 0.00 0.00 52.86 53.98 1smj s ASN 70 Cb -1.12 -1.46 0.01 0.00 -1.45 0.00 0.00 41.25 37.23 1smj s ASN 70 CO 0.65 -0.01 0.27 -0.76 -3.72 0.00 0.00 177.10 173.53 1smj s LEU 71 N -3.68 4.84 0.40 3.21 1.02 -1.26 -4.10 118.68 119.12 1smj s LEU 71 Ca 0.33 -0.72 -0.23 0.00 0.02 0.00 0.00 54.13 53.52 1smj s LEU 71 Cb -0.08 -2.14 -0.10 0.00 0.02 0.00 0.00 46.19 43.89 1smj s LEU 71 CO 0.25 -0.36 0.98 -0.94 0.02 0.00 0.00 176.35 176.30 1smj s SER 72 N 1.69 6.94 0.32 2.29 1.04 -1.26 -4.72 113.70 120.00 1smj s SER 72 Ca 0.05 1.83 0.27 0.00 0.48 0.00 0.00 55.95 58.58 1smj s SER 72 Cb -0.18 -2.56 1.04 0.00 0.10 0.00 0.00 66.02 64.41 1smj s SER 72 CO 0.10 -0.36 0.99 1.67 0.98 0.00 0.00 173.24 176.62 1smj n GLN 73 N -0.24 -0.01 0.09 4.02 -0.06 -1.26 0.18 117.38 120.09 1smj n GLN 73 Ca 0.05 0.74 -0.19 0.00 -2.00 0.00 0.00 57.00 55.60 1smj n GLN 73 Cb 0.52 -1.58 -0.11 0.00 -4.06 0.00 0.00 30.24 25.00 1smj n GLN 73 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1smj h ALA 74 N 0.80 0.09 -0.09 1.69 0.00 -1.95 -2.37 119.26 117.43 1smj h ALA 74 Ca 0.58 -0.77 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1smj h ALA 74 Cb 2.14 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 1smj h ALA 74 CO -0.14 0.75 -0.51 -0.07 0.00 0.00 0.00 179.25 179.28 1smj h LEU 75 N 0.25 0.28 0.00 0.00 3.38 0.15 -2.43 115.31 116.94 1smj h LEU 75 Ca -0.16 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1smj h LEU 75 Cb 1.84 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.51 1smj h LEU 75 CO 0.22 0.75 0.00 0.29 0.09 0.00 0.00 178.44 179.78 1smj n LYS 76 N -3.94 0.00 0.05 1.13 4.76 -0.22 -0.91 118.16 119.03 1smj n LYS 76 Ca -0.02 0.70 0.17 0.00 -2.87 0.00 0.00 58.31 56.29 1smj n LYS 76 Cb 0.56 -1.48 0.36 0.00 -1.84 0.00 0.00 35.03 32.63 1smj n LYS 76 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1smj h PHE 77 N 0.00 0.00 0.08 2.13 0.04 -1.47 -2.24 116.94 115.48 1smj h PHE 77 Ca 0.00 0.00 -0.28 0.00 2.80 0.00 0.00 57.97 60.49 1smj h PHE 77 Cb 0.00 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1smj h PHE 77 CO -0.29 0.00 -1.51 0.28 -0.60 0.00 0.00 178.31 176.19 1smj h VAL 78 N 0.00 0.89 0.00 -0.55 2.07 -0.51 -3.29 116.25 114.86 1smj h VAL 78 Ca 0.25 -2.31 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1smj h VAL 78 Cb 2.22 2.51 0.00 0.00 -1.52 0.00 0.00 31.29 34.50 1smj h VAL 78 CO -0.00 0.64 0.00 -1.14 0.02 0.00 0.00 177.57 177.09 1smj n ARG 79 N -3.96 0.00 -0.58 1.57 0.63 -0.45 -0.58 116.66 113.29 1smj n ARG 79 Ca -0.29 0.00 0.45 0.00 -0.92 0.00 0.00 57.85 57.09 1smj n ARG 79 Cb 0.87 0.00 0.70 0.00 0.45 0.00 0.00 32.46 34.47 1smj n ARG 79 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1smj n ASP 80 N -3.11 0.00 0.00 6.15 8.00 -1.22 0.28 116.55 126.66 1smj n ASP 80 Ca 0.00 0.87 0.00 0.00 0.71 0.00 0.00 54.79 56.37 1smj n ASP 80 Cb 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1smj n ASP 80 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1smj n PHE 81 N -3.64 0.00 -0.10 1.24 -1.74 0.25 -4.77 117.46 108.71 1smj n PHE 81 Ca 0.38 0.00 -0.23 0.00 -0.56 0.00 0.00 57.45 57.04 1smj n PHE 81 Cb 1.77 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 42.65 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 -0.75 1.12 0.00 1.98 0.00 -0.01 -4.84 120.51 118.01 1smj n ALA 82 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 53.44 52.57 1smj n ALA 82 Cb 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.22 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 1.75 1.80 0.30 0.00 0.00 0.80 -3.27 105.19 106.57 1smj n GLY 83 Ca -0.43 -0.27 0.02 0.00 0.00 0.00 0.00 46.02 45.35 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 6.17 0.61 -3.46 1.61 5.75 -1.26 -3.98 116.55 121.99 1smj n ASP 84 Ca 0.00 -2.06 -0.30 0.00 -0.01 0.00 0.00 54.79 52.41 1smj n ASP 84 Cb 0.00 -0.20 0.29 0.00 -1.03 0.00 0.00 41.12 40.18 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 -0.33 -3.64 0.36 6.12 0.00 -1.20 -4.37 105.19 102.13 1smj n GLY 85 Ca 0.03 -1.63 0.12 0.00 0.00 0.00 0.00 46.02 44.54 1smj n GLY 85 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1smj h LEU 86 N -3.51 0.82 -0.31 0.99 4.07 -1.92 -1.86 115.31 113.58 1smj h LEU 86 Ca -0.45 0.08 -0.09 0.00 0.08 0.00 0.00 57.88 57.51 1smj h LEU 86 Cb 1.35 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 43.01 1smj h LEU 86 CO 0.29 0.33 -0.16 0.15 -1.08 0.00 0.00 178.44 177.97 1smj h PHE 87 N 0.82 0.76 0.00 1.13 3.04 -1.95 -3.34 116.94 117.40 1smj h PHE 87 Ca 0.55 -0.19 0.00 0.00 3.98 0.00 0.00 57.97 62.31 1smj h PHE 87 Cb 0.80 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.13 1smj h PHE 87 CO -0.00 0.88 -0.80 0.25 -2.02 0.00 0.00 178.31 176.62 1smj n THR 88 N -4.37 0.00 -2.02 4.41 -2.24 -1.04 -4.98 114.28 104.04 1smj n THR 88 Ca -0.03 -0.17 -0.39 0.00 -2.27 0.00 0.00 64.05 61.20 1smj n THR 88 Cb 0.39 0.92 0.01 0.00 -2.10 0.00 0.00 70.33 69.55 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 -2.54 5.97 0.91 3.42 1.04 -0.73 -4.72 113.70 117.05 1smj s SER 89 Ca 0.05 2.60 -0.12 0.00 0.48 0.00 0.00 55.95 58.96 1smj s SER 89 Cb 0.11 -2.63 0.14 0.00 0.10 0.00 0.00 66.02 63.74 1smj s SER 89 CO 0.62 -1.08 1.14 0.26 0.98 0.00 0.00 173.24 175.16 1smj s TRP 90 N -1.35 2.50 -0.03 5.02 0.52 -1.26 -5.00 118.94 119.34 1smj s TRP 90 Ca 0.63 0.83 -0.21 0.00 0.02 0.00 0.00 56.10 57.37 1smj s TRP 90 Cb -0.36 -3.41 -0.14 0.00 -1.15 0.00 0.00 33.47 28.40 1smj s TRP 90 CO 0.45 -2.35 0.92 1.15 0.02 0.00 0.00 176.95 177.14 1smj h THR 91 N -1.49 0.54 0.00 2.01 2.02 -1.98 -3.29 112.91 110.72 1smj h THR 91 Ca -0.50 -0.80 -0.48 0.00 0.77 0.00 0.00 66.41 65.39 1smj h THR 91 Cb 1.33 0.86 0.06 0.00 -1.74 0.00 0.00 68.15 68.65 1smj h THR 91 CO 0.61 0.12 2.00 1.41 0.37 0.00 0.00 175.52 180.04 1smj n HIS 92 N -5.06 1.10 -3.65 3.16 8.25 -1.26 -4.42 115.22 113.34 1smj n HIS 92 Ca -0.08 -1.39 -0.08 0.00 -0.26 0.00 0.00 57.72 55.90 1smj n HIS 92 Cb 0.26 -1.35 -0.08 0.00 1.12 0.00 0.00 29.99 29.95 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 5.03 0.66 0.19 -0.41 2.12 -1.24 -5.05 118.70 120.00 1smj s GLU 93 Ca 0.48 1.13 -0.17 0.00 0.36 0.00 0.00 54.97 56.77 1smj s GLU 93 Cb 0.12 0.13 0.16 0.00 0.26 0.00 0.00 34.13 34.79 1smj s GLU 93 CO 0.11 -0.15 1.63 -0.22 -0.54 0.00 0.00 175.26 176.09 1smj h LYS 94 N 6.91 -0.06 0.00 4.30 1.63 -1.89 -2.56 116.57 124.90 1smj h LYS 94 Ca -0.31 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.49 1smj h LYS 94 Cb 1.22 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 1smj h LYS 94 CO 0.18 -0.04 0.00 -0.91 -3.45 0.00 0.00 179.45 175.23 1smj h ASN 95 N -0.07 0.00 0.00 4.20 4.21 -1.90 -3.03 115.58 119.00 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 0.45 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.65 1smj h ASN 95 CO -0.57 0.00 0.00 1.87 -1.29 0.00 0.00 177.43 177.44 1smj n TRP 96 N -2.41 0.00 -0.22 1.19 -0.00 -0.96 -0.24 117.44 114.80 1smj n TRP 96 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.53 1smj n TRP 96 Cb 0.36 -0.31 0.11 0.00 -0.00 0.00 0.00 31.31 31.47 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 0.56 -0.63 5.87 1.63 -1.69 1.34 116.57 123.65 1smj h LYS 97 Ca 0.00 -0.03 0.06 0.00 -0.85 0.00 0.00 60.65 59.82 1smj h LYS 97 Cb 0.00 -0.13 -0.08 0.00 -0.60 0.00 0.00 32.23 31.43 1smj h LYS 97 CO 0.00 0.37 -0.38 -0.22 -3.45 0.00 0.00 179.45 175.77 1smj h LYS 98 N 0.58 -0.01 0.16 1.90 3.64 -1.53 0.21 116.57 121.51 1smj h LYS 98 Ca 0.31 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.39 1smj h LYS 98 Cb 0.29 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1smj h LYS 98 CO -0.24 -0.01 -1.43 0.00 -2.27 0.00 0.00 179.45 175.50 1smj h ALA 99 N -0.04 0.10 -0.38 5.00 0.00 0.44 -0.36 119.26 124.02 1smj h ALA 99 Ca 0.10 -0.98 0.04 0.00 0.00 0.00 0.00 54.91 54.08 1smj h ALA 99 Cb 0.27 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 1smj h ALA 99 CO -0.60 0.97 -0.39 1.25 0.00 0.00 0.00 179.25 180.49 1smj h HIS 100 N 0.09 -1.20 -0.64 0.00 -0.00 0.15 0.92 115.15 114.48 1smj h HIS 100 Ca -0.21 0.06 0.13 0.00 -0.00 0.00 0.00 60.37 60.35 1smj h HIS 100 Cb 2.04 0.57 -0.12 0.00 -0.00 0.00 0.00 27.41 29.90 1smj h HIS 100 CO 0.08 -0.31 -0.20 -0.91 -0.00 0.00 0.00 177.93 176.59 1smj h ASN 101 N -0.20 -0.72 -0.39 3.26 2.35 -0.26 0.56 115.58 120.17 1smj h ASN 101 Ca 0.06 0.20 -0.07 0.00 -0.55 0.00 0.00 56.30 55.95 1smj h ASN 101 Cb 0.37 0.44 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 1smj h ASN 101 CO -0.47 -0.24 0.01 0.40 -1.65 0.00 0.00 177.43 175.48 1smj h ILE 102 N -0.04 1.24 0.00 2.81 2.04 0.64 -3.31 117.51 120.89 1smj h ILE 102 Ca 0.30 -0.98 -0.24 0.00 1.00 0.00 0.00 64.86 64.94 1smj h ILE 102 Cb 0.50 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 37.40 1smj h ILE 102 CO -0.68 0.35 -2.02 0.18 0.00 0.00 0.00 178.15 175.98 1smj n LEU 103 N -4.22 0.00 -0.32 1.44 7.99 0.30 -4.48 117.00 117.71 1smj n LEU 103 Ca 0.03 0.00 0.20 0.00 -0.01 0.00 0.00 56.01 56.22 1smj n LEU 103 Cb 0.29 0.32 0.37 0.00 -0.11 0.00 0.00 43.42 44.30 1smj n LEU 103 CO 0.41 0.32 0.84 -0.11 -1.51 0.00 0.00 177.39 177.35 1smj n LEU 104 N -2.50 0.03 0.14 2.23 7.94 0.19 0.18 117.00 125.22 1smj n LEU 104 Ca -0.22 1.61 0.07 0.00 -1.11 0.00 0.00 56.01 56.36 1smj n LEU 104 Cb 0.92 -0.65 0.36 0.00 0.53 0.00 0.00 43.42 44.58 1smj n LEU 104 CO 0.34 -1.69 0.77 -0.81 -1.11 0.00 0.00 177.39 174.88 1smj n PRO 105 N -5.34 0.09 0.00 1.96 -0.04 -1.26 -1.40 135.00 129.01 1smj n PRO 105 Ca 0.27 0.55 0.14 0.00 -0.04 0.00 0.00 63.50 64.43 1smj n PRO 105 Cb 0.90 -2.00 0.65 0.00 -0.04 0.00 0.00 33.50 33.00 1smj n PRO 105 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1smj n SER 106 N -2.00 0.00 -2.75 3.54 7.64 0.49 -4.07 113.62 116.46 1smj n SER 106 Ca -0.01 0.36 -0.30 0.00 1.01 0.00 0.00 58.87 59.94 1smj n SER 106 Cb 0.23 -0.45 -0.00 0.00 -1.01 0.00 0.00 64.21 62.98 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 -1.45 3.50 -4.28 1.43 3.72 -0.49 -4.87 117.46 115.02 1smj n PHE 107 Ca 0.09 -3.23 -0.21 0.00 -0.05 0.00 0.00 57.45 54.05 1smj n PHE 107 Cb 0.32 -0.43 -0.12 0.00 -0.94 0.00 0.00 39.48 38.32 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 -3.04 2.38 0.46 4.37 1.04 -1.26 -4.98 113.70 112.68 1smj s SER 108 Ca 0.48 -0.76 0.41 0.00 0.48 0.00 0.00 55.95 56.57 1smj s SER 108 Cb 0.36 -0.12 1.45 0.00 0.10 0.00 0.00 66.02 67.81 1smj s SER 108 CO -0.20 -0.03 1.33 1.67 0.98 0.00 0.00 173.24 176.99 1smj n GLN 109 N 0.75 -0.00 -0.01 4.02 -0.06 -1.26 0.30 117.38 121.12 1smj n GLN 109 Ca -0.17 0.94 -0.02 0.00 -2.00 0.00 0.00 57.00 55.74 1smj n GLN 109 Cb 0.55 -2.13 -0.11 0.00 -4.06 0.00 0.00 30.24 24.49 1smj n GLN 109 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1smj n GLN 110 N -3.72 0.64 0.26 3.69 6.02 -1.26 -3.55 117.38 119.46 1smj n GLN 110 Ca 0.38 0.16 -0.16 0.00 -0.01 0.00 0.00 57.00 57.37 1smj n GLN 110 Cb 1.68 -1.73 -0.08 0.00 1.02 0.00 0.00 30.24 31.13 1smj n GLN 110 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1smj h ALA 111 N 1.32 -0.72 -0.96 -1.58 0.00 0.44 -2.93 119.26 114.82 1smj h ALA 111 Ca -0.24 -0.13 0.24 0.00 0.00 0.00 0.00 54.91 54.77 1smj h ALA 111 Cb 1.74 0.39 -0.13 0.00 0.00 0.00 0.00 17.79 19.79 1smj h ALA 111 CO 0.05 -0.93 0.51 0.52 0.00 0.00 0.00 179.25 179.40 1smj h MET 112 N -0.72 0.47 0.00 0.00 2.86 -1.51 4.44 114.93 120.48 1smj h MET 112 Ca -0.04 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1smj h MET 112 Cb 0.61 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1smj h MET 112 CO 0.02 0.31 -0.21 0.87 1.06 0.00 0.00 176.91 178.96 1smj h LYS 113 N 0.48 0.00 0.00 1.72 1.57 -1.62 0.18 116.57 118.91 1smj h LYS 113 Ca 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 1smj h LYS 113 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1smj h LYS 113 CO -0.51 0.21 0.00 0.41 -0.57 0.00 0.00 179.45 178.99 1smj n GLY 114 N -0.25 -2.38 0.48 3.86 0.00 1.44 -4.25 105.19 104.08 1smj n GLY 114 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.84 1smj n GLY 114 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1smj h TYR 115 N 0.00 -1.38 0.00 1.61 0.05 -0.02 -3.01 116.97 114.22 1smj h TYR 115 Ca 0.00 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1smj h TYR 115 Cb 0.00 0.56 0.00 0.00 1.01 0.00 0.00 36.73 38.30 1smj h TYR 115 CO 0.19 -0.62 0.00 1.58 -1.05 0.00 0.00 178.16 178.25 1smj n HIS 116 N -5.53 0.00 0.14 4.88 -0.00 -0.04 0.28 115.22 114.97 1smj n HIS 116 Ca -0.10 0.00 0.05 0.00 0.46 0.00 0.00 57.72 58.13 1smj n HIS 116 Cb 0.43 -0.29 0.49 0.00 -0.12 0.00 0.00 29.99 30.50 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 0.00 1.73 -0.65 1.57 0.00 -1.71 -2.02 119.26 118.18 1smj h ALA 117 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1smj h ALA 117 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1smj h ALA 117 CO 0.00 0.21 0.00 -1.33 0.00 0.00 0.00 179.25 178.13 1smj n MET 118 N -4.42 0.00 -0.26 0.00 2.00 0.82 -2.65 117.12 112.61 1smj n MET 118 Ca -0.01 0.39 0.22 0.00 0.00 0.00 0.00 57.70 58.31 1smj n MET 118 Cb 0.15 -1.07 0.37 0.00 0.00 0.00 0.00 33.22 32.68 1smj n MET 118 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1smj n MET 119 N -1.68 -0.02 -0.04 0.03 2.81 -1.03 0.17 117.12 117.36 1smj n MET 119 Ca 0.00 0.70 -0.17 0.00 -1.81 0.00 0.00 57.70 56.42 1smj n MET 119 Cb 0.00 -1.37 -0.06 0.00 -0.71 0.00 0.00 33.22 31.08 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 1.28 -0.80 2.03 2.07 -1.43 -1.93 116.25 117.46 1smj h VAL 120 Ca 0.49 -1.89 0.19 0.00 0.82 0.00 0.00 66.70 66.31 1smj h VAL 120 Cb 1.56 1.87 -0.13 0.00 -1.52 0.00 0.00 31.29 33.07 1smj h VAL 120 CO -0.26 0.60 0.11 -0.78 0.02 0.00 0.00 177.57 177.26 1smj h ASP 121 N 0.57 -0.17 0.08 0.57 1.82 0.19 -0.84 116.42 118.63 1smj h ASP 121 Ca -0.03 0.19 -0.00 0.00 -0.39 0.00 0.00 57.03 56.79 1smj h ASP 121 Cb 1.32 0.30 0.00 0.00 0.68 0.00 0.00 39.33 41.63 1smj h ASP 121 CO 0.15 -0.15 -0.04 0.40 -1.61 0.00 0.00 179.24 177.99 1smj h ILE 122 N 0.17 0.00 -0.68 2.25 1.08 -1.52 -2.74 117.51 116.07 1smj h ILE 122 Ca 0.46 -0.16 0.28 0.00 -0.39 0.00 0.00 64.86 65.05 1smj h ILE 122 Cb 0.86 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 34.49 1smj h ILE 122 CO -0.64 0.00 0.36 0.00 -0.69 0.00 0.00 178.15 177.17 1smj n ALA 123 N -2.18 0.69 0.10 1.87 0.00 -0.73 0.53 120.51 120.79 1smj n ALA 123 Ca -0.01 0.70 -0.11 0.00 0.00 0.00 0.00 53.44 54.02 1smj n ALA 123 Cb 0.04 -0.69 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 1smj n ALA 123 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1smj h VAL 124 N 0.00 0.63 -0.77 0.00 2.07 -1.15 -2.85 116.25 114.18 1smj h VAL 124 Ca 0.57 -0.91 0.26 0.00 0.82 0.00 0.00 66.70 67.44 1smj h VAL 124 Cb 1.51 1.03 -0.14 0.00 -1.52 0.00 0.00 31.29 32.17 1smj h VAL 124 CO -0.53 0.15 0.17 0.00 0.02 0.00 0.00 177.57 177.38 1smj n GLN 125 N -5.01 -0.06 0.00 1.57 6.02 0.19 0.14 117.38 120.23 1smj n GLN 125 Ca -0.08 1.12 0.00 0.00 -0.01 0.00 0.00 57.00 58.04 1smj n GLN 125 Cb 0.26 -1.87 0.00 0.00 1.02 0.00 0.00 30.24 29.64 1smj n GLN 125 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1smj n LEU 126 N -4.96 0.00 0.00 1.08 0.00 -0.26 -2.27 117.00 110.59 1smj n LEU 126 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.23 1smj n LEU 126 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.17 1smj n LEU 126 CO -0.03 0.00 0.00 0.52 0.00 0.00 0.00 177.39 177.88 1smj n VAL 127 N 0.00 0.00 -0.18 1.96 0.31 -0.51 0.57 118.33 120.47 1smj n VAL 127 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 1smj n VAL 127 Cb 0.00 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.03 1smj n VAL 127 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1smj n GLN 128 N -2.91 -0.04 0.19 5.55 1.13 0.38 0.12 117.38 121.80 1smj n GLN 128 Ca 0.00 0.78 -0.08 0.00 -1.94 0.00 0.00 57.00 55.76 1smj n GLN 128 Cb 0.00 -1.20 -0.04 0.00 0.11 0.00 0.00 30.24 29.11 1smj n GLN 128 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1smj h LYS 129 N 0.00 -0.49 -1.06 -1.09 3.64 1.55 -2.38 116.57 116.73 1smj h LYS 129 Ca 0.27 0.03 0.33 0.00 -1.27 0.00 0.00 60.65 60.01 1smj h LYS 129 Cb 0.48 0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 32.28 1smj h LYS 129 CO -0.51 -0.33 0.64 -1.49 -2.27 0.00 0.00 179.45 175.49 1smj h TRP 130 N -0.74 0.82 -0.64 1.91 6.55 -1.21 1.81 115.95 124.46 1smj h TRP 130 Ca -0.05 0.03 0.08 0.00 0.95 0.00 0.00 58.89 59.90 1smj h TRP 130 Cb 0.39 -0.22 -0.04 0.00 -0.86 0.00 0.00 29.16 28.43 1smj h TRP 130 CO 0.06 -0.13 0.42 0.93 -1.05 0.00 0.00 178.44 178.68 1smj h GLU 131 N 0.31 0.52 0.00 0.49 4.39 0.14 -2.97 114.58 117.47 1smj h GLU 131 Ca 0.72 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.39 1smj h GLU 131 Cb 1.77 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.31 1smj h GLU 131 CO -0.52 0.35 -0.64 0.54 -1.16 0.00 0.00 179.01 177.58 1smj n ARG 132 N -4.48 0.24 -1.63 2.33 1.74 0.61 -4.86 116.66 110.61 1smj n ARG 132 Ca 0.10 0.06 -0.45 0.00 -0.77 0.00 0.00 57.85 56.79 1smj n ARG 132 Cb 0.31 -1.64 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 1smj n ARG 132 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1smj n LEU 133 N -1.99 2.42 -5.00 0.55 4.32 -0.70 -5.02 117.00 111.57 1smj n LEU 133 Ca 0.03 1.17 -0.18 0.00 -0.02 0.00 0.00 56.01 57.02 1smj n LEU 133 Cb 0.42 -1.35 0.00 0.00 -1.62 0.00 0.00 43.42 40.88 1smj n LEU 133 CO 0.36 -0.97 0.11 0.54 -1.22 0.00 0.00 177.39 176.21 1smj s ASN 134 N -0.20 5.72 0.13 -1.43 6.03 -1.26 -5.04 114.94 118.90 1smj s ASN 134 Ca 0.63 -0.37 -0.18 0.00 -1.03 0.00 0.00 52.86 51.91 1smj s ASN 134 Cb -0.69 -0.83 -0.04 0.00 -3.03 0.00 0.00 41.25 36.66 1smj s ASN 134 CO 0.56 -0.65 1.78 0.00 -2.03 0.00 0.00 177.10 176.76 1smj h ALA 135 N 0.74 0.35 0.00 3.54 0.00 -2.01 -2.76 119.26 119.12 1smj h ALA 135 Ca -0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1smj h ALA 135 Cb 1.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1smj h ALA 135 CO 0.48 -0.17 0.76 0.38 0.00 0.00 0.00 179.25 180.70 1smj h ASP 136 N 0.36 0.00 -2.92 0.00 2.03 -2.05 -3.43 116.42 110.41 1smj h ASP 136 Ca 0.10 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.80 1smj h ASP 136 Cb -0.02 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.40 1smj h ASP 136 CO -0.02 0.00 -0.58 -1.61 -1.03 0.00 0.00 179.24 176.00 1smj s GLU 137 N -4.02 2.88 0.04 4.15 2.02 -1.04 -5.10 118.70 117.62 1smj s GLU 137 Ca -0.01 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1smj s GLU 137 Cb 0.03 -2.67 -0.00 0.00 0.10 0.00 0.00 34.13 31.59 1smj s GLU 137 CO 0.10 0.52 0.01 -2.39 0.02 0.00 0.00 175.26 173.52 1smj n HIS 138 N 0.02 0.04 -4.80 1.61 1.44 -1.26 -4.86 115.22 107.40 1smj n HIS 138 Ca -0.08 -0.22 -0.28 0.00 -2.01 0.00 0.00 57.72 55.13 1smj n HIS 138 Cb 0.53 -0.01 -0.15 0.00 0.12 0.00 0.00 29.99 30.49 1smj n HIS 138 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1smj s ILE 139 N -1.49 1.87 -0.24 0.61 -4.36 0.19 -4.97 121.20 112.81 1smj s ILE 139 Ca 0.01 -1.25 -0.08 0.00 -0.26 0.00 0.00 60.65 59.08 1smj s ILE 139 Cb 0.00 -1.61 -0.03 0.00 1.25 0.00 0.00 42.46 42.07 1smj s ILE 139 CO 0.01 0.30 0.08 -1.61 0.24 0.00 0.00 174.94 173.96 1smj s GLU 140 N -1.13 3.73 -0.05 0.37 2.02 -1.26 -2.43 118.70 119.96 1smj s GLU 140 Ca 0.09 -0.44 -0.00 0.00 0.02 0.00 0.00 54.97 54.64 1smj s GLU 140 Cb -0.09 -3.33 -0.00 0.00 0.10 0.00 0.00 34.13 30.80 1smj s GLU 140 CO 0.02 -0.11 0.02 0.28 0.02 0.00 0.00 175.26 175.48 1smj h VAL 141 N 5.42 0.00 0.00 2.63 2.07 -1.67 -2.70 116.25 122.00 1smj h VAL 141 Ca -0.37 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1smj h VAL 141 Cb 1.18 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1smj h VAL 141 CO 0.59 0.00 -0.06 1.55 0.02 0.00 0.00 177.57 179.67 1smj h PRO 142 N -0.49 0.00 0.41 1.57 0.13 -1.85 0.20 132.00 131.97 1smj h PRO 142 Ca -0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1smj h PRO 142 Cb 0.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 1smj h PRO 142 CO 0.00 0.06 -0.33 0.93 -0.23 0.00 0.00 178.00 178.42 1smj h GLU 143 N 0.00 -0.70 -0.32 0.86 3.07 -1.92 -1.98 114.58 113.59 1smj h GLU 143 Ca -0.00 0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.85 1smj h GLU 143 Cb 0.10 0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.16 1smj h GLU 143 CO 0.01 -0.46 -0.03 -0.44 -1.40 0.00 0.00 179.01 176.68 1smj h ASP 144 N -0.72 0.47 0.00 1.42 3.32 -1.08 0.22 116.42 120.05 1smj h ASP 144 Ca -0.05 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1smj h ASP 144 Cb 0.61 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1smj h ASP 144 CO 0.00 0.56 0.00 0.23 -1.72 0.00 0.00 179.24 178.31 1smj n MET 145 N -4.27 0.00 -0.11 3.56 2.81 0.64 -1.23 117.12 118.52 1smj n MET 145 Ca 0.01 0.32 0.01 0.00 -1.81 0.00 0.00 57.70 56.23 1smj n MET 145 Cb 0.26 -1.27 0.03 0.00 -0.71 0.00 0.00 33.22 31.53 1smj n MET 145 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1smj n THR 146 N -1.38 -0.14 0.24 2.03 -1.04 -0.76 0.35 114.28 113.58 1smj n THR 146 Ca 0.00 0.69 0.07 0.00 -2.04 0.00 0.00 64.05 62.77 1smj n THR 146 Cb 0.00 -0.94 0.59 0.00 -1.82 0.00 0.00 70.33 68.16 1smj n THR 146 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1smj h ARG 147 N 0.00 0.00 0.01 -2.82 2.43 -0.13 -2.65 114.38 111.22 1smj h ARG 147 Ca 0.13 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1smj h ARG 147 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1smj h ARG 147 CO -0.31 0.09 -0.01 1.25 -1.51 0.00 0.00 179.97 179.48 1smj h LEU 148 N 0.00 -0.02 -0.71 3.80 6.46 0.13 -3.22 115.31 121.76 1smj h LEU 148 Ca -0.00 -0.78 0.15 0.00 -0.12 0.00 0.00 57.88 57.13 1smj h LEU 148 Cb 0.15 0.00 -0.13 0.00 -0.73 0.00 0.00 40.66 39.96 1smj h LEU 148 CO 0.01 0.83 -0.10 0.74 -0.62 0.00 0.00 178.44 179.30 1smj h THR 149 N -0.92 0.33 0.24 1.05 2.02 -0.95 -0.54 112.91 114.14 1smj h THR 149 Ca -0.00 -0.01 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1smj h THR 149 Cb 0.79 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.49 1smj h THR 149 CO 0.00 0.01 -0.12 0.25 0.37 0.00 0.00 175.52 176.03 1smj h LEU 150 N 0.04 -0.27 -0.62 2.58 5.85 -1.67 -2.19 115.31 119.02 1smj h LEU 150 Ca 0.36 0.01 0.25 0.00 0.84 0.00 0.00 57.88 59.34 1smj h LEU 150 Cb 0.58 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.57 1smj h LEU 150 CO -0.68 -0.07 0.31 0.47 -0.34 0.00 0.00 178.44 178.13 1smj n ASP 151 N -3.58 0.20 0.00 1.25 9.92 -1.20 0.38 116.55 123.52 1smj n ASP 151 Ca -0.04 1.03 0.00 0.00 -0.53 0.00 0.00 54.79 55.25 1smj n ASP 151 Cb 0.13 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 1smj n ASP 151 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 1smj n THR 152 N -4.43 0.00 -0.41 -3.53 -1.04 -0.21 -2.40 114.28 102.26 1smj n THR 152 Ca 0.23 0.92 0.33 0.00 -2.04 0.00 0.00 64.05 63.49 1smj n THR 152 Cb 0.78 -1.77 0.62 0.00 -1.82 0.00 0.00 70.33 68.14 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 0.26 0.00 12.58 6.09 -0.95 -0.10 117.51 135.39 1smj h ILE 153 Ca 0.00 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 1smj h ILE 153 Cb 0.00 0.08 0.00 0.00 0.47 0.00 0.00 36.82 37.37 1smj h ILE 153 CO 0.00 0.03 0.00 0.61 -3.07 0.00 0.00 178.15 175.72 1smj n GLY 154 N -1.55 -0.41 0.00 8.18 0.00 0.16 -1.60 105.19 109.97 1smj n GLY 154 Ca 0.33 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.19 0.00 -0.05 0.99 7.94 0.24 -2.26 117.00 123.68 1smj n LEU 155 Ca 0.00 0.67 -0.01 0.00 -1.11 0.00 0.00 56.01 55.56 1smj n LEU 155 Cb 0.00 -0.17 -0.01 0.00 0.53 0.00 0.00 43.42 43.77 1smj n LEU 155 CO 0.00 -0.17 0.07 0.00 -1.11 0.00 0.00 177.39 176.18 1smj h GLY 157 N 0.00 0.00 -0.25 0.00 0.00 -1.32 -3.41 103.07 98.09 1smj h GLY 157 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1smj h GLY 157 CO -0.10 0.00 -0.01 0.69 0.00 0.00 0.00 176.54 177.12 1smj n PHE 158 N -2.25 0.00 -2.76 5.60 3.72 -0.96 -2.87 117.46 117.94 1smj n PHE 158 Ca 0.04 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.32 1smj n PHE 158 Cb 0.45 0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 39.13 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 -1.05 -4.93 4.37 5.15 0.31 -4.91 115.26 114.21 1smj n ASN 159 Ca 0.00 -0.08 -0.28 0.00 -0.60 0.00 0.00 54.58 53.62 1smj n ASN 159 Cb 0.50 -0.98 -0.03 0.00 -0.53 0.00 0.00 39.78 38.74 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 -2.04 3.49 -0.58 1.20 5.04 -1.15 -4.86 117.35 118.45 1smj s TYR 160 Ca 0.23 0.27 0.04 0.00 -2.44 0.00 0.00 57.07 55.17 1smj s TYR 160 Cb -0.14 -1.78 0.16 0.00 0.35 0.00 0.00 41.96 40.54 1smj s TYR 160 CO 0.29 0.46 0.38 1.03 -1.34 0.00 0.00 175.55 176.37 1smj s ARG 161 N -3.13 1.90 0.61 4.97 0.52 -1.26 0.80 118.95 123.36 1smj s ARG 161 Ca 0.37 -2.77 0.14 0.00 -0.52 0.00 0.00 55.73 52.95 1smj s ARG 161 Cb -0.11 -2.86 0.78 0.00 0.52 0.00 0.00 34.95 33.27 1smj s ARG 161 CO 0.28 -1.25 1.41 0.74 0.02 0.00 0.00 175.30 176.51 1smj h PHE 162 N 5.87 0.00 -4.16 -0.53 0.04 -1.92 -3.45 116.94 112.80 1smj h PHE 162 Ca 0.10 0.00 -0.33 0.00 2.80 0.00 0.00 57.97 60.54 1smj h PHE 162 Cb 0.84 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.97 1smj h PHE 162 CO 0.55 0.00 -0.45 0.09 -0.60 0.00 0.00 178.31 177.90 1smj n ASN 163 N -2.57 -4.52 -0.19 2.17 4.13 -1.26 -4.92 115.26 108.09 1smj n ASN 163 Ca -0.01 -0.04 -0.01 0.00 1.68 0.00 0.00 54.58 56.20 1smj n ASN 163 Cb 0.64 -3.77 0.06 0.00 -1.54 0.00 0.00 39.78 35.18 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 -0.43 -0.46 0.00 6.41 0.02 -1.88 0.65 113.55 117.87 1smj h SER 164 Ca -0.39 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1smj h SER 164 Cb 1.28 0.33 0.00 0.00 0.14 0.00 0.00 62.40 64.15 1smj h SER 164 CO 0.46 -0.17 0.00 0.49 -1.14 0.00 0.00 176.83 176.47 1smj n PHE 165 N -5.36 0.00 0.04 3.45 3.72 -1.26 -1.20 117.46 116.84 1smj n PHE 165 Ca 0.07 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.48 1smj n PHE 165 Cb 0.31 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.86 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 -0.30 0.01 -5.15 1.38 4.02 0.23 -4.98 117.16 112.37 1smj n TYR 166 Ca 0.00 -0.11 -0.31 0.00 -0.01 0.00 0.00 57.90 57.47 1smj n TYR 166 Cb 0.00 -0.01 -0.17 0.00 -0.02 0.00 0.00 39.34 39.14 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 -0.32 2.87 0.49 -0.72 1.70 -0.34 -4.99 118.95 117.63 1smj s ARG 167 Ca 0.02 -0.83 0.15 0.00 -0.47 0.00 0.00 55.73 54.60 1smj s ARG 167 Cb 0.01 -2.19 1.15 0.00 -0.57 0.00 0.00 34.95 33.35 1smj s ARG 167 CO 0.02 0.17 2.08 0.38 -1.08 0.00 0.00 175.30 176.87 1smj h ASP 168 N 6.70 0.01 -3.67 -2.89 2.03 -1.94 -3.44 116.42 113.22 1smj h ASP 168 Ca -0.21 -0.00 -0.50 0.00 -0.73 0.00 0.00 57.03 55.59 1smj h ASP 168 Cb 1.23 -0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.74 1smj h ASP 168 CO 0.47 0.08 0.11 -1.10 -1.03 0.00 0.00 179.24 177.77 1smj s GLN 169 N -4.90 3.73 0.98 4.15 -1.52 -1.26 -5.07 119.66 115.78 1smj s GLN 169 Ca -0.05 0.41 -0.12 0.00 -1.95 0.00 0.00 55.36 53.66 1smj s GLN 169 Cb 0.16 -2.40 0.13 0.00 -0.22 0.00 0.00 33.01 30.69 1smj s GLN 169 CO 0.68 -0.06 0.81 -2.30 -0.25 0.00 0.00 175.29 174.17 1smj n PRO 170 N -1.45 -0.79 -2.95 2.91 -0.02 -1.26 -4.92 135.00 126.52 1smj n PRO 170 Ca 0.02 -0.18 -0.37 0.00 -2.02 0.00 0.00 63.50 60.95 1smj n PRO 170 Cb 0.54 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.83 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 -2.50 3.75 0.33 6.00 2.46 -1.26 -4.88 115.29 119.18 1smj s HIS 171 Ca 0.63 1.61 0.11 0.00 0.47 0.00 0.00 55.06 57.88 1smj s HIS 171 Cb -0.22 -2.77 0.97 0.00 -0.13 0.00 0.00 32.58 30.43 1smj s HIS 171 CO 0.63 0.35 1.66 -1.35 -2.47 0.00 0.00 174.74 173.56 1smj h PRO 172 N 3.61 0.30 0.08 2.88 0.11 -1.99 0.78 132.00 137.77 1smj h PRO 172 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1smj h PRO 172 Cb 1.20 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1smj h PRO 172 CO 0.65 0.20 -0.04 0.35 -0.21 0.00 0.00 178.00 178.96 1smj h PHE 173 N 0.31 -0.10 -0.68 0.65 3.57 -1.94 -0.96 116.94 117.79 1smj h PHE 173 Ca 0.68 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 62.28 1smj h PHE 173 Cb 1.49 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 40.18 1smj h PHE 173 CO -0.08 -0.03 0.29 0.82 -2.23 0.00 0.00 178.31 177.08 1smj h ILE 174 N -0.13 0.76 0.00 1.41 1.08 0.20 0.26 117.51 121.10 1smj h ILE 174 Ca -0.01 -0.17 0.02 0.00 -0.39 0.00 0.00 64.86 64.32 1smj h ILE 174 Cb 0.11 0.24 -0.06 0.00 -3.07 0.00 0.00 36.82 34.04 1smj h ILE 174 CO 0.02 0.09 -0.52 0.74 -0.69 0.00 0.00 178.15 177.78 1smj h THR 175 N 0.48 0.02 -0.41 -0.27 2.02 -0.70 0.14 112.91 114.19 1smj h THR 175 Ca 0.35 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.52 1smj h THR 175 Cb 0.44 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 1smj h THR 175 CO -0.32 0.00 0.20 0.28 0.37 0.00 0.00 175.52 176.05 1smj h SER 176 N -0.66 0.54 -0.38 4.18 0.02 -1.01 -1.34 113.55 114.89 1smj h SER 176 Ca 0.02 -0.13 0.08 0.00 -0.84 0.00 0.00 61.79 60.92 1smj h SER 176 Cb 0.72 -0.14 -0.09 0.00 0.14 0.00 0.00 62.40 63.03 1smj h SER 176 CO -0.35 0.51 -0.26 -0.03 -1.14 0.00 0.00 176.83 175.55 1smj h MET 177 N 0.52 -0.20 -0.63 3.45 -1.53 -0.37 1.55 114.93 117.72 1smj h MET 177 Ca 0.14 0.01 -0.06 0.00 -3.44 0.00 0.00 59.70 56.35 1smj h MET 177 Cb 0.12 0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.19 1smj h MET 177 CO -0.02 -0.13 0.15 -0.39 0.14 0.00 0.00 176.91 176.66 1smj h VAL 178 N -0.20 1.26 -0.27 -5.77 -1.51 -0.50 0.05 116.25 109.30 1smj h VAL 178 Ca 0.18 -0.94 -0.01 0.00 -1.23 0.00 0.00 66.70 64.70 1smj h VAL 178 Cb 0.49 0.65 -0.01 0.00 -2.13 0.00 0.00 31.29 30.29 1smj h VAL 178 CO -0.50 0.35 0.14 0.03 -1.23 0.00 0.00 177.57 176.37 1smj h ARG 179 N 0.94 0.39 -0.13 5.19 3.08 0.19 0.59 114.38 124.61 1smj h ARG 179 Ca 0.20 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.21 1smj h ARG 179 Cb 0.37 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1smj h ARG 179 CO 0.00 0.35 -0.17 0.00 -1.07 0.00 0.00 179.97 179.08 1smj h ALA 180 N 1.01 -0.44 -0.80 0.04 0.00 0.24 2.73 119.26 122.05 1smj h ALA 180 Ca 0.09 0.00 0.15 0.00 0.00 0.00 0.00 54.91 55.16 1smj h ALA 180 Cb 0.09 0.85 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 1smj h ALA 180 CO -0.01 -0.52 0.35 -0.07 0.00 0.00 0.00 179.25 179.00 1smj h LEU 181 N -0.12 0.36 -0.51 0.00 3.38 -0.93 0.49 115.31 117.99 1smj h LEU 181 Ca 0.02 0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 1smj h LEU 181 Cb 0.18 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1smj h LEU 181 CO -0.19 0.13 -0.17 -0.78 0.09 0.00 0.00 178.44 177.53 1smj h ASP 182 N 0.50 1.03 -0.13 -0.43 3.58 0.13 0.66 116.42 121.75 1smj h ASP 182 Ca 0.44 -0.38 0.03 0.00 0.42 0.00 0.00 57.03 57.54 1smj h ASP 182 Cb 0.67 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.41 1smj h ASP 182 CO -0.40 1.17 -0.04 -0.08 -2.88 0.00 0.00 179.24 177.00 1smj h GLU 183 N 0.88 -0.02 -0.54 0.28 4.57 0.54 0.81 114.58 121.11 1smj h GLU 183 Ca 0.12 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.33 1smj h GLU 183 Cb 0.74 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.30 1smj h GLU 183 CO 0.06 -0.01 0.32 0.00 -1.18 0.00 0.00 179.01 178.20 1smj h ALA 184 N 1.11 0.69 0.00 2.92 0.00 0.15 0.45 119.26 124.58 1smj h ALA 184 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1smj h ALA 184 Cb 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1smj h ALA 184 CO -0.15 0.03 -0.01 1.98 0.00 0.00 0.00 179.25 181.10 1smj h MET 185 N 0.64 0.00 -0.04 0.00 1.85 0.66 -2.72 114.93 115.31 1smj h MET 185 Ca 0.22 0.00 -0.24 0.00 -0.61 0.00 0.00 59.70 59.06 1smj h MET 185 Cb 0.03 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.07 1smj h MET 185 CO -0.10 0.01 -0.94 -0.91 -0.40 0.00 0.00 176.91 174.57 1smj h ASN 186 N 0.00 0.80 -0.72 1.39 2.35 0.23 -3.30 115.58 116.34 1smj h ASN 186 Ca -0.00 -0.61 0.15 0.00 -0.55 0.00 0.00 56.30 55.29 1smj h ASN 186 Cb 0.03 -0.24 -0.10 0.00 0.05 0.00 0.00 38.32 38.05 1smj h ASN 186 CO 0.00 1.40 0.20 0.11 -1.65 0.00 0.00 177.43 177.50 1smj h LYS 187 N 0.38 0.30 0.00 0.81 1.57 -0.87 -1.21 116.57 117.55 1smj h LYS 187 Ca -0.09 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1smj h LYS 187 Cb 1.58 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.82 1smj h LYS 187 CO 0.18 0.20 0.77 -0.07 -0.57 0.00 0.00 179.45 179.96 1smj h LEU 188 N 0.31 0.00 0.00 2.94 3.38 -1.64 -1.18 115.31 119.12 1smj h LEU 188 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1smj h LEU 188 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1smj h LEU 188 CO -0.46 0.00 -0.78 0.00 0.09 0.00 0.00 178.44 177.29 1smj n GLN 189 N -2.63 1.94 -1.92 1.13 6.02 -0.46 -4.94 117.38 116.53 1smj n GLN 189 Ca -0.01 -0.01 -0.32 0.00 -0.01 0.00 0.00 57.00 56.65 1smj n GLN 189 Cb 0.78 -1.22 -0.04 0.00 1.02 0.00 0.00 30.24 30.79 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 -2.46 2.42 0.00 -1.09 0.52 -0.45 -4.79 118.95 113.10 1smj s ARG 190 Ca 0.05 0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 55.72 1smj s ARG 190 Cb 0.11 -4.65 -0.00 0.00 0.52 0.00 0.00 34.95 30.93 1smj s ARG 190 CO 0.62 -3.17 0.35 0.00 0.02 0.00 0.00 175.30 173.11 1smj n ALA 191 N 14.18 -0.01 -3.95 2.13 0.00 -1.26 -4.25 120.51 127.34 1smj n ALA 191 Ca 0.31 0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.46 1smj n ALA 191 Cb 0.50 0.16 -0.15 0.00 0.00 0.00 0.00 19.45 19.96 1smj n ALA 191 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1smj s ASN 192 N -3.12 4.34 0.00 0.00 0.01 -1.26 -5.02 114.94 109.89 1smj s ASN 192 Ca -0.00 -1.70 0.06 0.00 -0.71 0.00 0.00 52.86 50.52 1smj s ASN 192 Cb 0.00 -1.36 0.39 0.00 0.41 0.00 0.00 41.25 40.69 1smj s ASN 192 CO 0.01 -0.32 0.79 -2.65 -1.51 0.00 0.00 177.10 173.42 1smj n PRO 193 N 4.50 0.36 0.00 -0.60 -0.02 -1.26 -3.71 135.00 134.26 1smj n PRO 193 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1smj n PRO 193 Cb 0.43 -1.28 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 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 -0.78 3.57 -0.87 2.55 10.43 -1.26 -4.94 116.55 125.24 1smj n ASP 194 Ca 0.05 0.00 -0.10 0.00 2.57 0.00 0.00 54.79 57.30 1smj n ASP 194 Cb 0.02 0.39 -0.03 0.00 1.84 0.00 0.00 41.12 43.35 1smj n ASP 194 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1smj n ASP 195 N -1.52 0.11 -0.18 -2.24 2.03 -1.24 -4.42 116.55 109.09 1smj n ASP 195 Ca 0.00 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1smj n ASP 195 Cb 0.32 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 1smj n ASP 195 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1smj n PRO 196 N 1.58 0.02 -0.28 -0.67 -0.02 -1.26 -2.19 135.00 132.18 1smj n PRO 196 Ca 0.12 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.74 1smj n PRO 196 Cb -0.00 -1.00 0.40 0.00 -0.02 0.00 0.00 33.50 32.87 1smj n PRO 196 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1smj h ALA 197 N 1.03 1.89 -0.47 3.55 0.00 -1.96 -2.04 119.26 121.27 1smj h ALA 197 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1smj h ALA 197 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1smj h ALA 197 CO 0.00 -0.16 0.00 0.66 0.00 0.00 0.00 179.25 179.75 1smj n TYR 198 N -4.58 1.18 0.08 0.00 4.01 -0.93 -4.18 117.16 112.74 1smj n TYR 198 Ca 0.19 -0.46 -0.08 0.00 -0.16 0.00 0.00 57.90 57.39 1smj n TYR 198 Cb 0.54 -0.24 0.04 0.00 -0.31 0.00 0.00 39.34 39.37 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 2.99 0.32 0.52 7.72 3.32 -1.63 -0.90 116.42 128.77 1smj h ASP 199 Ca 0.00 -0.22 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1smj h ASP 199 Cb 1.22 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 1smj h ASP 199 CO 0.21 0.96 -0.40 -0.33 -1.72 0.00 0.00 179.24 177.95 1smj h GLU 200 N 0.17 -0.88 -1.08 3.56 3.07 -1.81 -2.11 114.58 115.50 1smj h GLU 200 Ca -0.03 0.06 0.29 0.00 -0.50 0.00 0.00 59.36 59.18 1smj h GLU 200 Cb 1.33 0.20 -0.09 0.00 -0.84 0.00 0.00 28.75 29.34 1smj h GLU 200 CO 0.12 -0.58 0.70 -0.91 -1.40 0.00 0.00 179.01 176.93 1smj h ASN 201 N -0.91 0.39 -0.06 1.42 -0.26 -1.79 1.48 115.58 115.85 1smj h ASN 201 Ca -0.06 0.08 -0.19 0.00 -0.56 0.00 0.00 56.30 55.57 1smj h ASN 201 Cb 0.77 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 1smj h ASN 201 CO 0.00 0.05 -0.67 0.11 -1.06 0.00 0.00 177.43 175.87 1smj h LYS 202 N 0.33 0.69 0.17 0.81 1.57 -0.84 0.11 116.57 119.41 1smj h LYS 202 Ca 0.62 -0.50 -0.30 0.00 -1.87 0.00 0.00 60.65 58.60 1smj h LYS 202 Cb 1.67 0.09 0.02 0.00 0.08 0.00 0.00 32.23 34.09 1smj h LYS 202 CO -0.29 1.12 -1.32 -0.09 -0.57 0.00 0.00 179.45 178.30 1smj h ARG 203 N 0.50 0.39 0.78 3.15 2.43 0.09 -1.68 114.38 120.04 1smj h ARG 203 Ca -0.02 -0.65 -0.03 0.00 -0.81 0.00 0.00 59.98 58.46 1smj h ARG 203 Cb 1.26 0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 31.05 1smj h ARG 203 CO 0.13 1.31 -0.44 0.37 -1.51 0.00 0.00 179.97 179.83 1smj h GLN 204 N 0.12 -1.10 -0.95 0.20 5.75 0.19 0.33 115.11 119.64 1smj h GLN 204 Ca -0.18 0.07 0.26 0.00 -0.15 0.00 0.00 58.65 58.66 1smj h GLN 204 Cb 2.03 0.25 -0.17 0.00 1.07 0.00 0.00 27.48 30.66 1smj h GLN 204 CO 0.23 -0.73 0.06 0.35 -2.65 0.00 0.00 178.83 176.09 1smj h PHE 205 N -1.14 0.01 0.00 3.99 3.57 -0.84 0.22 116.94 122.76 1smj h PHE 205 Ca -0.10 0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 1smj h PHE 205 Cb 0.90 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 1smj h PHE 205 CO -0.08 -0.39 -0.53 1.96 -2.23 0.00 0.00 178.31 177.04 1smj h GLN 206 N 0.04 0.00 -0.25 1.11 1.08 -0.79 -2.56 115.11 113.74 1smj h GLN 206 Ca 0.58 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.69 1smj h GLN 206 Cb 1.20 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.62 1smj h GLN 206 CO -0.87 0.53 -0.22 1.49 -0.95 0.00 0.00 178.83 178.81 1smj h GLU 207 N 0.00 0.59 -0.22 1.46 4.81 0.27 -2.00 114.58 119.49 1smj h GLU 207 Ca -0.01 -0.30 -0.12 0.00 -0.13 0.00 0.00 59.36 58.80 1smj h GLU 207 Cb 1.29 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.67 1smj h GLU 207 CO 0.07 0.89 -0.37 -0.44 -0.73 0.00 0.00 179.01 178.43 1smj h ASP 208 N 0.30 0.52 -0.16 1.04 3.32 -1.08 -2.32 116.42 118.04 1smj h ASP 208 Ca 0.04 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.88 1smj h ASP 208 Cb 0.77 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 1smj h ASP 208 CO 0.06 0.85 0.06 0.40 -1.72 0.00 0.00 179.24 178.89 1smj h ILE 209 N 0.42 0.97 0.00 0.35 2.04 -1.33 -0.93 117.51 119.03 1smj h ILE 209 Ca 0.04 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1smj h ILE 209 Cb 0.84 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1smj h ILE 209 CO 0.07 0.03 0.00 0.11 0.00 0.00 0.00 178.15 178.36 1smj h LYS 210 N 0.15 0.00 0.00 2.37 1.79 -1.29 0.14 116.57 119.72 1smj h LYS 210 Ca 0.07 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.50 1smj h LYS 210 Cb 0.03 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1smj h LYS 210 CO -0.06 0.00 -0.22 0.28 -1.08 0.00 0.00 179.45 178.37 1smj h VAL 211 N 0.00 1.49 0.00 0.50 2.07 -0.63 -1.88 116.25 117.80 1smj h VAL 211 Ca 0.00 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.32 1smj h VAL 211 Cb 0.14 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1smj h VAL 211 CO 0.00 0.50 0.00 0.23 0.02 0.00 0.00 177.57 178.32 1smj n MET 212 N -4.59 0.00 -0.27 1.57 2.81 -0.57 -1.44 117.12 114.63 1smj n MET 212 Ca -0.13 0.75 0.27 0.00 -1.81 0.00 0.00 57.70 56.78 1smj n MET 212 Cb 0.48 -1.42 0.49 0.00 -0.71 0.00 0.00 33.22 32.05 1smj n MET 212 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1smj n ASN 213 N -2.38 0.28 -0.00 7.83 3.02 0.47 0.32 115.26 124.80 1smj n ASN 213 Ca 0.00 1.42 -0.06 0.00 -0.03 0.00 0.00 54.58 55.91 1smj n ASN 213 Cb 0.00 -0.68 0.14 0.00 -0.61 0.00 0.00 39.78 38.63 1smj n ASN 213 CO 0.00 0.00 0.00 0.44 -2.62 0.00 0.00 177.26 175.08 1smj h ASP 214 N 0.00 0.55 -0.33 6.41 5.19 -0.81 -0.25 116.42 127.19 1smj h ASP 214 Ca 0.71 -0.22 -0.03 0.00 -0.62 0.00 0.00 57.03 56.88 1smj h ASP 214 Cb 1.88 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 41.22 1smj h ASP 214 CO -0.67 0.85 0.09 0.25 -3.12 0.00 0.00 179.24 176.65 1smj h LEU 215 N 0.46 0.49 0.02 1.55 5.85 0.64 -2.88 115.31 121.44 1smj h LEU 215 Ca 0.05 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.56 1smj h LEU 215 Cb 0.80 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1smj h LEU 215 CO 0.07 0.58 -0.11 0.58 -0.34 0.00 0.00 178.44 179.22 1smj h VAL 216 N 0.38 0.00 -0.67 1.05 2.07 -0.76 0.20 116.25 118.52 1smj h VAL 216 Ca 0.11 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.85 1smj h VAL 216 Cb 0.27 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.98 1smj h VAL 216 CO -0.00 0.00 0.45 0.47 0.02 0.00 0.00 177.57 178.51 1smj n ASP 217 N -3.05 0.07 0.05 0.57 9.92 -0.16 0.18 116.55 124.13 1smj n ASP 217 Ca -0.02 0.58 -0.02 0.00 -0.53 0.00 0.00 54.79 54.80 1smj n ASP 217 Cb 0.08 -0.28 -0.07 0.00 -0.64 0.00 0.00 41.12 40.20 1smj n ASP 217 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1smj h LYS 218 N 0.00 0.00 0.18 -1.24 1.79 -0.40 -2.39 116.57 114.50 1smj h LYS 218 Ca 0.40 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.86 1smj h LYS 218 Cb 1.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1smj h LYS 218 CO -0.16 0.50 -0.09 0.82 -1.08 0.00 0.00 179.45 179.44 1smj h ILE 219 N 0.00 0.88 0.01 1.86 2.04 0.25 -1.80 117.51 120.75 1smj h ILE 219 Ca -0.12 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 64.74 1smj h ILE 219 Cb 1.65 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 39.09 1smj h ILE 219 CO 0.07 0.21 -0.52 0.40 0.00 0.00 0.00 178.15 178.31 1smj h ILE 220 N -0.80 0.03 -0.31 -0.67 2.04 -1.66 -1.88 117.51 114.26 1smj h ILE 220 Ca -0.02 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.91 1smj h ILE 220 Cb 0.52 0.03 -0.08 0.00 -0.74 0.00 0.00 36.82 36.55 1smj h ILE 220 CO 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 178.15 177.97 1smj h ALA 221 N -0.36 -0.02 -0.55 1.87 0.00 -1.46 0.20 119.26 118.94 1smj h ALA 221 Ca 0.02 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1smj h ALA 221 Cb 0.72 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 1smj h ALA 221 CO -0.35 -0.61 -0.23 -3.47 0.00 0.00 0.00 179.25 174.59 1smj n ASP 222 N -5.37 -0.39 0.00 0.00 2.03 -0.68 -1.76 116.55 110.38 1smj n ASP 222 Ca 0.00 0.96 0.00 0.00 0.52 0.00 0.00 54.79 56.27 1smj n ASP 222 Cb 0.28 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1smj n ASP 222 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1smj n ARG 223 N -4.79 0.00 -0.06 -0.67 3.00 0.61 -3.03 116.66 111.72 1smj n ARG 223 Ca 0.05 0.41 -0.01 0.00 -0.00 0.00 0.00 57.85 58.29 1smj n ARG 223 Cb 0.21 -1.32 -0.01 0.00 0.00 0.00 0.00 32.46 31.33 1smj n ARG 223 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1smj n LYS 224 N -1.72 -0.06 -2.50 -0.14 4.76 -0.62 -1.54 118.16 116.33 1smj n LYS 224 Ca 0.00 0.23 -0.43 0.00 -2.87 0.00 0.00 58.31 55.24 1smj n LYS 224 Cb 0.00 -0.33 0.01 0.00 -1.84 0.00 0.00 35.03 32.86 1smj n LYS 224 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1smj n ALA 225 N -3.89 5.38 -2.30 7.82 0.00 -0.72 -5.00 120.51 121.79 1smj n ALA 225 Ca 0.00 -4.45 -0.17 0.00 0.00 0.00 0.00 53.44 48.82 1smj n ALA 225 Cb 0.04 -2.80 -0.09 0.00 0.00 0.00 0.00 19.45 16.60 1smj n ALA 225 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1smj s SER 226 N 0.08 1.27 -0.82 0.00 1.04 -0.59 -4.88 113.70 109.80 1smj s SER 226 Ca 0.38 -1.53 -0.15 0.00 0.48 0.00 0.00 55.95 55.13 1smj s SER 226 Cb 0.09 0.38 0.20 0.00 0.10 0.00 0.00 66.02 66.79 1smj s SER 226 CO 0.03 -0.88 0.79 -0.83 0.98 0.00 0.00 173.24 173.33 1smj s GLY 227 N -3.33 2.52 0.00 7.32 0.00 -1.26 -5.04 107.32 107.53 1smj s GLY 227 Ca 0.37 -3.18 0.00 0.00 0.00 0.00 0.00 44.72 41.91 1smj s GLY 227 CO 0.17 1.35 0.00 -1.84 0.00 0.00 0.00 173.10 172.78 1smj n GLU 228 N 4.41 0.00 -3.13 2.90 0.28 -1.26 -4.95 120.64 118.89 1smj n GLU 228 Ca 0.13 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 56.99 1smj n GLU 228 Cb 0.47 0.00 0.05 0.00 1.43 0.00 0.00 31.44 33.39 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 -4.74 -3.30 3.44 1.13 -1.26 -5.03 117.38 107.62 1smj n GLN 229 Ca 0.00 0.50 -0.40 0.00 -1.94 0.00 0.00 57.00 55.16 1smj n GLN 229 Cb 0.00 -4.55 -0.08 0.00 0.11 0.00 0.00 30.24 25.72 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 -3.27 6.32 -1.15 1.08 0.01 -1.26 -4.97 113.70 110.46 1smj s SER 230 Ca 0.31 0.19 -0.09 0.00 1.31 0.00 0.00 55.95 57.67 1smj s SER 230 Cb -0.14 -2.25 0.25 0.00 0.21 0.00 0.00 66.02 64.09 1smj s SER 230 CO 0.44 -0.33 1.34 -0.67 0.41 0.00 0.00 173.24 174.43 1smj n ASP 231 N 5.54 5.57 -4.63 2.44 2.03 -1.26 -4.60 116.55 121.63 1smj n ASP 231 Ca -0.06 -3.10 -0.29 0.00 0.52 0.00 0.00 54.79 51.87 1smj n ASP 231 Cb 0.50 -1.42 -0.10 0.00 -0.72 0.00 0.00 41.12 39.37 1smj n ASP 231 CO 0.00 0.00 0.00 1.51 -1.92 0.00 0.00 177.20 176.79 1smj s ASP 232 N 1.12 3.84 0.52 1.67 1.47 -1.26 -5.00 116.67 119.04 1smj s ASP 232 Ca 0.35 -1.43 0.21 0.00 1.18 0.00 0.00 52.55 52.86 1smj s ASP 232 Cb -0.04 -0.20 1.12 0.00 -0.34 0.00 0.00 42.92 43.46 1smj s ASP 232 CO -0.02 -0.54 1.59 0.25 0.68 0.00 0.00 175.17 177.13 1smj h LEU 233 N 1.71 0.00 0.03 2.11 6.46 -1.78 -1.96 115.31 121.88 1smj h LEU 233 Ca -0.44 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.22 1smj h LEU 233 Cb 1.25 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 1smj h LEU 233 CO 0.79 0.00 -0.53 0.25 -0.62 0.00 0.00 178.44 178.33 1smj h LEU 234 N 0.00 0.10 -0.61 2.25 5.85 -1.89 -2.85 115.31 118.16 1smj h LEU 234 Ca 0.00 -0.87 0.10 0.00 0.84 0.00 0.00 57.88 57.95 1smj h LEU 234 Cb 0.75 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 1smj h LEU 234 CO 0.00 1.22 0.18 0.71 -0.34 0.00 0.00 178.44 180.22 1smj h THR 235 N -0.84 0.71 0.00 1.05 1.35 -1.61 0.85 112.91 114.42 1smj h THR 235 Ca -0.13 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1smj h THR 235 Cb 1.23 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.99 1smj h THR 235 CO -0.02 0.06 0.23 0.45 -0.25 0.00 0.00 175.52 176.00 1smj h HIS 236 N 0.34 0.00 0.04 4.73 3.86 -1.60 0.27 115.15 122.79 1smj h HIS 236 Ca 0.31 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 59.14 1smj h HIS 236 Cb 0.43 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.85 1smj h HIS 236 CO -0.20 0.00 -2.29 -1.33 0.86 0.00 0.00 177.93 174.97 1smj n MET 237 N -2.17 0.68 0.08 2.45 2.00 0.28 -3.49 117.12 116.95 1smj n MET 237 Ca -0.01 0.21 0.12 0.00 0.00 0.00 0.00 57.70 58.02 1smj n MET 237 Cb 0.26 -1.59 0.11 0.00 0.00 0.00 0.00 33.22 32.01 1smj n MET 237 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1smj h LEU 238 N -0.09 0.00 0.00 4.03 3.38 -0.83 -3.40 115.31 118.41 1smj h LEU 238 Ca -0.53 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1smj h LEU 238 Cb 1.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1smj h LEU 238 CO -0.06 0.07 -0.72 0.59 0.09 0.00 0.00 178.44 178.41 1smj n ASN 239 N -2.34 3.60 -4.84 -0.43 5.03 0.94 -4.94 115.26 112.28 1smj n ASN 239 Ca 0.02 -0.10 -0.34 0.00 0.87 0.00 0.00 54.58 55.04 1smj n ASN 239 Cb 0.48 0.92 -0.06 0.00 -1.02 0.00 0.00 39.78 40.09 1smj n ASN 239 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1smj s GLY 240 N -1.64 2.42 0.21 7.41 0.00 -1.23 -4.96 107.32 109.54 1smj s GLY 240 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 44.72 44.87 1smj s GLY 240 CO 0.00 0.33 0.02 0.54 0.00 0.00 0.00 173.10 173.98 1smj s LYS 241 N -2.64 2.42 -0.37 2.90 1.02 -1.26 -4.17 119.74 117.64 1smj s LYS 241 Ca 0.50 -1.19 -0.26 0.00 0.02 0.00 0.00 55.97 55.04 1smj s LYS 241 Cb -0.12 -2.32 0.02 0.00 -0.52 0.00 0.00 37.83 34.88 1smj s LYS 241 CO 0.19 0.42 0.93 0.34 -0.92 0.00 0.00 175.35 176.31 1smj s ASP 242 N -3.24 6.67 0.30 2.83 2.15 -0.23 -4.80 116.67 120.35 1smj s ASP 242 Ca 0.29 0.55 0.09 0.00 0.43 0.00 0.00 52.55 53.91 1smj s ASP 242 Cb -0.08 -2.46 0.90 0.00 -0.30 0.00 0.00 42.92 40.97 1smj s ASP 242 CO 0.20 -0.87 1.42 -0.81 -0.17 0.00 0.00 175.17 174.94 1smj n PRO 243 N 6.80 -0.06 -0.10 4.34 -0.04 -1.26 -1.59 135.00 143.09 1smj n PRO 243 Ca 0.07 1.31 0.06 0.00 -0.04 0.00 0.00 63.50 64.90 1smj n PRO 243 Cb 0.48 -2.19 0.23 0.00 -0.04 0.00 0.00 33.50 31.98 1smj n PRO 243 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1smj n GLU 244 N -5.21 1.54 0.00 0.54 2.13 -1.26 -4.08 120.64 114.30 1smj n GLU 244 Ca 0.26 -0.83 0.00 0.00 0.66 0.00 0.00 57.16 57.25 1smj n GLU 244 Cb 0.88 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 31.34 1smj n GLU 244 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1smj n THR 245 N 0.13 0.00 0.00 6.31 -2.24 -0.62 -5.03 114.28 112.83 1smj n THR 245 Ca 0.11 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1smj n THR 245 Cb 0.22 0.55 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.38 2.75 3.71 3.38 0.00 -0.76 -5.01 105.19 109.63 1smj n GLY 246 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.05 4.44 0.95 1.61 0.41 -1.26 -4.53 118.70 120.28 1smj s GLU 247 Ca 0.00 1.69 -0.14 0.00 -0.41 0.00 0.00 54.97 56.11 1smj s GLU 247 Cb 0.00 -3.40 0.17 0.00 -1.78 0.00 0.00 34.13 29.12 1smj s GLU 247 CO 0.00 -0.25 1.20 -1.25 -0.49 0.00 0.00 175.26 174.47 1smj s PRO 248 N 1.23 0.76 0.16 0.39 0.04 -1.26 -1.06 135.00 135.26 1smj s PRO 248 Ca 0.57 -0.01 -0.30 0.00 0.04 0.00 0.00 61.00 61.30 1smj s PRO 248 Cb -0.27 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1smj s PRO 248 CO 0.28 -2.40 1.20 -0.51 0.04 0.00 0.00 177.00 175.61 1smj s LEU 249 N -6.05 4.44 0.33 -3.56 1.43 -1.26 -4.95 118.68 109.06 1smj s LEU 249 Ca 0.68 2.19 -0.29 0.00 -1.03 0.00 0.00 54.13 55.68 1smj s LEU 249 Cb -0.10 -3.60 -0.10 0.00 0.03 0.00 0.00 46.19 42.42 1smj s LEU 249 CO 0.53 -0.38 1.35 1.51 0.23 0.00 0.00 176.35 179.59 1smj s ASP 250 N 0.28 6.68 0.19 2.29 1.47 -1.26 -4.76 116.67 121.56 1smj s ASP 250 Ca 0.54 2.76 -0.10 0.00 1.18 0.00 0.00 52.55 56.92 1smj s ASP 250 Cb -0.32 -2.65 0.25 0.00 -0.34 0.00 0.00 42.92 39.86 1smj s ASP 250 CO 0.35 -0.62 1.18 0.47 0.68 0.00 0.00 175.17 177.23 1smj n ASP 251 N 0.89 -0.41 -0.34 2.11 8.00 -1.26 -0.28 116.55 125.25 1smj n ASP 251 Ca 0.01 1.32 0.08 0.00 0.71 0.00 0.00 54.79 56.91 1smj n ASP 251 Cb 0.41 -0.34 0.27 0.00 -0.02 0.00 0.00 41.12 41.44 1smj n ASP 251 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1smj h GLU 252 N 0.00 0.90 0.19 -1.24 4.81 -2.00 0.13 114.58 117.37 1smj h GLU 252 Ca 0.30 -0.05 -0.28 0.00 -0.13 0.00 0.00 59.36 59.20 1smj h GLU 252 Cb 0.49 -0.20 0.02 0.00 0.63 0.00 0.00 28.75 29.69 1smj h GLU 252 CO -0.76 0.60 -1.31 -0.97 -0.73 0.00 0.00 179.01 175.83 1smj h ASN 253 N 0.93 0.63 -0.98 1.04 -0.73 -1.67 -2.89 115.58 111.90 1smj h ASN 253 Ca 0.49 -0.92 0.31 0.00 1.87 0.00 0.00 56.30 58.05 1smj h ASN 253 Cb 0.56 -0.20 -0.18 0.00 0.27 0.00 0.00 38.32 38.76 1smj h ASN 253 CO -0.26 1.61 0.17 -0.38 -0.37 0.00 0.00 177.43 178.20 1smj n ILE 254 N -3.86 -0.41 0.02 2.57 5.41 0.61 -1.24 119.36 122.45 1smj n ILE 254 Ca -0.18 2.11 -0.01 0.00 1.00 0.00 0.00 62.75 65.67 1smj n ILE 254 Cb 0.98 -3.18 -0.00 0.00 -0.71 0.00 0.00 39.64 36.73 1smj n ILE 254 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1smj h ARG 255 N 0.00 -0.04 -0.43 0.38 1.12 -0.67 -1.54 114.38 113.20 1smj h ARG 255 Ca 0.66 0.00 0.15 0.00 -1.11 0.00 0.00 59.98 59.69 1smj h ARG 255 Cb 1.51 0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 31.43 1smj h ARG 255 CO -0.88 -0.03 0.27 0.66 -3.11 0.00 0.00 179.97 176.89 1smj n TYR 256 N -2.14 0.26 0.11 2.20 4.01 -1.03 0.02 117.16 120.59 1smj n TYR 256 Ca -0.01 0.26 -0.02 0.00 -0.16 0.00 0.00 57.90 57.98 1smj n TYR 256 Cb 0.02 -0.64 0.06 0.00 -0.31 0.00 0.00 39.34 38.47 1smj n TYR 256 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1smj h GLN 257 N 0.00 0.00 0.43 -0.72 1.08 -0.12 -0.07 115.11 115.71 1smj h GLN 257 Ca 0.29 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.47 1smj h GLN 257 Cb 0.90 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 1smj h GLN 257 CO -0.17 0.73 -0.21 0.82 -0.95 0.00 0.00 178.83 179.05 1smj h ILE 258 N 0.00 0.00 -0.35 2.54 2.04 -0.20 -2.09 117.51 119.45 1smj h ILE 258 Ca -0.01 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.53 1smj h ILE 258 Cb 1.36 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1smj h ILE 258 CO 0.10 0.00 -0.21 -0.38 0.00 0.00 0.00 178.15 177.66 1smj n ILE 259 N -4.52 -0.24 -0.24 -0.67 5.41 -1.09 0.16 119.36 118.17 1smj n ILE 259 Ca -0.07 1.35 0.32 0.00 1.00 0.00 0.00 62.75 65.35 1smj n ILE 259 Cb 0.23 -1.72 0.73 0.00 -0.71 0.00 0.00 39.64 38.16 1smj n ILE 259 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1smj h THR 260 N 0.00 0.41 0.00 1.39 2.02 -0.90 0.18 112.91 116.00 1smj h THR 260 Ca 0.06 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.97 1smj h THR 260 Cb 0.14 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 1smj h THR 260 CO -0.33 0.00 -2.16 0.49 0.37 0.00 0.00 175.52 173.89 1smj n PHE 261 N -4.09 0.16 -0.06 3.16 3.01 0.43 -3.09 117.46 116.98 1smj n PHE 261 Ca 0.22 0.06 -0.14 0.00 1.01 0.00 0.00 57.45 58.59 1smj n PHE 261 Cb 1.13 -0.91 -0.06 0.00 -0.01 0.00 0.00 39.48 39.63 1smj n PHE 261 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1smj h LEU 262 N 0.00 0.66 0.00 4.37 3.38 0.11 -2.36 115.31 121.47 1smj h LEU 262 Ca -0.37 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1smj h LEU 262 Cb 1.89 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.45 1smj h LEU 262 CO 0.03 1.08 0.00 -0.38 0.09 0.00 0.00 178.44 179.25 1smj n ILE 263 N -4.28 0.00 -0.28 1.22 5.41 -0.63 -3.61 119.36 117.20 1smj n ILE 263 Ca -0.06 0.25 0.28 0.00 1.00 0.00 0.00 62.75 64.23 1smj n ILE 263 Cb 0.51 -0.62 0.43 0.00 -0.71 0.00 0.00 39.64 39.25 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 -0.18 0.01 -1.07 0.38 4.07 -1.18 -0.73 120.64 121.94 1smj n GLU 264 Ca 0.00 0.85 -0.11 0.00 -0.06 0.00 0.00 57.16 57.84 1smj n GLU 264 Cb 0.00 -2.07 0.27 0.00 -0.06 0.00 0.00 31.44 29.58 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 -1.60 3.93 0.00 8.31 0.00 -0.89 -4.29 105.19 110.65 1smj n GLY 265 Ca 0.24 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.45 0.00 -0.05 1.61 1.44 0.10 -4.56 115.22 113.30 1smj n HIS 266 Ca 0.46 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 56.09 1smj n HIS 266 Cb 1.46 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 31.55 1smj n HIS 266 CO 0.00 0.00 0.00 1.49 -2.81 0.00 0.00 176.34 175.02 1smj h GLU 267 N 0.00 -0.09 0.00 -1.40 4.57 -1.46 -2.71 114.58 113.49 1smj h GLU 267 Ca 0.00 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1smj h GLU 267 Cb 0.00 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1smj h GLU 267 CO 0.00 -0.06 0.00 1.79 -1.18 0.00 0.00 179.01 179.56 1smj h THR 268 N -0.10 0.00 0.00 0.32 1.35 -1.82 -2.80 112.91 109.87 1smj h THR 268 Ca 0.12 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 1smj h THR 268 Cb 0.28 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1smj h THR 268 CO -0.29 0.00 0.00 0.41 -0.25 0.00 0.00 175.52 175.39 1smj n THR 269 N -2.74 0.00 -0.21 6.82 -1.04 -1.05 -2.80 114.28 113.26 1smj n THR 269 Ca 0.02 0.36 0.19 0.00 -2.04 0.00 0.00 64.05 62.59 1smj n THR 269 Cb 0.32 -1.20 0.36 0.00 -1.82 0.00 0.00 70.33 67.99 1smj n THR 269 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1smj n SER 270 N -1.85 0.19 -0.22 8.00 3.41 -1.05 0.12 113.62 122.22 1smj n SER 270 Ca 0.00 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1smj n SER 270 Cb 0.00 -0.51 0.12 0.00 -0.26 0.00 0.00 64.21 63.55 1smj n SER 270 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1smj h GLY 271 N 0.00 0.93 0.61 5.00 0.00 -1.57 -1.01 103.07 107.04 1smj h GLY 271 Ca 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.69 1smj h GLY 271 CO -0.52 0.02 -0.11 -2.00 0.00 0.00 0.00 176.54 173.93 1smj h LEU 272 N 0.49 -0.26 0.00 3.11 5.85 0.11 1.73 115.31 126.34 1smj h LEU 272 Ca 0.32 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.80 1smj h LEU 272 Cb 0.36 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1smj h LEU 272 CO -0.28 0.13 0.00 0.18 -0.34 0.00 0.00 178.44 178.13 1smj n LEU 273 N -5.06 0.00 -0.34 2.25 4.77 -0.45 -0.60 117.00 117.57 1smj n LEU 273 Ca -0.09 0.95 0.06 0.00 -0.03 0.00 0.00 56.01 56.89 1smj n LEU 273 Cb 0.25 -0.45 0.13 0.00 -2.33 0.00 0.00 43.42 41.03 1smj n LEU 273 CO 0.30 -0.45 0.63 -1.20 -1.33 0.00 0.00 177.39 175.35 1smj n SER 274 N -2.74 -0.34 0.15 -1.43 7.64 -0.40 0.13 113.62 116.62 1smj n SER 274 Ca 0.00 1.65 0.14 0.00 1.01 0.00 0.00 58.87 61.67 1smj n SER 274 Cb 0.00 -0.50 0.68 0.00 -1.01 0.00 0.00 64.21 63.38 1smj n SER 274 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1smj h PHE 275 N 0.00 0.00 0.00 1.43 0.04 0.45 -2.15 116.94 116.71 1smj h PHE 275 Ca 0.46 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.22 1smj h PHE 275 Cb 0.70 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.85 1smj h PHE 275 CO -0.74 0.00 -0.26 0.00 -0.60 0.00 0.00 178.31 176.72 1smj h ALA 276 N 1.87 0.02 -0.87 2.45 0.00 0.35 -2.42 119.26 120.66 1smj h ALA 276 Ca 0.11 -0.29 0.25 0.00 0.00 0.00 0.00 54.91 54.98 1smj h ALA 276 Cb 0.45 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1smj h ALA 276 CO -0.00 0.22 0.70 1.25 0.00 0.00 0.00 179.25 181.42 1smj h LEU 277 N -1.00 0.00 0.17 0.00 5.85 -1.13 0.75 115.31 119.95 1smj h LEU 277 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1smj h LEU 277 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1smj h LEU 277 CO -0.01 0.00 -0.08 0.22 -0.34 0.00 0.00 178.44 178.23 1smj h TYR 278 N 0.00 -0.21 -0.68 1.25 3.20 -1.29 -2.39 116.97 116.84 1smj h TYR 278 Ca 0.41 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.29 1smj h TYR 278 Cb 1.81 0.07 -0.03 0.00 1.54 0.00 0.00 36.73 40.12 1smj h TYR 278 CO 0.00 0.20 0.45 0.74 -1.64 0.00 0.00 178.16 177.91 1smj h PHE 279 N -0.72 0.84 0.00 -3.82 0.04 0.84 -2.70 116.94 111.42 1smj h PHE 279 Ca -0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1smj h PHE 279 Cb 0.51 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.37 1smj h PHE 279 CO 0.07 0.52 0.00 1.28 -0.60 0.00 0.00 178.31 179.57 1smj n LEU 280 N -4.44 0.00 -0.55 1.54 4.77 0.76 -0.41 117.00 118.67 1smj n LEU 280 Ca 0.07 0.87 0.43 0.00 -0.03 0.00 0.00 56.01 57.36 1smj n LEU 280 Cb 0.06 -0.37 0.66 0.00 -2.33 0.00 0.00 43.42 41.44 1smj n LEU 280 CO 0.36 -0.37 1.26 0.52 -1.33 0.00 0.00 177.39 177.83 1smj n VAL 281 N -1.76 0.00 0.97 4.08 0.31 -0.91 0.13 118.33 121.15 1smj n VAL 281 Ca 0.00 1.26 0.11 0.00 -0.01 0.00 0.00 64.34 65.71 1smj n VAL 281 Cb 0.00 -2.13 0.04 0.00 -0.91 0.00 0.00 33.84 30.84 1smj n VAL 281 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1smj n LYS 282 N -3.56 1.73 -3.61 5.55 4.76 -0.86 -4.48 118.16 117.70 1smj n LYS 282 Ca 0.36 -1.42 -0.29 0.00 -2.87 0.00 0.00 58.31 54.09 1smj n LYS 282 Cb 1.70 -1.45 -0.12 0.00 -1.84 0.00 0.00 35.03 33.31 1smj n LYS 282 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1smj s ASN 283 N -2.19 3.08 0.00 4.39 0.02 0.12 -5.04 114.94 115.33 1smj s ASN 283 Ca 0.22 -2.85 0.23 0.00 -1.02 0.00 0.00 52.86 49.45 1smj s ASN 283 Cb 0.18 -0.84 1.34 0.00 0.02 0.00 0.00 41.25 41.95 1smj s ASN 283 CO 0.43 -0.22 1.74 -0.81 0.02 0.00 0.00 177.10 178.26 1smj n PRO 284 N 3.21 0.67 -0.11 -0.60 -0.05 -1.23 -2.18 135.00 134.72 1smj n PRO 284 Ca 0.17 0.01 -0.19 0.00 -0.05 0.00 0.00 63.50 63.44 1smj n PRO 284 Cb 0.39 -1.50 -0.07 0.00 -0.05 0.00 0.00 33.50 32.26 1smj n PRO 284 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1smj n HIS 285 N -1.04 0.36 -0.29 0.54 8.25 -1.26 -2.00 115.22 119.79 1smj n HIS 285 Ca 0.16 0.16 -0.04 0.00 -0.26 0.00 0.00 57.72 57.74 1smj n HIS 285 Cb 0.09 -0.86 -0.01 0.00 1.12 0.00 0.00 29.99 30.33 1smj n HIS 285 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1smj n VAL 286 N -4.40 -0.43 0.00 1.59 0.31 -1.05 -1.12 118.33 113.24 1smj n VAL 286 Ca -0.33 1.72 0.00 0.00 -0.01 0.00 0.00 64.34 65.73 1smj n VAL 286 Cb 0.66 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 1smj n VAL 286 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1smj n LEU 287 N -5.00 0.00 -0.10 7.52 0.00 -0.93 -0.13 117.00 118.36 1smj n LEU 287 Ca 0.05 0.65 -0.00 0.00 0.00 0.00 0.00 56.01 56.70 1smj n LEU 287 Cb 0.25 -0.15 0.01 0.00 0.00 0.00 0.00 43.42 43.53 1smj n LEU 287 CO -0.11 -0.15 0.14 1.67 0.00 0.00 0.00 177.39 178.95 1smj n GLN 288 N -1.42 -0.06 0.50 1.96 7.27 -0.85 0.14 117.38 124.93 1smj n GLN 288 Ca 0.00 0.38 -0.21 0.00 0.07 0.00 0.00 57.00 57.24 1smj n GLN 288 Cb 0.00 -0.56 -0.10 0.00 2.41 0.00 0.00 30.24 31.99 1smj n GLN 288 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1smj h LYS 289 N 0.00 -1.26 -0.71 3.69 3.64 -0.55 0.13 116.57 121.51 1smj h LYS 289 Ca 0.08 0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1smj h LYS 289 Cb 0.14 0.29 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1smj h LYS 289 CO -0.24 -0.84 0.46 0.00 -2.27 0.00 0.00 179.45 176.55 1smj h ALA 290 N -1.28 1.46 -0.94 5.00 0.00 0.18 0.19 119.26 123.87 1smj h ALA 290 Ca -0.13 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1smj h ALA 290 Cb 1.02 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1smj h ALA 290 CO 0.19 0.49 0.62 0.00 0.00 0.00 0.00 179.25 180.55 1smj h ALA 291 N 1.53 1.22 0.19 0.00 0.00 0.16 -2.45 119.26 119.90 1smj h ALA 291 Ca 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1smj h ALA 291 Cb -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.34 1smj h ALA 291 CO -0.05 0.56 -0.09 0.93 0.00 0.00 0.00 179.25 180.59 1smj h GLU 292 N 1.25 -0.25 -0.24 0.00 5.08 -0.13 -2.71 114.58 117.58 1smj h GLU 292 Ca 0.36 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.80 1smj h GLU 292 Cb -0.09 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1smj h GLU 292 CO -0.09 0.16 0.58 1.49 -1.00 0.00 0.00 179.01 180.15 1smj h GLU 293 N -0.83 0.00 0.04 2.33 4.22 -0.36 0.15 114.58 120.13 1smj h GLU 293 Ca -0.03 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 59.05 1smj h GLU 293 Cb 0.52 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1smj h GLU 293 CO 0.04 0.00 -2.06 0.00 -2.18 0.00 0.00 179.01 174.82 1smj n ALA 294 N -2.00 1.06 -0.04 2.92 0.00 -0.95 -3.31 120.51 118.19 1smj n ALA 294 Ca 0.04 -0.79 -0.01 0.00 0.00 0.00 0.00 53.44 52.68 1smj n ALA 294 Cb 0.69 -0.37 0.25 0.00 0.00 0.00 0.00 19.45 20.02 1smj n ALA 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1smj h ALA 295 N -0.26 1.29 -0.85 0.00 0.00 -0.42 -1.02 119.26 118.01 1smj h ALA 295 Ca -0.50 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1smj h ALA 295 Cb 1.77 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1smj h ALA 295 CO -0.11 0.48 0.00 -2.13 0.00 0.00 0.00 179.25 177.49 1smj n ARG 296 N -4.26 0.00 -0.26 0.00 0.63 -0.60 -3.97 116.66 108.20 1smj n ARG 296 Ca 0.02 0.36 0.14 0.00 -0.92 0.00 0.00 57.85 57.45 1smj n ARG 296 Cb 0.26 -1.12 0.27 0.00 0.45 0.00 0.00 32.46 32.32 1smj n ARG 296 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1smj n VAL 297 N -1.57 -0.32 -3.26 5.15 0.31 -1.14 -4.07 118.33 113.43 1smj n VAL 297 Ca 0.00 1.65 -0.38 0.00 -0.01 0.00 0.00 64.34 65.60 1smj n VAL 297 Cb 0.00 -2.47 -0.03 0.00 -0.91 0.00 0.00 33.84 30.43 1smj n VAL 297 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1smj n LEU 298 N -4.99 5.31 0.07 7.52 4.77 -0.40 -4.81 117.00 124.47 1smj n LEU 298 Ca 0.20 -5.23 0.13 0.00 -0.03 0.00 0.00 56.01 51.08 1smj n LEU 298 Cb 0.68 -1.13 0.47 0.00 -2.33 0.00 0.00 43.42 41.11 1smj n LEU 298 CO -0.04 1.71 0.90 1.33 -1.33 0.00 0.00 177.39 179.96 1smj n VAL 299 N 1.54 0.46 -3.42 4.08 0.24 -1.26 -4.71 118.33 115.27 1smj n VAL 299 Ca 0.26 -0.13 -0.38 0.00 -2.04 0.00 0.00 64.34 62.05 1smj n VAL 299 Cb 0.36 -0.63 -0.06 0.00 -1.47 0.00 0.00 33.84 32.04 1smj n VAL 299 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1smj s ASP 300 N -3.98 6.83 0.31 -1.34 1.01 -1.26 -4.95 116.67 113.28 1smj s ASP 300 Ca 0.11 0.99 0.03 0.00 0.71 0.00 0.00 52.55 54.38 1smj s ASP 300 Cb 0.14 -2.28 0.77 0.00 1.01 0.00 0.00 42.92 42.56 1smj s ASP 300 CO 0.54 0.24 1.59 -0.65 0.21 0.00 0.00 175.17 177.11 1smj h PRO 301 N 5.13 0.05 -5.52 8.23 0.11 -1.88 -3.26 132.00 134.86 1smj h PRO 301 Ca -0.49 -0.00 -0.65 0.00 0.11 0.00 0.00 66.00 64.97 1smj h PRO 301 Cb 1.21 -0.01 -0.20 0.00 0.11 0.00 0.00 31.00 32.11 1smj h PRO 301 CO 0.65 0.03 -0.66 0.08 -0.21 0.00 0.00 178.00 177.90 1smj s VAL 302 N -5.96 3.98 1.06 3.15 1.01 -1.26 -4.74 120.40 117.64 1smj s VAL 302 Ca -0.12 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 1smj s VAL 302 Cb 0.28 -2.72 0.09 0.00 0.00 0.00 0.00 36.38 34.04 1smj s VAL 302 CO 0.78 0.52 0.24 -2.65 0.00 0.00 0.00 175.10 173.99 1smj n PRO 303 N 3.13 -1.14 -4.42 2.72 -0.02 -1.23 -4.96 135.00 129.08 1smj n PRO 303 Ca -0.18 -0.30 -0.26 0.00 -2.02 0.00 0.00 63.50 60.74 1smj n PRO 303 Cb 0.53 -1.80 -0.12 0.00 -0.02 0.00 0.00 33.50 32.09 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 -1.96 3.38 0.27 2.55 1.04 -1.26 -5.05 113.70 112.68 1smj s SER 304 Ca 0.57 -0.88 -0.06 0.00 0.48 0.00 0.00 55.95 56.06 1smj s SER 304 Cb -0.16 -0.25 0.50 0.00 0.10 0.00 0.00 66.02 66.20 1smj s SER 304 CO 0.66 0.10 1.58 0.22 0.98 0.00 0.00 173.24 176.78 1smj h TYR 305 N 3.12 -0.35 0.00 5.02 5.03 -1.97 -2.29 116.97 125.54 1smj h TYR 305 Ca -0.45 0.08 -0.08 0.00 2.58 0.00 0.00 58.73 60.85 1smj h TYR 305 Cb 1.21 0.30 -0.01 0.00 1.55 0.00 0.00 36.73 39.78 1smj h TYR 305 CO 0.70 -0.39 -0.45 0.87 -1.32 0.00 0.00 178.16 177.56 1smj h LYS 306 N 0.01 0.00 -0.54 1.82 6.56 -1.99 -2.88 116.57 119.55 1smj h LYS 306 Ca 0.48 0.00 0.09 0.00 -1.06 0.00 0.00 60.65 60.16 1smj h LYS 306 Cb 0.81 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 32.38 1smj h LYS 306 CO -0.92 0.91 -0.18 1.04 -2.06 0.00 0.00 179.45 178.24 1smj n GLN 307 N -4.56 -0.10 0.30 3.15 6.02 -1.18 0.27 117.38 121.28 1smj n GLN 307 Ca -0.17 0.84 0.18 0.00 -0.01 0.00 0.00 57.00 57.84 1smj n GLN 307 Cb 0.52 -1.24 0.94 0.00 1.02 0.00 0.00 30.24 31.48 1smj n GLN 307 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1smj h VAL 308 N 0.00 0.19 0.00 5.09 2.07 -1.21 0.18 116.25 122.57 1smj h VAL 308 Ca 0.21 -0.26 -0.19 0.00 0.82 0.00 0.00 66.70 67.28 1smj h VAL 308 Cb 0.35 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 1smj h VAL 308 CO -0.54 0.03 -0.92 0.11 0.02 0.00 0.00 177.57 176.27 1smj h LYS 309 N 0.00 0.00 -0.97 1.57 1.79 0.40 -3.20 116.57 116.16 1smj h LYS 309 Ca -0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 1smj h LYS 309 Cb 0.21 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.85 1smj h LYS 309 CO 0.00 0.92 0.03 1.04 -1.08 0.00 0.00 179.45 180.36 1smj n GLN 310 N -3.42 1.36 -2.25 3.15 6.02 0.92 -4.23 117.38 118.91 1smj n GLN 310 Ca -0.00 -0.37 -0.39 0.00 -0.01 0.00 0.00 57.00 56.23 1smj n GLN 310 Cb 0.88 -1.43 0.03 0.00 1.02 0.00 0.00 30.24 30.73 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 0.16 7.21 -0.37 1.08 4.77 -1.18 -4.85 117.00 123.82 1smj n LEU 311 Ca 0.05 -5.10 -0.02 0.00 -0.03 0.00 0.00 56.01 50.91 1smj n LEU 311 Cb 0.46 -1.06 0.11 0.00 -2.33 0.00 0.00 43.42 40.60 1smj n LEU 311 CO 0.05 1.91 1.28 0.11 -1.33 0.00 0.00 177.39 179.42 1smj h LYS 312 N 3.43 1.27 0.06 3.23 1.57 -1.89 -1.59 116.57 122.65 1smj h LYS 312 Ca 0.53 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1smj h LYS 312 Cb 0.20 -0.29 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 1smj h LYS 312 CO 1.29 0.84 -0.03 -0.92 -0.57 0.00 0.00 179.45 180.06 1smj h TYR 313 N 1.31 -0.09 -1.24 -1.35 3.20 -1.95 -1.84 116.97 115.01 1smj h TYR 313 Ca 0.36 -0.00 0.36 0.00 3.14 0.00 0.00 58.73 62.59 1smj h TYR 313 Cb -0.13 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.12 1smj h TYR 313 CO -0.00 -0.05 0.99 -0.39 -1.64 0.00 0.00 178.16 177.06 1smj h VAL 314 N -0.09 0.25 -0.07 1.81 -1.51 -1.86 4.65 116.25 119.43 1smj h VAL 314 Ca -0.01 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.47 1smj h VAL 314 Cb 0.07 0.29 -0.01 0.00 -2.13 0.00 0.00 31.29 29.51 1smj h VAL 314 CO 0.01 0.00 0.03 1.23 -1.23 0.00 0.00 177.57 177.60 1smj h GLY 315 N 0.00 0.08 1.27 5.19 0.00 -1.03 -1.48 103.07 107.10 1smj h GLY 315 Ca 0.59 -0.02 -0.16 0.00 0.00 0.00 0.00 47.33 47.74 1smj h GLY 315 CO -0.01 0.01 -0.47 -0.33 0.00 0.00 0.00 176.54 175.75 1smj h MET 316 N 0.06 0.79 -0.28 4.80 2.86 1.00 -2.90 114.93 121.26 1smj h MET 316 Ca 0.03 -0.45 0.03 0.00 -2.06 0.00 0.00 59.70 57.24 1smj h MET 316 Cb 0.01 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.67 1smj h MET 316 CO -0.03 1.08 -0.17 0.28 1.06 0.00 0.00 176.91 179.14 1smj n VAL 317 N -4.02 -0.19 -0.30 -2.22 0.31 -0.39 -0.21 118.33 111.31 1smj n VAL 317 Ca -0.03 1.61 0.15 0.00 -0.01 0.00 0.00 64.34 66.06 1smj n VAL 317 Cb 0.58 -2.07 0.29 0.00 -0.91 0.00 0.00 33.84 31.72 1smj n VAL 317 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1smj n LEU 318 N -3.60 -0.05 0.18 7.52 4.32 -0.56 0.69 117.00 125.49 1smj n LEU 318 Ca 0.01 1.50 0.12 0.00 -0.02 0.00 0.00 56.01 57.61 1smj n LEU 318 Cb 0.07 -0.57 0.16 0.00 -1.62 0.00 0.00 43.42 41.47 1smj n LEU 318 CO -0.05 -1.54 0.64 0.78 -1.22 0.00 0.00 177.39 176.01 1smj h ASN 319 N 0.00 0.00 0.00 -1.43 2.35 -0.49 -1.77 115.58 114.25 1smj h ASN 319 Ca 0.56 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 56.30 1smj h ASN 319 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1smj h ASN 319 CO -0.81 0.00 -0.00 -0.33 -1.65 0.00 0.00 177.43 174.64 1smj h GLU 320 N 0.00 -0.00 -0.86 0.81 4.39 0.17 0.16 114.58 119.25 1smj h GLU 320 Ca 0.00 0.00 0.17 0.00 0.34 0.00 0.00 59.36 59.87 1smj h GLU 320 Cb 0.96 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 29.45 1smj h GLU 320 CO 0.00 0.90 -0.21 0.00 -1.16 0.00 0.00 179.01 178.54 1smj n ALA 321 N -2.60 0.20 0.72 3.43 0.00 -0.57 0.12 120.51 121.81 1smj n ALA 321 Ca -0.09 0.94 0.12 0.00 0.00 0.00 0.00 53.44 54.41 1smj n ALA 321 Cb 0.44 -0.56 0.48 0.00 0.00 0.00 0.00 19.45 19.80 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 -5.39 0.28 0.04 0.00 7.94 -0.67 0.18 117.00 119.38 1smj n LEU 322 Ca 0.14 0.54 -0.22 0.00 -1.11 0.00 0.00 56.01 55.35 1smj n LEU 322 Cb 0.43 -0.47 -0.14 0.00 0.53 0.00 0.00 43.42 43.77 1smj n LEU 322 CO -0.10 -0.18 -0.65 -0.09 -1.11 0.00 0.00 177.39 175.26 1smj h ARG 323 N 0.00 0.33 0.01 1.96 2.43 0.39 -3.30 114.38 116.20 1smj h ARG 323 Ca 0.00 -0.56 -0.07 0.00 -0.81 0.00 0.00 59.98 58.54 1smj h ARG 323 Cb 0.48 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1smj h ARG 323 CO 0.00 1.27 -0.37 1.25 -1.51 0.00 0.00 179.97 180.61 1smj h LEU 324 N 0.05 0.04 -7.14 3.80 7.12 -0.78 -3.39 115.31 115.02 1smj h LEU 324 Ca -0.38 -0.89 -0.62 0.00 0.13 0.00 0.00 57.88 56.12 1smj h LEU 324 Cb 2.04 -0.01 -0.42 0.00 -0.53 0.00 0.00 40.66 41.74 1smj h LEU 324 CO 0.13 1.15 -0.60 0.26 -0.13 0.00 0.00 178.44 179.25 1smj s TRP 325 N -2.27 3.41 -0.30 1.25 0.52 0.13 -4.77 118.94 116.90 1smj s TRP 325 Ca -0.21 -3.27 -0.28 0.00 0.02 0.00 0.00 56.10 52.36 1smj s TRP 325 Cb -0.01 -2.69 -0.03 0.00 -1.15 0.00 0.00 33.47 29.60 1smj s TRP 325 CO 0.68 -0.60 1.94 -1.25 0.02 0.00 0.00 176.95 177.74 1smj s PRO 326 N -1.14 3.23 0.17 4.98 0.04 -1.24 -4.41 135.00 136.63 1smj s PRO 326 Ca 0.23 1.60 0.18 0.00 0.04 0.00 0.00 61.00 63.05 1smj s PRO 326 Cb -0.10 -4.26 0.81 0.00 0.04 0.00 0.00 34.50 30.99 1smj s PRO 326 CO -0.13 -1.98 1.56 0.25 0.04 0.00 0.00 177.00 176.74 1smj n THR 327 N 7.53 1.04 -3.69 1.26 -2.24 -1.26 -2.41 114.28 114.51 1smj n THR 327 Ca 0.25 0.35 -0.37 0.00 -2.27 0.00 0.00 64.05 62.02 1smj n THR 327 Cb 0.46 -1.25 -0.09 0.00 -2.10 0.00 0.00 70.33 67.36 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 -3.24 3.76 -1.40 6.98 0.00 -1.26 -2.93 121.76 123.68 1smj s ALA 328 Ca 0.03 -3.42 0.14 0.00 0.00 0.00 0.00 51.96 48.72 1smj s ALA 328 Cb 0.08 -2.73 0.71 0.00 0.00 0.00 0.00 23.12 21.17 1smj s ALA 328 CO 0.28 -2.13 1.39 -0.35 0.00 0.00 0.00 175.76 174.95 1smj n PRO 329 N 3.20 0.19 -3.81 0.00 -0.04 -1.01 -4.88 135.00 128.65 1smj n PRO 329 Ca 0.11 0.16 -0.09 0.00 -0.04 0.00 0.00 63.50 63.65 1smj n PRO 329 Cb 0.38 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.31 1smj n PRO 329 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1smj s ALA 330 N -2.60 -0.96 0.00 0.55 0.00 -1.26 -2.99 121.76 114.50 1smj s ALA 330 Ca 0.13 -0.33 -0.21 0.00 0.00 0.00 0.00 51.96 51.54 1smj s ALA 330 Cb 0.09 0.90 0.04 0.00 0.00 0.00 0.00 23.12 24.16 1smj s ALA 330 CO 0.22 -0.91 0.47 -0.59 0.00 0.00 0.00 175.76 174.95 1smj s PHE 331 N -3.91 -0.37 0.10 0.00 -0.12 -1.19 -5.00 117.98 107.49 1smj s PHE 331 Ca 0.12 0.51 0.09 0.00 -0.05 0.00 0.00 56.93 57.60 1smj s PHE 331 Cb -0.03 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.58 1smj s PHE 331 CO 0.03 -0.54 -0.18 0.45 -0.05 0.00 0.00 175.22 174.93 1smj s SER 332 N -1.60 3.88 0.02 1.98 0.15 -1.26 -1.06 113.70 115.82 1smj s SER 332 Ca -0.09 -0.53 -0.03 0.00 0.70 0.00 0.00 55.95 56.00 1smj s SER 332 Cb -0.02 -0.56 -0.01 0.00 -1.71 0.00 0.00 66.02 63.71 1smj s SER 332 CO 0.03 0.19 0.03 -0.76 1.20 0.00 0.00 173.24 173.93 1smj s LEU 333 N -2.00 2.03 0.24 3.45 2.01 -0.33 0.86 118.68 124.93 1smj s LEU 333 Ca 0.17 -0.46 0.11 0.00 0.01 0.00 0.00 54.13 53.96 1smj s LEU 333 Cb -0.11 0.32 -0.05 0.00 0.01 0.00 0.00 46.19 46.36 1smj s LEU 333 CO 0.09 -0.36 -0.20 -0.72 1.01 0.00 0.00 176.35 176.17 1smj s TYR 334 N -1.75 2.15 -0.33 0.29 1.13 -0.66 0.24 117.35 118.43 1smj s TYR 334 Ca -0.13 -0.39 -0.27 0.00 -1.41 0.00 0.00 57.07 54.87 1smj s TYR 334 Cb -0.07 -0.98 -0.05 0.00 -1.10 0.00 0.00 41.96 39.76 1smj s TYR 334 CO -0.01 0.58 2.22 0.00 -2.51 0.00 0.00 175.55 175.83 1smj s ALA 335 N -2.38 2.39 0.24 9.51 0.00 -0.03 -2.89 121.76 128.60 1smj s ALA 335 Ca 0.26 0.45 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 1smj s ALA 335 Cb -0.05 -4.16 0.52 0.00 0.00 0.00 0.00 23.12 19.43 1smj s ALA 335 CO 0.12 -3.32 1.24 1.63 0.00 0.00 0.00 175.76 175.42 1smj n LYS 336 N 8.82 -0.07 -3.68 0.00 4.76 -0.74 -1.56 118.16 125.70 1smj n LYS 336 Ca 0.31 1.20 -0.14 0.00 -2.87 0.00 0.00 58.31 56.81 1smj n LYS 336 Cb 0.48 -1.87 -0.08 0.00 -1.84 0.00 0.00 35.03 31.72 1smj n LYS 336 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1smj s GLU 337 N -5.82 0.68 0.65 1.97 0.41 -1.26 -4.68 118.70 110.65 1smj s GLU 337 Ca -0.11 0.44 -0.13 0.00 -0.41 0.00 0.00 54.97 54.77 1smj s GLU 337 Cb 0.23 0.32 -0.11 0.00 -1.78 0.00 0.00 34.13 32.79 1smj s GLU 337 CO 0.62 -0.14 -0.65 -0.25 -0.49 0.00 0.00 175.26 174.35 1smj n ASP 338 N 2.18 -3.45 0.00 -0.19 9.92 -1.26 -4.23 116.55 119.51 1smj n ASP 338 Ca -0.16 0.09 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1smj n ASP 338 Cb 0.56 -0.45 0.00 0.00 -0.64 0.00 0.00 41.12 40.59 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 -1.79 0.00 -3.38 -3.53 5.66 -0.42 -4.85 114.28 105.96 1smj n THR 339 Ca -0.01 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.96 1smj n THR 339 Cb 0.40 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.13 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 -2.85 -0.83 0.14 1.08 1.01 -1.26 -3.09 120.40 114.60 1smj s VAL 340 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 1smj s VAL 340 Cb 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 36.38 35.42 1smj s VAL 340 CO 0.00 -0.02 1.04 -0.22 0.00 0.00 0.00 175.10 175.90 1smj s LEU 341 N 2.74 4.49 -0.90 3.92 2.96 0.29 -3.29 118.68 128.89 1smj s LEU 341 Ca 0.10 1.96 0.00 0.00 -0.22 0.00 0.00 54.13 55.97 1smj s LEU 341 Cb -0.14 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.95 1smj s LEU 341 CO -0.18 -0.16 0.00 0.61 -1.32 0.00 0.00 176.35 175.30 1smj n GLY 342 N 2.18 0.80 2.36 7.98 0.00 -1.26 0.21 105.19 117.46 1smj n GLY 342 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 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 0.30 0.00 -0.02 0.00 -1.21 -4.67 105.19 99.44 1smj n GLY 343 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.59 0.34 -3.93 1.61 4.71 -0.72 -4.88 120.64 115.18 1smj n GLU 344 Ca -0.18 -0.49 -0.30 0.00 -0.01 0.00 0.00 57.16 56.17 1smj n GLU 344 Cb 0.61 -0.63 -0.15 0.00 -1.01 0.00 0.00 31.44 30.26 1smj n GLU 344 CO 0.00 0.00 0.00 0.71 0.09 0.00 0.00 177.13 177.93 1smj s TYR 345 N -0.15 3.11 0.01 -0.32 2.02 0.13 -0.59 117.35 121.57 1smj s TYR 345 Ca 0.00 -2.79 -0.33 0.00 -0.37 0.00 0.00 57.07 53.58 1smj s TYR 345 Cb 0.00 -2.60 -0.12 0.00 -0.40 0.00 0.00 41.96 38.84 1smj s TYR 345 CO 0.00 -0.87 1.83 -2.30 -1.57 0.00 0.00 175.55 172.64 1smj n PRO 346 N 3.99 2.36 -4.51 -1.71 -0.02 -1.26 0.11 135.00 133.96 1smj n PRO 346 Ca 0.04 0.86 -0.26 0.00 -2.02 0.00 0.00 63.50 62.12 1smj n PRO 346 Cb 0.39 -2.71 -0.13 0.00 -0.02 0.00 0.00 33.50 31.02 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 3.28 2.24 0.37 2.45 1.43 -1.18 -4.88 118.68 122.39 1smj s LEU 347 Ca 0.88 -0.62 0.07 0.00 -1.03 0.00 0.00 54.13 53.43 1smj s LEU 347 Cb -0.62 -1.01 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 1smj s LEU 347 CO 0.45 0.14 0.41 -1.61 0.23 0.00 0.00 176.35 175.97 1smj s GLU 348 N -1.58 2.81 1.02 1.70 2.02 -1.26 -1.30 118.70 122.12 1smj s GLU 348 Ca 0.08 -1.26 -0.16 0.00 0.02 0.00 0.00 54.97 53.66 1smj s GLU 348 Cb -0.10 -2.60 0.04 0.00 0.10 0.00 0.00 34.13 31.57 1smj s GLU 348 CO 0.03 -0.04 0.06 1.17 0.02 0.00 0.00 175.26 176.50 1smj n LYS 349 N -1.57 -0.77 0.00 1.61 4.81 -1.26 -2.58 118.16 118.40 1smj n LYS 349 Ca 0.02 -0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 1smj n LYS 349 Cb 0.60 -1.69 0.00 0.00 0.02 0.00 0.00 35.03 33.96 1smj n LYS 349 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1smj n GLY 350 N 1.96 1.77 3.51 3.14 0.00 -0.60 -4.85 105.19 110.11 1smj n GLY 350 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 1smj n GLY 350 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1smj n ASP 351 N 0.63 -0.74 -4.37 1.61 9.92 -1.06 -4.60 116.55 117.93 1smj n ASP 351 Ca 0.00 0.61 -0.32 0.00 -0.53 0.00 0.00 54.79 54.55 1smj n ASP 351 Cb 0.00 -1.27 -0.15 0.00 -0.64 0.00 0.00 41.12 39.07 1smj n ASP 351 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1smj s GLU 352 N -2.92 2.70 -0.03 -1.24 2.02 -1.26 -0.85 118.70 117.12 1smj s GLU 352 Ca 0.68 -0.78 -0.01 0.00 0.02 0.00 0.00 54.97 54.88 1smj s GLU 352 Cb -0.35 -2.35 0.03 0.00 0.10 0.00 0.00 34.13 31.56 1smj s GLU 352 CO 0.56 0.44 0.04 -0.51 0.02 0.00 0.00 175.26 175.81 1smj s LEU 353 N -0.28 0.62 -0.07 1.80 1.02 0.14 -2.13 118.68 119.77 1smj s LEU 353 Ca 0.01 0.04 0.04 0.00 0.02 0.00 0.00 54.13 54.25 1smj s LEU 353 Cb -0.13 -0.14 0.00 0.00 0.02 0.00 0.00 46.19 45.94 1smj s LEU 353 CO 0.03 -0.19 -0.20 -0.32 0.02 0.00 0.00 176.35 175.69 1smj s MET 354 N 1.63 2.39 -0.41 1.70 1.75 0.23 -1.18 119.30 125.41 1smj s MET 354 Ca -0.02 -0.73 -0.11 0.00 -1.25 0.00 0.00 55.69 53.59 1smj s MET 354 Cb -0.13 -1.92 0.06 0.00 2.84 0.00 0.00 34.83 35.68 1smj s MET 354 CO -0.03 0.20 0.26 0.08 -0.65 0.00 0.00 175.02 174.88 1smj s VAL 355 N 0.24 4.50 -1.40 10.11 1.01 -0.22 0.36 120.40 135.00 1smj s VAL 355 Ca -0.12 -1.14 -0.14 0.00 0.00 0.00 0.00 61.98 60.58 1smj s VAL 355 Cb -0.15 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.64 1smj s VAL 355 CO 0.05 -0.41 2.07 0.18 0.00 0.00 0.00 175.10 177.00 1smj n LEU 356 N 4.99 6.40 -0.40 3.92 4.77 -0.72 -3.16 117.00 132.79 1smj n LEU 356 Ca -0.11 -4.15 -0.09 0.00 -0.03 0.00 0.00 56.01 51.63 1smj n LEU 356 Cb 0.44 -1.66 -0.08 0.00 -2.33 0.00 0.00 43.42 39.79 1smj n LEU 356 CO 0.39 0.92 0.48 -0.38 -1.33 0.00 0.00 177.39 177.47 1smj n ILE 357 N 5.21 -0.64 -0.49 -0.08 5.41 -1.16 0.70 119.36 128.30 1smj n ILE 357 Ca 0.50 2.33 0.40 0.00 1.00 0.00 0.00 62.75 66.98 1smj n ILE 357 Cb 0.40 -2.90 0.71 0.00 -0.71 0.00 0.00 39.64 37.15 1smj n ILE 357 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1smj h PRO 358 N 0.00 0.07 0.08 0.38 0.10 -1.84 -0.91 132.00 129.88 1smj h PRO 358 Ca 0.18 -0.00 -0.26 0.00 0.10 0.00 0.00 66.00 66.02 1smj h PRO 358 Cb 0.42 -0.01 0.01 0.00 0.10 0.00 0.00 31.00 31.51 1smj h PRO 358 CO -0.91 0.04 -1.12 1.96 0.10 0.00 0.00 178.00 178.07 1smj h GLN 359 N 0.07 0.35 -0.23 1.05 1.08 -0.03 -3.26 115.11 114.14 1smj h GLN 359 Ca 0.79 -0.49 0.01 0.00 -1.45 0.00 0.00 58.65 57.51 1smj h GLN 359 Cb 2.79 0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 30.37 1smj h GLN 359 CO -0.21 1.18 0.14 1.25 -0.95 0.00 0.00 178.83 180.25 1smj h LEU 360 N 0.15 0.22 0.00 1.46 5.85 -1.08 -0.40 115.31 121.51 1smj h LEU 360 Ca -0.12 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1smj h LEU 360 Cb 1.81 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.79 1smj h LEU 360 CO 0.19 0.16 0.00 1.41 -0.34 0.00 0.00 178.44 179.86 1smj n HIS 361 N -4.96 0.00 -0.60 1.25 8.25 -0.40 -0.50 115.22 118.27 1smj n HIS 361 Ca -0.02 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.49 1smj n HIS 361 Cb 0.04 -0.40 0.11 0.00 1.12 0.00 0.00 29.99 30.85 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 -1.40 2.24 -1.69 -0.41 1.74 -0.22 -4.88 116.66 112.04 1smj n ARG 362 Ca 0.01 -2.18 -0.39 0.00 -0.77 0.00 0.00 57.85 54.52 1smj n ARG 362 Cb 0.03 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 1smj n ARG 362 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1smj s ASP 363 N -1.93 4.96 0.21 0.55 -1.08 0.34 -4.90 116.67 114.83 1smj s ASP 363 Ca 0.21 1.19 -0.10 0.00 -0.52 0.00 0.00 52.55 53.34 1smj s ASP 363 Cb 0.17 -2.51 0.17 0.00 -1.46 0.00 0.00 42.92 39.29 1smj s ASP 363 CO 0.04 -2.46 1.89 0.07 0.52 0.00 0.00 175.17 175.23 1smj h LYS 364 N 17.09 1.03 0.00 4.34 -0.00 -1.90 -1.19 116.57 135.95 1smj h LYS 364 Ca -0.30 -0.06 0.00 0.00 -0.00 0.00 0.00 60.65 60.29 1smj h LYS 364 Cb 1.23 -0.23 0.00 0.00 -0.00 0.00 0.00 32.23 33.23 1smj h LYS 364 CO 1.11 0.69 0.05 0.25 -0.00 0.00 0.00 179.45 181.54 1smj n THR 365 N -4.54 0.54 0.00 0.07 -2.24 -1.26 -0.95 114.28 105.90 1smj n THR 365 Ca 0.08 0.18 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 1smj n THR 365 Cb 0.02 -1.18 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 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 -1.05 0.00 0.48 2.28 2.08 -0.59 -4.85 119.36 117.71 1smj n ILE 366 Ca 0.00 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.37 1smj n ILE 366 Cb 0.05 -0.67 0.03 0.00 -0.75 0.00 0.00 39.64 38.30 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 -2.16 0.00 0.00 1.39 7.02 -0.56 -5.01 117.44 118.12 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 0.46 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.35 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 0.75 0.71 0.11 6.99 0.00 -0.12 -4.65 105.19 108.98 1smj n GLY 368 Ca 0.06 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.56 0.04 -1.64 1.61 8.00 -1.26 -3.73 116.55 119.00 1smj n ASP 369 Ca 0.00 -0.35 -0.14 0.00 0.71 0.00 0.00 54.79 55.00 1smj n ASP 369 Cb 0.00 -0.02 0.07 0.00 -0.02 0.00 0.00 41.12 41.16 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 -0.30 3.83 -0.34 -2.24 5.75 -1.26 -4.83 116.55 117.16 1smj n ASP 370 Ca 0.00 -3.70 0.07 0.00 -0.01 0.00 0.00 54.79 51.15 1smj n ASP 370 Cb 0.01 -0.40 0.23 0.00 -1.03 0.00 0.00 41.12 39.93 1smj n ASP 370 CO 0.00 0.00 0.00 -0.37 -0.11 0.00 0.00 177.20 176.72 1smj h VAL 371 N 2.05 0.86 0.00 2.12 -1.51 -1.88 0.36 116.25 118.25 1smj h VAL 371 Ca 0.24 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1smj h VAL 371 Cb 1.38 -0.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1smj h VAL 371 CO 0.51 0.16 0.00 1.21 -1.23 0.00 0.00 177.57 178.22 1smj n GLU 372 N -4.70 0.00 -4.63 5.19 4.07 -1.26 -4.77 120.64 114.53 1smj n GLU 372 Ca 0.18 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.95 1smj n GLU 372 Cb 0.38 -1.00 -0.13 0.00 -0.06 0.00 0.00 31.44 30.63 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 -1.99 3.36 -1.12 5.31 0.41 0.13 -5.02 118.70 119.78 1smj s GLU 373 Ca 0.00 -0.61 -0.22 0.00 -0.41 0.00 0.00 54.97 53.73 1smj s GLU 373 Cb 0.00 -2.71 -0.00 0.00 -1.78 0.00 0.00 34.13 29.63 1smj s GLU 373 CO 0.00 0.30 1.77 0.12 -0.49 0.00 0.00 175.26 176.97 1smj s PHE 374 N 0.15 2.28 -0.44 1.61 5.36 -1.26 -4.85 117.98 120.84 1smj s PHE 374 Ca -0.05 -0.38 -0.02 0.00 -0.96 0.00 0.00 56.93 55.52 1smj s PHE 374 Cb -0.14 -4.38 0.12 0.00 -0.34 0.00 0.00 43.02 38.27 1smj s PHE 374 CO 0.04 -1.65 0.23 0.50 -1.46 0.00 0.00 175.22 172.88 1smj s ARG 375 N 5.62 2.05 0.08 10.12 3.52 -1.26 -5.05 118.95 134.03 1smj s ARG 375 Ca 0.60 -1.96 -0.34 0.00 -0.13 0.00 0.00 55.73 53.89 1smj s ARG 375 Cb -0.01 -3.57 -0.16 0.00 -1.56 0.00 0.00 34.95 29.65 1smj s ARG 375 CO 0.04 -1.08 1.59 -1.35 -0.81 0.00 0.00 175.30 173.68 1smj h PRO 376 N 7.81 -0.93 0.00 5.12 0.11 -1.88 -2.88 132.00 139.34 1smj h PRO 376 Ca -0.10 0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1smj h PRO 376 Cb 1.03 0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1smj h PRO 376 CO 0.69 -0.62 0.00 0.39 -0.21 0.00 0.00 178.00 178.25 1smj n GLU 377 N -5.54 0.00 0.00 1.05 4.71 -1.26 0.67 120.64 120.27 1smj n GLU 377 Ca -0.12 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.14 1smj n GLU 377 Cb 0.43 0.00 0.58 0.00 -1.01 0.00 0.00 31.44 31.44 1smj n GLU 377 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1smj n ARG 378 N -0.80 0.38 -1.73 3.49 1.74 -1.09 -1.17 116.66 117.49 1smj n ARG 378 Ca 0.00 0.07 -0.29 0.00 -0.77 0.00 0.00 57.85 56.85 1smj n ARG 378 Cb 0.00 -1.50 0.05 0.00 -1.02 0.00 0.00 32.46 29.99 1smj n ARG 378 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1smj n PHE 379 N -1.24 2.98 -0.04 -1.55 3.01 0.21 -4.63 117.46 116.20 1smj n PHE 379 Ca 0.12 -2.60 -0.21 0.00 1.01 0.00 0.00 57.45 55.77 1smj n PHE 379 Cb 0.16 -0.84 -0.13 0.00 -0.01 0.00 0.00 39.48 38.66 1smj n PHE 379 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1smj h GLU 380 N 2.12 0.13 -3.06 -1.08 4.57 -1.34 -3.43 114.58 112.49 1smj h GLU 380 Ca 0.48 -0.23 -0.62 0.00 -1.18 0.00 0.00 59.36 57.81 1smj h GLU 380 Cb 1.19 0.08 -0.41 0.00 -0.16 0.00 0.00 28.75 29.45 1smj h GLU 380 CO 1.14 1.11 -0.64 1.21 -1.18 0.00 0.00 179.01 180.65 1smj s ASN 381 N -6.90 4.31 0.41 1.04 2.47 -1.26 -4.99 114.94 110.01 1smj s ASN 381 Ca -0.24 -3.53 0.27 0.00 0.42 0.00 0.00 52.86 49.78 1smj s ASN 381 Cb 0.05 -1.47 1.41 0.00 -1.45 0.00 0.00 41.25 39.78 1smj s ASN 381 CO 0.69 -0.13 1.59 -0.65 -3.72 0.00 0.00 177.10 174.88 1smj h PRO 382 N 5.73 0.04 -0.05 0.43 0.11 -1.90 0.64 132.00 136.99 1smj h PRO 382 Ca 0.10 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.23 1smj h PRO 382 Cb 0.81 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1smj h PRO 382 CO 0.66 0.03 0.09 1.03 -0.21 0.00 0.00 178.00 179.60 1smj h SER 383 N 0.04 0.00 -0.22 -2.05 0.87 -1.99 -1.25 113.55 108.96 1smj h SER 383 Ca 0.85 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.40 1smj h SER 383 Cb 2.51 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 64.46 1smj h SER 383 CO -0.56 0.00 0.10 0.00 -0.53 0.00 0.00 176.83 175.83 1smj h ALA 384 N 1.87 0.28 -2.12 6.23 0.00 -0.10 -3.43 119.26 121.99 1smj h ALA 384 Ca 0.03 -0.10 -0.56 0.00 0.00 0.00 0.00 54.91 54.28 1smj h ALA 384 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1smj h ALA 384 CO -0.00 -0.14 1.19 0.42 0.00 0.00 0.00 179.25 180.72 1smj s ILE 385 N -5.63 3.47 1.09 0.00 1.01 -0.47 -4.97 121.20 115.69 1smj s ILE 385 Ca -0.13 0.54 -0.18 0.00 0.00 0.00 0.00 60.65 60.87 1smj s ILE 385 Cb 0.08 -3.45 0.07 0.00 0.01 0.00 0.00 42.46 39.17 1smj s ILE 385 CO 0.71 -0.16 -0.05 -2.65 0.00 0.00 0.00 174.94 172.78 1smj n PRO 386 N 7.71 -1.32 -3.71 2.79 -0.02 -1.26 -4.92 135.00 134.27 1smj n PRO 386 Ca 0.20 -0.37 -0.34 0.00 -2.02 0.00 0.00 63.50 60.98 1smj n PRO 386 Cb 0.44 -1.67 -0.05 0.00 -0.02 0.00 0.00 33.50 32.20 1smj n PRO 386 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1smj s GLN 387 N -3.36 3.62 0.00 -0.52 -0.44 -1.26 -3.75 119.66 113.95 1smj s GLN 387 Ca 0.55 -0.03 0.00 0.00 -2.50 0.00 0.00 55.36 53.37 1smj s GLN 387 Cb -0.12 -3.02 0.00 0.00 -1.64 0.00 0.00 33.01 28.24 1smj s GLN 387 CO 0.67 0.59 0.00 0.72 0.50 0.00 0.00 175.29 177.77 1smj n HIS 388 N 0.85 0.00 -0.13 1.67 8.25 -1.26 -4.88 115.22 119.71 1smj n HIS 388 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1smj n HIS 388 Cb 0.52 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.83 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 -0.79 1.00 -3.41 -1.41 0.00 -1.25 -4.49 120.51 110.16 1smj n ALA 389 Ca 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 53.44 53.11 1smj n ALA 389 Cb 0.37 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.72 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 -0.35 -0.78 -1.95 0.00 7.35 -1.26 -4.62 117.46 115.85 1smj n PHE 390 Ca 0.00 -3.34 -0.38 0.00 -0.76 0.00 0.00 57.45 52.97 1smj n PHE 390 Cb 0.03 0.22 0.04 0.00 0.35 0.00 0.00 39.48 40.12 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 2.78 2.84 0.00 -4.13 4.76 -1.26 -4.80 118.16 118.34 1smj n LYS 391 Ca 0.29 -3.64 0.02 0.00 -2.87 0.00 0.00 58.31 52.11 1smj n LYS 391 Cb 0.48 -2.27 0.10 0.00 -1.84 0.00 0.00 35.03 31.50 1smj n LYS 391 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1smj n PRO 392 N -0.56 0.67 -2.81 1.97 -0.04 -1.26 -3.21 135.00 129.76 1smj n PRO 392 Ca 0.53 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.97 1smj n PRO 392 Cb 0.32 -1.08 0.05 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.58 1.25 -0.76 0.54 3.72 -1.26 -4.81 117.46 115.56 1smj n PHE 393 Ca 0.03 -2.25 0.10 0.00 -0.05 0.00 0.00 57.45 55.28 1smj n PHE 393 Cb 0.01 -0.25 -0.03 0.00 -0.94 0.00 0.00 39.48 38.27 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 -0.51 -1.79 3.81 1.37 0.00 -1.20 -2.70 105.19 104.16 1smj n GLY 394 Ca 0.08 -1.33 -0.36 0.00 0.00 0.00 0.00 46.02 44.41 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 -5.10 5.93 0.76 1.61 2.47 -1.26 -4.84 114.94 114.51 1smj s ASN 395 Ca 0.00 0.31 0.00 0.00 0.42 0.00 0.00 52.86 53.59 1smj s ASN 395 Cb 0.00 -1.82 0.00 0.00 -1.45 0.00 0.00 41.25 37.98 1smj s ASN 395 CO 0.00 0.37 0.00 0.61 -3.72 0.00 0.00 177.10 174.36 1smj n GLY 396 N 1.84 2.29 0.33 1.21 0.00 -1.26 -2.91 105.19 106.69 1smj n GLY 396 Ca -0.18 -0.51 -0.04 0.00 0.00 0.00 0.00 46.02 45.29 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 1.06 -2.00 1.61 3.07 -2.00 -2.90 115.11 113.94 1smj h GLN 397 Ca 0.00 -0.17 -0.05 0.00 0.09 0.00 0.00 58.65 58.52 1smj h GLN 397 Cb 0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 27.48 27.36 1smj h GLN 397 CO 0.00 0.85 -0.10 0.54 0.09 0.00 0.00 178.83 180.21 1smj n ARG 398 N -4.30 1.25 -4.54 0.06 5.12 -1.22 -4.93 116.66 108.10 1smj n ARG 398 Ca 0.07 -0.26 -0.26 0.00 -1.93 0.00 0.00 57.85 55.47 1smj n ARG 398 Cb 0.17 -1.27 -0.09 0.00 -1.16 0.00 0.00 32.46 30.10 1smj n ARG 398 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1smj s ALA 399 N 0.30 2.94 -0.43 7.54 0.00 -1.10 -4.23 121.76 126.78 1smj s ALA 399 Ca 0.18 -1.47 -0.27 0.00 0.00 0.00 0.00 51.96 50.39 1smj s ALA 399 Cb 0.08 0.56 -0.07 0.00 0.00 0.00 0.00 23.12 23.69 1smj s ALA 399 CO 0.00 -0.26 2.37 0.00 0.00 0.00 0.00 175.76 177.87 1smj h ILE 401 N 7.56 0.26 0.00 0.00 1.08 -1.94 -3.09 117.51 121.38 1smj h ILE 401 Ca -0.28 -0.05 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1smj h ILE 401 Cb 1.26 0.09 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1smj h ILE 401 CO 1.11 0.03 -0.14 0.61 -0.69 0.00 0.00 178.15 179.06 1smj n GLY 402 N -1.57 -1.64 0.04 5.37 0.00 -1.26 -4.58 105.19 101.54 1smj n GLY 402 Ca 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.23 -0.04 0.13 1.61 7.27 -1.17 0.19 117.38 123.13 1smj n GLN 403 Ca 0.05 0.44 0.11 0.00 0.07 0.00 0.00 57.00 57.67 1smj n GLN 403 Cb 0.43 -0.65 0.49 0.00 2.41 0.00 0.00 30.24 32.92 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 -2.90 0.17 0.11 3.69 -0.06 -1.26 -1.64 117.38 115.50 1smj n GLN 404 Ca 0.00 0.46 -0.20 0.00 -2.00 0.00 0.00 57.00 55.26 1smj n GLN 404 Cb 0.02 -1.87 -0.15 0.00 -4.06 0.00 0.00 30.24 24.19 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 0.70 0.37 3.69 3.04 0.17 0.23 116.94 125.14 1smj h PHE 405 Ca 0.00 -0.51 -0.01 0.00 3.98 0.00 0.00 57.97 61.42 1smj h PHE 405 Cb 0.28 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.76 1smj h PHE 405 CO 0.00 1.45 -0.27 0.00 -2.02 0.00 0.00 178.31 177.47 1smj h ALA 406 N 0.36 -1.05 -0.23 2.41 0.00 -0.43 -0.69 119.26 119.64 1smj h ALA 406 Ca -0.22 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.62 1smj h ALA 406 Cb 2.07 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 20.23 1smj h ALA 406 CO 0.22 -1.04 -0.13 -0.07 0.00 0.00 0.00 179.25 178.23 1smj h LEU 407 N -0.61 -0.44 -0.03 0.00 -0.00 -1.36 -0.25 115.31 112.63 1smj h LEU 407 Ca -0.05 0.10 0.02 0.00 -0.00 0.00 0.00 57.88 57.95 1smj h LEU 407 Cb 0.50 0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 41.37 1smj h LEU 407 CO 0.02 -0.17 -0.10 -0.74 -0.00 0.00 0.00 178.44 177.45 1smj h HIS 408 N -0.12 -0.26 -0.25 1.13 2.76 -0.40 -2.85 115.15 115.16 1smj h HIS 408 Ca 0.13 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.28 1smj h HIS 408 Cb 0.31 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 1smj h HIS 408 CO -0.30 -0.16 0.05 1.49 -1.30 0.00 0.00 177.93 177.71 1smj h GLU 409 N -0.16 0.42 0.12 5.26 4.81 -0.27 -1.80 114.58 122.96 1smj h GLU 409 Ca 0.05 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1smj h GLU 409 Cb 0.23 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1smj h GLU 409 CO -0.12 0.54 -0.24 0.00 -0.73 0.00 0.00 179.01 178.45 1smj h ALA 410 N 0.86 -0.83 -0.84 2.92 0.00 -1.04 0.34 119.26 120.68 1smj h ALA 410 Ca 0.08 -0.07 0.15 0.00 0.00 0.00 0.00 54.91 55.07 1smj h ALA 410 Cb 0.32 0.59 -0.15 0.00 0.00 0.00 0.00 17.79 18.55 1smj h ALA 410 CO 0.00 -0.87 -0.30 1.15 0.00 0.00 0.00 179.25 179.24 1smj h THR 411 N -0.39 0.10 -0.11 0.00 2.02 -1.54 1.57 112.91 114.55 1smj h THR 411 Ca -0.01 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1smj h THR 411 Cb 0.37 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 1smj h THR 411 CO -0.10 0.00 -0.17 0.25 0.37 0.00 0.00 175.52 175.87 1smj h LEU 412 N -0.04 -0.52 0.20 2.58 5.85 -0.97 0.43 115.31 122.84 1smj h LEU 412 Ca 0.35 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.15 1smj h LEU 412 Cb 0.60 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1smj h LEU 412 CO -0.87 -0.22 -0.10 1.62 -0.34 0.00 0.00 178.44 178.53 1smj h VAL 413 N -0.22 0.88 -0.31 1.05 3.04 0.48 0.22 116.25 121.39 1smj h VAL 413 Ca 0.09 -0.83 0.07 0.00 -1.01 0.00 0.00 66.70 65.02 1smj h VAL 413 Cb 0.35 1.34 -0.07 0.00 -2.01 0.00 0.00 31.29 30.90 1smj h VAL 413 CO -0.24 0.17 -0.17 0.25 -1.01 0.00 0.00 177.57 176.57 1smj h LEU 414 N -0.71 -0.58 -0.46 3.16 6.46 0.18 0.76 115.31 124.13 1smj h LEU 414 Ca -0.03 0.13 0.04 0.00 -0.12 0.00 0.00 57.88 57.90 1smj h LEU 414 Cb 0.49 0.31 -0.06 0.00 -0.73 0.00 0.00 40.66 40.66 1smj h LEU 414 CO 0.05 -0.21 -0.35 1.23 -0.62 0.00 0.00 178.44 178.54 1smj h GLY 415 N -0.13 -1.52 2.00 3.75 0.00 -0.08 -1.37 103.07 105.72 1smj h GLY 415 Ca 0.16 0.88 -0.00 0.00 0.00 0.00 0.00 47.33 48.37 1smj h GLY 415 CO -0.39 -0.38 -0.01 -0.33 0.00 0.00 0.00 176.54 175.42 1smj h MET 416 N -0.10 0.00 0.33 4.80 2.86 0.34 -0.43 114.93 122.74 1smj h MET 416 Ca 0.07 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 1smj h MET 416 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1smj h MET 416 CO -0.48 0.01 -0.16 0.52 1.06 0.00 0.00 176.91 177.87 1smj h MET 417 N 0.00 -0.43 -0.91 1.72 2.07 0.88 -2.30 114.93 115.97 1smj h MET 417 Ca -0.00 0.03 0.17 0.00 -2.07 0.00 0.00 59.70 57.83 1smj h MET 417 Cb 0.05 0.10 -0.16 0.00 -1.87 0.00 0.00 31.60 29.71 1smj h MET 417 CO 0.00 -0.28 -0.26 1.28 1.07 0.00 0.00 176.91 178.71 1smj n LEU 418 N -3.75 -0.40 -0.29 1.22 4.77 -0.58 -0.37 117.00 117.61 1smj n LEU 418 Ca -0.05 1.57 0.07 0.00 -0.03 0.00 0.00 56.01 57.57 1smj n LEU 418 Cb 0.17 -0.44 0.23 0.00 -2.33 0.00 0.00 43.42 41.05 1smj n LEU 418 CO 0.13 -1.47 1.07 0.50 -1.33 0.00 0.00 177.39 176.29 1smj h LYS 419 N 0.00 0.54 0.00 3.23 3.64 -0.85 -3.29 116.57 119.84 1smj h LYS 419 Ca 0.40 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1smj h LYS 419 Cb 0.63 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1smj h LYS 419 CO -0.92 0.36 -1.37 0.72 -2.27 0.00 0.00 179.45 175.96 1smj n HIS 420 N -4.92 0.00 -4.23 1.91 8.25 -0.63 -4.84 115.22 110.76 1smj n HIS 420 Ca 0.17 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.46 1smj n HIS 420 Cb 0.46 -0.24 -0.11 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.84 1.32 -0.27 4.41 0.08 0.51 0.40 117.98 121.59 1smj s PHE 421 Ca -0.02 -0.58 -0.10 0.00 0.12 0.00 0.00 56.93 56.35 1smj s PHE 421 Cb 0.10 -0.70 -0.05 0.00 -0.57 0.00 0.00 43.02 41.81 1smj s PHE 421 CO 0.62 0.11 0.17 -0.51 -0.10 0.00 0.00 175.22 175.52 1smj s ASP 422 N -2.46 5.90 -0.15 1.36 1.01 1.85 -4.70 116.67 119.48 1smj s ASP 422 Ca 0.08 -0.03 -0.04 0.00 0.71 0.00 0.00 52.55 53.27 1smj s ASP 422 Cb -0.04 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.76 1smj s ASP 422 CO 0.02 -0.04 -0.00 -0.36 0.21 0.00 0.00 175.17 175.01 1smj s PHE 423 N 1.66 3.11 -0.15 4.23 0.08 -1.26 -1.17 117.98 124.49 1smj s PHE 423 Ca 0.07 -0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.02 1smj s PHE 423 Cb -0.16 -1.96 0.03 0.00 -0.57 0.00 0.00 43.02 40.37 1smj s PHE 423 CO 0.09 0.11 -0.10 -2.00 -0.10 0.00 0.00 175.22 173.23 1smj s GLU 424 N 0.13 1.84 -0.82 0.44 2.12 -0.79 -4.93 118.70 116.69 1smj s GLU 424 Ca 0.01 -0.53 -0.26 0.00 0.36 0.00 0.00 54.97 54.56 1smj s GLU 424 Cb -0.13 -2.01 -0.21 0.00 0.26 0.00 0.00 34.13 32.04 1smj s GLU 424 CO 0.02 -0.33 1.92 -3.47 -0.54 0.00 0.00 175.26 172.86 1smj n ASP 425 N 4.82 1.98 -0.22 -1.70 2.03 -1.26 -1.23 116.55 120.97 1smj n ASP 425 Ca -0.14 -2.59 0.14 0.00 0.52 0.00 0.00 54.79 52.72 1smj n ASP 425 Cb 0.49 -1.36 0.69 0.00 -0.72 0.00 0.00 41.12 40.22 1smj n ASP 425 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1smj n HIS 426 N 13.75 0.02 0.08 -0.67 1.44 -1.26 -2.10 115.22 126.48 1smj n HIS 426 Ca 0.45 -0.01 0.02 0.00 -2.01 0.00 0.00 57.72 56.17 1smj n HIS 426 Cb 0.45 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.59 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 -0.43 0.42 -3.74 0.61 -2.24 -1.26 -5.03 114.28 102.61 1smj n THR 427 Ca 0.20 -0.71 -0.29 0.00 -2.27 0.00 0.00 64.05 60.98 1smj n THR 427 Cb 0.21 0.85 0.02 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.12 -5.19 -4.65 3.42 5.15 -0.89 -4.73 115.26 108.47 1smj n ASN 428 Ca 0.04 -0.96 -0.42 0.00 -0.60 0.00 0.00 54.58 52.63 1smj n ASN 428 Cb 0.20 -2.66 -0.03 0.00 -0.53 0.00 0.00 39.78 36.77 1smj n ASN 428 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1smj s TYR 429 N -3.27 1.87 0.32 1.20 5.04 -1.26 -5.02 117.35 116.23 1smj s TYR 429 Ca 0.28 0.18 -0.27 0.00 -2.44 0.00 0.00 57.07 54.81 1smj s TYR 429 Cb -0.12 -3.97 -0.09 0.00 0.35 0.00 0.00 41.96 38.12 1smj s TYR 429 CO 0.89 -3.95 1.05 -2.00 -1.34 0.00 0.00 175.55 170.20 1smj s GLU 430 N 4.30 4.48 -0.20 4.97 -6.30 -1.26 -4.98 118.70 119.72 1smj s GLU 430 Ca 0.76 1.62 -0.18 0.00 -2.50 0.00 0.00 54.97 54.68 1smj s GLU 430 Cb -0.33 -2.93 -0.03 0.00 0.00 0.00 0.00 34.13 30.83 1smj s GLU 430 CO 0.31 0.12 0.49 -1.17 0.02 0.00 0.00 175.26 175.03 1smj s LEU 431 N -1.91 4.15 -0.16 2.70 2.96 -1.26 -4.99 118.68 120.18 1smj s LEU 431 Ca 0.49 0.64 0.01 0.00 -0.22 0.00 0.00 54.13 55.05 1smj s LEU 431 Cb -0.27 -2.66 0.01 0.00 0.50 0.00 0.00 46.19 43.77 1smj s LEU 431 CO 0.34 -0.15 -0.17 -0.62 -1.32 0.00 0.00 176.35 174.43 1smj s ASP 432 N 1.11 3.45 -0.63 3.68 -1.08 -1.26 -5.03 116.67 116.91 1smj s ASP 432 Ca 0.23 -0.54 -0.14 0.00 -0.52 0.00 0.00 52.55 51.58 1smj s ASP 432 Cb -0.15 -1.53 0.16 0.00 -1.46 0.00 0.00 42.92 39.94 1smj s ASP 432 CO 0.09 0.06 0.57 -0.63 0.52 0.00 0.00 175.17 175.78 1smj s ILE 433 N 0.97 5.19 -0.58 4.11 1.01 -1.26 0.31 121.20 130.94 1smj s ILE 433 Ca -0.03 -1.91 -0.28 0.00 0.00 0.00 0.00 60.65 58.43 1smj s ILE 433 Cb -0.15 -4.29 0.02 0.00 0.01 0.00 0.00 42.46 38.05 1smj s ILE 433 CO -0.04 -0.91 1.29 -0.75 0.00 0.00 0.00 174.94 174.53 1smj s LYS 434 N 1.03 3.41 0.04 2.79 2.20 0.24 -4.81 119.74 124.64 1smj s LYS 434 Ca 0.09 0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.70 1smj s LYS 434 Cb -0.23 -4.07 -0.08 0.00 -1.51 0.00 0.00 37.83 31.95 1smj s LYS 434 CO -0.02 -1.82 1.65 -1.21 -0.36 0.00 0.00 175.35 173.59 1smj s GLU 435 N 5.24 4.20 -0.46 4.03 2.02 -1.26 -2.62 118.70 129.85 1smj s GLU 435 Ca 0.46 2.30 0.09 0.00 0.02 0.00 0.00 54.97 57.84 1smj s GLU 435 Cb -0.09 -3.69 0.32 0.00 0.10 0.00 0.00 34.13 30.78 1smj s GLU 435 CO 0.25 -0.75 0.77 0.25 0.02 0.00 0.00 175.26 175.79 1smj n THR 436 N 4.88 0.98 0.00 3.63 -2.24 -1.26 -4.90 114.28 115.37 1smj n THR 436 Ca 0.16 -4.87 0.00 0.00 -2.27 0.00 0.00 64.05 57.07 1smj n THR 436 Cb 0.41 -1.02 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 0.33 0.00 -4.48 3.22 4.77 -1.26 -4.77 117.00 114.81 1smj n LEU 437 Ca 0.27 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.89 1smj n LEU 437 Cb 0.54 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.70 1smj n LEU 437 CO 0.26 0.00 0.10 0.35 -1.33 0.00 0.00 177.39 176.77 1smj n THR 438 N 0.00 1.73 -4.68 -5.08 -2.24 -1.26 -4.67 114.28 98.08 1smj n THR 438 Ca 0.00 -0.38 -0.34 0.00 -2.27 0.00 0.00 64.05 61.07 1smj n THR 438 Cb 0.00 -0.76 -0.12 0.00 -2.10 0.00 0.00 70.33 67.35 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 -0.57 3.04 -0.01 3.22 1.43 -1.15 -4.17 118.68 120.47 1smj s LEU 439 Ca 0.66 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 53.37 1smj s LEU 439 Cb -0.34 -1.66 0.07 0.00 0.03 0.00 0.00 46.19 44.29 1smj s LEU 439 CO 0.58 0.33 0.65 -0.75 0.23 0.00 0.00 176.35 177.39 1smj s LYS 440 N -0.60 1.09 -0.09 1.70 2.20 -1.08 -4.74 119.74 118.23 1smj s LYS 440 Ca 0.09 0.10 -0.29 0.00 -0.36 0.00 0.00 55.97 55.51 1smj s LYS 440 Cb -0.12 0.51 -0.02 0.00 -1.51 0.00 0.00 37.83 36.70 1smj s LYS 440 CO 0.02 -0.37 0.99 -2.14 -0.36 0.00 0.00 175.35 173.48 1smj s PRO 441 N -1.70 4.44 0.04 4.03 0.02 -1.26 0.79 135.00 141.36 1smj s PRO 441 Ca -0.09 1.36 -0.05 0.00 0.02 0.00 0.00 61.00 62.25 1smj s PRO 441 Cb -0.00 -3.53 -0.05 0.00 0.02 0.00 0.00 34.50 30.94 1smj s PRO 441 CO 0.05 -0.26 0.27 -2.00 -0.33 0.00 0.00 177.00 174.72 1smj s GLU 442 N 1.83 3.54 -1.55 5.54 2.12 0.15 -4.35 118.70 125.98 1smj s GLU 442 Ca 0.48 -0.17 -0.12 0.00 0.36 0.00 0.00 54.97 55.52 1smj s GLU 442 Cb -0.19 -3.03 0.09 0.00 0.26 0.00 0.00 34.13 31.26 1smj s GLU 442 CO 0.19 0.61 0.80 0.41 -0.54 0.00 0.00 175.26 176.73 1smj n GLY 443 N 0.77 -0.41 3.67 -1.50 0.00 -1.26 -4.51 105.19 101.94 1smj n GLY 443 Ca -0.08 0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.45 3.37 0.35 1.61 5.36 -1.26 -5.02 117.98 118.94 1smj s PHE 444 Ca 0.51 0.60 0.07 0.00 -0.96 0.00 0.00 56.93 57.15 1smj s PHE 444 Cb -0.27 -2.52 -0.07 0.00 -0.34 0.00 0.00 43.02 39.82 1smj s PHE 444 CO 0.87 -0.02 -0.02 0.14 -1.46 0.00 0.00 175.22 174.74 1smj s VAL 445 N 1.33 1.80 0.13 3.12 -7.23 -1.26 -1.60 120.40 116.68 1smj s VAL 445 Ca 0.19 -2.08 -0.25 0.00 -1.81 0.00 0.00 61.98 58.03 1smj s VAL 445 Cb -0.15 -2.75 0.07 0.00 0.56 0.00 0.00 36.38 34.11 1smj s VAL 445 CO 0.08 -0.12 0.90 0.68 -0.31 0.00 0.00 175.10 176.34 1smj s VAL 446 N -2.88 0.00 -0.05 1.32 -7.23 -1.02 -4.66 120.40 105.88 1smj s VAL 446 Ca 0.33 -0.50 0.05 0.00 -1.81 0.00 0.00 61.98 60.06 1smj s VAL 446 Cb 0.07 -1.71 -0.01 0.00 0.56 0.00 0.00 36.38 35.29 1smj s VAL 446 CO 0.16 0.00 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.98 1smj s LYS 447 N -3.33 2.18 -0.30 4.82 2.20 -0.37 0.54 119.74 125.49 1smj s LYS 447 Ca 0.10 -0.78 0.03 0.00 -0.36 0.00 0.00 55.97 54.96 1smj s LYS 447 Cb -0.02 -1.89 0.09 0.00 -1.51 0.00 0.00 37.83 34.50 1smj s LYS 447 CO -0.01 0.34 0.00 0.00 -0.36 0.00 0.00 175.35 175.32 1smj s ALA 448 N -0.12 2.53 0.10 3.13 0.00 -1.26 -1.88 121.76 124.26 1smj s ALA 448 Ca -0.03 -2.09 -0.28 0.00 0.00 0.00 0.00 51.96 49.57 1smj s ALA 448 Cb -0.12 -1.76 -0.06 0.00 0.00 0.00 0.00 23.12 21.17 1smj s ALA 448 CO 0.03 -1.50 0.86 0.15 0.00 0.00 0.00 175.76 175.30 1smj s LYS 449 N 1.10 4.62 -0.19 0.00 -0.14 -0.31 -4.79 119.74 120.02 1smj s LYS 449 Ca 0.04 1.27 -0.15 0.00 -1.36 0.00 0.00 55.97 55.77 1smj s LYS 449 Cb -0.19 -3.35 -0.04 0.00 -1.68 0.00 0.00 37.83 32.57 1smj s LYS 449 CO -0.09 0.30 0.34 -1.54 -0.76 0.00 0.00 175.35 173.61 1smj s SER 450 N -0.24 6.41 0.00 2.83 1.04 -1.26 0.50 113.70 122.97 1smj s SER 450 Ca 0.42 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1smj s SER 450 Cb -0.22 -2.20 0.00 0.00 0.10 0.00 0.00 66.02 63.69 1smj s SER 450 CO 0.27 -0.01 0.23 0.29 0.98 0.00 0.00 173.24 175.00 1smj n LYS 451 N 4.18 0.33 -1.69 4.02 5.02 0.16 -4.85 118.16 125.35 1smj n LYS 451 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1smj n LYS 451 Cb 0.51 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 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 0.51 -0.39 -3.60 1.97 5.02 -1.26 -4.98 118.16 115.42 1smj n LYS 452 Ca 0.00 -0.20 -0.37 0.00 -2.02 0.00 0.00 58.31 55.73 1smj n LYS 452 Cb 0.11 0.35 -0.09 0.00 -0.02 0.00 0.00 35.03 35.39 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 -2.09 5.33 0.90 -0.18 1.01 -1.26 -5.12 121.20 119.79 1smj s ILE 453 Ca 0.00 0.33 -0.12 0.00 0.00 0.00 0.00 60.65 60.87 1smj s ILE 453 Cb 0.00 -3.56 0.13 0.00 0.01 0.00 0.00 42.46 39.04 1smj s ILE 453 CO 0.00 0.35 1.11 -2.16 0.00 0.00 0.00 174.94 174.23 1smj s PRO 454 N 0.93 1.25 0.00 2.79 0.04 -1.26 -5.00 135.00 133.75 1smj s PRO 454 Ca 0.11 0.54 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1smj s PRO 454 Cb -0.13 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1smj s PRO 454 CO 0.04 -2.18 0.00 1.47 0.04 0.00 0.00 177.00 176.37