#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swx s LEU 9 N 0.00 3.82 0.52 1.47 1.02 -1.26 -4.99 118.68 119.26 1swx s LEU 9 Ca 0.00 1.83 -0.22 0.00 0.02 0.00 0.00 54.13 55.77 1swx s LEU 9 Cb 0.00 -4.55 -0.07 0.00 0.02 0.00 0.00 46.19 41.59 1swx s LEU 9 CO 0.00 -0.70 1.12 0.29 0.02 0.00 0.00 176.35 177.08 1swx n LYS 10 N -1.02 1.34 -1.90 1.70 5.02 -1.26 -4.89 118.16 117.15 1swx n LYS 10 Ca 0.08 0.50 -0.38 0.00 -2.02 0.00 0.00 58.31 56.49 1swx n LYS 10 Cb 0.53 -2.27 0.02 0.00 -0.02 0.00 0.00 35.03 33.29 1swx n LYS 10 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1swx s PRO 11 N -2.55 3.44 0.19 1.97 0.04 -1.26 -4.91 135.00 131.91 1swx s PRO 11 Ca 0.70 2.18 -0.33 0.00 0.04 0.00 0.00 61.00 63.58 1swx s PRO 11 Cb -0.46 -2.41 -0.14 0.00 0.04 0.00 0.00 34.50 31.53 1swx s PRO 11 CO 0.51 -0.93 1.55 1.28 0.04 0.00 0.00 177.00 179.45 1swx n LEU 12 N -0.65 3.20 -4.74 -3.56 4.77 -1.26 -4.94 117.00 109.82 1swx n LEU 12 Ca 0.08 1.10 -0.30 0.00 -0.03 0.00 0.00 56.01 56.86 1swx n LEU 12 Cb 0.45 -1.44 0.13 0.00 -2.33 0.00 0.00 43.42 40.22 1swx n LEU 12 CO 0.53 -0.29 0.68 -2.84 -1.33 0.00 0.00 177.39 174.14 1swx s PRO 13 N 0.57 1.44 0.29 3.23 0.02 -1.26 -4.89 135.00 134.40 1swx s PRO 13 Ca 0.76 0.78 0.03 0.00 0.02 0.00 0.00 61.00 62.59 1swx s PRO 13 Cb -0.65 -1.83 0.64 0.00 0.02 0.00 0.00 34.50 32.67 1swx s PRO 13 CO 0.41 -2.10 1.79 0.00 -0.33 0.00 0.00 177.00 176.76 1swx h ALA 14 N -1.45 1.53 -0.57 -1.55 0.00 -1.95 -1.36 119.26 113.91 1swx h ALA 14 Ca -0.49 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1swx h ALA 14 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1swx h ALA 14 CO 0.56 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.41 1swx n ASP 15 N -4.76 3.43 -1.19 0.00 5.68 -1.26 -4.96 116.55 113.49 1swx n ASP 15 Ca 0.21 -1.98 -0.15 0.00 -0.50 0.00 0.00 54.79 52.36 1swx n ASP 15 Cb 0.48 -0.38 -0.06 0.00 -1.14 0.00 0.00 41.12 40.02 1swx n ASP 15 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1swx n LYS 16 N 1.40 -1.58 -3.00 0.11 5.02 -0.51 -4.94 118.16 114.65 1swx n LYS 16 Ca 0.21 1.01 -0.43 0.00 -2.02 0.00 0.00 58.31 57.08 1swx n LYS 16 Cb 0.56 -5.39 -0.05 0.00 -0.02 0.00 0.00 35.03 30.12 1swx n LYS 16 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1swx s GLN 17 N -3.26 3.25 -0.13 1.97 -1.52 -1.26 -4.93 119.66 113.79 1swx s GLN 17 Ca 0.00 -0.49 -0.29 0.00 -1.95 0.00 0.00 55.36 52.63 1swx s GLN 17 Cb 0.00 -4.04 -0.01 0.00 -0.22 0.00 0.00 33.01 28.74 1swx s GLN 17 CO 0.00 -1.29 0.99 0.42 -0.25 0.00 0.00 175.29 175.16 1swx s ILE 18 N 3.25 4.78 0.05 1.08 1.01 -1.26 -4.74 121.20 125.37 1swx s ILE 18 Ca 0.24 1.99 -0.30 0.00 0.00 0.00 0.00 60.65 62.58 1swx s ILE 18 Cb -0.15 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 1swx s ILE 18 CO 0.17 -0.02 1.16 -1.61 0.00 0.00 0.00 174.94 174.64 1swx s GLU 19 N 2.18 4.45 0.09 2.79 2.02 -1.26 -1.55 118.70 127.42 1swx s GLU 19 Ca 0.47 1.71 -0.25 0.00 0.02 0.00 0.00 54.97 56.91 1swx s GLU 19 Cb -0.18 -3.37 -0.14 0.00 0.10 0.00 0.00 34.13 30.54 1swx s GLU 19 CO 0.16 -0.22 1.70 1.15 0.02 0.00 0.00 175.26 178.07 1swx h THR 20 N 4.57 0.78 0.36 3.63 2.02 -0.97 -2.45 112.91 120.84 1swx h THR 20 Ca -0.41 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 1swx h THR 20 Cb 1.21 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1swx h THR 20 CO 0.80 0.00 -0.17 1.23 0.37 0.00 0.00 175.52 177.75 1swx h GLY 21 N -0.25 -0.50 1.19 2.16 0.00 -1.87 -0.91 103.07 102.89 1swx h GLY 21 Ca -0.01 0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.52 1swx h GLY 21 CO 0.00 -0.18 0.51 -2.55 0.00 0.00 0.00 176.54 174.32 1swx h PRO 22 N -0.59 0.98 0.18 4.80 0.11 -1.95 -1.27 132.00 134.26 1swx h PRO 22 Ca -0.05 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.02 1swx h PRO 22 Cb 0.43 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.29 1swx h PRO 22 CO 0.08 0.65 -0.29 0.35 -0.21 0.00 0.00 178.00 178.57 1swx h PHE 23 N 1.01 -0.79 -0.90 0.65 3.57 -1.15 -0.41 116.94 118.92 1swx h PHE 23 Ca 0.29 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.81 1swx h PHE 23 Cb -0.05 0.33 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 1swx h PHE 23 CO -0.00 -0.41 0.56 -0.07 -2.23 0.00 0.00 178.31 176.16 1swx h LEU 24 N -0.55 1.06 -0.57 0.59 3.38 -0.93 -0.46 115.31 117.83 1swx h LEU 24 Ca 0.02 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1swx h LEU 24 Cb 0.55 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1swx h LEU 24 CO -0.13 0.80 0.36 -0.08 0.09 0.00 0.00 178.44 179.47 1swx h GLU 25 N 1.23 0.77 -0.07 1.13 4.57 -1.08 -1.47 114.58 119.66 1swx h GLU 25 Ca 0.33 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.42 1swx h GLU 25 Cb -0.09 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.34 1swx h GLU 25 CO -0.06 0.53 -0.06 0.00 -1.18 0.00 0.00 179.01 178.24 1swx h ALA 26 N 1.19 0.10 0.00 2.92 0.00 -0.14 -3.14 119.26 120.19 1swx h ALA 26 Ca 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1swx h ALA 26 Cb -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1swx h ALA 26 CO -0.04 -0.10 0.00 -0.39 0.00 0.00 0.00 179.25 178.72 1swx h VAL 27 N -0.26 0.00 0.00 0.00 -1.51 -1.07 -2.27 116.25 111.15 1swx h VAL 27 Ca 0.01 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.08 1swx h VAL 27 Cb 0.56 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 1swx h VAL 27 CO 0.02 0.00 0.00 0.77 -1.23 0.00 0.00 177.57 177.13 1swx h SER 28 N 0.00 0.00 0.51 4.19 4.64 -1.21 -1.82 113.55 119.87 1swx h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1swx h SER 28 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1swx h SER 28 CO 0.00 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.37 1swx n HIS 29 N -2.75 0.00 -0.02 4.77 8.25 -0.85 -4.28 115.22 120.35 1swx n HIS 29 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1swx n HIS 29 Cb 0.22 -0.28 -0.13 0.00 1.12 0.00 0.00 29.99 30.92 1swx n HIS 29 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1swx h LEU 30 N 0.00 0.29 -1.01 2.41 3.38 -1.50 -3.37 115.31 115.51 1swx h LEU 30 Ca 0.00 -0.80 0.20 0.00 0.09 0.00 0.00 57.88 57.37 1swx h LEU 30 Cb 0.26 -0.09 -0.11 0.00 0.09 0.00 0.00 40.66 40.80 1swx h LEU 30 CO 0.00 1.59 0.61 -0.65 0.09 0.00 0.00 178.44 180.08 1swx h PRO 31 N -0.43 0.71 -0.29 1.13 0.11 -1.74 -1.66 132.00 129.81 1swx h PRO 31 Ca -0.31 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.84 1swx h PRO 31 Cb 1.66 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.60 1swx h PRO 31 CO 0.01 0.47 0.24 -1.35 -0.21 0.00 0.00 178.00 177.16 1swx h PRO 32 N 0.73 0.00 0.00 1.05 0.11 -1.81 -1.29 132.00 130.79 1swx h PRO 32 Ca 0.59 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.68 1swx h PRO 32 Cb 0.97 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.08 1swx h PRO 32 CO -0.40 0.00 -0.11 0.74 -0.21 0.00 0.00 178.00 178.02 1swx h PHE 33 N 0.00 0.00 0.00 0.65 0.04 -1.47 -0.92 116.94 115.23 1swx h PHE 33 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1swx h PHE 33 Cb 0.62 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.77 1swx h PHE 33 CO 0.00 0.11 0.00 1.19 -0.60 0.00 0.00 178.31 179.01 1swx n PHE 34 N -3.38 0.00 -0.13 -0.55 3.72 -0.49 -2.74 117.46 113.90 1swx n PHE 34 Ca -0.01 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.48 1swx n PHE 34 Cb 0.28 -0.49 0.22 0.00 -0.94 0.00 0.00 39.48 38.56 1swx n PHE 34 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1swx n ASP 35 N -1.49 3.37 0.10 4.37 8.00 -0.35 -1.19 116.55 129.36 1swx n ASP 35 Ca 0.04 -1.96 0.12 0.00 0.71 0.00 0.00 54.79 53.70 1swx n ASP 35 Cb 0.20 -0.32 0.45 0.00 -0.02 0.00 0.00 41.12 41.43 1swx n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1swx n LEU 37 N -2.09 3.03 0.00 0.00 4.77 -1.26 -4.82 117.00 116.63 1swx n LEU 37 Ca 0.04 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 1swx n LEU 37 Cb 0.29 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1swx n LEU 37 CO 0.22 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1swx n GLY 38 N 1.39 0.69 3.73 -0.72 0.00 -0.84 -4.95 105.19 104.49 1swx n GLY 38 Ca 0.16 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1swx n GLY 38 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1swx s SER 39 N -4.00 6.59 0.57 1.61 0.15 -1.26 -4.84 113.70 112.51 1swx s SER 39 Ca 0.00 2.68 -0.21 0.00 0.70 0.00 0.00 55.95 59.12 1swx s SER 39 Cb 0.00 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 1swx s SER 39 CO 0.00 -0.79 1.32 -2.65 1.20 0.00 0.00 173.24 172.32 1swx n PRO 40 N 3.13 1.54 -4.17 5.44 -0.02 -1.26 -4.86 135.00 134.80 1swx n PRO 40 Ca 0.10 0.57 -0.27 0.00 -2.02 0.00 0.00 63.50 61.89 1swx n PRO 40 Cb 0.39 -2.54 -0.07 0.00 -0.02 0.00 0.00 33.50 31.26 1swx n PRO 40 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1swx s VAL 41 N -1.32 3.90 -1.48 -1.45 -7.23 -0.33 -4.70 120.40 107.80 1swx s VAL 41 Ca 0.74 -1.30 -0.01 0.00 -1.81 0.00 0.00 61.98 59.60 1swx s VAL 41 Cb -0.41 -2.96 0.01 0.00 0.56 0.00 0.00 36.38 33.58 1swx s VAL 41 CO 0.47 -0.08 0.25 0.49 -0.31 0.00 0.00 175.10 175.92 1swx n PHE 42 N -0.08 -1.48 -0.37 2.82 3.72 -1.26 -4.77 117.46 116.04 1swx n PHE 42 Ca -0.10 0.69 0.02 0.00 -0.05 0.00 0.00 57.45 58.02 1swx n PHE 42 Cb 0.55 -3.31 0.17 0.00 -0.94 0.00 0.00 39.48 35.94 1swx n PHE 42 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1swx h THR 43 N -1.80 1.10 -0.14 4.37 2.02 -1.92 -1.82 112.91 114.72 1swx h THR 43 Ca -0.64 -0.40 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 1swx h THR 43 Cb 1.39 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1swx h THR 43 CO 0.67 0.22 -0.11 1.55 0.37 0.00 0.00 175.52 178.22 1swx h PRO 44 N 1.18 0.21 -0.14 6.66 0.14 -1.93 -0.25 132.00 137.86 1swx h PRO 44 Ca 0.43 -0.04 -0.08 0.00 0.14 0.00 0.00 66.00 66.44 1swx h PRO 44 Cb 0.15 -0.03 -0.00 0.00 0.14 0.00 0.00 31.00 31.26 1swx h PRO 44 CO -0.17 0.33 -0.22 0.82 0.14 0.00 0.00 178.00 178.90 1swx h ILE 45 N 0.20 1.36 -0.41 -3.56 2.04 -1.72 -2.30 117.51 113.13 1swx h ILE 45 Ca 0.04 -1.46 0.06 0.00 1.00 0.00 0.00 64.86 64.51 1swx h ILE 45 Cb 0.32 1.97 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 1swx h ILE 45 CO 0.02 0.43 0.11 0.50 0.00 0.00 0.00 178.15 179.21 1swx h LYS 46 N 0.02 0.24 -0.54 2.37 3.64 -0.97 -1.86 116.57 119.46 1swx h LYS 46 Ca 0.01 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1swx h LYS 46 Cb 0.80 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.54 1swx h LYS 46 CO 0.05 0.16 0.07 0.00 -2.27 0.00 0.00 179.45 177.46 1swx h ALA 47 N 1.29 0.73 -0.05 5.00 0.00 -1.09 -0.43 119.26 124.71 1swx h ALA 47 Ca 0.19 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1swx h ALA 47 Cb 0.22 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1swx h ALA 47 CO -0.23 0.48 0.03 0.22 0.00 0.00 0.00 179.25 179.76 1swx h ASP 48 N 0.80 0.06 -0.25 0.00 3.58 -1.17 -0.60 116.42 118.84 1swx h ASP 48 Ca 0.16 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 1swx h ASP 48 Cb 0.43 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 1swx h ASP 48 CO 0.01 0.04 0.14 0.40 -2.88 0.00 0.00 179.24 176.95 1swx h ILE 49 N 0.07 1.12 -0.25 2.25 2.04 -1.13 -2.07 117.51 119.52 1swx h ILE 49 Ca 0.02 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1swx h ILE 49 Cb -0.01 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1swx h ILE 49 CO -0.00 0.12 0.14 -1.28 0.00 0.00 0.00 178.15 177.12 1swx h SER 50 N 0.29 0.32 -0.82 1.72 0.87 -0.88 -0.52 113.55 114.52 1swx h SER 50 Ca 0.09 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1swx h SER 50 Cb 0.07 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 61.91 1swx h SER 50 CO -0.01 0.32 0.46 1.23 -0.53 0.00 0.00 176.83 178.29 1swx h GLY 51 N 0.29 1.23 1.37 5.77 0.00 -1.08 -1.33 103.07 109.32 1swx h GLY 51 Ca 0.09 -0.54 -0.21 0.00 0.00 0.00 0.00 47.33 46.67 1swx h GLY 51 CO -0.01 0.52 -0.76 3.43 0.00 0.00 0.00 176.54 179.72 1swx h ASN 52 N 1.16 0.74 -0.47 0.19 2.35 -1.08 -2.40 115.58 116.06 1swx h ASN 52 Ca 0.29 -0.49 0.02 0.00 -0.55 0.00 0.00 56.30 55.58 1swx h ASN 52 Cb 0.01 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1swx h ASN 52 CO -0.05 1.26 0.28 0.40 -1.65 0.00 0.00 177.43 177.67 1swx h ILE 53 N 0.42 1.04 -0.71 2.81 2.04 -0.89 -1.89 117.51 120.32 1swx h ILE 53 Ca -0.04 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.67 1swx h ILE 53 Cb 1.37 0.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 1swx h ILE 53 CO 0.15 0.10 0.44 0.74 0.00 0.00 0.00 178.15 179.57 1swx h THR 54 N 0.55 1.06 -0.50 -0.27 2.02 -1.12 -0.24 112.91 114.41 1swx h THR 54 Ca 0.19 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.99 1swx h THR 54 Cb 0.03 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 1swx h THR 54 CO -0.09 0.15 -0.06 0.11 0.37 0.00 0.00 175.52 176.00 1swx h LYS 55 N 0.83 0.92 -0.12 6.66 1.57 -1.07 -1.71 116.57 123.65 1swx h LYS 55 Ca 0.30 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1swx h LYS 55 Cb 0.08 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1swx h LYS 55 CO -0.13 0.98 0.02 0.82 -0.57 0.00 0.00 179.45 180.56 1swx h ILE 56 N 0.78 1.22 -0.73 1.86 2.04 -1.09 -2.75 117.51 118.86 1swx h ILE 56 Ca 0.13 -0.71 0.08 0.00 1.00 0.00 0.00 64.86 65.36 1swx h ILE 56 Cb 0.60 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 1swx h ILE 56 CO 0.04 0.21 0.48 0.50 0.00 0.00 0.00 178.15 179.37 1swx h LYS 57 N -0.03 0.67 -0.47 2.37 3.64 -0.99 -0.07 116.57 121.70 1swx h LYS 57 Ca 0.04 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1swx h LYS 57 Cb 0.31 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 1swx h LYS 57 CO 0.00 0.44 -0.07 0.00 -2.27 0.00 0.00 179.45 177.56 1swx h ALA 58 N 1.62 1.01 -0.02 5.00 0.00 -1.12 0.99 119.26 126.73 1swx h ALA 58 Ca 0.33 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1swx h ALA 58 Cb 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1swx h ALA 58 CO -0.11 0.60 -0.05 0.28 0.00 0.00 0.00 179.25 179.97 1swx h VAL 59 N 0.75 1.45 -0.75 0.00 2.07 -1.04 -3.27 116.25 115.46 1swx h VAL 59 Ca 0.13 -1.40 0.10 0.00 0.82 0.00 0.00 66.70 66.35 1swx h VAL 59 Cb 0.55 2.34 -0.07 0.00 -1.52 0.00 0.00 31.29 32.58 1swx h VAL 59 CO 0.03 0.37 0.39 0.22 0.02 0.00 0.00 177.57 178.60 1swx h TYR 60 N -0.48 0.69 0.00 1.57 3.20 -0.94 -2.63 116.97 118.38 1swx h TYR 60 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1swx h TYR 60 Cb 0.63 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.70 1swx h TYR 60 CO 0.12 0.25 -0.10 -0.44 -1.64 0.00 0.00 178.16 176.36 1swx h ASP 61 N 0.65 0.00 0.52 -2.11 3.32 -0.85 -1.88 116.42 116.07 1swx h ASP 61 Ca 0.37 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.34 1swx h ASP 61 Cb 0.39 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1swx h ASP 61 CO -0.27 0.10 -0.35 0.71 -1.72 0.00 0.00 179.24 177.71 1swx h THR 62 N 0.00 1.06 -0.55 0.35 1.35 -1.52 -3.40 112.91 110.19 1swx h THR 62 Ca -0.00 -1.30 -0.13 0.00 -0.55 0.00 0.00 66.41 64.43 1swx h THR 62 Cb 0.33 1.74 -0.15 0.00 -1.73 0.00 0.00 68.15 68.34 1swx h THR 62 CO 0.01 0.35 -0.40 -3.20 -0.25 0.00 0.00 175.52 172.03 1swx n ASN 63 N -3.84 -2.85 0.14 5.36 2.85 -0.83 -5.03 115.26 111.06 1swx n ASN 63 Ca -0.01 -2.61 0.17 0.00 -0.11 0.00 0.00 54.58 52.01 1swx n ASN 63 Cb 0.43 1.54 0.75 0.00 1.24 0.00 0.00 39.78 43.73 1swx n ASN 63 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1swx h PRO 64 N 4.49 0.00 -0.02 1.20 0.11 -1.59 -1.65 132.00 134.54 1swx h PRO 64 Ca -0.02 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.85 1swx h PRO 64 Cb 1.11 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.23 1swx h PRO 64 CO 0.05 0.00 -0.89 0.00 -0.21 0.00 0.00 178.00 176.95 1swx h ALA 65 N 1.78 0.14 -0.40 -0.75 0.00 -1.96 -1.61 119.26 116.46 1swx h ALA 65 Ca 0.13 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.31 1swx h ALA 65 Cb 0.61 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1swx h ALA 65 CO -0.00 0.60 -0.09 -0.22 0.00 0.00 0.00 179.25 179.54 1swx h LYS 66 N 0.29 0.69 -0.83 0.00 3.64 -1.79 -2.95 116.57 115.62 1swx h LYS 66 Ca -0.11 -0.21 -0.54 0.00 -1.27 0.00 0.00 60.65 58.53 1swx h LYS 66 Cb 1.56 -0.07 -0.30 0.00 -0.41 0.00 0.00 32.23 33.01 1swx h LYS 66 CO 0.18 0.76 0.25 1.19 -2.27 0.00 0.00 179.45 179.56 1swx n PHE 67 N -4.19 2.73 -0.35 1.91 3.72 -0.68 -4.65 117.46 115.95 1swx n PHE 67 Ca 0.01 -2.43 -0.02 0.00 -0.05 0.00 0.00 57.45 54.96 1swx n PHE 67 Cb 0.33 -0.94 0.13 0.00 -0.94 0.00 0.00 39.48 38.06 1swx n PHE 67 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1swx h ARG 68 N 1.74 1.26 -5.98 -1.08 2.43 -1.11 -3.41 114.38 108.24 1swx h ARG 68 Ca 0.49 -0.09 -0.59 0.00 -0.81 0.00 0.00 59.98 58.98 1swx h ARG 68 Cb 1.41 -0.28 -0.11 0.00 -0.42 0.00 0.00 29.97 30.57 1swx h ARG 68 CO 1.12 0.85 -0.63 0.95 -1.51 0.00 0.00 179.97 180.75 1swx s THR 69 N -6.03 2.49 0.19 0.20 -4.23 -1.26 -0.41 115.64 106.59 1swx s THR 69 Ca -0.13 -2.02 -0.09 0.00 -1.18 0.00 0.00 61.69 58.28 1swx s THR 69 Cb 0.18 -2.78 0.07 0.00 1.34 0.00 0.00 72.50 71.31 1swx s THR 69 CO 0.82 -0.18 1.65 -0.07 -0.54 0.00 0.00 174.62 176.29 1swx h LEU 70 N 1.84 1.06 -1.04 4.79 3.38 -1.56 -2.07 115.31 121.71 1swx h LEU 70 Ca -0.43 -0.30 0.04 0.00 0.09 0.00 0.00 57.88 57.29 1swx h LEU 70 Cb 1.25 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 1swx h LEU 70 CO 0.68 1.10 0.64 -0.61 0.09 0.00 0.00 178.44 180.35 1swx h GLN 71 N 0.98 1.19 -0.73 1.13 5.75 -1.96 -1.94 115.11 119.53 1swx h GLN 71 Ca 0.17 -0.07 0.06 0.00 -0.15 0.00 0.00 58.65 58.66 1swx h GLN 71 Cb 0.56 -0.27 -0.05 0.00 1.07 0.00 0.00 27.48 28.78 1swx h GLN 71 CO 0.03 0.79 0.43 -0.91 -2.65 0.00 0.00 178.83 176.52 1swx h ASN 72 N 1.22 0.66 -0.37 -0.69 2.35 -1.72 -0.70 115.58 116.33 1swx h ASN 72 Ca 0.40 0.02 0.07 0.00 -0.55 0.00 0.00 56.30 56.24 1swx h ASN 72 Cb 0.04 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.24 1swx h ASN 72 CO -0.13 0.43 0.01 0.40 -1.65 0.00 0.00 177.43 176.49 1swx h ILE 73 N 0.79 0.74 -0.21 2.81 2.04 -0.76 0.04 117.51 122.95 1swx h ILE 73 Ca 0.32 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 66.09 1swx h ILE 73 Cb 0.16 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1swx h ILE 73 CO -0.17 0.02 -0.04 -0.07 0.00 0.00 0.00 178.15 177.89 1swx h LEU 74 N 0.12 0.41 -0.20 1.44 4.07 -1.12 -1.69 115.31 118.34 1swx h LEU 74 Ca 0.18 -0.36 -0.13 0.00 0.08 0.00 0.00 57.88 57.65 1swx h LEU 74 Cb 0.25 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1swx h LEU 74 CO -0.29 0.67 -0.39 1.05 -1.08 0.00 0.00 178.44 178.40 1swx h GLU 75 N 0.14 0.62 -0.39 1.13 4.11 -0.95 -1.26 114.58 117.97 1swx h GLU 75 Ca 0.06 -0.39 0.01 0.00 0.07 0.00 0.00 59.36 59.10 1swx h GLU 75 Cb 0.48 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1swx h GLU 75 CO 0.02 1.01 0.24 0.28 0.07 0.00 0.00 179.01 180.63 1swx h VAL 76 N 0.30 1.06 -0.12 -1.06 2.07 -1.03 -1.92 116.25 115.54 1swx h VAL 76 Ca 0.01 -0.17 -0.12 0.00 0.82 0.00 0.00 66.70 67.24 1swx h VAL 76 Cb 0.98 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1swx h VAL 76 CO 0.09 0.09 -0.46 -0.33 0.02 0.00 0.00 177.57 176.98 1swx h GLU 77 N 0.48 0.30 -0.40 1.57 5.08 -1.30 -0.64 114.58 119.68 1swx h GLU 77 Ca 0.15 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1swx h GLU 77 Cb -0.01 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1swx h GLU 77 CO -0.06 0.70 0.24 -0.22 -1.00 0.00 0.00 179.01 178.67 1swx h LYS 78 N 0.24 0.47 -0.43 2.33 3.64 -1.06 -0.50 116.57 121.27 1swx h LYS 78 Ca 0.02 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1swx h LYS 78 Cb 0.90 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1swx h LYS 78 CO 0.07 0.31 0.21 1.49 -2.27 0.00 0.00 179.45 179.27 1swx h GLU 79 N 0.49 0.61 -0.43 1.90 4.22 -1.05 -2.35 114.58 117.97 1swx h GLU 79 Ca 0.16 -0.09 -0.06 0.00 0.08 0.00 0.00 59.36 59.45 1swx h GLU 79 Cb -0.00 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1swx h GLU 79 CO -0.07 0.52 0.03 0.52 -2.18 0.00 0.00 179.01 177.83 1swx h MET 80 N 0.55 0.74 -0.01 1.92 2.86 -0.74 -3.32 114.93 116.93 1swx h MET 80 Ca 0.15 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1swx h MET 80 Cb 0.11 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1swx h MET 80 CO -0.02 0.80 -0.43 0.66 1.06 0.00 0.00 176.91 178.98 1swx n TYR 81 N -4.44 0.00 -1.37 -0.22 4.01 -0.23 -5.05 117.16 109.87 1swx n TYR 81 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1swx n TYR 81 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1swx n TYR 81 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1swx n GLY 82 N 1.20 3.14 0.15 2.72 0.00 -0.89 -2.95 105.19 108.57 1swx n GLY 82 Ca 0.06 -0.23 0.13 0.00 0.00 0.00 0.00 46.02 45.98 1swx n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swx h ALA 83 N -0.90 1.00 -0.23 4.61 0.00 -1.97 -2.41 119.26 119.36 1swx h ALA 83 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1swx h ALA 83 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1swx h ALA 83 CO 0.00 0.00 -0.31 1.49 0.00 0.00 0.00 179.25 180.43 1swx h GLU 84 N 0.00 0.46 -6.94 0.00 4.81 -1.94 -3.44 114.58 107.54 1swx h GLU 84 Ca 0.00 -0.20 -0.53 0.00 -0.13 0.00 0.00 59.36 58.50 1swx h GLU 84 Cb 0.49 -0.02 0.10 0.00 0.63 0.00 0.00 28.75 29.95 1swx h GLU 84 CO 0.00 0.73 0.71 -0.46 -0.73 0.00 0.00 179.01 179.26 1swx s TRP 85 N -4.38 2.71 -1.82 0.92 -0.00 -0.91 -1.80 118.94 113.66 1swx s TRP 85 Ca -0.07 1.28 0.15 0.00 -0.00 0.00 0.00 56.10 57.46 1swx s TRP 85 Cb 0.13 -3.88 0.46 0.00 -0.00 0.00 0.00 33.47 30.19 1swx s TRP 85 CO 0.80 -2.59 1.37 -0.35 -0.00 0.00 0.00 176.95 176.18 1swx n PRO 86 N 0.39 2.34 -1.56 5.86 -0.04 -1.26 -4.98 135.00 135.75 1swx n PRO 86 Ca 0.02 -1.85 -0.33 0.00 -0.04 0.00 0.00 63.50 61.29 1swx n PRO 86 Cb 0.41 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 1swx n PRO 86 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1swx n LYS 87 N 0.91 3.56 -3.63 0.54 4.81 -0.74 -3.54 118.16 120.06 1swx n LYS 87 Ca 0.17 -2.54 -0.15 0.00 -0.87 0.00 0.00 58.31 54.92 1swx n LYS 87 Cb 0.48 -2.50 -0.07 0.00 0.02 0.00 0.00 35.03 32.97 1swx n LYS 87 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1swx s VAL 88 N -0.10 0.03 0.00 3.15 0.11 -1.26 -4.98 120.40 117.35 1swx s VAL 88 Ca 0.61 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 59.39 1swx s VAL 88 Cb 0.24 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1swx s VAL 88 CO -0.10 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.14 1swx n GLY 89 N 0.90 1.40 0.22 6.54 0.00 -1.26 -1.38 105.19 111.60 1swx n GLY 89 Ca -0.20 -0.55 0.08 0.00 0.00 0.00 0.00 46.02 45.35 1swx n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swx h ALA 90 N -0.94 1.22 -0.36 4.61 0.00 -1.94 -2.60 119.26 119.26 1swx h ALA 90 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1swx h ALA 90 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1swx h ALA 90 CO 0.00 0.31 0.18 1.15 0.00 0.00 0.00 179.25 180.89 1swx h THR 91 N 0.00 1.16 -0.26 0.00 2.02 -1.85 0.63 112.91 114.62 1swx h THR 91 Ca -0.00 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.68 1swx h THR 91 Cb 0.58 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1swx h THR 91 CO 0.03 0.17 -0.00 0.25 0.37 0.00 0.00 175.52 176.34 1swx h LEU 92 N 0.45 0.45 -0.62 2.58 5.85 -1.08 -0.72 115.31 122.21 1swx h LEU 92 Ca 0.12 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.57 1swx h LEU 92 Cb 0.11 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.97 1swx h LEU 92 CO -0.02 0.65 0.37 0.00 -0.34 0.00 0.00 178.44 179.10 1swx h ALA 93 N 0.81 0.81 -0.04 1.25 0.00 -1.26 -2.29 119.26 118.55 1swx h ALA 93 Ca 0.07 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1swx h ALA 93 Cb 0.42 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1swx h ALA 93 CO 0.01 0.08 -0.41 1.25 0.00 0.00 0.00 179.25 180.19 1swx h LEU 94 N 0.71 0.08 -0.91 0.00 5.85 -0.83 0.15 115.31 120.37 1swx h LEU 94 Ca 0.26 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1swx h LEU 94 Cb 0.08 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 1swx h LEU 94 CO -0.13 0.49 0.59 -0.03 -0.34 0.00 0.00 178.44 179.01 1swx h MET 95 N 0.07 1.11 0.16 1.25 4.05 -0.57 -1.17 114.93 119.83 1swx h MET 95 Ca 0.00 -0.07 -0.31 0.00 -0.28 0.00 0.00 59.70 59.04 1swx h MET 95 Cb 0.76 -0.25 0.01 0.00 -0.80 0.00 0.00 31.60 31.32 1swx h MET 95 CO 0.06 0.73 -1.50 -1.49 0.23 0.00 0.00 176.91 174.94 1swx h TRP 96 N 1.14 0.63 -0.55 1.39 4.06 -1.26 -3.33 115.95 118.04 1swx h TRP 96 Ca 0.36 -0.46 0.08 0.00 2.06 0.00 0.00 58.89 60.93 1swx h TRP 96 Cb 0.00 -0.03 -0.06 0.00 -1.00 0.00 0.00 29.16 28.08 1swx h TRP 96 CO -0.01 1.45 0.21 1.25 -3.56 0.00 0.00 178.44 177.78 1swx h LEU 97 N 0.09 0.22 -1.64 -4.49 5.85 -0.47 -2.13 115.31 112.74 1swx h LEU 97 Ca -0.24 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1swx h LEU 97 Cb 2.06 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 43.11 1swx h LEU 97 CO 0.20 0.15 0.17 0.07 -0.34 0.00 0.00 178.44 178.68 1swx h LYS 98 N 0.40 0.40 -0.41 1.25 2.10 -1.34 0.44 116.57 119.40 1swx h LYS 98 Ca 0.27 -0.03 -0.05 0.00 -2.00 0.00 0.00 60.65 58.84 1swx h LYS 98 Cb 0.29 -0.09 -0.02 0.00 -0.90 0.00 0.00 32.23 31.52 1swx h LYS 98 CO -0.26 0.30 0.07 0.00 -2.00 0.00 0.00 179.45 177.56 1swx h ARG 99 N 0.41 0.68 -0.30 0.07 3.08 -1.49 0.72 114.38 117.54 1swx h ARG 99 Ca 0.11 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 1swx h ARG 99 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1swx h ARG 99 CO -0.02 0.71 -0.27 0.78 -1.07 0.00 0.00 179.97 180.11 1swx h GLY 100 N 0.53 0.65 1.08 0.04 0.00 -1.07 -0.68 103.07 103.62 1swx h GLY 100 Ca 0.13 -0.56 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1swx h GLY 100 CO 0.01 0.51 -0.18 1.41 0.00 0.00 0.00 176.54 178.29 1swx h LEU 101 N 0.52 0.97 -0.96 3.11 3.38 -0.85 -2.32 115.31 119.16 1swx h LEU 101 Ca 0.07 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1swx h LEU 101 Cb 0.73 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1swx h LEU 101 CO 0.06 1.14 0.31 -0.09 0.09 0.00 0.00 178.44 179.94 1swx h ARG 102 N 0.80 1.05 -0.29 1.13 9.65 -0.65 -1.12 114.38 124.95 1swx h ARG 102 Ca 0.11 -0.17 0.07 0.00 -1.10 0.00 0.00 59.98 58.89 1swx h ARG 102 Cb 0.74 -0.18 -0.07 0.00 -1.39 0.00 0.00 29.97 29.07 1swx h ARG 102 CO 0.06 0.84 -0.19 0.35 2.80 0.00 0.00 179.97 183.83 1swx h PHE 103 N 1.04 -0.48 -0.79 2.20 3.57 -0.81 -0.55 116.94 121.13 1swx h PHE 103 Ca 0.25 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.77 1swx h PHE 103 Cb 0.17 0.25 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1swx h PHE 103 CO 0.02 -0.26 0.44 0.82 -2.23 0.00 0.00 178.31 177.09 1swx h ILE 104 N -0.16 1.23 0.16 1.41 2.04 -1.07 -1.06 117.51 120.06 1swx h ILE 104 Ca 0.15 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1swx h ILE 104 Cb 0.40 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1swx h ILE 104 CO -0.39 0.26 -0.17 -0.61 0.00 0.00 0.00 178.15 177.24 1swx h GLN 105 N 1.09 -0.36 -0.62 2.37 -0.00 -0.65 -0.87 115.11 116.07 1swx h GLN 105 Ca 0.28 0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 58.86 1swx h GLN 105 Cb 0.02 0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.56 1swx h GLN 105 CO -0.05 -0.24 0.02 0.28 0.00 0.00 0.00 178.83 178.84 1swx h VAL 106 N -0.37 1.27 0.24 2.39 2.07 -1.02 0.47 116.25 121.30 1swx h VAL 106 Ca 0.00 -1.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1swx h VAL 106 Cb 0.35 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1swx h VAL 106 CO -0.05 0.42 -0.12 0.15 0.02 0.00 0.00 177.57 177.99 1swx h PHE 107 N 0.99 -0.30 -0.52 1.57 3.57 -1.07 -0.18 116.94 121.00 1swx h PHE 107 Ca 0.18 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 1swx h PHE 107 Cb 0.55 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1swx h PHE 107 CO 0.04 -0.10 0.20 -0.07 -2.23 0.00 0.00 178.31 176.15 1swx h LEU 108 N -0.44 0.72 -0.90 0.59 3.38 -1.08 -1.34 115.31 116.24 1swx h LEU 108 Ca -0.03 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1swx h LEU 108 Cb 0.34 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1swx h LEU 108 CO 0.05 0.71 0.56 -0.61 0.09 0.00 0.00 178.44 179.24 1swx h GLN 109 N 0.70 1.21 -0.63 1.13 5.75 -0.82 -0.90 115.11 121.55 1swx h GLN 109 Ca 0.17 -0.10 -0.06 0.00 -0.15 0.00 0.00 58.65 58.51 1swx h GLN 109 Cb 0.22 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1swx h GLN 109 CO -0.01 0.83 0.15 1.03 -2.65 0.00 0.00 178.83 178.18 1swx h SER 110 N 1.23 0.95 -0.38 -0.69 0.87 -0.67 -0.49 113.55 114.38 1swx h SER 110 Ca 0.32 -0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1swx h SER 110 Cb -0.08 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.61 1swx h SER 110 CO -0.06 0.94 0.04 0.40 -0.53 0.00 0.00 176.83 177.61 1swx h ILE 111 N 0.92 1.25 -0.08 2.23 2.04 -1.00 -2.34 117.51 120.53 1swx h ILE 111 Ca 0.20 -0.90 -0.06 0.00 1.00 0.00 0.00 64.86 65.09 1swx h ILE 111 Cb 0.36 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1swx h ILE 111 CO 0.00 0.31 -0.23 0.00 0.00 0.00 0.00 178.15 178.23 1swx n ASP 113 N -4.21 0.52 -0.06 0.00 8.00 -0.22 -4.91 116.55 115.67 1swx n ASP 113 Ca -0.01 -1.16 -0.01 0.00 0.71 0.00 0.00 54.79 54.32 1swx n ASP 113 Cb 0.32 -0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1swx n ASP 113 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1swx n GLY 114 N 1.07 0.45 3.73 0.44 0.00 -0.69 -5.00 105.19 105.18 1swx n GLY 114 Ca 0.22 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 1swx n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1swx s GLU 115 N -1.77 4.36 0.11 1.61 2.02 -0.90 -5.00 118.70 119.14 1swx s GLU 115 Ca 0.00 2.05 -0.26 0.00 0.02 0.00 0.00 54.97 56.78 1swx s GLU 115 Cb 0.00 -3.22 0.07 0.00 0.10 0.00 0.00 34.13 31.09 1swx s GLU 115 CO 0.00 -0.32 0.93 -0.98 0.02 0.00 0.00 175.26 174.91 1swx s ARG 116 N 0.36 1.09 -0.34 1.61 1.70 -1.26 -4.70 118.95 117.42 1swx s ARG 116 Ca 0.60 -0.55 -0.24 0.00 -0.47 0.00 0.00 55.73 55.07 1swx s ARG 116 Cb -0.36 0.41 0.01 0.00 -0.57 0.00 0.00 34.95 34.43 1swx s ARG 116 CO 0.35 -0.49 0.81 0.34 -1.08 0.00 0.00 175.30 175.23 1swx s ASP 117 N -2.80 6.63 0.64 -2.89 2.15 -1.26 -4.95 116.67 114.19 1swx s ASP 117 Ca 0.10 0.54 0.41 0.00 0.43 0.00 0.00 52.55 54.02 1swx s ASP 117 Cb -0.01 -2.41 2.23 0.00 -0.30 0.00 0.00 42.92 42.42 1swx s ASP 117 CO -0.01 -0.70 2.32 -0.33 -0.17 0.00 0.00 175.17 176.28 1swx h GLU 118 N 8.31 0.00 0.00 4.34 4.39 -1.99 -0.88 114.58 128.74 1swx h GLU 118 Ca -0.24 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 1swx h GLU 118 Cb 1.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1swx h GLU 118 CO 0.91 0.00 -0.39 -0.91 -1.16 0.00 0.00 179.01 177.47 1swx h ASN 119 N 0.00 0.00 -2.06 1.42 2.35 -2.04 -3.38 115.58 111.87 1swx h ASN 119 Ca -0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 1swx h ASN 119 Cb 0.04 0.00 -0.40 0.00 0.05 0.00 0.00 38.32 38.01 1swx h ASN 119 CO 0.00 0.10 -1.03 1.41 -1.65 0.00 0.00 177.43 176.26 1swx n HIS 120 N -3.00 0.88 0.32 1.19 8.25 -0.37 -4.99 115.22 117.50 1swx n HIS 120 Ca 0.02 -3.79 0.16 0.00 -0.26 0.00 0.00 57.72 53.85 1swx n HIS 120 Cb 0.58 -0.42 0.67 0.00 1.12 0.00 0.00 29.99 31.93 1swx n HIS 120 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1swx h PRO 121 N 3.48 0.00 -0.66 -0.41 0.13 -1.65 -2.20 132.00 130.69 1swx h PRO 121 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1swx h PRO 121 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1swx h PRO 121 CO 0.57 0.00 0.00 -1.71 -0.23 0.00 0.00 178.00 176.63 1swx n ASN 122 N -2.76 3.69 -4.97 1.44 5.15 -1.26 -4.90 115.26 111.65 1swx n ASN 122 Ca 0.01 -2.06 -0.21 0.00 -0.60 0.00 0.00 54.58 51.71 1swx n ASN 122 Cb 0.25 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 1swx n ASN 122 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1swx s LEU 123 N -1.11 3.87 -0.11 1.20 1.43 -0.83 -0.40 118.68 122.73 1swx s LEU 123 Ca 0.45 0.12 0.14 0.00 -1.03 0.00 0.00 54.13 53.81 1swx s LEU 123 Cb 0.24 -3.00 0.30 0.00 0.03 0.00 0.00 46.19 43.75 1swx s LEU 123 CO 0.29 -0.50 1.15 2.30 0.23 0.00 0.00 176.35 179.82 1swx n ILE 124 N -1.83 1.36 -0.11 -0.59 -5.35 -1.26 -4.60 119.36 106.98 1swx n ILE 124 Ca -0.01 -1.96 -0.10 0.00 -0.27 0.00 0.00 62.75 60.41 1swx n ILE 124 Cb 0.58 0.08 -0.02 0.00 -1.74 0.00 0.00 39.64 38.53 1swx n ILE 124 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1swx h ARG 125 N 0.45 0.56 -0.95 6.28 3.08 -1.91 -1.12 114.38 120.77 1swx h ARG 125 Ca -0.03 -0.15 0.04 0.00 0.07 0.00 0.00 59.98 59.91 1swx h ARG 125 Cb 1.21 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.13 1swx h ARG 125 CO 0.02 0.63 0.61 -0.39 -1.07 0.00 0.00 179.97 179.77 1swx h VAL 126 N 0.39 1.13 -0.24 2.04 -1.51 -1.96 -0.58 116.25 115.52 1swx h VAL 126 Ca 0.10 -0.40 -0.15 0.00 -1.23 0.00 0.00 66.70 65.02 1swx h VAL 126 Cb 0.34 -0.13 0.00 0.00 -2.13 0.00 0.00 31.29 29.37 1swx h VAL 126 CO 0.01 0.21 -0.45 0.78 -1.23 0.00 0.00 177.57 176.89 1swx h ASN 127 N 1.16 0.82 -0.53 4.19 2.35 -1.83 -1.36 115.58 120.38 1swx h ASN 127 Ca 0.39 -0.54 -0.09 0.00 -0.55 0.00 0.00 56.30 55.51 1swx h ASN 127 Cb 0.06 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 1swx h ASN 127 CO -0.14 1.20 -0.03 0.00 -1.65 0.00 0.00 177.43 176.81 1swx h ALA 128 N 0.64 0.72 -0.29 -0.83 0.00 -0.97 -1.92 119.26 116.61 1swx h ALA 128 Ca 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1swx h ALA 128 Cb 1.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1swx h ALA 128 CO 0.10 0.56 0.14 1.15 0.00 0.00 0.00 179.25 181.21 1swx h THR 129 N 0.83 1.14 -0.48 0.00 2.02 -1.06 -0.42 112.91 114.94 1swx h THR 129 Ca 0.15 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.96 1swx h THR 129 Cb 0.58 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 1swx h THR 129 CO 0.03 0.15 0.24 0.50 0.37 0.00 0.00 175.52 176.81 1swx h LYS 130 N 0.33 0.46 -0.63 6.66 3.64 -1.18 -0.08 116.57 125.76 1swx h LYS 130 Ca 0.10 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1swx h LYS 130 Cb 0.10 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1swx h LYS 130 CO -0.01 0.31 0.06 0.00 -2.27 0.00 0.00 179.45 177.54 1swx h ALA 131 N 1.25 0.85 -0.20 5.00 0.00 -1.10 -0.61 119.26 124.44 1swx h ALA 131 Ca 0.21 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1swx h ALA 131 Cb 0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1swx h ALA 131 CO -0.14 0.64 0.06 -0.92 0.00 0.00 0.00 179.25 178.88 1swx h TYR 132 N 0.98 0.33 -0.58 0.00 3.20 -0.70 -1.12 116.97 119.09 1swx h TYR 132 Ca 0.19 -0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.10 1swx h TYR 132 Cb 0.49 -0.10 -0.07 0.00 1.54 0.00 0.00 36.73 38.59 1swx h TYR 132 CO 0.04 0.42 0.22 0.93 -1.64 0.00 0.00 178.16 178.13 1swx h GLU 133 N 0.15 0.40 0.00 1.82 5.08 -0.75 0.14 114.58 121.42 1swx h GLU 133 Ca 0.06 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 1swx h GLU 133 Cb 0.25 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1swx h GLU 133 CO -0.00 0.26 -0.42 0.52 -1.00 0.00 0.00 179.01 178.38 1swx h MET 134 N 0.41 0.00 0.00 2.33 2.86 -0.87 -3.39 114.93 116.27 1swx h MET 134 Ca 0.29 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.62 1swx h MET 134 Cb 0.33 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.94 1swx h MET 134 CO -0.28 0.42 -2.09 0.00 1.06 0.00 0.00 176.91 176.02 1swx n ALA 135 N -2.24 1.63 0.00 6.32 0.00 -0.44 -4.94 120.51 120.84 1swx n ALA 135 Ca 0.01 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.65 1swx n ALA 135 Cb 0.63 0.13 0.00 0.00 0.00 0.00 0.00 19.45 20.20 1swx n ALA 135 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1swx n LEU 136 N -3.34 1.00 -0.36 0.00 4.77 -0.11 -4.79 117.00 114.17 1swx n LEU 136 Ca -0.35 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.67 1swx n LEU 136 Cb 0.83 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 42.12 1swx n LEU 136 CO 0.13 0.17 1.24 0.50 -1.33 0.00 0.00 177.39 178.10 1swx h LYS 137 N 0.00 1.05 0.00 3.23 3.64 -1.35 -0.50 116.57 122.63 1swx h LYS 137 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1swx h LYS 137 Cb 0.77 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1swx h LYS 137 CO 0.00 0.69 0.00 0.87 -2.27 0.00 0.00 179.45 178.74 1swx h LYS 138 N 1.08 0.00 -0.34 1.90 1.57 -1.84 -2.70 116.57 116.24 1swx h LYS 138 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 1swx h LYS 138 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1swx h LYS 138 CO -0.22 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.32 1swx n TYR 139 N -2.64 0.48 -5.00 -1.35 4.01 -0.20 -4.82 117.16 107.64 1swx n TYR 139 Ca -0.01 -0.52 -0.32 0.00 -0.16 0.00 0.00 57.90 56.88 1swx n TYR 139 Cb 0.10 -0.04 -0.15 0.00 -0.31 0.00 0.00 39.34 38.94 1swx n TYR 139 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1swx s HIS 140 N -1.10 2.64 1.17 -0.72 3.76 -1.02 -1.37 115.29 118.64 1swx s HIS 140 Ca 0.24 -0.52 -0.19 0.00 -0.15 0.00 0.00 55.06 54.44 1swx s HIS 140 Cb 0.13 -1.68 0.28 0.00 1.11 0.00 0.00 32.58 32.42 1swx s HIS 140 CO 0.15 -0.08 1.16 0.20 -0.85 0.00 0.00 174.74 175.32 1swx s GLY 141 N -0.19 1.64 0.25 -2.22 0.00 -1.20 -4.72 107.32 100.87 1swx s GLY 141 Ca -0.01 -1.08 0.01 0.00 0.00 0.00 0.00 44.72 43.65 1swx s GLY 141 CO 0.03 -0.19 1.62 0.11 0.00 0.00 0.00 173.10 174.68 1swx h TRP 142 N -2.45 0.53 0.04 1.90 5.08 -1.99 0.47 115.95 119.53 1swx h TRP 142 Ca -0.44 -0.15 -0.00 0.00 1.08 0.00 0.00 58.89 59.38 1swx h TRP 142 Cb 1.27 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 27.32 1swx h TRP 142 CO -2.19 0.79 -0.02 0.82 -1.28 0.00 0.00 178.44 176.56 1swx h ILE 143 N 0.37 1.20 -0.66 0.12 2.04 -1.93 -2.45 117.51 116.19 1swx h ILE 143 Ca 0.03 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 1swx h ILE 143 Cb 0.89 1.70 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 1swx h ILE 143 CO 0.07 0.19 0.13 0.58 0.00 0.00 0.00 178.15 179.13 1swx h VAL 144 N -0.38 1.26 -0.91 1.67 2.07 -1.80 -2.26 116.25 115.89 1swx h VAL 144 Ca -0.00 -0.98 0.14 0.00 0.82 0.00 0.00 66.70 66.67 1swx h VAL 144 Cb 0.35 0.60 -0.09 0.00 -1.52 0.00 0.00 31.29 30.63 1swx h VAL 144 CO 0.01 0.37 0.53 1.56 0.02 0.00 0.00 177.57 180.06 1swx h GLN 145 N 1.01 0.76 -0.45 1.57 4.20 -0.84 -1.04 115.11 120.32 1swx h GLN 145 Ca 0.21 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 1swx h GLN 145 Cb 0.39 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1swx h GLN 145 CO 0.01 0.51 -0.07 0.87 -0.67 0.00 0.00 178.83 179.47 1swx h LYS 146 N 0.79 0.78 0.14 1.46 1.57 -0.92 0.18 116.57 120.57 1swx h LYS 146 Ca 0.48 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1swx h LYS 146 Cb 0.59 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1swx h LYS 146 CO -0.32 0.84 -0.07 0.82 -0.57 0.00 0.00 179.45 180.15 1swx h ILE 147 N 0.72 0.89 -0.33 1.86 2.04 -0.91 -1.84 117.51 119.94 1swx h ILE 147 Ca 0.13 -0.12 -0.14 0.00 1.00 0.00 0.00 64.86 65.73 1swx h ILE 147 Cb 0.54 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1swx h ILE 147 CO 0.03 0.03 -0.35 -0.26 0.00 0.00 0.00 178.15 177.60 1swx h PHE 148 N -0.24 1.00 -0.21 1.37 -1.00 -1.05 -2.75 116.94 114.06 1swx h PHE 148 Ca -0.02 -0.30 0.04 0.00 2.81 0.00 0.00 57.97 60.50 1swx h PHE 148 Cb 0.19 -0.21 -0.04 0.00 3.61 0.00 0.00 35.95 39.50 1swx h PHE 148 CO -0.05 1.10 -0.07 0.37 -1.61 0.00 0.00 178.31 178.05 1swx h GLN 149 N 0.61 -0.02 -0.84 1.51 4.15 -0.66 -0.99 115.11 118.86 1swx h GLN 149 Ca 0.05 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.63 1swx h GLN 149 Cb 0.94 0.00 -0.10 0.00 0.21 0.00 0.00 27.48 28.54 1swx h GLN 149 CO 0.09 -0.01 0.42 0.00 -1.93 0.00 0.00 178.83 177.39 1swx h ALA 150 N 1.18 1.27 -0.43 3.38 0.00 -1.12 -1.19 119.26 122.35 1swx h ALA 150 Ca 0.10 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 1swx h ALA 150 Cb 0.18 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1swx h ALA 150 CO -0.23 -0.13 -0.22 0.00 0.00 0.00 0.00 179.25 178.67 1swx h ALA 151 N 1.58 0.60 -0.35 0.00 0.00 -1.13 -2.51 119.26 117.45 1swx h ALA 151 Ca 0.47 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1swx h ALA 151 Cb 0.70 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1swx h ALA 151 CO -0.39 0.59 -0.25 -0.07 0.00 0.00 0.00 179.25 179.13 1swx h LEU 152 N 0.74 0.72 -1.00 0.00 3.38 -0.75 -2.61 115.31 115.79 1swx h LEU 152 Ca 0.09 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1swx h LEU 152 Cb 0.80 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1swx h LEU 152 CO 0.07 0.94 -0.07 0.22 0.09 0.00 0.00 178.44 179.68 1swx h TYR 153 N 0.61 0.68 -0.20 1.13 3.20 -1.21 -2.83 116.97 118.35 1swx h TYR 153 Ca 0.08 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1swx h TYR 153 Cb 0.75 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1swx h TYR 153 CO 0.04 0.70 0.00 0.00 -1.64 0.00 0.00 178.16 177.25 1swx n ALA 154 N -2.48 2.71 -1.51 1.82 0.00 -0.95 -4.95 120.51 115.16 1swx n ALA 154 Ca 0.01 -0.50 -0.40 0.00 0.00 0.00 0.00 53.44 52.56 1swx n ALA 154 Cb 0.32 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.78 1swx n ALA 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1swx n ALA 155 N 0.18 -0.82 -1.16 0.00 0.00 -1.07 -4.97 120.51 112.67 1swx n ALA 155 Ca 0.08 0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.31 1swx n ALA 155 Cb 0.38 -1.90 0.16 0.00 0.00 0.00 0.00 19.45 18.09 1swx n ALA 155 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swx s PRO 156 N -2.02 0.88 0.52 0.00 0.04 -1.26 -4.91 135.00 128.26 1swx s PRO 156 Ca 0.67 0.72 -0.22 0.00 0.04 0.00 0.00 61.00 62.21 1swx s PRO 156 Cb -0.50 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 1swx s PRO 156 CO 0.55 -2.47 1.23 0.66 0.04 0.00 0.00 177.00 177.01 1swx n TYR 157 N -4.03 1.86 -0.19 0.56 4.01 -1.26 -4.26 117.16 113.86 1swx n TYR 157 Ca 0.06 0.46 -0.04 0.00 -0.16 0.00 0.00 57.90 58.22 1swx n TYR 157 Cb 0.56 -2.31 0.06 0.00 -0.31 0.00 0.00 39.34 37.34 1swx n TYR 157 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1swx h LYS 158 N 1.37 0.55 -0.64 -0.72 3.64 -0.98 -0.75 116.57 119.04 1swx h LYS 158 Ca -0.49 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 58.80 1swx h LYS 158 Cb 1.32 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 1swx h LYS 158 CO 0.56 0.36 0.19 0.66 -2.27 0.00 0.00 179.45 178.95 1swx h SER 159 N 0.56 0.91 -0.27 4.20 4.64 -1.92 -1.12 113.55 120.56 1swx h SER 159 Ca 0.24 -0.16 -0.15 0.00 -0.47 0.00 0.00 61.79 61.26 1swx h SER 159 Cb 0.14 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 1swx h SER 159 CO -0.16 0.86 -0.37 0.44 -0.87 0.00 0.00 176.83 176.73 1swx h ASP 160 N 0.94 0.85 -0.19 4.97 3.32 -1.80 -1.20 116.42 123.31 1swx h ASP 160 Ca 0.21 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.89 1swx h ASP 160 Cb 0.28 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1swx h ASP 160 CO -0.01 1.12 0.11 0.15 -1.72 0.00 0.00 179.24 178.90 1swx h PHE 161 N 0.67 0.20 -0.24 4.55 3.57 -0.78 -0.06 116.94 124.85 1swx h PHE 161 Ca 0.06 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.45 1swx h PHE 161 Cb 0.92 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.60 1swx h PHE 161 CO 0.05 0.12 -0.33 -0.07 -2.23 0.00 0.00 178.31 175.86 1swx h LEU 162 N 0.23 0.70 -0.63 0.59 3.38 -1.12 -2.03 115.31 116.43 1swx h LEU 162 Ca 0.07 -0.51 0.12 0.00 0.09 0.00 0.00 57.88 57.66 1swx h LEU 162 Cb -0.00 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 40.45 1swx h LEU 162 CO -0.03 1.07 0.13 0.50 0.09 0.00 0.00 178.44 180.19 1swx h LYS 163 N 0.35 0.24 -0.49 1.13 3.64 -1.15 -1.95 116.57 118.34 1swx h LYS 163 Ca 0.03 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.29 1swx h LYS 163 Cb 0.91 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1swx h LYS 163 CO 0.08 0.16 -0.08 0.00 -2.27 0.00 0.00 179.45 177.34 1swx h ALA 164 N 1.51 0.66 0.00 5.00 0.00 -0.65 -1.54 119.26 124.25 1swx h ALA 164 Ca 0.34 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1swx h ALA 164 Cb 0.52 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1swx h ALA 164 CO -0.44 0.54 -0.15 -0.07 0.00 0.00 0.00 179.25 179.14 1swx h LEU 165 N 0.76 0.00 -3.31 0.00 3.38 -1.15 -3.01 115.31 111.98 1swx h LEU 165 Ca 0.13 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 1swx h LEU 165 Cb 0.62 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.26 1swx h LEU 165 CO 0.04 0.15 0.23 -1.20 0.09 0.00 0.00 178.44 177.74 1swx n SER 166 N -3.68 4.33 -2.41 -0.43 7.64 -0.60 -5.11 113.62 113.36 1swx n SER 166 Ca -0.02 -2.99 0.00 0.00 1.01 0.00 0.00 58.87 56.87 1swx n SER 166 Cb 0.26 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1swx n SER 166 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1swx n LYS 167 N -0.06 0.00 -0.95 1.43 -0.00 -1.11 -5.02 118.16 112.45 1swx n LYS 167 Ca 0.34 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.36 1swx n LYS 167 Cb 1.21 -1.07 0.22 0.00 -0.00 0.00 0.00 35.03 35.39 1swx n LYS 167 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1swx s THR 172 N 1.36 1.87 0.26 0.58 -4.23 -1.26 -5.12 115.64 109.10 1swx s THR 172 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 1swx s THR 172 Cb 0.00 -2.36 0.24 0.00 1.34 0.00 0.00 72.50 71.71 1swx s THR 172 CO 0.00 0.00 1.91 -0.33 -0.54 0.00 0.00 174.62 175.66 1swx h GLU 173 N -2.34 1.18 -0.27 3.99 5.08 -1.99 -1.12 114.58 119.12 1swx h GLU 173 Ca -0.54 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 57.56 1swx h GLU 173 Cb 1.33 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1swx h GLU 173 CO 0.50 0.83 -0.46 1.49 -1.00 0.00 0.00 179.01 180.37 1swx h GLU 174 N 1.20 0.70 -0.34 2.33 4.57 -2.02 -1.45 114.58 119.57 1swx h GLU 174 Ca 0.31 -0.39 -0.07 0.00 -1.18 0.00 0.00 59.36 58.03 1swx h GLU 174 Cb -0.05 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 1swx h GLU 174 CO -0.06 1.01 -0.07 0.93 -1.18 0.00 0.00 179.01 179.64 1swx h GLU 175 N 0.56 0.56 -0.34 1.92 5.08 -1.92 -0.33 114.58 120.10 1swx h GLU 175 Ca 0.03 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 1swx h GLU 175 Cb 1.01 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1swx h GLU 175 CO 0.10 0.64 -0.05 0.00 -1.00 0.00 0.00 179.01 178.69 1swx h LEU 177 N 0.44 0.90 -0.81 0.00 3.38 -0.79 -1.45 115.31 116.98 1swx h LEU 177 Ca 0.09 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1swx h LEU 177 Cb 0.54 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 1swx h LEU 177 CO 0.03 0.77 0.47 -0.33 0.09 0.00 0.00 178.44 179.47 1swx h GLU 178 N 0.99 1.11 -0.65 1.13 5.08 -0.87 -0.62 114.58 120.75 1swx h GLU 178 Ca 0.24 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1swx h GLU 178 Cb 0.12 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1swx h GLU 178 CO -0.03 0.80 0.05 0.87 -1.00 0.00 0.00 179.01 179.71 1swx h LYS 179 N 1.12 1.11 -0.65 2.33 1.57 -0.99 -1.80 116.57 119.26 1swx h LYS 179 Ca 0.29 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1swx h LYS 179 Cb -0.01 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 1swx h LYS 179 CO -0.05 1.04 0.14 0.82 -0.57 0.00 0.00 179.45 180.83 1swx h ILE 180 N 1.02 1.26 -0.57 1.86 2.04 -0.81 -1.95 117.51 120.36 1swx h ILE 180 Ca 0.19 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1swx h ILE 180 Cb 0.51 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 1swx h ILE 180 CO 0.02 0.36 0.28 0.03 0.00 0.00 0.00 178.15 178.85 1swx h ARG 181 N 0.97 0.79 0.06 2.37 3.08 -0.79 -0.33 114.38 120.53 1swx h ARG 181 Ca 0.20 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 1swx h ARG 181 Cb 0.39 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1swx h ARG 181 CO 0.01 0.61 -0.03 1.25 -1.07 0.00 0.00 179.97 180.73 1swx h LEU 182 N 0.79 -0.07 -0.95 3.04 5.85 -1.00 -2.78 115.31 120.19 1swx h LEU 182 Ca 0.20 -0.27 0.20 0.00 0.84 0.00 0.00 57.88 58.85 1swx h LEU 182 Cb 0.07 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.00 1swx h LEU 182 CO -0.03 0.23 0.52 0.15 -0.34 0.00 0.00 178.44 178.98 1swx h PHE 183 N -0.38 0.91 0.00 1.25 3.57 -1.03 -2.13 116.94 119.12 1swx h PHE 183 Ca -0.01 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 1swx h PHE 183 Cb 0.34 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.82 1swx h PHE 183 CO 0.02 0.13 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.08 1swx h LEU 184 N 0.62 0.00 0.83 0.59 3.38 -0.78 -2.92 115.31 117.03 1swx h LEU 184 Ca 0.56 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.49 1swx h LEU 184 Cb 0.94 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.70 1swx h LEU 184 CO -0.43 0.09 -0.40 0.58 0.09 0.00 0.00 178.44 178.38 1swx h VAL 185 N 0.00 0.00 0.00 1.22 2.07 -1.34 0.42 116.25 118.62 1swx h VAL 185 Ca -0.00 -0.11 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 1swx h VAL 185 Cb 0.38 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 1swx h VAL 185 CO 0.01 0.00 -0.53 0.78 0.02 0.00 0.00 177.57 177.85 1swx h ASN 186 N -1.22 0.00 0.08 0.57 2.35 -1.75 -2.73 115.58 112.88 1swx h ASN 186 Ca -0.11 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1swx h ASN 186 Cb 0.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.23 1swx h ASN 186 CO 0.19 0.53 -0.04 0.22 -1.65 0.00 0.00 177.43 176.68 1swx h TYR 187 N 0.00 -0.10 -0.43 1.19 3.20 -1.49 -1.32 116.97 118.03 1swx h TYR 187 Ca -0.01 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1swx h TYR 187 Cb 1.09 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 1swx h TYR 187 CO 0.00 0.21 0.25 1.15 -1.64 0.00 0.00 178.16 178.13 1swx h THR 188 N -0.41 1.14 -0.94 1.81 2.02 -0.93 -1.79 112.91 113.81 1swx h THR 188 Ca -0.01 -0.34 0.04 0.00 0.77 0.00 0.00 66.41 66.87 1swx h THR 188 Cb 0.35 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 1swx h THR 188 CO 0.02 0.15 0.61 0.00 0.37 0.00 0.00 175.52 176.67 1swx h ALA 189 N 1.11 1.27 -0.16 6.16 0.00 -1.41 -0.52 119.26 125.70 1swx h ALA 189 Ca 0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1swx h ALA 189 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1swx h ALA 189 CO -0.03 0.46 -0.02 1.15 0.00 0.00 0.00 179.25 180.81 1swx h THR 190 N 1.16 1.27 -0.62 0.00 2.02 -0.83 -0.76 112.91 115.15 1swx h THR 190 Ca 0.39 -0.91 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 1swx h THR 190 Cb 0.05 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1swx h THR 190 CO -0.14 0.27 0.24 0.40 0.37 0.00 0.00 175.52 176.67 1swx h ILE 191 N 0.02 1.23 -0.54 3.11 2.04 -1.05 -1.57 117.51 120.75 1swx h ILE 191 Ca 0.04 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.11 1swx h ILE 191 Cb 0.42 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1swx h ILE 191 CO 0.01 0.29 0.10 0.44 0.00 0.00 0.00 178.15 179.00 1swx h ASP 192 N 0.87 0.80 -0.65 1.72 3.32 -0.92 -0.74 116.42 120.82 1swx h ASP 192 Ca 0.21 -0.16 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1swx h ASP 192 Cb 0.21 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1swx h ASP 192 CO -0.02 0.80 0.12 0.58 -1.72 0.00 0.00 179.24 179.00 1swx h VAL 193 N 0.81 1.26 -0.42 -1.35 2.07 -0.79 -0.95 116.25 116.89 1swx h VAL 193 Ca 0.17 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1swx h VAL 193 Cb 0.34 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1swx h VAL 193 CO 0.00 0.38 0.21 0.40 0.02 0.00 0.00 177.57 178.59 1swx h ILE 194 N 0.98 1.16 -0.55 4.57 2.04 -0.45 -0.90 117.51 124.36 1swx h ILE 194 Ca 0.20 -0.45 0.03 0.00 1.00 0.00 0.00 64.86 65.64 1swx h ILE 194 Cb 0.42 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1swx h ILE 194 CO 0.01 0.17 0.33 1.88 0.00 0.00 0.00 178.15 180.54 1swx h TYR 195 N 0.53 0.61 -0.65 1.37 -1.99 -1.07 -0.75 116.97 115.02 1swx h TYR 195 Ca 0.14 0.02 0.04 0.00 2.00 0.00 0.00 58.73 60.93 1swx h TYR 195 Cb 0.08 -0.19 -0.04 0.00 2.00 0.00 0.00 36.73 38.58 1swx h TYR 195 CO -0.02 0.34 0.39 1.49 -0.00 0.00 0.00 178.16 180.36 1swx h GLU 196 N 0.64 0.73 -0.38 4.88 4.81 -0.89 -2.14 114.58 122.23 1swx h GLU 196 Ca 0.23 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1swx h GLU 196 Cb 0.04 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1swx h GLU 196 CO -0.11 0.49 0.19 1.98 -0.73 0.00 0.00 179.01 180.83 1swx h MET 197 N 0.76 0.55 -0.71 1.92 4.05 -0.69 -0.86 114.93 119.94 1swx h MET 197 Ca 0.27 -0.08 0.04 0.00 -0.28 0.00 0.00 59.70 59.65 1swx h MET 197 Cb 0.06 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 30.71 1swx h MET 197 CO -0.12 0.48 0.43 1.88 0.23 0.00 0.00 176.91 179.81 1swx h TYR 198 N 0.48 0.80 -0.18 1.39 -1.99 -0.68 0.34 116.97 117.13 1swx h TYR 198 Ca 0.13 0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.84 1swx h TYR 198 Cb 0.11 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 1swx h TYR 198 CO -0.02 0.43 -0.05 1.15 -0.00 0.00 0.00 178.16 179.67 1swx h THR 199 N 0.82 1.29 -0.70 -2.88 2.02 -1.19 -0.18 112.91 112.09 1swx h THR 199 Ca 0.30 -1.04 0.00 0.00 0.77 0.00 0.00 66.41 66.44 1swx h THR 199 Cb 0.09 1.62 -0.03 0.00 -1.74 0.00 0.00 68.15 68.09 1swx h THR 199 CO -0.14 0.31 0.44 -0.61 0.37 0.00 0.00 175.52 175.89 1swx h GLN 200 N 0.05 0.94 -0.00 6.66 -0.00 -0.80 -2.12 115.11 119.84 1swx h GLN 200 Ca 0.04 -0.08 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 1swx h GLN 200 Cb 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 27.48 27.78 1swx h GLN 200 CO 0.02 0.65 0.00 -1.33 0.00 0.00 0.00 178.83 178.17 1swx n MET 201 N -4.56 1.10 -3.87 1.69 2.81 0.08 -4.92 117.12 109.45 1swx n MET 201 Ca 0.06 -0.15 -0.27 0.00 -1.81 0.00 0.00 57.70 55.53 1swx n MET 201 Cb 0.04 -1.50 0.02 0.00 -0.71 0.00 0.00 33.22 31.08 1swx n MET 201 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1swx n ASN 202 N -0.82 -3.04 -0.67 7.83 3.02 -0.80 -4.88 115.26 115.91 1swx n ASN 202 Ca 0.23 -0.83 0.11 0.00 -0.03 0.00 0.00 54.58 54.06 1swx n ASN 202 Cb 0.15 -3.78 0.04 0.00 -0.61 0.00 0.00 39.78 35.58 1swx n ASN 202 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swx n ALA 203 N -4.50 2.98 -2.60 5.41 0.00 -0.14 -4.81 120.51 116.84 1swx n ALA 203 Ca -0.11 -0.65 -0.40 0.00 0.00 0.00 0.00 53.44 52.29 1swx n ALA 203 Cb 0.59 -0.74 -0.05 0.00 0.00 0.00 0.00 19.45 19.25 1swx n ALA 203 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1swx s GLU 204 N -2.10 4.45 0.21 0.00 2.56 -1.23 -4.80 118.70 117.80 1swx s GLU 204 Ca 0.21 0.96 0.11 0.00 0.00 0.00 0.00 54.97 56.25 1swx s GLU 204 Cb 0.18 -3.41 -0.04 0.00 2.00 0.00 0.00 34.13 32.85 1swx s GLU 204 CO 0.41 0.15 -0.18 -0.51 -0.56 0.00 0.00 175.26 174.57 1swx s LEU 205 N 0.47 2.66 0.00 2.70 1.43 -1.26 -5.07 118.68 119.62 1swx s LEU 205 Ca 0.38 -0.80 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 1swx s LEU 205 Cb -0.19 -1.33 0.14 0.00 0.03 0.00 0.00 46.19 44.83 1swx s LEU 205 CO 0.20 0.10 1.07 0.59 0.23 0.00 0.00 176.35 178.54 1swx n ASN 206 N -0.02 2.33 -4.74 2.29 4.13 -1.26 -5.05 115.26 112.94 1swx n ASN 206 Ca -0.10 -1.91 -0.36 0.00 1.68 0.00 0.00 54.58 53.88 1swx n ASN 206 Cb 0.57 -0.10 0.05 0.00 -1.54 0.00 0.00 39.78 38.76 1swx n ASN 206 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1swx s TYR 207 N -0.94 2.24 0.12 3.10 -0.85 -1.26 -4.87 117.35 114.89 1swx s TYR 207 Ca 0.11 1.51 0.03 0.00 -0.52 0.00 0.00 57.07 58.20 1swx s TYR 207 Cb 0.06 -3.55 -0.04 0.00 0.38 0.00 0.00 41.96 38.81 1swx s TYR 207 CO 0.08 -2.50 0.18 0.15 -1.52 0.00 0.00 175.55 171.93 1swx s LYS 208 N -3.43 3.17 0.00 -3.49 1.02 -1.26 -4.81 119.74 110.94 1swx s LYS 208 Ca 0.79 -0.66 0.00 0.00 0.02 0.00 0.00 55.97 56.11 1swx s LYS 208 Cb -0.33 -2.84 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1swx s LYS 208 CO 0.37 0.54 0.39 1.33 -0.92 0.00 0.00 175.35 177.06