#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dxe h VAL 5 N 0.00 1.06 -3.85 2.12 2.07 -2.00 -3.43 116.25 112.21 1dxe h VAL 5 Ca 0.00 -0.16 -0.68 0.00 0.82 0.00 0.00 66.70 66.67 1dxe h VAL 5 Cb 0.00 1.12 -0.20 0.00 -1.52 0.00 0.00 31.29 30.69 1dxe h VAL 5 CO 0.00 0.05 -0.82 -0.36 0.02 0.00 0.00 177.57 176.46 1dxe s PHE 6 N -5.93 2.50 0.66 1.57 0.08 -1.26 -4.13 117.98 111.47 1dxe s PHE 6 Ca -0.13 -0.28 -0.13 0.00 0.12 0.00 0.00 56.93 56.50 1dxe s PHE 6 Cb 0.06 -1.37 -0.00 0.00 -0.57 0.00 0.00 43.02 41.13 1dxe s PHE 6 CO 0.67 0.33 1.07 -1.25 -0.10 0.00 0.00 175.22 175.93 1dxe s PRO 7 N -1.88 2.98 -0.56 0.24 0.04 -1.26 -5.08 135.00 129.48 1dxe s PRO 7 Ca 0.16 1.14 -0.28 0.00 0.04 0.00 0.00 61.00 62.07 1dxe s PRO 7 Cb -0.10 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1dxe s PRO 7 CO 0.08 -1.08 1.53 1.21 0.04 0.00 0.00 177.00 178.78 1dxe s ASN 8 N -3.17 5.94 0.27 6.66 3.84 -1.26 -4.87 114.94 122.35 1dxe s ASN 8 Ca 0.62 0.35 -0.02 0.00 0.21 0.00 0.00 52.86 54.02 1dxe s ASN 8 Cb -0.16 -2.54 0.37 0.00 -0.55 0.00 0.00 41.25 38.37 1dxe s ASN 8 CO 0.46 -1.85 1.80 0.11 -2.79 0.00 0.00 177.10 174.83 1dxe h LYS 9 N 11.92 0.82 -0.18 0.43 1.57 -1.94 -2.63 116.57 126.55 1dxe h LYS 9 Ca -0.27 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1dxe h LYS 9 Cb 1.11 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1dxe h LYS 9 CO 1.18 0.77 0.07 0.35 -0.57 0.00 0.00 179.45 181.25 1dxe h PHE 10 N 0.78 0.27 -0.90 -1.35 3.57 -1.97 -0.22 116.94 117.12 1dxe h PHE 10 Ca 0.16 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.72 1dxe h PHE 10 Cb 0.36 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.95 1dxe h PHE 10 CO 0.02 0.33 0.56 -0.22 -2.23 0.00 0.00 178.31 176.77 1dxe h LYS 11 N 0.14 0.96 -0.25 1.11 3.64 -1.91 -0.93 116.57 119.33 1dxe h LYS 11 Ca 0.06 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1dxe h LYS 11 Cb 0.17 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1dxe h LYS 11 CO -0.01 0.63 -0.28 0.00 -2.27 0.00 0.00 179.45 177.53 1dxe h ALA 12 N 1.44 0.37 -0.75 5.00 0.00 -1.22 -2.43 119.26 121.67 1dxe h ALA 12 Ca 0.41 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1dxe h ALA 12 Cb 0.25 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1dxe h ALA 12 CO -0.20 0.37 0.46 0.00 0.00 0.00 0.00 179.25 179.88 1dxe h ALA 13 N 0.67 1.01 -0.10 0.00 0.00 -0.50 0.23 119.26 120.56 1dxe h ALA 13 Ca 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1dxe h ALA 13 Cb 0.85 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1dxe h ALA 13 CO 0.07 0.22 0.07 -0.07 0.00 0.00 0.00 179.25 179.53 1dxe h LEU 14 N 0.88 0.12 -1.57 0.00 3.38 -1.12 -2.04 115.31 114.96 1dxe h LEU 14 Ca 0.32 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1dxe h LEU 14 Cb 0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1dxe h LEU 14 CO -0.14 0.08 0.19 0.00 0.09 0.00 0.00 178.44 178.66 1dxe h ALA 15 N 1.04 1.67 0.00 1.53 0.00 -0.88 -0.47 119.26 122.15 1dxe h ALA 15 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dxe h ALA 15 Cb -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1dxe h ALA 15 CO -0.01 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.52 1dxe n ALA 16 N -2.48 2.41 -1.93 0.00 0.00 0.01 -4.86 120.51 113.66 1dxe n ALA 16 Ca 0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.19 1dxe n ALA 16 Cb 0.10 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 1dxe n ALA 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1dxe n LYS 17 N -0.87 -1.18 -2.95 0.00 5.02 -0.18 -4.99 118.16 113.01 1dxe n LYS 17 Ca 0.14 0.89 -0.40 0.00 -2.02 0.00 0.00 58.31 56.92 1dxe n LYS 17 Cb 0.07 -5.17 -0.06 0.00 -0.02 0.00 0.00 35.03 29.85 1dxe n LYS 17 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1dxe s GLN 18 N -4.14 4.60 0.20 1.97 -0.21 -0.81 -4.99 119.66 116.27 1dxe s GLN 18 Ca 0.00 1.19 -0.31 0.00 0.02 0.00 0.00 55.36 56.26 1dxe s GLN 18 Cb 0.00 -3.27 -0.10 0.00 1.00 0.00 0.00 33.01 30.64 1dxe s GLN 18 CO 0.00 0.54 1.52 0.08 -2.12 0.00 0.00 175.29 175.31 1dxe s VAL 19 N -1.05 2.62 -0.21 1.09 1.01 -1.26 -4.63 120.40 117.98 1dxe s VAL 19 Ca 0.37 0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.83 1dxe s VAL 19 Cb -0.23 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 32.89 1dxe s VAL 19 CO 0.27 0.05 -0.11 -1.10 0.00 0.00 0.00 175.10 174.21 1dxe s GLN 20 N 0.58 2.08 -0.20 2.72 -1.52 0.83 -4.99 119.66 119.15 1dxe s GLN 20 Ca 0.66 -0.90 -0.20 0.00 -1.95 0.00 0.00 55.36 52.97 1dxe s GLN 20 Cb -0.43 -2.48 -0.03 0.00 -0.22 0.00 0.00 33.01 29.85 1dxe s GLN 20 CO 0.36 -0.44 0.60 0.42 -0.25 0.00 0.00 175.29 175.98 1dxe s ILE 21 N 1.36 5.04 0.41 1.08 -1.09 -1.26 -1.84 121.20 124.90 1dxe s ILE 21 Ca -0.02 1.12 0.06 0.00 -2.23 0.00 0.00 60.65 59.58 1dxe s ILE 21 Cb -0.17 -3.92 -0.07 0.00 -1.58 0.00 0.00 42.46 36.73 1dxe s ILE 21 CO -0.08 0.12 0.01 -0.83 -1.23 0.00 0.00 174.94 172.94 1dxe s GLY 22 N 1.20 2.52 -0.03 6.18 0.00 -0.26 -0.06 107.32 116.88 1dxe s GLY 22 Ca 0.27 -2.10 -0.01 0.00 0.00 0.00 0.00 44.72 42.88 1dxe s GLY 22 CO 0.10 -2.08 0.06 0.00 0.00 0.00 0.00 173.10 171.18 1dxe s TRP 24 N 0.59 3.16 -0.09 0.00 -0.11 0.18 -1.44 118.94 121.23 1dxe s TRP 24 Ca -0.05 1.53 -0.01 0.00 1.22 0.00 0.00 56.10 58.79 1dxe s TRP 24 Cb -0.07 -2.94 0.03 0.00 -1.50 0.00 0.00 33.47 28.99 1dxe s TRP 24 CO -0.02 -0.72 -0.03 0.45 -4.62 0.00 0.00 176.95 172.01 1dxe s SER 25 N -2.59 1.87 0.00 5.86 0.15 0.11 -0.74 113.70 118.37 1dxe s SER 25 Ca 0.63 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1dxe s SER 25 Cb -0.14 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 1dxe s SER 25 CO 0.28 -0.17 0.17 0.00 1.20 0.00 0.00 173.24 174.72 1dxe n ALA 26 N 5.06 1.18 0.35 5.45 0.00 -1.26 -1.80 120.51 129.48 1dxe n ALA 26 Ca -0.09 -0.17 0.06 0.00 0.00 0.00 0.00 53.44 53.24 1dxe n ALA 26 Cb 0.50 0.00 0.25 0.00 0.00 0.00 0.00 19.45 20.20 1dxe n ALA 26 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1dxe n LEU 27 N -0.17 0.07 -4.21 0.00 4.77 -1.26 -4.49 117.00 111.71 1dxe n LEU 27 Ca 0.00 0.52 -0.32 0.00 -0.03 0.00 0.00 56.01 56.18 1dxe n LEU 27 Cb 0.08 -0.52 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 1dxe n LEU 27 CO 0.00 -0.36 -0.25 -1.20 -1.33 0.00 0.00 177.39 174.25 1dxe n SER 28 N -1.58 -0.82 -3.61 -1.43 7.64 -1.26 -4.96 113.62 107.59 1dxe n SER 28 Ca 0.02 -1.12 -0.16 0.00 1.01 0.00 0.00 58.87 58.62 1dxe n SER 28 Cb 0.12 -2.34 -0.07 0.00 -1.01 0.00 0.00 64.21 60.92 1dxe n SER 28 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1dxe s ASN 29 N -3.97 -0.46 0.42 6.43 4.22 -1.26 -4.97 114.94 115.35 1dxe s ASN 29 Ca 0.29 0.42 0.23 0.00 -2.14 0.00 0.00 52.86 51.65 1dxe s ASN 29 Cb -0.16 0.45 0.79 0.00 1.28 0.00 0.00 41.25 43.61 1dxe s ASN 29 CO 0.95 -0.57 1.77 1.55 -2.04 0.00 0.00 177.10 178.77 1dxe h PRO 30 N 3.28 0.00 0.73 3.55 0.13 -1.87 -2.99 132.00 134.84 1dxe h PRO 30 Ca -0.28 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 1dxe h PRO 30 Cb 1.16 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 1dxe h PRO 30 CO 0.40 0.25 -0.35 0.82 -0.23 0.00 0.00 178.00 178.89 1dxe h ILE 31 N 0.00 0.04 -0.17 -3.56 1.08 -1.97 -1.38 117.51 111.56 1dxe h ILE 31 Ca -0.00 -0.27 -0.13 0.00 -0.39 0.00 0.00 64.86 64.07 1dxe h ILE 31 Cb 0.84 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 1dxe h ILE 31 CO 0.03 0.01 -0.45 0.77 -0.69 0.00 0.00 178.15 177.82 1dxe h SER 32 N -1.24 0.43 0.02 1.72 4.64 -1.97 -2.96 113.55 114.19 1dxe h SER 32 Ca -0.10 -0.20 -0.05 0.00 -0.47 0.00 0.00 61.79 60.97 1dxe h SER 32 Cb 0.76 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1dxe h SER 32 CO 0.17 0.82 -0.14 0.74 -0.87 0.00 0.00 176.83 177.55 1dxe h THR 33 N 0.33 1.19 -0.79 2.95 2.02 -1.55 0.62 112.91 117.68 1dxe h THR 33 Ca 0.02 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 1dxe h THR 33 Cb 0.92 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.52 1dxe h THR 33 CO 0.08 0.26 0.31 -0.08 0.37 0.00 0.00 175.52 176.46 1dxe h GLU 34 N 0.24 1.19 -0.46 6.66 4.81 -1.07 -1.34 114.58 124.61 1dxe h GLU 34 Ca 0.05 -0.22 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 1dxe h GLU 34 Cb 0.41 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1dxe h GLU 34 CO 0.02 0.96 -0.03 0.28 -0.73 0.00 0.00 179.01 179.52 1dxe h VAL 35 N 1.16 1.27 -0.57 0.32 2.07 -1.28 -2.73 116.25 116.49 1dxe h VAL 35 Ca 0.26 -1.10 0.07 0.00 0.82 0.00 0.00 66.70 66.76 1dxe h VAL 35 Cb 0.22 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1dxe h VAL 35 CO -0.02 0.38 0.38 0.25 0.02 0.00 0.00 177.57 178.58 1dxe h LEU 36 N 0.67 0.42 0.00 2.57 5.85 -0.42 -1.06 115.31 123.34 1dxe h LEU 36 Ca 0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1dxe h LEU 36 Cb 0.54 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1dxe h LEU 36 CO 0.03 0.27 0.00 0.61 -0.34 0.00 0.00 178.44 179.01 1dxe n GLY 37 N -1.50 -0.88 0.02 3.75 0.00 -0.55 -2.45 105.19 103.59 1dxe n GLY 37 Ca 0.08 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1dxe n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dxe n LEU 38 N -1.47 0.61 0.25 0.99 4.77 -0.40 -4.30 117.00 117.45 1dxe n LEU 38 Ca 0.03 0.01 0.11 0.00 -0.03 0.00 0.00 56.01 56.13 1dxe n LEU 38 Cb 0.13 -0.18 0.66 0.00 -2.33 0.00 0.00 43.42 41.71 1dxe n LEU 38 CO 0.11 0.08 0.94 0.00 -1.33 0.00 0.00 177.39 177.19 1dxe h ALA 39 N 2.78 1.35 0.00 -1.18 0.00 -1.60 -3.47 119.26 117.14 1dxe h ALA 39 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1dxe h ALA 39 Cb 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1dxe h ALA 39 CO 0.00 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1dxe n GLY 40 N -0.70 0.88 3.75 0.00 0.00 -1.26 -5.06 105.19 102.79 1dxe n GLY 40 Ca -0.02 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1dxe n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dxe s PHE 41 N -2.00 2.32 0.25 1.61 0.08 -1.26 -4.91 117.98 114.07 1dxe s PHE 41 Ca 0.00 1.47 0.08 0.00 0.12 0.00 0.00 56.93 58.60 1dxe s PHE 41 Cb 0.00 -3.62 0.27 0.00 -0.57 0.00 0.00 43.02 39.10 1dxe s PHE 41 CO 0.00 -2.53 1.56 -0.44 -0.10 0.00 0.00 175.22 173.71 1dxe h ASP 42 N 1.07 0.07 -4.97 1.36 3.32 -0.82 -3.33 116.42 113.12 1dxe h ASP 42 Ca -0.51 -0.04 -0.12 0.00 0.02 0.00 0.00 57.03 56.38 1dxe h ASP 42 Cb 1.30 -0.02 -0.20 0.00 0.22 0.00 0.00 39.33 40.63 1dxe h ASP 42 CO 0.56 0.71 -0.30 -1.66 -1.72 0.00 0.00 179.24 176.83 1dxe s TRP 43 N -3.54 -0.16 -0.07 4.55 1.48 -1.15 -1.31 118.94 118.75 1dxe s TRP 43 Ca -0.02 0.23 0.02 0.00 -1.06 0.00 0.00 56.10 55.27 1dxe s TRP 43 Cb 0.12 0.08 0.01 0.00 -1.16 0.00 0.00 33.47 32.53 1dxe s TRP 43 CO 0.78 -0.38 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.66 1dxe s LEU 44 N -1.32 1.63 -0.44 -4.66 1.43 -0.48 -1.94 118.68 112.91 1dxe s LEU 44 Ca -0.14 -0.31 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 1dxe s LEU 44 Cb -0.05 -0.86 0.04 0.00 0.03 0.00 0.00 46.19 45.35 1dxe s LEU 44 CO 0.04 0.03 0.40 -0.69 0.23 0.00 0.00 176.35 176.35 1dxe s VAL 45 N 0.74 5.17 -0.65 -1.59 1.01 -0.52 -0.42 120.40 124.14 1dxe s VAL 45 Ca -0.13 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 60.92 1dxe s VAL 45 Cb -0.16 -4.05 0.04 0.00 0.00 0.00 0.00 36.38 32.21 1dxe s VAL 45 CO 0.03 -0.46 1.15 -0.76 0.00 0.00 0.00 175.10 175.05 1dxe s LEU 46 N 1.89 3.59 -0.22 3.92 1.43 0.99 0.05 118.68 130.32 1dxe s LEU 46 Ca 0.08 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.53 1dxe s LEU 46 Cb -0.20 -2.76 -0.01 0.00 0.03 0.00 0.00 46.19 43.25 1dxe s LEU 46 CO 0.10 -1.57 1.36 -0.62 0.23 0.00 0.00 176.35 175.85 1dxe s ASP 47 N 3.35 6.73 0.00 2.29 -1.08 -0.75 -2.09 116.67 125.12 1dxe s ASP 47 Ca 0.35 1.52 0.14 0.00 -0.52 0.00 0.00 52.55 54.04 1dxe s ASP 47 Cb -0.10 -2.54 0.23 0.00 -1.46 0.00 0.00 42.92 39.05 1dxe s ASP 47 CO 0.18 -0.98 1.11 0.61 0.52 0.00 0.00 175.17 176.61 1dxe n GLY 48 N 4.09 1.12 0.12 2.66 0.00 0.27 -3.95 105.19 109.50 1dxe n GLY 48 Ca 0.15 -0.44 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 1dxe n GLY 48 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1dxe n GLU 49 N 0.80 0.57 0.00 1.61 2.13 -1.21 -3.81 120.64 120.74 1dxe n GLU 49 Ca 0.11 0.13 0.00 0.00 0.66 0.00 0.00 57.16 58.06 1dxe n GLU 49 Cb 0.41 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.66 1dxe n GLU 49 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1dxe n HIS 50 N -3.19 0.00 -4.31 4.31 8.25 -1.26 -4.96 115.22 114.06 1dxe n HIS 50 Ca -0.41 -0.38 -0.20 0.00 -0.26 0.00 0.00 57.72 56.47 1dxe n HIS 50 Cb 0.93 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.89 1dxe n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1dxe s ALA 51 N -0.76 1.85 -0.25 -1.41 0.00 -1.25 -5.03 121.76 114.90 1dxe s ALA 51 Ca 0.00 -1.44 -0.05 0.00 0.00 0.00 0.00 51.96 50.48 1dxe s ALA 51 Cb 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 23.12 22.82 1dxe s ALA 51 CO 0.00 0.19 2.50 -0.35 0.00 0.00 0.00 175.76 178.09 1dxe n PRO 52 N 0.34 1.58 -4.04 0.00 -0.04 -1.26 -4.63 135.00 126.95 1dxe n PRO 52 Ca -0.14 -0.88 -0.29 0.00 -0.04 0.00 0.00 63.50 62.15 1dxe n PRO 52 Cb 0.57 -1.99 -0.06 0.00 -0.04 0.00 0.00 33.50 31.98 1dxe n PRO 52 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1dxe s ASN 53 N 2.53 5.65 0.25 3.54 0.01 -1.26 -4.86 114.94 120.81 1dxe s ASN 53 Ca 0.45 0.00 -0.20 0.00 -0.71 0.00 0.00 52.86 52.40 1dxe s ASN 53 Cb 0.19 -1.54 0.07 0.00 0.41 0.00 0.00 41.25 40.37 1dxe s ASN 53 CO -0.01 0.14 0.96 1.51 -1.51 0.00 0.00 177.10 178.20 1dxe s ASP 54 N -2.59 0.02 0.29 -1.22 1.47 -1.26 -4.75 116.67 108.63 1dxe s ASP 54 Ca 0.30 -0.85 0.04 0.00 1.18 0.00 0.00 52.55 53.22 1dxe s ASP 54 Cb -0.12 0.62 0.76 0.00 -0.34 0.00 0.00 42.92 43.84 1dxe s ASP 54 CO 0.23 -1.24 1.67 0.40 0.68 0.00 0.00 175.17 176.92 1dxe h ILE 55 N 2.00 0.39 0.00 2.11 1.08 -1.99 0.38 117.51 121.48 1dxe h ILE 55 Ca -0.29 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.05 1dxe h ILE 55 Cb 1.23 0.05 -0.00 0.00 -3.07 0.00 0.00 36.82 35.03 1dxe h ILE 55 CO 0.38 0.06 -0.11 0.77 -0.69 0.00 0.00 178.15 178.56 1dxe h SER 56 N 0.31 0.00 0.13 1.72 4.64 -2.00 -2.83 113.55 115.52 1dxe h SER 56 Ca 0.57 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.66 1dxe h SER 56 Cb 1.14 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.19 1dxe h SER 56 CO -0.59 0.11 -2.10 0.35 -0.87 0.00 0.00 176.83 173.73 1dxe n THR 57 N -4.21 0.98 -0.07 2.95 -2.24 0.33 -4.43 114.28 107.58 1dxe n THR 57 Ca -0.03 -0.73 -0.11 0.00 -2.27 0.00 0.00 64.05 60.92 1dxe n THR 57 Cb 0.19 -0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 67.98 1dxe n THR 57 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1dxe h PHE 58 N 0.00 0.38 -0.55 4.78 0.04 -0.16 -2.75 116.94 118.68 1dxe h PHE 58 Ca -0.33 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.39 1dxe h PHE 58 Cb 1.79 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 39.80 1dxe h PHE 58 CO 0.00 0.44 0.28 0.82 -0.60 0.00 0.00 178.31 179.24 1dxe h ILE 59 N 0.21 1.19 -0.90 -0.55 2.04 -1.75 0.69 117.51 118.45 1dxe h ILE 59 Ca 0.08 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1dxe h ILE 59 Cb 0.24 0.54 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1dxe h ILE 59 CO -0.00 0.22 0.58 -0.65 0.00 0.00 0.00 178.15 178.30 1dxe h PRO 60 N 0.73 1.19 -0.05 2.37 0.11 -1.77 -0.59 132.00 134.00 1dxe h PRO 60 Ca 0.19 -0.08 -0.17 0.00 0.11 0.00 0.00 66.00 66.05 1dxe h PRO 60 Cb 0.09 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 30.93 1dxe h PRO 60 CO -0.03 0.80 -0.70 1.96 -0.21 0.00 0.00 178.00 179.82 1dxe h GLN 61 N 1.22 0.25 -0.48 1.05 4.20 -1.15 -0.76 115.11 119.44 1dxe h GLN 61 Ca 0.33 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 1dxe h GLN 61 Cb -0.12 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 1dxe h GLN 61 CO -0.07 0.85 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.70 1dxe h LEU 62 N 0.17 0.95 -0.77 1.46 3.38 -0.42 -1.25 115.31 118.83 1dxe h LEU 62 Ca -0.02 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 1dxe h LEU 62 Cb 1.25 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1dxe h LEU 62 CO 0.11 1.10 0.00 0.24 0.09 0.00 0.00 178.44 179.98 1dxe h MET 63 N 0.82 0.93 -0.18 1.13 2.86 -0.95 -2.20 114.93 117.35 1dxe h MET 63 Ca 0.12 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 1dxe h MET 63 Cb 0.72 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1dxe h MET 63 CO 0.06 0.92 0.01 0.00 1.06 0.00 0.00 176.91 178.95 1dxe h ALA 64 N 1.13 1.68 -0.01 6.32 0.00 -0.70 -2.20 119.26 125.49 1dxe h ALA 64 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1dxe h ALA 64 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1dxe h ALA 64 CO 0.02 0.24 -0.04 1.28 0.00 0.00 0.00 179.25 180.76 1dxe n LEU 65 N -4.39 1.02 -4.70 0.00 4.77 -0.51 -4.62 117.00 108.57 1dxe n LEU 65 Ca -0.00 -0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 55.24 1dxe n LEU 65 Cb 0.17 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1dxe n LEU 65 CO 0.36 0.17 1.44 -0.54 -1.33 0.00 0.00 177.39 177.50 1dxe s LYS 66 N -2.10 4.14 0.00 3.23 1.02 -0.83 -0.87 119.74 124.33 1dxe s LYS 66 Ca 0.38 2.59 0.00 0.00 0.02 0.00 0.00 55.97 58.96 1dxe s LYS 66 Cb 0.21 -3.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1dxe s LYS 66 CO 0.37 -0.81 0.00 0.41 -0.92 0.00 0.00 175.35 174.40 1dxe n GLY 67 N 4.16 1.62 3.81 -3.33 0.00 -1.26 -5.05 105.19 105.14 1dxe n GLY 67 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1dxe n GLY 67 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dxe s SER 68 N -1.78 7.04 0.03 1.61 0.15 -0.05 -4.94 113.70 115.76 1dxe s SER 68 Ca 0.00 1.70 0.28 0.00 0.70 0.00 0.00 55.95 58.64 1dxe s SER 68 Cb 0.00 -2.54 1.11 0.00 -1.71 0.00 0.00 66.02 62.88 1dxe s SER 68 CO 0.00 -0.27 1.86 0.00 1.20 0.00 0.00 173.24 176.03 1dxe n ALA 69 N -0.30 2.41 -2.25 5.45 0.00 -1.26 -4.84 120.51 119.72 1dxe n ALA 69 Ca 0.05 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 1dxe n ALA 69 Cb 0.53 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1dxe n ALA 69 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1dxe s SER 70 N -3.26 7.05 -0.20 0.00 0.01 -1.25 -4.89 113.70 111.16 1dxe s SER 70 Ca 0.13 2.13 -0.28 0.00 1.31 0.00 0.00 55.95 59.25 1dxe s SER 70 Cb 0.18 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.82 1dxe s SER 70 CO 0.55 -0.45 0.97 0.00 0.41 0.00 0.00 173.24 174.72 1dxe s ALA 71 N 0.64 3.60 0.18 1.44 0.00 -0.43 -4.84 121.76 122.35 1dxe s ALA 71 Ca 0.57 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.38 1dxe s ALA 71 Cb -0.32 -3.44 -0.08 0.00 0.00 0.00 0.00 23.12 19.29 1dxe s ALA 71 CO 0.32 -0.89 1.12 -2.14 0.00 0.00 0.00 175.76 174.18 1dxe s PRO 72 N 2.76 4.57 -0.05 0.00 0.02 -1.26 -1.38 135.00 139.65 1dxe s PRO 72 Ca 0.43 1.76 0.01 0.00 0.02 0.00 0.00 61.00 63.21 1dxe s PRO 72 Cb -0.16 -3.27 0.02 0.00 0.02 0.00 0.00 34.50 31.11 1dxe s PRO 72 CO 0.09 0.04 -0.06 0.08 -0.33 0.00 0.00 177.00 176.82 1dxe s VAL 73 N -0.21 0.68 -0.16 3.83 1.01 0.44 -4.19 120.40 121.79 1dxe s VAL 73 Ca 0.50 -0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 1dxe s VAL 73 Cb -0.30 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 1dxe s VAL 73 CO 0.35 0.26 0.14 0.54 0.00 0.00 0.00 175.10 176.40 1dxe s VAL 74 N 0.97 5.44 -0.44 2.92 0.11 -0.76 -0.01 120.40 128.64 1dxe s VAL 74 Ca -0.10 0.22 -0.13 0.00 -2.93 0.00 0.00 61.98 59.04 1dxe s VAL 74 Cb -0.14 -3.45 0.06 0.00 -1.53 0.00 0.00 36.38 31.32 1dxe s VAL 74 CO 0.00 0.52 0.33 -0.60 -3.33 0.00 0.00 175.10 172.02 1dxe s ARG 75 N -0.24 2.86 0.75 1.54 3.00 -0.89 -0.72 118.95 125.25 1dxe s ARG 75 Ca 0.11 -1.31 -0.14 0.00 -1.00 0.00 0.00 55.73 53.39 1dxe s ARG 75 Cb -0.12 -3.98 0.05 0.00 0.00 0.00 0.00 34.95 30.90 1dxe s ARG 75 CO 0.01 -0.94 1.17 0.14 0.00 0.00 0.00 175.30 175.68 1dxe s VAL 76 N 1.58 2.52 0.39 7.11 -7.23 -0.93 -0.57 120.40 123.27 1dxe s VAL 76 Ca 0.04 0.23 0.15 0.00 -1.81 0.00 0.00 61.98 60.58 1dxe s VAL 76 Cb -0.23 -2.69 0.14 0.00 0.56 0.00 0.00 36.38 34.16 1dxe s VAL 76 CO 0.06 -0.16 1.89 1.55 -0.31 0.00 0.00 175.10 178.13 1dxe h PRO 77 N -0.59 0.00 -2.30 4.82 0.13 -1.92 -3.38 132.00 128.76 1dxe h PRO 77 Ca -0.46 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.80 1dxe h PRO 77 Cb 1.28 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.28 1dxe h PRO 77 CO 0.49 0.30 0.49 -0.08 -0.23 0.00 0.00 178.00 178.97 1dxe s THR 78 N -4.28 0.00 -0.97 1.56 -1.32 -1.26 -4.82 115.64 104.55 1dxe s THR 78 Ca -0.03 -0.20 -0.20 0.00 -1.21 0.00 0.00 61.69 60.05 1dxe s THR 78 Cb 0.14 -1.31 0.11 0.00 -1.51 0.00 0.00 72.50 69.93 1dxe s THR 78 CO 0.70 0.00 1.22 0.21 -2.21 0.00 0.00 174.62 174.55 1dxe s ASN 79 N -2.63 6.62 -0.02 8.08 2.47 -1.26 -4.90 114.94 123.28 1dxe s ASN 79 Ca 0.07 -1.95 -0.05 0.00 0.42 0.00 0.00 52.86 51.35 1dxe s ASN 79 Cb -0.01 -2.44 0.01 0.00 -1.45 0.00 0.00 41.25 37.35 1dxe s ASN 79 CO -0.06 -1.16 0.12 -1.83 -3.72 0.00 0.00 177.10 170.46 1dxe s GLU 80 N 3.20 0.30 0.38 0.43 4.04 -1.26 -5.01 118.70 120.78 1dxe s GLU 80 Ca 0.36 -0.11 0.05 0.00 0.04 0.00 0.00 54.97 55.32 1dxe s GLU 80 Cb -0.03 0.13 0.75 0.00 0.02 0.00 0.00 34.13 34.99 1dxe s GLU 80 CO -0.09 -0.06 2.02 -1.35 -1.84 0.00 0.00 175.26 173.94 1dxe h PRO 81 N 5.17 0.70 0.21 -4.83 0.11 -1.92 -3.22 132.00 128.23 1dxe h PRO 81 Ca -0.28 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1dxe h PRO 81 Cb 1.20 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1dxe h PRO 81 CO 0.41 0.46 -0.10 0.28 -0.21 0.00 0.00 178.00 178.84 1dxe h VAL 82 N 0.72 0.87 -0.15 3.15 2.07 -1.98 0.27 116.25 121.20 1dxe h VAL 82 Ca 0.22 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 1dxe h VAL 82 Cb -0.01 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1dxe h VAL 82 CO -0.05 0.12 -0.25 -0.29 0.02 0.00 0.00 177.57 177.12 1dxe h ILE 83 N -0.58 1.24 -0.44 4.57 6.09 -1.95 -1.96 117.51 124.49 1dxe h ILE 83 Ca -0.03 -1.13 -0.09 0.00 -1.37 0.00 0.00 64.86 62.24 1dxe h ILE 83 Cb 0.42 1.41 -0.01 0.00 0.47 0.00 0.00 36.82 39.11 1dxe h ILE 83 CO 0.05 0.35 -0.06 0.40 -3.07 0.00 0.00 178.15 175.81 1dxe h ILE 84 N 0.24 1.27 -0.24 2.19 2.04 -1.54 0.30 117.51 121.77 1dxe h ILE 84 Ca 0.04 -1.15 0.05 0.00 1.00 0.00 0.00 64.86 64.80 1dxe h ILE 84 Cb 0.58 1.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 1dxe h ILE 84 CO 0.04 0.39 -0.09 0.50 0.00 0.00 0.00 178.15 178.99 1dxe h LYS 85 N 0.65 -0.05 -0.69 2.37 3.64 -0.47 -0.82 116.57 121.21 1dxe h LYS 85 Ca 0.12 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 1dxe h LYS 85 Cb 0.59 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1dxe h LYS 85 CO 0.04 -0.03 0.14 0.00 -2.27 0.00 0.00 179.45 177.32 1dxe h ARG 86 N -0.05 1.11 -0.05 1.90 3.08 -1.11 -2.89 114.38 116.37 1dxe h ARG 86 Ca 0.12 -0.28 -0.10 0.00 0.07 0.00 0.00 59.98 59.79 1dxe h ARG 86 Cb 0.23 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1dxe h ARG 86 CO -0.27 1.00 -0.42 -0.07 -1.07 0.00 0.00 179.97 179.14 1dxe h LEU 87 N 1.05 0.12 0.03 3.04 3.38 -0.54 -2.85 115.31 119.53 1dxe h LEU 87 Ca 0.21 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1dxe h LEU 87 Cb 0.41 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1dxe h LEU 87 CO 0.01 0.53 -0.02 -0.07 0.09 0.00 0.00 178.44 178.98 1dxe h LEU 88 N 0.09 -0.04 -1.64 1.67 3.38 -0.96 -2.80 115.31 115.02 1dxe h LEU 88 Ca 0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1dxe h LEU 88 Cb 0.79 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1dxe h LEU 88 CO 0.06 0.15 -0.19 0.44 0.09 0.00 0.00 178.44 179.00 1dxe h ASP 89 N -0.23 0.00 0.35 -0.43 3.32 -1.45 -1.89 116.42 116.10 1dxe h ASP 89 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dxe h ASP 89 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1dxe h ASP 89 CO 0.01 0.19 0.00 2.30 -1.72 0.00 0.00 179.24 180.01 1dxe n ILE 90 N -4.26 0.27 0.00 0.35 -5.35 -1.09 -1.85 119.36 107.44 1dxe n ILE 90 Ca -0.02 0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.52 1dxe n ILE 90 Cb 0.25 -0.71 0.00 0.00 -1.74 0.00 0.00 39.64 37.44 1dxe n ILE 90 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dxe n GLY 91 N 0.54 1.43 3.75 3.28 0.00 -0.71 -4.62 105.19 108.86 1dxe n GLY 91 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1dxe n GLY 91 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dxe s PHE 92 N -2.00 3.59 -0.49 1.61 0.08 -1.07 -4.89 117.98 114.81 1dxe s PHE 92 Ca 0.00 0.96 0.05 0.00 0.12 0.00 0.00 56.93 58.07 1dxe s PHE 92 Cb 0.00 -2.50 -0.00 0.00 -0.57 0.00 0.00 43.02 39.94 1dxe s PHE 92 CO 0.00 0.30 0.46 0.66 -0.10 0.00 0.00 175.22 176.54 1dxe n TYR 93 N 3.12 0.00 -4.44 0.36 4.01 -1.26 -4.53 117.16 114.41 1dxe n TYR 93 Ca -0.09 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.43 1dxe n TYR 93 Cb 0.52 0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.38 1dxe n TYR 93 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1dxe s ASN 94 N -0.94 1.45 0.03 7.72 0.01 -1.26 -0.88 114.94 121.07 1dxe s ASN 94 Ca 0.04 -0.23 0.06 0.00 -0.71 0.00 0.00 52.86 52.02 1dxe s ASN 94 Cb 0.04 -0.67 -0.02 0.00 0.41 0.00 0.00 41.25 41.02 1dxe s ASN 94 CO 0.13 0.01 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.19 1dxe s PHE 95 N 0.71 1.55 -0.22 2.20 0.40 0.46 -1.82 117.98 121.25 1dxe s PHE 95 Ca -0.13 -0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 55.85 1dxe s PHE 95 Cb -0.15 -0.94 0.03 0.00 0.51 0.00 0.00 43.02 42.46 1dxe s PHE 95 CO 0.02 0.04 -0.11 -1.17 0.70 0.00 0.00 175.22 174.70 1dxe s LEU 96 N -0.96 2.84 -0.30 -0.37 0.20 0.10 -0.47 118.68 119.71 1dxe s LEU 96 Ca 0.05 -0.83 -0.10 0.00 0.69 0.00 0.00 54.13 53.94 1dxe s LEU 96 Cb -0.08 -1.59 -0.02 0.00 -0.43 0.00 0.00 46.19 44.07 1dxe s LEU 96 CO 0.01 -0.08 0.16 -0.63 -0.29 0.00 0.00 176.35 175.52 1dxe s ILE 97 N 1.29 4.80 0.71 6.68 -1.09 0.61 -2.18 121.20 132.02 1dxe s ILE 97 Ca 0.01 -0.25 -0.11 0.00 -2.23 0.00 0.00 60.65 58.07 1dxe s ILE 97 Cb -0.16 -3.40 0.02 0.00 -1.58 0.00 0.00 42.46 37.34 1dxe s ILE 97 CO -0.07 0.12 1.07 -2.16 -1.23 0.00 0.00 174.94 172.66 1dxe s PRO 98 N 1.66 2.82 -0.48 2.79 0.05 -1.26 -0.51 135.00 140.07 1dxe s PRO 98 Ca 0.05 1.01 -0.15 0.00 0.05 0.00 0.00 61.00 61.96 1dxe s PRO 98 Cb -0.17 -1.97 0.02 0.00 0.05 0.00 0.00 34.50 32.43 1dxe s PRO 98 CO 0.07 -1.19 0.47 1.19 0.05 0.00 0.00 177.00 177.60 1dxe n PHE 99 N -3.16 -1.76 -3.38 0.56 3.72 -1.25 -4.46 117.46 107.73 1dxe n PHE 99 Ca 0.08 0.73 -0.45 0.00 -0.05 0.00 0.00 57.45 57.77 1dxe n PHE 99 Cb 0.53 -1.67 -0.07 0.00 -0.94 0.00 0.00 39.48 37.33 1dxe n PHE 99 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1dxe s VAL 100 N -1.91 5.19 -0.18 -4.37 1.01 -0.68 -4.88 120.40 114.58 1dxe s VAL 100 Ca 0.15 -1.18 0.12 0.00 0.00 0.00 0.00 61.98 61.07 1dxe s VAL 100 Cb -0.02 -4.15 -0.18 0.00 0.00 0.00 0.00 36.38 32.03 1dxe s VAL 100 CO 0.67 -0.64 0.34 -0.62 0.00 0.00 0.00 175.10 174.85 1dxe n GLU 101 N 5.20 1.11 -4.16 2.72 1.02 -1.26 -4.51 120.64 120.76 1dxe n GLU 101 Ca -0.13 -0.08 -0.10 0.00 -0.02 0.00 0.00 57.16 56.83 1dxe n GLU 101 Cb 0.43 -1.24 -0.10 0.00 -0.02 0.00 0.00 31.44 30.51 1dxe n GLU 101 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1dxe s THR 102 N -2.67 0.07 0.18 2.62 -4.23 -1.26 -3.74 115.64 106.61 1dxe s THR 102 Ca -0.02 -1.93 -0.13 0.00 -1.18 0.00 0.00 61.69 58.43 1dxe s THR 102 Cb 0.08 -2.18 0.08 0.00 1.34 0.00 0.00 72.50 71.82 1dxe s THR 102 CO 0.52 -0.32 1.79 0.50 -0.54 0.00 0.00 174.62 176.57 1dxe h LYS 103 N 2.78 0.82 -0.53 3.99 3.64 -1.86 -1.69 116.57 123.72 1dxe h LYS 103 Ca -0.35 -0.10 0.04 0.00 -1.27 0.00 0.00 60.65 58.97 1dxe h LYS 103 Cb 1.22 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.83 1dxe h LYS 103 CO 0.57 0.63 0.29 0.93 -2.27 0.00 0.00 179.45 179.59 1dxe h GLU 104 N 0.80 0.54 -0.38 1.90 3.07 -1.96 0.10 114.58 118.66 1dxe h GLU 104 Ca 0.21 -0.03 -0.07 0.00 -0.50 0.00 0.00 59.36 58.97 1dxe h GLU 104 Cb 0.04 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1dxe h GLU 104 CO -0.03 0.36 -0.05 0.93 -1.40 0.00 0.00 179.01 178.82 1dxe h GLU 105 N 0.56 0.62 -0.42 2.33 5.08 -1.88 -0.03 114.58 120.84 1dxe h GLU 105 Ca 0.23 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1dxe h GLU 105 Cb 0.10 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1dxe h GLU 105 CO -0.14 0.67 -0.15 0.00 -1.00 0.00 0.00 179.01 178.39 1dxe h ALA 106 N 1.37 0.58 -0.70 3.43 0.00 -0.68 -1.71 119.26 121.56 1dxe h ALA 106 Ca 0.11 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1dxe h ALA 106 Cb 0.44 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1dxe h ALA 106 CO 0.02 0.51 0.28 0.93 0.00 0.00 0.00 179.25 180.99 1dxe h GLU 107 N 0.66 1.05 -0.71 0.00 5.08 -0.56 -2.11 114.58 118.00 1dxe h GLU 107 Ca 0.10 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 1dxe h GLU 107 Cb 0.70 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1dxe h GLU 107 CO 0.05 0.87 0.17 -0.07 -1.00 0.00 0.00 179.01 179.03 1dxe h LEU 108 N 1.01 1.07 -0.25 1.33 4.07 -0.84 -0.51 115.31 121.18 1dxe h LEU 108 Ca 0.23 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1dxe h LEU 108 Cb 0.21 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1dxe h LEU 108 CO -0.02 1.02 0.13 0.00 -1.08 0.00 0.00 178.44 178.50 1dxe h ALA 109 N 1.11 0.32 -0.15 1.53 0.00 -1.06 0.44 119.26 121.44 1dxe h ALA 109 Ca 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1dxe h ALA 109 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1dxe h ALA 109 CO 0.00 -0.14 0.08 0.28 0.00 0.00 0.00 179.25 179.47 1dxe h VAL 110 N 0.28 1.10 -0.24 0.00 2.07 -1.18 -2.76 116.25 115.54 1dxe h VAL 110 Ca 0.09 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 1dxe h VAL 110 Cb 0.08 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1dxe h VAL 110 CO -0.01 0.10 0.11 0.00 0.02 0.00 0.00 177.57 177.78 1dxe h ALA 111 N 0.97 1.76 0.00 1.67 0.00 -0.90 -1.57 119.26 121.19 1dxe h ALA 111 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dxe h ALA 111 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1dxe h ALA 111 CO -0.01 0.20 0.00 0.77 0.00 0.00 0.00 179.25 180.22 1dxe h SER 112 N 0.33 0.00 -0.09 0.00 0.02 -0.60 -0.35 113.55 112.85 1dxe h SER 112 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1dxe h SER 112 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1dxe h SER 112 CO -0.01 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.03 1dxe n THR 113 N -2.76 0.16 -5.22 -2.27 -2.24 -0.59 -4.27 114.28 97.09 1dxe n THR 113 Ca -0.01 -0.58 -0.31 0.00 -2.27 0.00 0.00 64.05 60.88 1dxe n THR 113 Cb 0.11 1.20 -0.16 0.00 -2.10 0.00 0.00 70.33 69.38 1dxe n THR 113 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dxe s ARG 114 N -1.26 2.38 0.70 -0.78 0.52 -0.89 -4.79 118.95 114.83 1dxe s ARG 114 Ca 0.21 -0.87 -0.14 0.00 -0.52 0.00 0.00 55.73 54.41 1dxe s ARG 114 Cb 0.14 -2.06 0.02 0.00 0.52 0.00 0.00 34.95 33.57 1dxe s ARG 114 CO 0.20 0.40 1.11 0.71 0.02 0.00 0.00 175.30 177.74 1dxe s TYR 115 N -0.22 2.55 0.73 -0.53 2.02 -1.26 -1.23 117.35 119.39 1dxe s TYR 115 Ca -0.01 1.56 -0.15 0.00 -0.37 0.00 0.00 57.07 58.10 1dxe s TYR 115 Cb -0.13 -3.16 0.04 0.00 -0.40 0.00 0.00 41.96 38.31 1dxe s TYR 115 CO 0.03 -1.81 1.22 -2.14 -1.57 0.00 0.00 175.55 171.28 1dxe s PRO 116 N -4.33 2.14 0.20 -1.71 0.02 -1.15 -1.74 135.00 128.42 1dxe s PRO 116 Ca 0.66 1.80 0.26 0.00 0.02 0.00 0.00 61.00 63.74 1dxe s PRO 116 Cb -0.20 -1.83 0.81 0.00 0.02 0.00 0.00 34.50 33.30 1dxe s PRO 116 CO 0.46 -1.85 1.77 -0.35 -0.33 0.00 0.00 177.00 176.70 1dxe n PRO 117 N -2.67 0.25 -0.14 5.54 -0.04 -1.26 -4.80 135.00 131.88 1dxe n PRO 117 Ca 0.14 0.20 -0.06 0.00 -0.04 0.00 0.00 63.50 63.74 1dxe n PRO 117 Cb 0.50 -1.79 0.03 0.00 -0.04 0.00 0.00 33.50 32.20 1dxe n PRO 117 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1dxe h GLU 118 N 0.00 0.47 0.00 0.54 5.08 -1.80 -3.46 114.58 115.40 1dxe h GLU 118 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1dxe h GLU 118 Cb 0.73 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1dxe h GLU 118 CO 0.00 0.31 0.00 0.41 -1.00 0.00 0.00 179.01 178.73 1dxe n GLY 119 N -1.23 5.98 0.03 -3.84 0.00 -0.71 -4.84 105.19 100.58 1dxe n GLY 119 Ca 0.03 -1.59 0.05 0.00 0.00 0.00 0.00 46.02 44.50 1dxe n GLY 119 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1dxe n ILE 120 N 0.00 1.40 -1.71 -0.61 -5.35 -0.19 -2.95 119.36 109.96 1dxe n ILE 120 Ca 0.00 -1.58 -0.43 0.00 -0.27 0.00 0.00 62.75 60.48 1dxe n ILE 120 Cb 0.00 0.16 -0.03 0.00 -1.74 0.00 0.00 39.64 38.03 1dxe n ILE 120 CO 0.00 0.00 0.00 -1.14 -1.76 0.00 0.00 176.55 173.65 1dxe n ARG 121 N -0.93 2.73 -2.16 6.28 0.63 -0.37 -4.91 116.66 117.92 1dxe n ARG 121 Ca 0.07 0.99 -0.38 0.00 -0.92 0.00 0.00 57.85 57.61 1dxe n ARG 121 Cb 0.43 -2.84 -0.01 0.00 0.45 0.00 0.00 32.46 30.50 1dxe n ARG 121 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1dxe s GLY 122 N 1.56 2.87 -0.18 5.14 0.00 -1.26 -4.46 107.32 110.98 1dxe s GLY 122 Ca 0.77 1.07 -0.09 0.00 0.00 0.00 0.00 44.72 46.48 1dxe s GLY 122 CO 0.34 1.60 0.13 0.14 0.00 0.00 0.00 173.10 175.31 1dxe s VAL 123 N -1.39 5.39 0.00 1.40 1.01 -1.26 -5.04 120.40 120.52 1dxe s VAL 123 Ca 0.60 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.77 1dxe s VAL 123 Cb -0.33 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1dxe s VAL 123 CO 0.42 0.48 -0.05 -0.55 0.00 0.00 0.00 175.10 175.41 1dxe s SER 124 N 0.03 0.53 0.00 3.32 0.15 -1.26 -5.07 113.70 111.39 1dxe s SER 124 Ca 0.09 -0.14 0.26 0.00 0.70 0.00 0.00 55.95 56.86 1dxe s SER 124 Cb -0.11 -0.04 0.64 0.00 -1.71 0.00 0.00 66.02 64.79 1dxe s SER 124 CO -0.00 0.02 1.51 1.33 1.20 0.00 0.00 173.24 177.29 1dxe n VAL 125 N 2.78 0.00 -3.68 4.45 0.24 -1.26 -4.86 118.33 116.01 1dxe n VAL 125 Ca -0.14 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.34 62.06 1dxe n VAL 125 Cb 0.58 0.14 -0.10 0.00 -1.47 0.00 0.00 33.84 32.99 1dxe n VAL 125 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1dxe s SER 126 N -2.96 -0.36 0.12 -1.34 0.15 -1.26 -4.40 113.70 103.64 1dxe s SER 126 Ca 0.12 0.94 -0.24 0.00 0.70 0.00 0.00 55.95 57.47 1dxe s SER 126 Cb 0.18 1.05 0.08 0.00 -1.71 0.00 0.00 66.02 65.62 1dxe s SER 126 CO 0.66 -0.21 1.12 -1.38 1.20 0.00 0.00 173.24 174.63 1dxe s HIS 127 N 2.02 0.07 0.36 3.44 -0.00 -1.26 -4.91 115.29 115.01 1dxe s HIS 127 Ca -0.05 -0.38 0.04 0.00 -0.00 0.00 0.00 55.06 54.66 1dxe s HIS 127 Cb -0.10 0.66 0.67 0.00 -0.00 0.00 0.00 32.58 33.81 1dxe s HIS 127 CO -0.13 -0.72 1.98 0.00 -0.00 0.00 0.00 174.74 175.87 1dxe h ARG 128 N 2.00 0.68 -0.99 -0.38 3.08 -1.78 0.39 114.38 117.38 1dxe h ARG 128 Ca -0.26 -0.07 0.06 0.00 0.07 0.00 0.00 59.98 59.78 1dxe h ARG 128 Cb 1.21 -0.14 -0.07 0.00 0.08 0.00 0.00 29.97 31.05 1dxe h ARG 128 CO 0.35 0.52 0.64 0.00 -1.07 0.00 0.00 179.97 180.41 1dxe h ALA 129 N 1.59 1.42 -0.50 0.04 0.00 -1.59 0.10 119.26 120.32 1dxe h ALA 129 Ca 0.18 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1dxe h ALA 129 Cb 0.05 -0.31 -0.10 0.00 0.00 0.00 0.00 17.79 17.42 1dxe h ALA 129 CO -0.03 0.44 0.12 0.27 0.00 0.00 0.00 179.25 180.05 1dxe n ASN 130 N -4.49 3.67 -4.06 0.00 2.04 -1.12 -4.94 115.26 106.37 1dxe n ASN 130 Ca 0.15 -3.39 -0.34 0.00 -0.44 0.00 0.00 54.58 50.56 1dxe n ASN 130 Cb 0.18 -0.66 -0.04 0.00 -2.53 0.00 0.00 39.78 36.73 1dxe n ASN 130 CO 0.00 0.00 0.00 0.80 -0.44 0.00 0.00 177.26 177.62 1dxe n MET 131 N -0.68 -0.65 -3.81 -3.83 0.00 0.02 -0.98 117.12 107.20 1dxe n MET 131 Ca 0.35 0.03 -0.24 0.00 -0.00 0.00 0.00 57.70 57.84 1dxe n MET 131 Cb 1.16 -2.57 0.02 0.00 0.00 0.00 0.00 33.22 31.83 1dxe n MET 131 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 1dxe n PHE 132 N -4.31 -1.92 -0.70 1.12 3.72 0.13 -2.40 117.46 113.09 1dxe n PHE 132 Ca -0.20 0.83 0.00 0.00 -0.05 0.00 0.00 57.45 58.04 1dxe n PHE 132 Cb 0.55 -4.15 0.00 0.00 -0.94 0.00 0.00 39.48 34.94 1dxe n PHE 132 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dxe n GLY 133 N -1.68 0.78 0.34 1.37 0.00 -0.15 -4.89 105.19 100.97 1dxe n GLY 133 Ca -0.23 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1dxe n GLY 133 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dxe n THR 134 N -2.24 0.00 -2.93 2.61 -2.24 -0.72 -4.85 114.28 103.91 1dxe n THR 134 Ca 0.00 -0.18 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 1dxe n THR 134 Cb 0.00 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 68.95 1dxe n THR 134 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1dxe s VAL 135 N -2.51 4.86 0.42 2.28 1.01 -1.02 -5.01 120.40 120.43 1dxe s VAL 135 Ca 0.21 1.48 -0.26 0.00 0.00 0.00 0.00 61.98 63.41 1dxe s VAL 135 Cb 0.19 -4.09 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 1dxe s VAL 135 CO 0.55 -0.07 1.44 0.00 0.00 0.00 0.00 175.10 177.02 1dxe s ALA 136 N 2.80 3.37 -1.74 5.51 0.00 -1.26 -3.07 121.76 127.36 1dxe s ALA 136 Ca 0.33 1.48 -0.14 0.00 0.00 0.00 0.00 51.96 53.63 1dxe s ALA 136 Cb -0.15 -3.59 0.14 0.00 0.00 0.00 0.00 23.12 19.52 1dxe s ALA 136 CO 0.08 -1.10 0.36 -3.47 0.00 0.00 0.00 175.76 171.62 1dxe n ASP 137 N 0.10 -0.71 0.24 0.00 2.03 -1.26 -4.84 116.55 112.11 1dxe n ASP 137 Ca 0.03 -1.25 -0.18 0.00 0.52 0.00 0.00 54.79 53.91 1dxe n ASP 137 Cb 0.41 -1.59 -0.10 0.00 -0.72 0.00 0.00 41.12 39.12 1dxe n ASP 137 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 1dxe h TYR 138 N -1.23 -1.45 -0.84 -0.67 3.20 -1.97 -1.70 116.97 112.30 1dxe h TYR 138 Ca -0.62 0.02 0.20 0.00 3.14 0.00 0.00 58.73 61.46 1dxe h TYR 138 Cb 1.39 0.58 -0.12 0.00 1.54 0.00 0.00 36.73 40.12 1dxe h TYR 138 CO 0.63 -0.66 0.32 0.74 -1.64 0.00 0.00 178.16 177.56 1dxe h PHE 139 N -0.94 0.53 -0.03 -3.82 0.04 -1.90 0.10 116.94 110.93 1dxe h PHE 139 Ca -0.05 0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1dxe h PHE 139 Cb 0.85 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.90 1dxe h PHE 139 CO -0.32 -0.04 -0.29 0.00 -0.60 0.00 0.00 178.31 177.06 1dxe h ALA 140 N 1.67 0.07 -0.27 2.45 0.00 -1.93 -3.34 119.26 117.91 1dxe h ALA 140 Ca 0.51 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1dxe h ALA 140 Cb 0.92 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1dxe h ALA 140 CO -0.51 0.13 -0.21 1.96 0.00 0.00 0.00 179.25 180.61 1dxe h GLN 141 N -0.34 0.50 -0.63 0.00 1.08 -0.80 -3.19 115.11 111.73 1dxe h GLN 141 Ca -0.03 -0.17 0.06 0.00 -1.45 0.00 0.00 58.65 57.06 1dxe h GLN 141 Cb 0.99 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 28.33 1dxe h GLN 141 CO 0.06 0.68 0.33 1.03 -0.95 0.00 0.00 178.83 179.98 1dxe h SER 142 N 0.45 0.47 -0.03 1.46 0.87 -0.93 -1.94 113.55 113.90 1dxe h SER 142 Ca 0.07 0.04 0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1dxe h SER 142 Cb 0.62 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.52 1dxe h SER 142 CO 0.04 0.31 0.09 0.78 -0.53 0.00 0.00 176.83 177.52 1dxe h ASN 143 N 0.61 0.00 -0.02 6.23 4.21 -1.68 -1.59 115.58 123.34 1dxe h ASN 143 Ca 0.29 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.80 1dxe h ASN 143 Cb 0.21 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.41 1dxe h ASN 143 CO -0.20 0.00 -0.04 0.29 -1.29 0.00 0.00 177.43 176.19 1dxe n LYS 144 N -3.29 1.26 -0.51 0.81 4.01 -0.77 -4.62 118.16 115.05 1dxe n LYS 144 Ca -0.02 -1.33 0.06 0.00 -0.51 0.00 0.00 58.31 56.50 1dxe n LYS 144 Cb 0.17 -1.29 0.20 0.00 -0.51 0.00 0.00 35.03 33.60 1dxe n LYS 144 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1dxe n ASN 145 N 0.73 1.94 -4.46 4.39 3.02 -0.60 -4.95 115.26 115.33 1dxe n ASN 145 Ca 0.09 -3.72 -0.34 0.00 -0.03 0.00 0.00 54.58 50.58 1dxe n ASN 145 Cb 0.38 -0.52 -0.13 0.00 -0.61 0.00 0.00 39.78 38.90 1dxe n ASN 145 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1dxe s ILE 146 N -3.16 3.78 -0.17 2.41 -1.09 -1.23 -4.69 121.20 117.04 1dxe s ILE 146 Ca 0.37 -0.39 -0.19 0.00 -2.23 0.00 0.00 60.65 58.21 1dxe s ILE 146 Cb 0.35 -2.66 -0.03 0.00 -1.58 0.00 0.00 42.46 38.54 1dxe s ILE 146 CO -0.04 0.48 0.54 -0.89 -1.23 0.00 0.00 174.94 173.80 1dxe s THR 147 N 0.56 5.11 -0.27 2.92 2.01 -0.06 -5.00 115.64 120.90 1dxe s THR 147 Ca -0.03 1.03 -0.03 0.00 0.31 0.00 0.00 61.69 62.96 1dxe s THR 147 Cb -0.14 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.52 1dxe s THR 147 CO 0.03 0.21 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.54 1dxe s ILE 148 N 1.35 3.27 -0.27 1.82 -1.09 -1.26 -0.40 121.20 124.62 1dxe s ILE 148 Ca 0.26 -0.98 -0.03 0.00 -2.23 0.00 0.00 60.65 57.68 1dxe s ILE 148 Cb -0.16 -2.71 0.03 0.00 -1.58 0.00 0.00 42.46 38.04 1dxe s ILE 148 CO 0.10 0.10 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.13 1dxe s LEU 149 N 1.37 3.48 -0.03 2.97 1.43 0.38 -0.94 118.68 127.34 1dxe s LEU 149 Ca 0.00 -0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 52.04 1dxe s LEU 149 Cb -0.17 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 1dxe s LEU 149 CO -0.01 -0.17 0.31 0.68 0.23 0.00 0.00 176.35 177.38 1dxe s VAL 150 N 1.34 5.21 -0.19 -1.59 -7.23 -0.78 -0.29 120.40 116.87 1dxe s VAL 150 Ca -0.01 0.54 -0.15 0.00 -1.81 0.00 0.00 61.98 60.55 1dxe s VAL 150 Cb -0.17 -3.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.13 1dxe s VAL 150 CO -0.02 0.55 0.36 -1.10 -0.31 0.00 0.00 175.10 174.58 1dxe s GLN 151 N -1.20 4.19 -0.42 4.82 -0.21 0.33 -0.58 119.66 126.59 1dxe s GLN 151 Ca 0.22 0.16 -0.12 0.00 0.02 0.00 0.00 55.36 55.64 1dxe s GLN 151 Cb -0.15 -3.51 0.05 0.00 1.00 0.00 0.00 33.01 30.41 1dxe s GLN 151 CO 0.11 0.03 0.29 0.42 -2.12 0.00 0.00 175.29 174.02 1dxe s ILE 152 N 1.11 4.75 -0.07 1.08 -1.09 0.32 -1.69 121.20 125.60 1dxe s ILE 152 Ca 0.18 -1.05 0.13 0.00 -2.23 0.00 0.00 60.65 57.68 1dxe s ILE 152 Cb -0.14 -3.78 0.26 0.00 -1.58 0.00 0.00 42.46 37.22 1dxe s ILE 152 CO 0.07 -0.42 1.14 -1.84 -1.23 0.00 0.00 174.94 172.66 1dxe n GLU 153 N 5.05 0.37 -3.81 2.79 0.28 -1.26 -3.30 120.64 120.76 1dxe n GLU 153 Ca -0.11 -1.66 -0.09 0.00 -0.16 0.00 0.00 57.16 55.13 1dxe n GLU 153 Cb 0.45 0.08 -0.06 0.00 1.43 0.00 0.00 31.44 33.33 1dxe n GLU 153 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 1dxe s SER 154 N -1.68 0.01 0.26 -1.84 1.04 -1.26 -3.24 113.70 106.98 1dxe s SER 154 Ca 0.16 -0.59 -0.04 0.00 0.48 0.00 0.00 55.95 55.96 1dxe s SER 154 Cb 0.23 0.40 0.31 0.00 0.10 0.00 0.00 66.02 67.06 1dxe s SER 154 CO -0.08 -0.79 1.83 -0.61 0.98 0.00 0.00 173.24 174.56 1dxe h GLN 155 N 2.60 1.01 -0.61 4.02 5.75 -1.92 -1.76 115.11 124.20 1dxe h GLN 155 Ca -0.33 -0.18 -0.06 0.00 -0.15 0.00 0.00 58.65 57.93 1dxe h GLN 155 Cb 1.22 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.58 1dxe h GLN 155 CO 0.52 0.83 0.14 0.37 -2.65 0.00 0.00 178.83 178.05 1dxe h GLN 156 N 0.99 0.98 -0.93 1.69 4.15 -1.97 -0.53 115.11 119.49 1dxe h GLN 156 Ca 0.23 -0.24 0.00 0.00 0.77 0.00 0.00 58.65 59.41 1dxe h GLN 156 Cb 0.21 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.72 1dxe h GLN 156 CO -0.02 0.89 0.58 0.78 -1.93 0.00 0.00 178.83 179.14 1dxe h GLY 157 N 0.89 1.32 0.92 2.39 0.00 -1.55 -0.77 103.07 106.27 1dxe h GLY 157 Ca 0.19 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.96 1dxe h GLY 157 CO 0.00 0.51 0.08 -2.08 0.00 0.00 0.00 176.54 175.05 1dxe h VAL 158 N 1.27 1.23 -0.53 4.60 2.07 -0.89 0.36 116.25 124.36 1dxe h VAL 158 Ca 0.34 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1dxe h VAL 158 Cb -0.10 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1dxe h VAL 158 CO -0.07 0.27 0.35 0.44 0.02 0.00 0.00 177.57 178.59 1dxe h ASP 159 N 0.45 0.55 -0.42 0.57 3.32 -0.51 -2.59 116.42 117.79 1dxe h ASP 159 Ca 0.11 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1dxe h ASP 159 Cb 0.33 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1dxe h ASP 159 CO 0.00 0.39 0.00 0.59 -1.72 0.00 0.00 179.24 178.50 1dxe n ASN 160 N -4.47 4.25 -0.24 6.45 3.02 -0.35 -4.70 115.26 119.23 1dxe n ASN 160 Ca 0.06 -2.70 0.14 0.00 -0.03 0.00 0.00 54.58 52.05 1dxe n ASN 160 Cb 0.10 -0.52 0.43 0.00 -0.61 0.00 0.00 39.78 39.19 1dxe n ASN 160 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1dxe h VAL 161 N 2.75 0.79 -0.07 2.41 3.04 -0.51 -1.31 116.25 123.34 1dxe h VAL 161 Ca 0.00 -0.19 -0.01 0.00 -1.01 0.00 0.00 66.70 65.48 1dxe h VAL 161 Cb 1.42 0.17 -0.00 0.00 -2.01 0.00 0.00 31.29 30.87 1dxe h VAL 161 CO 0.23 0.10 0.01 0.44 -1.01 0.00 0.00 177.57 177.34 1dxe h ASP 162 N 0.57 0.12 -0.32 3.17 3.32 -1.84 0.12 116.42 121.57 1dxe h ASP 162 Ca 0.44 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 1dxe h ASP 162 Cb 0.85 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1dxe h ASP 162 CO -0.18 0.38 0.05 0.00 -1.72 0.00 0.00 179.24 177.77 1dxe h ALA 163 N 0.75 1.33 0.01 3.45 0.00 -1.78 -0.96 119.26 122.05 1dxe h ALA 163 Ca 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 1dxe h ALA 163 Cb 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dxe h ALA 163 CO 0.00 0.47 -0.00 0.82 0.00 0.00 0.00 179.25 180.54 1dxe h ILE 164 N 0.61 1.30 0.00 0.00 2.04 -1.13 -2.94 117.51 117.39 1dxe h ILE 164 Ca 0.13 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.05 1dxe h ILE 164 Cb 0.30 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1dxe h ILE 164 CO 0.00 0.23 -0.16 0.00 0.00 0.00 0.00 178.15 178.23 1dxe h ALA 165 N 0.59 1.45 0.00 1.87 0.00 -0.78 -2.04 119.26 120.35 1dxe h ALA 165 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1dxe h ALA 165 Cb 0.39 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1dxe h ALA 165 CO 0.00 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1dxe n ALA 166 N -2.38 2.23 -1.99 0.00 0.00 -0.38 -4.85 120.51 113.14 1dxe n ALA 166 Ca -0.02 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.94 1dxe n ALA 166 Cb 0.25 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.22 1dxe n ALA 166 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1dxe s THR 167 N -3.05 2.79 0.12 0.00 2.01 -0.77 -4.95 115.64 111.80 1dxe s THR 167 Ca 0.12 0.57 -0.31 0.00 0.31 0.00 0.00 61.69 62.38 1dxe s THR 167 Cb 0.15 -3.36 -0.09 0.00 0.01 0.00 0.00 72.50 69.21 1dxe s THR 167 CO 0.53 0.04 1.56 -0.70 -0.69 0.00 0.00 174.62 175.36 1dxe s GLU 168 N 1.14 4.23 0.00 4.92 2.56 -1.26 -2.34 118.70 127.95 1dxe s GLU 168 Ca 0.69 2.30 0.00 0.00 0.00 0.00 0.00 54.97 57.95 1dxe s GLU 168 Cb -0.42 -3.31 0.00 0.00 2.00 0.00 0.00 34.13 32.40 1dxe s GLU 168 CO 0.31 -0.62 0.00 0.41 -0.56 0.00 0.00 175.26 174.80 1dxe n GLY 169 N 3.78 2.79 3.58 -1.50 0.00 -1.26 -4.95 105.19 107.63 1dxe n GLY 169 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.74 1dxe n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dxe s VAL 170 N -2.68 4.12 -0.29 1.61 1.01 -0.99 -4.29 120.40 118.91 1dxe s VAL 170 Ca 0.00 0.92 0.22 0.00 0.00 0.00 0.00 61.98 63.12 1dxe s VAL 170 Cb 0.00 -4.66 0.10 0.00 0.00 0.00 0.00 36.38 31.82 1dxe s VAL 170 CO 0.00 -1.21 1.23 0.44 0.00 0.00 0.00 175.10 175.56 1dxe h ASP 171 N 9.42 0.00 -4.83 3.32 3.32 -1.37 -3.48 116.42 122.80 1dxe h ASP 171 Ca -0.24 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.74 1dxe h ASP 171 Cb 1.06 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 40.41 1dxe h ASP 171 CO 1.15 0.08 0.10 -0.83 -1.72 0.00 0.00 179.24 178.03 1dxe s GLY 172 N -4.36 -0.50 -0.34 2.75 0.00 -1.08 -4.08 107.32 99.70 1dxe s GLY 172 Ca 0.02 1.26 -0.07 0.00 0.00 0.00 0.00 44.72 45.93 1dxe s GLY 172 CO 0.75 0.94 0.12 -0.42 0.00 0.00 0.00 173.10 174.49 1dxe s ILE 173 N -0.96 3.95 -0.15 0.90 -1.09 -0.36 -1.87 121.20 121.61 1dxe s ILE 173 Ca -0.10 -1.03 -0.04 0.00 -2.23 0.00 0.00 60.65 57.25 1dxe s ILE 173 Cb -0.01 -3.21 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 1dxe s ILE 173 CO 0.08 -0.16 -0.01 0.12 -1.23 0.00 0.00 174.94 173.74 1dxe s PHE 174 N 1.44 3.09 -0.20 3.97 5.36 0.26 -0.37 117.98 131.52 1dxe s PHE 174 Ca -0.01 -0.15 -0.14 0.00 -0.96 0.00 0.00 56.93 55.68 1dxe s PHE 174 Cb -0.19 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 40.49 1dxe s PHE 174 CO 0.03 0.08 0.31 0.08 -1.46 0.00 0.00 175.22 174.27 1dxe s VAL 175 N 0.16 5.27 -0.57 3.12 1.01 0.21 -0.52 120.40 129.08 1dxe s VAL 175 Ca 0.00 0.53 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 1dxe s VAL 175 Cb -0.13 -3.64 0.12 0.00 0.00 0.00 0.00 36.38 32.73 1dxe s VAL 175 CO 0.02 0.31 0.58 -0.83 0.00 0.00 0.00 175.10 175.19 1dxe s GLY 176 N 0.90 1.98 0.17 4.51 0.00 -1.21 -3.53 107.32 110.15 1dxe s GLY 176 Ca 0.15 -2.44 -0.16 0.00 0.00 0.00 0.00 44.72 42.27 1dxe s GLY 176 CO 0.06 1.35 1.67 -0.56 0.00 0.00 0.00 173.10 175.62 1dxe h PRO 177 N 8.98 0.03 -0.24 2.90 0.13 -1.90 -1.92 132.00 139.98 1dxe h PRO 177 Ca -0.29 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1dxe h PRO 177 Cb 1.09 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1dxe h PRO 177 CO 1.06 0.02 0.16 0.77 -0.23 0.00 0.00 178.00 179.77 1dxe h SER 178 N 0.03 0.28 0.06 1.44 0.02 -1.94 0.06 113.55 113.50 1dxe h SER 178 Ca 0.21 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 61.00 1dxe h SER 178 Cb 0.32 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1dxe h SER 178 CO -0.43 0.21 -0.53 0.44 -1.14 0.00 0.00 176.83 175.38 1dxe h ASP 179 N 0.32 0.56 -0.45 3.07 3.32 -1.83 -2.37 116.42 119.05 1dxe h ASP 179 Ca 0.09 -0.29 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 1dxe h ASP 179 Cb -0.03 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1dxe h ASP 179 CO -0.02 0.99 0.16 0.25 -1.72 0.00 0.00 179.24 178.90 1dxe h LEU 180 N 0.40 0.64 -0.42 1.55 5.85 -1.12 0.38 115.31 122.59 1dxe h LEU 180 Ca 0.01 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1dxe h LEU 180 Cb 1.06 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 1dxe h LEU 180 CO 0.10 0.66 0.27 0.00 -0.34 0.00 0.00 178.44 179.12 1dxe h ALA 181 N 1.01 0.53 -0.48 1.25 0.00 -0.93 -1.72 119.26 118.91 1dxe h ALA 181 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1dxe h ALA 181 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1dxe h ALA 181 CO -0.01 -0.04 0.27 0.00 0.00 0.00 0.00 179.25 179.47 1dxe h ALA 182 N 1.16 0.62 -0.57 0.00 0.00 -1.17 0.33 119.26 119.63 1dxe h ALA 182 Ca 0.16 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1dxe h ALA 182 Cb -0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1dxe h ALA 182 CO -0.05 0.14 0.38 0.00 0.00 0.00 0.00 179.25 179.71 1dxe h ALA 183 N 1.11 1.80 -0.36 0.00 0.00 -0.47 -1.27 119.26 120.07 1dxe h ALA 183 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1dxe h ALA 183 Cb 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1dxe h ALA 183 CO -0.03 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1dxe n LEU 184 N -4.47 2.81 -0.25 0.00 4.77 -0.69 -4.76 117.00 114.42 1dxe n LEU 184 Ca 0.08 -1.42 -0.03 0.00 -0.03 0.00 0.00 56.01 54.61 1dxe n LEU 184 Cb 0.21 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.87 1dxe n LEU 184 CO 0.34 0.50 -0.03 0.61 -1.33 0.00 0.00 177.39 177.48 1dxe n GLY 185 N 0.77 0.49 2.58 -0.72 0.00 -0.48 -4.96 105.19 102.87 1dxe n GLY 185 Ca 0.14 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 45.09 1dxe n GLY 185 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1dxe n HIS 186 N -3.25 2.17 -1.61 1.61 8.25 0.11 -5.00 115.22 117.50 1dxe n HIS 186 Ca -0.03 -2.99 -0.51 0.00 -0.26 0.00 0.00 57.72 53.93 1dxe n HIS 186 Cb 0.23 -0.25 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 1dxe n HIS 186 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1dxe n LEU 187 N -0.24 1.97 0.00 2.41 7.94 -1.23 -0.74 117.00 127.12 1dxe n LEU 187 Ca 0.23 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.24 1dxe n LEU 187 Cb 0.74 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.45 1dxe n LEU 187 CO 0.30 -0.87 0.00 0.61 -1.11 0.00 0.00 177.39 176.32 1dxe n GLY 188 N 2.76 0.45 2.21 -3.96 0.00 -1.26 -4.92 105.19 100.47 1dxe n GLY 188 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1dxe n GLY 188 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dxe n ASN 189 N -0.21 0.52 0.14 1.61 5.15 0.08 -4.92 115.26 117.62 1dxe n ASN 189 Ca 0.00 -2.78 0.12 0.00 -0.60 0.00 0.00 54.58 51.32 1dxe n ASN 189 Cb 0.11 -0.64 0.50 0.00 -0.53 0.00 0.00 39.78 39.22 1dxe n ASN 189 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1dxe n ALA 190 N 1.29 1.64 1.20 5.20 0.00 -1.26 -2.29 120.51 126.29 1dxe n ALA 190 Ca 0.22 0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.90 1dxe n ALA 190 Cb 0.53 -1.39 0.68 0.00 0.00 0.00 0.00 19.45 19.27 1dxe n ALA 190 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1dxe n SER 191 N -2.26 0.00 -4.72 0.00 3.41 -1.26 -4.07 113.62 104.71 1dxe n SER 191 Ca 0.02 0.18 -0.42 0.00 -0.26 0.00 0.00 58.87 58.39 1dxe n SER 191 Cb 0.22 -0.39 -0.01 0.00 -0.26 0.00 0.00 64.21 63.78 1dxe n SER 191 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1dxe n HIS 192 N -1.39 2.50 -0.32 7.33 -0.00 -0.97 -4.72 115.22 117.65 1dxe n HIS 192 Ca 0.10 0.51 0.15 0.00 0.46 0.00 0.00 57.72 58.95 1dxe n HIS 192 Cb 0.29 -2.46 0.34 0.00 -0.12 0.00 0.00 29.99 28.04 1dxe n HIS 192 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1dxe h PRO 193 N 2.78 0.40 0.00 1.57 0.11 -1.92 -0.63 132.00 134.31 1dxe h PRO 193 Ca -0.47 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1dxe h PRO 193 Cb 1.27 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1dxe h PRO 193 CO 0.64 0.26 -0.43 -0.44 -0.21 0.00 0.00 178.00 177.82 1dxe h ASP 194 N 0.41 0.00 0.10 -2.05 3.32 -1.95 -0.39 116.42 115.85 1dxe h ASP 194 Ca 0.60 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 57.36 1dxe h ASP 194 Cb 1.17 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.74 1dxe h ASP 194 CO -0.54 0.43 -1.15 0.58 -1.72 0.00 0.00 179.24 176.84 1dxe h VAL 195 N 0.00 1.29 -0.95 -1.35 2.07 -1.45 -2.31 116.25 113.55 1dxe h VAL 195 Ca -0.00 -2.38 -0.00 0.00 0.82 0.00 0.00 66.70 65.13 1dxe h VAL 195 Cb 0.79 2.56 -0.05 0.00 -1.52 0.00 0.00 31.29 33.07 1dxe h VAL 195 CO 0.06 0.73 0.58 1.56 0.02 0.00 0.00 177.57 180.52 1dxe h GLN 196 N 0.32 1.28 -0.49 1.57 1.08 -0.92 0.09 115.11 118.04 1dxe h GLN 196 Ca -0.16 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 56.86 1dxe h GLN 196 Cb 1.82 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 28.96 1dxe h GLN 196 CO 0.22 0.89 0.02 0.87 -0.95 0.00 0.00 178.83 179.88 1dxe h LYS 197 N 1.30 0.85 -0.85 1.46 1.57 -1.06 -2.23 116.57 117.62 1dxe h LYS 197 Ca 0.34 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1dxe h LYS 197 Cb -0.07 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.12 1dxe h LYS 197 CO -0.07 0.88 0.40 0.00 -0.57 0.00 0.00 179.45 180.09 1dxe h ALA 198 N 0.94 1.09 -0.03 3.86 0.00 -0.85 -1.12 119.26 123.16 1dxe h ALA 198 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dxe h ALA 198 Cb 0.48 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1dxe h ALA 198 CO 0.02 0.67 0.01 0.82 0.00 0.00 0.00 179.25 180.77 1dxe h ILE 199 N 1.21 1.09 -0.19 0.00 2.04 -0.76 -0.85 117.51 120.05 1dxe h ILE 199 Ca 0.29 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 1dxe h ILE 199 Cb 0.13 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1dxe h ILE 199 CO -0.03 0.07 -0.10 -0.61 0.00 0.00 0.00 178.15 177.48 1dxe h GLN 200 N -0.07 0.31 -0.57 2.37 4.15 -1.23 -1.15 115.11 118.92 1dxe h GLN 200 Ca 0.01 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 1dxe h GLN 200 Cb 0.11 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 1dxe h GLN 200 CO -0.00 0.42 0.14 1.25 -1.93 0.00 0.00 178.83 178.71 1dxe h HIS 201 N 0.29 0.95 -0.34 3.99 2.76 -0.87 0.70 115.15 122.62 1dxe h HIS 201 Ca 0.06 -0.11 -0.02 0.00 -2.20 0.00 0.00 60.37 58.10 1dxe h HIS 201 Cb 0.36 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 1dxe h HIS 201 CO 0.01 0.81 0.13 0.82 -1.30 0.00 0.00 177.93 178.39 1dxe h ILE 202 N 0.81 1.19 -0.36 6.26 2.04 -0.47 -0.63 117.51 126.35 1dxe h ILE 202 Ca 0.18 -0.61 0.02 0.00 1.00 0.00 0.00 64.86 65.45 1dxe h ILE 202 Cb 0.34 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.35 1dxe h ILE 202 CO 0.00 0.21 0.20 -0.26 0.00 0.00 0.00 178.15 178.30 1dxe h PHE 203 N 0.40 0.37 -0.82 1.37 0.04 -0.96 -1.51 116.94 115.84 1dxe h PHE 203 Ca 0.11 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.87 1dxe h PHE 203 Cb 0.21 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.21 1dxe h PHE 203 CO 0.00 0.21 0.39 -0.91 -0.60 0.00 0.00 178.31 177.40 1dxe h ASN 204 N 0.40 1.06 0.58 2.17 -0.26 -0.60 -1.62 115.58 117.31 1dxe h ASN 204 Ca 0.15 -0.13 -0.13 0.00 -0.56 0.00 0.00 56.30 55.63 1dxe h ASN 204 Cb 0.03 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 37.00 1dxe h ASN 204 CO -0.08 0.90 -0.61 0.03 -1.06 0.00 0.00 177.43 176.60 1dxe h ARG 205 N 1.16 0.03 -0.13 0.81 2.47 -0.86 -1.54 114.38 116.32 1dxe h ARG 205 Ca 0.28 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.97 1dxe h ARG 205 Cb 0.12 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 1dxe h ARG 205 CO -0.04 0.64 0.05 0.00 0.56 0.00 0.00 179.97 181.18 1dxe h ALA 206 N 1.36 0.17 -1.00 0.04 0.00 -0.84 -2.60 119.26 116.40 1dxe h ALA 206 Ca -0.01 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1dxe h ALA 206 Cb 1.09 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 1dxe h ALA 206 CO 0.08 -0.25 0.65 1.03 0.00 0.00 0.00 179.25 180.77 1dxe h SER 207 N 0.06 1.08 -0.04 0.00 0.87 -1.10 -1.24 113.55 113.18 1dxe h SER 207 Ca 0.04 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1dxe h SER 207 Cb 0.17 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 61.88 1dxe h SER 207 CO -0.00 0.73 0.06 0.00 -0.53 0.00 0.00 176.83 177.09 1dxe h ALA 208 N 1.43 1.38 -0.31 6.23 0.00 -0.89 -0.89 119.26 126.21 1dxe h ALA 208 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1dxe h ALA 208 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1dxe h ALA 208 CO -0.13 -0.08 0.00 0.72 0.00 0.00 0.00 179.25 179.75 1dxe n HIS 209 N -3.50 0.92 -1.42 0.00 8.25 -0.55 -4.96 115.22 113.96 1dxe n HIS 209 Ca -0.02 -0.78 -0.13 0.00 -0.26 0.00 0.00 57.72 56.53 1dxe n HIS 209 Cb 0.15 -0.26 -0.05 0.00 1.12 0.00 0.00 29.99 30.94 1dxe n HIS 209 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dxe n GLY 210 N -0.17 1.29 3.63 -1.41 0.00 -0.34 -4.87 105.19 103.32 1dxe n GLY 210 Ca 0.20 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1dxe n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dxe s LYS 211 N -3.17 3.06 0.68 1.61 -0.14 -0.69 -5.00 119.74 116.08 1dxe s LYS 211 Ca 0.00 -0.45 -0.14 0.00 -1.36 0.00 0.00 55.97 54.01 1dxe s LYS 211 Cb 0.00 -2.78 0.01 0.00 -1.68 0.00 0.00 37.83 33.38 1dxe s LYS 211 CO 0.00 0.62 1.11 -1.25 -0.76 0.00 0.00 175.35 175.07 1dxe s PRO 212 N -0.65 2.71 0.20 -1.68 0.04 -1.26 -3.54 135.00 130.82 1dxe s PRO 212 Ca 0.10 1.37 0.09 0.00 0.04 0.00 0.00 61.00 62.61 1dxe s PRO 212 Cb -0.12 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1dxe s PRO 212 CO 0.02 -1.32 -0.09 -1.54 0.04 0.00 0.00 177.00 174.10 1dxe s SER 213 N -2.67 4.21 0.26 6.66 1.04 -1.26 -1.23 113.70 120.71 1dxe s SER 213 Ca 0.66 -0.64 -0.07 0.00 0.48 0.00 0.00 55.95 56.39 1dxe s SER 213 Cb -0.20 -0.69 -0.01 0.00 0.10 0.00 0.00 66.02 65.22 1dxe s SER 213 CO 0.43 0.08 0.39 -0.83 0.98 0.00 0.00 173.24 174.29 1dxe s GLY 214 N -3.01 1.02 0.03 7.32 0.00 0.51 -0.74 107.32 112.45 1dxe s GLY 214 Ca 0.26 -1.26 -0.28 0.00 0.00 0.00 0.00 44.72 43.44 1dxe s GLY 214 CO 0.16 -0.92 0.98 -1.50 0.00 0.00 0.00 173.10 171.82 1dxe s ILE 215 N -3.81 0.00 -0.23 0.90 2.07 -1.07 -0.62 121.20 118.43 1dxe s ILE 215 Ca 0.29 -0.25 -0.08 0.00 -1.41 0.00 0.00 60.65 59.21 1dxe s ILE 215 Cb 0.01 -1.43 -0.03 0.00 0.13 0.00 0.00 42.46 41.14 1dxe s ILE 215 CO 0.13 0.00 0.08 -0.22 -1.91 0.00 0.00 174.94 173.01 1dxe s LEU 216 N -2.65 3.59 -0.36 8.50 2.96 -1.23 -1.15 118.68 128.33 1dxe s LEU 216 Ca 0.09 -0.11 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 1dxe s LEU 216 Cb -0.01 -1.95 0.15 0.00 0.50 0.00 0.00 46.19 44.88 1dxe s LEU 216 CO -0.04 0.03 0.29 0.00 -1.32 0.00 0.00 176.35 175.30 1dxe s ALA 217 N 1.26 0.31 -0.71 5.97 0.00 0.16 -4.68 121.76 124.08 1dxe s ALA 217 Ca 0.05 -1.48 0.19 0.00 0.00 0.00 0.00 51.96 50.72 1dxe s ALA 217 Cb -0.15 -1.81 0.81 0.00 0.00 0.00 0.00 23.12 21.98 1dxe s ALA 217 CO 0.04 -2.13 1.60 -0.35 0.00 0.00 0.00 175.76 174.92 1dxe n PRO 218 N 4.08 0.11 -3.48 0.00 -0.04 -1.26 -4.36 135.00 130.05 1dxe n PRO 218 Ca 0.12 0.35 -0.38 0.00 -0.04 0.00 0.00 63.50 63.55 1dxe n PRO 218 Cb 0.41 -1.70 -0.09 0.00 -0.04 0.00 0.00 33.50 32.07 1dxe n PRO 218 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1dxe s VAL 219 N -3.17 5.24 0.21 0.52 1.01 -1.26 -4.79 120.40 118.15 1dxe s VAL 219 Ca 0.05 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.36 1dxe s VAL 219 Cb 0.09 -3.63 0.19 0.00 0.00 0.00 0.00 36.38 33.03 1dxe s VAL 219 CO 0.33 0.23 1.66 -0.08 0.00 0.00 0.00 175.10 177.25 1dxe h GLU 220 N 7.93 0.10 -0.98 2.72 4.81 -1.90 -0.83 114.58 126.44 1dxe h GLU 220 Ca -0.34 -0.01 0.10 0.00 -0.13 0.00 0.00 59.36 58.99 1dxe h GLU 220 Cb 1.17 -0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.45 1dxe h GLU 220 CO 0.64 0.07 0.62 0.00 -0.73 0.00 0.00 179.01 179.61 1dxe h ALA 221 N 1.54 1.53 -0.18 2.92 0.00 -1.94 -0.51 119.26 122.62 1dxe h ALA 221 Ca 0.30 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1dxe h ALA 221 Cb 0.48 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1dxe h ALA 221 CO -0.51 0.25 -0.14 -0.44 0.00 0.00 0.00 179.25 178.41 1dxe h ASP 222 N 1.00 0.42 -0.52 0.00 3.32 -1.56 -2.07 116.42 117.02 1dxe h ASP 222 Ca 0.47 -0.45 0.06 0.00 0.02 0.00 0.00 57.03 57.12 1dxe h ASP 222 Cb 0.41 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.79 1dxe h ASP 222 CO -0.23 0.79 0.23 0.00 -1.72 0.00 0.00 179.24 178.31 1dxe h ALA 223 N 0.65 0.66 -0.26 3.45 0.00 -0.49 -0.50 119.26 122.77 1dxe h ALA 223 Ca 0.03 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1dxe h ALA 223 Cb 0.66 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1dxe h ALA 223 CO 0.04 -0.15 -0.23 0.00 0.00 0.00 0.00 179.25 178.91 1dxe h ARG 224 N 0.44 0.49 -0.35 0.00 3.08 -1.09 -1.15 114.38 115.80 1dxe h ARG 224 Ca 0.24 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 60.07 1dxe h ARG 224 Cb 0.21 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1dxe h ARG 224 CO -0.21 0.69 0.04 -0.09 -1.07 0.00 0.00 179.97 179.33 1dxe h ARG 225 N 0.44 0.60 -0.68 0.04 2.43 -0.63 -1.21 114.38 115.37 1dxe h ARG 225 Ca 0.07 -0.17 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1dxe h ARG 225 Cb 0.64 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 1dxe h ARG 225 CO 0.05 0.69 0.27 1.88 -1.51 0.00 0.00 179.97 181.35 1dxe h TYR 226 N 0.43 1.02 -0.74 2.20 0.05 -0.87 -0.61 116.97 118.44 1dxe h TYR 226 Ca 0.10 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.76 1dxe h TYR 226 Cb 0.40 -0.31 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 1dxe h TYR 226 CO 0.03 0.78 0.24 -0.07 -1.05 0.00 0.00 178.16 178.09 1dxe h LEU 227 N 0.99 1.08 -1.37 3.88 3.38 -0.99 -1.83 115.31 120.45 1dxe h LEU 227 Ca 0.23 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1dxe h LEU 227 Cb 0.19 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1dxe h LEU 227 CO -0.02 0.99 -0.31 -0.08 0.09 0.00 0.00 178.44 179.11 1dxe h GLU 228 N 1.10 0.00 0.00 1.13 4.57 -0.37 -1.68 114.58 119.34 1dxe h GLU 228 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1dxe h GLU 228 Cb 0.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1dxe h GLU 228 CO -0.01 0.31 0.00 0.91 -1.18 0.00 0.00 179.01 179.05 1dxe n TRP 229 N -4.08 0.00 0.00 0.92 7.02 -0.32 -4.88 117.44 116.11 1dxe n TRP 229 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1dxe n TRP 229 Cb 0.37 -0.26 0.00 0.00 -2.42 0.00 0.00 31.31 28.99 1dxe n TRP 229 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1dxe n GLY 230 N 0.69 0.85 3.77 6.99 0.00 -0.63 -4.89 105.19 111.97 1dxe n GLY 230 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1dxe n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dxe s ALA 231 N -2.00 3.02 -0.01 4.61 0.00 -0.87 -4.64 121.76 121.88 1dxe s ALA 231 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1dxe s ALA 231 Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 1dxe s ALA 231 CO 0.00 -0.77 -0.00 0.25 0.00 0.00 0.00 175.76 175.23 1dxe n THR 232 N -0.38 0.04 -3.43 0.00 -2.24 0.08 -4.46 114.28 103.88 1dxe n THR 232 Ca 0.07 -0.02 -0.44 0.00 -2.27 0.00 0.00 64.05 61.39 1dxe n THR 232 Cb 0.47 -0.73 -0.05 0.00 -2.10 0.00 0.00 70.33 67.92 1dxe n THR 232 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1dxe s PHE 233 N -2.01 3.53 -0.19 4.78 -0.71 -1.12 -0.12 117.98 122.14 1dxe s PHE 233 Ca -0.01 -1.95 -0.03 0.00 -1.04 0.00 0.00 56.93 53.91 1dxe s PHE 233 Cb 0.00 -3.65 -0.01 0.00 -1.21 0.00 0.00 43.02 38.15 1dxe s PHE 233 CO 0.02 -0.97 -0.07 0.08 -1.34 0.00 0.00 175.22 172.94 1dxe s VAL 234 N 0.65 3.28 -0.21 -2.49 1.01 -0.77 -2.61 120.40 119.25 1dxe s VAL 234 Ca 0.12 -0.54 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 1dxe s VAL 234 Cb -0.19 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.72 1dxe s VAL 234 CO -0.04 0.46 0.78 0.00 0.00 0.00 0.00 175.10 176.30 1dxe s ALA 235 N 1.14 3.59 -2.12 5.51 0.00 -0.30 -1.10 121.76 128.47 1dxe s ALA 235 Ca 0.02 -0.12 0.22 0.00 0.00 0.00 0.00 51.96 52.07 1dxe s ALA 235 Cb -0.14 -3.20 0.57 0.00 0.00 0.00 0.00 23.12 20.35 1dxe s ALA 235 CO -0.02 -0.77 1.48 1.33 0.00 0.00 0.00 175.76 177.79 1dxe n VAL 236 N 4.99 0.80 -3.63 0.00 0.24 0.17 -0.66 118.33 120.25 1dxe n VAL 236 Ca 0.04 -0.86 0.00 0.00 -2.04 0.00 0.00 64.34 61.48 1dxe n VAL 236 Cb 0.48 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.43 1dxe n VAL 236 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dxe n GLY 237 N 1.56 -1.02 3.18 7.63 0.00 -1.26 -4.26 105.19 111.02 1dxe n GLY 237 Ca 0.22 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.12 1dxe n GLY 237 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dxe s SER 238 N -4.00 0.05 0.25 1.61 1.04 -1.26 -0.65 113.70 110.73 1dxe s SER 238 Ca 0.00 -0.40 -0.05 0.00 0.48 0.00 0.00 55.95 55.98 1dxe s SER 238 Cb 0.00 0.29 0.26 0.00 0.10 0.00 0.00 66.02 66.68 1dxe s SER 238 CO 0.00 -0.57 1.86 -2.24 0.98 0.00 0.00 173.24 173.26 1dxe h ASP 239 N 3.39 1.05 -0.16 7.02 2.03 -1.28 -1.21 116.42 127.27 1dxe h ASP 239 Ca -0.32 -0.11 -0.03 0.00 -0.73 0.00 0.00 57.03 55.84 1dxe h ASP 239 Cb 1.19 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 39.42 1dxe h ASP 239 CO 0.49 0.87 -0.00 0.25 -1.03 0.00 0.00 179.24 179.81 1dxe h LEU 240 N 1.17 0.28 -0.36 0.15 5.85 -1.95 -1.37 115.31 119.08 1dxe h LEU 240 Ca 0.29 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1dxe h LEU 240 Cb 0.07 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1dxe h LEU 240 CO -0.04 0.53 0.19 1.23 -0.34 0.00 0.00 178.44 180.01 1dxe h GLY 241 N 0.03 0.55 1.57 3.75 0.00 -1.90 -0.62 103.07 106.45 1dxe h GLY 241 Ca 0.05 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 47.00 1dxe h GLY 241 CO 0.01 0.25 -0.36 -0.39 0.00 0.00 0.00 176.54 176.04 1dxe h VAL 242 N 0.46 1.29 -0.20 4.60 -1.51 -1.23 -1.52 116.25 118.13 1dxe h VAL 242 Ca 0.13 -1.48 -0.03 0.00 -1.23 0.00 0.00 66.70 64.09 1dxe h VAL 242 Cb 0.08 1.52 -0.01 0.00 -2.13 0.00 0.00 31.29 30.76 1dxe h VAL 242 CO -0.02 0.46 0.02 0.15 -1.23 0.00 0.00 177.57 176.95 1dxe h PHE 243 N 0.40 0.36 0.12 5.19 3.57 -1.03 0.11 116.94 125.67 1dxe h PHE 243 Ca 0.04 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1dxe h PHE 243 Cb 0.82 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1dxe h PHE 243 CO 0.03 0.51 -0.10 -0.09 -2.23 0.00 0.00 178.31 176.42 1dxe h ARG 244 N 0.11 -0.23 -0.05 1.11 9.65 -1.03 -0.67 114.38 123.28 1dxe h ARG 244 Ca 0.06 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1dxe h ARG 244 Cb 0.35 0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 28.98 1dxe h ARG 244 CO 0.01 -0.16 0.03 0.77 2.80 0.00 0.00 179.97 183.42 1dxe h SER 245 N -0.24 0.06 -0.59 -3.80 0.02 -1.22 -1.94 113.55 105.84 1dxe h SER 245 Ca -0.00 -0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.81 1dxe h SER 245 Cb 0.22 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1dxe h SER 245 CO -0.02 0.10 0.07 0.00 -1.14 0.00 0.00 176.83 175.84 1dxe h ALA 246 N 0.96 0.95 -0.28 3.77 0.00 -0.74 -0.11 119.26 123.82 1dxe h ALA 246 Ca 0.02 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 1dxe h ALA 246 Cb 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1dxe h ALA 246 CO -0.00 0.65 -0.54 1.79 0.00 0.00 0.00 179.25 181.15 1dxe h THR 247 N 0.96 1.28 -0.51 0.00 1.35 -1.10 -2.03 112.91 112.87 1dxe h THR 247 Ca 0.19 -1.73 -0.05 0.00 -0.55 0.00 0.00 66.41 64.27 1dxe h THR 247 Cb 0.46 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.49 1dxe h THR 247 CO 0.02 0.56 0.13 -0.61 -0.25 0.00 0.00 175.52 175.36 1dxe h GLN 248 N 0.65 0.81 -0.53 4.72 5.75 -1.21 -2.45 115.11 122.84 1dxe h GLN 248 Ca 0.02 -0.19 -0.01 0.00 -0.15 0.00 0.00 58.65 58.31 1dxe h GLN 248 Cb 1.13 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 1dxe h GLN 248 CO 0.12 0.78 0.28 -0.22 -2.65 0.00 0.00 178.83 177.14 1dxe h LYS 249 N 0.70 0.75 -0.38 1.69 3.64 -0.95 -0.47 116.57 121.56 1dxe h LYS 249 Ca 0.16 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1dxe h LYS 249 Cb 0.33 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1dxe h LYS 249 CO 0.00 0.59 0.23 1.25 -2.27 0.00 0.00 179.45 179.25 1dxe h LEU 250 N 0.71 0.38 -0.36 5.20 5.85 -1.23 -0.17 115.31 125.69 1dxe h LEU 250 Ca 0.19 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1dxe h LEU 250 Cb 0.07 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 1dxe h LEU 250 CO -0.03 0.27 0.16 0.00 -0.34 0.00 0.00 178.44 178.50 1dxe h ALA 251 N 1.16 0.47 -0.68 1.25 0.00 -1.21 -2.90 119.26 117.35 1dxe h ALA 251 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1dxe h ALA 251 Cb -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1dxe h ALA 251 CO -0.06 0.05 0.44 -0.44 0.00 0.00 0.00 179.25 179.25 1dxe h ASP 252 N 0.44 0.79 -0.66 0.00 3.32 -0.74 -1.91 116.42 117.66 1dxe h ASP 252 Ca 0.12 -0.02 0.11 0.00 0.02 0.00 0.00 57.03 57.26 1dxe h ASP 252 Cb 0.16 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 1dxe h ASP 252 CO -0.01 0.58 0.44 0.74 -1.72 0.00 0.00 179.24 179.27 1dxe h THR 253 N 0.93 0.87 -0.02 0.35 2.02 -0.81 -2.10 112.91 114.15 1dxe h THR 253 Ca 0.25 -0.15 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1dxe h THR 253 Cb -0.09 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 66.71 1dxe h THR 253 CO -0.05 0.08 -0.31 0.49 0.37 0.00 0.00 175.52 176.09 1dxe n PHE 254 N -4.47 0.00 -1.64 3.16 3.01 -0.92 -4.99 117.46 111.60 1dxe n PHE 254 Ca 0.11 0.00 -0.49 0.00 1.01 0.00 0.00 57.45 58.08 1dxe n PHE 254 Cb 0.41 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.83 1dxe n PHE 254 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1dxe n LYS 255 N 0.19 1.67 0.00 -1.08 4.76 -0.77 -5.13 118.16 117.81 1dxe n LYS 255 Ca 0.09 0.60 0.14 0.00 -2.87 0.00 0.00 58.31 56.27 1dxe n LYS 255 Cb 0.42 -2.32 0.44 0.00 -1.84 0.00 0.00 35.03 31.73 1dxe n LYS 255 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66