#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 1.11 -3.97 5.18 2.07 -2.01 -3.43 116.25 115.20 1dxe h VAL 5 Ca 0.00 -0.27 -0.69 0.00 0.82 0.00 0.00 66.70 66.56 1dxe h VAL 5 Cb 0.00 0.83 -0.22 0.00 -1.52 0.00 0.00 31.29 30.37 1dxe h VAL 5 CO 0.00 0.11 -0.85 -0.36 0.02 0.00 0.00 177.57 176.49 1dxe s PHE 6 N -5.93 2.40 0.67 1.57 0.08 -1.26 -4.11 117.98 111.39 1dxe s PHE 6 Ca -0.13 -0.34 -0.13 0.00 0.12 0.00 0.00 56.93 56.44 1dxe s PHE 6 Cb 0.09 -1.34 0.00 0.00 -0.57 0.00 0.00 43.02 41.20 1dxe s PHE 6 CO 0.71 0.29 1.08 -1.25 -0.10 0.00 0.00 175.22 175.94 1dxe s PRO 7 N -1.80 2.90 -0.57 0.24 0.04 -1.26 -5.08 135.00 129.48 1dxe s PRO 7 Ca 0.14 1.19 -0.28 0.00 0.04 0.00 0.00 61.00 62.09 1dxe s PRO 7 Cb -0.10 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1dxe s PRO 7 CO 0.06 -1.14 1.40 1.21 0.04 0.00 0.00 177.00 178.57 1dxe s ASN 8 N -3.08 6.14 0.24 6.66 3.84 -1.26 -4.89 114.94 122.61 1dxe s ASN 8 Ca 0.63 0.26 -0.04 0.00 0.21 0.00 0.00 52.86 53.91 1dxe s ASN 8 Cb -0.17 -2.55 0.27 0.00 -0.55 0.00 0.00 41.25 38.25 1dxe s ASN 8 CO 0.46 -1.70 1.77 0.11 -2.79 0.00 0.00 177.10 174.95 1dxe h LYS 9 N 10.96 0.96 -0.37 0.43 1.57 -1.94 -2.41 116.57 125.78 1dxe h LYS 9 Ca -0.27 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1dxe h LYS 9 Cb 1.09 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1dxe h LYS 9 CO 1.18 0.87 0.22 0.35 -0.57 0.00 0.00 179.45 181.50 1dxe h PHE 10 N 0.92 0.48 -0.99 -1.35 3.57 -1.97 0.14 116.94 117.74 1dxe h PHE 10 Ca 0.19 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.71 1dxe h PHE 10 Cb 0.35 -0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.88 1dxe h PHE 10 CO 0.02 0.34 0.65 -0.22 -2.23 0.00 0.00 178.31 176.88 1dxe h LYS 11 N 0.48 1.28 -0.50 1.11 3.64 -1.91 -1.52 116.57 119.16 1dxe h LYS 11 Ca 0.13 -0.08 -0.11 0.00 -1.27 0.00 0.00 60.65 59.32 1dxe h LYS 11 Cb -0.00 -0.29 -0.02 0.00 -0.41 0.00 0.00 32.23 31.51 1dxe h LYS 11 CO -0.03 0.85 -0.13 0.00 -2.27 0.00 0.00 179.45 177.87 1dxe h ALA 12 N 1.37 0.68 -0.94 5.00 0.00 -0.90 -2.31 119.26 122.16 1dxe h ALA 12 Ca 0.37 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1dxe h ALA 12 Cb -0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 1dxe h ALA 12 CO -0.09 0.61 0.56 0.00 0.00 0.00 0.00 179.25 180.33 1dxe h ALA 13 N 0.89 1.21 -0.35 0.00 0.00 -0.12 -1.80 119.26 119.09 1dxe h ALA 13 Ca 0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1dxe h ALA 13 Cb 0.70 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1dxe h ALA 13 CO 0.05 0.67 0.02 -0.07 0.00 0.00 0.00 179.25 179.92 1dxe h LEU 14 N 1.31 0.59 -1.94 0.00 3.38 -1.15 -1.72 115.31 115.77 1dxe h LEU 14 Ca 0.34 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1dxe h LEU 14 Cb -0.04 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 1dxe h LEU 14 CO -0.06 0.73 0.01 0.00 0.09 0.00 0.00 178.44 179.21 1dxe h ALA 15 N 0.88 1.95 -0.01 1.53 0.00 -1.03 0.45 119.26 123.03 1dxe h ALA 15 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1dxe h ALA 15 Cb 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1dxe h ALA 15 CO 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 179.25 179.29 1dxe n ALA 16 N -2.53 2.65 -2.49 0.00 0.00 -0.71 -4.92 120.51 112.51 1dxe n ALA 16 Ca -0.02 -0.33 -0.19 0.00 0.00 0.00 0.00 53.44 52.90 1dxe n ALA 16 Cb 0.10 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 -0.42 -2.17 -3.08 0.00 4.76 0.15 -4.98 118.16 112.43 1dxe n LYS 17 Ca 0.20 0.89 -0.37 0.00 -2.87 0.00 0.00 58.31 56.17 1dxe n LYS 17 Cb 0.25 -5.46 -0.06 0.00 -1.84 0.00 0.00 35.03 27.92 1dxe n LYS 17 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1dxe s GLN 18 N -5.08 4.30 0.24 1.97 -0.21 -0.68 -4.97 119.66 115.22 1dxe s GLN 18 Ca 0.06 0.91 -0.30 0.00 0.02 0.00 0.00 55.36 56.05 1dxe s GLN 18 Cb -0.03 -2.93 -0.10 0.00 1.00 0.00 0.00 33.01 30.95 1dxe s GLN 18 CO 0.08 0.42 1.48 0.08 -2.12 0.00 0.00 175.29 175.23 1dxe s VAL 19 N -1.47 2.58 -0.20 1.09 1.01 -1.26 -4.69 120.40 117.46 1dxe s VAL 19 Ca 0.42 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 1dxe s VAL 19 Cb -0.17 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 32.96 1dxe s VAL 19 CO 0.22 0.07 -0.01 -1.10 0.00 0.00 0.00 175.10 174.28 1dxe s GLN 20 N -0.07 1.06 -0.22 2.72 -1.52 0.49 -5.00 119.66 117.12 1dxe s GLN 20 Ca 0.62 -0.59 -0.22 0.00 -1.95 0.00 0.00 55.36 53.22 1dxe s GLN 20 Cb -0.43 -2.21 -0.02 0.00 -0.22 0.00 0.00 33.01 30.14 1dxe s GLN 20 CO 0.41 -0.59 0.68 0.42 -0.25 0.00 0.00 175.29 175.97 1dxe s ILE 21 N 1.69 4.96 0.44 1.08 -1.09 -1.26 -1.92 121.20 125.09 1dxe s ILE 21 Ca -0.02 1.27 0.06 0.00 -2.23 0.00 0.00 60.65 59.73 1dxe s ILE 21 Cb -0.17 -3.99 -0.05 0.00 -1.58 0.00 0.00 42.46 36.67 1dxe s ILE 21 CO -0.07 0.04 0.07 -0.83 -1.23 0.00 0.00 174.94 172.92 1dxe s GLY 22 N 1.32 2.55 -0.03 6.18 0.00 -0.21 0.09 107.32 117.23 1dxe s GLY 22 Ca 0.30 -1.86 -0.01 0.00 0.00 0.00 0.00 44.72 43.14 1dxe s GLY 22 CO 0.09 -2.06 0.07 0.00 0.00 0.00 0.00 173.10 171.20 1dxe s TRP 24 N 0.64 3.17 -0.07 0.00 -0.11 0.44 -1.60 118.94 121.42 1dxe s TRP 24 Ca -0.05 1.50 -0.01 0.00 1.22 0.00 0.00 56.10 58.76 1dxe s TRP 24 Cb -0.07 -2.93 0.03 0.00 -1.50 0.00 0.00 33.47 29.00 1dxe s TRP 24 CO -0.02 -0.78 -0.01 0.45 -4.62 0.00 0.00 176.95 171.96 1dxe s SER 25 N -2.81 1.57 0.00 5.86 0.15 0.13 -0.91 113.70 117.69 1dxe s SER 25 Ca 0.62 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1dxe s SER 25 Cb -0.14 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.69 1dxe s SER 25 CO 0.33 -0.17 0.14 0.00 1.20 0.00 0.00 173.24 174.74 1dxe n ALA 26 N 5.01 1.14 0.37 5.45 0.00 -1.26 -1.82 120.51 129.39 1dxe n ALA 26 Ca -0.10 -0.14 0.04 0.00 0.00 0.00 0.00 53.44 53.25 1dxe n ALA 26 Cb 0.50 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.21 0.00 -4.27 0.00 4.77 -1.26 -4.49 117.00 111.53 1dxe n LEU 27 Ca 0.00 0.39 -0.31 0.00 -0.03 0.00 0.00 56.01 56.06 1dxe n LEU 27 Cb 0.07 -0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 40.68 1dxe n LEU 27 CO 0.00 -0.27 -0.45 -1.20 -1.33 0.00 0.00 177.39 174.14 1dxe n SER 28 N -1.39 0.80 -3.59 -1.43 7.64 -1.26 -4.95 113.62 109.44 1dxe n SER 28 Ca 0.03 -1.24 -0.16 0.00 1.01 0.00 0.00 58.87 58.51 1dxe n SER 28 Cb 0.09 -1.54 -0.07 0.00 -1.01 0.00 0.00 64.21 61.68 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 -4.29 -0.57 0.42 6.43 2.20 -1.26 -4.97 114.94 112.91 1dxe s ASN 29 Ca 0.04 0.70 0.22 0.00 -0.94 0.00 0.00 52.86 52.88 1dxe s ASN 29 Cb -0.02 0.63 0.89 0.00 -2.00 0.00 0.00 41.25 40.74 1dxe s ASN 29 CO 0.97 -0.51 1.82 1.55 -2.94 0.00 0.00 177.10 177.99 1dxe h PRO 30 N 3.55 0.00 0.69 3.55 0.13 -1.87 -3.00 132.00 135.04 1dxe h PRO 30 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 1dxe h PRO 30 Cb 1.15 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.29 1dxe h PRO 30 CO 0.34 0.27 -0.33 0.82 -0.23 0.00 0.00 178.00 178.87 1dxe h ILE 31 N 0.00 0.16 -0.21 -3.56 1.08 -1.97 -1.74 117.51 111.27 1dxe h ILE 31 Ca -0.00 -0.26 -0.13 0.00 -0.39 0.00 0.00 64.86 64.08 1dxe h ILE 31 Cb 0.75 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 1dxe h ILE 31 CO 0.04 0.02 -0.41 0.77 -0.69 0.00 0.00 178.15 177.87 1dxe h SER 32 N -1.14 0.53 -0.01 1.72 4.64 -1.97 -3.07 113.55 114.25 1dxe h SER 32 Ca -0.09 -0.23 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 1dxe h SER 32 Cb 0.74 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.67 1dxe h SER 32 CO 0.15 0.88 -0.10 0.74 -0.87 0.00 0.00 176.83 177.63 1dxe h THR 33 N 0.41 1.17 -0.71 2.95 2.02 -1.54 0.14 112.91 117.34 1dxe h THR 33 Ca 0.03 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 1dxe h THR 33 Cb 0.89 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.43 1dxe h THR 33 CO 0.08 0.23 0.23 -0.08 0.37 0.00 0.00 175.52 176.35 1dxe h GLU 34 N 0.25 1.11 -0.58 6.66 4.81 -1.21 -1.21 114.58 124.40 1dxe h GLU 34 Ca 0.05 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 58.98 1dxe h GLU 34 Cb 0.34 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1dxe h GLU 34 CO 0.02 0.95 0.09 0.28 -0.73 0.00 0.00 179.01 179.61 1dxe h VAL 35 N 1.05 1.26 -0.62 0.32 2.07 -1.33 -2.63 116.25 116.37 1dxe h VAL 35 Ca 0.23 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 66.79 1dxe h VAL 35 Cb 0.30 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 1dxe h VAL 35 CO -0.01 0.36 0.41 0.25 0.02 0.00 0.00 177.57 178.60 1dxe h LEU 36 N 0.85 0.64 -0.32 2.57 5.85 -0.49 -1.37 115.31 123.04 1dxe h LEU 36 Ca 0.17 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1dxe h LEU 36 Cb 0.42 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1dxe h LEU 36 CO 0.01 0.44 0.00 0.61 -0.34 0.00 0.00 178.44 179.16 1dxe n GLY 37 N -1.45 -0.92 0.08 3.75 0.00 -0.51 -2.12 105.19 104.03 1dxe n GLY 37 Ca 0.07 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1dxe n GLY 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1dxe h LEU 38 N 0.00 0.00 -2.27 0.99 3.38 -1.29 -3.38 115.31 112.73 1dxe h LEU 38 Ca 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1dxe h LEU 38 Cb 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 1dxe h LEU 38 CO 0.00 0.08 -0.03 0.00 0.09 0.00 0.00 178.44 178.58 1dxe h ALA 39 N 2.39 1.54 0.00 1.53 0.00 -1.53 -3.47 119.26 119.72 1dxe h ALA 39 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dxe h ALA 39 Cb 0.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1dxe h ALA 39 CO 0.00 0.04 0.00 0.41 0.00 0.00 0.00 179.25 179.70 1dxe n GLY 40 N -1.21 0.85 3.75 0.00 0.00 -1.26 -5.06 105.19 102.27 1dxe n GLY 40 Ca -0.03 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 2.43 0.27 1.61 0.08 -1.26 -4.91 117.98 114.21 1dxe s PHE 41 Ca 0.00 1.47 0.09 0.00 0.12 0.00 0.00 56.93 58.61 1dxe s PHE 41 Cb 0.00 -3.59 0.36 0.00 -0.57 0.00 0.00 43.02 39.21 1dxe s PHE 41 CO 0.00 -2.37 1.61 -0.44 -0.10 0.00 0.00 175.22 173.93 1dxe h ASP 42 N 1.33 0.05 -5.00 1.36 3.32 -0.70 -3.32 116.42 113.47 1dxe h ASP 42 Ca -0.50 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 56.40 1dxe h ASP 42 Cb 1.29 -0.02 -0.20 0.00 0.22 0.00 0.00 39.33 40.63 1dxe h ASP 42 CO 0.57 0.64 -0.27 -1.66 -1.72 0.00 0.00 179.24 176.80 1dxe s TRP 43 N -3.68 -0.17 -0.06 4.55 1.48 -1.15 -1.13 118.94 118.79 1dxe s TRP 43 Ca -0.02 0.24 0.03 0.00 -1.06 0.00 0.00 56.10 55.29 1dxe s TRP 43 Cb 0.13 0.10 0.01 0.00 -1.16 0.00 0.00 33.47 32.54 1dxe s TRP 43 CO 0.77 -0.40 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.62 1dxe s LEU 44 N -1.39 1.73 -0.40 -4.66 1.43 -0.54 -1.72 118.68 113.13 1dxe s LEU 44 Ca -0.13 -0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 52.53 1dxe s LEU 44 Cb -0.05 -0.83 0.02 0.00 0.03 0.00 0.00 46.19 45.36 1dxe s LEU 44 CO 0.04 0.06 0.27 -0.69 0.23 0.00 0.00 176.35 176.26 1dxe s VAL 45 N 0.47 5.07 -0.61 -1.59 1.01 -0.63 -0.56 120.40 123.56 1dxe s VAL 45 Ca -0.11 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 60.92 1dxe s VAL 45 Cb -0.14 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.47 1dxe s VAL 45 CO 0.03 -0.28 1.04 -0.76 0.00 0.00 0.00 175.10 175.13 1dxe s LEU 46 N 1.65 3.91 -0.24 3.92 1.43 0.89 0.17 118.68 130.41 1dxe s LEU 46 Ca 0.04 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.40 1dxe s LEU 46 Cb -0.19 -2.74 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 1dxe s LEU 46 CO 0.09 -1.42 1.38 -0.62 0.23 0.00 0.00 176.35 176.01 1dxe s ASP 47 N 3.21 6.66 0.00 2.29 -1.08 -0.76 -2.08 116.67 124.92 1dxe s ASP 47 Ca 0.31 1.45 0.16 0.00 -0.52 0.00 0.00 52.55 53.95 1dxe s ASP 47 Cb -0.12 -2.54 0.17 0.00 -1.46 0.00 0.00 42.92 38.97 1dxe s ASP 47 CO 0.17 -1.05 1.06 0.61 0.52 0.00 0.00 175.17 176.49 1dxe n GLY 48 N 4.24 0.53 0.13 2.66 0.00 0.21 -3.96 105.19 108.99 1dxe n GLY 48 Ca 0.16 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 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 0.91 0.64 0.00 1.61 2.13 -1.21 -3.87 120.64 120.86 1dxe n GLU 49 Ca 0.10 0.16 0.00 0.00 0.66 0.00 0.00 57.16 58.08 1dxe n GLU 49 Cb 0.42 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.61 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 -3.32 0.00 -4.28 4.31 8.25 -1.26 -4.97 115.22 113.95 1dxe n HIS 50 Ca -0.46 -0.40 -0.19 0.00 -0.26 0.00 0.00 57.72 56.40 1dxe n HIS 50 Cb 0.98 -0.04 -0.11 0.00 1.12 0.00 0.00 29.99 31.94 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 -0.80 1.72 -0.12 -1.41 0.00 -1.25 -5.04 121.76 114.86 1dxe s ALA 51 Ca 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 51.96 50.53 1dxe s ALA 51 Cb 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 23.12 22.85 1dxe s ALA 51 CO 0.00 0.15 2.46 -0.35 0.00 0.00 0.00 175.76 178.02 1dxe n PRO 52 N 0.38 1.39 -3.99 0.00 -0.04 -1.26 -4.62 135.00 126.86 1dxe n PRO 52 Ca -0.14 -0.74 -0.31 0.00 -0.04 0.00 0.00 63.50 62.27 1dxe n PRO 52 Cb 0.57 -1.90 -0.05 0.00 -0.04 0.00 0.00 33.50 32.08 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 2.46 5.91 0.34 3.54 0.01 -1.26 -4.87 114.94 121.07 1dxe s ASN 53 Ca 0.43 0.12 -0.18 0.00 -0.71 0.00 0.00 52.86 52.53 1dxe s ASN 53 Cb 0.19 -1.70 0.05 0.00 0.41 0.00 0.00 41.25 40.20 1dxe s ASN 53 CO -0.00 0.18 0.81 1.51 -1.51 0.00 0.00 177.10 178.08 1dxe s ASP 54 N -2.40 -0.05 0.38 -1.22 1.47 -1.26 -4.75 116.67 108.84 1dxe s ASP 54 Ca 0.31 -0.99 0.15 0.00 1.18 0.00 0.00 52.55 53.21 1dxe s ASP 54 Cb -0.13 0.79 1.00 0.00 -0.34 0.00 0.00 42.92 44.25 1dxe s ASP 54 CO 0.24 -1.54 1.80 0.40 0.68 0.00 0.00 175.17 176.74 1dxe h ILE 55 N 2.00 0.61 0.00 2.11 2.04 -1.99 0.29 117.51 122.58 1dxe h ILE 55 Ca -0.29 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 1dxe h ILE 55 Cb 1.25 0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1dxe h ILE 55 CO 0.37 0.09 -0.14 0.77 0.00 0.00 0.00 178.15 179.24 1dxe h SER 56 N 0.49 0.00 0.01 1.72 4.64 -2.00 -2.75 113.55 115.66 1dxe h SER 56 Ca 0.56 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.76 1dxe h SER 56 Cb 1.26 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1dxe h SER 56 CO -0.29 0.14 -2.11 0.35 -0.87 0.00 0.00 176.83 174.05 1dxe n THR 57 N -4.01 0.45 -0.07 2.95 -2.24 0.47 -4.42 114.28 107.41 1dxe n THR 57 Ca -0.02 -0.62 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 1dxe n THR 57 Cb 0.22 -0.15 -0.05 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.38 4.78 0.04 -0.30 -2.83 116.94 118.64 1dxe h PHE 58 Ca -0.18 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.52 1dxe h PHE 58 Cb 1.40 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 39.43 1dxe h PHE 58 CO 0.00 0.53 0.19 0.82 -0.60 0.00 0.00 178.31 179.25 1dxe h ILE 59 N 0.12 1.16 -0.95 -0.55 2.04 -1.74 0.76 117.51 118.35 1dxe h ILE 59 Ca 0.06 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.55 1dxe h ILE 59 Cb 0.37 0.76 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 1dxe h ILE 59 CO 0.01 0.17 0.60 -0.65 0.00 0.00 0.00 178.15 178.28 1dxe h PRO 60 N 0.47 1.04 -0.04 2.37 0.11 -1.77 -0.64 132.00 133.55 1dxe h PRO 60 Ca 0.13 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.03 1dxe h PRO 60 Cb 0.09 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 1dxe h PRO 60 CO -0.02 0.69 -0.66 1.96 -0.21 0.00 0.00 178.00 179.77 1dxe h GLN 61 N 1.07 0.15 -0.54 1.05 4.20 -1.20 -0.98 115.11 118.87 1dxe h GLN 61 Ca 0.42 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.90 1dxe h GLN 61 Cb 0.21 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1dxe h GLN 61 CO -0.19 0.75 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.54 1dxe h LEU 62 N 0.11 1.03 -0.79 1.46 3.38 -0.22 -1.38 115.31 118.90 1dxe h LEU 62 Ca -0.01 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 1dxe h LEU 62 Cb 1.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 1dxe h LEU 62 CO 0.10 1.14 -0.01 0.24 0.09 0.00 0.00 178.44 180.00 1dxe h MET 63 N 0.91 0.90 -0.08 1.13 2.86 -0.94 -2.07 114.93 117.65 1dxe h MET 63 Ca 0.14 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 1dxe h MET 63 Cb 0.68 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 1dxe h MET 63 CO 0.05 0.90 -0.07 0.00 1.06 0.00 0.00 176.91 178.85 1dxe h ALA 64 N 1.15 1.74 -0.01 6.32 0.00 -0.75 -2.38 119.26 125.32 1dxe h ALA 64 Ca 0.16 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1dxe h ALA 64 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1dxe h ALA 64 CO 0.02 0.20 -0.10 1.28 0.00 0.00 0.00 179.25 180.66 1dxe n LEU 65 N -4.39 1.22 -4.72 0.00 4.77 -0.56 -4.60 117.00 108.73 1dxe n LEU 65 Ca -0.02 -0.37 -0.43 0.00 -0.03 0.00 0.00 56.01 55.17 1dxe n LEU 65 Cb 0.19 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1dxe n LEU 65 CO 0.36 0.21 1.32 0.29 -1.33 0.00 0.00 177.39 178.24 1dxe n LYS 66 N -0.23 2.67 0.00 3.23 5.02 -0.90 -0.77 118.16 127.19 1dxe n LYS 66 Ca 0.16 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.41 1dxe n LYS 66 Cb 0.34 -2.78 0.00 0.00 -0.02 0.00 0.00 35.03 32.57 1dxe n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dxe n GLY 67 N 3.48 3.26 3.78 0.72 0.00 -1.26 -5.03 105.19 110.14 1dxe n GLY 67 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.05 6.63 0.25 1.61 0.15 0.05 -4.93 113.70 116.42 1dxe s SER 68 Ca 0.00 2.10 0.26 0.00 0.70 0.00 0.00 55.95 59.00 1dxe s SER 68 Cb 0.00 -2.59 0.84 0.00 -1.71 0.00 0.00 66.02 62.56 1dxe s SER 68 CO 0.00 -0.58 1.76 0.00 1.20 0.00 0.00 173.24 175.61 1dxe h ALA 69 N 2.40 1.00 -2.56 5.45 0.00 -1.87 -3.45 119.26 120.23 1dxe h ALA 69 Ca -0.48 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 53.90 1dxe h ALA 69 Cb 1.22 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.03 1dxe h ALA 69 CO 0.62 0.00 0.69 -1.12 0.00 0.00 0.00 179.25 179.43 1dxe s SER 70 N -4.60 6.88 -0.19 0.00 0.01 -1.25 -4.90 113.70 109.64 1dxe s SER 70 Ca 0.09 2.29 -0.29 0.00 1.31 0.00 0.00 55.95 59.34 1dxe s SER 70 Cb 0.11 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1dxe s SER 70 CO 0.55 -0.60 1.01 0.00 0.41 0.00 0.00 173.24 174.61 1dxe s ALA 71 N 0.94 3.60 0.16 1.44 0.00 -0.29 -4.83 121.76 122.78 1dxe s ALA 71 Ca 0.62 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.49 1dxe s ALA 71 Cb -0.36 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.20 1dxe s ALA 71 CO 0.31 -0.91 1.11 -2.14 0.00 0.00 0.00 175.76 174.14 1dxe s PRO 72 N 2.82 4.57 -0.05 0.00 0.02 -1.26 -1.47 135.00 139.64 1dxe s PRO 72 Ca 0.44 1.72 0.02 0.00 0.02 0.00 0.00 61.00 63.21 1dxe s PRO 72 Cb -0.16 -3.29 0.01 0.00 0.02 0.00 0.00 34.50 31.08 1dxe s PRO 72 CO 0.09 0.02 -0.09 0.08 -0.33 0.00 0.00 177.00 176.78 1dxe s VAL 73 N -0.03 0.86 -0.15 3.83 1.01 0.28 -4.17 120.40 122.03 1dxe s VAL 73 Ca 0.51 -0.35 -0.06 0.00 0.00 0.00 0.00 61.98 62.08 1dxe s VAL 73 Cb -0.29 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 1dxe s VAL 73 CO 0.34 0.29 0.07 0.54 0.00 0.00 0.00 175.10 176.33 1dxe s VAL 74 N 0.58 4.84 -0.45 2.92 0.11 -0.67 -0.08 120.40 127.65 1dxe s VAL 74 Ca -0.10 -0.03 -0.15 0.00 -2.93 0.00 0.00 61.98 58.77 1dxe s VAL 74 Cb -0.13 -3.14 0.06 0.00 -1.53 0.00 0.00 36.38 31.64 1dxe s VAL 74 CO 0.02 0.52 0.35 -0.60 -3.33 0.00 0.00 175.10 172.05 1dxe s ARG 75 N -0.13 2.93 0.70 1.54 3.00 -0.88 -0.72 118.95 125.39 1dxe s ARG 75 Ca 0.07 -1.27 -0.15 0.00 -1.00 0.00 0.00 55.73 53.38 1dxe s ARG 75 Cb -0.12 -4.04 0.02 0.00 0.00 0.00 0.00 34.95 30.81 1dxe s ARG 75 CO 0.01 -0.94 1.17 0.14 0.00 0.00 0.00 175.30 175.69 1dxe s VAL 76 N 1.63 2.63 0.44 7.11 -7.23 -0.94 -0.62 120.40 123.41 1dxe s VAL 76 Ca 0.04 0.31 0.14 0.00 -1.81 0.00 0.00 61.98 60.66 1dxe s VAL 76 Cb -0.23 -2.87 0.18 0.00 0.56 0.00 0.00 36.38 34.02 1dxe s VAL 76 CO 0.07 -0.16 1.98 1.55 -0.31 0.00 0.00 175.10 178.22 1dxe h PRO 77 N -0.11 0.00 -2.28 4.82 0.13 -1.93 -3.38 132.00 129.26 1dxe h PRO 77 Ca -0.48 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.78 1dxe h PRO 77 Cb 1.28 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 1dxe h PRO 77 CO 0.51 0.20 0.50 -0.08 -0.23 0.00 0.00 178.00 178.90 1dxe s THR 78 N -4.59 0.00 -1.09 1.56 -1.32 -1.26 -4.81 115.64 104.13 1dxe s THR 78 Ca -0.04 -0.11 -0.19 0.00 -1.21 0.00 0.00 61.69 60.14 1dxe s THR 78 Cb 0.16 -1.17 0.10 0.00 -1.51 0.00 0.00 72.50 70.07 1dxe s THR 78 CO 0.70 0.00 1.41 0.21 -2.21 0.00 0.00 174.62 174.73 1dxe s ASN 79 N -2.56 6.73 0.02 8.08 2.47 -1.26 -4.92 114.94 123.50 1dxe s ASN 79 Ca 0.06 -2.16 -0.00 0.00 0.42 0.00 0.00 52.86 51.18 1dxe s ASN 79 Cb -0.01 -2.49 -0.02 0.00 -1.45 0.00 0.00 41.25 37.28 1dxe s ASN 79 CO -0.07 -1.15 -0.02 -1.83 -3.72 0.00 0.00 177.10 170.31 1dxe s GLU 80 N 3.43 0.32 0.12 0.43 4.04 -1.26 -5.00 118.70 120.78 1dxe s GLU 80 Ca 0.43 -0.61 -0.20 0.00 0.04 0.00 0.00 54.97 54.63 1dxe s GLU 80 Cb -0.01 0.11 -0.07 0.00 0.02 0.00 0.00 34.13 34.18 1dxe s GLU 80 CO -0.04 -0.05 1.75 -1.35 -1.84 0.00 0.00 175.26 173.73 1dxe h PRO 81 N 4.62 0.15 0.24 -4.83 0.11 -1.92 -3.25 132.00 127.12 1dxe h PRO 81 Ca -0.32 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.79 1dxe h PRO 81 Cb 1.21 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1dxe h PRO 81 CO 0.41 0.10 -0.32 0.28 -0.21 0.00 0.00 178.00 178.27 1dxe h VAL 82 N 0.16 0.33 -0.25 3.15 2.07 -1.98 0.47 116.25 120.20 1dxe h VAL 82 Ca 0.07 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 1dxe h VAL 82 Cb 0.02 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1dxe h VAL 82 CO -0.05 0.00 -0.10 -0.29 0.02 0.00 0.00 177.57 177.14 1dxe h ILE 83 N -0.62 1.21 -0.59 4.57 6.09 -1.95 -1.82 117.51 124.40 1dxe h ILE 83 Ca 0.00 -0.89 -0.08 0.00 -1.37 0.00 0.00 64.86 62.52 1dxe h ILE 83 Cb 0.59 1.13 -0.02 0.00 0.47 0.00 0.00 36.82 38.99 1dxe h ILE 83 CO -0.11 0.29 0.05 0.40 -3.07 0.00 0.00 178.15 175.71 1dxe h ILE 84 N 0.38 1.26 -0.34 2.19 2.04 -1.48 0.64 117.51 122.21 1dxe h ILE 84 Ca 0.08 -1.06 0.05 0.00 1.00 0.00 0.00 64.86 64.92 1dxe h ILE 84 Cb 0.42 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 1dxe h ILE 84 CO 0.02 0.39 0.09 0.50 0.00 0.00 0.00 178.15 179.15 1dxe h LYS 85 N 0.90 0.21 -0.38 2.37 3.64 -0.27 -0.80 116.57 122.23 1dxe h LYS 85 Ca 0.17 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 1dxe h LYS 85 Cb 0.49 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1dxe h LYS 85 CO 0.02 0.14 -0.22 0.00 -2.27 0.00 0.00 179.45 177.12 1dxe h ARG 86 N 0.21 0.74 -0.07 1.90 3.08 -0.96 -2.99 114.38 116.30 1dxe h ARG 86 Ca 0.16 -0.29 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 1dxe h ARG 86 Cb 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1dxe h ARG 86 CO -0.19 0.90 -0.48 -0.07 -1.07 0.00 0.00 179.97 179.06 1dxe h LEU 87 N 0.65 0.20 -0.03 3.04 3.38 -0.51 -2.92 115.31 119.11 1dxe h LEU 87 Ca 0.09 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1dxe h LEU 87 Cb 0.72 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1dxe h LEU 87 CO 0.06 0.65 0.01 -0.07 0.09 0.00 0.00 178.44 179.18 1dxe h LEU 88 N 0.15 0.05 -1.54 1.67 3.38 -1.03 -2.94 115.31 115.04 1dxe h LEU 88 Ca 0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 1dxe h LEU 88 Cb 0.91 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1dxe h LEU 88 CO 0.07 0.22 -0.18 0.44 0.09 0.00 0.00 178.44 179.08 1dxe h ASP 89 N -0.13 0.06 0.73 -0.43 3.32 -1.47 -2.57 116.42 115.94 1dxe h ASP 89 Ca 0.01 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1dxe h ASP 89 Cb 0.19 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1dxe h ASP 89 CO -0.00 0.25 0.00 2.30 -1.72 0.00 0.00 179.24 180.07 1dxe n ILE 90 N -4.29 0.45 0.00 0.35 -5.35 -1.11 -1.64 119.36 107.77 1dxe n ILE 90 Ca -0.02 0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 1dxe n ILE 90 Cb 0.26 -0.73 0.00 0.00 -1.74 0.00 0.00 39.64 37.43 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 0.78 0.47 3.72 3.28 0.00 -0.97 -4.51 105.19 107.96 1dxe n GLY 91 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.20 3.56 -0.29 1.61 0.08 -1.12 -4.91 117.98 115.71 1dxe s PHE 92 Ca 0.00 1.14 0.03 0.00 0.12 0.00 0.00 56.93 58.23 1dxe s PHE 92 Cb 0.00 -2.73 -0.01 0.00 -0.57 0.00 0.00 43.02 39.71 1dxe s PHE 92 CO 0.00 0.11 0.36 0.66 -0.10 0.00 0.00 175.22 176.25 1dxe n TYR 93 N 3.74 0.00 -4.54 0.36 4.01 -1.26 -4.51 117.16 114.96 1dxe n TYR 93 Ca -0.03 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.47 1dxe n TYR 93 Cb 0.51 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 -0.84 1.65 -0.01 7.72 0.01 -1.26 -0.73 114.94 121.49 1dxe s ASN 94 Ca 0.03 -0.27 0.05 0.00 -0.71 0.00 0.00 52.86 51.95 1dxe s ASN 94 Cb 0.03 -0.70 -0.01 0.00 0.41 0.00 0.00 41.25 40.97 1dxe s ASN 94 CO 0.09 0.04 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.20 1dxe s PHE 95 N 0.58 1.40 -0.21 2.20 0.40 0.26 -1.67 117.98 120.93 1dxe s PHE 95 Ca -0.12 -0.27 -0.03 0.00 -0.60 0.00 0.00 56.93 55.91 1dxe s PHE 95 Cb -0.14 -0.89 -0.00 0.00 0.51 0.00 0.00 43.02 42.49 1dxe s PHE 95 CO 0.03 -0.01 -0.08 -1.17 0.70 0.00 0.00 175.22 174.68 1dxe s LEU 96 N -0.46 2.71 -0.29 -0.37 0.20 0.11 -0.36 118.68 120.22 1dxe s LEU 96 Ca 0.06 -0.47 -0.08 0.00 0.69 0.00 0.00 54.13 54.32 1dxe s LEU 96 Cb -0.06 -1.67 -0.01 0.00 -0.43 0.00 0.00 46.19 44.02 1dxe s LEU 96 CO -0.00 -0.02 0.12 -0.63 -0.29 0.00 0.00 176.35 175.52 1dxe s ILE 97 N 1.43 4.39 0.62 6.68 -1.09 0.66 -2.22 121.20 131.67 1dxe s ILE 97 Ca 0.05 -0.42 -0.15 0.00 -2.23 0.00 0.00 60.65 57.91 1dxe s ILE 97 Cb -0.14 -3.20 -0.02 0.00 -1.58 0.00 0.00 42.46 37.52 1dxe s ILE 97 CO -0.06 0.14 1.06 -2.16 -1.23 0.00 0.00 174.94 172.69 1dxe s PRO 98 N 1.59 3.17 -1.17 2.79 0.04 -1.26 -0.57 135.00 139.58 1dxe s PRO 98 Ca 0.05 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.95 1dxe s PRO 98 Cb -0.17 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.40 1dxe s PRO 98 CO 0.05 -0.93 0.69 1.19 0.04 0.00 0.00 177.00 178.05 1dxe n PHE 99 N -2.32 -1.52 -3.13 0.56 3.72 -1.25 -4.45 117.46 109.06 1dxe n PHE 99 Ca 0.09 0.18 -0.42 0.00 -0.05 0.00 0.00 57.45 57.24 1dxe n PHE 99 Cb 0.53 -2.88 -0.07 0.00 -0.94 0.00 0.00 39.48 36.12 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 -3.47 4.88 -0.35 -4.37 1.01 -0.73 -4.89 120.40 112.48 1dxe s VAL 100 Ca 0.45 0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.79 1dxe s VAL 100 Cb -0.24 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 1dxe s VAL 100 CO 0.95 -0.46 0.34 -0.62 0.00 0.00 0.00 175.10 175.31 1dxe n GLU 101 N 6.12 3.46 -4.07 2.72 1.02 -1.26 -4.50 120.64 124.12 1dxe n GLU 101 Ca -0.02 -0.01 -0.09 0.00 -0.02 0.00 0.00 57.16 57.01 1dxe n GLU 101 Cb 0.48 -0.96 -0.09 0.00 -0.02 0.00 0.00 31.44 30.85 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 -1.96 0.10 0.21 2.62 -4.23 -1.26 -3.77 115.64 107.36 1dxe s THR 102 Ca 0.02 -1.70 -0.10 0.00 -1.18 0.00 0.00 61.69 58.73 1dxe s THR 102 Cb 0.06 -1.89 0.16 0.00 1.34 0.00 0.00 72.50 72.17 1dxe s THR 102 CO 0.36 -0.48 1.87 0.50 -0.54 0.00 0.00 174.62 176.34 1dxe h LYS 103 N 2.79 0.97 -0.66 3.99 3.64 -1.87 -1.67 116.57 123.76 1dxe h LYS 103 Ca -0.34 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.00 1dxe h LYS 103 Cb 1.20 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 32.77 1dxe h LYS 103 CO 0.56 0.64 0.43 0.93 -2.27 0.00 0.00 179.45 179.74 1dxe h GLU 104 N 1.00 0.84 -0.38 1.90 3.07 -1.96 0.06 114.58 119.11 1dxe h GLU 104 Ca 0.29 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 59.02 1dxe h GLU 104 Cb -0.07 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.63 1dxe h GLU 104 CO -0.08 0.56 -0.09 0.93 -1.40 0.00 0.00 179.01 178.93 1dxe h GLU 105 N 0.86 0.65 -0.26 2.33 5.08 -1.85 0.03 114.58 121.42 1dxe h GLU 105 Ca 0.25 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1dxe h GLU 105 Cb -0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1dxe h GLU 105 CO -0.07 0.73 0.02 0.00 -1.00 0.00 0.00 179.01 178.69 1dxe h ALA 106 N 1.31 0.35 -0.83 3.43 0.00 -0.69 -1.68 119.26 121.15 1dxe h ALA 106 Ca 0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1dxe h ALA 106 Cb 0.51 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1dxe h ALA 106 CO 0.03 0.06 0.42 0.93 0.00 0.00 0.00 179.25 180.69 1dxe h GLU 107 N 0.25 1.17 -0.69 0.00 5.08 -0.69 -2.21 114.58 117.49 1dxe h GLU 107 Ca 0.08 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1dxe h GLU 107 Cb 0.38 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 1dxe h GLU 107 CO 0.01 0.89 0.14 -0.07 -1.00 0.00 0.00 179.01 178.98 1dxe h LEU 108 N 1.17 1.07 -0.27 1.33 3.38 -0.79 -0.26 115.31 120.95 1dxe h LEU 108 Ca 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1dxe h LEU 108 Cb 0.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1dxe h LEU 108 CO -0.04 1.04 0.13 0.00 0.09 0.00 0.00 178.44 179.66 1dxe h ALA 109 N 1.07 0.34 -0.11 1.53 0.00 -1.00 -0.57 119.26 120.52 1dxe h ALA 109 Ca 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1dxe h ALA 109 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1dxe h ALA 109 CO 0.01 -0.09 0.07 0.28 0.00 0.00 0.00 179.25 179.51 1dxe h VAL 110 N 0.29 1.05 -0.46 0.00 2.07 -1.20 -2.69 116.25 115.31 1dxe h VAL 110 Ca 0.09 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1dxe h VAL 110 Cb 0.12 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1dxe h VAL 110 CO -0.01 0.04 0.31 0.00 0.02 0.00 0.00 177.57 177.93 1dxe h ALA 111 N 1.01 1.77 0.00 1.67 0.00 -0.87 -1.55 119.26 121.29 1dxe h ALA 111 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1dxe h ALA 111 Cb 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1dxe h ALA 111 CO -0.01 0.18 0.00 0.77 0.00 0.00 0.00 179.25 180.19 1dxe h SER 112 N 0.53 0.00 -0.08 0.00 0.02 -0.75 -0.29 113.55 112.98 1dxe h SER 112 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1dxe h SER 112 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1dxe h SER 112 CO -0.05 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 175.99 1dxe n THR 113 N -2.65 0.12 -5.26 -2.27 -2.24 -0.59 -4.29 114.28 97.10 1dxe n THR 113 Ca -0.01 -0.56 -0.31 0.00 -2.27 0.00 0.00 64.05 60.90 1dxe n THR 113 Cb 0.13 1.24 -0.16 0.00 -2.10 0.00 0.00 70.33 69.44 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 -1.33 2.30 0.71 -0.78 0.52 -0.95 -4.79 118.95 114.63 1dxe s ARG 114 Ca 0.21 -0.90 -0.13 0.00 -0.52 0.00 0.00 55.73 54.40 1dxe s ARG 114 Cb 0.14 -2.07 0.03 0.00 0.52 0.00 0.00 34.95 33.57 1dxe s ARG 114 CO 0.21 0.46 1.10 0.71 0.02 0.00 0.00 175.30 177.79 1dxe s TYR 115 N -0.37 2.65 0.75 -0.53 2.02 -1.26 -1.11 117.35 119.50 1dxe s TYR 115 Ca 0.03 1.54 -0.14 0.00 -0.37 0.00 0.00 57.07 58.13 1dxe s TYR 115 Cb -0.12 -3.08 0.05 0.00 -0.40 0.00 0.00 41.96 38.41 1dxe s TYR 115 CO 0.01 -1.69 1.18 -2.14 -1.57 0.00 0.00 175.55 171.34 1dxe s PRO 116 N -4.55 2.10 0.09 -1.71 0.02 -1.16 -1.46 135.00 128.33 1dxe s PRO 116 Ca 0.63 1.64 0.28 0.00 0.02 0.00 0.00 61.00 63.57 1dxe s PRO 116 Cb -0.18 -1.84 1.04 0.00 0.02 0.00 0.00 34.50 33.54 1dxe s PRO 116 CO 0.49 -1.84 1.85 -0.35 -0.33 0.00 0.00 177.00 176.83 1dxe n PRO 117 N -2.92 0.11 -0.23 5.54 -0.04 -1.26 -4.79 135.00 131.42 1dxe n PRO 117 Ca 0.12 0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.60 1dxe n PRO 117 Cb 0.51 -1.63 0.04 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.04 0.00 0.54 3.07 -1.82 -3.47 114.58 113.94 1dxe h GLU 118 Ca 0.00 -0.25 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 1dxe h GLU 118 Cb 0.60 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1dxe h GLU 118 CO 0.00 0.93 0.00 0.41 -1.40 0.00 0.00 179.01 178.95 1dxe n GLY 119 N -0.67 5.94 0.06 -3.84 0.00 -0.54 -4.85 105.19 101.30 1dxe n GLY 119 Ca 0.04 -1.63 0.06 0.00 0.00 0.00 0.00 46.02 44.49 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 1.50 -1.91 -0.61 -5.35 -0.16 -2.98 119.36 109.86 1dxe n ILE 120 Ca 0.00 -1.74 -0.42 0.00 -0.27 0.00 0.00 62.75 60.32 1dxe n ILE 120 Cb 0.00 0.04 -0.03 0.00 -1.74 0.00 0.00 39.64 37.91 1dxe n ILE 120 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1dxe s ARG 121 N -2.13 4.20 0.45 6.28 3.52 -0.26 -4.92 118.95 126.08 1dxe s ARG 121 Ca 0.20 2.38 -0.24 0.00 -0.13 0.00 0.00 55.73 57.94 1dxe s ARG 121 Cb 0.18 -3.27 -0.07 0.00 -1.56 0.00 0.00 34.95 30.22 1dxe s ARG 121 CO 0.02 -0.66 1.23 0.20 -0.81 0.00 0.00 175.30 175.28 1dxe s GLY 122 N 1.51 2.85 -0.15 8.12 0.00 -1.26 -4.44 107.32 113.95 1dxe s GLY 122 Ca 0.72 1.07 -0.10 0.00 0.00 0.00 0.00 44.72 46.41 1dxe s GLY 122 CO 0.32 1.58 0.19 0.14 0.00 0.00 0.00 173.10 175.33 1dxe s VAL 123 N -1.41 5.39 -0.00 1.40 1.01 -1.26 -5.04 120.40 120.48 1dxe s VAL 123 Ca 0.62 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.93 1dxe s VAL 123 Cb -0.33 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1dxe s VAL 123 CO 0.41 0.50 -0.00 -0.55 0.00 0.00 0.00 175.10 175.46 1dxe s SER 124 N -0.21 0.08 0.03 3.32 0.15 -1.26 -5.07 113.70 110.74 1dxe s SER 124 Ca 0.14 -0.01 0.26 0.00 0.70 0.00 0.00 55.95 57.04 1dxe s SER 124 Cb -0.12 -0.02 0.72 0.00 -1.71 0.00 0.00 66.02 64.88 1dxe s SER 124 CO 0.03 -0.01 1.58 1.33 1.20 0.00 0.00 173.24 177.36 1dxe n VAL 125 N 3.19 0.10 -3.68 4.45 0.24 -1.26 -4.85 118.33 116.52 1dxe n VAL 125 Ca -0.14 -0.06 -0.10 0.00 -2.04 0.00 0.00 64.34 62.00 1dxe n VAL 125 Cb 0.59 -0.09 -0.10 0.00 -1.47 0.00 0.00 33.84 32.76 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 -3.31 -0.45 0.08 -1.34 0.15 -1.26 -4.38 113.70 103.20 1dxe s SER 126 Ca 0.11 0.94 -0.25 0.00 0.70 0.00 0.00 55.95 57.45 1dxe s SER 126 Cb 0.17 0.96 0.09 0.00 -1.71 0.00 0.00 66.02 65.52 1dxe s SER 126 CO 0.65 -0.21 1.16 -1.38 1.20 0.00 0.00 173.24 174.66 1dxe s HIS 127 N 1.76 0.05 0.34 3.44 -0.00 -1.26 -4.91 115.29 114.71 1dxe s HIS 127 Ca -0.07 -0.31 0.02 0.00 -0.00 0.00 0.00 55.06 54.69 1dxe s HIS 127 Cb -0.09 0.63 0.59 0.00 -0.00 0.00 0.00 32.58 33.71 1dxe s HIS 127 CO -0.13 -0.60 1.97 0.00 -0.00 0.00 0.00 174.74 175.98 1dxe h ARG 128 N 2.00 0.81 -1.00 -0.38 3.08 -1.75 0.34 114.38 117.48 1dxe h ARG 128 Ca -0.25 -0.08 0.11 0.00 0.07 0.00 0.00 59.98 59.83 1dxe h ARG 128 Cb 1.20 -0.17 -0.08 0.00 0.08 0.00 0.00 29.97 31.00 1dxe h ARG 128 CO 0.34 0.59 0.63 0.00 -1.07 0.00 0.00 179.97 180.46 1dxe h ALA 129 N 1.55 1.51 -0.44 0.04 0.00 -1.53 0.83 119.26 121.21 1dxe h ALA 129 Ca 0.21 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1dxe h ALA 129 Cb -0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.49 1dxe h ALA 129 CO -0.04 0.26 0.07 0.27 0.00 0.00 0.00 179.25 179.82 1dxe n ASN 130 N -4.59 3.94 -4.15 0.00 6.94 -1.13 -4.94 115.26 111.33 1dxe n ASN 130 Ca 0.18 -3.25 -0.37 0.00 -0.02 0.00 0.00 54.58 51.12 1dxe n ASN 130 Cb 0.32 -0.63 -0.04 0.00 -2.36 0.00 0.00 39.78 37.07 1dxe n ASN 130 CO 0.00 0.00 0.00 0.80 -1.03 0.00 0.00 177.26 177.03 1dxe n MET 131 N -0.51 -0.61 -3.83 -3.83 0.00 0.28 -1.19 117.12 107.44 1dxe n MET 131 Ca 0.31 0.05 -0.24 0.00 -0.00 0.00 0.00 57.70 57.81 1dxe n MET 131 Cb 1.10 -2.83 0.01 0.00 0.00 0.00 0.00 33.22 31.50 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 -4.61 -1.89 -0.76 1.12 3.72 0.11 -2.42 117.46 112.73 1dxe n PHE 132 Ca -0.21 0.82 0.00 0.00 -0.05 0.00 0.00 57.45 58.01 1dxe n PHE 132 Cb 0.60 -4.09 0.00 0.00 -0.94 0.00 0.00 39.48 35.05 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 -1.70 0.66 0.44 1.37 0.00 -0.33 -4.89 105.19 100.74 1dxe n GLY 133 Ca -0.24 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.64 0.00 -2.91 2.61 -2.24 -0.64 -4.87 114.28 103.59 1dxe n THR 134 Ca 0.00 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.13 1dxe n THR 134 Cb 0.00 1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 69.35 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 -2.52 4.86 0.43 2.28 1.01 -0.97 -5.01 120.40 120.49 1dxe s VAL 135 Ca 0.18 1.55 -0.25 0.00 0.00 0.00 0.00 61.98 63.46 1dxe s VAL 135 Cb 0.18 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 1dxe s VAL 135 CO 0.59 -0.03 1.35 0.00 0.00 0.00 0.00 175.10 177.00 1dxe s ALA 136 N 2.60 3.21 -1.76 5.51 0.00 -1.26 -3.14 121.76 126.91 1dxe s ALA 136 Ca 0.35 1.31 -0.17 0.00 0.00 0.00 0.00 51.96 53.45 1dxe s ALA 136 Cb -0.16 -3.53 0.16 0.00 0.00 0.00 0.00 23.12 19.60 1dxe s ALA 136 CO 0.09 -0.99 0.50 -3.47 0.00 0.00 0.00 175.76 171.88 1dxe n ASP 137 N -0.10 -1.43 0.20 0.00 2.03 -1.26 -4.85 116.55 111.14 1dxe n ASP 137 Ca 0.05 -1.20 -0.16 0.00 0.52 0.00 0.00 54.79 54.00 1dxe n ASP 137 Cb 0.43 -1.87 -0.09 0.00 -0.72 0.00 0.00 41.12 38.87 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 -1.22 -1.30 -0.71 -0.67 3.20 -1.97 -1.85 116.97 112.44 1dxe h TYR 138 Ca -0.61 0.02 0.16 0.00 3.14 0.00 0.00 58.73 61.43 1dxe h TYR 138 Cb 1.39 0.53 -0.12 0.00 1.54 0.00 0.00 36.73 40.06 1dxe h TYR 138 CO 0.65 -0.58 -0.01 0.74 -1.64 0.00 0.00 178.16 177.32 1dxe h PHE 139 N -0.82 -0.07 -0.06 -3.82 0.04 -1.90 0.21 116.94 110.52 1dxe h PHE 139 Ca -0.04 0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1dxe h PHE 139 Cb 0.74 0.14 -0.00 0.00 2.20 0.00 0.00 35.95 39.03 1dxe h PHE 139 CO -0.31 -0.22 -0.05 0.00 -0.60 0.00 0.00 178.31 177.13 1dxe h ALA 140 N 1.66 0.08 -0.08 2.45 0.00 -1.94 -3.29 119.26 118.14 1dxe h ALA 140 Ca 0.38 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1dxe h ALA 140 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1dxe h ALA 140 CO -0.63 -0.13 -0.39 1.96 0.00 0.00 0.00 179.25 180.06 1dxe h GLN 141 N -0.29 0.17 -0.54 0.00 1.08 -0.82 -3.20 115.11 111.51 1dxe h GLN 141 Ca 0.01 -0.08 0.05 0.00 -1.45 0.00 0.00 58.65 57.18 1dxe h GLN 141 Cb 0.53 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.91 1dxe h GLN 141 CO 0.01 0.55 0.28 1.03 -0.95 0.00 0.00 178.83 179.74 1dxe h SER 142 N 0.15 0.40 -0.08 1.46 0.87 -0.68 -2.03 113.55 113.64 1dxe h SER 142 Ca 0.01 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 1dxe h SER 142 Cb 0.76 -0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 1dxe h SER 142 CO 0.06 0.27 0.13 0.78 -0.53 0.00 0.00 176.83 177.54 1dxe h ASN 143 N 0.53 0.00 -0.21 6.23 4.21 -1.65 -1.51 115.58 123.18 1dxe h ASN 143 Ca 0.24 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.75 1dxe h ASN 143 Cb 0.16 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 1dxe h ASN 143 CO -0.17 0.00 0.00 0.29 -1.29 0.00 0.00 177.43 176.26 1dxe n LYS 144 N -3.55 1.89 -0.49 0.81 5.02 -0.80 -4.60 118.16 116.44 1dxe n LYS 144 Ca -0.01 -1.82 0.07 0.00 -2.02 0.00 0.00 58.31 54.53 1dxe n LYS 144 Cb 0.22 -1.35 0.15 0.00 -0.02 0.00 0.00 35.03 34.03 1dxe n LYS 144 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1dxe n ASN 145 N 0.97 1.74 -4.57 4.39 3.02 -0.57 -4.95 115.26 115.29 1dxe n ASN 145 Ca 0.13 -3.27 -0.34 0.00 -0.03 0.00 0.00 54.58 51.07 1dxe n ASN 145 Cb 0.45 -0.44 -0.11 0.00 -0.61 0.00 0.00 39.78 39.07 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 -2.53 4.20 -0.16 2.41 -1.09 -1.23 -4.69 121.20 118.11 1dxe s ILE 146 Ca 0.32 -0.25 -0.16 0.00 -2.23 0.00 0.00 60.65 58.33 1dxe s ILE 146 Cb 0.31 -2.84 -0.04 0.00 -1.58 0.00 0.00 42.46 38.31 1dxe s ILE 146 CO -0.04 0.51 0.38 -0.89 -1.23 0.00 0.00 174.94 173.67 1dxe s THR 147 N 0.12 5.24 -0.25 2.92 2.01 0.09 -4.99 115.64 120.78 1dxe s THR 147 Ca 0.01 0.73 -0.01 0.00 0.31 0.00 0.00 61.69 62.73 1dxe s THR 147 Cb -0.13 -3.72 0.03 0.00 0.01 0.00 0.00 72.50 68.69 1dxe s THR 147 CO 0.02 0.33 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.57 1dxe s ILE 148 N 0.73 2.67 -0.26 1.82 -1.09 -1.26 -0.57 121.20 123.24 1dxe s ILE 148 Ca 0.20 -1.15 -0.04 0.00 -2.23 0.00 0.00 60.65 57.44 1dxe s ILE 148 Cb -0.14 -2.38 0.02 0.00 -1.58 0.00 0.00 42.46 38.37 1dxe s ILE 148 CO 0.07 0.17 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.18 1dxe s LEU 149 N 1.28 3.37 -0.04 2.97 1.43 0.52 -0.77 118.68 127.44 1dxe s LEU 149 Ca -0.01 -0.76 -0.13 0.00 -1.03 0.00 0.00 54.13 52.20 1dxe s LEU 149 Cb -0.17 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 1dxe s LEU 149 CO -0.05 -0.14 0.34 0.68 0.23 0.00 0.00 176.35 177.41 1dxe s VAL 150 N 1.40 5.16 -0.25 -1.59 -7.23 -0.77 -0.25 120.40 116.88 1dxe s VAL 150 Ca 0.02 0.67 -0.15 0.00 -1.81 0.00 0.00 61.98 60.71 1dxe s VAL 150 Cb -0.17 -3.63 -0.04 0.00 0.56 0.00 0.00 36.38 33.11 1dxe s VAL 150 CO -0.02 0.58 0.36 -1.10 -0.31 0.00 0.00 175.10 174.61 1dxe s GLN 151 N -0.99 4.06 -0.43 4.82 -0.21 0.26 -0.37 119.66 126.79 1dxe s GLN 151 Ca 0.21 0.05 -0.16 0.00 0.02 0.00 0.00 55.36 55.48 1dxe s GLN 151 Cb -0.15 -3.62 0.04 0.00 1.00 0.00 0.00 33.01 30.27 1dxe s GLN 151 CO 0.11 -0.19 0.38 0.42 -2.12 0.00 0.00 175.29 173.88 1dxe s ILE 152 N 1.80 5.18 -0.15 1.08 -1.09 0.80 -1.77 121.20 127.06 1dxe s ILE 152 Ca 0.15 -0.67 0.14 0.00 -2.23 0.00 0.00 60.65 58.04 1dxe s ILE 152 Cb -0.15 -4.03 0.31 0.00 -1.58 0.00 0.00 42.46 37.01 1dxe s ILE 152 CO 0.09 -0.44 1.22 -1.84 -1.23 0.00 0.00 174.94 172.74 1dxe n GLU 153 N 5.35 0.74 -3.67 2.79 0.28 -1.26 -3.14 120.64 121.73 1dxe n GLU 153 Ca -0.10 -1.79 -0.11 0.00 -0.16 0.00 0.00 57.16 55.00 1dxe n GLU 153 Cb 0.46 -0.06 -0.05 0.00 1.43 0.00 0.00 31.44 33.22 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 -1.83 -0.21 0.23 -1.84 1.04 -1.26 -3.25 113.70 106.58 1dxe s SER 154 Ca 0.15 -0.24 -0.06 0.00 0.48 0.00 0.00 55.95 56.28 1dxe s SER 154 Cb 0.28 0.44 0.32 0.00 0.10 0.00 0.00 66.02 67.16 1dxe s SER 154 CO -0.08 -0.77 1.83 -0.61 0.98 0.00 0.00 173.24 174.59 1dxe h GLN 155 N 2.64 0.84 -0.61 4.02 5.75 -1.92 -1.06 115.11 124.78 1dxe h GLN 155 Ca -0.33 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.03 1dxe h GLN 155 Cb 1.23 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 29.57 1dxe h GLN 155 CO 0.47 0.56 0.04 0.37 -2.65 0.00 0.00 178.83 177.61 1dxe h GLN 156 N 0.87 1.05 -0.85 1.69 4.15 -1.97 -0.92 115.11 119.13 1dxe h GLN 156 Ca 0.36 -0.31 0.02 0.00 0.77 0.00 0.00 58.65 59.49 1dxe h GLN 156 Cb 0.20 -0.11 -0.05 0.00 0.21 0.00 0.00 27.48 27.74 1dxe h GLN 156 CO -0.19 1.00 0.55 0.78 -1.93 0.00 0.00 178.83 179.05 1dxe h GLY 157 N 1.01 1.21 0.89 2.39 0.00 -1.40 -0.43 103.07 106.76 1dxe h GLY 157 Ca 0.18 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 1dxe h GLY 157 CO 0.02 0.38 0.04 -2.08 0.00 0.00 0.00 176.54 174.91 1dxe h VAL 158 N 1.09 1.24 -0.88 4.60 2.07 -0.82 -0.76 116.25 122.80 1dxe h VAL 158 Ca 0.33 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 67.05 1dxe h VAL 158 Cb -0.05 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 1dxe h VAL 158 CO -0.10 0.28 0.57 0.44 0.02 0.00 0.00 177.57 178.78 1dxe h ASP 159 N 0.34 0.92 -0.64 0.57 3.32 -0.58 -2.60 116.42 117.75 1dxe h ASP 159 Ca 0.09 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1dxe h ASP 159 Cb 0.37 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1dxe h ASP 159 CO 0.01 0.62 0.00 0.59 -1.72 0.00 0.00 179.24 178.73 1dxe n ASN 160 N -4.46 4.99 -0.25 6.45 5.03 -0.22 -4.65 115.26 122.16 1dxe n ASN 160 Ca 0.12 -2.54 0.14 0.00 0.87 0.00 0.00 54.58 53.17 1dxe n ASN 160 Cb 0.14 -0.60 0.42 0.00 -1.02 0.00 0.00 39.78 38.72 1dxe n ASN 160 CO 0.00 0.00 0.00 1.62 -1.83 0.00 0.00 177.26 177.05 1dxe h VAL 161 N 4.12 0.80 -0.03 2.41 3.04 -0.72 -1.63 116.25 124.24 1dxe h VAL 161 Ca 0.00 -0.20 -0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1dxe h VAL 161 Cb 1.56 0.15 -0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1dxe h VAL 161 CO 0.28 0.11 0.00 0.44 -1.01 0.00 0.00 177.57 177.39 1dxe h ASP 162 N 0.60 0.05 -0.31 3.17 3.32 -1.84 -0.25 116.42 121.15 1dxe h ASP 162 Ca 0.44 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1dxe h ASP 162 Cb 0.83 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 1dxe h ASP 162 CO -0.19 0.33 0.02 0.00 -1.72 0.00 0.00 179.24 177.67 1dxe h ALA 163 N 0.72 1.28 -0.11 3.45 0.00 -1.82 -1.03 119.26 121.75 1dxe h ALA 163 Ca 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1dxe h ALA 163 Cb 0.30 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1dxe h ALA 163 CO 0.00 0.49 -0.05 0.82 0.00 0.00 0.00 179.25 180.51 1dxe h ILE 164 N 0.61 1.31 0.00 0.00 2.04 -1.23 -2.83 117.51 117.41 1dxe h ILE 164 Ca 0.13 -1.05 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 1dxe h ILE 164 Cb 0.36 1.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 1dxe h ILE 164 CO 0.01 0.30 -0.26 0.00 0.00 0.00 0.00 178.15 178.20 1dxe h ALA 165 N 0.66 1.46 0.00 1.87 0.00 -0.84 -2.20 119.26 120.21 1dxe h ALA 165 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1dxe h ALA 165 Cb 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1dxe h ALA 165 CO 0.02 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.59 1dxe n ALA 166 N -2.44 2.25 -2.09 0.00 0.00 -0.41 -4.85 120.51 112.97 1dxe n ALA 166 Ca -0.02 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.92 1dxe n ALA 166 Cb 0.32 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.30 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 -3.02 3.19 0.18 0.00 2.01 -0.83 -4.95 115.64 112.22 1dxe s THR 167 Ca 0.13 0.79 -0.32 0.00 0.31 0.00 0.00 61.69 62.60 1dxe s THR 167 Cb 0.17 -3.51 -0.11 0.00 0.01 0.00 0.00 72.50 69.07 1dxe s THR 167 CO 0.51 0.04 1.60 -0.70 -0.69 0.00 0.00 174.62 175.38 1dxe s GLU 168 N 1.56 4.19 0.00 4.92 2.56 -1.26 -2.09 118.70 128.59 1dxe s GLU 168 Ca 0.67 2.42 0.00 0.00 0.00 0.00 0.00 54.97 58.06 1dxe s GLU 168 Cb -0.38 -3.13 0.00 0.00 2.00 0.00 0.00 34.13 32.62 1dxe s GLU 168 CO 0.30 -0.63 0.00 0.41 -0.56 0.00 0.00 175.26 174.78 1dxe n GLY 169 N 3.68 3.30 3.58 -1.50 0.00 -1.26 -4.96 105.19 108.03 1dxe n GLY 169 Ca 0.14 0.00 -0.42 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 -2.86 4.00 -0.06 1.61 1.01 -0.89 -4.28 120.40 118.93 1dxe s VAL 170 Ca 0.00 0.91 0.12 0.00 0.00 0.00 0.00 61.98 63.01 1dxe s VAL 170 Cb 0.00 -4.66 -0.06 0.00 0.00 0.00 0.00 36.38 31.66 1dxe s VAL 170 CO 0.00 -1.27 1.31 0.44 0.00 0.00 0.00 175.10 175.58 1dxe h ASP 171 N 9.75 0.00 -5.01 3.32 3.32 -1.28 -3.48 116.42 123.04 1dxe h ASP 171 Ca -0.25 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.73 1dxe h ASP 171 Cb 1.06 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.43 1dxe h ASP 171 CO 1.18 0.69 0.03 -0.83 -1.72 0.00 0.00 179.24 178.59 1dxe s GLY 172 N -4.60 -0.42 -0.39 2.75 0.00 -1.08 -4.16 107.32 99.42 1dxe s GLY 172 Ca 0.02 0.80 -0.08 0.00 0.00 0.00 0.00 44.72 45.47 1dxe s GLY 172 CO 0.78 0.50 0.20 -0.42 0.00 0.00 0.00 173.10 174.16 1dxe s ILE 173 N -1.75 4.00 -0.16 0.90 -1.09 -0.30 -1.84 121.20 120.95 1dxe s ILE 173 Ca -0.09 -1.34 -0.07 0.00 -2.23 0.00 0.00 60.65 56.92 1dxe s ILE 173 Cb -0.01 -3.40 -0.04 0.00 -1.58 0.00 0.00 42.46 37.42 1dxe s ILE 173 CO 0.04 -0.40 0.08 0.12 -1.23 0.00 0.00 174.94 173.55 1dxe s PHE 174 N 1.40 3.31 -0.20 3.97 5.36 0.50 -0.54 117.98 131.78 1dxe s PHE 174 Ca 0.02 0.19 -0.13 0.00 -0.96 0.00 0.00 56.93 56.05 1dxe s PHE 174 Cb -0.22 -2.04 -0.05 0.00 -0.34 0.00 0.00 43.02 40.38 1dxe s PHE 174 CO 0.02 0.29 0.26 0.08 -1.46 0.00 0.00 175.22 174.41 1dxe s VAL 175 N 0.03 5.31 -0.58 3.12 1.01 -0.04 -0.14 120.40 129.11 1dxe s VAL 175 Ca 0.06 0.43 -0.16 0.00 0.00 0.00 0.00 61.98 62.32 1dxe s VAL 175 Cb -0.12 -3.60 0.14 0.00 0.00 0.00 0.00 36.38 32.80 1dxe s VAL 175 CO 0.01 0.35 0.54 -0.83 0.00 0.00 0.00 175.10 175.16 1dxe s GLY 176 N 0.77 2.14 0.19 4.51 0.00 -1.19 -3.55 107.32 110.19 1dxe s GLY 176 Ca 0.13 -2.62 -0.15 0.00 0.00 0.00 0.00 44.72 42.09 1dxe s GLY 176 CO 0.04 1.22 1.65 -0.56 0.00 0.00 0.00 173.10 175.46 1dxe h PRO 177 N 8.77 0.02 -0.22 2.90 0.13 -1.90 -1.81 132.00 139.90 1dxe h PRO 177 Ca -0.25 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.87 1dxe h PRO 177 Cb 1.09 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1dxe h PRO 177 CO 1.01 0.01 0.09 0.77 -0.23 0.00 0.00 178.00 179.65 1dxe h SER 178 N 0.02 0.30 0.16 1.44 0.02 -1.94 -0.32 113.55 113.24 1dxe h SER 178 Ca 0.25 -0.16 -0.15 0.00 -0.84 0.00 0.00 61.79 60.90 1dxe h SER 178 Cb 0.39 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1dxe h SER 178 CO -0.52 0.37 -0.54 0.44 -1.14 0.00 0.00 176.83 175.44 1dxe h ASP 179 N 0.20 0.45 -0.43 3.07 3.32 -1.83 -2.15 116.42 119.05 1dxe h ASP 179 Ca 0.07 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 1dxe h ASP 179 Cb 0.16 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1dxe h ASP 179 CO -0.01 0.91 0.04 0.25 -1.72 0.00 0.00 179.24 178.71 1dxe h LEU 180 N 0.32 0.71 -0.30 1.55 5.85 -1.20 0.04 115.31 122.28 1dxe h LEU 180 Ca 0.01 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1dxe h LEU 180 Cb 1.05 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1dxe h LEU 180 CO 0.09 0.81 0.19 0.00 -0.34 0.00 0.00 178.44 179.20 1dxe h ALA 181 N 0.93 0.38 -0.67 1.25 0.00 -0.98 -1.46 119.26 118.71 1dxe h ALA 181 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1dxe h ALA 181 Cb 0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1dxe h ALA 181 CO 0.01 -0.14 0.42 0.00 0.00 0.00 0.00 179.25 179.55 1dxe h ALA 182 N 1.09 0.86 0.00 0.00 0.00 -1.22 0.25 119.26 120.24 1dxe h ALA 182 Ca 0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1dxe h ALA 182 Cb -0.02 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1dxe h ALA 182 CO -0.02 0.31 -0.11 0.00 0.00 0.00 0.00 179.25 179.42 1dxe h ALA 183 N 1.22 1.76 -0.48 0.00 0.00 -0.57 -1.77 119.26 119.42 1dxe h ALA 183 Ca 0.24 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1dxe h ALA 183 Cb -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1dxe h ALA 183 CO -0.05 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.62 1dxe n LEU 184 N -4.32 3.25 -0.25 0.00 4.77 -0.58 -4.71 117.00 115.15 1dxe n LEU 184 Ca -0.03 -1.63 -0.03 0.00 -0.03 0.00 0.00 56.01 54.29 1dxe n LEU 184 Cb 0.19 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1dxe n LEU 184 CO 0.35 0.64 -0.03 0.61 -1.33 0.00 0.00 177.39 177.63 1dxe n GLY 185 N 1.05 0.40 2.55 -0.72 0.00 -0.66 -4.97 105.19 102.84 1dxe n GLY 185 Ca 0.18 -0.86 -0.17 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.52 1.75 -1.63 1.61 8.25 0.82 -5.00 115.22 117.50 1dxe n HIS 186 Ca -0.03 -3.23 -0.51 0.00 -0.26 0.00 0.00 57.72 53.70 1dxe n HIS 186 Cb 0.33 -0.34 -0.05 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.10 2.27 -0.55 2.41 7.94 -1.24 -0.76 117.00 126.97 1dxe n LEU 187 Ca 0.22 1.09 -0.07 0.00 -1.11 0.00 0.00 56.01 56.14 1dxe n LEU 187 Cb 0.70 -1.27 -0.03 0.00 0.53 0.00 0.00 43.42 43.36 1dxe n LEU 187 CO 0.28 -0.69 -0.07 0.61 -1.11 0.00 0.00 177.39 176.41 1dxe n GLY 188 N 3.09 0.88 2.23 -3.96 0.00 -1.26 -4.92 105.19 101.25 1dxe n GLY 188 Ca 0.19 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.04 0.42 0.19 1.61 4.05 0.06 -4.93 115.26 116.63 1dxe n ASN 189 Ca -0.07 -2.96 0.14 0.00 0.45 0.00 0.00 54.58 52.14 1dxe n ASN 189 Cb 0.33 -0.46 0.66 0.00 1.23 0.00 0.00 39.78 41.54 1dxe n ASN 189 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1dxe h ALA 190 N 3.30 1.00 0.00 5.20 0.00 -1.87 -2.23 119.26 124.66 1dxe h ALA 190 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1dxe h ALA 190 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1dxe h ALA 190 CO 0.47 0.00 0.00 0.43 0.00 0.00 0.00 179.25 180.15 1dxe n SER 191 N -2.50 0.00 -4.77 0.00 7.64 -1.26 -4.05 113.62 108.68 1dxe n SER 191 Ca -0.00 0.13 -0.41 0.00 1.01 0.00 0.00 58.87 59.60 1dxe n SER 191 Cb 0.16 -0.37 0.01 0.00 -1.01 0.00 0.00 64.21 62.99 1dxe n SER 191 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1dxe n HIS 192 N -1.37 2.90 -0.33 1.43 -0.00 -0.84 -4.73 115.22 112.27 1dxe n HIS 192 Ca 0.11 0.44 0.12 0.00 0.46 0.00 0.00 57.72 58.85 1dxe n HIS 192 Cb 0.27 -2.51 0.30 0.00 -0.12 0.00 0.00 29.99 27.94 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 2.69 0.64 -0.75 1.57 0.11 -1.91 -0.80 132.00 133.55 1dxe h PRO 193 Ca -0.51 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 65.66 1dxe h PRO 193 Cb 1.25 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 32.15 1dxe h PRO 193 CO 0.63 0.42 0.39 -0.44 -0.21 0.00 0.00 178.00 178.79 1dxe h ASP 194 N 0.66 0.53 -0.08 -2.05 3.32 -1.95 0.86 116.42 117.71 1dxe h ASP 194 Ca 0.56 0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.57 1dxe h ASP 194 Cb 0.91 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1dxe h ASP 194 CO -0.41 0.30 -0.32 0.58 -1.72 0.00 0.00 179.24 177.67 1dxe h VAL 195 N 0.66 1.41 -0.96 -1.35 2.07 -1.47 -2.70 116.25 113.92 1dxe h VAL 195 Ca 0.37 -1.70 0.07 0.00 0.82 0.00 0.00 66.70 66.25 1dxe h VAL 195 Cb 0.37 2.27 -0.07 0.00 -1.52 0.00 0.00 31.29 32.35 1dxe h VAL 195 CO -0.26 0.49 0.61 1.56 0.02 0.00 0.00 177.57 179.99 1dxe h GLN 196 N -0.11 1.07 -0.70 1.57 1.08 -0.80 -0.71 115.11 116.51 1dxe h GLN 196 Ca -0.02 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.06 1dxe h GLN 196 Cb 0.96 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 28.12 1dxe h GLN 196 CO 0.07 0.71 0.23 0.87 -0.95 0.00 0.00 178.83 179.75 1dxe h LYS 197 N 1.11 1.09 -0.52 1.46 6.56 -0.84 -1.88 116.57 123.54 1dxe h LYS 197 Ca 0.42 -0.23 -0.10 0.00 -1.06 0.00 0.00 60.65 59.68 1dxe h LYS 197 Cb 0.18 -0.16 -0.02 0.00 -0.57 0.00 0.00 32.23 31.66 1dxe h LYS 197 CO -0.18 0.93 -0.06 0.00 -2.06 0.00 0.00 179.45 178.09 1dxe h ALA 198 N 1.10 0.91 0.04 3.86 0.00 -0.98 -1.55 119.26 122.64 1dxe h ALA 198 Ca 0.23 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1dxe h ALA 198 Cb 0.29 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1dxe h ALA 198 CO -0.01 0.64 -0.02 0.82 0.00 0.00 0.00 179.25 180.68 1dxe h ILE 199 N 0.85 1.02 -0.78 0.00 2.04 -0.87 0.68 117.51 120.45 1dxe h ILE 199 Ca 0.15 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1dxe h ILE 199 Cb 0.58 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1dxe h ILE 199 CO 0.04 0.05 0.50 -0.61 0.00 0.00 0.00 178.15 178.12 1dxe h GLN 200 N -0.13 0.93 -0.46 2.37 4.15 -1.24 -0.29 115.11 120.43 1dxe h GLN 200 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1dxe h GLN 200 Cb 0.12 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 1dxe h GLN 200 CO 0.01 0.62 0.31 1.25 -1.93 0.00 0.00 178.83 179.08 1dxe h HIS 201 N 0.96 0.59 -0.64 3.99 2.76 -0.91 -0.05 115.15 121.85 1dxe h HIS 201 Ca 0.32 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1dxe h HIS 201 Cb 0.03 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 28.76 1dxe h HIS 201 CO -0.03 0.37 0.41 0.82 -1.30 0.00 0.00 177.93 178.20 1dxe h ILE 202 N 0.63 1.17 -0.61 6.26 2.04 -0.10 -0.90 117.51 126.00 1dxe h ILE 202 Ca 0.17 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1dxe h ILE 202 Cb -0.07 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.24 1dxe h ILE 202 CO -0.04 0.17 0.37 -0.26 0.00 0.00 0.00 178.15 178.40 1dxe h PHE 203 N 0.87 0.80 -0.49 1.37 -1.00 -0.60 -1.46 116.94 116.42 1dxe h PHE 203 Ca 0.23 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.01 1dxe h PHE 203 Cb -0.07 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.20 1dxe h PHE 203 CO -0.02 0.54 0.28 -0.91 -1.61 0.00 0.00 178.31 176.59 1dxe h ASN 204 N 0.82 0.60 0.45 2.17 2.35 -0.45 -2.13 115.58 119.39 1dxe h ASN 204 Ca 0.22 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 1dxe h ASN 204 Cb -0.03 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1dxe h ASN 204 CO -0.04 0.50 -0.46 0.03 -1.65 0.00 0.00 177.43 175.81 1dxe h ARG 205 N 0.65 0.01 -0.24 0.81 2.47 -0.94 -1.03 114.38 116.12 1dxe h ARG 205 Ca 0.17 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.86 1dxe h ARG 205 Cb 0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 1dxe h ARG 205 CO -0.03 0.47 0.03 0.00 0.56 0.00 0.00 179.97 181.01 1dxe h ALA 206 N 1.52 0.32 -0.89 0.04 0.00 -1.00 -2.83 119.26 116.42 1dxe h ALA 206 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1dxe h ALA 206 Cb 0.82 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1dxe h ALA 206 CO 0.06 0.00 0.54 1.03 0.00 0.00 0.00 179.25 180.89 1dxe h SER 207 N 0.20 1.06 0.04 0.00 0.87 -1.09 -0.47 113.55 114.16 1dxe h SER 207 Ca 0.07 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1dxe h SER 207 Cb 0.34 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1dxe h SER 207 CO 0.01 0.81 -0.03 0.00 -0.53 0.00 0.00 176.83 177.09 1dxe h ALA 208 N 1.37 1.76 -0.47 6.23 0.00 -0.97 -1.62 119.26 125.55 1dxe h ALA 208 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1dxe h ALA 208 Cb -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1dxe h ALA 208 CO -0.06 0.04 0.00 0.72 0.00 0.00 0.00 179.25 179.95 1dxe n HIS 209 N -4.22 1.50 -1.69 0.00 8.25 -0.82 -4.95 115.22 113.29 1dxe n HIS 209 Ca -0.03 -0.75 -0.15 0.00 -0.26 0.00 0.00 57.72 56.53 1dxe n HIS 209 Cb 0.11 -0.37 -0.05 0.00 1.12 0.00 0.00 29.99 30.80 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 0.31 1.04 3.53 -1.41 0.00 -0.61 -4.85 105.19 103.19 1dxe n GLY 210 Ca 0.24 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.72 2.64 0.68 1.61 -0.14 -0.25 -5.00 119.74 115.56 1dxe s LYS 211 Ca 0.00 -0.62 -0.13 0.00 -1.36 0.00 0.00 55.97 53.86 1dxe s LYS 211 Cb 0.00 -2.49 0.01 0.00 -1.68 0.00 0.00 37.83 33.67 1dxe s LYS 211 CO 0.00 0.64 1.08 -1.25 -0.76 0.00 0.00 175.35 175.06 1dxe s PRO 212 N -0.76 2.81 0.24 -1.68 0.04 -1.26 -3.49 135.00 130.90 1dxe s PRO 212 Ca 0.12 1.17 0.11 0.00 0.04 0.00 0.00 61.00 62.43 1dxe s PRO 212 Cb -0.11 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.42 1dxe s PRO 212 CO 0.01 -1.22 -0.13 -1.54 0.04 0.00 0.00 177.00 174.16 1dxe s SER 213 N -3.17 3.98 0.27 6.66 1.04 -1.26 -1.15 113.70 120.07 1dxe s SER 213 Ca 0.62 -0.79 -0.05 0.00 0.48 0.00 0.00 55.95 56.20 1dxe s SER 213 Cb -0.17 -0.54 -0.01 0.00 0.10 0.00 0.00 66.02 65.40 1dxe s SER 213 CO 0.48 0.06 0.38 -0.83 0.98 0.00 0.00 173.24 174.31 1dxe s GLY 214 N -3.26 1.17 -0.01 7.32 0.00 0.30 -0.45 107.32 112.39 1dxe s GLY 214 Ca 0.28 -1.36 -0.29 0.00 0.00 0.00 0.00 44.72 43.35 1dxe s GLY 214 CO 0.16 -0.99 0.95 -1.50 0.00 0.00 0.00 173.10 171.71 1dxe s ILE 215 N -3.70 0.00 -0.22 0.90 2.07 -1.08 -0.86 121.20 118.31 1dxe s ILE 215 Ca 0.30 -0.08 -0.08 0.00 -1.41 0.00 0.00 60.65 59.38 1dxe s ILE 215 Cb 0.02 -1.14 -0.04 0.00 0.13 0.00 0.00 42.46 41.43 1dxe s ILE 215 CO 0.14 0.00 0.07 -0.22 -1.91 0.00 0.00 174.94 173.03 1dxe s LEU 216 N -2.51 3.64 -0.36 8.50 2.96 -1.23 -1.33 118.68 128.36 1dxe s LEU 216 Ca 0.07 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 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 -0.07 0.06 0.32 0.00 -1.32 0.00 0.00 176.35 175.34 1dxe s ALA 217 N 1.03 -0.05 -0.46 5.97 0.00 0.14 -4.68 121.76 123.72 1dxe s ALA 217 Ca 0.04 -1.16 0.23 0.00 0.00 0.00 0.00 51.96 51.07 1dxe s ALA 217 Cb -0.14 -1.90 0.99 0.00 0.00 0.00 0.00 23.12 22.08 1dxe s ALA 217 CO 0.03 -2.08 1.70 -0.35 0.00 0.00 0.00 175.76 175.06 1dxe n PRO 218 N 4.30 0.19 -3.40 0.00 -0.04 -1.26 -4.30 135.00 130.49 1dxe n PRO 218 Ca 0.10 0.44 -0.39 0.00 -0.04 0.00 0.00 63.50 63.61 1dxe n PRO 218 Cb 0.43 -1.88 -0.09 0.00 -0.04 0.00 0.00 33.50 31.92 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 -3.34 5.18 0.22 0.52 1.01 -1.26 -4.77 120.40 117.97 1dxe s VAL 219 Ca 0.04 0.58 -0.10 0.00 0.00 0.00 0.00 61.98 62.50 1dxe s VAL 219 Cb 0.09 -3.70 0.23 0.00 0.00 0.00 0.00 36.38 33.00 1dxe s VAL 219 CO 0.37 0.18 1.65 -0.08 0.00 0.00 0.00 175.10 177.22 1dxe h GLU 220 N 8.04 0.10 -0.89 2.72 4.81 -1.89 -0.17 114.58 127.30 1dxe h GLU 220 Ca -0.32 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 58.95 1dxe h GLU 220 Cb 1.16 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.46 1dxe h GLU 220 CO 0.65 0.07 0.56 0.00 -0.73 0.00 0.00 179.01 179.56 1dxe h ALA 221 N 1.62 1.21 -0.01 2.92 0.00 -1.95 -0.01 119.26 123.04 1dxe h ALA 221 Ca 0.35 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1dxe h ALA 221 Cb 0.59 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1dxe h ALA 221 CO -0.59 0.34 0.00 -0.44 0.00 0.00 0.00 179.25 178.57 1dxe h ASP 222 N 1.04 0.02 -0.75 0.00 3.32 -1.46 -1.81 116.42 116.78 1dxe h ASP 222 Ca 0.38 -0.27 0.07 0.00 0.02 0.00 0.00 57.03 57.22 1dxe h ASP 222 Cb 0.12 -0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.61 1dxe h ASP 222 CO -0.16 0.29 0.43 0.00 -1.72 0.00 0.00 179.24 178.08 1dxe h ALA 223 N 0.73 1.02 -0.29 3.45 0.00 -0.68 -0.40 119.26 123.10 1dxe h ALA 223 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1dxe h ALA 223 Cb 0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1dxe h ALA 223 CO 0.00 0.11 -0.21 0.00 0.00 0.00 0.00 179.25 179.15 1dxe h ARG 224 N 0.77 0.55 -0.29 0.00 3.08 -0.93 -1.18 114.38 116.38 1dxe h ARG 224 Ca 0.34 -0.19 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 1dxe h ARG 224 Cb 0.23 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1dxe h ARG 224 CO -0.20 0.72 -0.11 -0.09 -1.07 0.00 0.00 179.97 179.22 1dxe h ARG 225 N 0.49 0.59 -0.50 0.04 2.43 -0.46 -1.65 114.38 115.31 1dxe h ARG 225 Ca 0.08 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 58.95 1dxe h ARG 225 Cb 0.63 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1dxe h ARG 225 CO 0.04 0.81 0.12 1.88 -1.51 0.00 0.00 179.97 181.32 1dxe h TYR 226 N 0.34 0.78 -0.60 2.20 0.05 -0.91 0.00 116.97 118.85 1dxe h TYR 226 Ca 0.07 -0.07 -0.09 0.00 0.05 0.00 0.00 58.73 58.69 1dxe h TYR 226 Cb 0.62 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 38.10 1dxe h TYR 226 CO 0.06 0.66 0.03 -0.07 -1.05 0.00 0.00 178.16 177.79 1dxe h LEU 227 N 0.74 1.01 -0.91 3.88 3.38 -1.07 -1.71 115.31 120.62 1dxe h LEU 227 Ca 0.17 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1dxe h LEU 227 Cb 0.27 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1dxe h LEU 227 CO -0.00 1.05 0.18 -0.33 0.09 0.00 0.00 178.44 179.43 1dxe h GLU 228 N 0.93 0.98 0.00 1.13 4.39 -0.49 -1.28 114.58 120.24 1dxe h GLU 228 Ca 0.17 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1dxe h GLU 228 Cb 0.52 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1dxe h GLU 228 CO 0.03 0.85 0.00 -1.49 -1.16 0.00 0.00 179.01 177.24 1dxe h TRP 229 N 0.95 0.00 0.00 4.33 4.06 -0.67 -3.46 115.95 121.16 1dxe h TRP 229 Ca 0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.16 1dxe h TRP 229 Cb 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.46 1dxe h TRP 229 CO 0.02 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.31 1dxe n GLY 230 N -0.47 0.95 3.77 1.49 0.00 -0.48 -4.94 105.19 105.50 1dxe n GLY 230 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 3.42 -0.10 4.61 0.00 -0.68 -4.65 121.76 122.36 1dxe s ALA 231 Ca 0.00 1.11 0.03 0.00 0.00 0.00 0.00 51.96 53.11 1dxe s ALA 231 Cb 0.00 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 1dxe s ALA 231 CO 0.00 -0.49 -0.05 0.25 0.00 0.00 0.00 175.76 175.47 1dxe n THR 232 N 0.81 0.62 -3.43 0.00 -2.24 0.40 -4.45 114.28 106.00 1dxe n THR 232 Ca 0.00 -0.29 -0.44 0.00 -2.27 0.00 0.00 64.05 61.05 1dxe n THR 232 Cb 0.43 -0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 67.76 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 -2.22 3.51 -0.19 4.78 -0.71 -1.11 -0.38 117.98 121.66 1dxe s PHE 233 Ca -0.11 -1.90 -0.02 0.00 -1.04 0.00 0.00 56.93 53.86 1dxe s PHE 233 Cb 0.03 -3.66 -0.01 0.00 -1.21 0.00 0.00 43.02 38.18 1dxe s PHE 233 CO 0.29 -0.98 -0.09 0.08 -1.34 0.00 0.00 175.22 173.19 1dxe s VAL 234 N 0.74 3.09 -0.21 -2.49 1.01 -0.81 -2.63 120.40 119.10 1dxe s VAL 234 Ca 0.11 -0.60 -0.24 0.00 0.00 0.00 0.00 61.98 61.25 1dxe s VAL 234 Cb -0.20 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1dxe s VAL 234 CO -0.03 0.47 0.80 0.00 0.00 0.00 0.00 175.10 176.33 1dxe s ALA 235 N 1.19 3.59 -1.79 5.51 0.00 -0.44 -1.04 121.76 128.78 1dxe s ALA 235 Ca 0.02 -0.10 0.20 0.00 0.00 0.00 0.00 51.96 52.08 1dxe s ALA 235 Cb -0.14 -3.21 0.63 0.00 0.00 0.00 0.00 23.12 20.40 1dxe s ALA 235 CO -0.03 -0.77 1.53 1.33 0.00 0.00 0.00 175.76 177.82 1dxe n VAL 236 N 4.99 1.13 -3.65 0.00 0.24 -0.03 -0.68 118.33 120.34 1dxe n VAL 236 Ca 0.04 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.36 1dxe n VAL 236 Cb 0.48 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 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 1.49 -1.21 3.09 7.63 0.00 -1.26 -4.30 105.19 110.63 1dxe n GLY 237 Ca 0.24 -1.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 0.14 0.39 1.61 1.04 -1.26 -0.42 113.70 111.20 1dxe s SER 238 Ca 0.00 -0.43 0.06 0.00 0.48 0.00 0.00 55.95 56.06 1dxe s SER 238 Cb 0.00 0.20 0.78 0.00 0.10 0.00 0.00 66.02 67.09 1dxe s SER 238 CO 0.00 -0.43 2.02 -2.24 0.98 0.00 0.00 173.24 173.57 1dxe h ASP 239 N 4.00 0.52 -0.08 7.02 2.03 -1.37 0.13 116.42 128.67 1dxe h ASP 239 Ca -0.32 -0.03 -0.03 0.00 -0.73 0.00 0.00 57.03 55.93 1dxe h ASP 239 Cb 1.19 -0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 39.56 1dxe h ASP 239 CO 0.46 0.41 -0.05 0.25 -1.03 0.00 0.00 179.24 179.28 1dxe h LEU 240 N 0.60 0.19 -0.57 0.15 5.85 -1.95 -0.45 115.31 119.13 1dxe h LEU 240 Ca 0.16 -0.44 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 1dxe h LEU 240 Cb -0.00 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1dxe h LEU 240 CO -0.03 0.59 0.16 1.23 -0.34 0.00 0.00 178.44 180.05 1dxe h GLY 241 N -0.21 0.96 0.97 3.75 0.00 -1.88 -0.08 103.07 106.58 1dxe h GLY 241 Ca 0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 1dxe h GLY 241 CO 0.01 0.55 0.18 -2.08 0.00 0.00 0.00 176.54 175.20 1dxe h VAL 242 N 0.80 1.22 -0.28 4.60 2.07 -0.99 -1.60 116.25 122.07 1dxe h VAL 242 Ca 0.18 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.94 1dxe h VAL 242 Cb 0.31 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1dxe h VAL 242 CO -0.00 0.27 0.02 0.15 0.02 0.00 0.00 177.57 178.02 1dxe h PHE 243 N 0.68 0.53 -0.12 1.57 3.57 -0.85 -0.32 116.94 121.99 1dxe h PHE 243 Ca 0.16 -0.09 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1dxe h PHE 243 Cb 0.24 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.83 1dxe h PHE 243 CO 0.01 0.62 0.07 -0.09 -2.23 0.00 0.00 178.31 176.68 1dxe h ARG 244 N 0.28 0.14 -0.16 1.11 9.65 -0.95 -1.55 114.38 122.91 1dxe h ARG 244 Ca 0.08 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1dxe h ARG 244 Cb 0.40 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 1dxe h ARG 244 CO 0.01 0.09 0.04 1.03 2.80 0.00 0.00 179.97 183.95 1dxe h SER 245 N 0.14 0.24 -0.65 -3.80 0.87 -1.24 -2.30 113.55 106.82 1dxe h SER 245 Ca 0.05 -0.22 -0.07 0.00 -1.23 0.00 0.00 61.79 60.32 1dxe h SER 245 Cb 0.00 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 61.87 1dxe h SER 245 CO -0.03 0.39 0.14 0.00 -0.53 0.00 0.00 176.83 176.80 1dxe h ALA 246 N 0.85 0.99 -0.28 6.23 0.00 -1.01 -0.29 119.26 125.76 1dxe h ALA 246 Ca 0.05 -0.25 -0.18 0.00 0.00 0.00 0.00 54.91 54.53 1dxe h ALA 246 Cb 0.24 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1dxe h ALA 246 CO -0.00 0.65 -0.53 1.79 0.00 0.00 0.00 179.25 181.16 1dxe h THR 247 N 1.01 1.28 -0.61 0.00 1.35 -1.29 -1.83 112.91 112.81 1dxe h THR 247 Ca 0.21 -1.71 -0.05 0.00 -0.55 0.00 0.00 66.41 64.30 1dxe h THR 247 Cb 0.39 1.66 -0.03 0.00 -1.73 0.00 0.00 68.15 68.44 1dxe h THR 247 CO 0.01 0.56 0.17 -0.61 -0.25 0.00 0.00 175.52 175.39 1dxe h GLN 248 N 0.62 0.97 -0.42 4.72 5.75 -1.30 -2.28 115.11 123.18 1dxe h GLN 248 Ca 0.01 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.30 1dxe h GLN 248 Cb 1.13 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 29.53 1dxe h GLN 248 CO 0.12 0.87 0.28 0.87 -2.65 0.00 0.00 178.83 178.32 1dxe h LYS 249 N 0.89 0.55 -0.45 1.69 1.57 -0.96 0.60 116.57 120.46 1dxe h LYS 249 Ca 0.20 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1dxe h LYS 249 Cb 0.32 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1dxe h LYS 249 CO -0.00 0.36 0.29 1.25 -0.57 0.00 0.00 179.45 180.78 1dxe h LEU 250 N 0.56 0.52 -0.25 2.94 5.85 -1.16 -1.02 115.31 122.76 1dxe h LEU 250 Ca 0.15 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 1dxe h LEU 250 Cb -0.06 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1dxe h LEU 250 CO -0.04 0.40 0.12 0.00 -0.34 0.00 0.00 178.44 178.58 1dxe h ALA 251 N 1.15 0.32 -0.70 1.25 0.00 -1.09 -2.86 119.26 117.32 1dxe h ALA 251 Ca 0.16 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1dxe h ALA 251 Cb -0.04 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1dxe h ALA 251 CO -0.03 -0.11 0.46 -0.44 0.00 0.00 0.00 179.25 179.13 1dxe h ASP 252 N 0.27 0.73 -0.75 0.00 3.32 -0.62 -0.14 116.42 119.24 1dxe h ASP 252 Ca 0.09 -0.01 0.15 0.00 0.02 0.00 0.00 57.03 57.27 1dxe h ASP 252 Cb 0.13 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 39.46 1dxe h ASP 252 CO -0.01 0.51 0.50 0.74 -1.72 0.00 0.00 179.24 179.26 1dxe h THR 253 N 0.85 0.80 0.00 0.35 2.02 -0.95 0.83 112.91 116.81 1dxe h THR 253 Ca 0.28 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.24 1dxe h THR 253 Cb 0.06 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1dxe h THR 253 CO -0.08 0.07 -1.92 0.49 0.37 0.00 0.00 175.52 174.46 1dxe n PHE 254 N -4.48 0.00 0.55 3.16 3.01 -0.81 -4.53 117.46 114.36 1dxe n PHE 254 Ca 0.14 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.67 1dxe n PHE 254 Cb 0.53 -0.52 0.05 0.00 -0.01 0.00 0.00 39.48 39.53 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 -2.26 0.84 -0.73 -1.08 5.02 -0.13 -5.14 118.16 114.69 1dxe n LYS 255 Ca -0.09 -1.27 0.00 0.00 -2.02 0.00 0.00 58.31 54.93 1dxe n LYS 255 Cb 0.62 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 1dxe n LYS 255 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51