#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uiw s HIS 2 N 0.00 0.08 0.22 6.34 5.04 -1.26 -4.96 115.29 120.75 1uiw s HIS 2 Ca 0.00 0.24 -0.16 0.00 -1.54 0.00 0.00 55.06 53.59 1uiw s HIS 2 Cb 0.00 -0.47 -0.08 0.00 0.04 0.00 0.00 32.58 32.07 1uiw s HIS 2 CO 0.00 -0.19 0.66 -0.51 -2.34 0.00 0.00 174.74 172.36 1uiw s LEU 3 N 2.08 4.27 0.81 8.88 1.02 -1.26 -5.09 118.68 129.38 1uiw s LEU 3 Ca 0.04 1.25 -0.11 0.00 0.02 0.00 0.00 54.13 55.32 1uiw s LEU 3 Cb -0.12 -3.61 0.07 0.00 0.02 0.00 0.00 46.19 42.55 1uiw s LEU 3 CO -0.03 -0.01 1.10 0.42 0.02 0.00 0.00 176.35 177.85 1uiw s THR 4 N -1.63 3.02 0.30 5.49 -4.23 -1.26 -4.85 115.64 112.48 1uiw s THR 4 Ca 0.44 0.33 0.01 0.00 -1.18 0.00 0.00 61.69 61.29 1uiw s THR 4 Cb -0.14 -3.06 0.28 0.00 1.34 0.00 0.00 72.50 70.92 1uiw s THR 4 CO 0.20 -0.43 1.90 -0.65 -0.54 0.00 0.00 174.62 175.09 1uiw h PRO 5 N -1.13 0.99 -0.57 3.99 0.11 -1.99 -0.84 132.00 132.57 1uiw h PRO 5 Ca -0.47 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 1uiw h PRO 5 Cb 1.27 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1uiw h PRO 5 CO 0.59 0.66 0.09 0.93 -0.21 0.00 0.00 178.00 180.05 1uiw h GLU 6 N 1.02 0.94 -0.62 1.05 3.07 -2.00 -2.35 114.58 115.69 1uiw h GLU 6 Ca 0.41 -0.25 -0.04 0.00 -0.50 0.00 0.00 59.36 58.97 1uiw h GLU 6 Cb 0.26 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 1uiw h GLU 6 CO -0.17 0.90 0.22 0.93 -1.40 0.00 0.00 179.01 179.50 1uiw h GLU 7 N 0.83 0.95 -0.44 2.33 5.08 -1.80 -2.44 114.58 119.09 1uiw h GLU 7 Ca 0.17 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1uiw h GLU 7 Cb 0.42 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1uiw h GLU 7 CO 0.01 0.82 0.26 0.87 -1.00 0.00 0.00 179.01 179.98 1uiw h LYS 8 N 0.88 0.60 -0.72 2.33 1.57 -1.08 -2.05 116.57 118.10 1uiw h LYS 8 Ca 0.20 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1uiw h LYS 8 Cb 0.25 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 1uiw h LYS 8 CO -0.01 0.45 0.47 0.77 -0.57 0.00 0.00 179.45 180.56 1uiw h SER 9 N 0.58 0.83 -0.74 0.86 0.02 -1.37 -2.08 113.55 111.66 1uiw h SER 9 Ca 0.16 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1uiw h SER 9 Cb 0.00 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1uiw h SER 9 CO -0.03 0.61 0.41 0.00 -1.14 0.00 0.00 176.83 176.68 1uiw h ALA 10 N 1.26 0.94 0.16 3.77 0.00 -1.20 -1.69 119.26 122.50 1uiw h ALA 10 Ca 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1uiw h ALA 10 Cb -0.10 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.39 1uiw h ALA 10 CO -0.06 0.46 -0.08 0.28 0.00 0.00 0.00 179.25 179.85 1uiw h VAL 11 N 1.02 0.93 -0.42 0.00 2.07 -1.11 -2.88 116.25 115.85 1uiw h VAL 11 Ca 0.26 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 1uiw h VAL 11 Cb 0.03 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1uiw h VAL 11 CO -0.04 0.09 -0.11 0.71 0.02 0.00 0.00 177.57 178.24 1uiw h THR 12 N -0.39 1.25 -0.36 2.57 1.35 -1.33 -1.81 112.91 114.20 1uiw h THR 12 Ca -0.02 -1.15 -0.01 0.00 -0.55 0.00 0.00 66.41 64.68 1uiw h THR 12 Cb 0.31 1.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 1uiw h THR 12 CO 0.04 0.39 0.18 0.00 -0.25 0.00 0.00 175.52 175.87 1uiw h ALA 13 N 1.20 0.46 -0.42 6.62 0.00 -1.34 -2.59 119.26 123.19 1uiw h ALA 13 Ca 0.12 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 1uiw h ALA 13 Cb 0.57 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1uiw h ALA 13 CO 0.04 0.01 -0.26 1.25 0.00 0.00 0.00 179.25 180.29 1uiw h LEU 14 N 0.44 0.96 -1.41 0.00 5.85 -1.43 -3.26 115.31 116.46 1uiw h LEU 14 Ca 0.12 -0.42 -0.06 0.00 0.84 0.00 0.00 57.88 58.36 1uiw h LEU 14 Cb 0.11 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1uiw h LEU 14 CO -0.02 1.18 -0.30 -0.25 -0.34 0.00 0.00 178.44 178.71 1uiw h TRP 15 N 0.75 0.00 0.00 1.25 2.91 -1.21 -1.85 115.95 117.80 1uiw h TRP 15 Ca 0.09 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.11 1uiw h TRP 15 Cb 0.84 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.49 1uiw h TRP 15 CO 0.06 0.30 0.00 0.41 -1.03 0.00 0.00 178.44 178.18 1uiw n GLY 16 N -0.64 -1.00 0.73 2.65 0.00 -0.99 -1.66 105.19 104.28 1uiw n GLY 16 Ca -0.02 0.14 0.09 0.00 0.00 0.00 0.00 46.02 46.23 1uiw n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uiw n LYS 17 N -2.20 1.57 -2.93 1.61 5.02 -0.70 -5.01 118.16 115.53 1uiw n LYS 17 Ca 0.00 -1.63 -0.40 0.00 -2.02 0.00 0.00 58.31 54.25 1uiw n LYS 17 Cb 0.11 -1.34 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 1uiw n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1uiw s VAL 18 N -1.38 4.95 -0.66 -0.18 1.01 -0.66 -5.02 120.40 118.47 1uiw s VAL 18 Ca 0.22 1.67 -0.24 0.00 0.00 0.00 0.00 61.98 63.63 1uiw s VAL 18 Cb 0.15 -4.14 0.05 0.00 0.00 0.00 0.00 36.38 32.44 1uiw s VAL 18 CO 0.22 0.23 1.05 0.21 0.00 0.00 0.00 175.10 176.81 1uiw s ASN 19 N 0.77 6.20 0.31 3.32 3.84 -1.26 -4.92 114.94 123.20 1uiw s ASN 19 Ca 0.42 -0.73 0.03 0.00 0.21 0.00 0.00 52.86 52.79 1uiw s ASN 19 Cb -0.19 -2.46 0.50 0.00 -0.55 0.00 0.00 41.25 38.55 1uiw s ASN 19 CO 0.22 -1.51 1.82 0.58 -2.79 0.00 0.00 177.10 175.41 1uiw h VAL 20 N 6.00 1.22 0.52 -5.21 2.07 -1.96 -1.46 116.25 117.44 1uiw h VAL 20 Ca -0.28 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 1uiw h VAL 20 Cb 1.07 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1uiw h VAL 20 CO 1.19 0.32 -0.36 0.44 0.02 0.00 0.00 177.57 179.18 1uiw h ASP 21 N 0.54 -0.92 0.16 0.57 5.19 -1.91 -0.92 116.42 119.13 1uiw h ASP 21 Ca 0.11 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.57 1uiw h ASP 21 Cb 0.43 0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.22 1uiw h ASP 21 CO 0.02 -0.54 -0.08 -0.33 -3.12 0.00 0.00 179.24 175.19 1uiw h GLU 22 N -0.85 -0.20 -0.52 3.56 5.08 -1.95 -2.67 114.58 117.02 1uiw h GLU 22 Ca -0.06 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1uiw h GLU 22 Cb 0.71 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1uiw h GLU 22 CO 0.04 -0.01 0.10 0.28 -1.00 0.00 0.00 179.01 178.41 1uiw h VAL 23 N -0.36 1.23 -0.27 3.13 2.07 -1.31 -1.75 116.25 118.99 1uiw h VAL 23 Ca -0.02 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.61 1uiw h VAL 23 Cb 0.28 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 1uiw h VAL 23 CO 0.04 0.32 0.07 1.23 0.02 0.00 0.00 177.57 179.24 1uiw h GLY 24 N 0.97 0.45 1.01 2.17 0.00 -1.16 -0.65 103.07 105.86 1uiw h GLY 24 Ca 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1uiw h GLY 24 CO 0.00 0.26 0.36 -1.33 0.00 0.00 0.00 176.54 175.84 1uiw h GLY 25 N 0.26 1.09 1.01 4.60 0.00 -1.32 -2.21 103.07 106.49 1uiw h GLY 25 Ca 0.08 -0.52 -0.11 0.00 0.00 0.00 0.00 47.33 46.78 1uiw h GLY 25 CO -0.00 0.50 -0.19 -2.09 0.00 0.00 0.00 176.54 174.75 1uiw h GLU 26 N 0.99 0.80 -0.18 4.80 4.57 -1.24 -1.95 114.58 122.37 1uiw h GLU 26 Ca 0.25 -0.35 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 1uiw h GLU 26 Cb 0.08 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1uiw h GLU 26 CO -0.03 0.98 0.01 0.00 -1.18 0.00 0.00 179.01 178.78 1uiw h ALA 27 N 0.80 0.25 -0.60 2.92 0.00 -1.04 -1.03 119.26 120.56 1uiw h ALA 27 Ca 0.08 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1uiw h ALA 27 Cb 0.75 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1uiw h ALA 27 CO 0.06 -0.05 0.07 1.25 0.00 0.00 0.00 179.25 180.57 1uiw h LEU 28 N 0.08 0.98 -0.18 0.00 5.85 -1.45 -1.90 115.31 118.68 1uiw h LEU 28 Ca 0.05 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1uiw h LEU 28 Cb 0.37 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1uiw h LEU 28 CO 0.01 1.01 0.12 1.23 -0.34 0.00 0.00 178.44 180.46 1uiw h GLY 29 N 0.91 0.26 1.76 3.75 0.00 -1.34 -2.54 103.07 105.88 1uiw h GLY 29 Ca 0.18 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.35 1uiw h GLY 29 CO 0.02 0.10 -0.11 3.21 0.00 0.00 0.00 176.54 179.76 1uiw h ARG 30 N 0.23 0.30 -0.52 4.80 3.08 -1.13 -2.00 114.38 119.14 1uiw h ARG 30 Ca 0.07 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.11 1uiw h ARG 30 Cb 0.00 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 29.95 1uiw h ARG 30 CO -0.01 0.42 0.20 1.25 -1.07 0.00 0.00 179.97 180.76 1uiw h LEU 31 N 0.28 0.22 -0.86 3.04 5.85 -1.05 0.17 115.31 122.97 1uiw h LEU 31 Ca 0.06 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 1uiw h LEU 31 Cb 0.38 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1uiw h LEU 31 CO 0.02 0.15 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.76 1uiw h LEU 32 N 0.39 0.00 0.08 2.25 3.38 -1.03 -1.83 115.31 118.55 1uiw h LEU 32 Ca 0.25 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 1uiw h LEU 32 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1uiw h LEU 32 CO -0.24 0.44 -0.57 0.58 0.09 0.00 0.00 178.44 178.75 1uiw h VAL 33 N 0.00 1.57 0.12 1.22 2.07 -1.15 -3.31 116.25 116.77 1uiw h VAL 33 Ca -0.00 -2.45 -0.27 0.00 0.82 0.00 0.00 66.70 64.80 1uiw h VAL 33 Cb 0.97 3.21 0.00 0.00 -1.52 0.00 0.00 31.29 33.96 1uiw h VAL 33 CO 0.06 0.66 -1.22 0.58 0.02 0.00 0.00 177.57 177.67 1uiw h VAL 34 N -0.62 1.50 -2.35 2.57 2.07 -1.02 -3.37 116.25 115.03 1uiw h VAL 34 Ca -0.11 -3.03 -0.60 0.00 0.82 0.00 0.00 66.70 63.79 1uiw h VAL 34 Cb 1.40 2.91 -0.41 0.00 -1.52 0.00 0.00 31.29 33.67 1uiw h VAL 34 CO 0.08 0.88 -0.67 -1.22 0.02 0.00 0.00 177.57 176.66 1uiw n TYR 35 N -3.55 2.84 0.29 1.57 4.01 -0.69 -5.00 117.16 116.64 1uiw n TYR 35 Ca -0.08 -4.07 0.15 0.00 -0.16 0.00 0.00 57.90 53.73 1uiw n TYR 35 Cb 1.01 -0.51 0.70 0.00 -0.31 0.00 0.00 39.34 40.23 1uiw n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1uiw h PRO 36 N 4.45 0.00 -0.02 -0.72 0.13 -1.74 -1.55 132.00 132.55 1uiw h PRO 36 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1uiw h PRO 36 Cb 0.72 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 1uiw h PRO 36 CO 0.74 0.00 0.03 0.11 -0.23 0.00 0.00 178.00 178.66 1uiw h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -2.23 115.95 113.45 1uiw h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1uiw h TRP 37 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.44 1uiw h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1uiw n THR 38 N -3.45 0.95 0.23 0.12 -2.24 -0.58 -2.61 114.28 106.70 1uiw n THR 38 Ca -0.03 0.31 0.13 0.00 -2.27 0.00 0.00 64.05 62.20 1uiw n THR 38 Cb 0.11 -1.22 0.67 0.00 -2.10 0.00 0.00 70.33 67.79 1uiw n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1uiw h GLN 39 N 0.00 0.00 -0.36 -0.78 4.20 -1.62 -3.24 115.11 113.30 1uiw h GLN 39 Ca 0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 1uiw h GLN 39 Cb 0.28 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1uiw h GLN 39 CO 0.00 0.00 0.39 0.07 -0.67 0.00 0.00 178.83 178.62 1uiw h ARG 40 N 0.00 0.00 -0.00 1.46 0.11 -1.74 -1.29 114.38 112.92 1uiw h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1uiw h ARG 40 Cb 0.09 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.17 1uiw h ARG 40 CO 0.00 0.00 -0.31 1.19 0.10 0.00 0.00 179.97 180.95 1uiw n PHE 41 N -3.75 0.00 -1.84 4.08 3.72 -1.22 -4.38 117.46 114.06 1uiw n PHE 41 Ca 0.06 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.47 1uiw n PHE 41 Cb 0.55 -0.22 0.15 0.00 -0.94 0.00 0.00 39.48 39.03 1uiw n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1uiw n PHE 42 N -1.11 0.49 -0.34 1.38 3.72 -0.48 -4.83 117.46 116.29 1uiw n PHE 42 Ca 0.09 -1.49 0.16 0.00 -0.05 0.00 0.00 57.45 56.16 1uiw n PHE 42 Cb 0.33 -0.25 0.37 0.00 -0.94 0.00 0.00 39.48 38.99 1uiw n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1uiw h GLU 43 N 1.25 0.63 0.00 -1.08 5.08 -1.77 -1.93 114.58 116.77 1uiw h GLU 43 Ca 0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1uiw h GLU 43 Cb 1.23 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1uiw h GLU 43 CO 0.14 0.42 0.00 -1.13 -1.00 0.00 0.00 179.01 177.44 1uiw n SER 44 N -4.76 0.00 -0.05 1.42 3.41 -1.26 -3.89 113.62 108.48 1uiw n SER 44 Ca 0.24 -0.27 0.13 0.00 -0.26 0.00 0.00 58.87 58.71 1uiw n SER 44 Cb 0.66 -0.20 0.43 0.00 -0.26 0.00 0.00 64.21 64.84 1uiw n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1uiw n PHE 45 N -1.20 0.00 -1.17 7.33 3.01 -0.72 -5.05 117.46 119.65 1uiw n PHE 45 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.60 1uiw n PHE 45 Cb 0.17 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 1uiw n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1uiw n GLY 46 N 1.44 0.73 3.63 1.37 0.00 -1.25 -4.82 105.19 106.29 1uiw n GLY 46 Ca 0.08 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 1uiw n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1uiw s ASP 47 N -4.00 6.36 -0.15 1.61 2.15 -1.26 -4.87 116.67 116.51 1uiw s ASP 47 Ca 0.00 1.54 0.14 0.00 0.43 0.00 0.00 52.55 54.66 1uiw s ASP 47 Cb 0.00 -2.53 0.37 0.00 -0.30 0.00 0.00 42.92 40.46 1uiw s ASP 47 CO 0.00 -1.29 1.19 0.18 -0.17 0.00 0.00 175.17 175.08 1uiw n LEU 48 N 8.54 2.22 0.01 -1.34 4.77 -1.26 -4.30 117.00 125.64 1uiw n LEU 48 Ca 0.19 -3.29 0.12 0.00 -0.03 0.00 0.00 56.01 53.00 1uiw n LEU 48 Cb 0.46 -0.40 0.17 0.00 -2.33 0.00 0.00 43.42 41.32 1uiw n LEU 48 CO 0.65 1.07 0.32 -1.54 -1.33 0.00 0.00 177.39 176.56 1uiw n SER 49 N -0.86 0.59 -4.10 -1.43 3.41 -1.26 -4.76 113.62 105.21 1uiw n SER 49 Ca 0.15 -0.27 -0.08 0.00 -0.26 0.00 0.00 58.87 58.41 1uiw n SER 49 Cb 0.75 0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 65.00 1uiw n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1uiw s THR 50 N -3.05 0.17 0.20 6.66 -4.23 -1.26 -5.05 115.64 109.08 1uiw s THR 50 Ca 0.09 -1.81 -0.10 0.00 -1.18 0.00 0.00 61.69 58.68 1uiw s THR 50 Cb 0.16 -1.70 0.13 0.00 1.34 0.00 0.00 72.50 72.43 1uiw s THR 50 CO 0.73 -0.79 1.78 -0.65 -0.54 0.00 0.00 174.62 175.16 1uiw h PRO 51 N 3.03 0.54 -0.27 3.99 0.11 -1.99 -1.93 132.00 135.48 1uiw h PRO 51 Ca -0.34 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.63 1uiw h PRO 51 Cb 1.16 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1uiw h PRO 51 CO 0.63 0.36 -0.27 -0.44 -0.21 0.00 0.00 178.00 178.07 1uiw h ASP 52 N 0.56 0.53 -0.54 -2.05 3.32 -1.99 -0.84 116.42 115.41 1uiw h ASP 52 Ca 0.28 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1uiw h ASP 52 Cb 0.24 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1uiw h ASP 52 CO -0.21 0.79 0.29 0.00 -1.72 0.00 0.00 179.24 178.39 1uiw h ALA 53 N 1.25 0.69 0.31 3.45 0.00 -1.81 -1.96 119.26 121.20 1uiw h ALA 53 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1uiw h ALA 53 Cb 0.71 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1uiw h ALA 53 CO 0.05 0.22 -0.15 0.28 0.00 0.00 0.00 179.25 179.66 1uiw h VAL 54 N 0.73 0.71 -0.33 0.00 2.07 -1.06 -2.44 116.25 115.92 1uiw h VAL 54 Ca 0.19 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1uiw h VAL 54 Cb 0.06 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1uiw h VAL 54 CO -0.03 0.09 0.11 0.24 0.02 0.00 0.00 177.57 178.00 1uiw h MET 55 N -0.69 0.47 -0.02 1.57 2.07 -1.17 -2.64 114.93 114.53 1uiw h MET 55 Ca -0.04 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.53 1uiw h MET 55 Cb 0.48 -0.09 0.00 0.00 -1.87 0.00 0.00 31.60 30.12 1uiw h MET 55 CO 0.07 0.41 -0.06 0.41 1.07 0.00 0.00 176.91 178.81 1uiw n GLY 56 N -1.19 0.09 3.67 8.32 0.00 -0.74 -4.82 105.19 110.52 1uiw n GLY 56 Ca 0.02 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1uiw n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uiw s ASN 57 N -2.10 6.64 0.38 1.61 3.84 -0.92 -4.91 114.94 119.48 1uiw s ASN 57 Ca 0.33 2.32 0.06 0.00 0.21 0.00 0.00 52.86 55.78 1uiw s ASN 57 Cb 0.20 -2.54 0.77 0.00 -0.55 0.00 0.00 41.25 39.13 1uiw s ASN 57 CO 0.37 -0.92 2.02 -0.65 -2.79 0.00 0.00 177.10 175.13 1uiw h PRO 58 N 9.35 0.67 -0.32 0.43 0.11 -1.91 -2.02 132.00 138.32 1uiw h PRO 58 Ca -0.41 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 1uiw h PRO 58 Cb 1.19 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1uiw h PRO 58 CO 0.95 0.44 -0.35 0.87 -0.21 0.00 0.00 178.00 179.70 1uiw h LYS 59 N 0.69 0.71 -0.36 1.05 1.57 -1.91 -1.01 116.57 117.32 1uiw h LYS 59 Ca 0.22 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1uiw h LYS 59 Cb 0.03 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1uiw h LYS 59 CO -0.05 0.95 0.19 0.28 -0.57 0.00 0.00 179.45 180.24 1uiw h VAL 60 N 0.59 1.15 -0.41 0.50 2.07 -1.74 -1.80 116.25 116.60 1uiw h VAL 60 Ca 0.06 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1uiw h VAL 60 Cb 0.87 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 1uiw h VAL 60 CO 0.08 0.15 0.15 0.11 0.02 0.00 0.00 177.57 178.08 1uiw h LYS 61 N 0.45 0.63 -0.57 1.57 1.57 -1.28 -0.85 116.57 118.08 1uiw h LYS 61 Ca 0.12 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1uiw h LYS 61 Cb 0.08 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1uiw h LYS 61 CO -0.02 0.60 0.19 0.00 -0.57 0.00 0.00 179.45 179.64 1uiw h ALA 62 N 1.00 0.74 -0.44 3.86 0.00 -1.15 -2.20 119.26 121.07 1uiw h ALA 62 Ca 0.14 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1uiw h ALA 62 Cb 0.21 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1uiw h ALA 62 CO -0.01 0.40 -0.29 1.25 0.00 0.00 0.00 179.25 180.60 1uiw h HIS 63 N 0.79 1.12 -0.83 0.00 -0.00 -1.23 -2.22 115.15 112.78 1uiw h HIS 63 Ca 0.18 -0.30 0.02 0.00 -0.00 0.00 0.00 60.37 60.28 1uiw h HIS 63 Cb 0.27 -0.25 -0.05 0.00 -0.00 0.00 0.00 27.41 27.38 1uiw h HIS 63 CO 0.02 1.12 0.54 0.78 -0.00 0.00 0.00 177.93 180.39 1uiw h GLY 64 N 0.84 1.20 0.99 5.26 0.00 -1.07 -0.69 103.07 109.61 1uiw h GLY 64 Ca 0.09 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1uiw h GLY 64 CO 0.08 0.38 0.31 1.70 0.00 0.00 0.00 176.54 179.01 1uiw h LYS 65 N 1.08 0.79 -0.15 4.80 3.64 -1.28 -1.61 116.57 123.84 1uiw h LYS 65 Ca 0.32 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1uiw h LYS 65 Cb -0.04 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1uiw h LYS 65 CO -0.10 0.61 0.08 -0.22 -2.27 0.00 0.00 179.45 177.56 1uiw h LYS 66 N 0.76 0.20 -0.20 1.90 3.64 -0.98 -1.06 116.57 120.84 1uiw h LYS 66 Ca 0.20 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1uiw h LYS 66 Cb 0.05 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1uiw h LYS 66 CO -0.03 0.21 0.11 0.28 -2.27 0.00 0.00 179.45 177.74 1uiw h VAL 67 N 0.14 1.12 0.00 2.00 2.07 -1.09 -2.64 116.25 117.84 1uiw h VAL 67 Ca 0.05 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.18 1uiw h VAL 67 Cb 0.06 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1uiw h VAL 67 CO -0.01 0.11 -0.33 0.25 0.02 0.00 0.00 177.57 177.61 1uiw h LEU 68 N 0.21 0.00 -0.54 2.57 6.46 -1.27 -1.96 115.31 120.78 1uiw h LEU 68 Ca 0.07 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1uiw h LEU 68 Cb 0.08 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 1uiw h LEU 68 CO -0.01 0.33 0.28 1.23 -0.62 0.00 0.00 178.44 179.65 1uiw h GLY 69 N 1.58 0.82 1.13 3.75 0.00 -0.98 -0.63 103.07 108.74 1uiw h GLY 69 Ca -0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 1uiw h GLY 69 CO 0.04 0.37 0.01 0.00 0.00 0.00 0.00 176.54 176.96 1uiw h ALA 70 N 1.12 0.88 -0.32 3.60 0.00 -1.15 -2.15 119.26 121.25 1uiw h ALA 70 Ca 0.19 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1uiw h ALA 70 Cb 0.08 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1uiw h ALA 70 CO -0.03 0.66 0.09 0.35 0.00 0.00 0.00 179.25 180.33 1uiw h PHE 71 N 0.96 0.17 -0.41 0.00 3.04 -1.25 -2.51 116.94 116.93 1uiw h PHE 71 Ca 0.17 0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.21 1uiw h PHE 71 Cb 0.54 -0.03 -0.06 0.00 2.56 0.00 0.00 35.95 38.96 1uiw h PHE 71 CO 0.04 0.06 0.08 1.03 -2.02 0.00 0.00 178.31 177.50 1uiw h SER 72 N 0.22 -0.00 -0.59 0.41 0.87 -0.93 -1.86 113.55 111.67 1uiw h SER 72 Ca 0.14 0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1uiw h SER 72 Cb 0.13 0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 1uiw h SER 72 CO -0.16 0.03 0.39 0.44 -0.53 0.00 0.00 176.83 177.01 1uiw h ASP 73 N 0.21 0.68 0.33 6.23 3.32 -1.25 -2.39 116.42 123.55 1uiw h ASP 73 Ca 0.20 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 1uiw h ASP 73 Cb 0.25 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1uiw h ASP 73 CO -0.27 0.49 -0.13 1.23 -1.72 0.00 0.00 179.24 178.84 1uiw h GLY 74 N 0.81 0.00 2.00 2.75 0.00 -0.89 -2.87 103.07 104.87 1uiw h GLY 74 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1uiw h GLY 74 CO -0.05 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.53 1uiw n LEU 75 N -3.75 0.41 -0.19 3.11 4.77 -0.90 -1.07 117.00 119.38 1uiw n LEU 75 Ca -0.02 0.63 0.15 0.00 -0.03 0.00 0.00 56.01 56.74 1uiw n LEU 75 Cb 0.24 -0.61 0.67 0.00 -2.33 0.00 0.00 43.42 41.39 1uiw n LEU 75 CO 0.31 -0.58 0.92 0.00 -1.33 0.00 0.00 177.39 176.71 1uiw n ALA 76 N -1.68 2.70 -2.54 -1.18 0.00 -1.08 -4.21 120.51 112.52 1uiw n ALA 76 Ca 0.01 -0.30 -0.12 0.00 0.00 0.00 0.00 53.44 53.03 1uiw n ALA 76 Cb 0.14 -1.33 0.03 0.00 0.00 0.00 0.00 19.45 18.29 1uiw n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1uiw n HIS 77 N -0.65 1.92 0.27 0.00 8.25 -0.23 -4.94 115.22 119.84 1uiw n HIS 77 Ca 0.18 -2.45 0.11 0.00 -0.26 0.00 0.00 57.72 55.30 1uiw n HIS 77 Cb 0.26 -0.27 0.72 0.00 1.12 0.00 0.00 29.99 31.82 1uiw n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1uiw h LEU 78 N 2.59 0.00 -0.64 2.41 -0.00 -1.73 -1.14 115.31 116.79 1uiw h LEU 78 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.94 1uiw h LEU 78 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.93 1uiw h LEU 78 CO 0.49 0.05 0.00 0.47 -0.00 0.00 0.00 178.44 179.45 1uiw n ASP 79 N -4.16 0.99 -2.72 -0.43 8.00 -1.26 -4.33 116.55 112.65 1uiw n ASP 79 Ca -0.03 -1.36 -0.06 0.00 0.71 0.00 0.00 54.79 54.05 1uiw n ASP 79 Cb 0.13 -0.01 0.05 0.00 -0.02 0.00 0.00 41.12 41.28 1uiw n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1uiw n ASN 80 N -0.21 0.85 -0.21 -2.24 5.15 -0.44 -4.98 115.26 113.18 1uiw n ASN 80 Ca 0.20 -2.44 -0.06 0.00 -0.60 0.00 0.00 54.58 51.69 1uiw n ASN 80 Cb 0.27 -0.23 0.10 0.00 -0.53 0.00 0.00 39.78 39.39 1uiw n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1uiw h LEU 81 N 2.61 0.97 -0.39 1.20 3.38 -1.73 -2.05 115.31 119.29 1uiw h LEU 81 Ca -0.16 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 1uiw h LEU 81 Cb 1.23 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1uiw h LEU 81 CO 0.28 0.93 0.09 0.11 0.09 0.00 0.00 178.44 179.94 1uiw h LYS 82 N 0.98 0.62 -0.32 1.13 1.57 -1.90 -1.75 116.57 116.91 1uiw h LYS 82 Ca 0.21 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1uiw h LYS 82 Cb 0.34 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1uiw h LYS 82 CO 0.00 0.66 0.13 0.78 -0.57 0.00 0.00 179.45 180.45 1uiw h GLY 83 N 0.48 0.51 0.46 3.86 0.00 -1.95 -2.29 103.07 104.14 1uiw h GLY 83 Ca 0.12 -0.27 0.10 0.00 0.00 0.00 0.00 47.33 47.28 1uiw h GLY 83 CO 0.00 0.26 0.38 -0.84 0.00 0.00 0.00 176.54 176.34 1uiw h THR 84 N 0.37 0.85 -0.30 4.70 2.02 -1.22 -3.10 112.91 116.22 1uiw h THR 84 Ca 0.11 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1uiw h THR 84 Cb 0.17 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 1uiw h THR 84 CO -0.01 0.12 0.00 0.49 0.37 0.00 0.00 175.52 176.49 1uiw n PHE 85 N -4.84 0.38 -0.15 3.16 3.72 -0.67 -4.63 117.46 114.43 1uiw n PHE 85 Ca 0.12 -0.19 -0.04 0.00 -0.05 0.00 0.00 57.45 57.29 1uiw n PHE 85 Cb 0.28 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.87 1uiw n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uiw h ALA 86 N 4.55 0.57 -0.70 4.37 0.00 -1.33 0.03 119.26 126.75 1uiw h ALA 86 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1uiw h ALA 86 Cb 0.97 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1uiw h ALA 86 CO 0.00 -0.20 0.20 1.79 0.00 0.00 0.00 179.25 181.04 1uiw h THR 87 N 0.37 1.26 -0.37 0.00 1.35 -1.82 -2.29 112.91 111.40 1uiw h THR 87 Ca 0.22 -0.91 -0.08 0.00 -0.55 0.00 0.00 66.41 65.09 1uiw h THR 87 Cb 0.20 0.52 -0.02 0.00 -1.73 0.00 0.00 68.15 67.13 1uiw h THR 87 CO -0.21 0.35 -0.09 0.25 -0.25 0.00 0.00 175.52 175.57 1uiw h LEU 88 N 1.03 0.62 -0.02 3.87 5.85 -1.79 -2.38 115.31 122.48 1uiw h LEU 88 Ca 0.22 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1uiw h LEU 88 Cb 0.32 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1uiw h LEU 88 CO -0.00 0.75 0.01 -1.28 -0.34 0.00 0.00 178.44 177.58 1uiw h SER 89 N 0.59 0.03 -0.65 1.25 0.87 -0.75 -1.39 113.55 113.49 1uiw h SER 89 Ca 0.11 -0.08 0.14 0.00 -1.23 0.00 0.00 61.79 60.72 1uiw h SER 89 Cb 0.51 -0.01 -0.10 0.00 -0.44 0.00 0.00 62.40 62.36 1uiw h SER 89 CO 0.03 0.10 0.08 -0.08 -0.53 0.00 0.00 176.83 176.43 1uiw h GLU 90 N -0.05 0.19 -0.17 2.24 4.22 -1.34 -2.13 114.58 117.54 1uiw h GLU 90 Ca 0.01 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.41 1uiw h GLU 90 Cb 0.08 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1uiw h GLU 90 CO -0.00 0.12 0.02 1.25 -2.18 0.00 0.00 179.01 178.23 1uiw h LEU 91 N 0.19 0.27 -1.58 1.64 5.85 -1.20 -1.17 115.31 119.32 1uiw h LEU 91 Ca 0.35 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1uiw h LEU 91 Cb 0.58 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 1uiw h LEU 91 CO -0.50 0.47 -0.04 0.45 -0.34 0.00 0.00 178.44 178.48 1uiw h HIS 92 N 0.06 0.22 0.15 1.25 3.86 -1.04 -1.65 115.15 118.00 1uiw h HIS 92 Ca 0.05 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 1uiw h HIS 92 Cb 0.32 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1uiw h HIS 92 CO 0.02 0.27 -0.07 0.00 0.86 0.00 0.00 177.93 179.01 1uiw h ASP 94 N -0.97 0.68 0.00 0.00 3.32 -1.20 -3.22 116.42 115.03 1uiw h ASP 94 Ca -0.02 -0.67 -0.41 0.00 0.02 0.00 0.00 57.03 55.95 1uiw h ASP 94 Cb 0.43 -0.22 -0.07 0.00 0.22 0.00 0.00 39.33 39.70 1uiw h ASP 94 CO 0.03 1.50 -2.49 1.17 -1.72 0.00 0.00 179.24 177.73 1uiw n LYS 95 N -3.69 0.64 0.03 3.56 4.81 -0.65 -4.73 118.16 118.12 1uiw n LYS 95 Ca -0.12 0.18 0.11 0.00 -0.87 0.00 0.00 58.31 57.62 1uiw n LYS 95 Cb 1.00 -1.52 -0.08 0.00 0.02 0.00 0.00 35.03 34.45 1uiw n LYS 95 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1uiw n LEU 96 N -3.52 0.41 -3.80 3.14 4.77 -1.02 -5.01 117.00 111.97 1uiw n LEU 96 Ca -0.48 0.07 -0.25 0.00 -0.03 0.00 0.00 56.01 55.32 1uiw n LEU 96 Cb 0.96 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 42.05 1uiw n LEU 96 CO 0.20 -0.04 -0.00 1.41 -1.33 0.00 0.00 177.39 177.64 1uiw n HIS 97 N -2.29 -2.07 -3.33 -1.77 8.25 -0.47 -4.97 115.22 108.58 1uiw n HIS 97 Ca -0.01 0.86 -0.41 0.00 -0.26 0.00 0.00 57.72 57.90 1uiw n HIS 97 Cb 0.53 -4.19 -0.09 0.00 1.12 0.00 0.00 29.99 27.36 1uiw n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1uiw s VAL 98 N -3.53 5.10 0.01 1.59 1.01 -0.90 -5.05 120.40 118.64 1uiw s VAL 98 Ca 0.28 0.24 -0.34 0.00 0.00 0.00 0.00 61.98 62.15 1uiw s VAL 98 Cb -0.14 -3.87 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 1uiw s VAL 98 CO 0.82 -0.12 1.75 -0.67 0.00 0.00 0.00 175.10 176.89 1uiw n ASP 99 N 5.53 3.27 0.22 3.32 -0.08 -1.26 -4.78 116.55 122.77 1uiw n ASP 99 Ca -0.07 1.02 0.15 0.00 -1.51 0.00 0.00 54.79 54.38 1uiw n ASP 99 Cb 0.49 -1.39 0.81 0.00 2.34 0.00 0.00 41.12 43.37 1uiw n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1uiw h PRO 100 N 7.81 0.00 -0.52 -0.67 0.11 -1.97 -1.93 132.00 134.83 1uiw h PRO 100 Ca -0.47 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.77 1uiw h PRO 100 Cb 1.27 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1uiw h PRO 100 CO 0.92 0.00 0.37 1.49 -0.21 0.00 0.00 178.00 180.57 1uiw h GLU 101 N 0.00 0.12 -0.93 1.05 4.57 -1.98 -1.09 114.58 116.31 1uiw h GLU 101 Ca 0.00 -0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.31 1uiw h GLU 101 Cb 0.00 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.49 1uiw h GLU 101 CO 0.00 0.08 0.59 -0.91 -1.18 0.00 0.00 179.01 177.59 1uiw h ASN 102 N 0.12 0.74 0.09 1.04 4.21 -1.72 -1.71 115.58 118.35 1uiw h ASN 102 Ca 0.25 0.05 -0.09 0.00 1.21 0.00 0.00 56.30 57.71 1uiw h ASN 102 Cb 0.82 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.91 1uiw h ASN 102 CO -0.03 0.37 -0.30 -0.26 -1.29 0.00 0.00 177.43 175.92 1uiw h PHE 103 N 0.78 0.36 -0.25 1.19 0.04 -1.40 -1.61 116.94 116.06 1uiw h PHE 103 Ca 0.47 -0.08 -0.18 0.00 2.80 0.00 0.00 57.97 60.98 1uiw h PHE 103 Cb 0.66 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1uiw h PHE 103 CO -0.00 0.60 -0.54 0.00 -0.60 0.00 0.00 178.31 177.77 1uiw h ARG 104 N 0.28 0.81 -0.58 1.51 3.08 -1.36 -2.14 114.38 115.99 1uiw h ARG 104 Ca 0.04 -0.53 -0.03 0.00 0.07 0.00 0.00 59.98 59.53 1uiw h ARG 104 Cb 0.68 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 1uiw h ARG 104 CO 0.05 1.16 0.24 -0.07 -1.07 0.00 0.00 179.97 180.28 1uiw h LEU 105 N 0.56 0.79 -0.88 3.04 3.38 -1.23 -2.36 115.31 118.61 1uiw h LEU 105 Ca 0.00 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1uiw h LEU 105 Cb 1.15 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 1uiw h LEU 105 CO 0.12 0.73 0.29 0.25 0.09 0.00 0.00 178.44 179.92 1uiw h LEU 106 N 0.79 1.02 -0.76 1.67 5.85 -1.26 -2.09 115.31 120.53 1uiw h LEU 106 Ca 0.19 -0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1uiw h LEU 106 Cb 0.19 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1uiw h LEU 106 CO -0.02 0.92 0.49 1.23 -0.34 0.00 0.00 178.44 180.72 1uiw h GLY 107 N 1.12 1.09 1.00 3.75 0.00 -1.13 -0.12 103.07 108.78 1uiw h GLY 107 Ca 0.25 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 1uiw h GLY 107 CO -0.02 0.35 0.03 3.43 0.00 0.00 0.00 176.54 180.33 1uiw h ASN 108 N 0.99 0.83 -0.67 0.19 2.35 -1.17 -2.35 115.58 115.75 1uiw h ASN 108 Ca 0.29 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1uiw h ASN 108 Cb -0.05 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.07 1uiw h ASN 108 CO -0.09 0.91 0.34 0.58 -1.65 0.00 0.00 177.43 177.53 1uiw h VAL 109 N 0.72 1.22 -0.55 2.81 2.07 -1.11 -2.39 116.25 119.02 1uiw h VAL 109 Ca 0.15 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 67.14 1uiw h VAL 109 Cb 0.47 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1uiw h VAL 109 CO 0.02 0.25 0.27 0.25 0.02 0.00 0.00 177.57 178.37 1uiw h LEU 110 N 0.92 0.36 -0.81 2.57 5.85 -0.91 -0.57 115.31 122.72 1uiw h LEU 110 Ca 0.23 0.04 0.04 0.00 0.84 0.00 0.00 57.88 59.04 1uiw h LEU 110 Cb 0.08 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.04 1uiw h LEU 110 CO -0.03 0.24 0.51 0.58 -0.34 0.00 0.00 178.44 179.40 1uiw h VAL 111 N 0.51 1.09 -0.72 1.05 2.07 -1.18 -0.91 116.25 118.15 1uiw h VAL 111 Ca 0.25 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1uiw h VAL 111 Cb 0.20 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 1uiw h VAL 111 CO -0.19 0.18 0.31 0.00 0.02 0.00 0.00 177.57 177.88 1uiw h VAL 113 N 1.04 1.28 -0.52 0.00 2.07 -0.51 -1.34 116.25 118.27 1uiw h VAL 113 Ca 0.25 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1uiw h VAL 113 Cb 0.17 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1uiw h VAL 113 CO -0.02 0.41 0.22 -0.07 0.02 0.00 0.00 177.57 178.13 1uiw h LEU 114 N 0.57 0.70 -0.51 2.57 3.38 -1.04 -1.63 115.31 119.36 1uiw h LEU 114 Ca 0.09 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1uiw h LEU 114 Cb 0.67 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1uiw h LEU 114 CO 0.05 0.66 0.33 0.00 0.09 0.00 0.00 178.44 179.57 1uiw h ALA 115 N 1.07 0.64 -0.61 1.53 0.00 -1.26 -1.05 119.26 119.58 1uiw h ALA 115 Ca 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1uiw h ALA 115 Cb 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1uiw h ALA 115 CO -0.02 0.09 0.39 1.25 0.00 0.00 0.00 179.25 180.97 1uiw h HIS 116 N 0.68 0.75 -0.06 0.00 -0.00 -1.02 -1.14 115.15 114.36 1uiw h HIS 116 Ca 0.18 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.55 1uiw h HIS 116 Cb -0.07 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.09 1uiw h HIS 116 CO -0.04 0.46 -0.04 1.25 -0.00 0.00 0.00 177.93 179.56 1uiw h HIS 117 N 0.80 0.15 0.00 5.26 6.17 -1.21 -3.36 115.15 122.96 1uiw h HIS 117 Ca 0.23 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.27 1uiw h HIS 117 Cb -0.06 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 29.83 1uiw h HIS 117 CO -0.04 0.55 -0.92 1.19 0.71 0.00 0.00 177.93 179.43 1uiw n PHE 118 N -4.76 0.71 -1.17 5.26 3.72 -0.41 -5.03 117.46 115.78 1uiw n PHE 118 Ca -0.07 0.21 0.00 0.00 -0.05 0.00 0.00 57.45 57.53 1uiw n PHE 118 Cb 0.28 -0.77 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 1uiw n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1uiw n GLY 119 N 1.26 3.47 0.32 1.37 0.00 -0.44 -2.62 105.19 108.57 1uiw n GLY 119 Ca 0.01 -0.16 0.15 0.00 0.00 0.00 0.00 46.02 46.02 1uiw n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1uiw h LYS 120 N 0.00 0.00 -0.17 1.61 3.64 -1.96 -1.20 116.57 118.49 1uiw h LYS 120 Ca 0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 1uiw h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1uiw h LYS 120 CO 0.00 0.00 0.14 1.49 -2.27 0.00 0.00 179.45 178.81 1uiw h GLU 121 N 0.00 0.00 -3.82 1.90 4.81 -1.91 -3.28 114.58 112.28 1uiw h GLU 121 Ca 0.11 0.00 -0.74 0.00 -0.13 0.00 0.00 59.36 58.60 1uiw h GLU 121 Cb 0.47 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.73 1uiw h GLU 121 CO -0.00 0.00 2.29 0.34 -0.73 0.00 0.00 179.01 180.91 1uiw n PHE 122 N -4.19 3.32 -1.09 0.92 7.35 -0.46 -4.95 117.46 118.36 1uiw n PHE 122 Ca 0.01 -2.88 -0.30 0.00 -0.76 0.00 0.00 57.45 53.52 1uiw n PHE 122 Cb 0.27 -2.16 0.15 0.00 0.35 0.00 0.00 39.48 38.09 1uiw n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1uiw s THR 123 N 1.40 2.57 0.21 -2.13 -4.23 -1.24 -4.69 115.64 107.52 1uiw s THR 123 Ca 0.42 0.18 -0.10 0.00 -1.18 0.00 0.00 61.69 61.02 1uiw s THR 123 Cb 0.10 -2.58 0.17 0.00 1.34 0.00 0.00 72.50 71.53 1uiw s THR 123 CO -0.02 -0.24 1.70 -0.65 -0.54 0.00 0.00 174.62 174.87 1uiw h PRO 124 N -1.67 0.23 -0.73 3.99 0.11 -1.94 -0.63 132.00 131.35 1uiw h PRO 124 Ca -0.50 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1uiw h PRO 124 Cb 1.28 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1uiw h PRO 124 CO 0.53 0.15 0.43 -1.35 -0.21 0.00 0.00 178.00 177.55 1uiw h PRO 125 N 0.23 0.99 -0.32 1.05 0.11 -2.00 -1.48 132.00 130.59 1uiw h PRO 125 Ca 0.32 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.30 1uiw h PRO 125 Cb 0.49 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 1uiw h PRO 125 CO -0.42 0.70 0.06 0.28 -0.21 0.00 0.00 178.00 178.41 1uiw h VAL 126 N 1.01 1.23 -0.60 3.15 2.07 -1.76 -2.60 116.25 118.75 1uiw h VAL 126 Ca 0.26 -0.79 0.07 0.00 0.82 0.00 0.00 66.70 67.07 1uiw h VAL 126 Cb -0.03 1.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1uiw h VAL 126 CO -0.05 0.26 0.27 -0.61 0.02 0.00 0.00 177.57 177.47 1uiw h GLN 127 N 0.37 0.49 -0.77 1.57 4.15 -0.99 -2.24 115.11 117.68 1uiw h GLN 127 Ca 0.10 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1uiw h GLN 127 Cb 0.33 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 1uiw h GLN 127 CO 0.00 0.32 0.50 0.00 -1.93 0.00 0.00 178.83 177.73 1uiw h ALA 128 N 1.37 0.98 -0.31 3.38 0.00 -1.09 0.65 119.26 124.24 1uiw h ALA 128 Ca 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1uiw h ALA 128 Cb 0.28 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1uiw h ALA 128 CO -0.24 0.41 0.21 0.00 0.00 0.00 0.00 179.25 179.63 1uiw h ALA 129 N 1.27 0.40 -0.19 0.00 0.00 -1.19 -2.48 119.26 117.07 1uiw h ALA 129 Ca 0.28 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1uiw h ALA 129 Cb -0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1uiw h ALA 129 CO -0.06 -0.14 -0.03 1.88 0.00 0.00 0.00 179.25 180.90 1uiw h TYR 130 N 0.42 0.29 -0.63 0.00 0.05 -0.88 -2.39 116.97 113.83 1uiw h TYR 130 Ca 0.11 -0.02 -0.07 0.00 0.05 0.00 0.00 58.73 58.81 1uiw h TYR 130 Cb -0.05 -0.09 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 1uiw h TYR 130 CO -0.06 0.33 0.13 1.96 -1.05 0.00 0.00 178.16 179.48 1uiw h GLN 131 N 0.28 1.03 -0.52 4.88 1.08 -0.62 -1.44 115.11 119.80 1uiw h GLN 131 Ca 0.06 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 1uiw h GLN 131 Cb 0.25 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 1uiw h GLN 131 CO 0.01 0.94 0.33 0.87 -0.95 0.00 0.00 178.83 180.03 1uiw h LYS 132 N 0.94 0.69 0.03 1.46 1.57 -1.14 -2.34 116.57 117.78 1uiw h LYS 132 Ca 0.20 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1uiw h LYS 132 Cb 0.39 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1uiw h LYS 132 CO 0.01 0.48 -0.01 0.28 -0.57 0.00 0.00 179.45 179.63 1uiw h VAL 133 N 0.70 1.04 -0.18 0.50 2.07 -1.14 -1.57 116.25 117.67 1uiw h VAL 133 Ca 0.19 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 1uiw h VAL 133 Cb -0.05 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1uiw h VAL 133 CO -0.04 0.05 -0.31 -0.37 0.02 0.00 0.00 177.57 176.92 1uiw h VAL 134 N -0.12 1.28 -0.60 2.57 -1.51 -1.26 -0.23 116.25 116.38 1uiw h VAL 134 Ca -0.00 -1.34 -0.05 0.00 -1.23 0.00 0.00 66.70 64.07 1uiw h VAL 134 Cb 0.11 1.49 -0.02 0.00 -2.13 0.00 0.00 31.29 30.73 1uiw h VAL 134 CO 0.01 0.41 0.18 0.00 -1.23 0.00 0.00 177.57 176.94 1uiw h ALA 135 N 1.35 0.78 -0.40 5.19 0.00 -1.39 -1.57 119.26 123.22 1uiw h ALA 135 Ca 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1uiw h ALA 135 Cb 0.72 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1uiw h ALA 135 CO 0.05 0.46 0.14 0.78 0.00 0.00 0.00 179.25 180.68 1uiw h GLY 136 N 0.85 0.65 0.95 0.00 0.00 -0.69 -0.86 103.07 103.97 1uiw h GLY 136 Ca 0.19 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 1uiw h GLY 136 CO -0.00 0.35 0.10 -2.08 0.00 0.00 0.00 176.54 174.91 1uiw h VAL 137 N 0.50 1.23 -0.68 4.60 2.07 -1.04 -1.28 116.25 121.65 1uiw h VAL 137 Ca 0.13 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.84 1uiw h VAL 137 Cb 0.22 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1uiw h VAL 137 CO -0.01 0.29 0.45 0.00 0.02 0.00 0.00 177.57 178.32 1uiw h ALA 138 N 0.96 0.86 -0.62 1.67 0.00 -1.21 -0.97 119.26 119.95 1uiw h ALA 138 Ca 0.14 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1uiw h ALA 138 Cb 0.32 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1uiw h ALA 138 CO 0.00 0.28 0.09 -0.91 0.00 0.00 0.00 179.25 178.72 1uiw h ASN 139 N 0.92 0.97 -0.44 0.00 -0.26 -1.07 -1.83 115.58 113.87 1uiw h ASN 139 Ca 0.25 -0.22 -0.06 0.00 -0.56 0.00 0.00 56.30 55.71 1uiw h ASN 139 Cb -0.10 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 36.88 1uiw h ASN 139 CO -0.05 0.97 0.05 0.00 -1.06 0.00 0.00 177.43 177.33 1uiw h ALA 140 N 1.14 0.59 0.00 -0.83 0.00 -1.01 -2.36 119.26 116.80 1uiw h ALA 140 Ca 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1uiw h ALA 140 Cb 0.42 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1uiw h ALA 140 CO 0.01 0.33 -0.12 -0.07 0.00 0.00 0.00 179.25 179.41 1uiw h LEU 141 N 0.60 0.00 0.00 0.00 3.38 -1.02 -2.75 115.31 115.53 1uiw h LEU 141 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1uiw h LEU 141 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1uiw h LEU 141 CO 0.01 0.12 -0.34 0.00 0.09 0.00 0.00 178.44 178.32 1uiw h ALA 142 N 1.88 0.77 -0.04 1.53 0.00 -1.08 -3.41 119.26 118.92 1uiw h ALA 142 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1uiw h ALA 142 Cb 0.43 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1uiw h ALA 142 CO 0.02 0.00 -0.41 1.25 0.00 0.00 0.00 179.25 180.10 1uiw h HIS 143 N 0.00 0.10 -0.10 0.00 6.17 -1.11 -2.89 115.15 117.32 1uiw h HIS 143 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.05 1uiw h HIS 143 Cb 0.76 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 30.67 1uiw h HIS 143 CO 0.00 0.49 0.00 1.63 0.71 0.00 0.00 177.93 180.76 1uiw n LYS 144 N -4.04 1.61 -2.02 5.26 4.76 -1.26 -4.95 118.16 117.52 1uiw n LYS 144 Ca -0.02 -0.91 -0.41 0.00 -2.87 0.00 0.00 58.31 54.10 1uiw n LYS 144 Cb 0.45 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 32.21 1uiw n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1uiw s TYR 145 N -1.87 2.97 0.00 2.13 1.51 -1.09 -4.81 117.35 116.18 1uiw s TYR 145 Ca 0.34 1.19 0.00 0.00 -1.01 0.00 0.00 57.07 57.60 1uiw s TYR 145 Cb 0.18 -3.79 0.00 0.00 -0.11 0.00 0.00 41.96 38.24 1uiw s TYR 145 CO 0.28 -2.40 0.00 -2.39 -1.11 0.00 0.00 175.55 169.93