#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uiw n HIS 2 N 0.00 1.72 -2.03 3.52 8.25 -1.26 -5.08 115.22 120.34 1uiw n HIS 2 Ca 0.00 -2.12 -0.41 0.00 -0.26 0.00 0.00 57.72 54.93 1uiw n HIS 2 Cb 0.00 -0.27 -0.02 0.00 1.12 0.00 0.00 29.99 30.82 1uiw n HIS 2 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1uiw s LEU 3 N -3.63 4.39 0.46 2.41 1.43 -1.26 -5.02 118.68 117.46 1uiw s LEU 3 Ca 0.36 2.64 -0.19 0.00 -1.03 0.00 0.00 54.13 55.90 1uiw s LEU 3 Cb 0.35 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.85 1uiw s LEU 3 CO -0.02 -0.68 0.97 0.28 0.23 0.00 0.00 176.35 177.13 1uiw s THR 4 N -0.02 4.42 0.33 5.49 -1.32 -1.26 -4.83 115.64 118.46 1uiw s THR 4 Ca 0.59 1.38 0.13 0.00 -1.21 0.00 0.00 61.69 62.58 1uiw s THR 4 Cb -0.41 -3.64 0.32 0.00 -1.51 0.00 0.00 72.50 67.26 1uiw s THR 4 CO 0.43 -0.45 1.68 -0.65 -2.21 0.00 0.00 174.62 173.43 1uiw h PRO 5 N 1.55 0.39 0.00 7.08 0.11 -1.99 0.11 132.00 139.25 1uiw h PRO 5 Ca -0.48 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 1uiw h PRO 5 Cb 1.18 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1uiw h PRO 5 CO 0.61 0.26 -0.53 1.05 -0.21 0.00 0.00 178.00 179.18 1uiw h GLU 6 N 0.40 0.00 -0.07 1.05 9.09 -1.99 -2.17 114.58 120.89 1uiw h GLU 6 Ca 0.70 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 60.01 1uiw h GLU 6 Cb 1.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.63 1uiw h GLU 6 CO -0.57 0.53 -0.37 0.93 0.05 0.00 0.00 179.01 179.59 1uiw h GLU 7 N 0.00 0.38 -0.70 1.06 5.08 -1.26 -1.72 114.58 117.42 1uiw h GLU 7 Ca -0.01 -0.31 0.12 0.00 -1.00 0.00 0.00 59.36 58.16 1uiw h GLU 7 Cb 1.07 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.30 1uiw h GLU 7 CO 0.07 0.95 0.29 0.87 -1.00 0.00 0.00 179.01 180.19 1uiw h LYS 8 N -0.09 0.46 -0.74 2.33 1.57 -0.88 -0.40 116.57 118.81 1uiw h LYS 8 Ca -0.02 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1uiw h LYS 8 Cb 1.02 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.18 1uiw h LYS 8 CO 0.08 0.30 0.47 1.03 -0.57 0.00 0.00 179.45 180.76 1uiw h SER 9 N 0.47 0.79 -0.09 0.86 0.87 -1.36 -2.13 113.55 112.96 1uiw h SER 9 Ca 0.37 -0.01 -0.14 0.00 -1.23 0.00 0.00 61.79 60.79 1uiw h SER 9 Cb 0.49 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1uiw h SER 9 CO -0.34 0.55 -0.40 0.00 -0.53 0.00 0.00 176.83 176.10 1uiw h ALA 10 N 1.30 0.81 -0.06 6.23 0.00 -0.33 -1.78 119.26 125.43 1uiw h ALA 10 Ca 0.29 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1uiw h ALA 10 Cb -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1uiw h ALA 10 CO -0.10 0.65 0.03 0.28 0.00 0.00 0.00 179.25 180.12 1uiw h VAL 11 N 0.51 1.07 -0.47 0.00 2.07 -0.89 -2.63 116.25 115.90 1uiw h VAL 11 Ca 0.04 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.29 1uiw h VAL 11 Cb 0.92 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 1uiw h VAL 11 CO 0.08 0.06 -0.04 0.74 0.02 0.00 0.00 177.57 178.43 1uiw h THR 12 N 0.02 1.27 -0.39 2.57 2.02 -1.36 -1.50 112.91 115.53 1uiw h THR 12 Ca 0.02 -1.13 0.02 0.00 0.77 0.00 0.00 66.41 66.10 1uiw h THR 12 Cb 0.06 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.48 1uiw h THR 12 CO -0.00 0.39 0.21 0.00 0.37 0.00 0.00 175.52 176.49 1uiw h ALA 13 N 0.91 0.49 -0.52 6.16 0.00 -1.33 -2.08 119.26 122.89 1uiw h ALA 13 Ca 0.13 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1uiw h ALA 13 Cb 0.56 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1uiw h ALA 13 CO 0.03 -0.14 -0.09 1.25 0.00 0.00 0.00 179.25 180.30 1uiw h LEU 14 N 0.43 0.98 -1.23 0.00 6.46 -1.33 -3.25 115.31 117.37 1uiw h LEU 14 Ca 0.16 -0.35 -0.08 0.00 -0.12 0.00 0.00 57.88 57.50 1uiw h LEU 14 Cb 0.05 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 1uiw h LEU 14 CO -0.10 1.10 -0.32 -0.25 -0.62 0.00 0.00 178.44 178.25 1uiw h TRP 15 N 0.85 0.11 -0.03 1.25 2.91 -1.06 -1.97 115.95 118.01 1uiw h TRP 15 Ca 0.14 -0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.14 1uiw h TRP 15 Cb 0.65 -0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 29.27 1uiw h TRP 15 CO 0.05 0.42 0.25 0.78 -1.03 0.00 0.00 178.44 178.90 1uiw h GLY 16 N 1.03 0.00 -1.62 2.65 0.00 -1.41 -1.98 103.07 101.75 1uiw h GLY 16 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1uiw h GLY 16 CO 0.05 0.00 -0.09 0.28 0.00 0.00 0.00 176.54 176.78 1uiw n LYS 17 N -3.03 1.93 -3.16 4.80 5.02 -0.74 -4.99 118.16 117.99 1uiw n LYS 17 Ca -0.02 -1.65 -0.39 0.00 -2.02 0.00 0.00 58.31 54.23 1uiw n LYS 17 Cb 0.31 -1.42 -0.06 0.00 -0.02 0.00 0.00 35.03 33.84 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 -1.94 4.83 -0.68 -0.18 1.01 -0.74 -5.03 120.40 117.66 1uiw s VAL 18 Ca 0.24 1.33 -0.23 0.00 0.00 0.00 0.00 61.98 63.33 1uiw s VAL 18 Cb 0.18 -3.97 0.07 0.00 0.00 0.00 0.00 36.38 32.66 1uiw s VAL 18 CO 0.33 0.43 1.00 0.21 0.00 0.00 0.00 175.10 177.07 1uiw s ASN 19 N -0.30 6.20 0.16 3.32 3.84 -1.26 -4.94 114.94 121.97 1uiw s ASN 19 Ca 0.32 -1.01 -0.12 0.00 0.21 0.00 0.00 52.86 52.26 1uiw s ASN 19 Cb -0.19 -2.43 0.06 0.00 -0.55 0.00 0.00 41.25 38.14 1uiw s ASN 19 CO 0.19 -1.46 1.68 0.58 -2.79 0.00 0.00 177.10 175.31 1uiw h VAL 20 N 5.98 1.24 -0.53 -5.21 2.07 -1.95 -1.44 116.25 116.41 1uiw h VAL 20 Ca -0.26 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.49 1uiw h VAL 20 Cb 1.07 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 31.49 1uiw h VAL 20 CO 1.19 0.31 0.20 0.44 0.02 0.00 0.00 177.57 179.73 1uiw h ASP 21 N 0.80 0.21 -0.03 0.57 3.32 -1.92 -1.39 116.42 117.99 1uiw h ASP 21 Ca 0.18 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1uiw h ASP 21 Cb 0.31 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1uiw h ASP 21 CO -0.00 0.15 -0.04 -0.33 -1.72 0.00 0.00 179.24 177.30 1uiw h GLU 22 N 0.39 0.07 -0.23 3.56 5.08 -1.89 -2.95 114.58 118.61 1uiw h GLU 22 Ca 0.25 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1uiw h GLU 22 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1uiw h GLU 22 CO -0.25 0.57 -0.02 0.28 -1.00 0.00 0.00 179.01 178.59 1uiw h VAL 23 N -0.42 1.15 -0.17 3.13 2.07 -1.27 -2.47 116.25 118.26 1uiw h VAL 23 Ca 0.00 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1uiw h VAL 23 Cb 0.56 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1uiw h VAL 23 CO 0.01 0.20 -0.05 1.23 0.02 0.00 0.00 177.57 178.98 1uiw h GLY 24 N 0.67 0.37 1.20 2.17 0.00 -1.27 -1.10 103.07 105.11 1uiw h GLY 24 Ca 0.08 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 1uiw h GLY 24 CO 0.01 0.29 0.43 -1.33 0.00 0.00 0.00 176.54 175.94 1uiw h GLY 25 N 0.04 1.13 0.99 4.60 0.00 -1.44 -2.29 103.07 106.10 1uiw h GLY 25 Ca 0.04 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 1uiw h GLY 25 CO 0.02 0.47 -0.11 -2.09 0.00 0.00 0.00 176.54 174.83 1uiw h GLU 26 N 1.06 0.79 -0.29 4.80 4.57 -1.32 -2.49 114.58 121.70 1uiw h GLU 26 Ca 0.27 -0.31 -0.10 0.00 -1.18 0.00 0.00 59.36 58.04 1uiw h GLU 26 Cb 0.00 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1uiw h GLU 26 CO -0.05 0.93 -0.22 0.00 -1.18 0.00 0.00 179.01 178.49 1uiw h ALA 27 N 0.84 0.42 -0.49 2.92 0.00 -1.09 -1.62 119.26 120.25 1uiw h ALA 27 Ca 0.10 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1uiw h ALA 27 Cb 0.64 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1uiw h ALA 27 CO 0.04 0.38 -0.08 1.25 0.00 0.00 0.00 179.25 180.84 1uiw h LEU 28 N 0.41 0.92 -0.10 0.00 5.85 -1.49 -1.67 115.31 119.23 1uiw h LEU 28 Ca 0.06 -0.35 0.01 0.00 0.84 0.00 0.00 57.88 58.45 1uiw h LEU 28 Cb 0.77 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1uiw h LEU 28 CO 0.06 1.05 0.00 1.23 -0.34 0.00 0.00 178.44 180.44 1uiw h GLY 29 N 0.77 0.10 1.47 3.75 0.00 -1.43 -2.65 103.07 105.07 1uiw h GLY 29 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1uiw h GLY 29 CO 0.04 -0.01 0.24 3.21 0.00 0.00 0.00 176.54 180.02 1uiw h ARG 30 N 0.04 0.69 -0.53 4.80 3.08 -1.22 -2.01 114.38 119.24 1uiw h ARG 30 Ca 0.05 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.09 1uiw h ARG 30 Cb 0.05 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 29.90 1uiw h ARG 30 CO -0.07 0.54 0.20 1.25 -1.07 0.00 0.00 179.97 180.82 1uiw h LEU 31 N 0.70 0.21 -0.83 3.04 5.85 -1.05 -0.56 115.31 122.67 1uiw h LEU 31 Ca 0.17 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.92 1uiw h LEU 31 Cb 0.08 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1uiw h LEU 31 CO -0.02 0.15 -0.18 -0.07 -0.34 0.00 0.00 178.44 177.97 1uiw h LEU 32 N 0.38 0.00 0.03 2.25 4.07 -1.08 -1.67 115.31 119.28 1uiw h LEU 32 Ca 0.25 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 58.11 1uiw h LEU 32 Cb 0.27 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 1uiw h LEU 32 CO -0.25 0.18 -0.54 0.58 -1.08 0.00 0.00 178.44 177.34 1uiw h VAL 33 N 0.00 1.47 -0.04 1.22 2.07 -1.07 -3.32 116.25 116.60 1uiw h VAL 33 Ca -0.00 -2.33 -0.18 0.00 0.82 0.00 0.00 66.70 65.00 1uiw h VAL 33 Cb 0.84 3.02 -0.01 0.00 -1.52 0.00 0.00 31.29 33.62 1uiw h VAL 33 CO 0.02 0.56 -0.78 0.58 0.02 0.00 0.00 177.57 177.97 1uiw h VAL 34 N -0.87 1.43 -2.12 2.57 2.07 -1.15 -3.36 116.25 114.82 1uiw h VAL 34 Ca -0.13 -2.31 -0.58 0.00 0.82 0.00 0.00 66.70 64.49 1uiw h VAL 34 Cb 1.22 2.25 -0.41 0.00 -1.52 0.00 0.00 31.29 32.83 1uiw h VAL 34 CO -0.03 0.68 -0.78 -1.22 0.02 0.00 0.00 177.57 176.24 1uiw n TYR 35 N -3.77 2.19 0.27 1.57 4.01 -0.63 -5.00 117.16 115.80 1uiw n TYR 35 Ca -0.04 -3.94 0.17 0.00 -0.16 0.00 0.00 57.90 53.93 1uiw n TYR 35 Cb 0.74 -0.48 0.87 0.00 -0.31 0.00 0.00 39.34 40.15 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 4.08 0.00 0.00 -0.72 0.13 -1.72 -1.74 132.00 132.02 1uiw h PRO 36 Ca 0.15 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1uiw h PRO 36 Cb 0.74 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.87 1uiw h PRO 36 CO 0.70 0.00 -0.02 0.11 -0.23 0.00 0.00 178.00 178.56 1uiw h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -2.33 115.95 113.35 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 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.33 1uiw h TRP 37 CO 0.00 0.02 0.00 1.79 0.09 0.00 0.00 178.44 180.34 1uiw h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.64 -2.66 112.91 110.08 1uiw h THR 38 Ca -0.00 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1uiw h THR 38 Cb 0.07 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.31 1uiw h THR 38 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1uiw n GLN 39 N -2.39 0.13 0.22 4.72 6.02 -0.88 -3.57 117.38 121.63 1uiw n GLN 39 Ca 0.00 0.61 0.16 0.00 -0.01 0.00 0.00 57.00 57.76 1uiw n GLN 39 Cb 0.15 -1.92 0.82 0.00 1.02 0.00 0.00 30.24 30.31 1uiw n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1uiw h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.72 -1.32 114.38 110.36 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 0.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.10 1uiw h ARG 40 CO 0.00 0.00 -0.14 1.19 0.10 0.00 0.00 179.97 181.12 1uiw n PHE 41 N -3.94 0.00 -1.93 4.08 3.72 -1.23 -4.44 117.46 113.72 1uiw n PHE 41 Ca 0.00 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.46 1uiw n PHE 41 Cb 0.25 -0.19 0.14 0.00 -0.94 0.00 0.00 39.48 38.74 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 -0.94 0.00 -0.19 1.38 3.72 -0.50 -4.83 117.46 116.10 1uiw n PHE 42 Ca 0.14 -1.10 0.12 0.00 -0.05 0.00 0.00 57.45 56.55 1uiw n PHE 42 Cb 0.29 -0.21 0.43 0.00 -0.94 0.00 0.00 39.48 39.05 1uiw n PHE 42 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1uiw h GLU 43 N 0.97 0.56 0.00 -1.08 4.81 -1.78 -1.15 114.58 116.92 1uiw h GLU 43 Ca -0.09 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1uiw h GLU 43 Cb 1.34 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1uiw h GLU 43 CO 0.04 0.37 0.00 -1.13 -0.73 0.00 0.00 179.01 177.56 1uiw n SER 44 N -4.50 0.00 -0.06 1.04 3.41 -1.26 -3.43 113.62 108.81 1uiw n SER 44 Ca 0.14 0.35 0.14 0.00 -0.26 0.00 0.00 58.87 59.24 1uiw n SER 44 Cb 0.42 -0.42 0.68 0.00 -0.26 0.00 0.00 64.21 64.62 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 -1.42 0.00 -1.50 7.33 3.01 -0.43 -5.04 117.46 119.40 1uiw n PHE 45 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1uiw n PHE 45 Cb 0.16 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 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 1.28 0.61 3.62 1.37 0.00 -1.22 -4.81 105.19 106.03 1uiw n GLY 46 Ca 0.14 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.61 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 6.17 -0.13 1.61 -1.08 -1.26 -4.88 116.67 113.09 1uiw s ASP 47 Ca 0.00 1.48 0.15 0.00 -0.52 0.00 0.00 52.55 53.66 1uiw s ASP 47 Cb 0.00 -2.53 0.39 0.00 -1.46 0.00 0.00 42.92 39.32 1uiw s ASP 47 CO 0.00 -1.45 1.19 0.18 0.52 0.00 0.00 175.17 175.61 1uiw n LEU 48 N 9.23 2.08 0.19 -1.34 4.77 -1.26 -4.32 117.00 126.34 1uiw n LEU 48 Ca 0.20 -3.17 0.12 0.00 -0.03 0.00 0.00 56.01 53.14 1uiw n LEU 48 Cb 0.46 -0.35 0.18 0.00 -2.33 0.00 0.00 43.42 41.38 1uiw n LEU 48 CO 0.67 1.04 0.73 0.77 -1.33 0.00 0.00 177.39 179.26 1uiw h SER 49 N 0.86 0.00 -5.15 -1.43 4.64 -1.90 -3.43 113.55 107.14 1uiw h SER 49 Ca -0.06 -0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.06 1uiw h SER 49 Cb 1.27 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.21 1uiw h SER 49 CO 0.03 0.00 -0.66 0.42 -0.87 0.00 0.00 176.83 175.75 1uiw s THR 50 N -3.21 0.28 0.20 2.95 -4.23 -1.26 -5.04 115.64 105.33 1uiw s THR 50 Ca 0.07 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 58.56 1uiw s THR 50 Cb 0.06 -1.89 0.13 0.00 1.34 0.00 0.00 72.50 72.15 1uiw s THR 50 CO 0.68 -0.64 1.71 -0.65 -0.54 0.00 0.00 174.62 175.18 1uiw h PRO 51 N 2.92 0.24 -0.63 3.99 0.11 -1.98 -1.74 132.00 134.91 1uiw h PRO 51 Ca -0.35 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.69 1uiw h PRO 51 Cb 1.18 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1uiw h PRO 51 CO 0.62 0.16 0.17 -0.44 -0.21 0.00 0.00 178.00 178.30 1uiw h ASP 52 N 0.25 0.91 -0.94 -2.05 3.45 -1.99 -1.23 116.42 114.82 1uiw h ASP 52 Ca 0.28 -0.17 0.02 0.00 0.43 0.00 0.00 57.03 57.58 1uiw h ASP 52 Cb 0.39 -0.24 -0.05 0.00 -0.56 0.00 0.00 39.33 38.87 1uiw h ASP 52 CO -0.36 0.87 0.62 0.00 -1.57 0.00 0.00 179.24 178.80 1uiw h ALA 53 N 1.25 1.21 0.33 3.45 0.00 -1.77 -2.29 119.26 121.44 1uiw h ALA 53 Ca 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1uiw h ALA 53 Cb 0.31 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1uiw h ALA 53 CO -0.00 0.57 -0.16 0.28 0.00 0.00 0.00 179.25 179.93 1uiw h VAL 54 N 1.26 0.60 -0.70 0.00 2.07 -1.10 -2.96 116.25 115.41 1uiw h VAL 54 Ca 0.35 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 1uiw h VAL 54 Cb -0.11 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1uiw h VAL 54 CO -0.09 0.11 0.31 0.24 0.02 0.00 0.00 177.57 178.17 1uiw h MET 55 N -0.84 1.01 -0.21 1.57 2.86 -1.19 -2.52 114.93 115.61 1uiw h MET 55 Ca -0.05 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1uiw h MET 55 Cb 0.53 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1uiw h MET 55 CO 0.08 0.80 0.00 0.41 1.06 0.00 0.00 176.91 179.25 1uiw n GLY 56 N -1.04 0.70 3.64 8.32 0.00 -0.87 -4.82 105.19 111.13 1uiw n GLY 56 Ca 0.06 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 1uiw n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1uiw n ASN 57 N 0.69 3.79 0.05 1.61 2.85 -0.95 -4.90 115.26 118.40 1uiw n ASN 57 Ca 0.17 0.69 0.08 0.00 -0.11 0.00 0.00 54.58 55.42 1uiw n ASN 57 Cb 0.42 -1.51 0.52 0.00 1.24 0.00 0.00 39.78 40.45 1uiw n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1uiw h PRO 58 N 11.82 0.32 -0.07 1.20 0.13 -1.91 -1.68 132.00 141.79 1uiw h PRO 58 Ca -0.47 -0.02 -0.17 0.00 -0.87 0.00 0.00 66.00 64.47 1uiw h PRO 58 Cb 1.25 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1uiw h PRO 58 CO 0.95 0.21 -0.71 0.87 -0.23 0.00 0.00 178.00 179.09 1uiw h LYS 59 N 0.33 0.35 -0.27 0.86 1.57 -1.90 -1.65 116.57 115.85 1uiw h LYS 59 Ca 0.15 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1uiw h LYS 59 Cb 0.18 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1uiw h LYS 59 CO -0.03 0.92 0.11 0.28 -0.57 0.00 0.00 179.45 180.16 1uiw h VAL 60 N 0.24 1.17 -0.61 0.50 2.07 -1.71 -1.59 116.25 116.31 1uiw h VAL 60 Ca -0.02 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1uiw h VAL 60 Cb 1.27 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1uiw h VAL 60 CO 0.12 0.17 0.32 0.11 0.02 0.00 0.00 177.57 178.31 1uiw h LYS 61 N 0.29 0.87 -0.56 1.57 1.57 -1.29 -1.28 116.57 117.73 1uiw h LYS 61 Ca 0.09 -0.11 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1uiw h LYS 61 Cb 0.16 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1uiw h LYS 61 CO -0.01 0.67 0.17 0.00 -0.57 0.00 0.00 179.45 179.71 1uiw h ALA 62 N 1.15 0.73 -0.47 3.86 0.00 -1.25 -2.42 119.26 120.86 1uiw h ALA 62 Ca 0.21 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1uiw h ALA 62 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1uiw h ALA 62 CO -0.03 0.40 -0.16 1.25 0.00 0.00 0.00 179.25 180.71 1uiw h HIS 63 N 0.78 1.03 -0.77 0.00 -0.00 -1.14 -2.87 115.15 112.18 1uiw h HIS 63 Ca 0.18 -0.22 0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1uiw h HIS 63 Cb 0.29 -0.25 -0.04 0.00 -0.00 0.00 0.00 27.41 27.41 1uiw h HIS 63 CO 0.02 1.00 0.51 0.78 -0.00 0.00 0.00 177.93 180.24 1uiw h GLY 64 N 0.94 1.09 1.00 5.26 0.00 -1.12 -1.09 103.07 109.15 1uiw h GLY 64 Ca 0.12 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1uiw h GLY 64 CO 0.05 0.36 0.37 1.70 0.00 0.00 0.00 176.54 179.03 1uiw h LYS 65 N 1.00 0.78 -0.29 4.80 3.64 -1.30 -1.58 116.57 123.63 1uiw h LYS 65 Ca 0.30 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.59 1uiw h LYS 65 Cb -0.04 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.60 1uiw h LYS 65 CO -0.08 0.54 0.05 -0.22 -2.27 0.00 0.00 179.45 177.47 1uiw h LYS 66 N 0.79 0.47 -0.08 1.90 3.64 -1.20 -1.55 116.57 120.54 1uiw h LYS 66 Ca 0.21 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1uiw h LYS 66 Cb -0.06 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1uiw h LYS 66 CO -0.04 0.58 0.02 0.28 -2.27 0.00 0.00 179.45 178.01 1uiw h VAL 67 N 0.29 1.20 0.00 2.00 2.07 -1.19 -2.78 116.25 117.85 1uiw h VAL 67 Ca 0.09 -0.63 -0.07 0.00 0.82 0.00 0.00 66.70 66.91 1uiw h VAL 67 Cb 0.33 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1uiw h VAL 67 CO 0.00 0.18 -0.33 0.25 0.02 0.00 0.00 177.57 177.70 1uiw h LEU 68 N -0.09 0.00 -0.37 2.57 6.46 -1.34 -2.34 115.31 120.20 1uiw h LEU 68 Ca 0.03 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1uiw h LEU 68 Cb 0.27 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 1uiw h LEU 68 CO 0.00 0.33 0.23 1.23 -0.62 0.00 0.00 178.44 179.61 1uiw h GLY 69 N 2.52 0.52 1.24 3.75 0.00 -1.22 0.61 103.07 110.49 1uiw h GLY 69 Ca -0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 1uiw h GLY 69 CO 0.04 0.20 -0.06 0.00 0.00 0.00 0.00 176.54 176.72 1uiw h ALA 70 N 1.12 0.93 -0.07 3.60 0.00 -1.32 -2.07 119.26 121.45 1uiw h ALA 70 Ca 0.13 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1uiw h ALA 70 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1uiw h ALA 70 CO -0.03 0.63 0.03 0.35 0.00 0.00 0.00 179.25 180.23 1uiw h PHE 71 N 0.83 0.05 -0.57 0.00 3.04 -1.25 -2.73 116.94 116.30 1uiw h PHE 71 Ca 0.14 0.00 0.07 0.00 3.98 0.00 0.00 57.97 62.17 1uiw h PHE 71 Cb 0.57 -0.01 -0.06 0.00 2.56 0.00 0.00 35.95 39.01 1uiw h PHE 71 CO 0.03 0.03 0.25 1.03 -2.02 0.00 0.00 178.31 177.63 1uiw h SER 72 N 0.06 0.32 -0.83 0.41 0.87 -0.79 -2.08 113.55 111.50 1uiw h SER 72 Ca 0.03 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1uiw h SER 72 Cb 0.01 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.93 1uiw h SER 72 CO -0.03 0.21 0.53 0.44 -0.53 0.00 0.00 176.83 177.45 1uiw h ASP 73 N 0.47 0.98 0.66 6.23 3.32 -1.31 -2.60 116.42 124.18 1uiw h ASP 73 Ca 0.27 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 1uiw h ASP 73 Cb 0.25 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1uiw h ASP 73 CO -0.23 0.73 -0.27 1.23 -1.72 0.00 0.00 179.24 178.99 1uiw h GLY 74 N 1.15 0.00 2.00 2.75 0.00 -1.07 -2.89 103.07 105.02 1uiw h GLY 74 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1uiw h GLY 74 CO -0.06 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.89 1uiw h LEU 75 N 0.00 0.00 -0.01 3.11 3.38 -1.21 -1.08 115.31 119.51 1uiw h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uiw h LEU 75 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1uiw h LEU 75 CO 0.03 0.00 -0.02 0.00 0.09 0.00 0.00 178.44 178.54 1uiw n ALA 76 N -1.86 2.43 -3.28 1.53 0.00 -1.09 -4.57 120.51 113.67 1uiw n ALA 76 Ca -0.01 -0.13 -0.25 0.00 0.00 0.00 0.00 53.44 53.05 1uiw n ALA 76 Cb 0.08 -1.46 -0.07 0.00 0.00 0.00 0.00 19.45 17.99 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 -1.42 1.22 0.87 0.00 8.25 -0.41 -4.97 115.22 118.76 1uiw n HIS 77 Ca 0.09 -3.80 0.13 0.00 -0.26 0.00 0.00 57.72 53.89 1uiw n HIS 77 Cb 0.31 -0.43 0.38 0.00 1.12 0.00 0.00 29.99 31.37 1uiw n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1uiw n LEU 78 N 1.19 0.41 -0.07 2.41 4.32 -1.26 -4.07 117.00 119.94 1uiw n LEU 78 Ca 0.25 0.29 -0.08 0.00 -0.02 0.00 0.00 56.01 56.44 1uiw n LEU 78 Cb 0.48 -0.33 0.08 0.00 -1.62 0.00 0.00 43.42 42.03 1uiw n LEU 78 CO 0.27 0.01 0.66 0.44 -1.22 0.00 0.00 177.39 177.54 1uiw h ASP 79 N 0.00 0.77 -1.80 -1.43 3.32 -1.96 -3.39 116.42 111.92 1uiw h ASP 79 Ca 0.00 -0.30 -0.49 0.00 0.02 0.00 0.00 57.03 56.26 1uiw h ASP 79 Cb 0.58 -0.21 -0.33 0.00 0.22 0.00 0.00 39.33 39.58 1uiw h ASP 79 CO 0.00 1.01 -0.93 -3.20 -1.72 0.00 0.00 179.24 174.40 1uiw n ASN 80 N -4.08 -0.80 -0.07 6.45 5.15 -1.26 -5.00 115.26 115.65 1uiw n ASN 80 Ca -0.01 -2.67 0.02 0.00 -0.60 0.00 0.00 54.58 51.33 1uiw n ASN 80 Cb 0.47 -0.08 0.34 0.00 -0.53 0.00 0.00 39.78 39.98 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 4.70 0.60 -0.58 1.20 3.38 -1.77 -1.89 115.31 120.96 1uiw h LEU 81 Ca 0.12 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.14 1uiw h LEU 81 Cb 0.93 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.46 1uiw h LEU 81 CO 0.37 0.48 0.22 0.11 0.09 0.00 0.00 178.44 179.71 1uiw h LYS 82 N 0.69 0.40 -0.41 1.13 1.57 -1.89 -1.08 116.57 116.97 1uiw h LYS 82 Ca 0.18 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.80 1uiw h LYS 82 Cb 0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1uiw h LYS 82 CO -0.03 0.26 -0.27 0.78 -0.57 0.00 0.00 179.45 179.63 1uiw h GLY 83 N 0.41 0.99 1.02 3.86 0.00 -1.81 -2.62 103.07 104.92 1uiw h GLY 83 Ca 0.29 -0.93 -0.00 0.00 0.00 0.00 0.00 47.33 46.68 1uiw h GLY 83 CO -0.28 0.85 0.54 -0.84 0.00 0.00 0.00 176.54 176.81 1uiw h THR 84 N 0.74 1.24 -0.70 4.70 2.02 -1.04 -3.06 112.91 116.81 1uiw h THR 84 Ca 0.08 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.74 1uiw h THR 84 Cb 0.85 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 1uiw h THR 84 CO 0.07 0.25 0.00 0.49 0.37 0.00 0.00 175.52 176.71 1uiw n PHE 85 N -4.41 0.95 -0.16 3.16 3.72 -0.44 -4.65 117.46 115.63 1uiw n PHE 85 Ca 0.10 -0.47 -0.05 0.00 -0.05 0.00 0.00 57.45 56.98 1uiw n PHE 85 Cb 0.05 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.63 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 4.28 0.63 -0.42 4.37 0.00 -1.36 -0.53 119.26 126.22 1uiw h ALA 86 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1uiw h ALA 86 Cb 0.95 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1uiw h ALA 86 CO 0.01 -0.09 0.24 1.15 0.00 0.00 0.00 179.25 180.56 1uiw h THR 87 N 0.50 1.15 -0.14 0.00 2.02 -1.83 -1.85 112.91 112.76 1uiw h THR 87 Ca 0.22 -0.36 -0.09 0.00 0.77 0.00 0.00 66.41 66.94 1uiw h THR 87 Cb 0.12 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1uiw h THR 87 CO -0.15 0.15 -0.33 -0.07 0.37 0.00 0.00 175.52 175.49 1uiw h LEU 88 N 0.56 0.28 0.05 2.58 3.38 -1.83 -2.20 115.31 118.13 1uiw h LEU 88 Ca 0.15 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1uiw h LEU 88 Cb 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1uiw h LEU 88 CO -0.03 0.61 -0.03 -1.28 0.09 0.00 0.00 178.44 177.81 1uiw h SER 89 N 0.24 -0.06 -0.74 -0.43 0.87 -0.76 -1.49 113.55 111.18 1uiw h SER 89 Ca 0.03 -0.04 0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1uiw h SER 89 Cb 0.71 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.63 1uiw h SER 89 CO 0.05 -0.00 0.44 -0.33 -0.53 0.00 0.00 176.83 176.46 1uiw h GLU 90 N -0.11 0.80 -0.38 2.24 5.08 -1.23 -1.88 114.58 119.10 1uiw h GLU 90 Ca -0.01 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1uiw h GLU 90 Cb 0.09 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1uiw h GLU 90 CO 0.01 0.53 0.15 1.25 -1.00 0.00 0.00 179.01 179.95 1uiw h LEU 91 N 0.82 0.52 -1.06 1.33 5.85 -1.26 -0.25 115.31 121.28 1uiw h LEU 91 Ca 0.32 -0.16 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 1uiw h LEU 91 Cb 0.15 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1uiw h LEU 91 CO -0.16 0.54 -0.37 0.45 -0.34 0.00 0.00 178.44 178.56 1uiw h HIS 92 N 0.47 0.22 0.03 1.25 3.86 -1.00 -1.74 115.15 118.23 1uiw h HIS 92 Ca 0.13 -0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1uiw h HIS 92 Cb 0.18 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.60 1uiw h HIS 92 CO -0.00 0.54 -0.02 0.00 0.86 0.00 0.00 177.93 179.31 1uiw h ASP 94 N -0.97 0.00 0.00 0.00 3.32 -1.06 -3.26 116.42 114.44 1uiw h ASP 94 Ca -0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.78 1uiw h ASP 94 Cb 0.54 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 1uiw h ASP 94 CO 0.01 0.43 -1.92 0.29 -1.72 0.00 0.00 179.24 176.32 1uiw n LYS 95 N -2.90 0.37 0.07 3.56 4.76 -0.72 -4.81 118.16 118.49 1uiw n LYS 95 Ca -0.05 0.13 0.10 0.00 -2.87 0.00 0.00 58.31 55.61 1uiw n LYS 95 Cb 0.75 -1.20 -0.05 0.00 -1.84 0.00 0.00 35.03 32.70 1uiw n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1uiw n LEU 96 N -3.39 0.63 -3.68 -0.35 4.77 -0.80 -5.01 117.00 109.18 1uiw n LEU 96 Ca -0.31 0.25 -0.22 0.00 -0.03 0.00 0.00 56.01 55.70 1uiw n LEU 96 Cb 0.76 -0.03 0.04 0.00 -2.33 0.00 0.00 43.42 41.87 1uiw n LEU 96 CO 0.08 -0.11 -0.02 1.41 -1.33 0.00 0.00 177.39 177.42 1uiw n HIS 97 N -2.59 -2.01 -3.43 -1.77 8.25 -0.52 -4.98 115.22 108.17 1uiw n HIS 97 Ca -0.02 0.86 -0.41 0.00 -0.26 0.00 0.00 57.72 57.89 1uiw n HIS 97 Cb 0.59 -4.46 -0.10 0.00 1.12 0.00 0.00 29.99 27.14 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 -3.59 5.19 0.02 1.59 1.01 -0.85 -5.05 120.40 118.72 1uiw s VAL 98 Ca 0.08 -0.05 -0.34 0.00 0.00 0.00 0.00 61.98 61.66 1uiw s VAL 98 Cb -0.04 -3.81 -0.13 0.00 0.00 0.00 0.00 36.38 32.40 1uiw s VAL 98 CO 0.80 -0.09 1.73 -0.67 0.00 0.00 0.00 175.10 176.87 1uiw n ASP 99 N 5.32 3.21 0.25 3.32 -0.08 -1.26 -4.80 116.55 122.52 1uiw n ASP 99 Ca -0.10 1.03 0.15 0.00 -1.51 0.00 0.00 54.79 54.36 1uiw n ASP 99 Cb 0.49 -1.38 0.82 0.00 2.34 0.00 0.00 41.12 43.38 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 7.61 0.00 -0.48 -0.67 0.11 -1.97 -1.71 132.00 134.90 1uiw h PRO 100 Ca -0.47 0.00 0.13 0.00 0.11 0.00 0.00 66.00 65.78 1uiw h PRO 100 Cb 1.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1uiw h PRO 100 CO 0.92 0.00 0.34 1.49 -0.21 0.00 0.00 178.00 180.54 1uiw h GLU 101 N 0.00 0.02 -0.64 1.05 4.57 -1.98 -1.26 114.58 116.33 1uiw h GLU 101 Ca 0.00 -0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 1uiw h GLU 101 Cb 0.15 -0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 1uiw h GLU 101 CO 0.00 0.01 0.42 -0.91 -1.18 0.00 0.00 179.01 177.36 1uiw h ASN 102 N 0.02 0.63 -0.33 1.04 4.21 -1.68 -1.76 115.58 117.71 1uiw h ASN 102 Ca 0.23 -0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.62 1uiw h ASN 102 Cb 0.88 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 37.92 1uiw h ASN 102 CO -0.01 0.43 -0.17 -0.26 -1.29 0.00 0.00 177.43 176.13 1uiw h PHE 103 N 0.73 0.89 -0.32 1.19 0.04 -1.43 -1.49 116.94 116.55 1uiw h PHE 103 Ca 0.26 -0.19 -0.10 0.00 2.80 0.00 0.00 57.97 60.74 1uiw h PHE 103 Cb 0.13 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 1uiw h PHE 103 CO -0.00 0.91 -0.21 0.00 -0.60 0.00 0.00 178.31 178.41 1uiw h ARG 104 N 0.70 0.71 -0.61 1.51 3.08 -1.41 -1.95 114.38 116.42 1uiw h ARG 104 Ca 0.11 -0.33 0.01 0.00 0.07 0.00 0.00 59.98 59.84 1uiw h ARG 104 Cb 0.68 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1uiw h ARG 104 CO 0.05 0.94 0.39 -0.07 -1.07 0.00 0.00 179.97 180.21 1uiw h LEU 105 N 0.48 0.67 -0.96 3.04 3.38 -1.22 -2.58 115.31 118.11 1uiw h LEU 105 Ca 0.07 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1uiw h LEU 105 Cb 0.76 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1uiw h LEU 105 CO 0.06 0.48 0.27 0.25 0.09 0.00 0.00 178.44 179.58 1uiw h LEU 106 N 0.80 0.93 -0.60 1.67 5.85 -1.20 -2.31 115.31 120.45 1uiw h LEU 106 Ca 0.23 -0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1uiw h LEU 106 Cb -0.06 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.70 1uiw h LEU 106 CO -0.07 0.84 0.38 1.23 -0.34 0.00 0.00 178.44 180.48 1uiw h GLY 107 N 1.07 0.85 1.39 3.75 0.00 -1.08 0.10 103.07 109.15 1uiw h GLY 107 Ca 0.23 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 1uiw h GLY 107 CO -0.02 0.26 -0.40 3.43 0.00 0.00 0.00 176.54 179.82 1uiw h ASN 108 N 0.76 0.72 -0.48 0.19 2.35 -1.17 -1.82 115.58 116.12 1uiw h ASN 108 Ca 0.23 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 1uiw h ASN 108 Cb -0.02 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1uiw h ASN 108 CO -0.08 1.03 0.15 0.58 -1.65 0.00 0.00 177.43 177.46 1uiw h VAL 109 N 0.56 1.23 -0.62 2.81 2.07 -1.22 -2.44 116.25 118.63 1uiw h VAL 109 Ca 0.05 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 66.88 1uiw h VAL 109 Cb 0.92 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.45 1uiw h VAL 109 CO 0.08 0.27 0.32 0.25 0.02 0.00 0.00 177.57 178.52 1uiw h LEU 110 N 0.64 0.46 -0.69 2.57 5.85 -0.80 -1.01 115.31 122.32 1uiw h LEU 110 Ca 0.15 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1uiw h LEU 110 Cb 0.27 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1uiw h LEU 110 CO -0.01 0.30 0.43 0.58 -0.34 0.00 0.00 178.44 179.40 1uiw h VAL 111 N 0.60 1.07 -0.62 1.05 2.07 -1.22 -0.70 116.25 118.50 1uiw h VAL 111 Ca 0.28 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1uiw h VAL 111 Cb 0.21 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.12 1uiw h VAL 111 CO -0.20 0.15 0.38 0.00 0.02 0.00 0.00 177.57 177.92 1uiw h VAL 113 N 0.75 1.23 -0.85 0.00 2.07 -0.76 -1.14 116.25 117.54 1uiw h VAL 113 Ca 0.25 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 1uiw h VAL 113 Cb 0.02 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.44 1uiw h VAL 113 CO -0.10 0.28 0.44 -0.07 0.02 0.00 0.00 177.57 178.14 1uiw h LEU 114 N 0.74 1.08 -0.25 2.57 3.38 -0.97 -0.81 115.31 121.05 1uiw h LEU 114 Ca 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1uiw h LEU 114 Cb 0.24 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1uiw h LEU 114 CO -0.01 0.89 0.02 0.00 0.09 0.00 0.00 178.44 179.43 1uiw h ALA 115 N 1.28 0.33 -0.83 1.53 0.00 -1.19 -1.64 119.26 118.74 1uiw h ALA 115 Ca 0.30 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1uiw h ALA 115 Cb 0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 1uiw h ALA 115 CO -0.04 0.03 0.51 1.25 0.00 0.00 0.00 179.25 181.00 1uiw h HIS 116 N 0.21 0.95 -0.04 0.00 -0.00 -0.98 -0.56 115.15 114.73 1uiw h HIS 116 Ca 0.07 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.42 1uiw h HIS 116 Cb 0.37 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.47 1uiw h HIS 116 CO 0.03 0.50 -0.18 1.25 -0.00 0.00 0.00 177.93 179.53 1uiw h HIS 117 N 0.96 0.25 0.00 5.26 6.17 -1.12 -3.38 115.15 123.30 1uiw h HIS 117 Ca 0.35 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 61.32 1uiw h HIS 117 Cb 0.12 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.01 1uiw h HIS 117 CO -0.03 0.82 -0.97 0.74 0.71 0.00 0.00 177.93 179.19 1uiw h PHE 118 N -0.39 0.00 0.00 5.26 0.04 -1.30 -3.50 116.94 117.05 1uiw h PHE 118 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1uiw h PHE 118 Cb 0.84 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.99 1uiw h PHE 118 CO 0.14 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.26 1uiw n GLY 119 N 1.18 3.58 0.31 -1.45 0.00 -0.22 -2.76 105.19 105.83 1uiw n GLY 119 Ca 0.00 -0.10 0.18 0.00 0.00 0.00 0.00 46.02 46.10 1uiw n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1uiw h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.96 -1.34 116.57 116.98 1uiw h LYS 120 Ca 0.00 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.62 1uiw h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1uiw h LYS 120 CO 0.00 0.00 -0.12 1.49 -2.00 0.00 0.00 179.45 178.82 1uiw h GLU 121 N 0.00 0.00 -4.39 0.07 4.81 -1.92 -3.31 114.58 109.84 1uiw h GLU 121 Ca -0.00 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.50 1uiw h GLU 121 Cb 0.02 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.27 1uiw h GLU 121 CO 0.00 0.12 2.08 0.34 -0.73 0.00 0.00 179.01 180.82 1uiw n PHE 122 N -3.85 3.96 -1.34 0.92 7.35 -0.51 -4.95 117.46 119.05 1uiw n PHE 122 Ca -0.02 -3.00 -0.30 0.00 -0.76 0.00 0.00 57.45 53.37 1uiw n PHE 122 Cb 0.22 -2.26 0.11 0.00 0.35 0.00 0.00 39.48 37.90 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 1.96 2.93 0.22 -2.13 -4.23 -1.25 -4.74 115.64 108.41 1uiw s THR 123 Ca 0.45 0.30 -0.08 0.00 -1.18 0.00 0.00 61.69 61.18 1uiw s THR 123 Cb 0.06 -2.89 0.17 0.00 1.34 0.00 0.00 72.50 71.18 1uiw s THR 123 CO -0.00 -0.40 1.77 -0.65 -0.54 0.00 0.00 174.62 174.80 1uiw h PRO 124 N -1.31 0.54 -0.61 3.99 0.11 -1.94 -0.89 132.00 131.89 1uiw h PRO 124 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1uiw h PRO 124 Cb 1.27 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 1uiw h PRO 124 CO 0.56 0.36 0.33 -1.35 -0.21 0.00 0.00 178.00 177.68 1uiw h PRO 125 N 0.55 0.84 -0.43 1.05 0.11 -2.00 -2.07 132.00 130.05 1uiw h PRO 125 Ca 0.34 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 66.31 1uiw h PRO 125 Cb 0.37 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 1uiw h PRO 125 CO -0.27 0.62 0.07 0.28 -0.21 0.00 0.00 178.00 178.49 1uiw h VAL 126 N 0.85 1.24 -0.52 3.15 2.07 -1.80 -2.36 116.25 118.88 1uiw h VAL 126 Ca 0.22 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.87 1uiw h VAL 126 Cb 0.03 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1uiw h VAL 126 CO -0.03 0.31 0.30 -0.61 0.02 0.00 0.00 177.57 177.56 1uiw h GLN 127 N 0.58 0.58 -0.96 1.57 4.15 -1.00 -1.58 115.11 118.44 1uiw h GLN 127 Ca 0.13 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.55 1uiw h GLN 127 Cb 0.38 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.89 1uiw h GLN 127 CO 0.01 0.38 0.63 0.00 -1.93 0.00 0.00 178.83 177.92 1uiw h ALA 128 N 1.25 1.26 -0.37 3.38 0.00 -1.19 0.10 119.26 123.68 1uiw h ALA 128 Ca 0.22 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1uiw h ALA 128 Cb 0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1uiw h ALA 128 CO -0.11 0.52 0.16 0.00 0.00 0.00 0.00 179.25 179.82 1uiw h ALA 129 N 1.39 0.48 -0.14 0.00 0.00 -1.06 -2.79 119.26 117.14 1uiw h ALA 129 Ca 0.38 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1uiw h ALA 129 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1uiw h ALA 129 CO -0.11 0.07 -0.19 1.88 0.00 0.00 0.00 179.25 180.89 1uiw h TYR 130 N 0.46 0.26 -0.68 0.00 0.05 -0.78 -2.31 116.97 113.96 1uiw h TYR 130 Ca 0.13 -0.04 -0.05 0.00 0.05 0.00 0.00 58.73 58.82 1uiw h TYR 130 Cb 0.16 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.80 1uiw h TYR 130 CO -0.01 0.42 0.24 1.96 -1.05 0.00 0.00 178.16 179.72 1uiw h GLN 131 N 0.22 1.02 -0.76 4.88 1.08 -0.66 -1.04 115.11 119.86 1uiw h GLN 131 Ca 0.04 -0.19 -0.05 0.00 -1.45 0.00 0.00 58.65 57.00 1uiw h GLN 131 Cb 0.47 -0.16 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 1uiw h GLN 131 CO 0.03 0.86 0.29 0.87 -0.95 0.00 0.00 178.83 179.93 1uiw h LYS 132 N 0.99 1.15 0.29 1.46 1.57 -1.22 -2.20 116.57 118.61 1uiw h LYS 132 Ca 0.22 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1uiw h LYS 132 Cb 0.24 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1uiw h LYS 132 CO -0.01 0.94 -0.14 0.28 -0.57 0.00 0.00 179.45 179.95 1uiw h VAL 133 N 1.11 0.74 -0.29 0.50 2.07 -0.93 -1.16 116.25 118.29 1uiw h VAL 133 Ca 0.25 -0.24 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 1uiw h VAL 133 Cb 0.24 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1uiw h VAL 133 CO -0.02 0.05 -0.24 -0.37 0.02 0.00 0.00 177.57 177.01 1uiw h VAL 134 N -0.52 1.27 -0.63 2.57 -1.51 -1.21 -0.70 116.25 115.52 1uiw h VAL 134 Ca -0.04 -1.29 -0.05 0.00 -1.23 0.00 0.00 66.70 64.09 1uiw h VAL 134 Cb 0.39 1.31 -0.03 0.00 -2.13 0.00 0.00 31.29 30.83 1uiw h VAL 134 CO 0.07 0.42 0.19 0.00 -1.23 0.00 0.00 177.57 177.01 1uiw h ALA 135 N 1.24 0.83 -0.47 5.19 0.00 -1.40 -1.54 119.26 123.12 1uiw h ALA 135 Ca 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1uiw h ALA 135 Cb 0.69 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1uiw h ALA 135 CO 0.05 0.51 0.20 0.78 0.00 0.00 0.00 179.25 180.79 1uiw h GLY 136 N 0.91 0.74 0.94 0.00 0.00 -0.73 -0.62 103.07 104.31 1uiw h GLY 136 Ca 0.20 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1uiw h GLY 136 CO -0.01 0.37 0.02 -2.08 0.00 0.00 0.00 176.54 174.85 1uiw h VAL 137 N 0.61 1.25 -0.47 4.60 2.07 -1.09 -1.66 116.25 121.57 1uiw h VAL 137 Ca 0.16 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 1uiw h VAL 137 Cb 0.17 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1uiw h VAL 137 CO -0.02 0.32 0.17 0.00 0.02 0.00 0.00 177.57 178.07 1uiw h ALA 138 N 0.89 0.61 -0.90 1.67 0.00 -1.20 -0.95 119.26 119.38 1uiw h ALA 138 Ca 0.11 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1uiw h ALA 138 Cb 0.44 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1uiw h ALA 138 CO 0.02 0.24 0.59 -0.91 0.00 0.00 0.00 179.25 179.19 1uiw h ASN 139 N 0.62 1.00 -0.44 0.00 -0.26 -1.10 -1.20 115.58 114.20 1uiw h ASN 139 Ca 0.16 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.82 1uiw h ASN 139 Cb 0.22 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.23 1uiw h ASN 139 CO -0.01 0.70 0.05 0.00 -1.06 0.00 0.00 177.43 177.11 1uiw h ALA 140 N 1.36 0.59 0.00 -0.83 0.00 -1.00 -2.65 119.26 116.72 1uiw h ALA 140 Ca 0.35 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1uiw h ALA 140 Cb -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1uiw h ALA 140 CO -0.10 0.34 -0.19 -0.07 0.00 0.00 0.00 179.25 179.23 1uiw h LEU 141 N 0.60 0.00 0.00 0.00 3.38 -0.99 -2.75 115.31 115.56 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 0.19 -0.08 0.00 0.09 0.00 0.00 178.44 178.65 1uiw n ALA 142 N -2.29 2.41 0.03 1.53 0.00 -0.47 -4.49 120.51 117.23 1uiw n ALA 142 Ca -0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 1uiw n ALA 142 Cb 0.32 -1.43 0.20 0.00 0.00 0.00 0.00 19.45 18.55 1uiw n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1uiw h HIS 143 N 0.00 0.50 -0.14 0.00 6.17 -1.16 -2.81 115.15 117.71 1uiw h HIS 143 Ca 0.00 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 60.97 1uiw h HIS 143 Cb 0.67 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.48 1uiw h HIS 143 CO 0.00 0.68 0.00 1.63 0.71 0.00 0.00 177.93 180.95 1uiw n LYS 144 N -4.11 1.51 -2.69 5.26 4.76 -1.26 -4.74 118.16 116.89 1uiw n LYS 144 Ca -0.01 -0.78 -0.42 0.00 -2.87 0.00 0.00 58.31 54.24 1uiw n LYS 144 Cb 0.42 -1.32 -0.03 0.00 -1.84 0.00 0.00 35.03 32.25 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 -1.82 2.55 -0.62 2.13 1.51 -1.06 -4.88 117.35 115.16 1uiw s TYR 145 Ca 0.27 -0.52 0.05 0.00 -1.01 0.00 0.00 57.07 55.87 1uiw s TYR 145 Cb 0.14 -4.50 0.04 0.00 -0.11 0.00 0.00 41.96 37.53 1uiw s TYR 145 CO 0.22 -1.85 0.66 0.72 -1.11 0.00 0.00 175.55 174.18