#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 1.62 -3.16 3.52 -0.00 -1.26 -4.85 115.22 111.09 1uiw n HIS 2 Ca 0.00 -2.01 -0.36 0.00 -0.00 0.00 0.00 57.72 55.34 1uiw n HIS 2 Cb 0.00 -1.75 -0.06 0.00 -0.00 0.00 0.00 29.99 28.18 1uiw n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1uiw s LEU 3 N 0.45 4.37 0.82 0.27 1.02 -1.26 -5.09 118.68 119.25 1uiw s LEU 3 Ca 0.46 1.35 -0.12 0.00 0.02 0.00 0.00 54.13 55.84 1uiw s LEU 3 Cb 0.12 -3.46 0.08 0.00 0.02 0.00 0.00 46.19 42.95 1uiw s LEU 3 CO 0.00 0.07 1.10 0.42 0.02 0.00 0.00 176.35 177.97 1uiw s THR 4 N -1.46 2.86 0.34 5.49 -4.23 -1.26 -4.85 115.64 112.53 1uiw s THR 4 Ca 0.41 0.28 0.03 0.00 -1.18 0.00 0.00 61.69 61.22 1uiw s THR 4 Cb -0.17 -3.02 0.20 0.00 1.34 0.00 0.00 72.50 70.86 1uiw s THR 4 CO 0.21 -0.37 1.93 -0.65 -0.54 0.00 0.00 174.62 175.20 1uiw h PRO 5 N -1.18 0.70 -0.38 3.99 0.11 -1.99 -1.06 132.00 132.19 1uiw h PRO 5 Ca -0.48 -0.10 -0.13 0.00 0.11 0.00 0.00 66.00 65.41 1uiw h PRO 5 Cb 1.28 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1uiw h PRO 5 CO 0.60 0.58 -0.28 1.05 -0.21 0.00 0.00 178.00 179.73 1uiw h GLU 6 N 0.69 0.80 -0.56 1.05 9.09 -1.99 -2.02 114.58 121.64 1uiw h GLU 6 Ca 0.17 -0.36 -0.04 0.00 0.05 0.00 0.00 59.36 59.18 1uiw h GLU 6 Cb 0.14 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.20 1uiw h GLU 6 CO -0.02 0.98 0.19 0.93 0.05 0.00 0.00 179.01 181.15 1uiw h GLU 7 N 0.68 0.87 -0.61 1.06 5.08 -1.85 -1.73 114.58 118.08 1uiw h GLU 7 Ca 0.08 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1uiw h GLU 7 Cb 0.82 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 1uiw h GLU 7 CO 0.07 0.78 0.39 0.87 -1.00 0.00 0.00 179.01 180.11 1uiw h LYS 8 N 0.78 0.76 -0.36 2.33 1.57 -1.09 -1.44 116.57 119.13 1uiw h LYS 8 Ca 0.18 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.84 1uiw h LYS 8 Cb 0.26 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1uiw h LYS 8 CO -0.01 0.50 -0.09 0.66 -0.57 0.00 0.00 179.45 179.94 1uiw h SER 9 N 0.78 0.58 -0.44 0.86 4.64 -1.27 -2.55 113.55 116.15 1uiw h SER 9 Ca 0.23 -0.15 -0.13 0.00 -0.47 0.00 0.00 61.79 61.27 1uiw h SER 9 Cb -0.04 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1uiw h SER 9 CO -0.07 0.72 -0.22 0.00 -0.87 0.00 0.00 176.83 176.38 1uiw h ALA 10 N 1.35 0.73 0.01 5.18 0.00 -0.92 -2.05 119.26 123.56 1uiw h ALA 10 Ca 0.10 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1uiw h ALA 10 Cb 0.49 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1uiw h ALA 10 CO 0.03 0.67 -0.01 0.28 0.00 0.00 0.00 179.25 180.22 1uiw h VAL 11 N 0.83 1.06 -0.43 0.00 2.07 -1.18 -2.72 116.25 115.88 1uiw h VAL 11 Ca 0.11 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.41 1uiw h VAL 11 Cb 0.79 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 1uiw h VAL 11 CO 0.07 0.06 0.28 0.74 0.02 0.00 0.00 177.57 178.73 1uiw h THR 12 N -0.11 1.11 -0.10 2.57 2.02 -1.45 -1.67 112.91 115.28 1uiw h THR 12 Ca -0.00 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 66.98 1uiw h THR 12 Cb 0.11 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1uiw h THR 12 CO 0.00 0.11 0.02 0.00 0.37 0.00 0.00 175.52 176.02 1uiw h ALA 13 N 1.15 0.10 -0.39 6.16 0.00 -1.37 -2.00 119.26 122.92 1uiw h ALA 13 Ca 0.16 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1uiw h ALA 13 Cb -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1uiw h ALA 13 CO -0.03 -0.44 0.19 1.25 0.00 0.00 0.00 179.25 180.21 1uiw h LEU 14 N 0.06 0.51 -1.61 0.00 5.85 -1.44 -3.10 115.31 115.58 1uiw h LEU 14 Ca 0.05 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1uiw h LEU 14 Cb 0.04 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1uiw h LEU 14 CO -0.06 0.50 -0.17 -0.25 -0.34 0.00 0.00 178.44 178.11 1uiw h TRP 15 N 0.49 0.03 -0.02 1.25 2.91 -1.14 -1.43 115.95 118.03 1uiw h TRP 15 Ca 0.13 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.16 1uiw h TRP 15 Cb 0.12 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 28.76 1uiw h TRP 15 CO -0.01 0.20 0.09 0.78 -1.03 0.00 0.00 178.44 178.47 1uiw h GLY 16 N 0.57 0.00 -0.87 2.65 0.00 -1.28 -1.62 103.07 102.51 1uiw h GLY 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1uiw h GLY 16 CO 0.02 0.00 -0.29 0.28 0.00 0.00 0.00 176.54 176.55 1uiw n LYS 17 N -3.19 1.40 -3.10 4.80 5.02 -0.54 -4.96 118.16 117.59 1uiw n LYS 17 Ca -0.02 -1.07 -0.40 0.00 -2.02 0.00 0.00 58.31 54.80 1uiw n LYS 17 Cb 0.16 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.34 5.05 -0.69 -0.18 1.01 -0.61 -5.03 120.40 117.61 1uiw s VAL 18 Ca 0.23 1.31 -0.27 0.00 0.00 0.00 0.00 61.98 63.26 1uiw s VAL 18 Cb 0.19 -3.99 0.03 0.00 0.00 0.00 0.00 36.38 32.62 1uiw s VAL 18 CO 0.49 0.22 1.21 0.21 0.00 0.00 0.00 175.10 177.22 1uiw s ASN 19 N 0.88 6.23 0.16 3.32 3.84 -1.26 -4.94 114.94 123.17 1uiw s ASN 19 Ca 0.34 -0.39 -0.12 0.00 0.21 0.00 0.00 52.86 52.89 1uiw s ASN 19 Cb -0.17 -2.54 0.04 0.00 -0.55 0.00 0.00 41.25 38.04 1uiw s ASN 19 CO 0.15 -1.69 1.66 0.58 -2.79 0.00 0.00 177.10 175.00 1uiw h VAL 20 N 6.05 1.25 -0.43 -5.21 2.07 -1.95 -0.82 116.25 117.20 1uiw h VAL 20 Ca -0.27 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.40 1uiw h VAL 20 Cb 1.05 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1uiw h VAL 20 CO 1.24 0.33 0.15 0.44 0.02 0.00 0.00 177.57 179.75 1uiw h ASP 21 N 0.75 0.15 -0.06 0.57 3.32 -1.92 -0.96 116.42 118.28 1uiw h ASP 21 Ca 0.16 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.24 1uiw h ASP 21 Cb 0.36 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 1uiw h ASP 21 CO 0.01 0.12 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.24 1uiw h GLU 22 N 0.31 0.15 -0.20 3.56 5.08 -1.88 -2.84 114.58 118.76 1uiw h GLU 22 Ca 0.20 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 1uiw h GLU 22 Cb 0.19 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1uiw h GLU 22 CO -0.21 0.62 -0.13 0.28 -1.00 0.00 0.00 179.01 178.58 1uiw h VAL 23 N -0.32 1.20 -0.27 3.13 2.07 -1.17 -2.08 116.25 118.81 1uiw h VAL 23 Ca 0.01 -0.87 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1uiw h VAL 23 Cb 0.60 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1uiw h VAL 23 CO 0.02 0.28 0.11 1.23 0.02 0.00 0.00 177.57 179.22 1uiw h GLY 24 N 0.82 0.43 1.01 2.17 0.00 -1.15 -0.70 103.07 105.65 1uiw h GLY 24 Ca 0.06 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1uiw h GLY 24 CO 0.02 0.22 0.34 -1.33 0.00 0.00 0.00 176.54 175.79 1uiw h GLY 25 N 0.28 1.09 0.97 4.60 0.00 -1.34 -2.14 103.07 106.54 1uiw h GLY 25 Ca 0.09 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.87 1uiw h GLY 25 CO -0.01 0.51 0.21 -2.09 0.00 0.00 0.00 176.54 175.17 1uiw h GLU 26 N 0.99 0.53 -0.27 4.80 4.57 -1.26 -1.77 114.58 122.17 1uiw h GLU 26 Ca 0.24 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1uiw h GLU 26 Cb 0.12 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1uiw h GLU 26 CO -0.03 0.43 -0.09 0.00 -1.18 0.00 0.00 179.01 178.14 1uiw h ALA 27 N 1.07 0.37 -0.48 2.92 0.00 -1.07 -1.23 119.26 120.85 1uiw h ALA 27 Ca 0.14 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1uiw h ALA 27 Cb 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1uiw h ALA 27 CO -0.02 0.21 0.09 1.25 0.00 0.00 0.00 179.25 180.78 1uiw h LEU 28 N 0.28 0.75 -0.38 0.00 5.85 -1.42 -1.63 115.31 118.75 1uiw h LEU 28 Ca 0.06 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1uiw h LEU 28 Cb 0.58 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1uiw h LEU 28 CO 0.03 0.81 0.25 1.23 -0.34 0.00 0.00 178.44 180.42 1uiw h GLY 29 N 0.65 0.55 1.50 3.75 0.00 -1.30 -2.64 103.07 105.57 1uiw h GLY 29 Ca 0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.23 1uiw h GLY 29 CO 0.01 0.21 0.16 3.21 0.00 0.00 0.00 176.54 180.13 1uiw h ARG 30 N 0.51 0.65 -0.29 4.80 3.08 -1.10 -1.95 114.38 120.08 1uiw h ARG 30 Ca 0.14 -0.09 0.05 0.00 0.07 0.00 0.00 59.98 60.15 1uiw h ARG 30 Cb -0.04 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 29.85 1uiw h ARG 30 CO -0.03 0.55 -0.01 1.25 -1.07 0.00 0.00 179.97 180.66 1uiw h LEU 31 N 0.64 -0.13 -1.46 3.04 5.85 -0.99 0.12 115.31 122.38 1uiw h LEU 31 Ca 0.15 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.91 1uiw h LEU 31 Cb 0.16 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1uiw h LEU 31 CO -0.01 -0.03 -0.14 -0.07 -0.34 0.00 0.00 178.44 177.85 1uiw h LEU 32 N 0.08 0.00 0.06 2.25 4.07 -1.09 -1.62 115.31 119.05 1uiw h LEU 32 Ca 0.14 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.93 1uiw h LEU 32 Cb 0.19 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.92 1uiw h LEU 32 CO -0.24 0.14 -0.85 0.58 -1.08 0.00 0.00 178.44 176.98 1uiw h VAL 33 N 0.00 1.32 0.03 1.22 2.07 -1.04 -3.31 116.25 116.53 1uiw h VAL 33 Ca -0.00 -2.36 -0.24 0.00 0.82 0.00 0.00 66.70 64.91 1uiw h VAL 33 Cb 0.56 2.90 0.01 0.00 -1.52 0.00 0.00 31.29 33.24 1uiw h VAL 33 CO 0.02 0.59 -1.02 0.58 0.02 0.00 0.00 177.57 177.76 1uiw h VAL 34 N -0.68 1.38 -2.47 2.57 2.07 -0.99 -3.37 116.25 114.77 1uiw h VAL 34 Ca -0.20 -2.49 -0.60 0.00 0.82 0.00 0.00 66.70 64.23 1uiw h VAL 34 Cb 1.41 2.50 -0.42 0.00 -1.52 0.00 0.00 31.29 33.27 1uiw h VAL 34 CO -0.00 0.75 -0.64 -1.22 0.02 0.00 0.00 177.57 176.48 1uiw n TYR 35 N -3.74 3.05 0.28 1.57 4.01 -0.61 -5.00 117.16 116.72 1uiw n TYR 35 Ca -0.08 -4.13 0.17 0.00 -0.16 0.00 0.00 57.90 53.70 1uiw n TYR 35 Cb 0.88 -0.53 0.86 0.00 -0.31 0.00 0.00 39.34 40.24 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 4.61 0.00 0.00 -0.72 0.13 -1.73 -1.77 132.00 132.52 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 0.75 0.00 -0.00 0.11 -0.23 0.00 0.00 178.00 178.63 1uiw h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.93 -2.09 115.95 113.59 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 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.34 1uiw h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1uiw h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.65 -2.36 112.91 110.38 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 0.01 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1uiw h THR 38 CO 0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1uiw h GLN 39 N 0.00 0.00 -0.31 4.72 4.20 -1.59 -3.23 115.11 118.90 1uiw h GLN 39 Ca 0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1uiw h GLN 39 Cb 0.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 1uiw h GLN 39 CO 0.00 0.00 0.32 0.07 -0.67 0.00 0.00 178.83 178.55 1uiw h ARG 40 N 0.00 0.00 -0.01 1.46 0.11 -1.65 -1.55 114.38 112.74 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 0.03 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.11 1uiw h ARG 40 CO 0.00 0.00 -0.17 1.19 0.10 0.00 0.00 179.97 181.09 1uiw n PHE 41 N -3.80 0.00 -2.11 4.08 3.72 -1.22 -4.43 117.46 113.69 1uiw n PHE 41 Ca 0.05 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.41 1uiw n PHE 41 Cb 0.47 -0.13 0.09 0.00 -0.94 0.00 0.00 39.48 38.98 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 -0.66 1.00 0.22 1.38 3.72 -0.58 -4.83 117.46 117.70 1uiw n PHE 42 Ca 0.14 -1.61 0.07 0.00 -0.05 0.00 0.00 57.45 56.00 1uiw n PHE 42 Cb 0.32 -0.25 0.57 0.00 -0.94 0.00 0.00 39.48 39.18 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 1.61 0.05 0.00 -1.08 4.39 -1.78 -1.71 114.58 116.06 1uiw h GLU 43 Ca 0.03 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1uiw h GLU 43 Cb 1.38 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.02 1uiw h GLU 43 CO 0.27 0.10 0.00 -1.13 -1.16 0.00 0.00 179.01 177.09 1uiw n SER 44 N -4.45 0.00 -0.20 1.42 3.41 -1.26 -3.58 113.62 108.95 1uiw n SER 44 Ca -0.02 -0.44 0.13 0.00 -0.26 0.00 0.00 58.87 58.29 1uiw n SER 44 Cb 0.15 -0.12 0.48 0.00 -0.26 0.00 0.00 64.21 64.46 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 -1.12 0.00 -2.34 7.33 3.01 -0.64 -5.05 117.46 118.65 1uiw n PHE 45 Ca 0.15 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.61 1uiw n PHE 45 Cb 0.12 -0.14 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 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 1.31 0.65 3.64 1.37 0.00 -1.23 -4.76 105.19 106.16 1uiw n GLY 46 Ca 0.13 -1.23 -0.43 0.00 0.00 0.00 0.00 46.02 44.50 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 6.56 -0.14 1.61 2.15 -1.26 -4.88 116.67 116.70 1uiw s ASP 47 Ca 0.00 1.68 0.16 0.00 0.43 0.00 0.00 52.55 54.82 1uiw s ASP 47 Cb 0.00 -2.53 0.43 0.00 -0.30 0.00 0.00 42.92 40.51 1uiw s ASP 47 CO 0.00 -1.10 1.20 0.18 -0.17 0.00 0.00 175.17 175.28 1uiw n LEU 48 N 7.82 2.18 0.12 -1.34 4.77 -1.26 -4.37 117.00 124.92 1uiw n LEU 48 Ca 0.17 -3.27 0.12 0.00 -0.03 0.00 0.00 56.01 53.00 1uiw n LEU 48 Cb 0.45 -0.33 0.18 0.00 -2.33 0.00 0.00 43.42 41.39 1uiw n LEU 48 CO 0.63 1.12 0.49 0.77 -1.33 0.00 0.00 177.39 179.06 1uiw h SER 49 N 1.06 0.00 -5.10 -1.43 4.64 -1.90 -3.44 113.55 107.38 1uiw h SER 49 Ca -0.07 -0.07 -0.18 0.00 -0.47 0.00 0.00 61.79 61.00 1uiw h SER 49 Cb 1.32 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.26 1uiw h SER 49 CO 0.06 0.03 -0.67 0.42 -0.87 0.00 0.00 176.83 175.80 1uiw s THR 50 N -3.21 0.32 0.21 2.95 -4.23 -1.26 -5.03 115.64 105.39 1uiw s THR 50 Ca 0.06 -1.89 -0.09 0.00 -1.18 0.00 0.00 61.69 58.58 1uiw s THR 50 Cb 0.10 -1.83 0.18 0.00 1.34 0.00 0.00 72.50 72.29 1uiw s THR 50 CO 0.70 -0.71 1.70 -0.65 -0.54 0.00 0.00 174.62 175.12 1uiw h PRO 51 N 2.95 0.23 -0.22 3.99 0.11 -1.98 -1.71 132.00 135.38 1uiw h PRO 51 Ca -0.35 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.64 1uiw h PRO 51 Cb 1.17 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1uiw h PRO 51 CO 0.63 0.15 -0.31 -0.44 -0.21 0.00 0.00 178.00 177.83 1uiw h ASP 52 N 0.24 0.45 -0.41 -2.05 3.32 -1.99 -1.16 116.42 114.83 1uiw h ASP 52 Ca 0.33 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 1uiw h ASP 52 Cb 0.51 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1uiw h ASP 52 CO -0.43 0.74 0.13 0.00 -1.72 0.00 0.00 179.24 177.96 1uiw h ALA 53 N 1.29 1.35 0.02 3.45 0.00 -1.76 -2.18 119.26 121.44 1uiw h ALA 53 Ca 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1uiw h ALA 53 Cb 0.73 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1uiw h ALA 53 CO 0.06 0.47 -0.01 0.28 0.00 0.00 0.00 179.25 180.05 1uiw h VAL 54 N 0.69 1.46 -0.49 0.00 2.07 -1.05 -3.03 116.25 115.90 1uiw h VAL 54 Ca 0.16 -1.72 -0.06 0.00 0.82 0.00 0.00 66.70 65.90 1uiw h VAL 54 Cb 0.23 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.56 1uiw h VAL 54 CO -0.01 0.43 0.05 0.24 0.02 0.00 0.00 177.57 178.30 1uiw h MET 55 N -0.80 0.79 -0.14 1.57 2.07 -1.20 -2.62 114.93 114.59 1uiw h MET 55 Ca -0.00 -0.19 0.00 0.00 -2.07 0.00 0.00 59.70 57.44 1uiw h MET 55 Cb 0.72 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.35 1uiw h MET 55 CO 0.01 0.76 0.00 0.41 1.07 0.00 0.00 176.91 179.16 1uiw n GLY 56 N -0.74 0.67 3.65 8.32 0.00 -0.82 -4.82 105.19 111.45 1uiw n GLY 56 Ca 0.03 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.76 6.31 0.45 1.61 3.84 -0.99 -4.89 114.94 119.51 1uiw s ASN 57 Ca 0.34 2.51 0.12 0.00 0.21 0.00 0.00 52.86 56.04 1uiw s ASN 57 Cb 0.20 -2.53 1.02 0.00 -0.55 0.00 0.00 41.25 39.40 1uiw s ASN 57 CO 0.30 -1.19 2.05 1.55 -2.79 0.00 0.00 177.10 177.03 1uiw h PRO 58 N 11.21 0.36 0.01 0.43 0.13 -1.91 -1.64 132.00 140.58 1uiw h PRO 58 Ca -0.47 -0.02 -0.21 0.00 -0.87 0.00 0.00 66.00 64.42 1uiw h PRO 58 Cb 1.23 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1uiw h PRO 58 CO 0.95 0.24 -0.91 0.87 -0.23 0.00 0.00 178.00 178.91 1uiw h LYS 59 N 0.37 0.27 -0.13 0.86 1.57 -1.90 -1.80 116.57 115.81 1uiw h LYS 59 Ca 0.16 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1uiw h LYS 59 Cb 0.18 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1uiw h LYS 59 CO -0.04 1.02 0.06 0.28 -0.57 0.00 0.00 179.45 180.20 1uiw h VAL 60 N 0.15 1.11 -0.49 0.50 2.07 -1.80 -1.68 116.25 116.11 1uiw h VAL 60 Ca -0.06 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.15 1uiw h VAL 60 Cb 1.55 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1uiw h VAL 60 CO 0.15 0.10 0.31 0.11 0.02 0.00 0.00 177.57 178.26 1uiw h LYS 61 N 0.09 0.61 -0.59 1.57 1.57 -1.27 -1.29 116.57 117.26 1uiw h LYS 61 Ca 0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1uiw h LYS 61 Cb 0.11 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1uiw h LYS 61 CO -0.01 0.40 0.32 0.00 -0.57 0.00 0.00 179.45 179.59 1uiw h ALA 62 N 1.20 0.75 -0.46 3.86 0.00 -1.31 -2.81 119.26 120.49 1uiw h ALA 62 Ca 0.19 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1uiw h ALA 62 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1uiw h ALA 62 CO -0.06 0.28 -0.08 1.25 0.00 0.00 0.00 179.25 180.64 1uiw h HIS 63 N 0.79 0.90 -0.50 0.00 -0.00 -1.02 -2.89 115.15 112.44 1uiw h HIS 63 Ca 0.21 -0.16 0.04 0.00 -0.00 0.00 0.00 60.37 60.45 1uiw h HIS 63 Cb 0.05 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.20 1uiw h HIS 63 CO -0.01 0.87 0.33 0.78 -0.00 0.00 0.00 177.93 179.89 1uiw h GLY 64 N 0.98 0.62 0.98 5.26 0.00 -1.05 -2.14 103.07 107.71 1uiw h GLY 64 Ca 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1uiw h GLY 64 CO 0.03 0.18 0.26 0.50 0.00 0.00 0.00 176.54 177.52 1uiw h LYS 65 N 0.54 0.70 -0.05 4.80 1.57 -1.28 -1.98 116.57 120.87 1uiw h LYS 65 Ca 0.20 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.72 1uiw h LYS 65 Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1uiw h LYS 65 CO -0.05 0.55 -0.75 1.57 -0.57 0.00 0.00 179.45 180.21 1uiw h LYS 66 N 0.66 0.29 0.02 3.15 2.10 -1.46 -1.10 116.57 120.24 1uiw h LYS 66 Ca 0.17 -0.25 -0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1uiw h LYS 66 Cb 0.07 0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 1uiw h LYS 66 CO -0.03 0.91 -0.01 0.28 -2.00 0.00 0.00 179.45 178.60 1uiw h VAL 67 N 0.19 1.18 0.00 0.07 2.07 -1.39 -2.38 116.25 115.99 1uiw h VAL 67 Ca -0.03 -0.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.77 1uiw h VAL 67 Cb 1.32 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1uiw h VAL 67 CO 0.12 0.16 -0.40 0.25 0.02 0.00 0.00 177.57 177.72 1uiw h LEU 68 N -0.31 0.00 -0.64 2.57 5.85 -1.42 -2.33 115.31 119.03 1uiw h LEU 68 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1uiw h LEU 68 Cb 0.29 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1uiw h LEU 68 CO 0.01 0.40 0.41 1.23 -0.34 0.00 0.00 178.44 180.15 1uiw h GLY 69 N 2.53 0.91 1.12 3.75 0.00 -1.14 0.05 103.07 110.29 1uiw h GLY 69 Ca -0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 1uiw h GLY 69 CO 0.05 0.34 -0.06 0.00 0.00 0.00 0.00 176.54 176.88 1uiw h ALA 70 N 1.22 0.81 -0.31 3.60 0.00 -1.22 -2.19 119.26 121.18 1uiw h ALA 70 Ca 0.23 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1uiw h ALA 70 Cb -0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 1uiw h ALA 70 CO -0.05 0.67 0.06 0.35 0.00 0.00 0.00 179.25 180.28 1uiw h PHE 71 N 0.94 0.10 -0.46 0.00 3.04 -1.24 -2.59 116.94 116.73 1uiw h PHE 71 Ca 0.16 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.13 1uiw h PHE 71 Cb 0.62 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.11 1uiw h PHE 71 CO 0.04 0.02 0.30 1.03 -2.02 0.00 0.00 178.31 177.68 1uiw h SER 72 N 0.17 0.51 -0.84 0.41 0.87 -0.87 -2.10 113.55 111.71 1uiw h SER 72 Ca 0.14 -0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.76 1uiw h SER 72 Cb 0.15 -0.12 -0.05 0.00 -0.44 0.00 0.00 62.40 61.94 1uiw h SER 72 CO -0.19 0.37 0.54 0.44 -0.53 0.00 0.00 176.83 177.46 1uiw h ASP 73 N 0.61 0.79 0.77 6.23 3.32 -1.29 -2.34 116.42 124.52 1uiw h ASP 73 Ca 0.17 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1uiw h ASP 73 Cb -0.05 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.34 1uiw h ASP 73 CO -0.05 0.50 0.00 1.23 -1.72 0.00 0.00 179.24 179.21 1uiw h GLY 74 N 0.90 0.00 2.00 2.75 0.00 -0.97 -2.97 103.07 104.77 1uiw h GLY 74 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1uiw h GLY 74 CO -0.14 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.44 1uiw n LEU 75 N -2.90 0.64 -0.23 3.11 4.77 -0.88 -1.59 117.00 119.91 1uiw n LEU 75 Ca 0.00 0.69 0.15 0.00 -0.03 0.00 0.00 56.01 56.82 1uiw n LEU 75 Cb 0.24 -0.65 0.73 0.00 -2.33 0.00 0.00 43.42 41.42 1uiw n LEU 75 CO 0.24 -0.67 0.99 0.00 -1.33 0.00 0.00 177.39 176.61 1uiw n ALA 76 N -1.77 2.63 -2.61 -1.18 0.00 -1.12 -4.25 120.51 112.21 1uiw n ALA 76 Ca 0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 53.44 53.05 1uiw n ALA 76 Cb 0.17 -1.34 0.04 0.00 0.00 0.00 0.00 19.45 18.32 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 -0.43 1.70 0.31 0.00 8.25 -0.62 -4.92 115.22 119.51 1uiw n HIS 77 Ca 0.21 -2.38 0.18 0.00 -0.26 0.00 0.00 57.72 55.48 1uiw n HIS 77 Cb 0.23 -0.27 0.99 0.00 1.12 0.00 0.00 29.99 32.06 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 2.61 0.00 -0.42 2.41 -0.00 -1.74 -0.78 115.31 117.39 1uiw h LEU 78 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 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 0.42 0.02 -0.19 0.47 -0.00 0.00 0.00 178.44 179.16 1uiw n ASP 79 N -3.37 0.84 -2.96 -0.43 8.00 -1.26 -0.68 116.55 116.69 1uiw n ASP 79 Ca -0.02 -0.80 -0.14 0.00 0.71 0.00 0.00 54.79 54.54 1uiw n ASP 79 Cb 0.13 0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.73 1.00 -0.07 -2.24 5.15 -0.30 -4.97 115.26 113.10 1uiw n ASN 80 Ca 0.13 -2.89 -0.08 0.00 -0.60 0.00 0.00 54.58 51.14 1uiw n ASN 80 Cb 0.32 -0.52 0.09 0.00 -0.53 0.00 0.00 39.78 39.14 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 2.99 0.75 -0.47 1.20 3.38 -1.74 -2.09 115.31 119.33 1uiw h LEU 81 Ca 0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1uiw h LEU 81 Cb 1.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1uiw h LEU 81 CO 0.49 0.99 0.30 0.11 0.09 0.00 0.00 178.44 180.42 1uiw h LYS 82 N 0.63 0.63 -0.39 1.13 1.57 -1.89 -1.97 116.57 116.28 1uiw h LYS 82 Ca 0.08 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1uiw h LYS 82 Cb 0.78 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1uiw h LYS 82 CO 0.06 0.43 -0.08 0.78 -0.57 0.00 0.00 179.45 180.08 1uiw h GLY 83 N 0.63 0.80 0.46 3.86 0.00 -1.94 -2.56 103.07 104.32 1uiw h GLY 83 Ca 0.17 -0.65 0.09 0.00 0.00 0.00 0.00 47.33 46.95 1uiw h GLY 83 CO -0.04 0.59 0.33 -0.84 0.00 0.00 0.00 176.54 176.59 1uiw h THR 84 N 0.55 0.84 -0.75 4.70 2.02 -1.15 -2.88 112.91 116.24 1uiw h THR 84 Ca 0.10 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1uiw h THR 84 Cb 0.59 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1uiw h THR 84 CO 0.04 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.52 1uiw n PHE 85 N -4.88 1.01 0.04 3.16 3.72 -0.76 -4.66 117.46 115.09 1uiw n PHE 85 Ca 0.10 -0.50 -0.11 0.00 -0.05 0.00 0.00 57.45 56.89 1uiw n PHE 85 Cb 0.27 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.75 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 4.36 -0.09 -0.45 4.37 0.00 -1.22 -0.15 119.26 126.09 1uiw h ALA 86 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1uiw h ALA 86 Cb 1.01 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1uiw h ALA 86 CO 0.01 -0.58 -0.05 1.79 0.00 0.00 0.00 179.25 180.41 1uiw h THR 87 N -0.16 1.25 -0.22 0.00 1.35 -1.83 -1.98 112.91 111.32 1uiw h THR 87 Ca 0.04 -1.08 -0.09 0.00 -0.55 0.00 0.00 66.41 64.73 1uiw h THR 87 Cb 0.21 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 67.58 1uiw h THR 87 CO -0.11 0.37 -0.27 -0.07 -0.25 0.00 0.00 175.52 175.19 1uiw h LEU 88 N 0.71 0.42 0.05 3.87 3.38 -1.84 -1.85 115.31 120.06 1uiw h LEU 88 Ca 0.13 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1uiw h LEU 88 Cb 0.52 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1uiw h LEU 88 CO 0.03 0.69 -0.02 -1.28 0.09 0.00 0.00 178.44 177.95 1uiw h SER 89 N 0.37 -0.06 -0.63 -0.43 0.87 -0.65 -1.19 113.55 111.84 1uiw h SER 89 Ca 0.05 -0.10 0.07 0.00 -1.23 0.00 0.00 61.79 60.59 1uiw h SER 89 Cb 0.68 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.59 1uiw h SER 89 CO 0.05 0.06 0.30 -0.33 -0.53 0.00 0.00 176.83 176.39 1uiw h GLU 90 N -0.18 0.53 -0.20 2.24 5.08 -1.33 -1.77 114.58 118.96 1uiw h GLU 90 Ca -0.01 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1uiw h GLU 90 Cb 0.15 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1uiw h GLU 90 CO 0.01 0.35 0.11 1.25 -1.00 0.00 0.00 179.01 179.73 1uiw h LEU 91 N 0.55 0.24 -1.46 1.33 5.85 -1.18 -0.48 115.31 120.17 1uiw h LEU 91 Ca 0.30 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.88 1uiw h LEU 91 Cb 0.27 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1uiw h LEU 91 CO -0.23 0.25 -0.25 0.45 -0.34 0.00 0.00 178.44 178.32 1uiw h HIS 92 N 0.21 0.03 0.10 1.25 3.86 -0.98 -1.35 115.15 118.27 1uiw h HIS 92 Ca 0.07 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1uiw h HIS 92 Cb 0.06 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1uiw h HIS 92 CO -0.04 0.28 -0.05 0.00 0.86 0.00 0.00 177.93 178.99 1uiw h ASP 94 N -1.03 0.21 0.00 0.00 3.32 -1.11 -3.24 116.42 114.57 1uiw h ASP 94 Ca -0.01 -0.19 -0.24 0.00 0.02 0.00 0.00 57.03 56.61 1uiw h ASP 94 Cb 0.12 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 1uiw h ASP 94 CO 0.02 1.04 -1.88 0.29 -1.72 0.00 0.00 179.24 176.99 1uiw n LYS 95 N -3.58 0.37 0.07 3.56 4.76 -0.57 -4.77 118.16 118.01 1uiw n LYS 95 Ca -0.03 0.10 0.11 0.00 -2.87 0.00 0.00 58.31 55.62 1uiw n LYS 95 Cb 0.86 -1.25 -0.04 0.00 -1.84 0.00 0.00 35.03 32.75 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 -3.13 0.59 -3.71 -0.35 4.77 -0.83 -5.01 117.00 109.34 1uiw n LEU 96 Ca -0.28 0.21 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 1uiw n LEU 96 Cb 0.77 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.85 1uiw n LEU 96 CO 0.12 -0.12 -0.08 1.41 -1.33 0.00 0.00 177.39 177.40 1uiw n HIS 97 N -2.50 -1.90 -3.48 -1.77 8.25 -0.44 -4.98 115.22 108.40 1uiw n HIS 97 Ca -0.01 0.83 -0.41 0.00 -0.26 0.00 0.00 57.72 57.87 1uiw n HIS 97 Cb 0.54 -4.33 -0.10 0.00 1.12 0.00 0.00 29.99 27.22 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 -3.68 5.24 -0.02 1.59 1.01 -0.71 -5.05 120.40 118.79 1uiw s VAL 98 Ca 0.02 -0.23 -0.36 0.00 0.00 0.00 0.00 61.98 61.41 1uiw s VAL 98 Cb -0.00 -3.79 -0.14 0.00 0.00 0.00 0.00 36.38 32.44 1uiw s VAL 98 CO 0.82 -0.10 1.65 -0.67 0.00 0.00 0.00 175.10 176.80 1uiw n ASP 99 N 5.21 2.76 0.15 3.32 -0.08 -1.26 -4.76 116.55 121.88 1uiw n ASP 99 Ca -0.11 1.06 0.11 0.00 -1.51 0.00 0.00 54.79 54.33 1uiw n ASP 99 Cb 0.49 -1.30 0.54 0.00 2.34 0.00 0.00 41.12 43.19 1uiw n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1uiw n PRO 100 N 4.59 0.14 0.10 -0.67 -0.02 -1.26 -1.84 135.00 136.04 1uiw n PRO 100 Ca 0.21 0.60 0.16 0.00 -2.02 0.00 0.00 63.50 62.44 1uiw n PRO 100 Cb 0.24 -1.92 0.67 0.00 -0.02 0.00 0.00 33.50 32.47 1uiw n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1uiw h GLU 101 N 0.00 0.00 -0.63 -0.52 4.57 -1.98 -1.03 114.58 114.98 1uiw h GLU 101 Ca 0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1uiw h GLU 101 Cb 0.06 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 1uiw h GLU 101 CO 0.00 0.00 0.42 -0.91 -1.18 0.00 0.00 179.01 177.34 1uiw h ASN 102 N 0.00 0.51 -0.05 1.04 4.21 -1.74 -2.02 115.58 117.53 1uiw h ASN 102 Ca 0.16 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.56 1uiw h ASN 102 Cb 0.63 -0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.71 1uiw h ASN 102 CO -0.00 0.32 -0.31 -0.26 -1.29 0.00 0.00 177.43 175.89 1uiw h PHE 103 N 0.58 0.59 -0.21 1.19 0.04 -1.39 -1.43 116.94 116.31 1uiw h PHE 103 Ca 0.28 -0.14 -0.08 0.00 2.80 0.00 0.00 57.97 60.83 1uiw h PHE 103 Cb 0.35 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 1uiw h PHE 103 CO -0.00 0.77 -0.18 0.00 -0.60 0.00 0.00 178.31 178.30 1uiw h ARG 104 N 0.44 0.48 -0.50 1.51 3.08 -1.44 -2.07 114.38 115.88 1uiw h ARG 104 Ca 0.05 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 59.86 1uiw h ARG 104 Cb 0.76 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.79 1uiw h ARG 104 CO 0.06 0.81 0.31 -0.07 -1.07 0.00 0.00 179.97 180.01 1uiw h LEU 105 N 0.17 0.59 -1.00 3.04 3.38 -1.31 -2.54 115.31 117.64 1uiw h LEU 105 Ca 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1uiw h LEU 105 Cb 0.71 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1uiw h LEU 105 CO 0.05 0.46 0.48 0.25 0.09 0.00 0.00 178.44 179.77 1uiw h LEU 106 N 0.67 1.05 -0.83 1.67 5.85 -1.22 -2.12 115.31 120.39 1uiw h LEU 106 Ca 0.18 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.85 1uiw h LEU 106 Cb -0.03 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 1uiw h LEU 106 CO -0.04 0.83 0.53 1.23 -0.34 0.00 0.00 178.44 180.66 1uiw h GLY 107 N 1.20 1.21 1.29 3.75 0.00 -1.07 -0.44 103.07 109.02 1uiw h GLY 107 Ca 0.30 -0.40 -0.17 0.00 0.00 0.00 0.00 47.33 47.07 1uiw h GLY 107 CO -0.05 0.33 -0.50 3.43 0.00 0.00 0.00 176.54 179.75 1uiw h ASN 108 N 1.02 0.82 -0.68 0.19 2.35 -1.15 -2.08 115.58 116.06 1uiw h ASN 108 Ca 0.34 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1uiw h ASN 108 Cb 0.03 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1uiw h ASN 108 CO -0.12 1.18 0.38 0.58 -1.65 0.00 0.00 177.43 177.79 1uiw h VAL 109 N 0.59 1.21 -0.78 2.81 2.07 -1.18 -2.36 116.25 118.61 1uiw h VAL 109 Ca 0.02 -0.52 0.02 0.00 0.82 0.00 0.00 66.70 67.05 1uiw h VAL 109 Cb 1.08 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1uiw h VAL 109 CO 0.11 0.23 0.50 0.25 0.02 0.00 0.00 177.57 178.68 1uiw h LEU 110 N 0.93 0.84 -0.62 2.57 5.85 -0.93 -0.71 115.31 123.24 1uiw h LEU 110 Ca 0.24 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1uiw h LEU 110 Cb 0.03 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 1uiw h LEU 110 CO -0.04 0.59 0.37 0.58 -0.34 0.00 0.00 178.44 179.60 1uiw h VAL 111 N 0.99 1.05 -0.93 1.05 2.07 -1.18 -1.02 116.25 118.28 1uiw h VAL 111 Ca 0.30 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.57 1uiw h VAL 111 Cb -0.03 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 29.96 1uiw h VAL 111 CO -0.10 0.13 0.56 0.00 0.02 0.00 0.00 177.57 178.18 1uiw h VAL 113 N 1.29 1.26 -0.48 0.00 2.07 -0.65 -1.27 116.25 118.47 1uiw h VAL 113 Ca 0.33 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 1uiw h VAL 113 Cb -0.05 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1uiw h VAL 113 CO -0.06 0.40 0.07 -0.07 0.02 0.00 0.00 177.57 177.92 1uiw h LEU 114 N 0.98 0.77 -0.37 2.57 3.38 -1.05 -1.39 115.31 120.20 1uiw h LEU 114 Ca 0.19 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1uiw h LEU 114 Cb 0.49 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1uiw h LEU 114 CO 0.02 0.84 0.18 0.00 0.09 0.00 0.00 178.44 179.58 1uiw h ALA 115 N 0.96 0.45 -0.67 1.53 0.00 -1.31 -0.77 119.26 119.45 1uiw h ALA 115 Ca 0.14 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1uiw h ALA 115 Cb 0.41 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1uiw h ALA 115 CO 0.01 -0.18 0.40 1.25 0.00 0.00 0.00 179.25 180.72 1uiw h HIS 116 N 0.38 0.89 -0.07 0.00 -0.00 -1.06 -1.03 115.15 114.25 1uiw h HIS 116 Ca 0.16 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.50 1uiw h HIS 116 Cb 0.06 -0.29 -0.00 0.00 -0.00 0.00 0.00 27.41 27.18 1uiw h HIS 116 CO -0.10 0.61 -0.05 1.25 -0.00 0.00 0.00 177.93 179.64 1uiw h HIS 117 N 0.91 0.17 0.00 5.26 6.17 -1.07 -3.36 115.15 123.23 1uiw h HIS 117 Ca 0.24 -0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.27 1uiw h HIS 117 Cb -0.01 -0.04 0.00 0.00 2.52 0.00 0.00 27.41 29.88 1uiw h HIS 117 CO -0.01 0.56 -1.07 1.19 0.71 0.00 0.00 177.93 179.30 1uiw n PHE 118 N -4.75 0.48 -1.50 5.26 3.72 -0.31 -5.04 117.46 115.31 1uiw n PHE 118 Ca -0.07 0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1uiw n PHE 118 Cb 0.28 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.19 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 1.30 3.21 0.31 1.37 0.00 -0.40 -2.68 105.19 108.31 1uiw n GLY 119 Ca 0.01 -0.22 0.19 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.76 116.57 117.56 1uiw h LYS 120 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 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 0.02 -0.07 1.49 -2.00 0.00 0.00 179.45 178.89 1uiw h GLU 121 N 0.00 0.00 -4.01 0.07 4.81 -1.91 -3.29 114.58 110.25 1uiw h GLU 121 Ca -0.00 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 58.51 1uiw h GLU 121 Cb 0.11 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.42 1uiw h GLU 121 CO 0.00 0.07 2.84 0.34 -0.73 0.00 0.00 179.01 181.53 1uiw n PHE 122 N -4.02 3.50 -1.23 0.92 7.35 -0.29 -4.95 117.46 118.74 1uiw n PHE 122 Ca -0.03 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.42 1uiw n PHE 122 Cb 0.16 -2.44 0.12 0.00 0.35 0.00 0.00 39.48 37.67 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 2.67 2.95 0.27 -2.13 -4.23 -1.24 -4.71 115.64 109.22 1uiw s THR 123 Ca 0.46 0.31 -0.01 0.00 -1.18 0.00 0.00 61.69 61.27 1uiw s THR 123 Cb 0.12 -2.79 0.25 0.00 1.34 0.00 0.00 72.50 71.42 1uiw s THR 123 CO -0.06 -0.40 1.79 -0.65 -0.54 0.00 0.00 174.62 174.76 1uiw h PRO 124 N -1.36 0.74 -0.24 3.99 0.11 -1.94 -0.60 132.00 132.69 1uiw h PRO 124 Ca -0.47 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 1uiw h PRO 124 Cb 1.26 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1uiw h PRO 124 CO 0.53 0.49 -0.18 -1.35 -0.21 0.00 0.00 178.00 177.27 1uiw h PRO 125 N 0.76 0.42 -0.51 1.05 0.11 -2.00 -2.03 132.00 129.81 1uiw h PRO 125 Ca 0.46 -0.13 -0.10 0.00 0.11 0.00 0.00 66.00 66.34 1uiw h PRO 125 Cb 0.56 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.62 1uiw h PRO 125 CO -0.31 0.60 -0.06 0.28 -0.21 0.00 0.00 178.00 178.29 1uiw h VAL 126 N 0.39 1.27 -0.35 3.15 2.07 -1.74 -2.71 116.25 118.32 1uiw h VAL 126 Ca 0.07 -1.18 0.03 0.00 0.82 0.00 0.00 66.70 66.44 1uiw h VAL 126 Cb 0.55 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1uiw h VAL 126 CO 0.04 0.41 0.15 -0.61 0.02 0.00 0.00 177.57 177.58 1uiw h GLN 127 N 0.80 0.30 -0.97 1.57 4.15 -0.96 -2.11 115.11 117.90 1uiw h GLN 127 Ca 0.14 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.58 1uiw h GLN 127 Cb 0.61 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.17 1uiw h GLN 127 CO 0.04 0.20 0.63 0.00 -1.93 0.00 0.00 178.83 177.77 1uiw h ALA 128 N 1.21 1.39 -0.31 3.38 0.00 -1.24 0.90 119.26 124.59 1uiw h ALA 128 Ca 0.16 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1uiw h ALA 128 Cb 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1uiw h ALA 128 CO -0.14 0.50 0.05 0.00 0.00 0.00 0.00 179.25 179.67 1uiw h ALA 129 N 1.44 0.41 0.00 0.00 0.00 -1.23 -2.56 119.26 117.33 1uiw h ALA 129 Ca 0.39 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1uiw h ALA 129 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1uiw h ALA 129 CO -0.13 0.10 -0.22 1.88 0.00 0.00 0.00 179.25 180.89 1uiw h TYR 130 N 0.34 0.00 -0.52 0.00 0.05 -0.76 -2.51 116.97 113.58 1uiw h TYR 130 Ca 0.10 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.76 1uiw h TYR 130 Cb 0.34 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 1uiw h TYR 130 CO 0.02 0.22 -0.13 1.96 -1.05 0.00 0.00 178.16 179.18 1uiw h GLN 131 N 0.00 0.99 -0.58 4.88 1.08 -0.67 -1.28 115.11 119.53 1uiw h GLN 131 Ca -0.00 -0.37 0.05 0.00 -1.45 0.00 0.00 58.65 56.87 1uiw h GLN 131 Cb 0.40 -0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.72 1uiw h GLN 131 CO 0.03 1.05 0.31 0.87 -0.95 0.00 0.00 178.83 180.15 1uiw h LYS 132 N 0.88 0.58 0.08 1.46 1.57 -1.15 -2.38 116.57 117.60 1uiw h LYS 132 Ca 0.13 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1uiw h LYS 132 Cb 0.69 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1uiw h LYS 132 CO 0.05 0.39 -0.04 0.28 -0.57 0.00 0.00 179.45 179.56 1uiw h VAL 133 N 0.60 1.02 -0.21 0.50 2.07 -1.19 -2.10 116.25 116.95 1uiw h VAL 133 Ca 0.26 -0.35 -0.11 0.00 0.82 0.00 0.00 66.70 67.32 1uiw h VAL 133 Cb 0.14 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1uiw h VAL 133 CO -0.16 0.09 -0.34 -0.37 0.02 0.00 0.00 177.57 176.81 1uiw h VAL 134 N -0.26 1.29 -0.62 2.57 -1.51 -1.24 -1.46 116.25 115.02 1uiw h VAL 134 Ca -0.01 -1.42 -0.05 0.00 -1.23 0.00 0.00 66.70 63.99 1uiw h VAL 134 Cb 0.22 1.50 -0.03 0.00 -2.13 0.00 0.00 31.29 30.86 1uiw h VAL 134 CO 0.02 0.44 0.20 0.00 -1.23 0.00 0.00 177.57 177.00 1uiw h ALA 135 N 1.27 0.81 -0.61 5.19 0.00 -1.45 -1.88 119.26 122.59 1uiw h ALA 135 Ca 0.04 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1uiw h ALA 135 Cb 0.77 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1uiw h ALA 135 CO 0.06 0.48 0.05 0.78 0.00 0.00 0.00 179.25 180.62 1uiw h GLY 136 N 0.89 1.12 0.86 0.00 0.00 -1.02 -1.21 103.07 103.71 1uiw h GLY 136 Ca 0.20 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 46.70 1uiw h GLY 136 CO -0.01 0.71 -0.08 -2.08 0.00 0.00 0.00 176.54 175.08 1uiw h VAL 137 N 0.96 1.29 -0.65 4.60 2.07 -1.22 -1.34 116.25 121.95 1uiw h VAL 137 Ca 0.18 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 1uiw h VAL 137 Cb 0.49 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1uiw h VAL 137 CO 0.02 0.35 0.38 0.00 0.02 0.00 0.00 177.57 178.34 1uiw h ALA 138 N 0.75 0.83 -0.75 1.67 0.00 -1.27 -0.49 119.26 120.01 1uiw h ALA 138 Ca 0.06 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1uiw h ALA 138 Cb 0.57 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1uiw h ALA 138 CO 0.03 0.32 0.33 -0.97 0.00 0.00 0.00 179.25 178.96 1uiw h ASN 139 N 0.89 1.00 -0.42 0.00 -1.24 -1.19 -1.89 115.58 112.72 1uiw h ASN 139 Ca 0.23 -0.15 -0.04 0.00 0.71 0.00 0.00 56.30 57.05 1uiw h ASN 139 Cb -0.00 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.77 1uiw h ASN 139 CO -0.04 0.88 0.09 0.00 -1.29 0.00 0.00 177.43 177.06 1uiw h ALA 140 N 1.16 0.55 0.00 1.57 0.00 -0.94 -2.60 119.26 119.01 1uiw h ALA 140 Ca 0.25 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1uiw h ALA 140 Cb 0.16 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1uiw h ALA 140 CO -0.03 0.25 -0.17 -0.07 0.00 0.00 0.00 179.25 179.23 1uiw h LEU 141 N 0.54 0.00 0.00 0.00 3.38 -0.95 -2.49 115.31 115.79 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 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1uiw h LEU 141 CO 0.00 0.17 -0.13 0.00 0.09 0.00 0.00 178.44 178.58 1uiw n ALA 142 N -2.37 2.44 0.13 1.53 0.00 -0.72 -4.47 120.51 117.05 1uiw n ALA 142 Ca -0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 53.44 53.34 1uiw n ALA 142 Cb 0.27 -1.41 0.26 0.00 0.00 0.00 0.00 19.45 18.57 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 0.14 -0.37 0.00 6.17 -1.06 -2.87 115.15 117.16 1uiw h HIS 143 Ca 0.00 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.04 1uiw h HIS 143 Cb 0.71 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.61 1uiw h HIS 143 CO 0.00 0.53 0.00 1.63 0.71 0.00 0.00 177.93 180.80 1uiw n LYS 144 N -4.02 2.09 -1.98 5.26 4.76 -1.26 -4.98 118.16 118.03 1uiw n LYS 144 Ca -0.02 -1.66 -0.38 0.00 -2.87 0.00 0.00 58.31 53.38 1uiw n LYS 144 Cb 0.47 -1.41 0.01 0.00 -1.84 0.00 0.00 35.03 32.27 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 -1.51 2.59 0.00 2.13 1.51 -1.09 -4.76 117.35 116.21 1uiw s TYR 145 Ca 0.34 1.42 0.00 0.00 -1.01 0.00 0.00 57.07 57.82 1uiw s TYR 145 Cb 0.18 -3.66 0.00 0.00 -0.11 0.00 0.00 41.96 38.38 1uiw s TYR 145 CO 0.25 -2.31 0.00 -2.39 -1.11 0.00 0.00 175.55 169.99