#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uiw s LEU 2 N 0.00 4.23 0.71 7.52 1.43 -1.26 -5.06 118.68 126.25 1uiw s LEU 2 Ca 0.00 1.42 -0.11 0.00 -1.03 0.00 0.00 54.13 54.41 1uiw s LEU 2 Cb 0.00 -3.45 0.03 0.00 0.03 0.00 0.00 46.19 42.80 1uiw s LEU 2 CO 0.00 -0.42 1.09 -0.94 0.23 0.00 0.00 176.35 176.31 1uiw s SER 3 N 1.10 5.28 0.24 2.29 1.04 -1.26 -4.88 113.70 117.50 1uiw s SER 3 Ca 0.45 1.00 -0.06 0.00 0.48 0.00 0.00 55.95 57.82 1uiw s SER 3 Cb -0.18 -1.76 0.42 0.00 0.10 0.00 0.00 66.02 64.60 1uiw s SER 3 CO 0.16 -1.42 1.71 -0.65 0.98 0.00 0.00 173.24 174.02 1uiw h PRO 4 N -0.67 0.32 -0.83 4.02 0.11 -2.00 -1.70 132.00 131.25 1uiw h PRO 4 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1uiw h PRO 4 Cb 1.27 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1uiw h PRO 4 CO 0.64 0.21 0.43 0.00 -0.21 0.00 0.00 178.00 179.07 1uiw h ALA 5 N 1.56 1.19 -0.49 -0.75 0.00 -1.99 -2.11 119.26 116.67 1uiw h ALA 5 Ca 0.39 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1uiw h ALA 5 Cb 0.62 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1uiw h ALA 5 CO -0.45 0.63 0.28 -0.44 0.00 0.00 0.00 179.25 179.28 1uiw h ASP 6 N 1.17 0.45 -0.57 0.00 3.32 -1.75 -0.92 116.42 118.12 1uiw h ASP 6 Ca 0.29 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 1uiw h ASP 6 Cb 0.06 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1uiw h ASP 6 CO -0.04 0.32 0.09 0.11 -1.72 0.00 0.00 179.24 177.99 1uiw h LYS 7 N 0.56 0.94 -0.24 3.56 1.57 -1.09 -1.41 116.57 120.46 1uiw h LYS 7 Ca 0.20 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1uiw h LYS 7 Cb 0.04 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1uiw h LYS 7 CO -0.10 0.90 0.09 1.15 -0.57 0.00 0.00 179.45 180.92 1uiw h THR 8 N 0.84 0.95 -0.43 -0.16 2.02 -1.23 -1.81 112.91 113.09 1uiw h THR 8 Ca 0.17 -0.07 -0.00 0.00 0.77 0.00 0.00 66.41 67.28 1uiw h THR 8 Cb 0.42 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1uiw h THR 8 CO 0.01 0.04 0.26 0.78 0.37 0.00 0.00 175.52 176.98 1uiw h ASN 9 N 0.21 0.52 -0.40 4.18 2.35 -0.98 -1.75 115.58 119.71 1uiw h ASN 9 Ca 0.10 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1uiw h ASN 9 Cb 0.06 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1uiw h ASN 9 CO -0.10 0.42 0.15 0.58 -1.65 0.00 0.00 177.43 176.83 1uiw h VAL 10 N 0.57 1.20 -0.75 2.81 2.07 -1.18 -1.52 116.25 119.45 1uiw h VAL 10 Ca 0.15 -0.63 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1uiw h VAL 10 Cb -0.00 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1uiw h VAL 10 CO -0.03 0.23 0.35 0.11 0.02 0.00 0.00 177.57 178.25 1uiw h LYS 11 N 0.50 1.09 -0.32 1.57 1.57 -1.27 -0.67 116.57 119.04 1uiw h LYS 11 Ca 0.13 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1uiw h LYS 11 Cb 0.21 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1uiw h LYS 11 CO -0.01 0.85 0.07 0.00 -0.57 0.00 0.00 179.45 179.79 1uiw h ALA 12 N 1.18 0.42 -0.07 3.86 0.00 -1.23 -1.04 119.26 122.37 1uiw h ALA 12 Ca 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1uiw h ALA 12 Cb 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uiw h ALA 12 CO -0.03 0.09 -0.01 0.00 0.00 0.00 0.00 179.25 179.30 1uiw h ALA 13 N 0.90 0.10 0.00 0.00 0.00 -1.16 -2.49 119.26 116.61 1uiw h ALA 13 Ca 0.10 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1uiw h ALA 13 Cb 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1uiw h ALA 13 CO 0.00 -0.19 -0.27 2.35 0.00 0.00 0.00 179.25 181.14 1uiw h TRP 14 N -0.19 0.00 -0.80 0.00 2.91 -1.19 -2.47 115.95 114.22 1uiw h TRP 14 Ca 0.02 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.03 1uiw h TRP 14 Cb 0.40 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.01 1uiw h TRP 14 CO 0.05 0.27 0.47 0.78 -1.03 0.00 0.00 178.44 178.98 1uiw h GLY 15 N 0.84 1.16 1.88 2.65 0.00 -1.10 -2.75 103.07 105.74 1uiw h GLY 15 Ca -0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 1uiw h GLY 15 CO 0.03 0.48 -0.38 0.50 0.00 0.00 0.00 176.54 177.17 1uiw h LYS 16 N 1.10 0.14 -0.68 4.80 1.79 -1.00 -2.72 116.57 120.00 1uiw h LYS 16 Ca 0.29 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1uiw h LYS 16 Cb -0.03 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 1uiw h LYS 16 CO -0.05 0.51 0.44 0.28 -1.08 0.00 0.00 179.45 179.55 1uiw h VAL 17 N 0.12 1.18 0.00 0.50 2.07 -1.28 -3.46 116.25 115.38 1uiw h VAL 17 Ca 0.01 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1uiw h VAL 17 Cb 0.73 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1uiw h VAL 17 CO 0.06 0.18 0.00 0.61 0.02 0.00 0.00 177.57 178.43 1uiw n GLY 18 N -1.25 2.98 0.00 2.17 0.00 -1.03 -1.51 105.19 106.54 1uiw n GLY 18 Ca 0.06 0.11 0.09 0.00 0.00 0.00 0.00 46.02 46.28 1uiw n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uiw n ALA 19 N 9.95 2.04 1.28 4.61 0.00 -1.26 -2.50 120.51 134.64 1uiw n ALA 19 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1uiw n ALA 19 Cb 0.00 -1.30 0.41 0.00 0.00 0.00 0.00 19.45 18.56 1uiw n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1uiw n HIS 20 N -1.20 0.08 -0.15 0.00 8.25 -0.57 -4.54 115.22 117.09 1uiw n HIS 20 Ca 0.10 -0.04 -0.03 0.00 -0.26 0.00 0.00 57.72 57.49 1uiw n HIS 20 Cb 0.12 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.28 1uiw n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uiw h ALA 21 N 4.35 0.44 -0.57 -1.41 0.00 -1.61 -1.76 119.26 118.70 1uiw h ALA 21 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1uiw h ALA 21 Cb 0.60 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1uiw h ALA 21 CO 0.00 -0.39 0.34 0.78 0.00 0.00 0.00 179.25 179.97 1uiw h GLY 22 N 0.10 0.81 1.02 0.00 0.00 -1.85 -1.31 103.07 101.83 1uiw h GLY 22 Ca 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1uiw h GLY 22 CO -0.41 0.20 0.37 0.83 0.00 0.00 0.00 176.54 177.54 1uiw h GLU 23 N 0.66 1.07 -0.25 4.80 5.08 -1.74 -2.67 114.58 121.53 1uiw h GLU 23 Ca 0.23 -0.15 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 1uiw h GLU 23 Cb 0.04 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1uiw h GLU 23 CO -0.11 0.82 -0.30 1.88 -1.00 0.00 0.00 179.01 180.31 1uiw h TYR 24 N 1.05 0.58 -0.50 4.33 0.05 -1.15 -2.29 116.97 119.03 1uiw h TYR 24 Ca 0.26 -0.14 0.02 0.00 0.05 0.00 0.00 58.73 58.92 1uiw h TYR 24 Cb 0.10 -0.14 -0.03 0.00 1.01 0.00 0.00 36.73 37.67 1uiw h TYR 24 CO 0.01 0.75 0.31 0.78 -1.05 0.00 0.00 178.16 178.96 1uiw h GLY 25 N 1.04 0.71 1.22 3.88 0.00 -0.95 -1.16 103.07 107.81 1uiw h GLY 25 Ca 0.06 -0.24 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 1uiw h GLY 25 CO 0.06 0.22 -0.06 0.00 0.00 0.00 0.00 176.54 176.76 1uiw h ALA 26 N 1.21 0.91 -0.49 3.60 0.00 -1.35 -2.34 119.26 120.80 1uiw h ALA 26 Ca 0.20 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1uiw h ALA 26 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1uiw h ALA 26 CO -0.07 0.64 0.13 1.49 0.00 0.00 0.00 179.25 181.44 1uiw h GLU 27 N 0.84 0.78 -0.70 0.00 4.81 -1.23 -1.59 114.58 117.49 1uiw h GLU 27 Ca 0.15 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1uiw h GLU 27 Cb 0.58 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1uiw h GLU 27 CO 0.04 0.75 0.45 0.00 -0.73 0.00 0.00 179.01 179.52 1uiw h ALA 28 N 0.99 0.89 -0.27 2.92 0.00 -1.13 -0.89 119.26 121.77 1uiw h ALA 28 Ca 0.16 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1uiw h ALA 28 Cb 0.31 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1uiw h ALA 28 CO -0.00 0.33 0.10 -0.07 0.00 0.00 0.00 179.25 179.61 1uiw h LEU 29 N 0.96 0.12 -0.80 0.00 3.38 -1.32 -1.29 115.31 116.35 1uiw h LEU 29 Ca 0.26 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.25 1uiw h LEU 29 Cb -0.09 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1uiw h LEU 29 CO -0.05 0.10 0.48 -0.08 0.09 0.00 0.00 178.44 178.98 1uiw h GLU 30 N 0.23 1.08 -0.88 1.13 4.81 -0.97 -0.67 114.58 119.30 1uiw h GLU 30 Ca 0.12 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1uiw h GLU 30 Cb 0.08 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1uiw h GLU 30 CO -0.12 0.76 0.50 0.00 -0.73 0.00 0.00 179.01 179.42 1uiw h ARG 31 N 1.09 1.22 -0.29 1.92 3.08 -1.05 -1.93 114.38 118.42 1uiw h ARG 31 Ca 0.29 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 1uiw h ARG 31 Cb -0.05 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 1uiw h ARG 31 CO -0.05 0.88 -0.04 1.98 -1.07 0.00 0.00 179.97 181.67 1uiw h MET 32 N 1.23 0.54 -0.39 0.04 4.05 -0.54 -1.67 114.93 118.18 1uiw h MET 32 Ca 0.31 -0.19 -0.05 0.00 -0.28 0.00 0.00 59.70 59.49 1uiw h MET 32 Cb 0.00 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 1uiw h MET 32 CO -0.05 0.72 0.03 0.74 0.23 0.00 0.00 176.91 178.57 1uiw h PHE 33 N 0.31 0.62 0.18 1.39 0.04 -0.91 -0.36 116.94 118.21 1uiw h PHE 33 Ca 0.08 -0.06 -0.30 0.00 2.80 0.00 0.00 57.97 60.49 1uiw h PHE 33 Cb 0.50 -0.18 0.03 0.00 2.20 0.00 0.00 35.95 38.50 1uiw h PHE 33 CO 0.04 0.58 -1.28 -0.07 -0.60 0.00 0.00 178.31 176.99 1uiw h LEU 34 N 0.58 0.81 -0.08 1.54 3.38 -1.36 -3.30 115.31 116.88 1uiw h LEU 34 Ca 0.12 -0.88 -0.24 0.00 0.09 0.00 0.00 57.88 56.97 1uiw h LEU 34 Cb 0.32 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1uiw h LEU 34 CO 0.01 1.62 -1.04 0.28 0.09 0.00 0.00 178.44 179.39 1uiw h SER 35 N 0.12 0.49 -2.34 -0.43 0.02 -1.25 -3.40 113.55 106.75 1uiw h SER 35 Ca -0.21 -0.44 -0.59 0.00 -0.84 0.00 0.00 61.79 59.71 1uiw h SER 35 Cb 1.98 -0.15 -0.40 0.00 0.14 0.00 0.00 62.40 63.96 1uiw h SER 35 CO 0.24 1.27 -0.81 0.49 -1.14 0.00 0.00 176.83 176.87 1uiw n PHE 36 N -3.68 1.52 0.31 3.45 3.72 -0.15 -5.00 117.46 117.63 1uiw n PHE 36 Ca -0.07 -3.85 0.19 0.00 -0.05 0.00 0.00 57.45 53.67 1uiw n PHE 36 Cb 0.90 -0.35 1.00 0.00 -0.94 0.00 0.00 39.48 40.09 1uiw n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1uiw h PRO 37 N 4.64 0.00 0.00 -1.08 0.11 -1.76 -1.64 132.00 132.27 1uiw h PRO 37 Ca 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1uiw h PRO 37 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 1uiw h PRO 37 CO 0.61 0.00 -0.05 1.79 -0.21 0.00 0.00 178.00 180.14 1uiw h THR 38 N 0.00 0.67 0.00 -1.15 1.35 -1.92 -2.12 112.91 109.74 1uiw h THR 38 Ca 0.02 -0.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.67 1uiw h THR 38 Cb 0.31 1.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.85 1uiw h THR 38 CO -0.00 0.05 -0.03 0.71 -0.25 0.00 0.00 175.52 176.00 1uiw h THR 39 N 0.00 0.25 0.00 6.82 1.35 -1.63 -2.61 112.91 117.09 1uiw h THR 39 Ca -0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1uiw h THR 39 Cb 0.12 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1uiw h THR 39 CO 0.01 0.03 0.00 0.11 -0.25 0.00 0.00 175.52 175.42 1uiw h LYS 40 N 0.00 0.00 -0.00 4.72 1.57 -1.59 -2.95 116.57 118.32 1uiw h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1uiw h LYS 40 Cb 0.16 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 1uiw h LYS 40 CO 0.00 0.00 0.02 1.79 -0.57 0.00 0.00 179.45 180.69 1uiw h THR 41 N 0.00 0.04 -0.00 -0.16 1.35 -1.66 -1.85 112.91 110.64 1uiw h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1uiw h THR 41 Cb 0.31 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1uiw h THR 41 CO 0.00 0.00 -0.34 -1.22 -0.25 0.00 0.00 175.52 173.71 1uiw n TYR 42 N -3.13 0.00 -2.60 4.73 4.01 -1.12 -4.34 117.16 114.71 1uiw n TYR 42 Ca -0.03 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 1uiw n TYR 42 Cb 0.09 -0.23 0.01 0.00 -0.31 0.00 0.00 39.34 38.90 1uiw n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1uiw n PHE 43 N -1.18 2.57 0.34 -0.72 3.01 -0.69 -4.90 117.46 115.88 1uiw n PHE 43 Ca 0.09 -3.09 0.14 0.00 1.01 0.00 0.00 57.45 55.60 1uiw n PHE 43 Cb 0.33 -0.22 0.60 0.00 -0.01 0.00 0.00 39.48 40.18 1uiw n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1uiw h PRO 44 N 2.76 0.00 -0.01 -1.08 0.13 -1.76 -2.38 132.00 129.66 1uiw h PRO 44 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1uiw h PRO 44 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1uiw h PRO 44 CO 0.72 0.00 -0.28 -2.39 -0.23 0.00 0.00 178.00 175.82 1uiw n HIS 45 N -2.58 0.00 -3.61 1.56 1.44 -1.26 -4.95 115.22 105.82 1uiw n HIS 45 Ca 0.01 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.36 1uiw n HIS 45 Cb 0.24 -0.07 -0.06 0.00 0.12 0.00 0.00 29.99 30.22 1uiw n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1uiw s PHE 46 N -2.42 3.65 -0.18 -1.40 0.40 -0.90 -5.07 117.98 112.06 1uiw s PHE 46 Ca 0.24 0.81 -0.29 0.00 -0.60 0.00 0.00 56.93 57.09 1uiw s PHE 46 Cb 0.19 -2.16 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 1uiw s PHE 46 CO 0.50 0.62 1.25 0.34 0.70 0.00 0.00 175.22 178.63 1uiw s ASP 47 N -1.36 6.93 0.00 1.36 -1.08 -1.26 -4.94 116.67 116.31 1uiw s ASP 47 Ca 0.26 1.62 0.17 0.00 -0.52 0.00 0.00 52.55 54.08 1uiw s ASP 47 Cb -0.15 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.26 1uiw s ASP 47 CO 0.14 -0.79 1.40 0.18 0.52 0.00 0.00 175.17 176.62 1uiw n LEU 48 N 6.70 3.47 -4.75 -1.34 4.77 -1.26 -4.49 117.00 120.09 1uiw n LEU 48 Ca 0.14 -1.97 -0.33 0.00 -0.03 0.00 0.00 56.01 53.81 1uiw n LEU 48 Cb 0.45 -0.36 0.07 0.00 -2.33 0.00 0.00 43.42 41.24 1uiw n LEU 48 CO 0.56 0.86 0.75 -0.94 -1.33 0.00 0.00 177.39 177.30 1uiw s SER 49 N -1.01 4.74 0.13 -1.43 1.04 -1.26 -4.93 113.70 110.98 1uiw s SER 49 Ca 0.37 2.11 -0.35 0.00 0.48 0.00 0.00 55.95 58.56 1uiw s SER 49 Cb 0.19 -2.56 -0.14 0.00 0.10 0.00 0.00 66.02 63.61 1uiw s SER 49 CO 0.25 -1.89 1.53 1.57 0.98 0.00 0.00 173.24 175.69 1uiw n HIS 50 N -2.60 2.10 -0.82 5.02 -0.00 -1.26 -2.06 115.22 115.60 1uiw n HIS 50 Ca 0.11 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.64 1uiw n HIS 50 Cb 0.51 -2.50 0.00 0.00 -0.12 0.00 0.00 29.99 27.89 1uiw n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1uiw n GLY 51 N 3.24 0.74 3.76 1.57 0.00 -1.26 -5.04 105.19 108.20 1uiw n GLY 51 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1uiw n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1uiw s SER 52 N -2.47 5.55 0.27 1.61 1.04 -0.87 -4.91 113.70 113.93 1uiw s SER 52 Ca 0.00 2.71 -0.03 0.00 0.48 0.00 0.00 55.95 59.11 1uiw s SER 52 Cb 0.00 -2.63 0.35 0.00 0.10 0.00 0.00 66.02 63.83 1uiw s SER 52 CO 0.00 -1.37 1.86 0.00 0.98 0.00 0.00 173.24 174.71 1uiw h ALA 53 N 1.74 1.23 -0.57 5.32 0.00 -1.92 -2.39 119.26 122.68 1uiw h ALA 53 Ca -0.51 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 1uiw h ALA 53 Cb 1.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1uiw h ALA 53 CO 0.59 0.58 0.03 1.96 0.00 0.00 0.00 179.25 182.41 1uiw h GLN 54 N 1.01 0.99 -0.45 0.00 4.20 -1.92 -1.66 115.11 117.28 1uiw h GLN 54 Ca 0.24 -0.30 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 1uiw h GLN 54 Cb 0.13 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1uiw h GLN 54 CO -0.03 0.97 -0.20 0.28 -0.67 0.00 0.00 178.83 179.18 1uiw h VAL 55 N 0.88 1.27 -0.27 -0.54 2.07 -1.76 -1.54 116.25 116.37 1uiw h VAL 55 Ca 0.17 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1uiw h VAL 55 Cb 0.50 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1uiw h VAL 55 CO 0.02 0.46 0.13 0.50 0.02 0.00 0.00 177.57 178.71 1uiw h LYS 56 N 0.78 0.38 -0.42 1.57 3.64 -1.29 -0.99 116.57 120.25 1uiw h LYS 56 Ca 0.11 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1uiw h LYS 56 Cb 0.75 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1uiw h LYS 56 CO 0.06 0.36 0.19 0.78 -2.27 0.00 0.00 179.45 178.57 1uiw h GLY 57 N 0.30 0.65 1.06 5.01 0.00 -1.26 -2.58 103.07 106.24 1uiw h GLY 57 Ca 0.09 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 1uiw h GLY 57 CO -0.01 0.31 0.14 0.84 0.00 0.00 0.00 176.54 177.82 1uiw h HIS 58 N 0.53 1.17 -0.96 5.60 -0.00 -1.19 -2.95 115.15 117.35 1uiw h HIS 58 Ca 0.14 -0.15 0.01 0.00 -0.00 0.00 0.00 60.37 60.37 1uiw h HIS 58 Cb 0.13 -0.32 -0.05 0.00 -0.00 0.00 0.00 27.41 27.17 1uiw h HIS 58 CO -0.01 0.96 0.62 0.78 -0.00 0.00 0.00 177.93 180.28 1uiw h GLY 59 N 1.03 1.36 0.99 5.26 0.00 -1.09 -1.74 103.07 108.88 1uiw h GLY 59 Ca 0.21 -0.52 0.01 0.00 0.00 0.00 0.00 47.33 47.03 1uiw h GLY 59 CO 0.01 0.51 0.38 1.70 0.00 0.00 0.00 176.54 179.13 1uiw h LYS 60 N 1.30 0.74 -0.63 4.80 3.64 -1.39 -1.73 116.57 123.30 1uiw h LYS 60 Ca 0.35 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1uiw h LYS 60 Cb -0.13 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.50 1uiw h LYS 60 CO -0.07 0.49 0.28 0.87 -2.27 0.00 0.00 179.45 178.75 1uiw h LYS 61 N 0.76 0.92 -0.28 1.90 1.57 -1.27 -1.39 116.57 118.78 1uiw h LYS 61 Ca 0.21 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1uiw h LYS 61 Cb -0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1uiw h LYS 61 CO -0.05 0.76 0.17 0.28 -0.57 0.00 0.00 179.45 180.03 1uiw h VAL 62 N 0.87 1.11 -0.54 0.50 2.07 -1.27 -2.00 116.25 116.98 1uiw h VAL 62 Ca 0.21 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.48 1uiw h VAL 62 Cb 0.16 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1uiw h VAL 62 CO -0.02 0.11 0.34 0.00 0.02 0.00 0.00 177.57 178.02 1uiw h ALA 63 N 1.05 0.70 -0.28 1.67 0.00 -1.20 -2.11 119.26 119.09 1uiw h ALA 63 Ca 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1uiw h ALA 63 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1uiw h ALA 63 CO -0.02 0.08 -0.11 -0.44 0.00 0.00 0.00 179.25 178.76 1uiw h ASP 64 N 0.69 0.44 -0.59 0.00 3.32 -1.13 -0.96 116.42 118.20 1uiw h ASP 64 Ca 0.21 -0.11 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 1uiw h ASP 64 Cb -0.03 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 1uiw h ASP 64 CO -0.07 0.59 0.04 0.00 -1.72 0.00 0.00 179.24 178.08 1uiw h ALA 65 N 1.46 0.92 -0.64 3.45 0.00 -1.07 -1.82 119.26 121.56 1uiw h ALA 65 Ca 0.08 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1uiw h ALA 65 Cb 0.45 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1uiw h ALA 65 CO 0.03 0.65 0.07 -0.07 0.00 0.00 0.00 179.25 179.93 1uiw h LEU 66 N 0.96 1.04 -0.58 0.00 3.38 -0.86 -1.69 115.31 117.54 1uiw h LEU 66 Ca 0.18 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1uiw h LEU 66 Cb 0.49 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1uiw h LEU 66 CO 0.02 1.05 0.38 0.74 0.09 0.00 0.00 178.44 180.71 1uiw h THR 67 N 1.00 1.16 -0.88 0.22 2.02 -1.01 -1.50 112.91 113.91 1uiw h THR 67 Ca 0.19 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1uiw h THR 67 Cb 0.47 0.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1uiw h THR 67 CO 0.02 0.15 0.58 -1.13 0.37 0.00 0.00 175.52 175.51 1uiw h ASN 68 N 0.79 1.02 -0.69 4.18 -1.24 -1.19 -2.16 115.58 116.30 1uiw h ASN 68 Ca 0.21 -0.03 -0.02 0.00 0.71 0.00 0.00 56.30 57.17 1uiw h ASN 68 Cb -0.07 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.69 1uiw h ASN 68 CO -0.04 0.75 0.36 0.00 -1.29 0.00 0.00 177.43 177.20 1uiw h ALA 69 N 1.32 0.88 -0.32 1.57 0.00 -0.85 -2.23 119.26 119.62 1uiw h ALA 69 Ca 0.32 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1uiw h ALA 69 Cb -0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.37 1uiw h ALA 69 CO -0.07 0.41 0.19 0.28 0.00 0.00 0.00 179.25 180.06 1uiw h VAL 70 N 0.95 1.12 0.00 0.00 2.07 -1.14 -1.79 116.25 117.46 1uiw h VAL 70 Ca 0.24 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 1uiw h VAL 70 Cb 0.07 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1uiw h VAL 70 CO -0.04 0.12 -0.01 0.00 0.02 0.00 0.00 177.57 177.67 1uiw h ALA 71 N 1.07 1.53 -0.44 1.67 0.00 -1.22 -2.89 119.26 118.97 1uiw h ALA 71 Ca 0.12 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.70 1uiw h ALA 71 Cb 0.03 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.55 1uiw h ALA 71 CO -0.02 0.01 -0.73 0.72 0.00 0.00 0.00 179.25 179.23 1uiw n HIS 72 N -3.86 1.59 0.31 0.00 8.25 -0.85 -4.88 115.22 115.79 1uiw n HIS 72 Ca -0.03 -1.90 0.18 0.00 -0.26 0.00 0.00 57.72 55.71 1uiw n HIS 72 Cb 0.09 -0.30 1.04 0.00 1.12 0.00 0.00 29.99 31.94 1uiw n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1uiw h VAL 73 N 2.07 0.29 0.00 1.59 3.04 -1.11 -1.03 116.25 121.09 1uiw h VAL 73 Ca 0.19 -0.05 -0.05 0.00 -1.01 0.00 0.00 66.70 65.79 1uiw h VAL 73 Cb 1.34 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.65 1uiw h VAL 73 CO 0.44 0.01 -0.22 0.44 -1.01 0.00 0.00 177.57 177.23 1uiw h ASP 74 N 0.00 0.00 -1.54 3.17 3.32 -1.89 -3.39 116.42 116.10 1uiw h ASP 74 Ca -0.00 0.00 -0.47 0.00 0.02 0.00 0.00 57.03 56.58 1uiw h ASP 74 Cb 0.03 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.26 1uiw h ASP 74 CO 0.00 0.22 -0.94 -0.67 -1.72 0.00 0.00 179.24 176.13 1uiw n ASP 75 N -3.26 -0.70 -0.04 6.45 -0.08 -0.40 -5.00 116.55 113.53 1uiw n ASP 75 Ca 0.01 -2.81 -0.10 0.00 -1.51 0.00 0.00 54.79 50.38 1uiw n ASP 75 Cb 0.50 0.01 0.05 0.00 2.34 0.00 0.00 41.12 44.02 1uiw n ASP 75 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1uiw h MET 76 N 4.16 0.67 -0.82 -0.67 2.86 -1.74 -2.82 114.93 116.57 1uiw h MET 76 Ca 0.03 -0.37 0.14 0.00 -2.06 0.00 0.00 59.70 57.44 1uiw h MET 76 Cb 0.92 0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.51 1uiw h MET 76 CO 0.41 0.99 0.40 -1.35 1.06 0.00 0.00 176.91 178.42 1uiw h PRO 77 N 0.54 0.57 0.02 -0.22 0.11 -1.94 -1.20 132.00 129.88 1uiw h PRO 77 Ca 0.03 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.84 1uiw h PRO 77 Cb 1.00 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 32.00 1uiw h PRO 77 CO 0.09 0.38 -1.07 -0.91 -0.21 0.00 0.00 178.00 176.28 1uiw h ASN 78 N 0.59 0.86 -0.23 -2.05 4.21 -1.97 -2.97 115.58 114.02 1uiw h ASN 78 Ca 0.44 -0.71 -0.04 0.00 1.21 0.00 0.00 56.30 57.21 1uiw h ASN 78 Cb 0.63 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.54 1uiw h ASN 78 CO -0.36 1.51 0.03 0.00 -1.29 0.00 0.00 177.43 177.32 1uiw h ALA 79 N 0.43 1.46 -0.58 -0.83 0.00 -1.23 -3.05 119.26 115.46 1uiw h ALA 79 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1uiw h ALA 79 Cb 1.72 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1uiw h ALA 79 CO 0.21 0.39 0.00 1.28 0.00 0.00 0.00 179.25 181.13 1uiw n LEU 80 N -4.32 4.33 -0.23 0.00 4.77 -0.48 -4.73 117.00 116.34 1uiw n LEU 80 Ca 0.01 -2.39 -0.04 0.00 -0.03 0.00 0.00 56.01 53.56 1uiw n LEU 80 Cb 0.21 -0.52 0.06 0.00 -2.33 0.00 0.00 43.42 40.85 1uiw n LEU 80 CO 0.38 0.81 1.13 -1.28 -1.33 0.00 0.00 177.39 177.11 1uiw h SER 81 N 3.60 0.70 -0.69 -1.43 0.87 -1.40 -0.85 113.55 114.34 1uiw h SER 81 Ca 0.00 -0.01 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 1uiw h SER 81 Cb 1.30 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 1uiw h SER 81 CO 0.17 0.49 0.20 0.00 -0.53 0.00 0.00 176.83 177.17 1uiw h ALA 82 N 1.27 1.03 -0.19 6.23 0.00 -1.85 -1.82 119.26 123.92 1uiw h ALA 82 Ca 0.26 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1uiw h ALA 82 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1uiw h ALA 82 CO -0.09 0.65 -0.50 1.25 0.00 0.00 0.00 179.25 180.56 1uiw h LEU 83 N 1.05 0.58 -0.69 0.00 5.85 -1.77 -2.25 115.31 118.07 1uiw h LEU 83 Ca 0.23 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.55 1uiw h LEU 83 Cb 0.32 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1uiw h LEU 83 CO -0.00 0.98 -0.13 0.77 -0.34 0.00 0.00 178.44 179.71 1uiw h SER 84 N 0.42 0.87 -0.46 1.25 4.64 -1.06 -2.31 113.55 116.90 1uiw h SER 84 Ca 0.02 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1uiw h SER 84 Cb 1.02 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 1uiw h SER 84 CO 0.09 1.01 0.30 0.44 -0.87 0.00 0.00 176.83 177.80 1uiw h ASP 85 N 0.78 0.53 -0.46 4.97 3.32 -1.19 -1.84 116.42 122.52 1uiw h ASP 85 Ca 0.12 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1uiw h ASP 85 Cb 0.65 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1uiw h ASP 85 CO 0.05 0.39 0.30 0.25 -1.72 0.00 0.00 179.24 178.50 1uiw h LEU 86 N 0.62 0.53 -0.47 1.55 5.85 -1.25 -1.52 115.31 120.63 1uiw h LEU 86 Ca 0.17 -0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 1uiw h LEU 86 Cb -0.07 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1uiw h LEU 86 CO -0.04 0.40 -0.35 0.45 -0.34 0.00 0.00 178.44 178.56 1uiw h HIS 87 N 0.62 1.04 -0.43 1.25 3.86 -1.34 -2.07 115.15 118.09 1uiw h HIS 87 Ca 0.17 -0.30 -0.14 0.00 -1.16 0.00 0.00 60.37 58.94 1uiw h HIS 87 Cb -0.05 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 1uiw h HIS 87 CO -0.04 1.10 -0.27 0.00 0.86 0.00 0.00 177.93 179.58 1uiw h ALA 88 N 0.86 0.61 0.00 2.45 0.00 -1.21 0.88 119.26 122.85 1uiw h ALA 88 Ca 0.07 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 1uiw h ALA 88 Cb 0.93 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1uiw h ALA 88 CO 0.09 0.64 -2.04 0.72 0.00 0.00 0.00 179.25 178.66 1uiw n HIS 89 N -4.12 0.00 0.00 0.00 8.25 -0.58 -4.60 115.22 114.17 1uiw n HIS 89 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1uiw n HIS 89 Cb 0.49 -0.68 -0.00 0.00 1.12 0.00 0.00 29.99 30.91 1uiw n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1uiw n LYS 90 N -2.45 0.07 -0.13 -0.41 4.81 -0.87 -4.86 118.16 114.33 1uiw n LYS 90 Ca -0.19 0.03 -0.09 0.00 -0.87 0.00 0.00 58.31 57.19 1uiw n LYS 90 Cb 0.84 -0.43 -0.01 0.00 0.02 0.00 0.00 35.03 35.45 1uiw n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1uiw h LEU 91 N -0.14 0.53 -0.51 3.14 3.38 -1.51 -3.47 115.31 116.73 1uiw h LEU 91 Ca 0.00 -0.17 -0.41 0.00 0.09 0.00 0.00 57.88 57.39 1uiw h LEU 91 Cb 0.14 -0.14 0.10 0.00 0.09 0.00 0.00 40.66 40.85 1uiw h LEU 91 CO 0.00 0.56 -0.67 0.54 0.09 0.00 0.00 178.44 178.96 1uiw n ARG 92 N -4.65 -7.09 -1.98 1.13 1.74 0.30 -4.95 116.66 101.16 1uiw n ARG 92 Ca -0.00 0.81 -0.42 0.00 -0.77 0.00 0.00 57.85 57.47 1uiw n ARG 92 Cb 0.15 -5.81 -0.03 0.00 -1.02 0.00 0.00 32.46 25.75 1uiw n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1uiw s VAL 93 N -3.29 2.99 0.20 1.55 1.01 -1.26 -4.95 120.40 116.65 1uiw s VAL 93 Ca 0.55 0.58 -0.32 0.00 0.00 0.00 0.00 61.98 62.78 1uiw s VAL 93 Cb -0.25 -3.37 -0.13 0.00 0.00 0.00 0.00 36.38 32.63 1uiw s VAL 93 CO 0.68 0.02 1.63 -0.67 0.00 0.00 0.00 175.10 176.76 1uiw n ASP 94 N 4.82 3.54 -0.40 3.32 -0.08 -1.26 -4.85 116.55 121.64 1uiw n ASP 94 Ca 0.14 1.08 0.38 0.00 -1.51 0.00 0.00 54.79 54.89 1uiw n ASP 94 Cb 0.40 -1.51 0.75 0.00 2.34 0.00 0.00 41.12 43.10 1uiw n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1uiw h PRO 95 N 6.05 0.02 -0.12 -0.67 0.11 -2.00 -2.17 132.00 133.23 1uiw h PRO 95 Ca -0.44 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.70 1uiw h PRO 95 Cb 1.23 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1uiw h PRO 95 CO 0.90 0.02 0.15 -0.39 -0.21 0.00 0.00 178.00 178.46 1uiw h VAL 96 N 0.02 0.41 0.00 3.15 -1.51 -2.04 -2.85 116.25 113.43 1uiw h VAL 96 Ca 0.65 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 66.10 1uiw h VAL 96 Cb 2.53 0.88 -0.00 0.00 -2.13 0.00 0.00 31.29 32.56 1uiw h VAL 96 CO -0.04 0.00 -0.10 0.78 -1.23 0.00 0.00 177.57 176.99 1uiw h ASN 97 N 0.00 0.00 -0.25 4.19 4.21 -1.75 -3.27 115.58 118.71 1uiw h ASN 97 Ca 0.06 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.49 1uiw h ASN 97 Cb 0.35 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.54 1uiw h ASN 97 CO -0.00 0.10 -0.10 -0.26 -1.29 0.00 0.00 177.43 175.88 1uiw h PHE 98 N 0.00 0.68 -0.00 1.19 -1.00 -1.71 -1.95 116.94 114.16 1uiw h PHE 98 Ca -0.00 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 60.64 1uiw h PHE 98 Cb 0.83 -0.18 -0.01 0.00 3.61 0.00 0.00 35.95 40.20 1uiw h PHE 98 CO 0.00 0.71 -0.16 0.87 -1.61 0.00 0.00 178.31 178.11 1uiw h LYS 99 N 0.58 0.01 -0.03 1.51 1.57 -1.77 -1.63 116.57 116.81 1uiw h LYS 99 Ca 0.11 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 1uiw h LYS 99 Cb 0.51 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.83 1uiw h LYS 99 CO 0.03 0.17 -0.35 -0.07 -0.57 0.00 0.00 179.45 178.66 1uiw h LEU 100 N 0.01 0.36 -0.80 2.94 3.38 -1.52 -2.00 115.31 117.68 1uiw h LEU 100 Ca -0.00 -0.71 -0.04 0.00 0.09 0.00 0.00 57.88 57.23 1uiw h LEU 100 Cb 0.30 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1uiw h LEU 100 CO 0.02 1.02 0.36 0.25 0.09 0.00 0.00 178.44 180.18 1uiw h LEU 101 N -0.26 1.07 -0.35 1.67 5.85 -1.42 -2.50 115.31 119.37 1uiw h LEU 101 Ca -0.03 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.57 1uiw h LEU 101 Cb 1.04 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 1uiw h LEU 101 CO 0.07 0.92 0.15 0.28 -0.34 0.00 0.00 178.44 179.52 1uiw h SER 102 N 1.14 0.20 -0.69 1.25 0.02 -1.26 -0.19 113.55 114.03 1uiw h SER 102 Ca 0.27 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.27 1uiw h SER 102 Cb 0.15 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 1uiw h SER 102 CO -0.03 0.15 0.44 -0.74 -1.14 0.00 0.00 176.83 175.51 1uiw h HIS 103 N 0.32 0.83 -0.11 3.45 -0.00 -1.31 -1.81 115.15 116.53 1uiw h HIS 103 Ca 0.15 0.02 -0.10 0.00 -0.00 0.00 0.00 60.37 60.44 1uiw h HIS 103 Cb 0.10 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 1uiw h HIS 103 CO -0.12 0.49 -0.39 0.00 -0.00 0.00 0.00 177.93 177.91 1uiw h LEU 105 N 0.19 0.51 -0.37 0.00 3.38 -0.76 -1.90 115.31 116.36 1uiw h LEU 105 Ca 0.02 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1uiw h LEU 105 Cb 0.78 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1uiw h LEU 105 CO 0.06 0.55 0.13 -0.07 0.09 0.00 0.00 178.44 179.19 1uiw h LEU 106 N 0.44 0.13 -0.75 1.67 3.38 -0.99 -1.90 115.31 117.29 1uiw h LEU 106 Ca 0.12 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1uiw h LEU 106 Cb 0.20 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.95 1uiw h LEU 106 CO -0.01 0.11 0.42 0.58 0.09 0.00 0.00 178.44 179.64 1uiw h VAL 107 N 0.28 1.22 -0.17 1.22 2.07 -1.20 -1.22 116.25 118.45 1uiw h VAL 107 Ca 0.17 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.16 1uiw h VAL 107 Cb 0.15 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1uiw h VAL 107 CO -0.17 0.25 0.08 0.74 0.02 0.00 0.00 177.57 178.48 1uiw h THR 108 N 1.04 0.98 -0.74 2.57 2.02 -1.15 -1.95 112.91 115.69 1uiw h THR 108 Ca 0.27 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.39 1uiw h THR 108 Cb 0.02 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 67.19 1uiw h THR 108 CO -0.04 0.03 0.48 -0.07 0.37 0.00 0.00 175.52 176.29 1uiw h LEU 109 N 0.17 0.86 -1.29 2.58 3.38 -1.18 -2.60 115.31 117.23 1uiw h LEU 109 Ca 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1uiw h LEU 109 Cb 0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1uiw h LEU 109 CO -0.06 0.63 0.42 0.00 0.09 0.00 0.00 178.44 179.52 1uiw h ALA 110 N 1.27 1.48 0.00 1.53 0.00 -1.02 -0.47 119.26 122.04 1uiw h ALA 110 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1uiw h ALA 110 Cb -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.41 1uiw h ALA 110 CO -0.06 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.66 1uiw h ALA 111 N 1.54 1.00 0.00 0.00 0.00 -0.98 -3.28 119.26 117.54 1uiw h ALA 111 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1uiw h ALA 111 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1uiw h ALA 111 CO -0.05 0.00 -0.45 0.72 0.00 0.00 0.00 179.25 179.47 1uiw n HIS 112 N -2.46 0.00 -3.40 0.00 -0.00 -0.96 -4.86 115.22 103.53 1uiw n HIS 112 Ca 0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.49 1uiw n HIS 112 Cb 0.35 -0.02 -0.08 0.00 -0.00 0.00 0.00 29.99 30.24 1uiw n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1uiw n LEU 113 N -1.24 3.05 -0.23 2.41 4.77 -0.23 -4.97 117.00 120.57 1uiw n LEU 113 Ca 0.01 -5.29 -0.02 0.00 -0.03 0.00 0.00 56.01 50.68 1uiw n LEU 113 Cb 0.11 -0.42 0.09 0.00 -2.33 0.00 0.00 43.42 40.87 1uiw n LEU 113 CO 0.14 2.05 1.10 1.55 -1.33 0.00 0.00 177.39 180.89 1uiw h PRO 114 N 4.21 0.69 0.20 3.23 0.13 -1.86 -2.43 132.00 136.16 1uiw h PRO 114 Ca 0.17 -0.04 -0.33 0.00 -0.87 0.00 0.00 66.00 64.94 1uiw h PRO 114 Cb 0.71 -0.16 0.02 0.00 0.13 0.00 0.00 31.00 31.70 1uiw h PRO 114 CO 0.76 0.46 -1.53 0.00 -0.23 0.00 0.00 178.00 177.46 1uiw h ALA 115 N 1.34 0.03 0.00 -0.56 0.00 -1.96 -3.39 119.26 114.71 1uiw h ALA 115 Ca 0.29 -0.98 -0.12 0.00 0.00 0.00 0.00 54.91 54.10 1uiw h ALA 115 Cb 0.16 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1uiw h ALA 115 CO -0.17 0.90 -0.58 1.49 0.00 0.00 0.00 179.25 180.89 1uiw h GLU 116 N 0.11 0.00 -3.22 0.00 4.57 -1.96 -3.40 114.58 110.69 1uiw h GLU 116 Ca -0.26 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.24 1uiw h GLU 116 Cb 2.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.69 1uiw h GLU 116 CO 0.22 0.58 3.61 0.34 -1.18 0.00 0.00 179.01 182.59 1uiw n PHE 117 N -3.25 2.69 -1.57 0.92 7.35 -0.92 -4.80 117.46 117.88 1uiw n PHE 117 Ca 0.02 -3.06 -0.29 0.00 -0.76 0.00 0.00 57.45 53.36 1uiw n PHE 117 Cb 0.77 -2.48 0.11 0.00 0.35 0.00 0.00 39.48 38.23 1uiw n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1uiw s THR 118 N 2.24 2.61 0.22 -2.13 -4.23 -1.26 -4.80 115.64 108.28 1uiw s THR 118 Ca 0.64 0.20 -0.09 0.00 -1.18 0.00 0.00 61.69 61.26 1uiw s THR 118 Cb 0.17 -2.97 0.16 0.00 1.34 0.00 0.00 72.50 71.21 1uiw s THR 118 CO -0.07 -0.26 1.73 -0.65 -0.54 0.00 0.00 174.62 174.83 1uiw h PRO 119 N -1.23 0.36 -0.71 3.99 0.11 -1.99 -1.05 132.00 131.47 1uiw h PRO 119 Ca -0.48 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 1uiw h PRO 119 Cb 1.30 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 1uiw h PRO 119 CO 0.61 0.24 0.28 0.00 -0.21 0.00 0.00 178.00 178.91 1uiw h ALA 120 N 1.46 0.92 -0.44 -0.75 0.00 -1.97 -2.20 119.26 116.27 1uiw h ALA 120 Ca 0.33 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1uiw h ALA 120 Cb 0.45 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1uiw h ALA 120 CO -0.35 0.54 -0.16 0.28 0.00 0.00 0.00 179.25 179.56 1uiw h VAL 121 N 1.01 1.27 -0.36 0.00 2.07 -1.82 -2.35 116.25 116.08 1uiw h VAL 121 Ca 0.23 -1.30 0.08 0.00 0.82 0.00 0.00 66.70 66.53 1uiw h VAL 121 Cb 0.21 1.18 -0.08 0.00 -1.52 0.00 0.00 31.29 31.09 1uiw h VAL 121 CO -0.02 0.44 -0.17 -0.74 0.02 0.00 0.00 177.57 177.11 1uiw h HIS 122 N 0.73 -0.41 -0.26 1.57 6.17 -1.10 -0.48 115.15 121.35 1uiw h HIS 122 Ca 0.11 0.04 0.02 0.00 0.71 0.00 0.00 60.37 61.24 1uiw h HIS 122 Cb 0.72 0.24 -0.02 0.00 2.52 0.00 0.00 27.41 30.86 1uiw h HIS 122 CO 0.05 -0.24 0.13 0.00 0.71 0.00 0.00 177.93 178.58 1uiw h ALA 123 N 1.16 0.32 -0.35 5.26 0.00 -1.27 -1.45 119.26 122.92 1uiw h ALA 123 Ca 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1uiw h ALA 123 Cb 0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1uiw h ALA 123 CO -0.42 -0.27 0.17 0.77 0.00 0.00 0.00 179.25 179.49 1uiw h SER 124 N 0.27 0.46 -0.81 0.00 0.02 -1.19 -1.86 113.55 110.44 1uiw h SER 124 Ca 0.11 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1uiw h SER 124 Cb 0.04 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.42 1uiw h SER 124 CO -0.08 0.46 0.50 -0.07 -1.14 0.00 0.00 176.83 176.50 1uiw h LEU 125 N 0.43 0.96 -0.45 5.07 3.38 -1.00 -1.04 115.31 122.65 1uiw h LEU 125 Ca 0.12 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1uiw h LEU 125 Cb 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1uiw h LEU 125 CO -0.01 0.73 0.22 -0.78 0.09 0.00 0.00 178.44 178.68 1uiw h ASP 126 N 1.10 0.59 -0.34 -0.43 3.58 -1.04 -1.34 116.42 118.54 1uiw h ASP 126 Ca 0.29 -0.13 0.02 0.00 0.42 0.00 0.00 57.03 57.64 1uiw h ASP 126 Cb -0.06 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 40.81 1uiw h ASP 126 CO -0.06 0.55 0.17 0.11 -2.88 0.00 0.00 179.24 177.13 1uiw h LYS 127 N 0.58 0.34 -0.11 0.28 1.57 -1.16 -1.86 116.57 116.21 1uiw h LYS 127 Ca 0.15 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1uiw h LYS 127 Cb 0.12 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 1uiw h LYS 127 CO -0.02 0.23 -0.05 0.35 -0.57 0.00 0.00 179.45 179.39 1uiw h PHE 128 N 0.35 -0.11 -0.32 -1.35 3.57 -0.98 -1.15 116.94 116.95 1uiw h PHE 128 Ca 0.14 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 1uiw h PHE 128 Cb 0.05 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1uiw h PHE 128 CO -0.10 -0.08 -0.14 -0.07 -2.23 0.00 0.00 178.31 175.69 1uiw h LEU 129 N -0.03 0.54 -0.70 0.59 3.38 -1.17 -1.05 115.31 116.86 1uiw h LEU 129 Ca 0.06 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1uiw h LEU 129 Cb 0.13 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1uiw h LEU 129 CO -0.14 0.71 0.27 0.00 0.09 0.00 0.00 178.44 179.37 1uiw h ALA 130 N 1.34 0.92 -0.43 1.53 0.00 -1.12 -1.60 119.26 119.89 1uiw h ALA 130 Ca 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1uiw h ALA 130 Cb 0.54 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1uiw h ALA 130 CO 0.03 0.55 0.12 1.03 0.00 0.00 0.00 179.25 180.98 1uiw h SER 131 N 1.01 0.64 -0.42 0.00 0.87 -0.75 -1.08 113.55 113.83 1uiw h SER 131 Ca 0.23 -0.22 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1uiw h SER 131 Cb 0.23 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 1uiw h SER 131 CO -0.02 0.69 0.16 0.58 -0.53 0.00 0.00 176.83 177.72 1uiw h VAL 132 N 0.56 0.90 -0.72 2.23 2.07 -1.11 -2.04 116.25 118.14 1uiw h VAL 132 Ca 0.14 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1uiw h VAL 132 Cb 0.29 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 1uiw h VAL 132 CO -0.00 0.06 0.45 0.28 0.02 0.00 0.00 177.57 178.38 1uiw h SER 133 N 0.34 0.85 -0.51 0.57 0.02 -1.06 -1.68 113.55 112.07 1uiw h SER 133 Ca 0.19 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.10 1uiw h SER 133 Cb 0.16 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1uiw h SER 133 CO -0.18 0.64 0.33 0.74 -1.14 0.00 0.00 176.83 177.23 1uiw h THR 134 N 0.97 1.12 -0.37 -2.27 2.02 -1.01 -2.30 112.91 111.08 1uiw h THR 134 Ca 0.26 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1uiw h THR 134 Cb -0.06 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 1uiw h THR 134 CO -0.05 0.12 0.19 0.58 0.37 0.00 0.00 175.52 176.73 1uiw h VAL 135 N 0.68 1.16 0.00 3.16 2.07 -1.04 -2.45 116.25 119.83 1uiw h VAL 135 Ca 0.19 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1uiw h VAL 135 Cb -0.07 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1uiw h VAL 135 CO -0.05 0.17 0.00 -0.07 0.02 0.00 0.00 177.57 177.64 1uiw h LEU 136 N 0.46 0.00 -2.14 2.57 3.38 -1.06 -2.51 115.31 116.02 1uiw h LEU 136 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1uiw h LEU 136 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1uiw h LEU 136 CO -0.02 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.86 1uiw n THR 137 N -2.83 0.45 0.37 0.22 -2.24 -0.89 -4.54 114.28 104.81 1uiw n THR 137 Ca -0.01 -0.72 0.14 0.00 -2.27 0.00 0.00 64.05 61.18 1uiw n THR 137 Cb 0.15 0.94 0.55 0.00 -2.10 0.00 0.00 70.33 69.87 1uiw n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1uiw h SER 138 N 2.76 0.00 -0.28 3.42 4.64 -0.97 -3.06 113.55 120.06 1uiw h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uiw h SER 138 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1uiw h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1uiw n LYS 139 N -2.55 2.85 0.18 4.77 5.02 -1.26 -4.75 118.16 122.41 1uiw n LYS 139 Ca 0.02 -2.25 0.02 0.00 -2.02 0.00 0.00 58.31 54.08 1uiw n LYS 139 Cb 0.27 -1.42 0.32 0.00 -0.02 0.00 0.00 35.03 34.19 1uiw n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1uiw h TYR 140 N 1.72 0.00 0.00 2.13 -1.99 -1.87 -3.47 116.97 113.49 1uiw h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1uiw h TYR 140 Cb 0.93 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.66 1uiw h TYR 140 CO 0.28 0.42 0.00 2.89 -0.00 0.00 0.00 178.16 181.75