#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ydz s LEU 2 N 0.00 4.30 0.88 -0.89 1.43 -1.26 -5.07 118.68 118.07 1ydz s LEU 2 Ca 0.00 0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 53.97 1ydz s LEU 2 Cb 0.00 -2.87 0.12 0.00 0.03 0.00 0.00 46.19 43.47 1ydz s LEU 2 CO 0.00 -0.04 1.11 -0.94 0.23 0.00 0.00 176.35 176.71 1ydz s SER 3 N 0.65 3.75 0.22 2.29 1.04 -1.26 -4.80 113.70 115.59 1ydz s SER 3 Ca 0.31 1.21 -0.07 0.00 0.48 0.00 0.00 55.95 57.88 1ydz s SER 3 Cb -0.16 -1.87 0.34 0.00 0.10 0.00 0.00 66.02 64.42 1ydz s SER 3 CO 0.14 -2.43 1.76 -0.65 0.98 0.00 0.00 173.24 173.04 1ydz h PRO 4 N -1.41 0.52 -0.11 4.02 0.11 -1.99 -0.71 132.00 132.44 1ydz h PRO 4 Ca -0.50 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1ydz h PRO 4 Cb 1.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1ydz h PRO 4 CO 0.59 0.34 0.06 0.00 -0.21 0.00 0.00 178.00 178.78 1ydz h ALA 5 N 1.44 0.14 -0.44 -0.75 0.00 -1.99 0.03 119.26 117.69 1ydz h ALA 5 Ca 0.35 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.30 1ydz h ALA 5 Cb 0.41 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.07 1ydz h ALA 5 CO -0.30 -0.33 -0.20 -0.44 0.00 0.00 0.00 179.25 177.99 1ydz h ASP 6 N 0.08 -0.68 -0.33 0.00 3.32 -1.57 -1.07 116.42 116.18 1ydz h ASP 6 Ca 0.04 0.16 0.06 0.00 0.02 0.00 0.00 57.03 57.31 1ydz h ASP 6 Cb 0.07 0.37 -0.06 0.00 0.22 0.00 0.00 39.33 39.93 1ydz h ASP 6 CO -0.01 -0.23 -0.05 0.11 -1.72 0.00 0.00 179.24 177.35 1ydz h LYS 7 N -0.11 0.04 -0.87 3.56 1.57 -0.86 -1.35 116.57 118.54 1ydz h LYS 7 Ca 0.21 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1ydz h LYS 7 Cb 0.43 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 1ydz h LYS 7 CO -0.51 0.02 0.55 1.15 -0.57 0.00 0.00 179.45 180.09 1ydz h THR 8 N 0.04 1.24 -0.25 -0.16 2.02 -0.20 -1.50 112.91 114.09 1ydz h THR 8 Ca 0.16 -0.49 -0.10 0.00 0.77 0.00 0.00 66.41 66.75 1ydz h THR 8 Cb 0.23 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1ydz h THR 8 CO -0.31 0.24 -0.26 0.78 0.37 0.00 0.00 175.52 176.35 1ydz h ASN 9 N 1.19 0.65 -0.37 4.18 -0.26 -0.86 -1.97 115.58 118.14 1ydz h ASN 9 Ca 0.32 -0.48 0.03 0.00 -0.56 0.00 0.00 56.30 55.61 1ydz h ASN 9 Cb -0.08 -0.18 -0.03 0.00 -1.06 0.00 0.00 38.32 36.96 1ydz h ASN 9 CO -0.06 1.00 0.18 0.58 -1.06 0.00 0.00 177.43 178.07 1ydz h VAL 10 N 0.32 0.98 -0.47 2.81 2.07 -1.04 -0.52 116.25 120.40 1ydz h VAL 10 Ca 0.04 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1ydz h VAL 10 Cb 0.82 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1ydz h VAL 10 CO 0.06 0.07 0.27 0.11 0.02 0.00 0.00 177.57 178.10 1ydz h LYS 11 N 0.38 0.64 0.15 1.57 1.57 -1.23 0.24 116.57 119.87 1ydz h LYS 11 Ca 0.16 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1ydz h LYS 11 Cb 0.07 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1ydz h LYS 11 CO -0.11 0.48 -0.07 0.00 -0.57 0.00 0.00 179.45 179.17 1ydz h ALA 12 N 1.12 -0.20 -0.16 3.86 0.00 -1.06 -0.83 119.26 122.00 1ydz h ALA 12 Ca 0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1ydz h ALA 12 Cb 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1ydz h ALA 12 CO -0.03 -0.57 -0.10 0.00 0.00 0.00 0.00 179.25 178.55 1ydz h ALA 13 N 0.55 0.22 -0.45 0.00 0.00 -1.00 -2.25 119.26 116.34 1ydz h ALA 13 Ca -0.02 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1ydz h ALA 13 Cb 0.23 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ydz h ALA 13 CO 0.03 0.06 0.14 2.35 0.00 0.00 0.00 179.25 181.83 1ydz h TRP 14 N -0.00 0.66 -0.46 0.00 2.91 -0.57 -1.10 115.95 117.38 1ydz h TRP 14 Ca 0.03 -0.04 0.08 0.00 1.13 0.00 0.00 58.89 60.09 1ydz h TRP 14 Cb 0.60 -0.20 -0.06 0.00 -0.51 0.00 0.00 29.16 28.98 1ydz h TRP 14 CO 0.07 0.54 0.10 0.78 -1.03 0.00 0.00 178.44 178.90 1ydz h GLY 15 N 0.83 0.56 1.58 2.65 0.00 -1.03 0.44 103.07 108.11 1ydz h GLY 15 Ca 0.15 -0.03 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 1ydz h GLY 15 CO -0.01 -0.05 -0.45 0.50 0.00 0.00 0.00 176.54 176.53 1ydz h LYS 16 N 0.24 0.45 -0.32 4.80 1.79 -0.77 -2.67 116.57 120.09 1ydz h LYS 16 Ca 0.23 -0.24 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1ydz h LYS 16 Cb 0.29 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1ydz h LYS 16 CO -0.30 0.82 0.19 0.28 -1.08 0.00 0.00 179.45 179.37 1ydz h VAL 17 N 0.37 1.11 0.00 0.50 2.07 -0.51 -3.43 116.25 116.35 1ydz h VAL 17 Ca 0.03 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1ydz h VAL 17 Cb 0.94 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1ydz h VAL 17 CO 0.08 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.39 1ydz n GLY 18 N -1.08 1.24 0.30 2.17 0.00 0.08 -0.92 105.19 106.97 1ydz n GLY 18 Ca -0.01 0.70 0.14 0.00 0.00 0.00 0.00 46.02 46.85 1ydz n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ydz h ALA 19 N -0.13 1.63 -0.27 4.61 0.00 -1.85 -3.24 119.26 120.01 1ydz h ALA 19 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ydz h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ydz h ALA 19 CO 0.00 -0.03 0.00 0.72 0.00 0.00 0.00 179.25 179.94 1ydz n HIS 20 N -3.95 0.35 -0.26 0.00 8.25 -0.10 -4.64 115.22 114.87 1ydz n HIS 20 Ca -0.03 -0.22 0.07 0.00 -0.26 0.00 0.00 57.72 57.29 1ydz n HIS 20 Cb 0.10 -0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.41 1ydz n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ydz h ALA 21 N 3.66 0.99 -0.18 -1.41 0.00 -1.69 0.85 119.26 121.48 1ydz h ALA 21 Ca 0.00 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1ydz h ALA 21 Cb 0.84 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1ydz h ALA 21 CO 0.00 -0.38 -0.08 0.78 0.00 0.00 0.00 179.25 179.58 1ydz h GLY 22 N 0.23 0.09 1.89 0.00 0.00 -1.83 1.97 103.07 105.42 1ydz h GLY 22 Ca 0.44 0.10 -0.12 0.00 0.00 0.00 0.00 47.33 47.75 1ydz h GLY 22 CO -0.57 -0.10 -0.53 1.05 0.00 0.00 0.00 176.54 176.39 1ydz h GLU 23 N -0.05 0.12 -0.06 4.80 4.11 -1.63 0.23 114.58 122.09 1ydz h GLU 23 Ca 0.10 -0.07 -0.19 0.00 0.07 0.00 0.00 59.36 59.26 1ydz h GLU 23 Cb 0.20 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.46 1ydz h GLU 23 CO -0.22 0.62 -0.71 1.88 0.07 0.00 0.00 179.01 180.66 1ydz h TYR 24 N 0.09 0.84 0.19 2.06 0.99 -0.46 -0.22 116.97 120.45 1ydz h TYR 24 Ca -0.00 -0.41 0.01 0.00 2.00 0.00 0.00 58.73 60.33 1ydz h TYR 24 Cb 0.97 -0.11 -0.04 0.00 1.00 0.00 0.00 36.73 38.55 1ydz h TYR 24 CO 0.01 1.22 -0.40 0.78 -0.00 0.00 0.00 178.16 179.77 1ydz h GLY 25 N 0.21 -0.83 1.23 3.88 0.00 0.34 0.76 103.07 108.66 1ydz h GLY 25 Ca -0.07 0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 1ydz h GLY 25 CO 0.14 -0.28 0.46 0.00 0.00 0.00 0.00 176.54 176.87 1ydz h ALA 26 N -0.19 1.39 -0.05 3.60 0.00 -0.56 -2.15 119.26 121.29 1ydz h ALA 26 Ca 0.01 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1ydz h ALA 26 Cb 0.67 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ydz h ALA 26 CO -0.19 0.53 -0.40 1.49 0.00 0.00 0.00 179.25 180.69 1ydz h GLU 27 N 1.04 0.11 -0.69 0.00 4.81 -0.50 -2.15 114.58 117.21 1ydz h GLU 27 Ca 0.27 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1ydz h GLU 27 Cb -0.05 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1ydz h GLU 27 CO -0.05 0.50 0.19 0.00 -0.73 0.00 0.00 179.01 178.91 1ydz h ALA 28 N 1.50 0.90 -0.72 2.92 0.00 -0.22 -0.66 119.26 122.98 1ydz h ALA 28 Ca 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1ydz h ALA 28 Cb 0.75 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1ydz h ALA 28 CO 0.06 0.60 0.32 -0.07 0.00 0.00 0.00 179.25 180.15 1ydz h LEU 29 N 1.02 0.97 -0.47 0.00 3.38 -1.04 0.37 115.31 119.53 1ydz h LEU 29 Ca 0.22 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1ydz h LEU 29 Cb 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ydz h LEU 29 CO -0.00 0.85 -0.38 -0.08 0.09 0.00 0.00 178.44 178.93 1ydz h GLU 30 N 1.02 0.85 -0.31 1.13 4.81 -1.30 -1.77 114.58 119.01 1ydz h GLU 30 Ca 0.24 -0.44 0.04 0.00 -0.13 0.00 0.00 59.36 59.08 1ydz h GLU 30 Cb 0.17 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.52 1ydz h GLU 30 CO -0.03 1.08 0.08 0.00 -0.73 0.00 0.00 179.01 179.41 1ydz h ARG 31 N 0.70 0.19 0.50 1.92 3.08 -0.50 -2.12 114.38 118.15 1ydz h ARG 31 Ca 0.06 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1ydz h ARG 31 Cb 0.95 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1ydz h ARG 31 CO 0.09 0.12 -0.46 1.98 -1.07 0.00 0.00 179.97 180.63 1ydz h MET 32 N 0.19 -0.92 -0.71 0.04 4.05 -0.69 -0.33 114.93 116.57 1ydz h MET 32 Ca 0.14 0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.62 1ydz h MET 32 Cb 0.14 0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 1ydz h MET 32 CO -0.17 -0.62 0.43 0.74 0.23 0.00 0.00 176.91 177.52 1ydz h PHE 33 N -0.96 0.92 0.00 1.39 0.04 -1.26 1.29 116.94 118.36 1ydz h PHE 33 Ca -0.06 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.46 1ydz h PHE 33 Cb 0.83 -0.30 0.02 0.00 2.20 0.00 0.00 35.95 38.69 1ydz h PHE 33 CO -0.22 0.61 -1.02 -0.07 -0.60 0.00 0.00 178.31 177.01 1ydz h LEU 34 N 0.97 0.79 0.00 1.54 3.38 -1.33 -3.08 115.31 117.58 1ydz h LEU 34 Ca 0.25 -0.64 -0.25 0.00 0.09 0.00 0.00 57.88 57.34 1ydz h LEU 34 Cb -0.05 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1ydz h LEU 34 CO -0.05 1.44 -1.67 -1.20 0.09 0.00 0.00 178.44 177.04 1ydz n SER 35 N -3.82 0.76 -3.41 -0.43 7.64 -0.14 -4.67 113.62 109.55 1ydz n SER 35 Ca -0.10 0.35 -0.27 0.00 1.01 0.00 0.00 58.87 59.87 1ydz n SER 35 Cb 0.87 0.17 -0.11 0.00 -1.01 0.00 0.00 64.21 64.13 1ydz n SER 35 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1ydz s PHE 36 N -2.73 0.77 -1.31 1.43 0.40 0.44 -5.01 117.98 111.97 1ydz s PHE 36 Ca -0.05 -1.88 0.14 0.00 -0.60 0.00 0.00 56.93 54.55 1ydz s PHE 36 Cb 0.08 -0.85 0.69 0.00 0.51 0.00 0.00 43.02 43.45 1ydz s PHE 36 CO 0.82 -0.85 1.41 -0.35 0.70 0.00 0.00 175.22 176.95 1ydz n PRO 37 N 3.48 0.15 0.18 0.24 -0.04 -1.16 -2.32 135.00 135.52 1ydz n PRO 37 Ca 0.20 0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.91 1ydz n PRO 37 Cb 0.43 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.52 1ydz n PRO 37 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1ydz h THR 38 N 0.00 0.52 0.00 0.52 1.35 -1.91 -2.95 112.91 110.44 1ydz h THR 38 Ca 0.00 -1.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.20 1ydz h THR 38 Cb 0.16 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1ydz h THR 38 CO 0.00 0.29 0.00 0.71 -0.25 0.00 0.00 175.52 176.27 1ydz h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.81 -2.28 112.91 117.00 1ydz h THR 39 Ca -0.00 -0.23 -0.02 0.00 -0.55 0.00 0.00 66.41 65.61 1ydz h THR 39 Cb 1.17 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 68.79 1ydz h THR 39 CO 0.04 0.00 -0.08 0.11 -0.25 0.00 0.00 175.52 175.34 1ydz h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.72 -2.97 116.57 118.17 1ydz h LYS 40 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ydz h LYS 40 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1ydz h LYS 40 CO 0.00 0.08 -0.03 1.79 -0.57 0.00 0.00 179.45 180.72 1ydz h THR 41 N 0.00 0.23 0.00 -0.16 1.35 -1.60 -2.01 112.91 110.72 1ydz h THR 41 Ca -0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1ydz h THR 41 Cb 0.24 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1ydz h THR 41 CO 0.01 0.03 -0.48 -1.22 -0.25 0.00 0.00 175.52 173.61 1ydz n TYR 42 N -3.35 0.04 -2.63 4.73 4.01 -1.12 -4.18 117.16 114.66 1ydz n TYR 42 Ca -0.02 0.01 -0.22 0.00 -0.16 0.00 0.00 57.90 57.51 1ydz n TYR 42 Cb 0.16 -0.29 -0.00 0.00 -0.31 0.00 0.00 39.34 38.89 1ydz n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1ydz n PHE 43 N -1.54 2.81 0.27 -0.72 3.01 -0.75 -4.83 117.46 115.70 1ydz n PHE 43 Ca 0.05 -3.21 0.14 0.00 1.01 0.00 0.00 57.45 55.45 1ydz n PHE 43 Cb 0.34 -0.23 0.74 0.00 -0.01 0.00 0.00 39.48 40.32 1ydz n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1ydz h PRO 44 N 2.76 0.00 -0.68 -1.08 0.13 -1.72 -1.89 132.00 129.51 1ydz h PRO 44 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1ydz h PRO 44 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1ydz h PRO 44 CO 0.75 0.10 0.00 -2.39 -0.23 0.00 0.00 178.00 176.23 1ydz n HIS 45 N -3.44 1.20 -4.24 1.56 1.44 -1.26 -4.93 115.22 105.54 1ydz n HIS 45 Ca -0.01 -0.44 -0.28 0.00 -2.01 0.00 0.00 57.72 54.98 1ydz n HIS 45 Cb 0.26 -0.29 -0.09 0.00 0.12 0.00 0.00 29.99 29.99 1ydz n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1ydz s PHE 46 N -1.97 2.72 -0.46 -1.40 0.40 -0.71 -5.07 117.98 111.48 1ydz s PHE 46 Ca 0.35 -0.18 -0.24 0.00 -0.60 0.00 0.00 56.93 56.26 1ydz s PHE 46 Cb 0.25 -1.37 0.03 0.00 0.51 0.00 0.00 43.02 42.43 1ydz s PHE 46 CO 0.13 0.47 0.83 0.34 0.70 0.00 0.00 175.22 177.69 1ydz s ASP 47 N -2.52 6.43 -0.06 1.36 2.15 -1.26 -4.89 116.67 117.88 1ydz s ASP 47 Ca 0.23 -0.08 0.19 0.00 0.43 0.00 0.00 52.55 53.33 1ydz s ASP 47 Cb -0.10 -2.41 0.66 0.00 -0.30 0.00 0.00 42.92 40.78 1ydz s ASP 47 CO 0.15 -0.98 1.57 0.18 -0.17 0.00 0.00 175.17 175.92 1ydz n LEU 48 N 6.89 4.32 -4.76 -1.34 4.77 -1.26 -4.36 117.00 121.27 1ydz n LEU 48 Ca 0.03 -2.26 -0.35 0.00 -0.03 0.00 0.00 56.01 53.41 1ydz n LEU 48 Cb 0.48 -0.52 0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1ydz n LEU 48 CO 0.61 0.88 0.79 -0.94 -1.33 0.00 0.00 177.39 177.39 1ydz s SER 49 N -0.98 5.07 -0.24 -1.43 1.04 -1.26 -4.86 113.70 111.04 1ydz s SER 49 Ca 0.48 2.23 -0.38 0.00 0.48 0.00 0.00 55.95 58.76 1ydz s SER 49 Cb 0.29 -2.58 -0.14 0.00 0.10 0.00 0.00 66.02 63.68 1ydz s SER 49 CO 0.27 -1.67 1.80 1.57 0.98 0.00 0.00 173.24 176.20 1ydz n HIS 50 N -1.99 2.11 -2.10 5.02 -0.00 -1.26 -0.73 115.22 116.27 1ydz n HIS 50 Ca 0.12 0.39 -0.03 0.00 0.46 0.00 0.00 57.72 58.66 1ydz n HIS 50 Cb 0.51 -2.52 -0.00 0.00 -0.12 0.00 0.00 29.99 27.86 1ydz n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ydz n GLY 51 N 4.37 0.31 3.73 1.57 0.00 -1.26 -4.99 105.19 108.92 1ydz n GLY 51 Ca 0.26 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1ydz n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ydz s SER 52 N -2.90 6.43 0.43 1.61 0.15 0.09 -4.88 113.70 114.63 1ydz s SER 52 Ca 0.01 2.85 0.24 0.00 0.70 0.00 0.00 55.95 59.74 1ydz s SER 52 Cb -0.00 -2.62 0.70 0.00 -1.71 0.00 0.00 66.02 62.39 1ydz s SER 52 CO 0.01 -0.90 1.73 0.00 1.20 0.00 0.00 173.24 175.27 1ydz h ALA 53 N 5.83 0.94 -0.16 5.45 0.00 -1.88 -1.21 119.26 128.24 1ydz h ALA 53 Ca -0.45 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 1ydz h ALA 53 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ydz h ALA 53 CO 0.87 0.24 -0.28 1.96 0.00 0.00 0.00 179.25 182.03 1ydz h GLN 54 N 0.00 0.47 -0.24 0.00 4.20 -1.90 -2.08 115.11 115.56 1ydz h GLN 54 Ca -0.00 -0.30 -0.04 0.00 0.06 0.00 0.00 58.65 58.38 1ydz h GLN 54 Cb 0.89 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 1ydz h GLN 54 CO 0.02 0.90 0.01 0.28 -0.67 0.00 0.00 178.83 179.38 1ydz h VAL 55 N 0.10 1.25 -0.37 -0.54 2.07 -1.70 0.13 116.25 117.18 1ydz h VAL 55 Ca 0.01 -0.85 -0.11 0.00 0.82 0.00 0.00 66.70 66.57 1ydz h VAL 55 Cb 0.87 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1ydz h VAL 55 CO 0.06 0.27 -0.20 0.11 0.02 0.00 0.00 177.57 177.83 1ydz h LYS 56 N 0.20 0.72 -0.34 1.57 1.57 -1.30 0.51 116.57 119.50 1ydz h LYS 56 Ca 0.07 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1ydz h LYS 56 Cb 0.38 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1ydz h LYS 56 CO 0.01 0.87 0.15 0.78 -0.57 0.00 0.00 179.45 180.69 1ydz h GLY 57 N 0.98 0.53 0.87 3.86 0.00 -1.26 -2.30 103.07 105.76 1ydz h GLY 57 Ca 0.09 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1ydz h GLY 57 CO 0.05 0.26 0.07 0.84 0.00 0.00 0.00 176.54 177.76 1ydz h HIS 58 N 0.40 0.34 -0.51 5.60 -0.00 -0.53 -2.92 115.15 117.53 1ydz h HIS 58 Ca 0.11 -0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.50 1ydz h HIS 58 Cb 0.15 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.43 1ydz h HIS 58 CO -0.01 0.41 0.34 0.78 -0.00 0.00 0.00 177.93 179.45 1ydz h GLY 59 N 0.18 0.60 0.90 5.26 0.00 0.16 -2.36 103.07 107.82 1ydz h GLY 59 Ca 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 1ydz h GLY 59 CO -0.00 0.16 0.09 1.70 0.00 0.00 0.00 176.54 178.49 1ydz h LYS 60 N 0.50 0.32 -0.90 4.80 3.64 -1.23 -1.17 116.57 122.54 1ydz h LYS 60 Ca 0.22 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 1ydz h LYS 60 Cb 0.23 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1ydz h LYS 60 CO -0.06 0.37 0.59 0.87 -2.27 0.00 0.00 179.45 178.95 1ydz h LYS 61 N 0.20 1.16 -0.14 1.90 1.57 -1.37 0.23 116.57 120.12 1ydz h LYS 61 Ca 0.07 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1ydz h LYS 61 Cb 0.16 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1ydz h LYS 61 CO -0.01 0.77 -0.11 0.28 -0.57 0.00 0.00 179.45 179.81 1ydz h VAL 62 N 1.19 1.33 -0.27 0.50 2.07 -1.45 -1.55 116.25 118.07 1ydz h VAL 62 Ca 0.34 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1ydz h VAL 62 Cb -0.09 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1ydz h VAL 62 CO -0.09 0.36 -0.15 0.00 0.02 0.00 0.00 177.57 177.71 1ydz h ALA 63 N 0.63 1.23 -0.51 1.67 0.00 -0.86 -2.38 119.26 119.04 1ydz h ALA 63 Ca 0.03 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.73 1ydz h ALA 63 Cb 0.61 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 1ydz h ALA 63 CO 0.03 0.50 0.18 -0.44 0.00 0.00 0.00 179.25 179.52 1ydz h ASP 64 N 0.43 0.19 -0.44 0.00 5.19 -0.75 0.10 116.42 121.14 1ydz h ASP 64 Ca 0.08 0.06 0.04 0.00 -0.62 0.00 0.00 57.03 56.59 1ydz h ASP 64 Cb 0.52 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.04 1ydz h ASP 64 CO 0.03 0.13 0.22 0.00 -3.12 0.00 0.00 179.24 176.50 1ydz h ALA 65 N 1.34 0.55 -0.44 3.45 0.00 -0.93 -0.70 119.26 122.54 1ydz h ALA 65 Ca 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1ydz h ALA 65 Cb 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1ydz h ALA 65 CO -0.25 -0.14 0.23 -0.07 0.00 0.00 0.00 179.25 179.02 1ydz h LEU 66 N 0.44 0.57 -1.24 0.00 3.38 -0.83 0.43 115.31 118.06 1ydz h LEU 66 Ca 0.19 -0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1ydz h LEU 66 Cb 0.10 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1ydz h LEU 66 CO -0.14 0.51 0.50 0.74 0.09 0.00 0.00 178.44 180.14 1ydz h THR 67 N 0.57 1.20 0.00 0.22 2.02 -0.38 0.73 112.91 117.28 1ydz h THR 67 Ca 0.15 -0.38 -0.19 0.00 0.77 0.00 0.00 66.41 66.77 1ydz h THR 67 Cb 0.09 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.56 1ydz h THR 67 CO -0.02 0.20 -0.86 -1.13 0.37 0.00 0.00 175.52 174.07 1ydz h ASN 68 N 1.04 0.08 0.44 4.18 -1.24 -0.29 -2.45 115.58 117.34 1ydz h ASN 68 Ca 0.28 -0.07 -0.17 0.00 0.71 0.00 0.00 56.30 57.05 1ydz h ASN 68 Cb -0.11 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 1ydz h ASN 68 CO -0.06 0.90 -0.73 0.00 -1.29 0.00 0.00 177.43 176.25 1ydz h ALA 69 N 1.09 0.68 -0.73 1.57 0.00 0.94 -1.77 119.26 121.04 1ydz h ALA 69 Ca -0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 1ydz h ALA 69 Cb 1.51 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 1ydz h ALA 69 CO 0.12 0.81 0.38 0.28 0.00 0.00 0.00 179.25 180.84 1ydz h VAL 70 N 0.16 1.23 0.00 0.00 2.07 0.55 -1.78 116.25 118.48 1ydz h VAL 70 Ca -0.03 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1ydz h VAL 70 Cb 1.30 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1ydz h VAL 70 CO 0.11 0.26 -0.02 0.00 0.02 0.00 0.00 177.57 177.94 1ydz h ALA 71 N 1.19 1.01 -0.37 1.67 0.00 -1.28 -3.15 119.26 118.34 1ydz h ALA 71 Ca 0.26 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.87 1ydz h ALA 71 Cb 0.07 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.59 1ydz h ALA 71 CO -0.04 0.03 -0.77 0.72 0.00 0.00 0.00 179.25 179.19 1ydz n HIS 72 N -3.13 1.30 -0.15 0.00 8.25 -0.68 -4.84 115.22 115.97 1ydz n HIS 72 Ca 0.00 -1.77 0.28 0.00 -0.26 0.00 0.00 57.72 55.97 1ydz n HIS 72 Cb 0.29 -0.27 0.71 0.00 1.12 0.00 0.00 29.99 31.84 1ydz n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1ydz h VAL 73 N 2.72 0.38 -0.02 1.59 3.04 -1.31 1.23 116.25 123.87 1ydz h VAL 73 Ca 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 1ydz h VAL 73 Cb 1.35 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 1ydz h VAL 73 CO 0.35 0.00 -0.03 0.47 -1.01 0.00 0.00 177.57 177.35 1ydz n ASP 74 N -3.94 2.44 -2.70 3.17 8.00 -1.26 -4.51 116.55 117.75 1ydz n ASP 74 Ca 0.18 -1.80 -0.06 0.00 0.71 0.00 0.00 54.79 53.82 1ydz n ASP 74 Cb 1.01 0.02 0.10 0.00 -0.02 0.00 0.00 41.12 42.24 1ydz n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ydz n ASP 75 N 0.88 -1.02 0.01 -2.24 2.03 0.41 -5.01 116.55 111.61 1ydz n ASP 75 Ca 0.15 -2.41 -0.10 0.00 0.52 0.00 0.00 54.79 52.95 1ydz n ASP 75 Cb 0.51 0.59 -0.04 0.00 -0.72 0.00 0.00 41.12 41.46 1ydz n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1ydz h MET 76 N 1.97 -0.15 -0.90 -0.67 2.86 -1.38 -0.66 114.93 116.00 1ydz h MET 76 Ca -0.28 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.50 1ydz h MET 76 Cb 1.28 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.90 1ydz h MET 76 CO 0.01 -0.10 0.58 -1.35 1.06 0.00 0.00 176.91 177.11 1ydz h PRO 77 N -0.15 0.75 0.00 -0.22 0.11 -1.95 0.55 132.00 131.09 1ydz h PRO 77 Ca 0.07 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.13 1ydz h PRO 77 Cb 0.25 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 1ydz h PRO 77 CO -0.18 0.50 -0.03 -0.91 -0.21 0.00 0.00 178.00 177.17 1ydz h ASN 78 N 0.77 0.00 -0.92 -2.05 2.35 -1.93 -1.72 115.58 112.08 1ydz h ASN 78 Ca 0.45 -0.97 0.03 0.00 -0.55 0.00 0.00 56.30 55.25 1ydz h ASN 78 Cb 0.62 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.94 1ydz h ASN 78 CO -0.21 1.00 0.60 0.00 -1.65 0.00 0.00 177.43 177.18 1ydz h ALA 79 N -0.03 1.40 -0.03 -0.83 0.00 -0.92 -1.83 119.26 117.01 1ydz h ALA 79 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ydz h ALA 79 Cb 0.99 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1ydz h ALA 79 CO -0.00 0.52 0.00 1.28 0.00 0.00 0.00 179.25 181.05 1ydz n LEU 80 N -4.43 1.77 -0.27 0.00 4.77 0.19 -4.40 117.00 114.63 1ydz n LEU 80 Ca 0.12 -0.61 0.05 0.00 -0.03 0.00 0.00 56.01 55.54 1ydz n LEU 80 Cb 0.08 -0.01 0.15 0.00 -2.33 0.00 0.00 43.42 41.31 1ydz n LEU 80 CO 0.35 0.30 0.78 -1.28 -1.33 0.00 0.00 177.39 176.21 1ydz h SER 81 N 2.74 -0.50 -0.27 -1.43 0.87 -0.41 -0.51 113.55 114.04 1ydz h SER 81 Ca 0.00 0.22 0.04 0.00 -1.23 0.00 0.00 61.79 60.82 1ydz h SER 81 Cb 0.58 0.41 -0.07 0.00 -0.44 0.00 0.00 62.40 62.89 1ydz h SER 81 CO 0.00 -0.23 -0.48 0.00 -0.53 0.00 0.00 176.83 175.59 1ydz h ALA 82 N 1.77 -0.76 -0.28 6.23 0.00 -1.78 -1.96 119.26 122.48 1ydz h ALA 82 Ca 0.42 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.24 1ydz h ALA 82 Cb 0.73 1.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1ydz h ALA 82 CO -0.75 -0.97 -0.13 1.25 0.00 0.00 0.00 179.25 178.65 1ydz h LEU 83 N -0.40 0.47 -0.69 0.00 5.85 -1.69 -2.95 115.31 115.90 1ydz h LEU 83 Ca 0.05 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1ydz h LEU 83 Cb 0.54 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1ydz h LEU 83 CO -0.47 0.63 0.28 -1.28 -0.34 0.00 0.00 178.44 177.27 1ydz h SER 84 N 0.45 0.94 -0.06 1.25 0.87 -0.76 -2.84 113.55 113.39 1ydz h SER 84 Ca 0.08 -0.16 0.01 0.00 -1.23 0.00 0.00 61.79 60.49 1ydz h SER 84 Cb 0.50 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.21 1ydz h SER 84 CO 0.03 0.85 0.01 0.44 -0.53 0.00 0.00 176.83 177.62 1ydz h ASP 85 N 0.97 -0.01 0.16 6.23 3.32 -1.19 -2.59 116.42 123.31 1ydz h ASP 85 Ca 0.23 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.30 1ydz h ASP 85 Cb 0.19 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1ydz h ASP 85 CO -0.02 0.01 -0.52 0.25 -1.72 0.00 0.00 179.24 177.24 1ydz h LEU 86 N 0.03 -1.55 -1.53 1.55 5.85 -1.41 0.23 115.31 118.48 1ydz h LEU 86 Ca 0.03 0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 1ydz h LEU 86 Cb 0.03 0.56 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1ydz h LEU 86 CO -0.04 -0.56 -0.22 0.45 -0.34 0.00 0.00 178.44 177.72 1ydz h HIS 87 N -0.77 0.00 0.11 1.25 3.86 -1.55 0.49 115.15 118.53 1ydz h HIS 87 Ca -0.01 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.86 1ydz h HIS 87 Cb 0.76 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 1ydz h HIS 87 CO -0.43 0.22 -1.81 0.00 0.86 0.00 0.00 177.93 176.77 1ydz h ALA 88 N 1.78 0.43 0.00 2.45 0.00 -1.32 -1.78 119.26 120.81 1ydz h ALA 88 Ca -0.00 -1.31 -0.15 0.00 0.00 0.00 0.00 54.91 53.44 1ydz h ALA 88 Cb 0.52 0.54 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1ydz h ALA 88 CO 0.03 1.29 -1.81 0.72 0.00 0.00 0.00 179.25 179.47 1ydz n HIS 89 N -3.41 0.00 -0.03 0.00 8.25 0.06 -4.54 115.22 115.54 1ydz n HIS 89 Ca -0.25 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.18 1ydz n HIS 89 Cb 1.05 -0.53 -0.01 0.00 1.12 0.00 0.00 29.99 31.62 1ydz n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1ydz n LYS 90 N -2.31 0.19 -0.21 -0.41 4.81 0.16 -4.74 118.16 115.65 1ydz n LYS 90 Ca -0.15 0.07 -0.04 0.00 -0.87 0.00 0.00 58.31 57.32 1ydz n LYS 90 Cb 0.73 -0.78 0.06 0.00 0.02 0.00 0.00 35.03 35.05 1ydz n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1ydz h LEU 91 N -0.35 0.58 -2.38 3.14 3.38 -1.59 -3.48 115.31 114.62 1ydz h LEU 91 Ca 0.00 0.01 -0.39 0.00 0.09 0.00 0.00 57.88 57.58 1ydz h LEU 91 Cb 0.35 -0.12 0.09 0.00 0.09 0.00 0.00 40.66 41.07 1ydz h LEU 91 CO 0.00 0.41 -0.87 0.54 0.09 0.00 0.00 178.44 178.60 1ydz n ARG 92 N -4.75 -3.17 -2.92 1.13 1.74 -0.69 -4.96 116.66 103.05 1ydz n ARG 92 Ca 0.06 0.61 -0.42 0.00 -0.77 0.00 0.00 57.85 57.33 1ydz n ARG 92 Cb 0.09 -4.95 -0.05 0.00 -1.02 0.00 0.00 32.46 26.53 1ydz n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ydz s VAL 93 N -3.56 4.76 0.18 1.55 1.01 -1.10 -5.02 120.40 118.23 1ydz s VAL 93 Ca 0.24 1.22 -0.33 0.00 0.00 0.00 0.00 61.98 63.11 1ydz s VAL 93 Cb -0.07 -4.18 -0.14 0.00 0.00 0.00 0.00 36.38 32.00 1ydz s VAL 93 CO 0.82 -0.28 1.47 -0.67 0.00 0.00 0.00 175.10 176.43 1ydz n ASP 94 N 6.28 2.74 -0.16 3.32 2.03 -1.26 -4.86 116.55 124.63 1ydz n ASP 94 Ca 0.04 1.11 0.23 0.00 0.52 0.00 0.00 54.79 56.70 1ydz n ASP 94 Cb 0.48 -1.39 0.64 0.00 -0.72 0.00 0.00 41.12 40.12 1ydz n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1ydz h PRO 95 N 5.01 0.15 -0.82 -0.67 0.11 -1.98 -2.21 132.00 131.60 1ydz h PRO 95 Ca -0.45 -0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.76 1ydz h PRO 95 Cb 1.27 -0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.27 1ydz h PRO 95 CO 0.82 0.10 0.46 -0.39 -0.21 0.00 0.00 178.00 178.77 1ydz h VAL 96 N 0.16 0.86 -0.76 3.15 -1.51 -2.02 -2.16 116.25 113.97 1ydz h VAL 96 Ca 0.40 -0.25 0.13 0.00 -1.23 0.00 0.00 66.70 65.75 1ydz h VAL 96 Cb 1.35 0.06 -0.05 0.00 -2.13 0.00 0.00 31.29 30.51 1ydz h VAL 96 CO -0.07 0.13 0.50 0.78 -1.23 0.00 0.00 177.57 177.69 1ydz h ASN 97 N 0.73 0.48 -0.61 4.19 4.21 -1.76 -2.13 115.58 120.69 1ydz h ASN 97 Ca 0.41 0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.92 1ydz h ASN 97 Cb 0.44 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.54 1ydz h ASN 97 CO -0.28 0.26 0.29 -0.26 -1.29 0.00 0.00 177.43 176.15 1ydz h PHE 98 N 0.52 0.89 0.00 1.19 0.04 -1.54 -1.71 116.94 116.33 1ydz h PHE 98 Ca 0.37 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 61.07 1ydz h PHE 98 Cb 0.71 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.58 1ydz h PHE 98 CO -0.00 0.68 -0.11 1.57 -0.60 0.00 0.00 178.31 179.85 1ydz h LYS 99 N 0.84 0.00 -0.11 1.51 2.10 -1.42 0.44 116.57 119.93 1ydz h LYS 99 Ca 0.21 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.73 1ydz h LYS 99 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1ydz h LYS 99 CO -0.03 0.11 -0.43 -0.07 -2.00 0.00 0.00 179.45 177.04 1ydz h LEU 100 N 0.00 0.57 -0.15 7.07 3.38 -1.17 -2.59 115.31 122.42 1ydz h LEU 100 Ca -0.00 -0.62 -0.23 0.00 0.09 0.00 0.00 57.88 57.12 1ydz h LEU 100 Cb 0.76 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1ydz h LEU 100 CO 0.01 1.10 -0.96 0.25 0.09 0.00 0.00 178.44 178.93 1ydz h LEU 101 N 0.09 0.53 -0.72 1.67 5.85 -1.27 -2.51 115.31 118.95 1ydz h LEU 101 Ca -0.02 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.25 1ydz h LEU 101 Cb 1.06 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1ydz h LEU 101 CO 0.09 1.24 0.39 0.28 -0.34 0.00 0.00 178.44 180.09 1ydz h SER 102 N 0.22 0.90 -0.24 1.25 0.02 -0.96 -0.43 113.55 114.31 1ydz h SER 102 Ca -0.08 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1ydz h SER 102 Cb 1.61 -0.23 -0.06 0.00 0.14 0.00 0.00 62.40 63.86 1ydz h SER 102 CO 0.17 0.74 -0.45 -0.74 -1.14 0.00 0.00 176.83 175.41 1ydz h HIS 103 N 0.99 -1.36 -0.10 3.45 -0.00 -1.33 0.33 115.15 117.13 1ydz h HIS 103 Ca 0.25 0.06 -0.06 0.00 -0.00 0.00 0.00 60.37 60.62 1ydz h HIS 103 Cb 0.05 0.62 -0.01 0.00 -0.00 0.00 0.00 27.41 28.07 1ydz h HIS 103 CO -0.00 -0.42 -0.21 0.00 -0.00 0.00 0.00 177.93 177.31 1ydz h LEU 105 N 0.15 0.95 -0.69 0.00 5.85 -0.28 0.02 115.31 121.30 1ydz h LEU 105 Ca 0.03 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.38 1ydz h LEU 105 Cb 0.46 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1ydz h LEU 105 CO 0.03 1.07 0.21 -0.07 -0.34 0.00 0.00 178.44 179.34 1ydz h LEU 106 N 0.85 1.01 -0.51 2.25 3.38 0.68 -2.80 115.31 120.16 1ydz h LEU 106 Ca 0.13 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1ydz h LEU 106 Cb 0.66 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1ydz h LEU 106 CO 0.05 0.95 0.14 0.58 0.09 0.00 0.00 178.44 180.24 1ydz h VAL 107 N 1.01 1.24 -0.13 1.22 2.07 -0.54 -3.02 116.25 118.10 1ydz h VAL 107 Ca 0.22 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1ydz h VAL 107 Cb 0.30 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1ydz h VAL 107 CO -0.01 0.30 0.02 0.74 0.02 0.00 0.00 177.57 178.65 1ydz h THR 108 N 0.70 1.22 -0.63 2.57 2.02 -0.87 -2.91 112.91 115.00 1ydz h THR 108 Ca 0.16 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1ydz h THR 108 Cb 0.31 1.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1ydz h THR 108 CO -0.00 0.20 0.35 -0.07 0.37 0.00 0.00 175.52 176.37 1ydz h LEU 109 N -0.00 0.77 -0.69 2.58 3.38 -1.56 -1.95 115.31 117.85 1ydz h LEU 109 Ca 0.04 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1ydz h LEU 109 Cb 0.29 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1ydz h LEU 109 CO 0.00 0.62 0.39 0.00 0.09 0.00 0.00 178.44 179.55 1ydz h ALA 110 N 1.51 0.92 0.00 1.53 0.00 -1.42 2.61 119.26 124.40 1ydz h ALA 110 Ca 0.22 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1ydz h ALA 110 Cb 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1ydz h ALA 110 CO -0.04 0.09 -0.04 0.00 0.00 0.00 0.00 179.25 179.27 1ydz n ALA 111 N -2.34 2.39 -0.03 0.00 0.00 -0.81 -3.75 120.51 115.96 1ydz n ALA 111 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 1ydz n ALA 111 Cb 0.16 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.10 1ydz n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ydz n HIS 112 N -1.68 0.00 -3.26 0.00 -0.00 -0.58 -4.81 115.22 104.88 1ydz n HIS 112 Ca 0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.53 1ydz n HIS 112 Cb 0.36 -0.35 -0.07 0.00 -0.00 0.00 0.00 29.99 29.94 1ydz n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1ydz n LEU 113 N -2.18 3.23 -0.16 2.41 4.77 0.87 -4.93 117.00 121.00 1ydz n LEU 113 Ca -0.10 -5.37 -0.07 0.00 -0.03 0.00 0.00 56.01 50.44 1ydz n LEU 113 Cb 0.63 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.38 1ydz n LEU 113 CO 0.17 2.15 1.08 1.55 -1.33 0.00 0.00 177.39 181.01 1ydz h PRO 114 N 3.79 0.64 0.02 3.23 0.13 -1.77 0.59 132.00 138.64 1ydz h PRO 114 Ca 0.16 -0.04 -0.21 0.00 -0.87 0.00 0.00 66.00 65.04 1ydz h PRO 114 Cb 0.67 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.64 1ydz h PRO 114 CO 0.76 0.43 -0.99 0.00 -0.23 0.00 0.00 178.00 177.97 1ydz h ALA 115 N 1.18 0.39 0.10 -0.56 0.00 -1.92 -3.31 119.26 115.13 1ydz h ALA 115 Ca 0.18 -0.85 -0.28 0.00 0.00 0.00 0.00 54.91 53.95 1ydz h ALA 115 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ydz h ALA 115 CO -0.04 1.12 -1.41 0.93 0.00 0.00 0.00 179.25 179.85 1ydz h GLU 116 N 0.03 0.20 -4.24 0.00 4.39 -1.93 -3.41 114.58 109.62 1ydz h GLU 116 Ca -0.03 -0.35 -0.55 0.00 0.34 0.00 0.00 59.36 58.77 1ydz h GLU 116 Cb 1.71 0.13 0.05 0.00 -0.10 0.00 0.00 28.75 30.53 1ydz h GLU 116 CO 0.14 1.08 2.24 0.34 -1.16 0.00 0.00 179.01 181.65 1ydz n PHE 117 N -3.43 1.51 -2.30 4.33 7.35 0.21 -4.75 117.46 120.38 1ydz n PHE 117 Ca -0.12 -1.68 -0.25 0.00 -0.76 0.00 0.00 57.45 54.63 1ydz n PHE 117 Cb 1.03 -1.57 0.07 0.00 0.35 0.00 0.00 39.48 39.36 1ydz n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ydz s THR 118 N 4.77 2.32 0.16 -2.13 -4.23 -1.26 -4.81 115.64 110.45 1ydz s THR 118 Ca 0.51 -0.35 -0.16 0.00 -1.18 0.00 0.00 61.69 60.51 1ydz s THR 118 Cb 0.13 -2.97 0.02 0.00 1.34 0.00 0.00 72.50 71.02 1ydz s THR 118 CO 0.09 0.00 1.75 -0.65 -0.54 0.00 0.00 174.62 175.28 1ydz h PRO 119 N -0.52 0.27 0.01 3.99 0.11 -1.98 0.41 132.00 134.29 1ydz h PRO 119 Ca -0.43 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.69 1ydz h PRO 119 Cb 1.31 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1ydz h PRO 119 CO 0.56 0.18 -0.22 0.00 -0.21 0.00 0.00 178.00 178.31 1ydz h ALA 120 N 1.23 -0.29 -0.20 -0.75 0.00 -1.95 0.35 119.26 117.64 1ydz h ALA 120 Ca 0.16 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ydz h ALA 120 Cb 0.14 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ydz h ALA 120 CO -0.16 -0.72 0.00 0.28 0.00 0.00 0.00 179.25 178.65 1ydz h VAL 121 N -0.35 1.25 -0.80 0.00 2.07 -1.81 0.32 116.25 116.92 1ydz h VAL 121 Ca 0.06 -0.86 0.17 0.00 0.82 0.00 0.00 66.70 66.89 1ydz h VAL 121 Cb 0.43 1.42 -0.10 0.00 -1.52 0.00 0.00 31.29 31.52 1ydz h VAL 121 CO -0.20 0.26 0.32 -0.74 0.02 0.00 0.00 177.57 177.24 1ydz h HIS 122 N 0.11 0.54 -0.21 1.57 6.17 -0.05 1.12 115.15 124.40 1ydz h HIS 122 Ca 0.06 0.04 -0.06 0.00 0.71 0.00 0.00 60.37 61.12 1ydz h HIS 122 Cb 0.39 -0.12 -0.01 0.00 2.52 0.00 0.00 27.41 30.19 1ydz h HIS 122 CO 0.03 0.03 -0.10 0.00 0.71 0.00 0.00 177.93 178.60 1ydz h ALA 123 N 1.60 0.29 -0.17 5.26 0.00 -0.73 0.09 119.26 125.60 1ydz h ALA 123 Ca 0.46 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1ydz h ALA 123 Cb 0.75 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1ydz h ALA 123 CO -0.45 0.13 -0.00 0.77 0.00 0.00 0.00 179.25 179.70 1ydz h SER 124 N 0.14 0.30 -0.61 0.00 0.02 0.23 -2.57 113.55 111.06 1ydz h SER 124 Ca 0.05 -0.32 0.08 0.00 -0.84 0.00 0.00 61.79 60.76 1ydz h SER 124 Cb 0.59 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.98 1ydz h SER 124 CO 0.03 0.54 0.27 -0.07 -1.14 0.00 0.00 176.83 176.46 1ydz h LEU 125 N 0.05 0.34 -1.00 5.07 3.38 0.11 -0.88 115.31 122.37 1ydz h LEU 125 Ca 0.05 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1ydz h LEU 125 Cb 0.39 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1ydz h LEU 125 CO 0.01 0.21 0.30 -0.78 0.09 0.00 0.00 178.44 178.27 1ydz h ASP 126 N 0.49 0.92 -0.68 -0.43 3.58 -0.80 -2.33 116.42 117.18 1ydz h ASP 126 Ca 0.29 -0.12 -0.06 0.00 0.42 0.00 0.00 57.03 57.56 1ydz h ASP 126 Cb 0.30 -0.24 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 1ydz h ASP 126 CO -0.25 0.81 0.18 0.11 -2.88 0.00 0.00 179.24 177.21 1ydz h LYS 127 N 1.00 1.09 0.53 0.28 1.57 -0.80 -2.38 116.57 117.85 1ydz h LYS 127 Ca 0.24 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1ydz h LYS 127 Cb 0.16 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.32 1ydz h LYS 127 CO -0.02 0.95 -0.26 0.35 -0.57 0.00 0.00 179.45 179.90 1ydz h PHE 128 N 1.04 -0.66 -0.62 -1.35 3.57 -0.67 0.46 116.94 118.69 1ydz h PHE 128 Ca 0.22 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 1ydz h PHE 128 Cb 0.35 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.28 1ydz h PHE 128 CO 0.03 -0.37 0.29 -0.07 -2.23 0.00 0.00 178.31 175.95 1ydz h LEU 129 N -0.81 0.80 -0.59 0.59 3.38 -1.57 1.04 115.31 118.15 1ydz h LEU 129 Ca -0.07 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.86 1ydz h LEU 129 Cb 0.59 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1ydz h LEU 129 CO 0.12 0.68 0.33 0.00 0.09 0.00 0.00 178.44 179.67 1ydz h ALA 130 N 1.44 0.78 -0.06 1.53 0.00 -1.27 0.92 119.26 122.60 1ydz h ALA 130 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1ydz h ALA 130 Cb 0.10 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1ydz h ALA 130 CO -0.03 0.02 -0.00 0.77 0.00 0.00 0.00 179.25 180.01 1ydz h SER 131 N 0.63 0.11 -0.87 0.00 0.02 0.17 -1.38 113.55 112.23 1ydz h SER 131 Ca 0.26 -0.33 0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1ydz h SER 131 Cb 0.12 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.58 1ydz h SER 131 CO -0.15 0.41 0.57 0.58 -1.14 0.00 0.00 176.83 177.11 1ydz h VAL 132 N -0.19 1.20 -0.76 2.27 2.07 0.16 -0.85 116.25 120.15 1ydz h VAL 132 Ca 0.02 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.21 1ydz h VAL 132 Cb 0.36 -0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.00 1ydz h VAL 132 CO 0.00 0.21 0.44 0.28 0.02 0.00 0.00 177.57 178.52 1ydz h SER 133 N 1.15 0.64 -0.87 0.57 0.02 0.99 -2.22 113.55 113.83 1ydz h SER 133 Ca 0.33 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.36 1ydz h SER 133 Cb -0.09 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.31 1ydz h SER 133 CO -0.09 0.40 0.55 0.74 -1.14 0.00 0.00 176.83 177.29 1ydz h THR 134 N 0.77 1.10 -0.19 -2.27 2.02 0.00 -2.41 112.91 111.93 1ydz h THR 134 Ca 0.35 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 1ydz h THR 134 Cb 0.25 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.62 1ydz h THR 134 CO -0.21 0.19 -0.09 0.58 0.37 0.00 0.00 175.52 176.36 1ydz h VAL 135 N 1.04 1.31 0.00 3.16 2.07 -1.09 -2.60 116.25 120.15 1ydz h VAL 135 Ca 0.36 -1.15 -0.00 0.00 0.82 0.00 0.00 66.70 66.73 1ydz h VAL 135 Cb 0.08 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1ydz h VAL 135 CO -0.14 0.34 -0.01 -0.07 0.02 0.00 0.00 177.57 177.72 1ydz h LEU 136 N 0.08 0.00 -1.34 2.57 3.38 -1.20 -2.37 115.31 116.44 1ydz h LEU 136 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ydz h LEU 136 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1ydz h LEU 136 CO 0.03 0.01 -0.05 0.41 0.09 0.00 0.00 178.44 178.92 1ydz n THR 137 N -3.46 0.00 -0.07 0.22 -1.04 -0.93 -4.45 114.28 104.55 1ydz n THR 137 Ca -0.03 -0.47 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1ydz n THR 137 Cb 0.09 1.23 0.29 0.00 -1.82 0.00 0.00 70.33 70.12 1ydz n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1ydz h SER 138 N 2.20 0.63 -0.46 8.00 4.64 -1.02 -3.07 113.55 124.47 1ydz h SER 138 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1ydz h SER 138 Cb 0.49 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1ydz h SER 138 CO 0.00 0.58 0.00 0.29 -0.87 0.00 0.00 176.83 176.83 1ydz n LYS 139 N -4.35 2.48 -0.31 4.77 5.02 -1.26 -4.30 118.16 120.21 1ydz n LYS 139 Ca 0.04 -1.83 0.03 0.00 -2.02 0.00 0.00 58.31 54.53 1ydz n LYS 139 Cb 0.16 -1.53 0.22 0.00 -0.02 0.00 0.00 35.03 33.86 1ydz n LYS 139 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1ydz h PHE 140 N 2.79 1.08 0.00 2.13 3.04 -1.83 -3.45 116.94 120.69 1ydz h PHE 140 Ca 0.00 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1ydz h PHE 140 Cb 0.85 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 39.00 1ydz h PHE 140 CO 0.42 0.59 0.00 2.89 -2.02 0.00 0.00 178.31 180.19