#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ibe s LEU 2 N 0.00 3.31 0.57 7.52 1.43 -1.26 -4.83 118.68 125.42 1ibe s LEU 2 Ca 0.00 -0.85 -0.05 0.00 -1.03 0.00 0.00 54.13 52.20 1ibe s LEU 2 Cb 0.00 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.66 1ibe s LEU 2 CO 0.00 -1.76 0.87 -0.94 0.23 0.00 0.00 176.35 174.75 1ibe s SER 3 N 4.64 5.71 0.28 2.29 1.04 -1.26 -4.86 113.70 121.54 1ibe s SER 3 Ca 0.43 0.72 -0.03 0.00 0.48 0.00 0.00 55.95 57.55 1ibe s SER 3 Cb -0.05 -1.78 0.40 0.00 0.10 0.00 0.00 66.02 64.69 1ibe s SER 3 CO 0.04 -0.97 1.93 0.00 0.98 0.00 0.00 173.24 175.22 1ibe h ALA 4 N -0.08 1.39 -0.56 5.32 0.00 -1.99 0.87 119.26 124.21 1ibe h ALA 4 Ca -0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.37 1ibe h ALA 4 Cb 1.25 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1ibe h ALA 4 CO 0.61 0.52 0.21 0.00 0.00 0.00 0.00 179.25 180.59 1ibe h ALA 5 N 1.45 0.73 -0.78 0.00 0.00 -1.96 0.22 119.26 118.92 1ibe h ALA 5 Ca 0.37 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1ibe h ALA 5 Cb -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1ibe h ALA 5 CO -0.11 0.36 0.29 -0.44 0.00 0.00 0.00 179.25 179.35 1ibe h ASP 6 N 0.78 1.10 -0.81 0.00 3.32 -1.46 -1.59 116.42 117.77 1ibe h ASP 6 Ca 0.19 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1ibe h ASP 6 Cb 0.22 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 1ibe h ASP 6 CO -0.01 0.99 0.34 0.11 -1.72 0.00 0.00 179.24 178.95 1ibe h LYS 7 N 1.15 1.20 -0.53 3.56 1.57 -0.39 -0.95 116.57 122.17 1ibe h LYS 7 Ca 0.26 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 1ibe h LYS 7 Cb 0.25 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1ibe h LYS 7 CO -0.02 0.95 0.09 1.15 -0.57 0.00 0.00 179.45 181.06 1ibe h THR 8 N 1.17 1.25 -0.57 -0.16 2.02 -0.38 -1.94 112.91 114.29 1ibe h THR 8 Ca 0.27 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 1ibe h THR 8 Cb 0.19 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 1ibe h THR 8 CO -0.03 0.34 0.25 0.78 0.37 0.00 0.00 175.52 177.23 1ibe h ASN 9 N 0.75 0.78 -0.41 4.18 -0.26 -0.92 -1.74 115.58 117.96 1ibe h ASN 9 Ca 0.16 -0.15 -0.03 0.00 -0.56 0.00 0.00 56.30 55.72 1ibe h ASN 9 Cb 0.39 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1ibe h ASN 9 CO 0.01 0.72 0.14 0.58 -1.06 0.00 0.00 177.43 177.81 1ibe h VAL 10 N 0.78 1.21 -0.69 2.81 2.07 -1.06 0.39 116.25 121.76 1ibe h VAL 10 Ca 0.19 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1ibe h VAL 10 Cb 0.17 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1ibe h VAL 10 CO -0.02 0.24 0.33 0.11 0.02 0.00 0.00 177.57 178.25 1ibe h LYS 11 N 0.51 1.00 -0.25 1.57 1.57 -1.27 0.52 116.57 120.24 1ibe h LYS 11 Ca 0.13 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1ibe h LYS 11 Cb 0.24 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1ibe h LYS 11 CO -0.01 0.80 0.08 0.00 -0.57 0.00 0.00 179.45 179.75 1ibe h ALA 12 N 1.16 0.32 -0.76 3.86 0.00 -1.17 -2.08 119.26 120.58 1ibe h ALA 12 Ca 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1ibe h ALA 12 Cb 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1ibe h ALA 12 CO -0.03 -0.06 0.42 0.00 0.00 0.00 0.00 179.25 179.58 1ibe h ALA 13 N 0.91 0.98 0.00 0.00 0.00 0.02 -2.86 119.26 118.31 1ibe h ALA 13 Ca 0.08 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ibe h ALA 13 Cb 0.22 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ibe h ALA 13 CO -0.00 0.49 -0.13 2.35 0.00 0.00 0.00 179.25 181.95 1ibe h TRP 14 N 1.06 0.00 -0.12 0.00 2.91 -0.81 -1.68 115.95 117.31 1ibe h TRP 14 Ca 0.27 0.00 -0.10 0.00 1.13 0.00 0.00 58.89 60.19 1ibe h TRP 14 Cb 0.03 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.67 1ibe h TRP 14 CO -0.00 0.13 -0.35 0.66 -1.03 0.00 0.00 178.44 177.85 1ibe h SER 15 N 0.00 0.24 0.84 2.65 4.64 -1.14 -2.04 113.55 118.74 1ibe h SER 15 Ca -0.00 -0.09 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 1ibe h SER 15 Cb 0.49 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1ibe h SER 15 CO 0.02 0.59 -0.77 0.11 -0.87 0.00 0.00 176.83 175.91 1ibe h LYS 16 N 0.20 0.00 -0.53 4.77 1.57 -1.23 -3.05 116.57 118.31 1ibe h LYS 16 Ca 0.02 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1ibe h LYS 16 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1ibe h LYS 16 CO 0.06 0.77 0.12 0.28 -0.57 0.00 0.00 179.45 180.10 1ibe h VAL 17 N 0.00 1.25 0.00 0.50 2.07 -1.30 -3.46 116.25 115.30 1ibe h VAL 17 Ca -0.01 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1ibe h VAL 17 Cb 1.39 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1ibe h VAL 17 CO 0.10 0.32 0.00 0.61 0.02 0.00 0.00 177.57 178.62 1ibe n GLY 18 N -0.59 2.75 0.13 2.17 0.00 -0.78 -1.04 105.19 107.83 1ibe n GLY 18 Ca 0.02 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.41 1ibe n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ibe n GLY 19 N 0.00 -0.67 1.06 -0.02 0.00 -1.26 -3.78 105.19 100.51 1ibe n GLY 19 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 46.02 45.99 1ibe n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ibe n HIS 20 N -0.42 0.49 -0.26 1.61 8.25 -0.21 -4.59 115.22 120.09 1ibe n HIS 20 Ca 0.09 -0.24 0.04 0.00 -0.26 0.00 0.00 57.72 57.35 1ibe n HIS 20 Cb 0.10 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.39 1ibe n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ibe h ALA 21 N 4.41 1.05 -0.24 -1.41 0.00 -1.72 0.83 119.26 122.18 1ibe h ALA 21 Ca 0.00 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1ibe h ALA 21 Cb 0.89 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1ibe h ALA 21 CO 0.00 -0.17 -0.38 0.78 0.00 0.00 0.00 179.25 179.48 1ibe h GLY 22 N 0.49 0.75 1.41 0.00 0.00 -1.81 0.37 103.07 104.28 1ibe h GLY 22 Ca 0.40 -0.85 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 1ibe h GLY 22 CO -0.37 0.76 -0.18 1.05 0.00 0.00 0.00 176.54 177.80 1ibe h GLU 23 N 0.40 0.69 -0.15 4.80 4.11 -1.65 0.07 114.58 122.86 1ibe h GLU 23 Ca 0.02 -0.25 -0.12 0.00 0.07 0.00 0.00 59.36 59.08 1ibe h GLU 23 Cb 0.98 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 1ibe h GLU 23 CO 0.09 0.83 -0.44 0.74 0.07 0.00 0.00 179.01 180.30 1ibe h PHE 24 N 0.62 0.41 -0.46 2.06 0.04 0.88 -1.86 116.94 118.63 1ibe h PHE 24 Ca 0.10 -0.12 -0.10 0.00 2.80 0.00 0.00 57.97 60.65 1ibe h PHE 24 Cb 0.65 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.69 1ibe h PHE 24 CO 0.03 0.73 -0.10 0.78 -0.60 0.00 0.00 178.31 179.14 1ibe h GLY 25 N 1.20 0.90 1.02 -1.45 0.00 0.57 -0.48 103.07 104.84 1ibe h GLY 25 Ca 0.02 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.59 1ibe h GLY 25 CO 0.07 0.63 0.03 0.00 0.00 0.00 0.00 176.54 177.28 1ibe h ALA 26 N 1.12 0.72 -0.52 3.60 0.00 -0.80 -1.90 119.26 121.48 1ibe h ALA 26 Ca 0.13 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1ibe h ALA 26 Cb 0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ibe h ALA 26 CO 0.04 0.51 -0.11 1.49 0.00 0.00 0.00 179.25 181.18 1ibe h GLU 27 N 0.80 0.97 -0.56 0.00 4.81 -1.07 -2.27 114.58 117.26 1ibe h GLU 27 Ca 0.16 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 1ibe h GLU 27 Cb 0.49 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1ibe h GLU 27 CO 0.02 1.02 0.27 0.00 -0.73 0.00 0.00 179.01 179.59 1ibe h ALA 28 N 1.00 0.73 -0.54 2.92 0.00 -0.94 -0.31 119.26 122.11 1ibe h ALA 28 Ca 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ibe h ALA 28 Cb 0.65 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ibe h ALA 28 CO 0.05 0.29 0.35 -0.07 0.00 0.00 0.00 179.25 179.86 1ibe h LEU 29 N 0.76 0.59 -0.45 0.00 3.38 -1.13 -1.11 115.31 117.36 1ibe h LEU 29 Ca 0.19 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1ibe h LEU 29 Cb 0.12 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1ibe h LEU 29 CO -0.02 0.42 0.16 -0.08 0.09 0.00 0.00 178.44 179.00 1ibe h GLU 30 N 0.70 0.32 -0.38 1.13 4.81 -1.04 0.39 114.58 120.51 1ibe h GLU 30 Ca 0.21 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1ibe h GLU 30 Cb -0.04 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 1ibe h GLU 30 CO -0.06 0.21 -0.02 0.00 -0.73 0.00 0.00 179.01 178.40 1ibe h ARG 31 N 0.33 0.61 -0.40 1.92 3.08 -0.85 -1.76 114.38 117.31 1ibe h ARG 31 Ca 0.21 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1ibe h ARG 31 Cb 0.21 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1ibe h ARG 31 CO -0.21 0.65 -0.08 1.98 -1.07 0.00 0.00 179.97 181.24 1ibe h MET 32 N 0.58 0.77 -0.14 0.04 4.05 -0.50 0.09 114.93 119.81 1ibe h MET 32 Ca 0.12 -0.28 -0.09 0.00 -0.28 0.00 0.00 59.70 59.16 1ibe h MET 32 Cb 0.40 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.14 1ibe h MET 32 CO 0.02 0.89 -0.31 0.74 0.23 0.00 0.00 176.91 178.48 1ibe h PHE 33 N 0.58 0.30 0.22 1.39 0.04 -0.00 0.26 116.94 119.73 1ibe h PHE 33 Ca 0.10 -0.07 -0.34 0.00 2.80 0.00 0.00 57.97 60.47 1ibe h PHE 33 Cb 0.60 -0.07 0.03 0.00 2.20 0.00 0.00 35.95 38.70 1ibe h PHE 33 CO 0.05 0.56 -1.55 -0.07 -0.60 0.00 0.00 178.31 176.70 1ibe h LEU 34 N 0.24 0.72 0.00 1.54 3.38 -1.31 -3.26 115.31 116.62 1ibe h LEU 34 Ca 0.03 -0.86 -0.22 0.00 0.09 0.00 0.00 57.88 56.93 1ibe h LEU 34 Cb 0.67 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1ibe h LEU 34 CO 0.05 1.69 -1.07 1.23 0.09 0.00 0.00 178.44 180.43 1ibe h GLY 35 N 0.52 0.00 -6.10 0.83 0.00 -0.92 -3.40 103.07 94.01 1ibe h GLY 35 Ca -0.27 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.49 1ibe h GLY 35 CO 0.24 0.00 -1.04 0.69 0.00 0.00 0.00 176.54 176.43 1ibe n PHE 36 N -3.32 -0.13 0.23 5.60 3.01 0.07 -5.00 117.46 117.91 1ibe n PHE 36 Ca -0.02 -3.57 0.18 0.00 1.01 0.00 0.00 57.45 55.05 1ibe n PHE 36 Cb 0.95 -0.25 0.81 0.00 -0.01 0.00 0.00 39.48 40.97 1ibe n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1ibe h PRO 37 N 4.34 0.00 -0.02 -1.08 0.14 -1.72 -0.94 132.00 132.73 1ibe h PRO 37 Ca 0.12 0.00 0.01 0.00 0.14 0.00 0.00 66.00 66.26 1ibe h PRO 37 Cb 0.87 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.01 1ibe h PRO 37 CO 0.47 0.00 0.02 1.79 0.14 0.00 0.00 178.00 180.42 1ibe h THR 38 N 0.00 0.66 0.00 1.56 1.35 -1.92 -2.03 112.91 112.53 1ibe h THR 38 Ca 0.08 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.92 1ibe h THR 38 Cb 0.78 0.99 -0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1ibe h THR 38 CO -0.00 0.00 -0.12 0.71 -0.25 0.00 0.00 175.52 175.86 1ibe h THR 39 N 0.00 0.65 0.00 6.82 1.35 -1.49 -2.95 112.91 117.29 1ibe h THR 39 Ca 0.01 -0.49 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 1ibe h THR 39 Cb 0.04 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1ibe h THR 39 CO -0.00 0.12 0.00 0.11 -0.25 0.00 0.00 175.52 175.50 1ibe h LYS 40 N 0.00 0.00 -0.33 4.72 1.57 -1.55 -3.04 116.57 117.94 1ibe h LYS 40 Ca -0.00 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.87 1ibe h LYS 40 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1ibe h LYS 40 CO 0.02 0.00 0.25 1.15 -0.57 0.00 0.00 179.45 180.30 1ibe h THR 41 N 0.00 0.75 -0.01 -0.16 2.02 -1.71 -1.99 112.91 111.82 1ibe h THR 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1ibe h THR 41 Cb 0.11 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1ibe h THR 41 CO 0.00 0.00 -0.18 -1.22 0.37 0.00 0.00 175.52 174.49 1ibe n TYR 42 N -4.31 0.00 -2.62 3.16 4.01 -1.15 -4.39 117.16 111.86 1ibe n TYR 42 Ca 0.05 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.59 1ibe n TYR 42 Cb 0.42 -0.11 0.01 0.00 -0.31 0.00 0.00 39.34 39.35 1ibe n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1ibe n PHE 43 N -0.54 2.50 0.17 -0.72 3.01 -0.75 -4.88 117.46 116.25 1ibe n PHE 43 Ca 0.14 -3.11 0.05 0.00 1.01 0.00 0.00 57.45 55.54 1ibe n PHE 43 Cb 0.34 -0.24 0.49 0.00 -0.01 0.00 0.00 39.48 40.06 1ibe n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1ibe h PRO 44 N 2.78 0.16 -0.08 -1.08 0.13 -1.77 -0.80 132.00 131.35 1ibe h PRO 44 Ca 0.14 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ibe h PRO 44 Cb 0.98 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1ibe h PRO 44 CO 0.71 0.22 0.00 -2.39 -0.23 0.00 0.00 178.00 176.31 1ibe n HIS 45 N -4.39 0.10 -4.07 1.56 1.44 -1.26 -4.83 115.22 103.76 1ibe n HIS 45 Ca -0.01 -0.05 -0.24 0.00 -2.01 0.00 0.00 57.72 55.41 1ibe n HIS 45 Cb 0.18 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.25 1ibe n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1ibe s PHE 46 N -1.90 3.20 -0.38 -1.40 0.40 -0.31 -5.05 117.98 112.54 1ibe s PHE 46 Ca 0.33 -0.03 -0.19 0.00 -0.60 0.00 0.00 56.93 56.44 1ibe s PHE 46 Cb 0.17 -1.50 0.01 0.00 0.51 0.00 0.00 43.02 42.21 1ibe s PHE 46 CO 0.27 0.51 0.55 0.34 0.70 0.00 0.00 175.22 177.60 1ibe s ASP 47 N -3.44 6.32 -0.04 1.36 2.15 -1.26 -4.90 116.67 116.87 1ibe s ASP 47 Ca 0.32 -0.14 0.22 0.00 0.43 0.00 0.00 52.55 53.38 1ibe s ASP 47 Cb -0.09 -2.28 0.68 0.00 -0.30 0.00 0.00 42.92 40.92 1ibe s ASP 47 CO 0.25 -0.57 1.58 0.18 -0.17 0.00 0.00 175.17 176.43 1ibe n LEU 48 N 5.89 4.25 -4.72 -1.34 4.32 -1.26 -4.36 117.00 119.77 1ibe n LEU 48 Ca -0.04 -2.14 -0.31 0.00 -0.02 0.00 0.00 56.01 53.50 1ibe n LEU 48 Cb 0.48 -0.52 0.12 0.00 -1.62 0.00 0.00 43.42 41.88 1ibe n LEU 48 CO 0.48 0.94 0.71 -0.94 -1.22 0.00 0.00 177.39 177.35 1ibe s SER 49 N -0.97 3.80 0.16 -1.43 1.04 -1.26 -4.84 113.70 110.21 1ibe s SER 49 Ca 0.50 2.06 -0.34 0.00 0.48 0.00 0.00 55.95 58.65 1ibe s SER 49 Cb 0.28 -2.55 -0.14 0.00 0.10 0.00 0.00 66.02 63.71 1ibe s SER 49 CO 0.31 -2.51 1.53 1.57 0.98 0.00 0.00 173.24 175.12 1ibe n HIS 50 N -3.68 2.18 -0.72 5.02 -0.00 -1.26 -1.26 115.22 115.50 1ibe n HIS 50 Ca 0.11 0.33 0.00 0.00 0.46 0.00 0.00 57.72 58.62 1ibe n HIS 50 Cb 0.52 -2.51 0.00 0.00 -0.12 0.00 0.00 29.99 27.88 1ibe n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ibe n GLY 51 N 3.17 0.85 3.70 1.57 0.00 -1.26 -5.00 105.19 108.21 1ibe n GLY 51 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1ibe n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ibe n SER 52 N 0.00 2.64 0.19 1.61 3.41 -0.39 -4.85 113.62 116.24 1ibe n SER 52 Ca 0.00 1.16 0.03 0.00 -0.26 0.00 0.00 58.87 59.80 1ibe n SER 52 Cb 0.00 -1.49 0.39 0.00 -0.26 0.00 0.00 64.21 62.85 1ibe n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ibe h ALA 53 N 2.33 1.43 -0.30 7.33 0.00 -1.91 -2.59 119.26 125.54 1ibe h ALA 53 Ca -0.47 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.08 1ibe h ALA 53 Cb 1.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1ibe h ALA 53 CO 0.61 0.42 -0.01 1.96 0.00 0.00 0.00 179.25 182.24 1ibe h GLN 54 N 0.00 0.54 -0.82 0.00 4.20 -1.89 0.16 115.11 117.31 1ibe h GLN 54 Ca -0.00 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 1ibe h GLN 54 Cb 0.61 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 1ibe h GLN 54 CO 0.04 0.69 0.35 0.28 -0.67 0.00 0.00 178.83 179.52 1ibe h VAL 55 N 0.33 1.26 -0.81 -0.54 2.07 -1.71 0.45 116.25 117.30 1ibe h VAL 55 Ca 0.08 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1ibe h VAL 55 Cb 0.45 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1ibe h VAL 55 CO 0.02 0.33 0.33 0.50 0.02 0.00 0.00 177.57 178.77 1ibe h LYS 56 N 1.18 1.21 -0.24 1.57 3.64 -1.45 0.43 116.57 122.92 1ibe h LYS 56 Ca 0.28 -0.21 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 1ibe h LYS 56 Cb 0.19 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1ibe h LYS 56 CO -0.03 0.97 -0.59 0.00 -2.27 0.00 0.00 179.45 177.53 1ibe h ALA 57 N 1.18 0.51 -0.11 5.00 0.00 -0.36 -1.78 119.26 123.71 1ibe h ALA 57 Ca 0.27 -0.53 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1ibe h ALA 57 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ibe h ALA 57 CO -0.02 0.69 -0.57 1.25 0.00 0.00 0.00 179.25 180.59 1ibe h HIS 58 N 0.58 0.42 -0.84 0.00 -0.00 0.38 -2.85 115.15 112.85 1ibe h HIS 58 Ca 0.00 -0.15 0.02 0.00 -0.00 0.00 0.00 60.37 60.24 1ibe h HIS 58 Cb 1.18 -0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 28.47 1ibe h HIS 58 CO 0.07 0.82 0.55 0.78 -0.00 0.00 0.00 177.93 180.15 1ibe h GLY 59 N 1.32 1.20 1.00 5.26 0.00 0.12 -0.70 103.07 111.27 1ibe h GLY 59 Ca 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 1ibe h GLY 59 CO 0.09 0.38 0.34 1.70 0.00 0.00 0.00 176.54 179.06 1ibe h LYS 60 N 1.09 0.92 -0.29 4.80 1.63 -1.23 -0.75 116.57 122.73 1ibe h LYS 60 Ca 0.32 -0.12 -0.02 0.00 -0.85 0.00 0.00 60.65 59.99 1ibe h LYS 60 Cb -0.05 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 1ibe h LYS 60 CO -0.10 0.71 0.09 0.87 -3.45 0.00 0.00 179.45 177.58 1ibe h LYS 61 N 0.90 0.44 -0.26 1.90 1.57 -1.22 0.21 116.57 120.11 1ibe h LYS 61 Ca 0.23 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1ibe h LYS 61 Cb 0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1ibe h LYS 61 CO -0.03 0.49 0.17 0.28 -0.57 0.00 0.00 179.45 179.79 1ibe h VAL 62 N 0.31 1.08 -0.30 0.50 2.07 -1.04 -1.23 116.25 117.63 1ibe h VAL 62 Ca 0.09 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1ibe h VAL 62 Cb 0.23 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1ibe h VAL 62 CO -0.00 0.08 0.14 1.23 0.02 0.00 0.00 177.57 179.03 1ibe h GLY 63 N 0.34 0.40 1.43 2.17 0.00 -0.88 -1.59 103.07 104.94 1ibe h GLY 63 Ca 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1ibe h GLY 63 CO -0.02 0.07 0.13 -0.55 0.00 0.00 0.00 176.54 176.17 1ibe h ASP 64 N 0.29 0.66 -0.08 0.19 3.32 -0.43 -2.01 116.42 118.38 1ibe h ASP 64 Ca 0.13 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1ibe h ASP 64 Cb 0.06 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 1ibe h ASP 64 CO -0.10 0.65 -0.27 0.00 -1.72 0.00 0.00 179.24 177.80 1ibe h ALA 65 N 1.44 1.03 -0.56 3.45 0.00 -0.68 0.92 119.26 124.86 1ibe h ALA 65 Ca 0.16 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1ibe h ALA 65 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ibe h ALA 65 CO -0.00 0.58 -0.08 -0.07 0.00 0.00 0.00 179.25 179.67 1ibe h LEU 66 N 0.46 1.04 -0.28 0.00 3.38 -0.97 -1.06 115.31 117.87 1ibe h LEU 66 Ca 0.06 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 1ibe h LEU 66 Cb 0.71 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1ibe h LEU 66 CO 0.05 1.13 0.01 0.74 0.09 0.00 0.00 178.44 180.47 1ibe h THR 67 N 0.93 1.25 -0.37 0.22 2.02 -1.26 0.04 112.91 115.74 1ibe h THR 67 Ca 0.15 -0.89 0.05 0.00 0.77 0.00 0.00 66.41 66.49 1ibe h THR 67 Cb 0.65 1.28 -0.05 0.00 -1.74 0.00 0.00 68.15 68.29 1ibe h THR 67 CO 0.04 0.29 0.10 0.25 0.37 0.00 0.00 175.52 176.57 1ibe h LEU 68 N 0.29 0.06 -0.63 2.58 5.85 -0.67 -2.57 115.31 120.23 1ibe h LEU 68 Ca 0.08 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1ibe h LEU 68 Cb 0.40 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1ibe h LEU 68 CO 0.01 0.07 0.39 0.00 -0.34 0.00 0.00 178.44 178.58 1ibe h ALA 69 N 1.26 0.81 -0.72 1.25 0.00 -0.84 -1.56 119.26 119.47 1ibe h ALA 69 Ca 0.18 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1ibe h ALA 69 Cb 0.18 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1ibe h ALA 69 CO -0.21 0.15 0.47 0.28 0.00 0.00 0.00 179.25 179.95 1ibe h VAL 70 N 0.78 1.05 0.00 0.00 2.07 -0.75 -0.29 116.25 119.11 1ibe h VAL 70 Ca 0.25 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1ibe h VAL 70 Cb -0.00 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1ibe h VAL 70 CO -0.09 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.25 1ibe n GLY 71 N -1.44 -1.41 2.55 2.17 0.00 -0.62 -3.91 105.19 102.54 1ibe n GLY 71 Ca 0.10 0.05 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 1ibe n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1ibe n HIS 72 N -2.22 2.07 0.25 1.61 8.25 -0.15 -4.90 115.22 120.13 1ibe n HIS 72 Ca 0.03 -2.69 0.13 0.00 -0.26 0.00 0.00 57.72 54.93 1ibe n HIS 72 Cb 0.29 -0.26 0.77 0.00 1.12 0.00 0.00 29.99 31.91 1ibe n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1ibe h LEU 73 N 2.69 0.00 -0.81 2.41 3.38 -1.60 0.14 115.31 121.51 1ibe h LEU 73 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1ibe h LEU 73 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1ibe h LEU 73 CO 0.58 0.00 0.00 0.44 0.09 0.00 0.00 178.44 179.55 1ibe h ASP 74 N 0.00 0.00 -1.22 -0.43 3.32 -1.90 -3.35 116.42 112.83 1ibe h ASP 74 Ca 0.03 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.66 1ibe h ASP 74 Cb 0.15 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 39.41 1ibe h ASP 74 CO -0.00 0.00 -0.86 -0.67 -1.72 0.00 0.00 179.24 175.99 1ibe n ASP 75 N -2.91 -1.08 -0.09 6.45 2.03 0.46 -4.97 116.55 116.44 1ibe n ASP 75 Ca 0.02 -2.93 -0.12 0.00 0.52 0.00 0.00 54.79 52.29 1ibe n ASP 75 Cb 0.37 0.35 0.01 0.00 -0.72 0.00 0.00 41.12 41.13 1ibe n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1ibe h LEU 76 N 4.04 0.91 -0.85 -2.67 3.38 -1.65 -2.95 115.31 115.53 1ibe h LEU 76 Ca -0.01 -0.42 0.16 0.00 0.09 0.00 0.00 57.88 57.70 1ibe h LEU 76 Cb 0.94 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 41.34 1ibe h LEU 76 CO 0.40 1.19 0.43 -0.65 0.09 0.00 0.00 178.44 179.90 1ibe h PRO 77 N 0.70 0.56 0.10 1.13 0.11 -1.93 0.14 132.00 132.82 1ibe h PRO 77 Ca 0.06 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 65.85 1ibe h PRO 77 Cb 0.96 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 31.97 1ibe h PRO 77 CO 0.09 0.37 -1.19 0.78 -0.21 0.00 0.00 178.00 177.84 1ibe h GLY 78 N 0.58 0.61 1.62 -0.55 0.00 -1.96 -1.97 103.07 101.39 1ibe h GLY 78 Ca 0.48 -1.26 -0.06 0.00 0.00 0.00 0.00 47.33 46.48 1ibe h GLY 78 CO -0.39 1.11 -0.10 0.00 0.00 0.00 0.00 176.54 177.16 1ibe h ALA 79 N 0.41 1.30 -0.46 3.60 0.00 -1.24 -3.16 119.26 119.73 1ibe h ALA 79 Ca -0.16 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ibe h ALA 79 Cb 1.87 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.53 1ibe h ALA 79 CO 0.22 0.47 0.00 1.28 0.00 0.00 0.00 179.25 181.22 1ibe n LEU 80 N -4.23 3.23 -0.24 0.00 4.77 0.46 -4.73 117.00 116.26 1ibe n LEU 80 Ca 0.01 -1.95 0.05 0.00 -0.03 0.00 0.00 56.01 54.09 1ibe n LEU 80 Cb 0.30 -0.30 0.17 0.00 -2.33 0.00 0.00 43.42 41.25 1ibe n LEU 80 CO 0.40 0.80 0.94 -1.28 -1.33 0.00 0.00 177.39 176.92 1ibe h SER 81 N 2.82 0.05 0.30 -1.43 0.87 -1.31 -0.49 113.55 114.36 1ibe h SER 81 Ca 0.00 0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 1ibe h SER 81 Cb 0.81 0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.93 1ibe h SER 81 CO 0.00 -0.01 -0.37 0.44 -0.53 0.00 0.00 176.83 176.36 1ibe h ASP 82 N 0.29 0.11 1.03 6.23 5.19 -1.85 -2.20 116.42 125.22 1ibe h ASP 82 Ca 0.40 -0.04 -0.10 0.00 -0.62 0.00 0.00 57.03 56.66 1ibe h ASP 82 Cb 0.65 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 1ibe h ASP 82 CO -0.47 0.48 -0.50 -0.07 -3.12 0.00 0.00 179.24 175.56 1ibe h LEU 83 N 0.10 0.00 -0.78 1.55 4.07 -1.46 -3.08 115.31 115.71 1ibe h LEU 83 Ca 0.01 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 1ibe h LEU 83 Cb 0.70 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.42 1ibe h LEU 83 CO 0.05 0.50 0.00 0.28 -1.08 0.00 0.00 178.44 178.19 1ibe h SER 84 N 0.00 0.89 0.01 -0.43 0.02 -0.73 -1.89 113.55 111.43 1ibe h SER 84 Ca -0.00 -0.23 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1ibe h SER 84 Cb 1.14 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1ibe h SER 84 CO 0.06 0.95 -0.01 0.78 -1.14 0.00 0.00 176.83 177.48 1ibe h ASN 85 N 0.85 -0.02 -0.14 3.07 2.35 -1.49 -1.62 115.58 118.58 1ibe h ASN 85 Ca 0.16 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1ibe h ASN 85 Cb 0.50 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 1ibe h ASN 85 CO 0.02 0.26 -0.05 0.25 -1.65 0.00 0.00 177.43 176.27 1ibe h LEU 86 N -0.29 -0.17 -0.33 1.61 5.85 -1.45 0.14 115.31 120.67 1ibe h LEU 86 Ca -0.00 0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.58 1ibe h LEU 86 Cb 0.28 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.42 1ibe h LEU 86 CO 0.00 -0.06 -0.56 0.45 -0.34 0.00 0.00 178.44 177.93 1ibe h HIS 87 N -0.02 1.03 0.15 1.25 3.86 -1.34 0.87 115.15 120.95 1ibe h HIS 87 Ca 0.07 -0.37 -0.01 0.00 -1.16 0.00 0.00 60.37 58.91 1ibe h HIS 87 Cb 0.13 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1ibe h HIS 87 CO -0.19 1.19 -0.07 0.00 0.86 0.00 0.00 177.93 179.71 1ibe h ALA 88 N 0.74 -0.20 0.00 2.45 0.00 -1.23 0.65 119.26 121.66 1ibe h ALA 88 Ca 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1ibe h ALA 88 Cb 1.16 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ibe h ALA 88 CO 0.12 -0.22 -0.14 0.45 0.00 0.00 0.00 179.25 179.46 1ibe h HIS 89 N -0.99 0.00 0.44 0.00 3.86 -0.84 -3.19 115.15 114.43 1ibe h HIS 89 Ca -0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1ibe h HIS 89 Cb 0.40 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1ibe h HIS 89 CO 0.06 0.34 -0.21 -0.22 0.86 0.00 0.00 177.93 178.76 1ibe h LYS 90 N -1.00 -0.57 0.00 2.45 3.64 -1.37 -3.37 116.57 116.35 1ibe h LYS 90 Ca -0.02 0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1ibe h LYS 90 Cb 0.39 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.33 1ibe h LYS 90 CO -0.01 -0.38 -0.42 -0.07 -2.27 0.00 0.00 179.45 176.30 1ibe h LEU 91 N -1.12 0.00 -1.80 5.20 3.38 0.68 -3.48 115.31 118.17 1ibe h LEU 91 Ca -0.06 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 57.47 1ibe h LEU 91 Cb 0.45 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.24 1ibe h LEU 91 CO 0.10 0.26 -0.84 0.54 0.09 0.00 0.00 178.44 178.58 1ibe n ARG 92 N -3.10 -4.58 -2.49 1.13 1.74 0.16 -4.90 116.66 104.63 1ibe n ARG 92 Ca 0.02 0.58 -0.43 0.00 -0.77 0.00 0.00 57.85 57.25 1ibe n ARG 92 Cb 0.64 -5.04 -0.02 0.00 -1.02 0.00 0.00 32.46 27.02 1ibe n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ibe s VAL 93 N -3.73 4.38 -0.06 1.55 1.01 -0.81 -4.96 120.40 117.79 1ibe s VAL 93 Ca 0.00 1.68 -0.34 0.00 0.00 0.00 0.00 61.98 63.32 1ibe s VAL 93 Cb -0.00 -4.08 -0.12 0.00 0.00 0.00 0.00 36.38 32.18 1ibe s VAL 93 CO 0.83 -0.12 1.87 -0.67 0.00 0.00 0.00 175.10 177.00 1ibe n ASP 94 N 6.28 3.49 -0.17 3.32 -0.08 -1.26 -4.85 116.55 123.28 1ibe n ASP 94 Ca 0.13 0.98 0.29 0.00 -1.51 0.00 0.00 54.79 54.68 1ibe n ASP 94 Cb 0.45 -1.39 0.72 0.00 2.34 0.00 0.00 41.12 43.24 1ibe n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ibe h PRO 95 N 9.06 0.00 0.00 -0.67 0.11 -2.00 0.03 132.00 138.53 1ibe h PRO 95 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1ibe h PRO 95 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ibe h PRO 95 CO 0.94 0.00 -0.06 -0.39 -0.21 0.00 0.00 178.00 178.29 1ibe h VAL 96 N 0.00 0.98 0.00 3.15 -1.51 -2.03 -1.90 116.25 114.95 1ibe h VAL 96 Ca 0.43 -0.20 -0.07 0.00 -1.23 0.00 0.00 66.70 65.64 1ibe h VAL 96 Cb 1.87 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 32.13 1ibe h VAL 96 CO -0.00 0.06 -0.31 0.78 -1.23 0.00 0.00 177.57 176.86 1ibe h ASN 97 N 0.00 0.00 -0.44 4.19 2.35 -1.34 -2.70 115.58 117.63 1ibe h ASN 97 Ca -0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1ibe h ASN 97 Cb 0.10 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1ibe h ASN 97 CO 0.01 0.31 0.05 -0.26 -1.65 0.00 0.00 177.43 175.89 1ibe h PHE 98 N 0.00 0.86 -0.78 1.19 -1.00 -1.49 -1.99 116.94 113.74 1ibe h PHE 98 Ca -0.00 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.67 1ibe h PHE 98 Cb 0.61 -0.24 -0.04 0.00 3.61 0.00 0.00 35.95 39.89 1ibe h PHE 98 CO 0.00 0.77 0.46 0.87 -1.61 0.00 0.00 178.31 178.80 1ibe h LYS 99 N 0.78 1.06 -0.21 1.51 1.57 -1.59 0.54 116.57 120.23 1ibe h LYS 99 Ca 0.16 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1ibe h LYS 99 Cb 0.39 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1ibe h LYS 99 CO 0.01 0.75 -0.15 -0.07 -0.57 0.00 0.00 179.45 179.42 1ibe h LEU 100 N 1.06 0.49 -0.71 2.94 3.38 -1.43 -1.32 115.31 119.72 1ibe h LEU 100 Ca 0.28 -0.45 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1ibe h LEU 100 Cb -0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1ibe h LEU 100 CO -0.05 0.84 0.04 0.25 0.09 0.00 0.00 178.44 179.61 1ibe h LEU 101 N 0.15 1.00 -0.47 1.67 5.85 -1.15 -2.04 115.31 120.32 1ibe h LEU 101 Ca 0.04 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.52 1ibe h LEU 101 Cb 0.68 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1ibe h LEU 101 CO 0.04 1.03 0.27 0.28 -0.34 0.00 0.00 178.44 179.72 1ibe h SER 102 N 0.96 0.44 -0.76 1.25 0.02 -0.71 0.13 113.55 114.87 1ibe h SER 102 Ca 0.18 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1ibe h SER 102 Cb 0.49 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.90 1ibe h SER 102 CO 0.02 0.31 0.49 -0.74 -1.14 0.00 0.00 176.83 175.78 1ibe h HIS 103 N 0.55 0.93 -0.03 3.45 -0.00 -1.11 -0.17 115.15 118.77 1ibe h HIS 103 Ca 0.19 0.02 -0.11 0.00 -0.00 0.00 0.00 60.37 60.47 1ibe h HIS 103 Cb 0.03 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.11 1ibe h HIS 103 CO -0.07 0.55 -0.51 0.00 -0.00 0.00 0.00 177.93 177.90 1ibe h LEU 105 N 0.07 0.94 -1.03 0.00 5.85 -0.31 -2.11 115.31 118.72 1ibe h LEU 105 Ca -0.00 -0.67 -0.04 0.00 0.84 0.00 0.00 57.88 58.01 1ibe h LEU 105 Cb 0.93 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1ibe h LEU 105 CO 0.07 1.46 0.18 -0.07 -0.34 0.00 0.00 178.44 179.75 1ibe h LEU 106 N 0.49 0.81 -0.72 2.25 3.38 -0.74 -1.21 115.31 119.57 1ibe h LEU 106 Ca -0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1ibe h LEU 106 Cb 1.51 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 1ibe h LEU 106 CO 0.18 0.76 0.38 0.28 0.09 0.00 0.00 178.44 180.13 1ibe h SER 107 N 0.85 0.91 -0.53 -0.43 0.02 -1.18 0.62 113.55 113.81 1ibe h SER 107 Ca 0.19 -0.11 -0.10 0.00 -0.84 0.00 0.00 61.79 60.93 1ibe h SER 107 Cb 0.25 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1ibe h SER 107 CO -0.01 0.76 -0.08 0.74 -1.14 0.00 0.00 176.83 177.11 1ibe h THR 108 N 1.00 1.27 -0.55 -2.27 2.02 -0.77 -1.81 112.91 111.79 1ibe h THR 108 Ca 0.25 -1.22 -0.11 0.00 0.77 0.00 0.00 66.41 66.11 1ibe h THR 108 Cb 0.06 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1ibe h THR 108 CO -0.04 0.43 -0.08 -0.07 0.37 0.00 0.00 175.52 176.13 1ibe h LEU 109 N 0.86 1.02 -1.01 2.58 3.38 -0.88 -2.52 115.31 118.73 1ibe h LEU 109 Ca 0.14 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1ibe h LEU 109 Cb 0.63 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1ibe h LEU 109 CO 0.04 1.12 0.52 0.00 0.09 0.00 0.00 178.44 180.21 1ibe h ALA 110 N 0.93 1.26 -0.23 1.53 0.00 -0.74 -0.24 119.26 121.77 1ibe h ALA 110 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ibe h ALA 110 Cb 0.65 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1ibe h ALA 110 CO 0.04 0.63 0.15 0.28 0.00 0.00 0.00 179.25 180.35 1ibe h VAL 111 N 1.22 1.08 0.00 0.00 2.07 -1.05 -3.25 116.25 116.31 1ibe h VAL 111 Ca 0.32 -0.16 -0.14 0.00 0.82 0.00 0.00 66.70 67.53 1ibe h VAL 111 Cb -0.03 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 1ibe h VAL 111 CO -0.06 0.07 -1.41 1.41 0.02 0.00 0.00 177.57 177.61 1ibe n HIS 112 N -4.91 0.92 -3.03 1.57 8.25 -0.98 -4.52 115.22 112.52 1ibe n HIS 112 Ca -0.03 0.30 -0.21 0.00 -0.26 0.00 0.00 57.72 57.52 1ibe n HIS 112 Cb 0.04 -1.05 -0.03 0.00 1.12 0.00 0.00 29.99 30.08 1ibe n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ibe n LEU 113 N -2.83 2.31 -0.09 2.41 4.77 -0.12 -4.94 117.00 118.51 1ibe n LEU 113 Ca -0.09 -5.15 0.09 0.00 -0.03 0.00 0.00 56.01 50.83 1ibe n LEU 113 Cb 0.80 0.21 0.45 0.00 -2.33 0.00 0.00 43.42 42.54 1ibe n LEU 113 CO 0.43 2.26 1.19 1.55 -1.33 0.00 0.00 177.39 181.48 1ibe h PRO 114 N 2.97 0.50 0.00 3.23 0.13 -1.75 0.06 132.00 137.14 1ibe h PRO 114 Ca 0.10 -0.03 -0.21 0.00 -0.87 0.00 0.00 66.00 65.00 1ibe h PRO 114 Cb 0.82 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 31.81 1ibe h PRO 114 CO 0.63 0.33 -1.01 -0.91 -0.23 0.00 0.00 178.00 176.80 1ibe h ASN 115 N 0.52 0.00 1.24 1.44 2.35 -1.92 -3.26 115.58 115.95 1ibe h ASN 115 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1ibe h ASN 115 Cb 0.36 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1ibe h ASN 115 CO -0.08 0.96 -0.59 0.44 -1.65 0.00 0.00 177.43 176.51 1ibe h ASP 116 N 0.00 0.00 -0.92 5.81 3.32 -1.84 -3.40 116.42 119.39 1ibe h ASP 116 Ca -0.03 -0.05 -0.74 0.00 0.02 0.00 0.00 57.03 56.23 1ibe h ASP 116 Cb 1.76 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 41.19 1ibe h ASP 116 CO 0.12 0.03 2.40 0.33 -1.72 0.00 0.00 179.24 180.40 1ibe n PHE 117 N -2.61 3.11 -1.97 4.55 7.35 -0.04 -4.83 117.46 123.02 1ibe n PHE 117 Ca 0.02 -2.85 -0.29 0.00 -0.76 0.00 0.00 57.45 53.57 1ibe n PHE 117 Cb 0.51 -2.14 0.05 0.00 0.35 0.00 0.00 39.48 38.25 1ibe n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ibe s THR 118 N 1.28 3.21 0.24 -2.13 -4.23 -1.26 -4.76 115.64 107.98 1ibe s THR 118 Ca 0.42 0.30 -0.06 0.00 -1.18 0.00 0.00 61.69 61.18 1ibe s THR 118 Cb 0.11 -3.37 0.20 0.00 1.34 0.00 0.00 72.50 70.78 1ibe s THR 118 CO -0.03 -0.48 1.82 -0.65 -0.54 0.00 0.00 174.62 174.75 1ibe h PRO 119 N -0.65 0.80 -0.34 3.99 0.11 -1.98 0.19 132.00 134.11 1ibe h PRO 119 Ca -0.45 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 1ibe h PRO 119 Cb 1.27 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ibe h PRO 119 CO 0.64 0.53 -0.40 0.00 -0.21 0.00 0.00 178.00 178.56 1ibe h ALA 120 N 1.42 0.51 -0.17 -0.75 0.00 -1.97 -0.94 119.26 117.36 1ibe h ALA 120 Ca 0.37 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1ibe h ALA 120 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1ibe h ALA 120 CO -0.21 0.62 -0.03 0.28 0.00 0.00 0.00 179.25 179.91 1ibe h VAL 121 N 0.67 1.28 -0.42 0.00 2.07 -1.75 -2.62 116.25 115.48 1ibe h VAL 121 Ca 0.05 -0.96 0.08 0.00 0.82 0.00 0.00 66.70 66.69 1ibe h VAL 121 Cb 0.99 1.58 -0.07 0.00 -1.52 0.00 0.00 31.29 32.27 1ibe h VAL 121 CO 0.10 0.28 -0.02 -0.74 0.02 0.00 0.00 177.57 177.21 1ibe h HIS 122 N 0.03 -0.06 -0.65 1.57 6.17 -0.58 -0.87 115.15 120.75 1ibe h HIS 122 Ca 0.04 0.03 0.02 0.00 0.71 0.00 0.00 60.37 61.17 1ibe h HIS 122 Cb 0.45 0.09 -0.04 0.00 2.52 0.00 0.00 27.41 30.43 1ibe h HIS 122 CO 0.05 -0.10 0.42 0.00 0.71 0.00 0.00 177.93 179.00 1ibe h ALA 123 N 1.38 0.84 -0.37 5.26 0.00 -1.03 -1.06 119.26 124.27 1ibe h ALA 123 Ca 0.21 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1ibe h ALA 123 Cb 0.30 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ibe h ALA 123 CO -0.36 0.21 -0.08 0.77 0.00 0.00 0.00 179.25 179.78 1ibe h SER 124 N 0.84 0.72 -0.34 0.00 0.02 -1.08 -2.47 113.55 111.23 1ibe h SER 124 Ca 0.25 -0.36 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 1ibe h SER 124 Cb -0.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 1ibe h SER 124 CO -0.08 0.91 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.45 1ibe h LEU 125 N 0.52 0.68 -0.48 5.07 3.38 -1.01 -1.04 115.31 122.42 1ibe h LEU 125 Ca 0.10 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1ibe h LEU 125 Cb 0.59 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1ibe h LEU 125 CO 0.04 0.76 0.06 -0.78 0.09 0.00 0.00 178.44 178.60 1ibe h ASP 126 N 0.67 0.78 -0.63 -0.43 3.58 -1.06 -0.69 116.42 118.65 1ibe h ASP 126 Ca 0.13 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.29 1ibe h ASP 126 Cb 0.43 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 1ibe h ASP 126 CO 0.02 0.86 0.33 0.11 -2.88 0.00 0.00 179.24 177.68 1ibe h LYS 127 N 0.68 0.88 0.35 0.28 1.57 -0.95 -0.51 116.57 118.88 1ibe h LYS 127 Ca 0.14 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1ibe h LYS 127 Cb 0.42 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1ibe h LYS 127 CO 0.01 0.68 -0.20 0.35 -0.57 0.00 0.00 179.45 179.72 1ibe h PHE 128 N 0.86 -0.53 -0.36 -1.35 3.57 -0.87 -0.30 116.94 117.96 1ibe h PHE 128 Ca 0.22 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1ibe h PHE 128 Cb 0.06 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1ibe h PHE 128 CO -0.01 -0.32 0.17 -0.07 -2.23 0.00 0.00 178.31 175.85 1ibe h LEU 129 N -0.53 0.44 -0.57 0.59 3.38 -0.98 -0.03 115.31 117.62 1ibe h LEU 129 Ca -0.04 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1ibe h LEU 129 Cb 0.43 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1ibe h LEU 129 CO 0.05 0.38 0.18 0.28 0.09 0.00 0.00 178.44 179.42 1ibe h SER 130 N 0.50 0.82 -0.50 -0.43 0.02 -0.90 -0.01 113.55 113.05 1ibe h SER 130 Ca 0.13 -0.20 -0.09 0.00 -0.84 0.00 0.00 61.79 60.78 1ibe h SER 130 Cb 0.06 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1ibe h SER 130 CO -0.02 0.80 -0.06 0.28 -1.14 0.00 0.00 176.83 176.70 1ibe h SER 131 N 0.79 0.92 -0.04 3.07 0.02 0.16 -1.82 113.55 116.65 1ibe h SER 131 Ca 0.18 -0.33 -0.00 0.00 -0.84 0.00 0.00 61.79 60.80 1ibe h SER 131 Cb 0.27 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 1ibe h SER 131 CO -0.01 1.03 0.02 0.58 -1.14 0.00 0.00 176.83 177.32 1ibe h VAL 132 N 0.78 1.14 -0.92 2.27 2.07 -1.01 -2.21 116.25 118.36 1ibe h VAL 132 Ca 0.13 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.33 1ibe h VAL 132 Cb 0.60 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 1ibe h VAL 132 CO 0.04 0.11 0.57 0.28 0.02 0.00 0.00 177.57 178.59 1ibe h SER 133 N -0.09 0.87 -0.56 0.57 0.02 -0.85 -2.25 113.55 111.27 1ibe h SER 133 Ca 0.01 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1ibe h SER 133 Cb 0.17 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1ibe h SER 133 CO -0.00 0.52 0.32 0.74 -1.14 0.00 0.00 176.83 177.27 1ibe h THR 134 N 0.98 1.18 -0.50 -2.27 2.02 -1.21 -2.57 112.91 110.53 1ibe h THR 134 Ca 0.43 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 67.12 1ibe h THR 134 Cb 0.30 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1ibe h THR 134 CO -0.21 0.19 0.08 0.58 0.37 0.00 0.00 175.52 176.52 1ibe h VAL 135 N 0.75 1.25 0.00 3.16 2.07 -0.87 -2.05 116.25 120.55 1ibe h VAL 135 Ca 0.20 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.78 1ibe h VAL 135 Cb 0.02 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1ibe h VAL 135 CO -0.03 0.33 0.00 -0.07 0.02 0.00 0.00 177.57 177.82 1ibe h LEU 136 N 0.71 0.00 -3.04 2.57 3.38 -1.26 -2.47 115.31 115.20 1ibe h LEU 136 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ibe h LEU 136 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1ibe h LEU 136 CO 0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.89 1ibe n THR 137 N -2.60 1.54 0.10 0.22 -2.24 -0.98 -4.28 114.28 106.03 1ibe n THR 137 Ca 0.01 -1.47 -0.04 0.00 -2.27 0.00 0.00 64.05 60.27 1ibe n THR 137 Cb 0.23 0.15 0.11 0.00 -2.10 0.00 0.00 70.33 68.72 1ibe n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ibe h SER 138 N 1.24 0.15 0.70 3.42 4.64 -0.88 -3.17 113.55 119.65 1ibe h SER 138 Ca 0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1ibe h SER 138 Cb 0.95 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1ibe h SER 138 CO 0.07 0.77 0.00 0.29 -0.87 0.00 0.00 176.83 177.09 1ibe n LYS 139 N -3.79 0.00 0.00 4.77 4.01 -1.26 -4.00 118.16 117.89 1ibe n LYS 139 Ca -0.02 0.15 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 1ibe n LYS 139 Cb 0.66 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.67 1ibe n LYS 139 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1ibe n TYR 140 N -1.51 0.00 0.04 2.13 4.01 -1.20 -4.87 117.16 115.76 1ibe n TYR 140 Ca 0.05 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.79 1ibe n TYR 140 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1ibe n TYR 140 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29