#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yce s ASP 2 N 0.00 5.13 0.16 6.12 1.47 -1.26 -4.98 116.67 123.31 1yce s ASP 2 Ca 0.00 0.74 0.04 0.00 1.18 0.00 0.00 52.55 54.51 1yce s ASP 2 Cb 0.00 -1.50 -0.05 0.00 -0.34 0.00 0.00 42.92 41.04 1yce s ASP 2 CO 0.00 -1.44 1.36 -0.03 0.68 0.00 0.00 175.17 175.73 1yce h MET 3 N -0.57 0.14 -0.61 2.11 1.85 -2.03 -2.36 114.93 113.45 1yce h MET 3 Ca -0.45 -0.16 -0.10 0.00 -0.61 0.00 0.00 59.70 58.38 1yce h MET 3 Cb 1.29 0.05 -0.02 0.00 0.43 0.00 0.00 31.60 33.35 1yce h MET 3 CO 0.62 0.95 -0.00 1.25 -0.40 0.00 0.00 176.91 179.34 1yce h LEU 4 N 0.07 1.06 -0.59 3.39 5.85 -1.99 -1.56 115.31 121.53 1yce h LEU 4 Ca -0.04 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 1yce h LEU 4 Cb 1.57 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 1yce h LEU 4 CO 0.13 1.11 0.24 0.15 -0.34 0.00 0.00 178.44 179.73 1yce h PHE 5 N 0.98 0.89 0.14 1.25 -0.00 -1.94 -0.86 116.94 117.40 1yce h PHE 5 Ca 0.17 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.97 58.07 1yce h PHE 5 Cb 0.56 -0.27 0.00 0.00 -0.00 0.00 0.00 35.95 36.25 1yce h PHE 5 CO 0.04 0.71 -0.07 0.00 -0.00 0.00 0.00 178.31 179.00 1yce h ALA 6 N 1.09 -0.18 -0.52 2.41 0.00 -1.10 -2.09 119.26 118.86 1yce h ALA 6 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 6 Cb 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1yce h ALA 6 CO -0.02 -0.60 0.30 0.87 0.00 0.00 0.00 179.25 179.80 1yce h LYS 7 N -0.19 0.71 -0.38 0.00 1.57 -1.28 -2.54 116.57 114.47 1yce h LYS 7 Ca -0.02 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1yce h LYS 7 Cb 0.14 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 1yce h LYS 7 CO 0.03 0.53 -0.08 1.15 -0.57 0.00 0.00 179.45 180.52 1yce h THR 8 N 0.69 0.64 -0.02 -0.16 2.02 -0.96 -0.07 112.91 115.06 1yce h THR 8 Ca 0.18 -0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.19 1yce h THR 8 Cb 0.02 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1yce h THR 8 CO -0.03 0.00 -0.75 -0.37 0.37 0.00 0.00 175.52 174.74 1yce h VAL 9 N 0.01 1.47 -0.35 3.16 -1.51 -1.25 -1.30 116.25 116.48 1yce h VAL 9 Ca 0.18 -2.39 -0.11 0.00 -1.23 0.00 0.00 66.70 63.15 1yce h VAL 9 Cb 0.27 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 1yce h VAL 9 CO -0.38 0.69 -0.22 0.58 -1.23 0.00 0.00 177.57 177.02 1yce h VAL 10 N 0.10 1.29 -0.32 7.19 2.07 -1.23 -2.25 116.25 123.09 1yce h VAL 10 Ca -0.02 -1.36 -0.17 0.00 0.82 0.00 0.00 66.70 65.97 1yce h VAL 10 Cb 1.32 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1yce h VAL 10 CO 0.11 0.45 -0.47 -0.07 0.02 0.00 0.00 177.57 177.60 1yce h LEU 11 N 0.54 0.93 -0.69 2.57 3.38 -1.00 -1.75 115.31 119.30 1yce h LEU 11 Ca 0.07 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.60 1yce h LEU 11 Cb 0.78 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1yce h LEU 11 CO 0.06 1.25 0.44 0.00 0.09 0.00 0.00 178.44 180.28 1yce h ALA 12 N 0.78 0.90 -0.46 1.53 0.00 -1.22 -1.57 119.26 119.22 1yce h ALA 12 Ca 0.04 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1yce h ALA 12 Cb 1.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1yce h ALA 12 CO 0.11 0.22 -0.03 0.00 0.00 0.00 0.00 179.25 179.54 1yce h ALA 13 N 1.29 1.08 -0.71 0.00 0.00 -1.36 -2.73 119.26 116.83 1yce h ALA 13 Ca 0.27 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1yce h ALA 13 Cb -0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1yce h ALA 13 CO -0.10 0.57 0.47 0.77 0.00 0.00 0.00 179.25 180.96 1yce h SER 14 N 0.72 0.83 -0.38 0.00 0.02 -0.94 -0.03 113.55 113.77 1yce h SER 14 Ca 0.13 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1yce h SER 14 Cb 0.49 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1yce h SER 14 CO 0.02 0.61 0.25 0.00 -1.14 0.00 0.00 176.83 176.57 1yce h ALA 15 N 1.25 0.48 -0.53 3.77 0.00 -1.11 -0.08 119.26 123.05 1yce h ALA 15 Ca 0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1yce h ALA 15 Cb -0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1yce h ALA 15 CO -0.06 -0.07 0.23 0.28 0.00 0.00 0.00 179.25 179.63 1yce h VAL 16 N 0.50 1.21 -0.66 0.00 2.07 -1.33 -2.59 116.25 115.45 1yce h VAL 16 Ca 0.14 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1yce h VAL 16 Cb -0.05 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1yce h VAL 16 CO -0.04 0.25 0.34 1.23 0.02 0.00 0.00 177.57 179.38 1yce h GLY 17 N 0.72 1.00 0.88 2.17 0.00 -0.81 -1.83 103.07 105.19 1yce h GLY 17 Ca 0.18 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 1yce h GLY 17 CO -0.02 0.45 0.03 0.00 0.00 0.00 0.00 176.54 177.00 1yce h ALA 18 N 1.16 0.08 -0.83 3.60 0.00 -0.93 -1.91 119.26 120.44 1yce h ALA 18 Ca 0.23 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1yce h ALA 18 Cb 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1yce h ALA 18 CO -0.03 -0.35 0.45 0.78 0.00 0.00 0.00 179.25 180.09 1yce h GLY 19 N -0.04 1.23 0.98 0.00 0.00 -1.39 -2.80 103.07 101.05 1yce h GLY 19 Ca 0.02 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1yce h GLY 19 CO -0.00 0.54 0.18 -0.84 0.00 0.00 0.00 176.54 176.42 1yce h THR 20 N 1.16 1.23 -0.80 4.70 2.02 -1.21 -2.85 112.91 117.15 1yce h THR 20 Ca 0.29 -0.74 0.11 0.00 0.77 0.00 0.00 66.41 66.84 1yce h THR 20 Cb 0.04 0.73 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 1yce h THR 20 CO -0.05 0.28 0.52 0.00 0.37 0.00 0.00 175.52 176.64 1yce h ALA 21 N 1.04 1.82 0.00 6.16 0.00 -1.08 -2.10 119.26 125.10 1yce h ALA 21 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yce h ALA 21 Cb 0.24 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1yce h ALA 21 CO -0.01 -0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.91 1yce n MET 22 N -4.51 0.06 0.27 0.00 2.81 -1.07 -2.42 117.12 112.25 1yce n MET 22 Ca 0.14 0.32 0.10 0.00 -1.81 0.00 0.00 57.70 56.45 1yce n MET 22 Cb 0.38 -1.61 0.72 0.00 -0.71 0.00 0.00 33.22 31.99 1yce n MET 22 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1yce h ILE 23 N 0.00 0.82 -0.40 2.02 2.04 -1.46 -2.19 117.51 118.34 1yce h ILE 23 Ca 0.00 -0.12 0.12 0.00 1.00 0.00 0.00 64.86 65.86 1yce h ILE 23 Cb 0.26 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1yce h ILE 23 CO 0.00 0.03 0.43 0.00 0.00 0.00 0.00 178.15 178.61 1yce h ALA 24 N 1.97 2.11 0.00 1.87 0.00 -1.69 -2.46 119.26 121.06 1yce h ALA 24 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yce h ALA 24 Cb 0.07 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1yce h ALA 24 CO 0.00 -0.63 0.05 0.41 0.00 0.00 0.00 179.25 179.08 1yce n GLY 25 N -1.49 -0.71 0.31 0.00 0.00 -0.82 -1.86 105.19 100.62 1yce n GLY 25 Ca 0.07 0.13 -0.04 0.00 0.00 0.00 0.00 46.02 46.18 1yce n GLY 25 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1yce h ILE 26 N 0.00 1.20 0.75 -0.61 2.04 -1.69 -3.24 117.51 115.97 1yce h ILE 26 Ca 0.00 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1yce h ILE 26 Cb 0.11 0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1yce h ILE 26 CO 0.00 0.20 -0.36 1.23 0.00 0.00 0.00 178.15 179.21 1yce h GLY 27 N 1.08 -1.06 0.43 5.37 0.00 -1.63 -2.53 103.07 104.73 1yce h GLY 27 Ca 0.29 0.39 0.15 0.00 0.00 0.00 0.00 47.33 48.16 1yce h GLY 27 CO -0.07 -0.38 0.60 -2.55 0.00 0.00 0.00 176.54 174.14 1yce h PRO 28 N -1.15 0.75 -0.65 4.80 0.11 -1.75 -1.59 132.00 132.51 1yce h PRO 28 Ca -0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.96 1yce h PRO 28 Cb 0.80 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.71 1yce h PRO 28 CO 0.17 0.49 0.41 0.78 -0.21 0.00 0.00 178.00 179.64 1yce h GLY 29 N 0.77 0.94 0.69 -0.55 0.00 -1.53 -0.04 103.07 103.34 1yce h GLY 29 Ca 0.49 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 1yce h GLY 29 CO -0.25 0.36 -0.18 -2.08 0.00 0.00 0.00 176.54 174.40 1yce h VAL 30 N 0.88 0.59 -0.40 4.60 2.07 -1.02 -2.81 116.25 120.17 1yce h VAL 30 Ca 0.24 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1yce h VAL 30 Cb -0.05 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1yce h VAL 30 CO -0.05 0.09 0.03 1.23 0.02 0.00 0.00 177.57 178.90 1yce h GLY 31 N -0.81 0.73 1.89 2.17 0.00 -1.28 -2.37 103.07 103.41 1yce h GLY 31 Ca -0.05 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 1yce h GLY 31 CO 0.08 0.47 -0.35 1.46 0.00 0.00 0.00 176.54 178.20 1yce h GLN 32 N 0.52 0.13 -0.33 4.80 4.20 -1.13 -2.22 115.11 121.08 1yce h GLN 32 Ca 0.12 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.63 1yce h GLN 32 Cb 0.42 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1yce h GLN 32 CO 0.01 0.47 -0.39 0.78 -0.67 0.00 0.00 178.83 179.04 1yce h GLY 33 N 1.12 0.87 0.70 3.46 0.00 -1.31 -1.19 103.07 106.72 1yce h GLY 33 Ca 0.01 -0.87 0.01 0.00 0.00 0.00 0.00 47.33 46.48 1yce h GLY 33 CO 0.05 0.79 -0.20 -1.82 0.00 0.00 0.00 176.54 175.36 1yce h TYR 34 N 0.65 -0.53 -0.93 5.60 3.20 -1.22 -1.33 116.97 122.41 1yce h TYR 34 Ca 0.05 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.04 1yce h TYR 34 Cb 0.95 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 39.36 1yce h TYR 34 CO 0.05 -0.30 0.60 0.00 -1.64 0.00 0.00 178.16 176.87 1yce h ALA 35 N 0.37 1.60 -0.61 1.82 0.00 -1.24 -1.18 119.26 120.02 1yce h ALA 35 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1yce h ALA 35 Cb 0.41 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1yce h ALA 35 CO -0.08 0.19 0.08 0.00 0.00 0.00 0.00 179.25 179.44 1yce h ALA 36 N 1.55 0.99 -0.42 0.00 0.00 -0.94 -1.65 119.26 118.78 1yce h ALA 36 Ca 0.44 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1yce h ALA 36 Cb 0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1yce h ALA 36 CO -0.20 0.64 0.13 0.78 0.00 0.00 0.00 179.25 180.59 1yce h GLY 37 N 1.03 0.71 1.27 0.00 0.00 -0.10 -1.63 103.07 104.35 1yce h GLY 37 Ca 0.19 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1yce h GLY 37 CO 0.01 0.40 0.18 0.50 0.00 0.00 0.00 176.54 177.64 1yce h LYS 38 N 0.54 0.92 -0.83 4.80 1.79 -1.21 -2.02 116.57 120.55 1yce h LYS 38 Ca 0.14 -0.18 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1yce h LYS 38 Cb 0.27 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 1yce h LYS 38 CO -0.00 0.79 0.40 0.00 -1.08 0.00 0.00 179.45 179.56 1yce h ALA 39 N 1.31 1.13 -0.21 3.86 0.00 -1.04 -1.48 119.26 122.82 1yce h ALA 39 Ca 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1yce h ALA 39 Cb 0.26 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1yce h ALA 39 CO -0.01 0.66 0.08 0.28 0.00 0.00 0.00 179.25 180.26 1yce h VAL 40 N 1.19 1.17 -0.03 0.00 2.07 -1.07 -1.24 116.25 118.34 1yce h VAL 40 Ca 0.29 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1yce h VAL 40 Cb 0.12 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1yce h VAL 40 CO -0.04 0.17 -0.06 -0.08 0.02 0.00 0.00 177.57 177.58 1yce h GLU 41 N 0.19 -0.09 -0.54 1.57 4.81 -1.26 -2.56 114.58 116.70 1yce h GLU 41 Ca 0.07 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1yce h GLU 41 Cb 0.18 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1yce h GLU 41 CO -0.01 -0.06 0.04 0.77 -0.73 0.00 0.00 179.01 179.02 1yce h SER 42 N -0.09 0.85 0.86 1.04 0.02 -1.26 -2.87 113.55 112.10 1yce h SER 42 Ca 0.04 -0.20 -0.11 0.00 -0.84 0.00 0.00 61.79 60.68 1yce h SER 42 Cb 0.14 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1yce h SER 42 CO -0.08 0.89 -0.52 -0.37 -1.14 0.00 0.00 176.83 175.61 1yce h VAL 43 N 0.83 1.12 0.05 2.27 -1.51 -1.03 0.30 116.25 118.28 1yce h VAL 43 Ca 0.16 -1.95 -0.00 0.00 -1.23 0.00 0.00 66.70 63.68 1yce h VAL 43 Cb 0.44 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.73 1yce h VAL 43 CO 0.02 0.51 -0.03 0.00 -1.23 0.00 0.00 177.57 176.84 1yce h ALA 44 N 1.48 -0.07 -0.64 5.19 0.00 -1.42 -2.05 119.26 121.74 1yce h ALA 44 Ca -0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1yce h ALA 44 Cb 1.09 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1yce h ALA 44 CO 0.07 -0.38 0.05 -0.09 0.00 0.00 0.00 179.25 178.89 1yce h ARG 45 N -0.40 1.10 -2.12 0.00 2.43 -1.46 -3.37 114.38 110.56 1yce h ARG 45 Ca -0.01 -0.33 -0.53 0.00 -0.81 0.00 0.00 59.98 58.31 1yce h ARG 45 Cb 0.35 -0.11 -0.41 0.00 -0.42 0.00 0.00 29.97 29.38 1yce h ARG 45 CO 0.01 1.04 -0.96 1.04 -1.51 0.00 0.00 179.97 179.60 1yce n GLN 46 N -4.19 1.93 -0.24 0.20 6.02 0.09 -4.95 117.38 116.24 1yce n GLN 46 Ca 0.04 -4.01 0.26 0.00 -0.01 0.00 0.00 57.00 53.28 1yce n GLN 46 Cb 0.33 -1.93 0.65 0.00 1.02 0.00 0.00 30.24 30.31 1yce n GLN 46 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1yce h PRO 47 N 3.04 0.15 0.00 -1.09 0.13 -1.55 0.20 132.00 132.87 1yce h PRO 47 Ca 0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1yce h PRO 47 Cb 0.77 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.86 1yce h PRO 47 CO 0.64 0.10 0.00 0.39 -0.23 0.00 0.00 178.00 178.90 1yce n GLU 48 N -4.37 0.10 -0.09 0.86 4.71 -1.26 -2.34 120.64 118.25 1yce n GLU 48 Ca 0.21 0.33 0.12 0.00 -0.01 0.00 0.00 57.16 57.81 1yce n GLU 48 Cb 0.93 -1.69 0.26 0.00 -1.01 0.00 0.00 31.44 29.93 1yce n GLU 48 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1yce n ALA 49 N -1.64 2.47 -0.34 0.62 0.00 0.69 -4.62 120.51 117.70 1yce n ALA 49 Ca 0.03 -0.74 0.06 0.00 0.00 0.00 0.00 53.44 52.78 1yce n ALA 49 Cb 0.20 -0.94 0.15 0.00 0.00 0.00 0.00 19.45 18.86 1yce n ALA 49 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1yce h LYS 50 N 3.77 0.00 -0.62 0.00 3.64 -1.55 -2.05 116.57 119.77 1yce h LYS 50 Ca 0.00 -0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1yce h LYS 50 Cb 0.82 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.54 1yce h LYS 50 CO 0.00 0.00 -0.56 0.78 -2.27 0.00 0.00 179.45 177.40 1yce h GLY 51 N 0.00 -0.92 2.00 5.01 0.00 -1.87 -1.69 103.07 105.61 1yce h GLY 51 Ca 0.47 0.74 -0.11 0.00 0.00 0.00 0.00 47.33 48.43 1yce h GLY 51 CO -0.96 -0.06 -0.51 -0.55 0.00 0.00 0.00 176.54 174.45 1yce h ASP 52 N -0.26 0.00 0.40 0.19 3.32 -1.82 -2.70 116.42 115.56 1yce h ASP 52 Ca 0.11 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.14 1yce h ASP 52 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1yce h ASP 52 CO -0.72 0.51 -0.19 0.40 -1.72 0.00 0.00 179.24 177.52 1yce h ILE 53 N 0.00 0.60 -0.35 0.35 2.04 -0.91 -2.07 117.51 117.18 1yce h ILE 53 Ca -0.01 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.48 1yce h ILE 53 Cb 0.94 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1yce h ILE 53 CO 0.07 0.04 -0.41 0.40 0.00 0.00 0.00 178.15 178.25 1yce h ILE 54 N -0.66 1.28 -0.53 -0.67 2.04 -1.39 -0.26 117.51 117.31 1yce h ILE 54 Ca -0.06 -1.59 -0.12 0.00 1.00 0.00 0.00 64.86 64.10 1yce h ILE 54 Cb 0.48 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1yce h ILE 54 CO 0.09 0.53 -0.12 0.77 0.00 0.00 0.00 178.15 179.41 1yce h SER 55 N 0.70 1.03 -0.56 1.72 4.64 -1.57 -1.49 113.55 118.02 1yce h SER 55 Ca 0.05 -0.35 -0.10 0.00 -0.47 0.00 0.00 61.79 60.93 1yce h SER 55 Cb 0.99 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 1yce h SER 55 CO 0.10 1.14 -0.04 0.74 -0.87 0.00 0.00 176.83 177.90 1yce h THR 56 N 0.90 1.27 -0.13 2.95 2.02 -1.30 -2.10 112.91 116.52 1yce h THR 56 Ca 0.14 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1yce h THR 56 Cb 0.69 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1yce h THR 56 CO 0.05 0.42 0.08 -0.03 0.37 0.00 0.00 175.52 176.41 1yce h MET 57 N 0.89 0.17 -0.57 6.66 -1.53 -0.83 -1.92 114.93 117.79 1yce h MET 57 Ca 0.15 -0.01 -0.06 0.00 -3.44 0.00 0.00 59.70 56.34 1yce h MET 57 Cb 0.59 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.58 1yce h MET 57 CO 0.04 0.12 0.11 0.28 0.14 0.00 0.00 176.91 177.60 1yce h VAL 58 N 0.16 1.25 -0.04 -5.77 2.07 -1.25 -0.13 116.25 112.54 1yce h VAL 58 Ca 0.05 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1yce h VAL 58 Cb -0.01 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1yce h VAL 58 CO -0.01 0.35 0.02 0.25 0.02 0.00 0.00 177.57 178.20 1yce h LEU 59 N 0.84 0.05 -0.66 2.57 6.46 -1.25 -0.57 115.31 122.74 1yce h LEU 59 Ca 0.18 -0.03 -0.12 0.00 -0.12 0.00 0.00 57.88 57.78 1yce h LEU 59 Cb 0.40 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1yce h LEU 59 CO 0.01 0.07 -0.28 1.23 -0.62 0.00 0.00 178.44 178.85 1yce h GLY 60 N 0.02 0.81 1.08 3.75 0.00 -1.28 -2.47 103.07 104.98 1yce h GLY 60 Ca 0.01 -0.73 -0.08 0.00 0.00 0.00 0.00 47.33 46.54 1yce h GLY 60 CO -0.00 0.66 0.13 1.46 0.00 0.00 0.00 176.54 178.79 1yce h GLN 61 N 0.64 1.13 -0.46 4.80 4.20 -0.99 -2.62 115.11 121.81 1yce h GLN 61 Ca 0.08 -0.29 0.04 0.00 0.06 0.00 0.00 58.65 58.54 1yce h GLN 61 Cb 0.79 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 1yce h GLN 61 CO 0.07 1.02 0.21 0.00 -0.67 0.00 0.00 178.83 179.46 1yce h ALA 62 N 1.07 0.57 -0.56 3.87 0.00 -0.82 -1.70 119.26 121.69 1yce h ALA 62 Ca 0.21 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1yce h ALA 62 Cb 0.43 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1yce h ALA 62 CO 0.01 -0.15 0.36 0.28 0.00 0.00 0.00 179.25 179.75 1yce h VAL 63 N 0.43 1.12 0.00 0.00 2.07 -1.39 -2.17 116.25 116.30 1yce h VAL 63 Ca 0.20 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1yce h VAL 63 Cb 0.13 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1yce h VAL 63 CO -0.16 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.57 1yce h ALA 64 N 1.21 1.00 0.00 1.67 0.00 -1.03 -2.85 119.26 119.26 1yce h ALA 64 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1yce h ALA 64 Cb -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1yce h ALA 64 CO -0.06 0.00 -0.40 1.49 0.00 0.00 0.00 179.25 180.28 1yce h GLU 65 N 0.00 0.00 -0.93 0.00 4.57 -0.64 -3.40 114.58 114.17 1yce h GLU 65 Ca 0.00 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.30 1yce h GLU 65 Cb 0.16 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.67 1yce h GLU 65 CO 0.00 0.40 0.56 0.66 -1.18 0.00 0.00 179.01 179.45 1yce h SER 66 N 0.00 0.81 1.06 1.04 4.64 -1.56 -1.00 113.55 118.54 1yce h SER 66 Ca -0.00 0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.30 1yce h SER 66 Cb 1.19 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1yce h SER 66 CO 0.05 0.43 -0.33 0.71 -0.87 0.00 0.00 176.83 176.82 1yce h THR 67 N 0.89 0.71 -0.40 2.95 1.35 -1.83 -0.97 112.91 115.61 1yce h THR 67 Ca 0.46 -1.49 -0.13 0.00 -0.55 0.00 0.00 66.41 64.70 1yce h THR 67 Cb 0.47 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1yce h THR 67 CO -0.27 0.32 -0.28 1.23 -0.25 0.00 0.00 175.52 176.27 1yce h GLY 68 N 2.46 0.92 1.01 5.82 0.00 -1.47 -2.64 103.07 109.16 1yce h GLY 68 Ca -0.00 -0.84 -0.09 0.00 0.00 0.00 0.00 47.33 46.40 1yce h GLY 68 CO 0.04 0.76 -0.04 -2.22 0.00 0.00 0.00 176.54 175.09 1yce h ILE 69 N 0.72 1.27 -0.24 2.60 1.08 -1.06 -2.36 117.51 119.52 1yce h ILE 69 Ca 0.09 -1.12 0.01 0.00 -0.39 0.00 0.00 64.86 63.45 1yce h ILE 69 Cb 0.82 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.60 1yce h ILE 69 CO 0.07 0.39 0.12 1.88 -0.69 0.00 0.00 178.15 179.92 1yce h TYR 70 N 0.71 0.23 -0.35 1.37 0.05 -1.14 0.70 116.97 118.53 1yce h TYR 70 Ca 0.13 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.95 1yce h TYR 70 Cb 0.56 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.20 1yce h TYR 70 CO 0.04 0.13 0.16 0.77 -1.05 0.00 0.00 178.16 178.22 1yce h SER 71 N 0.26 0.23 -0.99 3.88 0.02 -1.49 -1.50 113.55 113.96 1yce h SER 71 Ca 0.10 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1yce h SER 71 Cb 0.02 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 1yce h SER 71 CO -0.06 0.18 0.65 0.25 -1.14 0.00 0.00 176.83 176.70 1yce h LEU 72 N 0.34 1.05 -0.33 5.07 5.85 -0.86 0.13 115.31 126.57 1yce h LEU 72 Ca 0.15 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1yce h LEU 72 Cb 0.07 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1yce h LEU 72 CO -0.11 0.69 -0.07 0.58 -0.34 0.00 0.00 178.44 179.19 1yce h VAL 73 N 1.20 1.28 -0.56 1.05 2.07 -0.43 -1.32 116.25 119.53 1yce h VAL 73 Ca 0.42 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1yce h VAL 73 Cb 0.11 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1yce h VAL 73 CO -0.15 0.36 0.35 0.40 0.02 0.00 0.00 177.57 178.55 1yce h ILE 74 N 0.41 1.16 -0.63 4.57 1.08 -0.75 -0.67 117.51 122.68 1yce h ILE 74 Ca 0.08 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1yce h ILE 74 Cb 0.56 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 1yce h ILE 74 CO 0.03 0.16 0.41 0.00 -0.69 0.00 0.00 178.15 178.06 1yce h ALA 75 N 1.18 0.81 0.00 1.87 0.00 -0.85 -1.85 119.26 120.42 1yce h ALA 75 Ca 0.20 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1yce h ALA 75 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1yce h ALA 75 CO -0.04 0.25 -0.50 -0.07 0.00 0.00 0.00 179.25 178.89 1yce h LEU 76 N 0.86 0.00 0.16 0.00 3.38 -0.89 -1.62 115.31 117.21 1yce h LEU 76 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1yce h LEU 76 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1yce h LEU 76 CO -0.05 0.50 -0.08 0.40 0.09 0.00 0.00 178.44 179.30 1yce h ILE 77 N 0.00 0.95 -0.86 1.22 2.04 -0.92 -0.33 117.51 119.61 1yce h ILE 77 Ca -0.00 -0.59 0.09 0.00 1.00 0.00 0.00 64.86 65.35 1yce h ILE 77 Cb 1.00 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 1yce h ILE 77 CO 0.06 0.14 0.56 -0.07 0.00 0.00 0.00 178.15 178.84 1yce h LEU 78 N -0.51 0.79 0.16 1.44 3.38 -1.17 0.22 115.31 119.63 1yce h LEU 78 Ca -0.02 0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1yce h LEU 78 Cb 0.39 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.00 1yce h LEU 78 CO 0.04 0.48 -1.50 -0.07 0.09 0.00 0.00 178.44 177.48 1yce h LEU 79 N 0.88 0.54 0.00 1.67 3.38 -1.30 -3.39 115.31 117.10 1yce h LEU 79 Ca 0.39 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1yce h LEU 79 Cb 0.35 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1yce h LEU 79 CO -0.16 1.55 -0.72 -1.22 0.09 0.00 0.00 178.44 177.99 1yce n TYR 80 N -3.55 0.00 -2.88 1.13 4.02 -0.14 -4.74 117.16 111.00 1yce n TYR 80 Ca -0.16 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.59 1yce n TYR 80 Cb 1.06 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.37 1yce n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yce n ALA 81 N -1.37 2.91 -1.95 -0.72 0.00 0.01 -5.02 120.51 114.37 1yce n ALA 81 Ca -0.00 -3.31 -0.42 0.00 0.00 0.00 0.00 53.44 49.71 1yce n ALA 81 Cb 0.02 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 1yce n ALA 81 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1yce s ASN 82 N -2.86 6.62 0.02 0.00 3.84 -0.83 -4.68 114.94 117.06 1yce s ASN 82 Ca 0.33 2.30 0.28 0.00 0.21 0.00 0.00 52.86 55.98 1yce s ASN 82 Cb 0.41 -2.53 1.09 0.00 -0.55 0.00 0.00 41.25 39.67 1yce s ASN 82 CO -0.02 -0.96 1.84 -0.81 -2.79 0.00 0.00 177.10 174.36 1yce n PRO 83 N 7.22 0.03 0.04 0.43 -0.04 -1.26 -4.05 135.00 137.36 1yce n PRO 83 Ca 0.18 0.02 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 1yce n PRO 83 Cb 0.43 -1.53 -0.14 0.00 -0.04 0.00 0.00 33.50 32.21 1yce n PRO 83 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1yce h PHE 84 N 0.00 0.57 -0.45 0.54 0.05 -1.98 -3.37 116.94 112.30 1yce h PHE 84 Ca 0.00 -0.42 0.12 0.00 3.82 0.00 0.00 57.97 61.49 1yce h PHE 84 Cb 0.52 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.43 1yce h PHE 84 CO 0.00 1.67 0.32 -0.39 -0.18 0.00 0.00 178.31 179.72 1yce h VAL 85 N 0.09 0.81 0.00 -0.55 -1.51 -1.98 -0.99 116.25 112.12 1yce h VAL 85 Ca -0.37 -0.03 -0.03 0.00 -1.23 0.00 0.00 66.70 65.05 1yce h VAL 85 Cb 2.06 0.73 -0.00 0.00 -2.13 0.00 0.00 31.29 31.95 1yce h VAL 85 CO 0.14 0.01 -0.15 1.23 -1.23 0.00 0.00 177.57 177.57 1yce h GLY 86 N 0.07 0.00 1.92 5.19 0.00 -1.80 -3.17 103.07 105.29 1yce h GLY 86 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1yce h GLY 86 CO -0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.56 1yce n LEU 87 N -3.14 0.00 -4.71 3.11 4.77 -0.38 -4.84 117.00 111.81 1yce n LEU 87 Ca 0.03 0.46 -0.41 0.00 -0.03 0.00 0.00 56.01 56.07 1yce n LEU 87 Cb 0.59 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 1yce n LEU 87 CO 0.36 -0.08 0.55 -0.76 -1.33 0.00 0.00 177.39 176.13 1yce s LEU 88 N -2.92 4.31 0.00 2.23 1.43 -1.20 -5.14 118.68 117.39 1yce s LEU 88 Ca 0.14 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1yce s LEU 88 Cb 0.16 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1yce s LEU 88 CO 0.43 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.40