#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 5.12 0.16 6.12 1.47 -1.26 -4.98 116.67 123.30 1yce s ASP 2 Ca 0.00 0.75 0.03 0.00 1.18 0.00 0.00 52.55 54.51 1yce s ASP 2 Cb 0.00 -1.49 -0.04 0.00 -0.34 0.00 0.00 42.92 41.04 1yce s ASP 2 CO 0.00 -1.45 1.36 -0.03 0.68 0.00 0.00 175.17 175.73 1yce h MET 3 N -0.58 0.15 -0.58 2.11 1.85 -2.03 -2.31 114.93 113.54 1yce h MET 3 Ca -0.45 -0.18 -0.10 0.00 -0.61 0.00 0.00 59.70 58.35 1yce h MET 3 Cb 1.29 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 33.35 1yce h MET 3 CO 0.62 0.96 -0.04 1.25 -0.40 0.00 0.00 176.91 179.30 1yce h LEU 4 N 0.08 1.04 -0.56 3.39 5.85 -1.99 -1.66 115.31 121.45 1yce h LEU 4 Ca -0.04 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 1yce h LEU 4 Cb 1.56 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 1yce h LEU 4 CO 0.14 1.11 0.22 0.15 -0.34 0.00 0.00 178.44 179.71 1yce h PHE 5 N 0.95 0.85 0.07 1.25 -0.00 -1.94 -0.83 116.94 117.30 1yce h PHE 5 Ca 0.16 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.97 58.06 1yce h PHE 5 Cb 0.60 -0.25 -0.00 0.00 -0.00 0.00 0.00 35.95 36.29 1yce h PHE 5 CO 0.04 0.69 -0.04 0.00 -0.00 0.00 0.00 178.31 179.01 1yce h ALA 6 N 1.07 -0.10 -0.50 2.41 0.00 -1.11 -2.03 119.26 119.00 1yce h ALA 6 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1yce h ALA 6 Cb 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1yce h ALA 6 CO -0.01 -0.56 0.28 0.87 0.00 0.00 0.00 179.25 179.83 1yce h LYS 7 N -0.10 0.70 -0.36 0.00 1.57 -1.29 -2.55 116.57 114.53 1yce h LYS 7 Ca -0.01 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1yce h LYS 7 Cb 0.08 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.18 1yce h LYS 7 CO 0.01 0.54 -0.11 1.15 -0.57 0.00 0.00 179.45 180.47 1yce h THR 8 N 0.67 0.59 -0.03 -0.16 2.02 -0.94 -0.17 112.91 114.89 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 0.05 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1yce h THR 8 CO -0.03 0.00 -0.73 1.62 0.37 0.00 0.00 175.52 176.75 1yce h VAL 9 N -0.03 1.45 -0.36 3.16 3.04 -1.26 -1.30 116.25 120.95 1yce h VAL 9 Ca 0.18 -2.31 -0.10 0.00 -1.01 0.00 0.00 66.70 63.46 1yce h VAL 9 Cb 0.30 2.24 -0.01 0.00 -2.01 0.00 0.00 31.29 31.81 1yce h VAL 9 CO -0.39 0.67 -0.18 0.58 -1.01 0.00 0.00 177.57 177.24 1yce h VAL 10 N 0.12 1.29 -0.35 1.51 2.07 -1.23 -2.25 116.25 117.40 1yce h VAL 10 Ca -0.02 -1.30 -0.16 0.00 0.82 0.00 0.00 66.70 66.03 1yce h VAL 10 Cb 1.29 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1yce h VAL 10 CO 0.11 0.43 -0.42 -0.07 0.02 0.00 0.00 177.57 177.63 1yce h LEU 11 N 0.54 0.96 -0.74 2.57 3.38 -1.02 -1.70 115.31 119.31 1yce h LEU 11 Ca 0.08 -0.46 0.02 0.00 0.09 0.00 0.00 57.88 57.62 1yce h LEU 11 Cb 0.72 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1yce h LEU 11 CO 0.05 1.25 0.47 0.00 0.09 0.00 0.00 178.44 180.31 1yce h ALA 12 N 0.79 0.96 -0.48 1.53 0.00 -1.22 -1.47 119.26 119.38 1yce h ALA 12 Ca 0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1yce h ALA 12 Cb 1.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1yce h ALA 12 CO 0.10 0.28 -0.02 0.00 0.00 0.00 0.00 179.25 179.61 1yce h ALA 13 N 1.30 1.07 -0.72 0.00 0.00 -1.36 -2.76 119.26 116.79 1yce h ALA 13 Ca 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yce h ALA 13 Cb -0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1yce h ALA 13 CO -0.10 0.58 0.46 0.77 0.00 0.00 0.00 179.25 180.97 1yce h SER 14 N 0.75 0.84 -0.40 0.00 0.02 -0.93 0.15 113.55 113.98 1yce h SER 14 Ca 0.14 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1yce h SER 14 Cb 0.49 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1yce h SER 14 CO 0.02 0.62 0.24 0.00 -1.14 0.00 0.00 176.83 176.58 1yce h ALA 15 N 1.25 0.51 -0.48 3.77 0.00 -1.12 -0.44 119.26 122.76 1yce h ALA 15 Ca 0.26 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1yce h ALA 15 Cb -0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1yce h ALA 15 CO -0.05 -0.08 0.16 0.28 0.00 0.00 0.00 179.25 179.55 1yce h VAL 16 N 0.50 1.22 -0.67 0.00 2.07 -1.31 -2.62 116.25 115.44 1yce h VAL 16 Ca 0.16 -0.74 -0.01 0.00 0.82 0.00 0.00 66.70 66.93 1yce h VAL 16 Cb -0.01 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1yce h VAL 16 CO -0.06 0.27 0.37 1.23 0.02 0.00 0.00 177.57 179.40 1yce h GLY 17 N 0.64 1.00 0.89 2.17 0.00 -0.80 -1.91 103.07 105.06 1yce h GLY 17 Ca 0.16 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1yce h GLY 17 CO -0.01 0.43 -0.02 0.00 0.00 0.00 0.00 176.54 176.94 1yce h ALA 18 N 1.18 -0.07 -0.82 3.60 0.00 -1.01 -1.93 119.26 120.22 1yce h ALA 18 Ca 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1yce h ALA 18 Cb 0.03 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1yce h ALA 18 CO -0.04 -0.48 0.48 0.78 0.00 0.00 0.00 179.25 179.99 1yce h GLY 19 N -0.18 1.19 0.97 0.00 0.00 -1.39 -2.82 103.07 100.84 1yce h GLY 19 Ca -0.01 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1yce h GLY 19 CO 0.01 0.48 0.14 -0.84 0.00 0.00 0.00 176.54 176.33 1yce h THR 20 N 1.13 1.23 -0.73 4.70 2.02 -1.22 -2.86 112.91 117.17 1yce h THR 20 Ca 0.29 -0.79 0.09 0.00 0.77 0.00 0.00 66.41 66.77 1yce h THR 20 Cb -0.03 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 1yce h THR 20 CO -0.05 0.29 0.48 0.00 0.37 0.00 0.00 175.52 176.61 1yce h ALA 21 N 1.00 1.83 0.00 6.16 0.00 -1.10 -2.08 119.26 125.07 1yce h ALA 21 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1yce h ALA 21 Cb 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1yce h ALA 21 CO -0.00 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 1yce n MET 22 N -4.49 0.08 0.27 0.00 2.81 -1.08 -2.42 117.12 112.28 1yce n MET 22 Ca 0.12 0.35 0.10 0.00 -1.81 0.00 0.00 57.70 56.46 1yce n MET 22 Cb 0.33 -1.66 0.71 0.00 -0.71 0.00 0.00 33.22 31.90 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 0.87 -0.44 2.02 2.04 -1.46 -2.08 117.51 118.47 1yce h ILE 23 Ca 0.00 -0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 1yce h ILE 23 Cb 0.26 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1yce h ILE 23 CO 0.00 0.00 0.47 0.00 0.00 0.00 0.00 178.15 178.62 1yce h ALA 24 N 2.00 2.16 0.00 1.87 0.00 -1.69 -2.46 119.26 121.14 1yce h ALA 24 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1yce h ALA 24 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1yce h ALA 24 CO 0.00 -0.70 0.00 0.41 0.00 0.00 0.00 179.25 178.96 1yce n GLY 25 N -1.50 -0.68 0.28 0.00 0.00 -0.78 -1.88 105.19 100.63 1yce n GLY 25 Ca 0.08 0.10 -0.05 0.00 0.00 0.00 0.00 46.02 46.15 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 1.19 0.96 -0.61 2.04 -1.69 -3.24 117.51 116.15 1yce h ILE 26 Ca 0.00 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 1yce h ILE 26 Cb 0.00 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1yce h ILE 26 CO 0.00 0.18 -0.46 1.23 0.00 0.00 0.00 178.15 179.10 1yce h GLY 27 N 0.95 -1.34 0.18 5.37 0.00 -1.63 -2.55 103.07 104.04 1yce h GLY 27 Ca 0.26 0.50 0.18 0.00 0.00 0.00 0.00 47.33 48.26 1yce h GLY 27 CO -0.05 -0.49 0.62 -2.55 0.00 0.00 0.00 176.54 174.07 1yce h PRO 28 N -1.34 0.77 -0.75 4.80 0.11 -1.75 -1.49 132.00 132.35 1yce h PRO 28 Ca -0.13 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.93 1yce h PRO 28 Cb 0.98 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.88 1yce h PRO 28 CO 0.22 0.51 0.46 0.78 -0.21 0.00 0.00 178.00 179.75 1yce h GLY 29 N 0.79 1.09 0.67 -0.55 0.00 -1.53 -0.12 103.07 103.42 1yce h GLY 29 Ca 0.57 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1yce h GLY 29 CO -0.36 0.43 -0.18 -2.08 0.00 0.00 0.00 176.54 174.35 1yce h VAL 30 N 1.03 0.55 -0.36 4.60 2.07 -1.02 -2.85 116.25 120.26 1yce h VAL 30 Ca 0.27 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 1yce h VAL 30 Cb -0.05 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1yce h VAL 30 CO -0.05 0.09 0.08 1.23 0.02 0.00 0.00 177.57 178.94 1yce h GLY 31 N -0.85 0.63 1.91 2.17 0.00 -1.26 -2.37 103.07 103.30 1yce h GLY 31 Ca -0.05 -0.40 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 1yce h GLY 31 CO 0.09 0.37 -0.34 1.46 0.00 0.00 0.00 176.54 178.12 1yce h GLN 32 N 0.44 0.10 -0.41 4.80 4.20 -1.15 -2.17 115.11 120.92 1yce h GLN 32 Ca 0.11 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 1yce h GLN 32 Cb 0.32 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1yce h GLN 32 CO 0.00 0.44 -0.31 0.78 -0.67 0.00 0.00 178.83 179.07 1yce h GLY 33 N 1.09 0.99 0.80 3.46 0.00 -1.31 -1.27 103.07 106.83 1yce h GLY 33 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 47.33 46.40 1yce h GLY 33 CO 0.05 0.86 -0.18 -1.82 0.00 0.00 0.00 176.54 175.44 1yce h TYR 34 N 0.77 -0.47 -0.94 5.60 3.20 -1.19 -1.45 116.97 122.49 1yce h TYR 34 Ca 0.08 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.07 1yce h TYR 34 Cb 0.88 0.18 -0.07 0.00 1.54 0.00 0.00 36.73 39.26 1yce h TYR 34 CO 0.05 -0.27 0.60 0.00 -1.64 0.00 0.00 178.16 176.90 1yce h ALA 35 N 0.36 1.63 -0.64 1.82 0.00 -1.24 -1.06 119.26 120.13 1yce h ALA 35 Ca -0.00 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1yce h ALA 35 Cb 0.37 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1yce h ALA 35 CO -0.03 0.15 0.12 0.00 0.00 0.00 0.00 179.25 179.49 1yce h ALA 36 N 1.56 1.01 -0.41 0.00 0.00 -0.98 -1.65 119.26 118.79 1yce h ALA 36 Ca 0.45 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1yce h ALA 36 Cb 0.51 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1yce h ALA 36 CO -0.22 0.63 0.11 0.78 0.00 0.00 0.00 179.25 180.56 1yce h GLY 37 N 1.04 0.70 1.21 0.00 0.00 -0.14 -1.67 103.07 104.22 1yce h GLY 37 Ca 0.20 -0.43 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 1yce h GLY 37 CO 0.01 0.40 0.23 0.50 0.00 0.00 0.00 176.54 177.68 1yce h LYS 38 N 0.53 1.00 -0.79 4.80 1.79 -1.21 -2.31 116.57 120.38 1yce h LYS 38 Ca 0.13 -0.18 -0.03 0.00 -2.18 0.00 0.00 60.65 58.38 1yce h LYS 38 Cb 0.29 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 1yce h LYS 38 CO -0.00 0.84 0.36 0.00 -1.08 0.00 0.00 179.45 179.56 1yce h ALA 39 N 1.28 1.15 0.40 3.86 0.00 -1.06 -2.32 119.26 122.58 1yce h ALA 39 Ca 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1yce h ALA 39 Cb 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1yce h ALA 39 CO -0.01 0.63 -0.19 0.28 0.00 0.00 0.00 179.25 179.96 1yce h VAL 40 N 1.12 0.60 -0.91 0.00 2.07 -1.08 -1.48 116.25 116.58 1yce h VAL 40 Ca 0.27 -0.26 0.25 0.00 0.82 0.00 0.00 66.70 67.78 1yce h VAL 40 Cb 0.14 0.73 -0.16 0.00 -1.52 0.00 0.00 31.29 30.48 1yce h VAL 40 CO -0.03 0.05 0.15 -0.08 0.02 0.00 0.00 177.57 177.68 1yce h GLU 41 N -0.69 0.11 -0.01 1.57 4.81 -1.42 -2.69 114.58 116.26 1yce h GLU 41 Ca -0.06 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1yce h GLU 41 Cb 0.49 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1yce h GLU 41 CO 0.09 0.07 -0.20 0.77 -0.73 0.00 0.00 179.01 179.01 1yce h SER 42 N 0.11 0.19 -0.22 1.04 0.02 -1.29 -2.62 113.55 110.78 1yce h SER 42 Ca 0.57 -0.74 0.06 0.00 -0.84 0.00 0.00 61.79 60.84 1yce h SER 42 Cb 1.18 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1yce h SER 42 CO -0.76 0.91 0.19 -0.37 -1.14 0.00 0.00 176.83 175.66 1yce h VAL 43 N -0.51 0.66 0.01 2.27 -1.51 -1.23 0.14 116.25 116.08 1yce h VAL 43 Ca -0.02 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1yce h VAL 43 Cb 0.93 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1yce h VAL 43 CO 0.04 0.00 -0.00 0.00 -1.23 0.00 0.00 177.57 176.38 1yce h ALA 44 N 1.82 -0.01 -0.12 5.19 0.00 -1.47 -2.42 119.26 122.24 1yce h ALA 44 Ca 0.11 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.59 1yce h ALA 44 Cb 0.49 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1yce h ALA 44 CO -0.00 -0.27 -0.70 -0.09 0.00 0.00 0.00 179.25 178.19 1yce h ARG 45 N -0.48 0.54 -2.06 0.00 2.43 -1.07 -3.40 114.38 110.33 1yce h ARG 45 Ca -0.00 -0.42 -0.51 0.00 -0.81 0.00 0.00 59.98 58.25 1yce h ARG 45 Cb 0.47 0.08 -0.40 0.00 -0.42 0.00 0.00 29.97 29.70 1yce h ARG 45 CO 0.00 1.04 -1.07 1.04 -1.51 0.00 0.00 179.97 179.47 1yce n GLN 46 N -3.89 1.44 -0.00 0.20 6.02 0.47 -4.99 117.38 116.63 1yce n GLN 46 Ca -0.05 -3.69 0.22 0.00 -0.01 0.00 0.00 57.00 53.47 1yce n GLN 46 Cb 0.69 -1.80 0.72 0.00 1.02 0.00 0.00 30.24 30.88 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 3.05 0.00 0.00 -1.09 0.13 -1.62 0.11 132.00 132.59 1yce h PRO 47 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1yce h PRO 47 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1yce h PRO 47 CO 0.57 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.73 1yce n GLU 48 N -4.02 0.14 -0.41 0.86 4.71 -1.26 -2.75 120.64 117.92 1yce n GLU 48 Ca 0.11 0.30 0.08 0.00 -0.01 0.00 0.00 57.16 57.64 1yce n GLU 48 Cb 0.71 -1.74 0.27 0.00 -1.01 0.00 0.00 31.44 29.67 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 -1.69 2.77 -0.15 0.62 0.00 0.38 -4.55 120.51 117.89 1yce n ALA 49 Ca 0.04 -1.13 0.14 0.00 0.00 0.00 0.00 53.44 52.49 1yce n ALA 49 Cb 0.26 -1.00 0.49 0.00 0.00 0.00 0.00 19.45 19.21 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 3.19 0.42 0.50 0.00 3.64 -1.65 -2.35 116.57 120.33 1yce h LYS 50 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1yce h LYS 50 Cb 1.02 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1yce h LYS 50 CO 0.12 0.28 -0.51 0.78 -2.27 0.00 0.00 179.45 177.85 1yce h GLY 51 N 0.44 -1.27 1.27 5.01 0.00 -1.87 -2.89 103.07 103.75 1yce h GLY 51 Ca 0.35 0.60 -0.12 0.00 0.00 0.00 0.00 47.33 48.16 1yce h GLY 51 CO -0.11 -0.37 -0.20 -0.55 0.00 0.00 0.00 176.54 175.30 1yce h ASP 52 N -1.01 0.85 0.15 0.19 3.32 -1.83 -2.82 116.42 115.27 1yce h ASP 52 Ca -0.06 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.70 1yce h ASP 52 Cb 0.88 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.17 1yce h ASP 52 CO -0.07 1.03 -0.25 0.40 -1.72 0.00 0.00 179.24 178.64 1yce h ILE 53 N 0.73 0.46 -0.37 0.35 2.04 -1.46 -0.82 117.51 118.44 1yce h ILE 53 Ca 0.10 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.80 1yce h ILE 53 Cb 0.73 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1yce h ILE 53 CO 0.06 0.00 -0.40 0.40 0.00 0.00 0.00 178.15 178.21 1yce h ILE 54 N -0.47 1.27 -0.56 -0.67 2.04 -1.53 -0.05 117.51 117.54 1yce h ILE 54 Ca 0.02 -1.58 -0.11 0.00 1.00 0.00 0.00 64.86 64.19 1yce h ILE 54 Cb 0.48 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1yce h ILE 54 CO -0.12 0.52 -0.08 0.77 0.00 0.00 0.00 178.15 179.25 1yce h SER 55 N 0.74 1.04 -0.56 1.72 4.64 -1.47 -1.49 113.55 118.17 1yce h SER 55 Ca 0.06 -0.33 -0.10 0.00 -0.47 0.00 0.00 61.79 60.95 1yce h SER 55 Cb 0.99 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1yce h SER 55 CO 0.10 1.13 -0.03 0.74 -0.87 0.00 0.00 176.83 177.90 1yce h THR 56 N 0.93 1.27 -0.03 2.95 2.02 -1.08 -2.05 112.91 116.93 1yce h THR 56 Ca 0.15 -1.17 0.01 0.00 0.77 0.00 0.00 66.41 66.17 1yce h THR 56 Cb 0.64 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1yce h THR 56 CO 0.04 0.42 -0.02 -0.03 0.37 0.00 0.00 175.52 176.30 1yce h MET 57 N 0.89 -0.02 -0.58 6.66 -1.53 -0.81 -1.94 114.93 117.61 1yce h MET 57 Ca 0.16 0.00 -0.05 0.00 -3.44 0.00 0.00 59.70 56.37 1yce h MET 57 Cb 0.58 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.61 1yce h MET 57 CO 0.03 -0.01 0.16 0.28 0.14 0.00 0.00 176.91 177.51 1yce h VAL 58 N -0.02 1.24 -0.00 -5.77 2.07 -1.26 -0.39 116.25 112.12 1yce h VAL 58 Ca 0.02 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1yce h VAL 58 Cb 0.05 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1yce h VAL 58 CO -0.04 0.32 -0.01 0.25 0.02 0.00 0.00 177.57 178.11 1yce h LEU 59 N 0.82 -0.02 -0.63 2.57 6.46 -1.25 -0.21 115.31 123.04 1yce h LEU 59 Ca 0.18 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.82 1yce h LEU 59 Cb 0.32 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1yce h LEU 59 CO -0.00 -0.01 -0.24 1.23 -0.62 0.00 0.00 178.44 178.80 1yce h GLY 60 N -0.01 0.89 1.04 3.75 0.00 -1.28 -2.42 103.07 105.03 1yce h GLY 60 Ca 0.00 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 46.50 1yce h GLY 60 CO -0.01 0.71 0.17 1.46 0.00 0.00 0.00 176.54 178.87 1yce h GLN 61 N 0.71 1.06 -0.50 4.80 4.20 -1.03 -2.62 115.11 121.73 1yce h GLN 61 Ca 0.09 -0.25 0.04 0.00 0.06 0.00 0.00 58.65 58.60 1yce h GLN 61 Cb 0.77 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 1yce h GLN 61 CO 0.06 0.94 0.25 0.00 -0.67 0.00 0.00 178.83 179.42 1yce h ALA 62 N 1.07 0.63 -0.60 3.87 0.00 -0.73 -1.64 119.26 121.86 1yce h ALA 62 Ca 0.21 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1yce h ALA 62 Cb 0.35 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1yce h ALA 62 CO -0.00 -0.09 0.39 0.28 0.00 0.00 0.00 179.25 179.83 1yce h VAL 63 N 0.50 1.13 0.00 0.00 2.07 -1.37 -2.13 116.25 116.45 1yce h VAL 63 Ca 0.22 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1yce h VAL 63 Cb 0.12 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1yce h VAL 63 CO -0.15 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1yce h ALA 64 N 1.23 1.00 0.00 1.67 0.00 -1.03 -2.87 119.26 119.26 1yce h ALA 64 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 64 Cb -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1yce h ALA 64 CO -0.06 0.00 -0.37 1.49 0.00 0.00 0.00 179.25 180.31 1yce h GLU 65 N 0.00 0.00 -1.00 0.00 4.57 -0.61 -3.40 114.58 114.14 1yce h GLU 65 Ca 0.00 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.29 1yce h GLU 65 Cb 0.21 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.72 1yce h GLU 65 CO 0.00 0.37 0.63 0.66 -1.18 0.00 0.00 179.01 179.50 1yce h SER 66 N 0.00 0.95 1.17 1.04 4.64 -1.56 -0.94 113.55 118.85 1yce h SER 66 Ca -0.00 0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1yce h SER 66 Cb 1.18 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1yce h SER 66 CO 0.05 0.52 -0.29 0.71 -0.87 0.00 0.00 176.83 176.95 1yce h THR 67 N 1.02 0.61 -0.42 2.95 1.35 -1.83 -0.87 112.91 115.72 1yce h THR 67 Ca 0.49 -1.44 -0.14 0.00 -0.55 0.00 0.00 66.41 64.77 1yce h THR 67 Cb 0.44 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 1yce h THR 67 CO -0.25 0.29 -0.28 1.23 -0.25 0.00 0.00 175.52 176.26 1yce h GLY 68 N 2.64 0.97 1.04 5.82 0.00 -1.46 -2.68 103.07 109.41 1yce h GLY 68 Ca -0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 47.33 46.33 1yce h GLY 68 CO 0.04 0.81 -0.10 -2.22 0.00 0.00 0.00 176.54 175.08 1yce h ILE 69 N 0.76 1.27 -0.28 2.60 1.08 -1.06 -2.39 117.51 119.49 1yce h ILE 69 Ca 0.09 -1.22 0.02 0.00 -0.39 0.00 0.00 64.86 63.36 1yce h ILE 69 Cb 0.84 1.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.64 1yce h ILE 69 CO 0.07 0.42 0.13 1.88 -0.69 0.00 0.00 178.15 179.97 1yce h TYR 70 N 0.76 0.25 -0.35 1.37 0.05 -1.13 0.76 116.97 118.68 1yce h TYR 70 Ca 0.12 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.94 1yce h TYR 70 Cb 0.64 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.28 1yce h TYR 70 CO 0.05 0.14 0.19 0.77 -1.05 0.00 0.00 178.16 178.25 1yce h SER 71 N 0.28 0.29 -0.97 3.88 0.02 -1.49 -1.62 113.55 113.94 1yce h SER 71 Ca 0.11 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1yce h SER 71 Cb 0.04 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.47 1yce h SER 71 CO -0.08 0.21 0.62 0.25 -1.14 0.00 0.00 176.83 176.69 1yce h LEU 72 N 0.38 1.00 -0.32 5.07 5.85 -0.92 0.36 115.31 126.73 1yce h LEU 72 Ca 0.14 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1yce h LEU 72 Cb 0.03 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1yce h LEU 72 CO -0.09 0.65 -0.01 0.58 -0.34 0.00 0.00 178.44 179.23 1yce h VAL 73 N 1.14 1.26 -0.47 1.05 2.07 -0.44 -1.28 116.25 119.59 1yce h VAL 73 Ca 0.41 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.96 1yce h VAL 73 Cb 0.14 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1yce h VAL 73 CO -0.16 0.32 0.30 0.40 0.02 0.00 0.00 177.57 178.44 1yce h ILE 74 N 0.37 1.09 -0.70 4.57 1.08 -0.77 -0.72 117.51 122.44 1yce h ILE 74 Ca 0.09 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 1yce h ILE 74 Cb 0.47 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.62 1yce h ILE 74 CO 0.02 0.11 0.46 0.00 -0.69 0.00 0.00 178.15 178.04 1yce h ALA 75 N 1.19 0.89 0.00 1.87 0.00 -0.82 -1.94 119.26 120.44 1yce h ALA 75 Ca 0.18 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1yce h ALA 75 Cb -0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1yce h ALA 75 CO -0.06 0.32 -0.55 -0.07 0.00 0.00 0.00 179.25 178.89 1yce h LEU 76 N 0.95 0.00 0.19 0.00 3.38 -0.87 -1.70 115.31 117.25 1yce h LEU 76 Ca 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1yce h LEU 76 Cb -0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1yce h LEU 76 CO -0.05 0.55 -0.09 0.40 0.09 0.00 0.00 178.44 179.34 1yce h ILE 77 N 0.00 0.91 -0.92 1.22 2.04 -0.96 -0.13 117.51 119.68 1yce h ILE 77 Ca -0.01 -0.53 0.10 0.00 1.00 0.00 0.00 64.86 65.42 1yce h ILE 77 Cb 1.04 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 38.28 1yce h ILE 77 CO 0.07 0.12 0.59 -0.07 0.00 0.00 0.00 178.15 178.86 1yce h LEU 78 N -0.52 0.83 0.18 1.44 3.38 -1.19 0.35 115.31 119.79 1yce h LEU 78 Ca -0.03 0.03 -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 41.01 1yce h LEU 78 CO 0.04 0.49 -1.48 -0.07 0.09 0.00 0.00 178.44 177.51 1yce h LEU 79 N 0.92 0.60 0.00 1.67 3.38 -1.30 -3.39 115.31 117.19 1yce h LEU 79 Ca 0.43 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1yce h LEU 79 Cb 0.41 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1yce h LEU 79 CO -0.19 1.57 -0.59 -1.22 0.09 0.00 0.00 178.44 178.10 1yce n TYR 80 N -3.59 0.00 -2.93 1.13 4.02 -0.06 -4.74 117.16 110.99 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 1.07 -0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.38 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 -1.30 2.72 -1.97 -0.72 0.00 0.05 -5.02 120.51 114.28 1yce n ALA 81 Ca -0.00 -3.29 -0.42 0.00 0.00 0.00 0.00 53.44 49.73 1yce n ALA 81 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.78 6.64 0.05 0.00 3.84 -0.83 -4.67 114.94 117.19 1yce s ASN 82 Ca 0.34 2.28 0.28 0.00 0.21 0.00 0.00 52.86 55.97 1yce s ASN 82 Cb 0.40 -2.53 1.05 0.00 -0.55 0.00 0.00 41.25 39.62 1yce s ASN 82 CO -0.02 -0.94 1.83 -0.81 -2.79 0.00 0.00 177.10 174.36 1yce n PRO 83 N 7.18 0.06 0.05 0.43 -0.04 -1.26 -4.05 135.00 137.37 1yce n PRO 83 Ca 0.18 0.05 -0.21 0.00 -0.04 0.00 0.00 63.50 63.47 1yce n PRO 83 Cb 0.43 -1.57 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 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 0.59 -0.46 0.54 0.05 -1.98 -3.37 116.94 112.31 1yce h PHE 84 Ca 0.00 -0.43 0.11 0.00 3.82 0.00 0.00 57.97 61.47 1yce h PHE 84 Cb 0.56 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.46 1yce h PHE 84 CO 0.00 1.66 0.32 -0.39 -0.18 0.00 0.00 178.31 179.72 1yce h VAL 85 N 0.09 0.82 0.00 -0.55 -1.51 -1.98 -1.04 116.25 112.09 1yce h VAL 85 Ca -0.36 -0.04 -0.04 0.00 -1.23 0.00 0.00 66.70 65.04 1yce h VAL 85 Cb 2.07 0.70 -0.01 0.00 -2.13 0.00 0.00 31.29 31.93 1yce h VAL 85 CO 0.14 0.02 -0.17 1.23 -1.23 0.00 0.00 177.57 177.57 1yce h GLY 86 N 0.11 0.00 1.93 5.19 0.00 -1.80 -3.17 103.07 105.34 1yce h GLY 86 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 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 -3.15 0.00 -4.71 3.11 4.77 -0.40 -4.84 117.00 111.78 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 0.58 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1yce n LEU 87 CO 0.36 -0.08 0.54 -0.76 -1.33 0.00 0.00 177.39 176.12 1yce s LEU 88 N -2.93 4.31 0.00 2.23 1.43 -1.20 -5.14 118.68 117.38 1yce s LEU 88 Ca 0.14 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1yce s LEU 88 Cb 0.16 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 43.09 1yce s LEU 88 CO 0.43 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.40