#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 5.19 0.15 6.12 1.47 -1.26 -4.98 116.67 123.37 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 -1.53 -0.05 0.00 -0.34 0.00 0.00 42.92 41.00 1yce s ASP 2 CO 0.00 -1.40 1.35 -0.03 0.68 0.00 0.00 175.17 175.77 1yce h MET 3 N -0.53 0.16 -0.54 2.11 1.85 -2.03 -2.38 114.93 113.56 1yce h MET 3 Ca -0.45 -0.19 -0.11 0.00 -0.61 0.00 0.00 59.70 58.34 1yce h MET 3 Cb 1.28 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 33.35 1yce h MET 3 CO 0.62 0.97 -0.08 1.25 -0.40 0.00 0.00 176.91 179.27 1yce h LEU 4 N 0.08 0.99 -0.60 3.39 5.85 -1.99 -1.65 115.31 121.39 1yce h LEU 4 Ca -0.05 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.32 1yce h LEU 4 Cb 1.57 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 1yce h LEU 4 CO 0.14 1.09 0.22 0.15 -0.34 0.00 0.00 178.44 179.70 1yce h PHE 5 N 0.90 0.93 0.13 1.25 -0.00 -1.94 -0.99 116.94 117.21 1yce h PHE 5 Ca 0.15 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.97 58.03 1yce h PHE 5 Cb 0.64 -0.27 0.00 0.00 -0.00 0.00 0.00 35.95 36.31 1yce h PHE 5 CO 0.04 0.75 -0.06 0.00 -0.00 0.00 0.00 178.31 179.04 1yce h ALA 6 N 1.07 -0.17 -0.57 2.41 0.00 -1.13 -2.07 119.26 118.81 1yce h ALA 6 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1yce h ALA 6 Cb 0.24 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1yce h ALA 6 CO -0.01 -0.58 0.34 0.87 0.00 0.00 0.00 179.25 179.87 1yce h LYS 7 N -0.20 0.78 -0.35 0.00 1.57 -1.30 -2.53 116.57 114.53 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 0.16 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 1yce h LYS 7 CO 0.03 0.57 -0.06 1.15 -0.57 0.00 0.00 179.45 180.56 1yce h THR 8 N 0.77 0.68 -0.02 -0.16 2.02 -0.96 -0.06 112.91 115.17 1yce h THR 8 Ca 0.20 -0.01 -0.17 0.00 0.77 0.00 0.00 66.41 67.21 1yce h THR 8 Cb -0.01 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1yce h THR 8 CO -0.04 0.01 -0.74 -0.37 0.37 0.00 0.00 175.52 174.75 1yce h VAL 9 N 0.03 1.46 -0.35 3.16 -1.51 -1.25 -1.26 116.25 116.52 1yce h VAL 9 Ca 0.17 -2.34 -0.10 0.00 -1.23 0.00 0.00 66.70 63.20 1yce h VAL 9 Cb 0.25 2.26 -0.01 0.00 -2.13 0.00 0.00 31.29 31.66 1yce h VAL 9 CO -0.34 0.68 -0.17 0.58 -1.23 0.00 0.00 177.57 177.09 1yce h VAL 10 N 0.11 1.29 -0.35 7.19 2.07 -1.22 -2.19 116.25 123.14 1yce h VAL 10 Ca -0.02 -1.29 -0.17 0.00 0.82 0.00 0.00 66.70 66.04 1yce h VAL 10 Cb 1.30 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1yce h VAL 10 CO 0.11 0.42 -0.43 -0.07 0.02 0.00 0.00 177.57 177.62 1yce h LEU 11 N 0.52 0.98 -0.69 2.57 3.38 -1.00 -1.68 115.31 119.39 1yce h LEU 11 Ca 0.08 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.62 1yce h LEU 11 Cb 0.71 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1yce h LEU 11 CO 0.05 1.27 0.42 0.00 0.09 0.00 0.00 178.44 180.27 1yce h ALA 12 N 0.77 0.92 -0.52 1.53 0.00 -1.21 -1.56 119.26 119.18 1yce h ALA 12 Ca 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1yce h ALA 12 Cb 1.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1yce h ALA 12 CO 0.10 0.16 0.03 0.00 0.00 0.00 0.00 179.25 179.53 1yce h ALA 13 N 1.32 1.06 -0.78 0.00 0.00 -1.35 -2.73 119.26 116.78 1yce h ALA 13 Ca 0.29 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1yce h ALA 13 Cb 0.08 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1yce h ALA 13 CO -0.14 0.59 0.47 0.77 0.00 0.00 0.00 179.25 180.95 1yce h SER 14 N 0.81 0.94 -0.32 0.00 0.02 -0.89 0.23 113.55 114.34 1yce h SER 14 Ca 0.16 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 1yce h SER 14 Cb 0.45 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 1yce h SER 14 CO 0.02 0.72 0.20 0.00 -1.14 0.00 0.00 176.83 176.63 1yce h ALA 15 N 1.25 0.40 -0.52 3.77 0.00 -1.13 -0.27 119.26 122.75 1yce h ALA 15 Ca 0.28 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1yce h ALA 15 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1yce h ALA 15 CO -0.05 -0.15 0.20 0.28 0.00 0.00 0.00 179.25 179.53 1yce h VAL 16 N 0.41 1.22 -0.62 0.00 2.07 -1.31 -2.63 116.25 115.39 1yce h VAL 16 Ca 0.12 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1yce h VAL 16 Cb -0.04 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1yce h VAL 16 CO -0.03 0.26 0.34 1.23 0.02 0.00 0.00 177.57 179.39 1yce h GLY 17 N 0.71 0.93 0.89 2.17 0.00 -0.80 -1.86 103.07 105.11 1yce h GLY 17 Ca 0.17 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1yce h GLY 17 CO -0.01 0.40 0.04 0.00 0.00 0.00 0.00 176.54 176.97 1yce h ALA 18 N 1.16 0.11 -0.82 3.60 0.00 -0.97 -1.86 119.26 120.48 1yce h ALA 18 Ca 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1yce h ALA 18 Cb 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1yce h ALA 18 CO -0.04 -0.33 0.44 0.78 0.00 0.00 0.00 179.25 180.10 1yce h GLY 19 N 0.01 1.22 0.97 0.00 0.00 -1.40 -2.85 103.07 101.03 1yce h GLY 19 Ca 0.03 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1yce h GLY 19 CO -0.00 0.53 0.15 -0.84 0.00 0.00 0.00 176.54 176.38 1yce h THR 20 N 1.15 1.23 -0.78 4.70 2.02 -1.20 -2.89 112.91 117.14 1yce h THR 20 Ca 0.29 -0.78 0.10 0.00 0.77 0.00 0.00 66.41 66.79 1yce h THR 20 Cb 0.04 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 1yce h THR 20 CO -0.04 0.29 0.51 0.00 0.37 0.00 0.00 175.52 176.64 1yce h ALA 21 N 1.01 1.82 0.00 6.16 0.00 -1.11 -2.07 119.26 125.07 1yce h ALA 21 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 21 Cb 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1yce h ALA 21 CO -0.00 0.02 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 1yce n MET 22 N -4.50 0.07 0.26 0.00 2.81 -1.09 -2.43 117.12 112.24 1yce n MET 22 Ca 0.13 0.33 0.11 0.00 -1.81 0.00 0.00 57.70 56.46 1yce n MET 22 Cb 0.35 -1.64 0.73 0.00 -0.71 0.00 0.00 33.22 31.96 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 -0.55 2.02 2.04 -1.45 -2.09 117.51 118.30 1yce h ILE 23 Ca 0.00 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.02 1yce h ILE 23 Cb 0.27 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1yce h ILE 23 CO 0.00 0.00 0.52 0.00 0.00 0.00 0.00 178.15 178.67 1yce h ALA 24 N 1.98 2.34 0.00 1.87 0.00 -1.69 -2.51 119.26 121.25 1yce h ALA 24 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yce h ALA 24 Cb 0.06 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1yce h ALA 24 CO -0.00 -0.81 0.04 0.41 0.00 0.00 0.00 179.25 178.89 1yce n GLY 25 N -1.56 -0.70 0.28 0.00 0.00 -0.78 -1.92 105.19 100.51 1yce n GLY 25 Ca 0.11 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 1.18 0.85 -0.61 2.04 -1.69 -3.24 117.51 116.04 1yce h ILE 26 Ca 0.00 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 1yce h ILE 26 Cb 0.08 0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1yce h ILE 26 CO 0.00 0.18 -0.41 1.23 0.00 0.00 0.00 178.15 179.15 1yce h GLY 27 N 0.97 -1.19 0.39 5.37 0.00 -1.65 -2.54 103.07 104.43 1yce h GLY 27 Ca 0.26 0.44 0.15 0.00 0.00 0.00 0.00 47.33 48.19 1yce h GLY 27 CO -0.06 -0.43 0.61 -2.55 0.00 0.00 0.00 176.54 174.11 1yce h PRO 28 N -1.22 0.77 -0.71 4.80 0.11 -1.75 -1.42 132.00 132.58 1yce h PRO 28 Ca -0.12 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 1yce h PRO 28 Cb 0.88 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 1yce h PRO 28 CO 0.19 0.51 0.43 0.78 -0.21 0.00 0.00 178.00 179.70 1yce h GLY 29 N 0.79 1.03 0.67 -0.55 0.00 -1.53 0.09 103.07 103.58 1yce h GLY 29 Ca 0.50 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1yce h GLY 29 CO -0.27 0.42 -0.18 -2.08 0.00 0.00 0.00 176.54 174.43 1yce h VAL 30 N 0.97 0.57 -0.38 4.60 2.07 -1.00 -2.82 116.25 120.27 1yce h VAL 30 Ca 0.26 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1yce h VAL 30 Cb -0.03 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1yce h VAL 30 CO -0.05 0.09 0.04 1.23 0.02 0.00 0.00 177.57 178.90 1yce h GLY 31 N -0.83 0.69 1.81 2.17 0.00 -1.25 -2.41 103.07 103.25 1yce h GLY 31 Ca -0.05 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 1yce h GLY 31 CO 0.08 0.44 -0.29 1.46 0.00 0.00 0.00 176.54 178.23 1yce h GLN 32 N 0.47 0.22 -0.44 4.80 4.20 -1.10 -2.15 115.11 121.11 1yce h GLN 32 Ca 0.11 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.61 1yce h GLN 32 Cb 0.40 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1yce h GLN 32 CO 0.01 0.50 -0.25 0.78 -0.67 0.00 0.00 178.83 179.20 1yce h GLY 33 N 1.02 1.01 0.73 3.46 0.00 -1.32 -1.25 103.07 106.72 1yce h GLY 33 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.46 1yce h GLY 33 CO 0.04 0.82 -0.23 -1.82 0.00 0.00 0.00 176.54 175.36 1yce h TYR 34 N 0.80 -0.61 -0.94 5.60 3.20 -1.21 -1.33 116.97 122.49 1yce h TYR 34 Ca 0.10 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.09 1yce h TYR 34 Cb 0.81 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.25 1yce h TYR 34 CO 0.05 -0.34 0.60 0.00 -1.64 0.00 0.00 178.16 176.83 1yce h ALA 35 N 0.20 1.63 -0.62 1.82 0.00 -1.22 -0.99 119.26 120.09 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 0.46 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1yce h ALA 35 CO -0.06 0.15 0.10 0.00 0.00 0.00 0.00 179.25 179.45 1yce h ALA 36 N 1.56 1.01 -0.42 0.00 0.00 -0.96 -1.67 119.26 118.79 1yce h ALA 36 Ca 0.45 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1yce h ALA 36 Cb 0.50 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1yce h ALA 36 CO -0.21 0.63 0.13 0.78 0.00 0.00 0.00 179.25 180.57 1yce h GLY 37 N 1.03 0.71 1.21 0.00 0.00 -0.04 -1.72 103.07 104.25 1yce h GLY 37 Ca 0.19 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1yce h GLY 37 CO 0.01 0.39 0.25 0.50 0.00 0.00 0.00 176.54 177.69 1yce h LYS 38 N 0.54 1.01 -0.82 4.80 1.79 -1.23 -2.11 116.57 120.55 1yce h LYS 38 Ca 0.14 -0.18 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1yce h LYS 38 Cb 0.27 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 1yce h LYS 38 CO -0.00 0.84 0.38 0.00 -1.08 0.00 0.00 179.45 179.58 1yce h ALA 39 N 1.29 1.12 0.01 3.86 0.00 -1.06 -1.27 119.26 123.21 1yce h ALA 39 Ca 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1yce h ALA 39 Cb 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1yce h ALA 39 CO -0.02 0.65 -0.00 0.28 0.00 0.00 0.00 179.25 180.16 1yce h VAL 40 N 1.17 1.11 -0.39 0.00 2.07 -1.09 -2.49 116.25 116.63 1yce h VAL 40 Ca 0.28 -0.36 0.08 0.00 0.82 0.00 0.00 66.70 67.52 1yce h VAL 40 Cb 0.14 1.36 -0.07 0.00 -1.52 0.00 0.00 31.29 31.19 1yce h VAL 40 CO -0.03 0.09 -0.05 -0.08 0.02 0.00 0.00 177.57 177.52 1yce h GLU 41 N -0.17 0.05 -0.49 1.57 4.81 -1.31 -2.78 114.58 116.26 1yce h GLU 41 Ca -0.00 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1yce h GLU 41 Cb 0.16 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1yce h GLU 41 CO 0.00 0.03 -0.00 0.77 -0.73 0.00 0.00 179.01 179.08 1yce h SER 42 N 0.05 0.84 1.30 1.04 0.02 -1.21 -3.05 113.55 112.54 1yce h SER 42 Ca 0.19 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1yce h SER 42 Cb 0.28 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1yce h SER 42 CO -0.36 0.94 0.00 -0.37 -1.14 0.00 0.00 176.83 175.90 1yce h VAL 43 N 0.72 0.00 -0.12 2.27 -1.51 -1.40 0.25 116.25 116.45 1yce h VAL 43 Ca 0.14 -0.63 -0.23 0.00 -1.23 0.00 0.00 66.70 64.75 1yce h VAL 43 Cb 0.51 1.62 0.01 0.00 -2.13 0.00 0.00 31.29 31.30 1yce h VAL 43 CO 0.03 0.00 -0.81 0.00 -1.23 0.00 0.00 177.57 175.55 1yce h ALA 44 N 2.03 0.32 0.00 5.19 0.00 -1.52 -2.94 119.26 122.35 1yce h ALA 44 Ca 0.00 -0.62 -0.18 0.00 0.00 0.00 0.00 54.91 54.11 1yce h ALA 44 Cb 0.65 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1yce h ALA 44 CO 0.00 0.70 -0.88 -0.09 0.00 0.00 0.00 179.25 178.98 1yce h ARG 45 N 0.49 0.00 -1.66 0.00 2.43 -1.38 -3.41 114.38 110.85 1yce h ARG 45 Ca -0.06 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.63 1yce h ARG 45 Cb 1.44 0.00 -0.35 0.00 -0.42 0.00 0.00 29.97 30.64 1yce h ARG 45 CO 0.16 0.88 -1.03 1.04 -1.51 0.00 0.00 179.97 179.52 1yce n GLN 46 N -3.35 0.81 -0.37 0.20 6.02 0.85 -4.97 117.38 116.57 1yce n GLN 46 Ca 0.00 -3.02 0.31 0.00 -0.01 0.00 0.00 57.00 54.28 1yce n GLN 46 Cb 0.88 -1.37 0.63 0.00 1.02 0.00 0.00 30.24 31.40 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 3.65 0.18 0.00 -1.09 0.13 -1.75 0.31 132.00 133.44 1yce h PRO 47 Ca 0.04 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1yce h PRO 47 Cb 0.94 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.02 1yce h PRO 47 CO 0.44 0.12 -0.02 1.05 -0.23 0.00 0.00 178.00 179.36 1yce h GLU 48 N 0.19 0.00 -0.64 0.86 -0.00 -1.93 -2.88 114.58 110.18 1yce h GLU 48 Ca 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 60.01 1yce h GLU 48 Cb 2.08 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.83 1yce h GLU 48 CO -0.22 0.02 0.00 0.00 -0.00 0.00 0.00 179.01 178.81 1yce n ALA 49 N -2.33 2.94 0.21 1.06 0.00 0.11 -4.57 120.51 117.93 1yce n ALA 49 Ca -0.03 -0.88 0.06 0.00 0.00 0.00 0.00 53.44 52.59 1yce n ALA 49 Cb 0.10 -1.03 0.46 0.00 0.00 0.00 0.00 19.45 18.97 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 2.15 0.00 0.55 0.00 3.64 -1.65 0.15 116.57 121.41 1yce h LYS 50 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1yce h LYS 50 Cb 1.00 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.82 1yce h LYS 50 CO 0.16 0.30 -0.26 0.78 -2.27 0.00 0.00 179.45 178.16 1yce h GLY 51 N 1.17 -0.77 0.24 5.01 0.00 -1.87 -2.70 103.07 104.15 1yce h GLY 51 Ca -0.00 0.29 0.17 0.00 0.00 0.00 0.00 47.33 47.79 1yce h GLY 51 CO 0.04 -0.28 0.62 -0.55 0.00 0.00 0.00 176.54 176.36 1yce h ASP 52 N -0.94 0.78 0.40 0.19 3.32 -1.87 0.12 116.42 118.42 1yce h ASP 52 Ca -0.08 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1yce h ASP 52 Cb 0.57 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1yce h ASP 52 CO 0.12 0.32 -0.19 0.40 -1.72 0.00 0.00 179.24 178.17 1yce h ILE 53 N 0.78 0.60 -0.38 0.35 2.04 -0.78 -1.83 117.51 118.29 1yce h ILE 53 Ca 0.54 -0.28 -0.16 0.00 1.00 0.00 0.00 64.86 65.96 1yce h ILE 53 Cb 0.83 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1yce h ILE 53 CO -0.33 0.05 -0.39 0.40 0.00 0.00 0.00 178.15 177.88 1yce h ILE 54 N -0.70 1.27 -0.59 -0.67 2.04 -1.11 -0.13 117.51 117.62 1yce h ILE 54 Ca -0.06 -1.57 -0.11 0.00 1.00 0.00 0.00 64.86 64.13 1yce h ILE 54 Cb 0.50 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 1yce h ILE 54 CO 0.09 0.53 -0.05 0.77 0.00 0.00 0.00 178.15 179.49 1yce h SER 55 N 0.76 1.06 -0.57 1.72 4.64 -0.84 -1.41 113.55 118.91 1yce h SER 55 Ca 0.06 -0.32 -0.10 0.00 -0.47 0.00 0.00 61.79 60.96 1yce h SER 55 Cb 0.99 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1yce h SER 55 CO 0.10 1.13 -0.02 0.74 -0.87 0.00 0.00 176.83 177.90 1yce h THR 56 N 0.96 1.27 -0.10 2.95 2.02 -1.26 -1.96 112.91 116.79 1yce h THR 56 Ca 0.16 -1.16 0.00 0.00 0.77 0.00 0.00 66.41 66.18 1yce h THR 56 Cb 0.61 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1yce h THR 56 CO 0.04 0.42 0.06 -0.03 0.37 0.00 0.00 175.52 176.37 1yce h MET 57 N 0.91 0.12 -0.53 6.66 -1.53 -0.81 -1.92 114.93 117.83 1yce h MET 57 Ca 0.16 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.36 1yce h MET 57 Cb 0.58 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.58 1yce h MET 57 CO 0.03 0.08 0.13 0.28 0.14 0.00 0.00 176.91 177.58 1yce h VAL 58 N 0.12 1.24 -0.04 -5.77 2.07 -1.23 -0.20 116.25 112.44 1yce h VAL 58 Ca 0.04 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.71 1yce h VAL 58 Cb -0.01 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1yce h VAL 58 CO -0.01 0.31 -0.00 0.25 0.02 0.00 0.00 177.57 178.13 1yce h LEU 59 N 0.74 -0.03 -0.65 2.57 6.46 -1.24 -0.29 115.31 122.88 1yce h LEU 59 Ca 0.17 0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.81 1yce h LEU 59 Cb 0.33 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1yce h LEU 59 CO 0.00 -0.01 -0.29 1.23 -0.62 0.00 0.00 178.44 178.75 1yce h GLY 60 N 0.01 0.81 1.09 3.75 0.00 -1.28 -2.48 103.07 104.96 1yce h GLY 60 Ca 0.02 -0.74 -0.08 0.00 0.00 0.00 0.00 47.33 46.54 1yce h GLY 60 CO -0.04 0.67 0.13 1.46 0.00 0.00 0.00 176.54 178.76 1yce h GLN 61 N 0.64 1.12 -0.50 4.80 4.20 -0.99 -2.56 115.11 121.82 1yce h GLN 61 Ca 0.08 -0.29 0.04 0.00 0.06 0.00 0.00 58.65 58.53 1yce h GLN 61 Cb 0.81 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.41 1yce h GLN 61 CO 0.07 1.01 0.27 0.00 -0.67 0.00 0.00 178.83 179.50 1yce h ALA 62 N 1.08 0.63 -0.55 3.87 0.00 -0.77 -1.68 119.26 121.84 1yce h ALA 62 Ca 0.21 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1yce h ALA 62 Cb 0.42 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1yce h ALA 62 CO 0.01 -0.07 0.35 0.28 0.00 0.00 0.00 179.25 179.82 1yce h VAL 63 N 0.52 1.10 0.00 0.00 2.07 -1.39 -2.12 116.25 116.43 1yce h VAL 63 Ca 0.21 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1yce h VAL 63 Cb 0.09 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1yce h VAL 63 CO -0.13 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.58 1yce h ALA 64 N 1.22 1.00 0.00 1.67 0.00 -0.99 -2.86 119.26 119.30 1yce h ALA 64 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1yce h ALA 64 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1yce h ALA 64 CO -0.07 0.00 -0.43 1.49 0.00 0.00 0.00 179.25 180.24 1yce h GLU 65 N 0.00 0.00 -0.94 0.00 4.57 -0.61 -3.40 114.58 114.20 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 0.17 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.68 1yce h GLU 65 CO 0.00 0.43 0.57 0.66 -1.18 0.00 0.00 179.01 179.49 1yce h SER 66 N 0.00 0.82 1.05 1.04 4.64 -1.56 -0.92 113.55 118.63 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 1.17 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 1yce h SER 66 CO 0.06 0.44 -0.32 0.71 -0.87 0.00 0.00 176.83 176.85 1yce h THR 67 N 0.91 0.69 -0.49 2.95 1.35 -1.83 -0.93 112.91 115.56 1yce h THR 67 Ca 0.47 -1.45 -0.13 0.00 -0.55 0.00 0.00 66.41 64.75 1yce h THR 67 Cb 0.46 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.82 1yce h THR 67 CO -0.27 0.31 -0.19 1.23 -0.25 0.00 0.00 175.52 176.35 1yce h GLY 68 N 2.42 1.06 1.02 5.82 0.00 -1.45 -2.66 103.07 109.28 1yce h GLY 68 Ca -0.00 -0.91 -0.08 0.00 0.00 0.00 0.00 47.33 46.33 1yce h GLY 68 CO 0.04 0.83 0.01 -2.22 0.00 0.00 0.00 176.54 175.20 1yce h ILE 69 N 0.85 1.26 -0.27 2.60 1.08 -1.05 -2.32 117.51 119.66 1yce h ILE 69 Ca 0.12 -1.08 0.01 0.00 -0.39 0.00 0.00 64.86 63.51 1yce h ILE 69 Cb 0.76 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 1yce h ILE 69 CO 0.06 0.38 0.16 1.88 -0.69 0.00 0.00 178.15 179.94 1yce h TYR 70 N 0.77 0.30 -0.25 1.37 0.05 -1.14 0.50 116.97 118.57 1yce h TYR 70 Ca 0.15 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.96 1yce h TYR 70 Cb 0.52 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 1yce h TYR 70 CO 0.04 0.18 0.10 0.77 -1.05 0.00 0.00 178.16 178.20 1yce h SER 71 N 0.33 0.13 -0.97 3.88 0.02 -1.49 -1.56 113.55 113.89 1yce h SER 71 Ca 0.10 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.16 1yce h SER 71 Cb -0.01 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.46 1yce h SER 71 CO -0.04 0.11 0.62 0.25 -1.14 0.00 0.00 176.83 176.62 1yce h LEU 72 N 0.23 0.95 -0.33 5.07 5.85 -0.91 0.33 115.31 126.50 1yce h LEU 72 Ca 0.11 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.79 1yce h LEU 72 Cb 0.06 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1yce h LEU 72 CO -0.10 0.57 -0.04 0.58 -0.34 0.00 0.00 178.44 179.12 1yce h VAL 73 N 1.07 1.27 -0.53 1.05 2.07 -0.49 -1.20 116.25 119.50 1yce h VAL 73 Ca 0.44 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1yce h VAL 73 Cb 0.28 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1yce h VAL 73 CO -0.21 0.34 0.33 0.40 0.02 0.00 0.00 177.57 178.46 1yce h ILE 74 N 0.40 1.15 -0.66 4.57 1.08 -0.72 -0.73 117.51 122.60 1yce h ILE 74 Ca 0.09 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1yce h ILE 74 Cb 0.51 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.63 1yce h ILE 74 CO 0.02 0.15 0.40 0.00 -0.69 0.00 0.00 178.15 178.03 1yce h ALA 75 N 1.17 0.84 0.00 1.87 0.00 -0.82 -1.96 119.26 120.36 1yce h ALA 75 Ca 0.19 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1yce h ALA 75 Cb -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1yce h ALA 75 CO -0.04 0.31 -0.52 -0.07 0.00 0.00 0.00 179.25 178.94 1yce h LEU 76 N 0.89 0.00 0.16 0.00 3.38 -0.86 -1.72 115.31 117.16 1yce h LEU 76 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1yce h LEU 76 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1yce h LEU 76 CO -0.04 0.52 -0.08 0.40 0.09 0.00 0.00 178.44 179.33 1yce h ILE 77 N 0.00 0.96 -0.87 1.22 2.04 -0.96 -0.10 117.51 119.79 1yce h ILE 77 Ca -0.01 -0.58 0.08 0.00 1.00 0.00 0.00 64.86 65.36 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 0.07 0.13 0.57 -0.07 0.00 0.00 0.00 178.15 178.85 1yce h LEU 78 N -0.50 0.81 0.17 1.44 3.38 -1.20 0.20 115.31 119.61 1yce h LEU 78 Ca -0.02 0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.65 1yce h LEU 78 Cb 0.38 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1yce h LEU 78 CO 0.04 0.50 -1.47 -0.07 0.09 0.00 0.00 178.44 177.53 1yce h LEU 79 N 0.91 0.56 0.00 1.67 3.38 -1.31 -3.39 115.31 117.14 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 0.32 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1yce h LEU 79 CO -0.16 1.55 -0.60 -1.22 0.09 0.00 0.00 178.44 178.11 1yce n TYR 80 N -3.57 0.00 -2.91 1.13 4.02 -0.05 -4.74 117.16 111.04 1yce n TYR 80 Ca -0.16 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.60 1yce n TYR 80 Cb 1.06 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 2.79 -1.94 -0.72 0.00 -0.00 -5.02 120.51 114.33 1yce n ALA 81 Ca 0.00 -3.30 -0.42 0.00 0.00 0.00 0.00 53.44 49.72 1yce n ALA 81 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 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 -2.81 6.57 0.01 0.00 3.84 -0.85 -4.67 114.94 117.03 1yce s ASN 82 Ca 0.34 2.25 0.28 0.00 0.21 0.00 0.00 52.86 55.94 1yce s ASN 82 Cb 0.40 -2.53 1.10 0.00 -0.55 0.00 0.00 41.25 39.68 1yce s ASN 82 CO -0.02 -1.01 1.84 -0.81 -2.79 0.00 0.00 177.10 174.31 1yce n PRO 83 N 7.30 0.02 0.05 0.43 -0.04 -1.26 -4.05 135.00 137.44 1yce n PRO 83 Ca 0.18 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.44 1yce n PRO 83 Cb 0.43 -1.52 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 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 0.60 -0.42 0.54 0.05 -1.98 -3.37 116.94 112.36 1yce h PHE 84 Ca 0.00 -0.44 0.11 0.00 3.82 0.00 0.00 57.97 61.46 1yce h PHE 84 Cb 0.51 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.42 1yce h PHE 84 CO 0.00 1.68 0.30 -0.39 -0.18 0.00 0.00 178.31 179.71 1yce h VAL 85 N 0.09 0.83 0.00 -0.55 -1.51 -1.98 -1.02 116.25 112.12 1yce h VAL 85 Ca -0.36 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.04 1yce h VAL 85 Cb 2.07 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 31.96 1yce h VAL 85 CO 0.14 0.02 -0.18 1.23 -1.23 0.00 0.00 177.57 177.55 1yce h GLY 86 N 0.08 0.00 1.91 5.19 0.00 -1.80 -3.17 103.07 105.29 1yce h GLY 86 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 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 -3.16 0.00 -4.71 3.11 4.77 -0.39 -4.84 117.00 111.79 1yce n LEU 87 Ca 0.03 0.45 -0.41 0.00 -0.03 0.00 0.00 56.01 56.06 1yce n LEU 87 Cb 0.58 -0.45 -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 -2.91 4.31 0.00 2.23 1.43 -1.20 -5.14 118.68 117.40 1yce s LEU 88 Ca 0.14 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1yce s LEU 88 Cb 0.16 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 43.08 1yce s LEU 88 CO 0.43 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.39