#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 5.15 0.15 6.12 1.47 -1.26 -4.98 116.67 123.33 1yce s ASP 2 Ca 0.00 0.69 0.04 0.00 1.18 0.00 0.00 52.55 54.46 1yce s ASP 2 Cb 0.00 -1.47 -0.06 0.00 -0.34 0.00 0.00 42.92 41.06 1yce s ASP 2 CO 0.00 -1.40 1.35 -0.03 0.68 0.00 0.00 175.17 175.76 1yce h MET 3 N -0.51 0.13 -0.54 2.11 1.85 -2.03 -2.36 114.93 113.58 1yce h MET 3 Ca -0.45 -0.17 -0.11 0.00 -0.61 0.00 0.00 59.70 58.37 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 0.96 -0.08 1.25 -0.40 0.00 0.00 176.91 179.26 1yce h LEU 4 N 0.07 0.98 -0.57 3.39 5.85 -1.99 -1.64 115.31 121.38 1yce h LEU 4 Ca -0.04 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1yce h LEU 4 Cb 1.59 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 1yce h LEU 4 CO 0.14 1.07 0.21 0.15 -0.34 0.00 0.00 178.44 179.67 1yce h PHE 5 N 0.88 0.90 0.05 1.25 -0.00 -1.93 -0.96 116.94 117.13 1yce h PHE 5 Ca 0.14 -0.08 -0.00 0.00 -0.00 0.00 0.00 57.97 58.03 1yce h PHE 5 Cb 0.63 -0.26 0.00 0.00 -0.00 0.00 0.00 35.95 36.31 1yce h PHE 5 CO 0.04 0.74 -0.02 0.00 -0.00 0.00 0.00 178.31 179.06 1yce h ALA 6 N 1.06 -0.06 -0.54 2.41 0.00 -1.13 -2.12 119.26 118.88 1yce h ALA 6 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 6 Cb 0.24 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1yce h ALA 6 CO -0.01 -0.52 0.29 0.87 0.00 0.00 0.00 179.25 179.88 1yce h LYS 7 N -0.09 0.75 -0.36 0.00 1.57 -1.30 -2.55 116.57 114.59 1yce h LYS 7 Ca -0.01 -0.09 0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1yce h LYS 7 Cb 0.08 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.17 1yce h LYS 7 CO 0.01 0.59 -0.10 1.15 -0.57 0.00 0.00 179.45 180.53 1yce h THR 8 N 0.72 0.62 -0.03 -0.16 2.02 -0.97 -0.12 112.91 114.99 1yce h THR 8 Ca 0.19 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.21 1yce h THR 8 Cb 0.06 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1yce h THR 8 CO -0.03 0.00 -0.71 -0.37 0.37 0.00 0.00 175.52 174.78 1yce h VAL 9 N -0.02 1.45 -0.32 3.16 -1.51 -1.27 -1.40 116.25 116.34 1yce h VAL 9 Ca 0.17 -2.29 -0.11 0.00 -1.23 0.00 0.00 66.70 63.25 1yce h VAL 9 Cb 0.28 2.22 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 1yce h VAL 9 CO -0.38 0.67 -0.23 0.58 -1.23 0.00 0.00 177.57 176.98 1yce h VAL 10 N 0.11 1.29 -0.40 7.19 2.07 -1.21 -2.24 116.25 123.06 1yce h VAL 10 Ca -0.02 -1.37 -0.16 0.00 0.82 0.00 0.00 66.70 65.97 1yce h VAL 10 Cb 1.26 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1yce h VAL 10 CO 0.11 0.45 -0.37 -0.07 0.02 0.00 0.00 177.57 177.71 1yce h LEU 11 N 0.50 1.02 -0.71 2.57 3.38 -1.01 -1.67 115.31 119.38 1yce h LEU 11 Ca 0.06 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.62 1yce h LEU 11 Cb 0.79 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 1yce h LEU 11 CO 0.06 1.26 0.43 0.00 0.09 0.00 0.00 178.44 180.29 1yce h ALA 12 N 0.79 0.94 -0.41 1.53 0.00 -1.24 -1.57 119.26 119.29 1yce h ALA 12 Ca 0.07 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1yce h ALA 12 Cb 0.96 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1yce h ALA 12 CO 0.09 0.18 -0.08 0.00 0.00 0.00 0.00 179.25 179.44 1yce h ALA 13 N 1.32 1.09 -0.77 0.00 0.00 -1.35 -2.70 119.26 116.86 1yce h ALA 13 Ca 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1yce h ALA 13 Cb 0.07 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1yce h ALA 13 CO -0.13 0.56 0.41 0.77 0.00 0.00 0.00 179.25 180.87 1yce h SER 14 N 0.65 0.97 -0.34 0.00 0.02 -0.88 0.01 113.55 113.97 1yce h SER 14 Ca 0.12 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1yce h SER 14 Cb 0.53 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1yce h SER 14 CO 0.03 0.80 0.23 0.00 -1.14 0.00 0.00 176.83 176.74 1yce h ALA 15 N 1.21 0.44 -0.52 3.77 0.00 -1.13 -0.44 119.26 122.59 1yce h ALA 15 Ca 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1yce h ALA 15 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1yce h ALA 15 CO -0.04 -0.10 0.20 0.28 0.00 0.00 0.00 179.25 179.59 1yce h VAL 16 N 0.47 1.22 -0.67 0.00 2.07 -1.33 -2.60 116.25 115.40 1yce h VAL 16 Ca 0.13 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1yce h VAL 16 Cb -0.05 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1yce h VAL 16 CO -0.03 0.26 0.38 1.23 0.02 0.00 0.00 177.57 179.43 1yce h GLY 17 N 0.70 1.00 0.87 2.17 0.00 -0.83 -1.89 103.07 105.09 1yce h GLY 17 Ca 0.17 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1yce h GLY 17 CO -0.01 0.43 0.02 0.00 0.00 0.00 0.00 176.54 176.97 1yce h ALA 18 N 1.19 0.06 -0.78 3.60 0.00 -1.00 -1.87 119.26 120.46 1yce h ALA 18 Ca 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1yce h ALA 18 Cb 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1yce h ALA 18 CO -0.04 -0.37 0.41 0.78 0.00 0.00 0.00 179.25 180.03 1yce h GLY 19 N -0.07 1.17 0.97 0.00 0.00 -1.39 -2.79 103.07 100.96 1yce h GLY 19 Ca 0.02 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 1yce h GLY 19 CO -0.00 0.51 0.15 -0.84 0.00 0.00 0.00 176.54 176.36 1yce h THR 20 N 1.10 1.23 -0.84 4.70 2.02 -1.21 -2.88 112.91 117.02 1yce h THR 20 Ca 0.27 -0.77 0.12 0.00 0.77 0.00 0.00 66.41 66.81 1yce h THR 20 Cb 0.05 0.80 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 1yce h THR 20 CO -0.04 0.28 0.54 0.00 0.37 0.00 0.00 175.52 176.67 1yce h ALA 21 N 1.01 1.83 0.00 6.16 0.00 -1.07 -2.10 119.26 125.08 1yce h ALA 21 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1yce h ALA 21 Cb 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1yce h ALA 21 CO -0.00 -0.03 0.00 -1.33 0.00 0.00 0.00 179.25 177.88 1yce n MET 22 N -4.53 0.10 0.25 0.00 2.81 -1.09 -2.44 117.12 112.22 1yce n MET 22 Ca 0.15 0.38 0.11 0.00 -1.81 0.00 0.00 57.70 56.53 1yce n MET 22 Cb 0.41 -1.70 0.71 0.00 -0.71 0.00 0.00 33.22 31.93 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 0.86 -0.56 2.02 2.04 -1.46 -2.08 117.51 118.33 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 0.26 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1yce h ILE 23 CO 0.00 0.00 0.51 0.00 0.00 0.00 0.00 178.15 178.66 1yce h ALA 24 N 1.97 2.35 0.00 1.87 0.00 -1.69 -2.45 119.26 121.30 1yce h ALA 24 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yce h ALA 24 Cb 0.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1yce h ALA 24 CO -0.00 -0.80 0.08 0.41 0.00 0.00 0.00 179.25 178.94 1yce n GLY 25 N -1.56 -0.74 0.30 0.00 0.00 -0.78 -1.83 105.19 100.58 1yce n GLY 25 Ca 0.11 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 0.79 -0.61 2.04 -1.68 -3.24 117.51 115.99 1yce h ILE 26 Ca 0.00 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 1yce h ILE 26 Cb 0.17 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1yce h ILE 26 CO 0.00 0.19 -0.38 1.23 0.00 0.00 0.00 178.15 179.19 1yce h GLY 27 N 1.03 -1.11 0.36 5.37 0.00 -1.62 -2.54 103.07 104.57 1yce h GLY 27 Ca 0.29 0.41 0.15 0.00 0.00 0.00 0.00 47.33 48.18 1yce h GLY 27 CO -0.07 -0.40 0.61 -2.55 0.00 0.00 0.00 176.54 174.13 1yce h PRO 28 N -1.16 0.80 -0.75 4.80 0.11 -1.75 -1.51 132.00 132.54 1yce h PRO 28 Ca -0.11 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.95 1yce h PRO 28 Cb 0.83 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.72 1yce h PRO 28 CO 0.18 0.53 0.46 0.78 -0.21 0.00 0.00 178.00 179.74 1yce h GLY 29 N 0.83 1.09 0.68 -0.55 0.00 -1.54 -0.02 103.07 103.57 1yce h GLY 29 Ca 0.51 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.37 1yce h GLY 29 CO -0.28 0.44 -0.18 -2.08 0.00 0.00 0.00 176.54 174.43 1yce h VAL 30 N 1.03 0.57 -0.39 4.60 2.07 -1.01 -2.80 116.25 120.33 1yce h VAL 30 Ca 0.27 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1yce h VAL 30 Cb -0.04 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1yce h VAL 30 CO -0.05 0.09 0.06 1.23 0.02 0.00 0.00 177.57 178.92 1yce h GLY 31 N -0.83 0.69 1.83 2.17 0.00 -1.26 -2.40 103.07 103.28 1yce h GLY 31 Ca -0.05 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.73 1yce h GLY 31 CO 0.08 0.43 -0.35 1.46 0.00 0.00 0.00 176.54 178.17 1yce h GLN 32 N 0.49 0.20 -0.34 4.80 4.20 -1.12 -2.18 115.11 121.16 1yce h GLN 32 Ca 0.12 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.61 1yce h GLN 32 Cb 0.37 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1yce h GLN 32 CO 0.01 0.52 -0.36 0.78 -0.67 0.00 0.00 178.83 179.11 1yce h GLY 33 N 1.11 0.85 0.75 3.46 0.00 -1.31 -1.19 103.07 106.74 1yce h GLY 33 Ca 0.02 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1yce h GLY 33 CO 0.05 0.76 -0.21 -1.82 0.00 0.00 0.00 176.54 175.31 1yce h TYR 34 N 0.65 -0.56 -0.88 5.60 3.20 -1.20 -1.42 116.97 122.36 1yce h TYR 34 Ca 0.06 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.03 1yce h TYR 34 Cb 0.91 0.22 -0.06 0.00 1.54 0.00 0.00 36.73 39.34 1yce h TYR 34 CO 0.05 -0.32 0.57 0.00 -1.64 0.00 0.00 178.16 176.82 1yce h ALA 35 N 0.26 1.63 -0.70 1.82 0.00 -1.21 -1.17 119.26 119.89 1yce h ALA 35 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1yce h ALA 35 Cb 0.43 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1yce h ALA 35 CO -0.05 0.19 0.17 0.00 0.00 0.00 0.00 179.25 179.57 1yce h ALA 36 N 1.56 0.98 -0.46 0.00 0.00 -0.98 -1.73 119.26 118.63 1yce h ALA 36 Ca 0.40 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1yce h ALA 36 Cb 0.38 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1yce h ALA 36 CO -0.17 0.66 0.16 0.78 0.00 0.00 0.00 179.25 180.68 1yce h GLY 37 N 1.08 0.76 1.25 0.00 0.00 -0.13 -1.59 103.07 104.45 1yce h GLY 37 Ca 0.22 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1yce h GLY 37 CO 0.00 0.41 0.17 0.50 0.00 0.00 0.00 176.54 177.62 1yce h LYS 38 N 0.61 0.94 -0.76 4.80 1.79 -1.22 -2.51 116.57 120.20 1yce h LYS 38 Ca 0.15 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1yce h LYS 38 Cb 0.24 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 1yce h LYS 38 CO -0.01 0.82 0.31 0.00 -1.08 0.00 0.00 179.45 179.49 1yce h ALA 39 N 1.28 1.11 -0.40 3.86 0.00 -1.05 -2.11 119.26 121.94 1yce h ALA 39 Ca 0.20 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1yce h ALA 39 Cb 0.29 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1yce h ALA 39 CO -0.00 0.64 0.18 0.28 0.00 0.00 0.00 179.25 180.34 1yce h VAL 40 N 1.10 1.18 -0.51 0.00 2.07 -1.09 -1.74 116.25 117.27 1yce h VAL 40 Ca 0.26 -0.54 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 1yce h VAL 40 Cb 0.20 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 1yce h VAL 40 CO -0.02 0.20 0.00 -0.08 0.02 0.00 0.00 177.57 177.69 1yce h GLU 41 N 0.51 0.90 0.19 1.57 4.81 -1.33 -3.09 114.58 118.12 1yce h GLU 41 Ca 0.14 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1yce h GLU 41 Cb 0.15 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1yce h GLU 41 CO -0.01 0.92 -0.09 0.77 -0.73 0.00 0.00 179.01 179.87 1yce h SER 42 N 0.77 -0.21 -0.05 1.04 0.02 -1.35 -2.65 113.55 111.11 1yce h SER 42 Ca 0.14 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1yce h SER 42 Cb 0.52 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 1yce h SER 42 CO 0.03 -0.08 0.04 -0.37 -1.14 0.00 0.00 176.83 175.30 1yce h VAL 43 N -0.33 1.00 -0.19 2.27 -1.51 -1.32 0.21 116.25 116.39 1yce h VAL 43 Ca -0.03 -0.02 -0.04 0.00 -1.23 0.00 0.00 66.70 65.38 1yce h VAL 43 Cb 0.26 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 1yce h VAL 43 CO 0.04 0.01 -0.06 0.00 -1.23 0.00 0.00 177.57 176.33 1yce h ALA 44 N 1.97 0.26 -0.01 5.19 0.00 -1.54 -2.46 119.26 122.66 1yce h ALA 44 Ca 0.02 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.48 1yce h ALA 44 Cb 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1yce h ALA 44 CO -0.00 0.04 -0.85 0.00 0.00 0.00 0.00 179.25 178.44 1yce h ARG 45 N 0.07 0.28 -1.84 0.00 3.08 -1.07 -3.41 114.38 111.48 1yce h ARG 45 Ca 0.05 -0.28 -0.53 0.00 0.07 0.00 0.00 59.98 59.29 1yce h ARG 45 Cb 0.51 0.07 -0.37 0.00 0.08 0.00 0.00 29.97 30.27 1yce h ARG 45 CO 0.02 0.97 -1.05 1.04 -1.07 0.00 0.00 179.97 179.88 1yce n GLN 46 N -3.72 0.70 0.24 0.04 6.02 0.70 -4.99 117.38 116.37 1yce n GLN 46 Ca -0.04 -3.09 0.11 0.00 -0.01 0.00 0.00 57.00 53.96 1yce n GLN 46 Cb 0.78 -1.25 0.63 0.00 1.02 0.00 0.00 30.24 31.42 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 4.06 0.00 0.00 -1.09 0.13 -1.64 0.65 132.00 134.11 1yce h PRO 47 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1yce h PRO 47 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1yce h PRO 47 CO 0.44 0.17 0.00 -0.85 -0.23 0.00 0.00 178.00 177.54 1yce n GLU 48 N -3.70 0.43 -0.25 0.86 0.00 -1.26 -2.47 120.64 114.25 1yce n GLU 48 Ca -0.02 0.01 0.08 0.00 0.00 0.00 0.00 57.16 57.23 1yce n GLU 48 Cb 0.29 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.44 1yce n GLU 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1yce n ALA 49 N -1.01 2.26 -0.24 -1.84 0.00 0.22 -4.79 120.51 115.11 1yce n ALA 49 Ca 0.10 -1.22 0.02 0.00 0.00 0.00 0.00 53.44 52.34 1yce n ALA 49 Cb 0.05 -0.60 0.14 0.00 0.00 0.00 0.00 19.45 19.04 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 2.78 0.52 0.46 0.00 3.64 -1.62 0.20 116.57 122.55 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 0.83 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1yce h LYS 50 CO 0.01 0.34 -0.36 0.78 -2.27 0.00 0.00 179.45 177.95 1yce h GLY 51 N 0.54 -0.89 0.69 5.01 0.00 -1.86 -0.95 103.07 105.60 1yce h GLY 51 Ca 0.35 0.40 0.06 0.00 0.00 0.00 0.00 47.33 48.14 1yce h GLY 51 CO -0.30 -0.32 0.38 -0.55 0.00 0.00 0.00 176.54 175.76 1yce h ASP 52 N -0.81 0.57 0.27 0.19 3.32 -1.82 -1.36 116.42 116.79 1yce h ASP 52 Ca -0.05 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1yce h ASP 52 Cb 0.69 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1yce h ASP 52 CO -0.00 0.37 -0.24 0.40 -1.72 0.00 0.00 179.24 178.05 1yce h ILE 53 N 0.70 0.49 -0.39 0.35 2.04 -0.32 -0.22 117.51 120.16 1yce h ILE 53 Ca 0.30 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 66.01 1yce h ILE 53 Cb 0.18 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1yce h ILE 53 CO -0.18 0.00 -0.36 0.40 0.00 0.00 0.00 178.15 178.01 1yce h ILE 54 N -0.53 1.27 -0.55 -0.67 2.04 -1.21 -0.13 117.51 117.73 1yce h ILE 54 Ca -0.01 -1.54 -0.11 0.00 1.00 0.00 0.00 64.86 64.21 1yce h ILE 54 Cb 0.47 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.91 1yce h ILE 54 CO -0.03 0.51 -0.07 0.77 0.00 0.00 0.00 178.15 179.33 1yce h SER 55 N 0.75 1.01 -0.54 1.72 4.64 -1.23 -1.48 113.55 118.42 1yce h SER 55 Ca 0.06 -0.31 -0.12 0.00 -0.47 0.00 0.00 61.79 60.95 1yce h SER 55 Cb 0.96 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1yce h SER 55 CO 0.09 1.10 -0.13 0.74 -0.87 0.00 0.00 176.83 177.76 1yce h THR 56 N 0.91 1.27 -0.12 2.95 2.02 -0.95 -2.04 112.91 116.94 1yce h THR 56 Ca 0.15 -1.29 0.00 0.00 0.77 0.00 0.00 66.41 66.04 1yce h THR 56 Cb 0.63 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1yce h THR 56 CO 0.04 0.46 0.08 -0.03 0.37 0.00 0.00 175.52 176.44 1yce h MET 57 N 0.91 0.16 -0.52 6.66 -1.53 -0.80 -1.92 114.93 117.89 1yce h MET 57 Ca 0.14 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.34 1yce h MET 57 Cb 0.71 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.70 1yce h MET 57 CO 0.05 0.11 0.15 0.28 0.14 0.00 0.00 176.91 177.64 1yce h VAL 58 N 0.16 1.24 -0.01 -5.77 2.07 -1.25 -0.33 116.25 112.36 1yce h VAL 58 Ca 0.04 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.75 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 0.30 0.00 0.25 0.02 0.00 0.00 177.57 178.13 1yce h LEU 59 N 0.72 0.01 -0.67 2.57 6.46 -1.24 -0.44 115.31 122.72 1yce h LEU 59 Ca 0.17 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.79 1yce h LEU 59 Cb 0.30 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.22 1yce h LEU 59 CO -0.00 0.02 -0.30 1.23 -0.62 0.00 0.00 178.44 178.76 1yce h GLY 60 N -0.00 0.76 1.06 3.75 0.00 -1.28 -2.42 103.07 104.93 1yce h GLY 60 Ca 0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 47.33 46.56 1yce h GLY 60 CO -0.00 0.63 0.11 1.46 0.00 0.00 0.00 176.54 178.75 1yce h GLN 61 N 0.60 1.08 -0.55 4.80 4.20 -1.02 -2.65 115.11 121.57 1yce h GLN 61 Ca 0.07 -0.28 0.04 0.00 0.06 0.00 0.00 58.65 58.54 1yce h GLN 61 Cb 0.81 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.42 1yce h GLN 61 CO 0.07 0.99 0.29 0.00 -0.67 0.00 0.00 178.83 179.51 1yce h ALA 62 N 1.04 0.71 -0.57 3.87 0.00 -0.78 -1.70 119.26 121.83 1yce h ALA 62 Ca 0.20 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1yce h ALA 62 Cb 0.43 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1yce h ALA 62 CO 0.01 -0.03 0.37 0.28 0.00 0.00 0.00 179.25 179.88 1yce h VAL 63 N 0.57 1.13 0.00 0.00 2.07 -1.37 -2.21 116.25 116.44 1yce h VAL 63 Ca 0.24 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1yce h VAL 63 Cb 0.12 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1yce h VAL 63 CO -0.15 0.14 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 -1.04 -2.86 119.26 119.25 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 17.71 1yce h ALA 64 CO -0.06 0.00 -0.39 1.49 0.00 0.00 0.00 179.25 180.29 1yce h GLU 65 N 0.00 0.00 -0.92 0.00 4.57 -0.67 -3.40 114.58 114.16 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 0.39 0.56 0.66 -1.18 0.00 0.00 179.01 179.44 1yce h SER 66 N 0.00 0.80 1.10 1.04 4.64 -1.56 -1.05 113.55 118.53 1yce h SER 66 Ca -0.00 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 1yce h SER 66 Cb 1.17 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.15 1yce h SER 66 CO 0.05 0.43 -0.28 0.71 -0.87 0.00 0.00 176.83 176.87 1yce h THR 67 N 0.89 0.62 -0.42 2.95 1.35 -1.83 -0.87 112.91 115.59 1yce h THR 67 Ca 0.46 -1.39 -0.13 0.00 -0.55 0.00 0.00 66.41 64.80 1yce h THR 67 Cb 0.45 1.94 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 1yce h THR 67 CO -0.27 0.28 -0.27 1.23 -0.25 0.00 0.00 175.52 176.25 1yce h GLY 68 N 2.49 0.97 1.01 5.82 0.00 -1.48 -2.67 103.07 109.22 1yce h GLY 68 Ca -0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 47.33 46.36 1yce h GLY 68 CO 0.04 0.81 -0.01 -2.22 0.00 0.00 0.00 176.54 175.16 1yce h ILE 69 N 0.77 1.26 -0.25 2.60 1.08 -1.05 -2.41 117.51 119.50 1yce h ILE 69 Ca 0.09 -1.09 0.01 0.00 -0.39 0.00 0.00 64.86 63.49 1yce h ILE 69 Cb 0.83 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 35.54 1yce h ILE 69 CO 0.07 0.38 0.13 1.88 -0.69 0.00 0.00 178.15 179.92 1yce h TYR 70 N 0.74 0.24 -0.34 1.37 0.05 -1.14 0.59 116.97 118.48 1yce h TYR 70 Ca 0.14 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.95 1yce h TYR 70 Cb 0.53 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 1yce h TYR 70 CO 0.04 0.14 0.17 0.77 -1.05 0.00 0.00 178.16 178.23 1yce h SER 71 N 0.27 0.25 -1.00 3.88 0.02 -1.50 -1.61 113.55 113.87 1yce h SER 71 Ca 0.10 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1yce h SER 71 Cb 0.02 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.46 1yce h SER 71 CO -0.06 0.19 0.65 0.25 -1.14 0.00 0.00 176.83 176.71 1yce h LEU 72 N 0.35 1.04 -0.34 5.07 5.85 -0.91 0.25 115.31 126.63 1yce h LEU 72 Ca 0.14 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1yce h LEU 72 Cb 0.05 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1yce h LEU 72 CO -0.10 0.67 0.02 0.58 -0.34 0.00 0.00 178.44 179.28 1yce h VAL 73 N 1.19 1.25 -0.55 1.05 2.07 -0.47 -1.29 116.25 119.50 1yce h VAL 73 Ca 0.43 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1yce h VAL 73 Cb 0.14 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1yce h VAL 73 CO -0.16 0.30 0.34 0.40 0.02 0.00 0.00 177.57 178.47 1yce h ILE 74 N 0.40 1.16 -0.64 4.57 1.08 -0.70 -0.56 117.51 122.82 1yce h ILE 74 Ca 0.10 -0.34 -0.01 0.00 -0.39 0.00 0.00 64.86 64.22 1yce h ILE 74 Cb 0.41 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 1yce h ILE 74 CO 0.01 0.16 0.36 0.00 -0.69 0.00 0.00 178.15 177.99 1yce h ALA 75 N 1.17 0.81 0.00 1.87 0.00 -0.83 -2.05 119.26 120.23 1yce h ALA 75 Ca 0.20 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1yce h ALA 75 Cb -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1yce h ALA 75 CO -0.04 0.32 -0.54 -0.07 0.00 0.00 0.00 179.25 178.92 1yce h LEU 76 N 0.87 0.00 0.19 0.00 3.38 -0.86 -1.72 115.31 117.16 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 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1yce h LEU 76 CO -0.04 0.54 -0.09 0.40 0.09 0.00 0.00 178.44 179.34 1yce h ILE 77 N 0.00 0.91 -0.85 1.22 2.04 -0.93 -0.27 117.51 119.62 1yce h ILE 77 Ca -0.01 -0.50 0.08 0.00 1.00 0.00 0.00 64.86 65.44 1yce h ILE 77 Cb 1.03 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 1yce h ILE 77 CO 0.07 0.11 0.55 -0.07 0.00 0.00 0.00 178.15 178.82 1yce h LEU 78 N -0.50 0.78 0.17 1.44 3.38 -1.20 0.69 115.31 120.06 1yce h LEU 78 Ca -0.03 0.02 -0.31 0.00 0.09 0.00 0.00 57.88 57.65 1yce h LEU 78 Cb 0.38 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1yce h LEU 78 CO 0.04 0.47 -1.49 -0.07 0.09 0.00 0.00 178.44 177.49 1yce h LEU 79 N 0.87 0.55 0.00 1.67 3.38 -1.30 -3.39 115.31 117.09 1yce h LEU 79 Ca 0.38 -0.67 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 -0.15 1.55 -0.72 -1.22 0.09 0.00 0.00 178.44 177.98 1yce n TYR 80 N -3.56 0.00 -2.91 1.13 4.02 -0.12 -4.74 117.16 110.99 1yce n TYR 80 Ca -0.16 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.60 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 2.78 -1.96 -0.72 0.00 0.17 -5.02 120.51 114.40 1yce n ALA 81 Ca -0.00 -3.27 -0.42 0.00 0.00 0.00 0.00 53.44 49.74 1yce n ALA 81 Cb 0.02 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 6.63 0.00 0.00 3.84 -0.81 -4.68 114.94 117.12 1yce s ASN 82 Ca 0.33 2.29 0.28 0.00 0.21 0.00 0.00 52.86 55.97 1yce s ASN 82 Cb 0.41 -2.53 1.14 0.00 -0.55 0.00 0.00 41.25 39.71 1yce s ASN 82 CO -0.02 -0.95 1.86 -0.81 -2.79 0.00 0.00 177.10 174.39 1yce n PRO 83 N 7.20 0.00 0.04 0.43 -0.04 -1.26 -4.04 135.00 137.34 1yce n PRO 83 Ca 0.18 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.43 1yce n PRO 83 Cb 0.43 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 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 0.56 -0.39 0.54 0.05 -1.98 -3.37 116.94 112.35 1yce h PHE 84 Ca 0.00 -0.41 0.10 0.00 3.82 0.00 0.00 57.97 61.48 1yce h PHE 84 Cb 0.50 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.41 1yce h PHE 84 CO 0.00 1.68 0.28 -0.39 -0.18 0.00 0.00 178.31 179.69 1yce h VAL 85 N 0.08 0.83 0.00 -0.55 -1.51 -1.98 -1.03 116.25 112.10 1yce h VAL 85 Ca -0.37 -0.02 -0.03 0.00 -1.23 0.00 0.00 66.70 65.05 1yce h VAL 85 Cb 2.06 0.78 -0.00 0.00 -2.13 0.00 0.00 31.29 31.99 1yce h VAL 85 CO 0.13 0.01 -0.14 1.23 -1.23 0.00 0.00 177.57 177.58 1yce h GLY 86 N 0.05 0.00 1.91 5.19 0.00 -1.79 -3.18 103.07 105.24 1yce h GLY 86 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1yce h GLY 86 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.57 1yce n LEU 87 N -3.13 0.00 -4.71 3.11 4.77 -0.39 -4.84 117.00 111.81 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 0.54 -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 1.36 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 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.39