#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 5.11 0.15 6.12 1.47 -1.26 -4.98 116.67 123.27 1yce s ASP 2 Ca 0.00 0.72 0.03 0.00 1.18 0.00 0.00 52.55 54.47 1yce s ASP 2 Cb 0.00 -1.47 -0.07 0.00 -0.34 0.00 0.00 42.92 41.04 1yce s ASP 2 CO 0.00 -1.45 1.33 -0.03 0.68 0.00 0.00 175.17 175.71 1yce h MET 3 N -0.57 0.16 -0.56 2.11 1.85 -2.03 -2.36 114.93 113.54 1yce h MET 3 Ca -0.45 -0.20 -0.11 0.00 -0.61 0.00 0.00 59.70 58.33 1yce h MET 3 Cb 1.29 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 33.36 1yce h MET 3 CO 0.62 0.99 -0.07 1.25 -0.40 0.00 0.00 176.91 179.30 1yce h LEU 4 N 0.08 1.01 -0.57 3.39 5.85 -1.99 -1.65 115.31 121.43 1yce h LEU 4 Ca -0.05 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 1yce h LEU 4 Cb 1.61 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1yce h LEU 4 CO 0.14 1.09 0.25 0.15 -0.34 0.00 0.00 178.44 179.73 1yce h PHE 5 N 0.91 0.85 0.06 1.25 -0.00 -1.94 -0.85 116.94 117.22 1yce h PHE 5 Ca 0.15 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.97 58.06 1yce h PHE 5 Cb 0.62 -0.26 0.00 0.00 -0.00 0.00 0.00 35.95 36.31 1yce h PHE 5 CO 0.04 0.67 -0.03 0.00 -0.00 0.00 0.00 178.31 179.00 1yce h ALA 6 N 1.09 -0.08 -0.46 2.41 0.00 -1.12 -2.09 119.26 119.01 1yce h ALA 6 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1yce h ALA 6 Cb 0.17 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1yce h ALA 6 CO -0.02 -0.54 0.27 0.87 0.00 0.00 0.00 179.25 179.83 1yce h LYS 7 N -0.09 0.63 -0.40 0.00 1.57 -1.29 -2.53 116.57 114.47 1yce h LYS 7 Ca -0.01 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1yce h LYS 7 Cb 0.07 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.17 1yce h LYS 7 CO 0.01 0.48 -0.08 1.15 -0.57 0.00 0.00 179.45 180.44 1yce h THR 8 N 0.61 0.62 -0.03 -0.16 2.02 -0.93 -0.28 112.91 114.75 1yce h THR 8 Ca 0.16 -0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.17 1yce h THR 8 Cb 0.02 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1yce h THR 8 CO -0.03 0.00 -0.73 -0.37 0.37 0.00 0.00 175.52 174.76 1yce h VAL 9 N 0.01 1.44 -0.38 3.16 -1.51 -1.26 -1.28 116.25 116.44 1yce h VAL 9 Ca 0.19 -2.30 -0.10 0.00 -1.23 0.00 0.00 66.70 63.26 1yce h VAL 9 Cb 0.29 2.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.67 1yce h VAL 9 CO -0.40 0.67 -0.15 0.58 -1.23 0.00 0.00 177.57 177.04 1yce h VAL 10 N 0.13 1.28 -0.28 7.19 2.07 -1.22 -2.24 116.25 123.19 1yce h VAL 10 Ca -0.02 -1.27 -0.19 0.00 0.82 0.00 0.00 66.70 66.04 1yce h VAL 10 Cb 1.29 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1yce h VAL 10 CO 0.11 0.42 -0.56 -0.07 0.02 0.00 0.00 177.57 177.50 1yce h LEU 11 N 0.58 0.94 -0.68 2.57 3.38 -1.04 -1.72 115.31 119.33 1yce h LEU 11 Ca 0.09 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.60 1yce h LEU 11 Cb 0.69 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1yce h LEU 11 CO 0.05 1.30 0.40 0.00 0.09 0.00 0.00 178.44 180.28 1yce h ALA 12 N 0.71 0.91 -0.41 1.53 0.00 -1.22 -1.56 119.26 119.22 1yce h ALA 12 Ca 0.01 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1yce h ALA 12 Cb 1.16 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1yce h ALA 12 CO 0.12 0.10 -0.09 0.00 0.00 0.00 0.00 179.25 179.38 1yce h ALA 13 N 1.34 1.07 -0.74 0.00 0.00 -1.34 -2.74 119.26 116.85 1yce h ALA 13 Ca 0.30 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1yce h ALA 13 Cb 0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1yce h ALA 13 CO -0.16 0.57 0.40 0.77 0.00 0.00 0.00 179.25 180.83 1yce h SER 14 N 0.65 0.94 -0.35 0.00 0.02 -0.91 0.18 113.55 114.08 1yce h SER 14 Ca 0.12 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1yce h SER 14 Cb 0.54 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1yce h SER 14 CO 0.03 0.77 0.22 0.00 -1.14 0.00 0.00 176.83 176.72 1yce h ALA 15 N 1.20 0.44 -0.55 3.77 0.00 -1.14 -0.24 119.26 122.75 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 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1yce h ALA 15 CO -0.04 -0.11 0.23 0.28 0.00 0.00 0.00 179.25 179.61 1yce h VAL 16 N 0.46 1.22 -0.60 0.00 2.07 -1.32 -2.62 116.25 115.45 1yce h VAL 16 Ca 0.13 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1yce h VAL 16 Cb -0.04 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1yce h VAL 16 CO -0.04 0.25 0.31 1.23 0.02 0.00 0.00 177.57 179.34 1yce h GLY 17 N 0.74 0.92 0.89 2.17 0.00 -0.77 -1.89 103.07 105.13 1yce h GLY 17 Ca 0.18 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1yce h GLY 17 CO -0.02 0.42 0.02 0.00 0.00 0.00 0.00 176.54 176.96 1yce h ALA 18 N 1.13 0.04 -0.80 3.60 0.00 -0.97 -1.93 119.26 120.34 1yce h ALA 18 Ca 0.21 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1yce h ALA 18 Cb 0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1yce h ALA 18 CO -0.03 -0.40 0.45 0.78 0.00 0.00 0.00 179.25 180.05 1yce h GLY 19 N -0.06 1.18 0.99 0.00 0.00 -1.40 -2.83 103.07 100.96 1yce h GLY 19 Ca 0.01 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 1yce h GLY 19 CO -0.00 0.50 0.15 -0.84 0.00 0.00 0.00 176.54 176.35 1yce h THR 20 N 1.12 1.24 -0.79 4.70 2.02 -1.21 -2.88 112.91 117.11 1yce h THR 20 Ca 0.28 -0.84 0.09 0.00 0.77 0.00 0.00 66.41 66.72 1yce h THR 20 Cb 0.01 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 1yce h THR 20 CO -0.05 0.31 0.51 0.00 0.37 0.00 0.00 175.52 176.67 1yce h ALA 21 N 1.02 1.76 0.00 6.16 0.00 -1.10 -2.08 119.26 125.02 1yce h ALA 21 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1yce h ALA 21 Cb 0.32 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1yce h ALA 21 CO -0.00 0.08 0.00 -1.33 0.00 0.00 0.00 179.25 178.00 1yce n MET 22 N -4.50 0.09 0.28 0.00 2.81 -1.09 -2.44 117.12 112.27 1yce n MET 22 Ca 0.13 0.36 0.11 0.00 -1.81 0.00 0.00 57.70 56.49 1yce n MET 22 Cb 0.32 -1.68 0.76 0.00 -0.71 0.00 0.00 33.22 31.92 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 0.77 -0.52 2.02 2.04 -1.46 -2.02 117.51 118.35 1yce h ILE 23 Ca 0.00 -0.06 0.15 0.00 1.00 0.00 0.00 64.86 65.95 1yce h ILE 23 Cb 0.26 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1yce h ILE 23 CO 0.00 0.02 0.50 0.00 0.00 0.00 0.00 178.15 178.67 1yce h ALA 24 N 1.98 2.29 0.00 1.87 0.00 -1.69 -2.51 119.26 121.20 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 0.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1yce h ALA 24 CO 0.00 -0.77 0.06 0.41 0.00 0.00 0.00 179.25 178.95 1yce n GLY 25 N -1.54 -0.72 0.29 0.00 0.00 -0.76 -1.84 105.19 100.62 1yce n GLY 25 Ca 0.10 0.14 -0.05 0.00 0.00 0.00 0.00 46.02 46.21 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 0.92 -0.61 2.04 -1.69 -3.24 117.51 116.13 1yce h ILE 26 Ca 0.00 -0.37 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 1yce h ILE 26 Cb 0.11 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1yce h ILE 26 CO 0.00 0.19 -0.44 1.23 0.00 0.00 0.00 178.15 179.13 1yce h GLY 27 N 1.01 -1.30 0.19 5.37 0.00 -1.62 -2.53 103.07 104.19 1yce h GLY 27 Ca 0.27 0.48 0.18 0.00 0.00 0.00 0.00 47.33 48.26 1yce h GLY 27 CO -0.06 -0.47 0.62 -2.55 0.00 0.00 0.00 176.54 174.08 1yce h PRO 28 N -1.32 0.79 -0.67 4.80 0.11 -1.75 -1.40 132.00 132.55 1yce h PRO 28 Ca -0.13 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.94 1yce h PRO 28 Cb 0.95 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.85 1yce h PRO 28 CO 0.21 0.52 0.45 0.78 -0.21 0.00 0.00 178.00 179.74 1yce h GLY 29 N 0.81 0.95 0.71 -0.55 0.00 -1.53 0.06 103.07 103.51 1yce h GLY 29 Ca 0.57 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.52 1yce h GLY 29 CO -0.36 0.35 -0.18 -2.08 0.00 0.00 0.00 176.54 174.27 1yce h VAL 30 N 0.91 0.59 -0.36 4.60 2.07 -0.99 -2.80 116.25 120.28 1yce h VAL 30 Ca 0.25 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 67.22 1yce h VAL 30 Cb -0.11 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1yce h VAL 30 CO -0.05 0.09 0.04 1.23 0.02 0.00 0.00 177.57 178.89 1yce h GLY 31 N -0.80 0.66 1.87 2.17 0.00 -1.24 -2.36 103.07 103.36 1yce h GLY 31 Ca -0.05 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 1yce h GLY 31 CO 0.08 0.42 -0.33 1.46 0.00 0.00 0.00 176.54 178.18 1yce h GLN 32 N 0.44 0.16 -0.38 4.80 4.20 -1.10 -2.14 115.11 121.08 1yce h GLN 32 Ca 0.11 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 1yce h GLN 32 Cb 0.40 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 1yce h GLN 32 CO 0.01 0.47 -0.31 0.78 -0.67 0.00 0.00 178.83 179.12 1yce h GLY 33 N 1.07 0.92 0.72 3.46 0.00 -1.30 -1.20 103.07 106.75 1yce h GLY 33 Ca 0.02 -0.87 0.00 0.00 0.00 0.00 0.00 47.33 46.49 1yce h GLY 33 CO 0.05 0.79 -0.23 -1.82 0.00 0.00 0.00 176.54 175.32 1yce h TYR 34 N 0.71 -0.61 -0.93 5.60 3.20 -1.17 -1.28 116.97 122.48 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 0.87 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.30 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 1.66 -0.63 1.82 0.00 -1.22 -0.99 119.26 120.10 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 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1yce h ALA 35 CO -0.06 0.12 0.11 0.00 0.00 0.00 0.00 179.25 179.42 1yce h ALA 36 N 1.56 0.99 -0.43 0.00 0.00 -0.96 -1.67 119.26 118.75 1yce h ALA 36 Ca 0.46 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1yce h ALA 36 Cb 0.54 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1yce h ALA 36 CO -0.22 0.64 0.13 0.78 0.00 0.00 0.00 179.25 180.58 1yce h GLY 37 N 1.04 0.73 1.25 0.00 0.00 -0.01 -1.71 103.07 104.37 1yce h GLY 37 Ca 0.19 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1yce h GLY 37 CO 0.01 0.41 0.21 0.50 0.00 0.00 0.00 176.54 177.67 1yce h LYS 38 N 0.56 0.95 -0.80 4.80 1.79 -1.21 -1.88 116.57 120.78 1yce h LYS 38 Ca 0.14 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1yce h LYS 38 Cb 0.28 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.74 1yce h LYS 38 CO -0.00 0.81 0.35 0.00 -1.08 0.00 0.00 179.45 179.53 1yce h ALA 39 N 1.30 1.11 0.14 3.86 0.00 -1.04 -2.00 119.26 122.63 1yce h ALA 39 Ca 0.21 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1yce h ALA 39 Cb 0.25 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1yce h ALA 39 CO -0.01 0.65 -0.07 0.28 0.00 0.00 0.00 179.25 180.10 1yce h VAL 40 N 1.15 0.95 -0.65 0.00 2.07 -1.10 -1.46 116.25 117.22 1yce h VAL 40 Ca 0.27 -0.37 0.13 0.00 0.82 0.00 0.00 66.70 67.56 1yce h VAL 40 Cb 0.16 1.18 -0.10 0.00 -1.52 0.00 0.00 31.29 31.01 1yce h VAL 40 CO -0.03 0.09 0.09 -0.08 0.02 0.00 0.00 177.57 177.66 1yce h GLU 41 N -0.35 0.20 0.05 1.57 4.81 -1.28 -3.03 114.58 116.54 1yce h GLU 41 Ca -0.02 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 58.95 1yce h GLU 41 Cb 0.28 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.63 1yce h GLU 41 CO 0.03 0.13 -1.07 0.77 -0.73 0.00 0.00 179.01 178.14 1yce h SER 42 N 0.20 0.57 -0.43 1.04 0.02 -1.30 -3.19 113.55 110.46 1yce h SER 42 Ca 0.35 -0.50 0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1yce h SER 42 Cb 0.57 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1yce h SER 42 CO -0.49 1.32 0.30 -0.37 -1.14 0.00 0.00 176.83 176.45 1yce h VAL 43 N 0.20 0.83 0.47 2.27 -1.51 -1.15 -1.19 116.25 116.17 1yce h VAL 43 Ca -0.11 -0.03 -0.02 0.00 -1.23 0.00 0.00 66.70 65.30 1yce h VAL 43 Cb 1.73 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.63 1yce h VAL 43 CO 0.19 0.02 -0.22 0.00 -1.23 0.00 0.00 177.57 176.32 1yce h ALA 44 N 1.79 -0.63 0.00 5.19 0.00 -1.52 -3.24 119.26 120.85 1yce h ALA 44 Ca 0.20 -0.18 -0.33 0.00 0.00 0.00 0.00 54.91 54.59 1yce h ALA 44 Cb 0.68 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.65 1yce h ALA 44 CO -0.02 -0.74 -2.18 2.89 0.00 0.00 0.00 179.25 179.20 1yce n ARG 45 N -5.27 0.67 -3.56 0.00 1.85 -1.17 -4.36 116.66 104.81 1yce n ARG 45 Ca -0.11 0.07 -0.31 0.00 -1.00 0.00 0.00 57.85 56.50 1yce n ARG 45 Cb 0.30 -1.60 -0.08 0.00 -1.05 0.00 0.00 32.46 30.04 1yce n ARG 45 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 1yce n GLN 46 N -2.81 2.60 0.28 2.89 3.00 -0.46 -4.94 117.38 117.94 1yce n GLN 46 Ca -0.27 -4.56 0.19 0.00 -0.01 0.00 0.00 57.00 52.34 1yce n GLN 46 Cb 1.11 -2.34 0.95 0.00 0.00 0.00 0.00 30.24 29.96 1yce n GLN 46 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1yce h PRO 47 N 5.11 0.00 0.00 -1.09 0.13 -1.75 -2.62 132.00 131.79 1yce h PRO 47 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1yce h PRO 47 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1yce h PRO 47 CO 0.87 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 179.03 1yce n GLU 48 N -2.89 0.00 -0.17 0.86 1.02 -1.26 -3.47 120.64 114.74 1yce n GLU 48 Ca -0.02 0.13 0.09 0.00 -0.02 0.00 0.00 57.16 57.34 1yce n GLU 48 Cb 0.13 -1.51 0.17 0.00 -0.02 0.00 0.00 31.44 30.21 1yce n GLU 48 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yce n ALA 49 N -1.50 2.35 -0.26 0.62 0.00 -0.99 -4.75 120.51 115.97 1yce n ALA 49 Ca 0.05 -0.99 0.07 0.00 0.00 0.00 0.00 53.44 52.57 1yce n ALA 49 Cb 0.26 -0.64 0.21 0.00 0.00 0.00 0.00 19.45 19.28 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 3.25 0.32 -0.14 0.00 3.64 -1.73 0.05 116.57 121.96 1yce h LYS 50 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1yce h LYS 50 Cb 0.81 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1yce h LYS 50 CO 0.00 0.21 0.06 0.78 -2.27 0.00 0.00 179.45 178.24 1yce h GLY 51 N 0.33 0.22 1.18 5.01 0.00 -1.90 -2.13 103.07 105.78 1yce h GLY 51 Ca 0.45 -0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.68 1yce h GLY 51 CO -0.49 0.11 0.52 -0.55 0.00 0.00 0.00 176.54 176.12 1yce h ASP 52 N 0.09 0.87 0.27 0.19 3.32 -1.66 -1.97 116.42 117.52 1yce h ASP 52 Ca 0.05 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1yce h ASP 52 Cb 0.15 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1yce h ASP 52 CO -0.00 0.61 -0.13 0.40 -1.72 0.00 0.00 179.24 178.40 1yce h ILE 53 N 1.02 0.78 -0.39 0.35 2.04 -0.91 -2.11 117.51 118.29 1yce h ILE 53 Ca 0.30 -0.48 -0.16 0.00 1.00 0.00 0.00 64.86 65.52 1yce h ILE 53 Cb -0.05 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 1yce h ILE 53 CO -0.08 0.10 -0.38 0.40 0.00 0.00 0.00 178.15 178.19 1yce h ILE 54 N -0.61 1.27 -0.53 -0.67 2.04 -1.36 -0.31 117.51 117.34 1yce h ILE 54 Ca -0.04 -1.56 -0.12 0.00 1.00 0.00 0.00 64.86 64.15 1yce h ILE 54 Cb 0.44 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1yce h ILE 54 CO 0.06 0.52 -0.13 0.77 0.00 0.00 0.00 178.15 179.38 1yce h SER 55 N 0.76 1.03 -0.58 1.72 4.64 -1.44 -1.39 113.55 118.29 1yce h SER 55 Ca 0.06 -0.35 -0.10 0.00 -0.47 0.00 0.00 61.79 60.94 1yce h SER 55 Cb 0.98 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1yce h SER 55 CO 0.09 1.14 -0.03 0.74 -0.87 0.00 0.00 176.83 177.91 1yce h THR 56 N 0.90 1.27 -0.08 2.95 2.02 -1.32 -1.95 112.91 116.71 1yce h THR 56 Ca 0.14 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1yce h THR 56 Cb 0.70 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1yce h THR 56 CO 0.05 0.42 0.05 -0.03 0.37 0.00 0.00 175.52 176.38 1yce h MET 57 N 0.93 0.10 -0.55 6.66 -1.53 -0.84 -1.91 114.93 117.78 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 0.59 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.59 1yce h MET 57 CO 0.03 0.08 0.15 0.28 0.14 0.00 0.00 176.91 177.59 1yce h VAL 58 N 0.09 1.24 -0.01 -5.77 2.07 -1.24 -0.43 116.25 112.21 1yce h VAL 58 Ca 0.03 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.71 1yce h VAL 58 Cb -0.00 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1yce h VAL 58 CO -0.01 0.31 -0.02 0.25 0.02 0.00 0.00 177.57 178.13 1yce h LEU 59 N 0.77 -0.06 -0.61 2.57 6.46 -1.23 -0.42 115.31 122.80 1yce h LEU 59 Ca 0.17 0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.83 1yce h LEU 59 Cb 0.32 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.26 1yce h LEU 59 CO -0.00 -0.03 -0.20 1.23 -0.62 0.00 0.00 178.44 178.82 1yce h GLY 60 N -0.03 0.97 1.04 3.75 0.00 -1.29 -2.48 103.07 105.03 1yce h GLY 60 Ca 0.01 -0.83 -0.05 0.00 0.00 0.00 0.00 47.33 46.47 1yce h GLY 60 CO -0.03 0.75 0.29 1.46 0.00 0.00 0.00 176.54 179.01 1yce h GLN 61 N 0.78 1.11 -0.47 4.80 4.20 -1.04 -2.65 115.11 121.85 1yce h GLN 61 Ca 0.11 -0.21 0.04 0.00 0.06 0.00 0.00 58.65 58.65 1yce h GLN 61 Cb 0.74 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 1yce h GLN 61 CO 0.06 0.92 0.24 0.00 -0.67 0.00 0.00 178.83 179.37 1yce h ALA 62 N 1.14 0.59 -0.62 3.87 0.00 -0.78 -1.72 119.26 121.74 1yce h ALA 62 Ca 0.25 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.18 1yce h ALA 62 Cb 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1yce h ALA 62 CO -0.02 -0.11 0.41 0.28 0.00 0.00 0.00 179.25 179.80 1yce h VAL 63 N 0.47 1.14 0.00 0.00 2.07 -1.37 -2.12 116.25 116.44 1yce h VAL 63 Ca 0.20 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1yce h VAL 63 Cb 0.11 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1yce h VAL 63 CO -0.14 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1yce h ALA 64 N 1.24 1.00 0.00 1.67 0.00 -1.04 -2.87 119.26 119.26 1yce h ALA 64 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1yce h ALA 64 Cb -0.07 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 -0.47 1.49 0.00 0.00 0.00 179.25 180.21 1yce h GLU 65 N 0.00 0.00 -0.99 0.00 4.57 -0.61 -3.40 114.58 114.14 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 0.19 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.70 1yce h GLU 65 CO 0.00 0.47 0.62 0.66 -1.18 0.00 0.00 179.01 179.58 1yce h SER 66 N 0.00 0.90 1.12 1.04 4.64 -1.56 -0.86 113.55 118.83 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 1.24 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 1yce h SER 66 CO 0.06 0.46 -0.29 0.71 -0.87 0.00 0.00 176.83 176.90 1yce h THR 67 N 0.96 0.63 -0.37 2.95 1.35 -1.83 -1.02 112.91 115.57 1yce h THR 67 Ca 0.50 -1.42 -0.14 0.00 -0.55 0.00 0.00 66.41 64.79 1yce h THR 67 Cb 0.52 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1yce h THR 67 CO -0.28 0.29 -0.33 1.23 -0.25 0.00 0.00 175.52 176.18 1yce h GLY 68 N 2.54 0.92 1.01 5.82 0.00 -1.44 -2.72 103.07 109.20 1yce h GLY 68 Ca -0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 47.33 46.36 1yce h GLY 68 CO 0.04 0.80 -0.02 -2.22 0.00 0.00 0.00 176.54 175.14 1yce h ILE 69 N 0.71 1.26 -0.27 2.60 1.08 -1.05 -2.33 117.51 119.51 1yce h ILE 69 Ca 0.07 -1.10 0.01 0.00 -0.39 0.00 0.00 64.86 63.45 1yce h ILE 69 Cb 0.89 0.99 -0.02 0.00 -3.07 0.00 0.00 36.82 35.62 1yce h ILE 69 CO 0.08 0.39 0.17 1.88 -0.69 0.00 0.00 178.15 179.97 1yce h TYR 70 N 0.74 0.31 -0.31 1.37 0.05 -1.17 0.57 116.97 118.53 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 0.54 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.15 1yce h TYR 70 CO 0.04 0.19 0.15 0.77 -1.05 0.00 0.00 178.16 178.26 1yce h SER 71 N 0.34 0.22 -0.98 3.88 0.02 -1.50 -1.58 113.55 113.95 1yce h SER 71 Ca 0.10 0.02 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 1yce h SER 71 Cb -0.02 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.43 1yce h SER 71 CO -0.04 0.17 0.63 0.25 -1.14 0.00 0.00 176.83 176.70 1yce h LEU 72 N 0.32 1.00 -0.33 5.07 5.85 -0.88 0.30 115.31 126.64 1yce h LEU 72 Ca 0.13 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1yce h LEU 72 Cb 0.05 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1yce h LEU 72 CO -0.09 0.62 -0.02 0.58 -0.34 0.00 0.00 178.44 179.18 1yce h VAL 73 N 1.13 1.27 -0.52 1.05 2.07 -0.44 -1.15 116.25 119.65 1yce h VAL 73 Ca 0.43 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.93 1yce h VAL 73 Cb 0.20 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1yce h VAL 73 CO -0.18 0.33 0.32 0.40 0.02 0.00 0.00 177.57 178.46 1yce h ILE 74 N 0.40 1.16 -0.65 4.57 1.08 -0.70 -0.68 117.51 122.69 1yce h ILE 74 Ca 0.09 -0.34 -0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1yce h ILE 74 Cb 0.49 0.44 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 1yce h ILE 74 CO 0.02 0.16 0.39 0.00 -0.69 0.00 0.00 178.15 178.03 1yce h ALA 75 N 1.16 0.83 0.00 1.87 0.00 -0.82 -1.93 119.26 120.37 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 -0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1yce h ALA 75 CO -0.04 0.30 -0.51 -0.07 0.00 0.00 0.00 179.25 178.94 1yce h LEU 76 N 0.88 0.00 0.12 0.00 3.38 -0.85 -1.51 115.31 117.32 1yce h LEU 76 Ca 0.23 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 0.51 -0.06 0.40 0.09 0.00 0.00 178.44 179.34 1yce h ILE 77 N 0.00 1.03 -0.87 1.22 2.04 -0.94 -0.15 117.51 119.84 1yce h ILE 77 Ca -0.01 -0.61 0.08 0.00 1.00 0.00 0.00 64.86 65.32 1yce h ILE 77 Cb 0.97 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 38.41 1yce h ILE 77 CO 0.07 0.15 0.56 -0.07 0.00 0.00 0.00 178.15 178.86 1yce h LEU 78 N -0.44 0.83 0.19 1.44 3.38 -1.16 0.48 115.31 120.02 1yce h LEU 78 Ca -0.02 0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 1yce h LEU 78 Cb 0.36 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.97 1yce h LEU 78 CO 0.03 0.52 -1.49 -0.07 0.09 0.00 0.00 178.44 177.51 1yce h LEU 79 N 0.93 0.63 0.00 1.67 3.38 -1.27 -3.39 115.31 117.27 1yce h LEU 79 Ca 0.38 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1yce h LEU 79 Cb 0.28 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1yce h LEU 79 CO -0.15 1.60 -0.61 -1.22 0.09 0.00 0.00 178.44 178.16 1yce n TYR 80 N -3.61 0.00 -2.92 1.13 4.02 -0.07 -4.74 117.16 110.98 1yce n TYR 80 Ca -0.16 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.59 1yce n TYR 80 Cb 1.07 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.39 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 -1.31 2.74 -1.99 -0.72 0.00 0.10 -5.02 120.51 114.32 1yce n ALA 81 Ca -0.00 -3.26 -0.42 0.00 0.00 0.00 0.00 53.44 49.75 1yce n ALA 81 Cb 0.01 -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 -2.79 6.65 0.00 0.00 3.84 -0.82 -4.67 114.94 117.16 1yce s ASN 82 Ca 0.33 2.27 0.28 0.00 0.21 0.00 0.00 52.86 55.95 1yce s ASN 82 Cb 0.41 -2.53 1.08 0.00 -0.55 0.00 0.00 41.25 39.65 1yce s ASN 82 CO -0.02 -0.93 1.81 -0.81 -2.79 0.00 0.00 177.10 174.36 1yce n PRO 83 N 7.15 0.04 0.05 0.43 -0.04 -1.26 -4.05 135.00 137.30 1yce n PRO 83 Ca 0.17 -0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.41 1yce n PRO 83 Cb 0.43 -1.50 -0.15 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 0.02 0.60 -0.34 0.54 0.05 -1.98 -3.37 116.94 112.45 1yce h PHE 84 Ca 0.00 -0.44 0.09 0.00 3.82 0.00 0.00 57.97 61.44 1yce h PHE 84 Cb 0.49 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.40 1yce h PHE 84 CO 0.00 1.67 0.24 -0.39 -0.18 0.00 0.00 178.31 179.65 1yce h VAL 85 N 0.09 0.85 0.00 -0.55 -1.51 -1.98 -1.14 116.25 112.02 1yce h VAL 85 Ca -0.36 -0.02 -0.03 0.00 -1.23 0.00 0.00 66.70 65.06 1yce h VAL 85 Cb 2.07 0.80 -0.00 0.00 -2.13 0.00 0.00 31.29 32.02 1yce h VAL 85 CO 0.15 0.01 -0.13 1.23 -1.23 0.00 0.00 177.57 177.59 1yce h GLY 86 N 0.05 0.00 1.93 5.19 0.00 -1.80 -3.17 103.07 105.28 1yce h GLY 86 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 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 -3.14 0.00 -4.71 3.11 4.77 -0.44 -4.84 117.00 111.76 1yce n LEU 87 Ca 0.03 0.47 -0.41 0.00 -0.03 0.00 0.00 56.01 56.07 1yce n LEU 87 Cb 0.57 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1yce n LEU 87 CO 0.35 -0.09 0.55 -0.76 -1.33 0.00 0.00 177.39 176.12 1yce s LEU 88 N -2.93 4.32 0.00 2.23 1.43 -1.20 -5.14 118.68 117.38 1yce s LEU 88 Ca 0.13 1.39 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 43.06 1yce s LEU 88 CO 0.42 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.40