#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 0.15 6.12 1.47 -1.26 -4.98 116.67 123.30 1yce s ASP 2 Ca 0.00 0.71 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 -1.43 1.34 -0.03 0.68 0.00 0.00 175.17 175.73 1yce h MET 3 N -0.54 0.16 -0.64 2.11 1.85 -2.03 -2.34 114.93 113.49 1yce h MET 3 Ca -0.45 -0.20 -0.09 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 33.36 1yce h MET 3 CO 0.62 0.98 0.05 1.25 -0.40 0.00 0.00 176.91 179.41 1yce h LEU 4 N 0.08 1.07 -0.57 3.39 5.85 -1.99 -1.67 115.31 121.47 1yce h LEU 4 Ca -0.05 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 1yce h LEU 4 Cb 1.60 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 1yce h LEU 4 CO 0.14 1.09 0.23 0.15 -0.34 0.00 0.00 178.44 179.71 1yce h PHE 5 N 1.01 0.86 0.10 1.25 -0.00 -1.94 -0.81 116.94 117.41 1yce h PHE 5 Ca 0.19 -0.06 -0.00 0.00 -0.00 0.00 0.00 57.97 58.09 1yce h PHE 5 Cb 0.51 -0.26 0.00 0.00 -0.00 0.00 0.00 35.95 36.20 1yce h PHE 5 CO 0.04 0.69 -0.05 0.00 -0.00 0.00 0.00 178.31 178.99 1yce h ALA 6 N 1.07 -0.13 -0.55 2.41 0.00 -1.10 -2.09 119.26 118.86 1yce h ALA 6 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1yce h ALA 6 Cb 0.20 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1yce h ALA 6 CO -0.02 -0.58 0.28 0.87 0.00 0.00 0.00 179.25 179.81 1yce h LYS 7 N -0.13 0.78 -0.39 0.00 1.57 -1.29 -2.52 116.57 114.59 1yce h LYS 7 Ca -0.01 -0.10 0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1yce h LYS 7 Cb 0.10 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.20 1yce h LYS 7 CO 0.02 0.62 -0.05 1.15 -0.57 0.00 0.00 179.45 180.62 1yce h THR 8 N 0.74 0.66 -0.03 -0.16 2.02 -0.92 -0.16 112.91 115.05 1yce h THR 8 Ca 0.19 -0.02 -0.17 0.00 0.77 0.00 0.00 66.41 67.19 1yce h THR 8 Cb 0.08 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1yce h THR 8 CO -0.03 0.01 -0.74 -0.37 0.37 0.00 0.00 175.52 174.77 1yce h VAL 9 N 0.05 1.45 -0.36 3.16 -1.51 -1.24 -1.32 116.25 116.47 1yce h VAL 9 Ca 0.19 -2.32 -0.10 0.00 -1.23 0.00 0.00 66.70 63.24 1yce h VAL 9 Cb 0.28 2.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.68 1yce h VAL 9 CO -0.36 0.68 -0.16 0.58 -1.23 0.00 0.00 177.57 177.08 1yce h VAL 10 N 0.12 1.28 -0.36 7.19 2.07 -1.23 -2.22 116.25 123.10 1yce h VAL 10 Ca -0.02 -1.28 -0.17 0.00 0.82 0.00 0.00 66.70 66.05 1yce h VAL 10 Cb 1.30 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 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 0.54 1.00 -0.72 2.57 3.38 -1.02 -1.67 115.31 119.39 1yce h LEU 11 Ca 0.08 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.60 1yce h LEU 11 Cb 0.70 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1yce h LEU 11 CO 0.05 1.28 0.46 0.00 0.09 0.00 0.00 178.44 180.32 1yce h ALA 12 N 0.75 0.95 -0.50 1.53 0.00 -1.23 -1.55 119.26 119.21 1yce h ALA 12 Ca 0.05 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1yce h ALA 12 Cb 1.03 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1yce h ALA 12 CO 0.10 0.24 0.02 0.00 0.00 0.00 0.00 179.25 179.61 1yce h ALA 13 N 1.31 1.08 -0.79 0.00 0.00 -1.35 -2.76 119.26 116.76 1yce h ALA 13 Ca 0.29 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1yce h ALA 13 Cb 0.01 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1yce h ALA 13 CO -0.11 0.58 0.43 0.77 0.00 0.00 0.00 179.25 180.93 1yce h SER 14 N 0.78 0.98 -0.38 0.00 0.02 -0.90 0.08 113.55 114.14 1yce h SER 14 Ca 0.15 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1yce h SER 14 Cb 0.45 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1yce h SER 14 CO 0.02 0.80 0.24 0.00 -1.14 0.00 0.00 176.83 176.74 1yce h ALA 15 N 1.23 0.47 -0.49 3.77 0.00 -1.13 -0.49 119.26 122.62 1yce h ALA 15 Ca 0.28 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1yce h ALA 15 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1yce h ALA 15 CO -0.04 -0.09 0.16 0.28 0.00 0.00 0.00 179.25 179.55 1yce h VAL 16 N 0.48 1.23 -0.67 0.00 2.07 -1.32 -2.60 116.25 115.44 1yce h VAL 16 Ca 0.14 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1yce h VAL 16 Cb -0.03 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 1yce h VAL 16 CO -0.05 0.28 0.38 1.23 0.02 0.00 0.00 177.57 179.43 1yce h GLY 17 N 0.66 0.99 0.86 2.17 0.00 -0.82 -1.91 103.07 105.01 1yce h GLY 17 Ca 0.16 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1yce h GLY 17 CO -0.01 0.42 -0.00 0.00 0.00 0.00 0.00 176.54 176.95 1yce h ALA 18 N 1.19 -0.01 -0.85 3.60 0.00 -1.01 -1.86 119.26 120.32 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 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1yce h ALA 18 CO -0.04 -0.43 0.49 0.78 0.00 0.00 0.00 179.25 180.05 1yce h GLY 19 N -0.15 1.25 0.94 0.00 0.00 -1.39 -2.82 103.07 100.91 1yce h GLY 19 Ca -0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 1yce h GLY 19 CO 0.00 0.52 0.13 -0.84 0.00 0.00 0.00 176.54 176.35 1yce h THR 20 N 1.18 1.22 -0.81 4.70 2.02 -1.22 -2.86 112.91 117.14 1yce h THR 20 Ca 0.30 -0.72 0.13 0.00 0.77 0.00 0.00 66.41 66.89 1yce h THR 20 Cb -0.02 0.90 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 1yce h THR 20 CO -0.05 0.26 0.53 0.00 0.37 0.00 0.00 175.52 176.62 1yce h ALA 21 N 0.98 1.89 0.00 6.16 0.00 -1.09 -2.08 119.26 125.12 1yce h ALA 21 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1yce h ALA 21 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1yce h ALA 21 CO -0.00 -0.09 0.00 -1.33 0.00 0.00 0.00 179.25 177.83 1yce n MET 22 N -4.52 0.06 0.27 0.00 2.81 -1.08 -2.39 117.12 112.28 1yce n MET 22 Ca 0.15 0.33 0.10 0.00 -1.81 0.00 0.00 57.70 56.47 1yce n MET 22 Cb 0.43 -1.62 0.70 0.00 -0.71 0.00 0.00 33.22 32.02 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 -0.47 2.02 2.04 -1.46 -2.14 117.51 118.36 1yce h ILE 23 Ca 0.00 -0.12 0.14 0.00 1.00 0.00 0.00 64.86 65.87 1yce h ILE 23 Cb 0.25 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 1yce h ILE 23 CO 0.00 0.03 0.49 0.00 0.00 0.00 0.00 178.15 178.67 1yce h ALA 24 N 1.97 2.21 0.00 1.87 0.00 -1.68 -2.44 119.26 121.18 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 0.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1yce h ALA 24 CO 0.00 -0.73 0.06 0.41 0.00 0.00 0.00 179.25 178.99 1yce n GLY 25 N -1.51 -0.78 0.29 0.00 0.00 -0.81 -1.88 105.19 100.50 1yce n GLY 25 Ca 0.09 0.17 -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 1.14 0.86 -0.61 2.04 -1.68 -3.25 117.51 116.02 1yce h ILE 26 Ca 0.00 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 1yce h ILE 26 Cb 0.11 0.10 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 0.00 178.15 179.14 1yce h GLY 27 N 0.96 -1.21 0.29 5.37 0.00 -1.63 -2.50 103.07 104.35 1yce h GLY 27 Ca 0.29 0.45 0.16 0.00 0.00 0.00 0.00 47.33 48.23 1yce h GLY 27 CO -0.09 -0.44 0.62 -2.55 0.00 0.00 0.00 176.54 174.08 1yce h PRO 28 N -1.24 0.85 -0.73 4.80 0.11 -1.75 -1.50 132.00 132.54 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 0.89 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.78 1yce h PRO 28 CO 0.19 0.56 0.47 0.78 -0.21 0.00 0.00 178.00 179.80 1yce h GLY 29 N 0.88 1.03 0.72 -0.55 0.00 -1.54 0.18 103.07 103.78 1yce h GLY 29 Ca 0.54 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1yce h GLY 29 CO -0.33 0.39 -0.21 -2.08 0.00 0.00 0.00 176.54 174.31 1yce h VAL 30 N 0.99 0.49 -0.39 4.60 2.07 -0.99 -2.82 116.25 120.20 1yce h VAL 30 Ca 0.27 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1yce h VAL 30 Cb -0.09 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 1yce h VAL 30 CO -0.06 0.07 0.02 1.23 0.02 0.00 0.00 177.57 178.86 1yce h GLY 31 N -0.88 0.73 1.89 2.17 0.00 -1.25 -2.42 103.07 103.32 1yce h GLY 31 Ca -0.06 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.67 1yce h GLY 31 CO 0.10 0.48 -0.33 1.46 0.00 0.00 0.00 176.54 178.25 1yce h GLN 32 N 0.51 0.13 -0.37 4.80 4.20 -1.09 -2.16 115.11 121.12 1yce h GLN 32 Ca 0.11 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.63 1yce h GLN 32 Cb 0.44 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 1yce h GLN 32 CO 0.02 0.45 -0.34 0.78 -0.67 0.00 0.00 178.83 179.07 1yce h GLY 33 N 1.06 0.92 0.81 3.46 0.00 -1.31 -1.36 103.07 106.66 1yce h GLY 33 Ca 0.01 -0.89 -0.00 0.00 0.00 0.00 0.00 47.33 46.45 1yce h GLY 33 CO 0.05 0.81 -0.21 -1.82 0.00 0.00 0.00 176.54 175.36 1yce h TYR 34 N 0.71 -0.56 -0.91 5.60 3.20 -1.21 -1.42 116.97 122.39 1yce h TYR 34 Ca 0.07 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.05 1yce h TYR 34 Cb 0.90 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 39.31 1yce h TYR 34 CO 0.05 -0.32 0.58 0.00 -1.64 0.00 0.00 178.16 176.83 1yce h ALA 35 N 0.19 1.66 -0.70 1.82 0.00 -1.24 -0.95 119.26 120.03 1yce h ALA 35 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1yce h ALA 35 Cb 0.44 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1yce h ALA 35 CO -0.02 0.14 0.19 0.00 0.00 0.00 0.00 179.25 179.56 1yce h ALA 36 N 1.56 1.00 -0.50 0.00 0.00 -1.01 -1.62 119.26 118.69 1yce h ALA 36 Ca 0.43 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 36 Cb 0.48 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1yce h ALA 36 CO -0.19 0.66 0.14 0.78 0.00 0.00 0.00 179.25 180.63 1yce h GLY 37 N 1.09 0.86 1.25 0.00 0.00 -0.09 -1.61 103.07 104.56 1yce h GLY 37 Ca 0.22 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1yce h GLY 37 CO -0.00 0.49 0.16 0.50 0.00 0.00 0.00 176.54 177.69 1yce h LYS 38 N 0.69 0.94 -0.79 4.80 1.79 -1.21 -2.33 116.57 120.46 1yce h LYS 38 Ca 0.16 -0.20 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1yce h LYS 38 Cb 0.31 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.78 1yce h LYS 38 CO -0.00 0.83 0.34 0.00 -1.08 0.00 0.00 179.45 179.54 1yce h ALA 39 N 1.27 1.11 0.11 3.86 0.00 -1.05 -2.39 119.26 122.17 1yce h ALA 39 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1yce h ALA 39 Cb 0.31 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1yce h ALA 39 CO -0.00 0.65 -0.05 0.28 0.00 0.00 0.00 179.25 180.12 1yce h VAL 40 N 1.14 0.99 -0.78 0.00 2.07 -1.10 -1.92 116.25 116.65 1yce h VAL 40 Ca 0.27 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.53 1yce h VAL 40 Cb 0.17 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 1yce h VAL 40 CO -0.03 0.09 0.51 -0.08 0.02 0.00 0.00 177.57 178.08 1yce h GLU 41 N -0.31 0.66 0.13 1.57 4.81 -1.39 -2.99 114.58 117.06 1yce h GLU 41 Ca -0.02 -0.04 -0.29 0.00 -0.13 0.00 0.00 59.36 58.88 1yce h GLU 41 Cb 0.26 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1yce h GLU 41 CO 0.02 0.44 -1.40 0.77 -0.73 0.00 0.00 179.01 178.12 1yce h SER 42 N 0.68 0.43 -0.36 1.04 0.02 -1.33 -3.07 113.55 110.96 1yce h SER 42 Ca 0.36 -0.52 -0.03 0.00 -0.84 0.00 0.00 61.79 60.76 1yce h SER 42 Cb 0.49 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1yce h SER 42 CO -0.14 1.42 0.12 0.58 -1.14 0.00 0.00 176.83 177.68 1yce h VAL 43 N 0.08 1.18 0.13 2.27 2.07 -1.33 0.31 116.25 120.96 1yce h VAL 43 Ca -0.19 -0.64 -0.30 0.00 0.82 0.00 0.00 66.70 66.39 1yce h VAL 43 Cb 2.01 0.73 0.02 0.00 -1.52 0.00 0.00 31.29 32.53 1yce h VAL 43 CO 0.19 0.24 -1.26 0.00 0.02 0.00 0.00 177.57 176.76 1yce h ALA 44 N 1.52 0.02 -0.31 1.67 0.00 -1.62 -2.39 119.26 118.15 1yce h ALA 44 Ca 0.15 -0.80 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 1yce h ALA 44 Cb 0.21 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1yce h ALA 44 CO -0.01 0.74 -0.37 0.00 0.00 0.00 0.00 179.25 179.61 1yce h ARG 45 N 0.22 0.72 -2.10 0.00 3.08 -1.55 -3.40 114.38 111.35 1yce h ARG 45 Ca -0.18 -0.36 -0.58 0.00 0.07 0.00 0.00 59.98 58.93 1yce h ARG 45 Cb 1.93 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 31.58 1yce h ARG 45 CO 0.23 0.97 -0.84 1.04 -1.07 0.00 0.00 179.97 180.31 1yce n GLN 46 N -4.05 1.71 0.16 0.04 1.13 0.11 -4.97 117.38 111.51 1yce n GLN 46 Ca -0.02 -4.01 0.18 0.00 -1.94 0.00 0.00 57.00 51.22 1yce n GLN 46 Cb 0.52 -1.78 0.79 0.00 0.11 0.00 0.00 30.24 29.87 1yce n GLN 46 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1yce h PRO 47 N 4.04 0.00 0.00 -1.09 0.11 -1.63 0.76 132.00 134.19 1yce h PRO 47 Ca 0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1yce h PRO 47 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1yce h PRO 47 CO 0.66 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 1yce n GLU 48 N -3.86 0.21 -0.27 1.05 4.71 -1.26 -2.80 120.64 118.43 1yce n GLU 48 Ca 0.04 0.12 0.07 0.00 -0.01 0.00 0.00 57.16 57.37 1yce n GLU 48 Cb 0.42 -1.50 0.19 0.00 -1.01 0.00 0.00 31.44 29.54 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 -1.33 2.47 -0.33 0.62 0.00 0.26 -4.71 120.51 117.49 1yce n ALA 49 Ca 0.08 -1.59 0.07 0.00 0.00 0.00 0.00 53.44 52.00 1yce n ALA 49 Cb 0.17 -0.52 0.23 0.00 0.00 0.00 0.00 19.45 19.33 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 1.82 0.81 0.31 0.00 3.64 -1.61 0.11 116.57 121.66 1yce h LYS 50 Ca 0.00 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1yce h LYS 50 Cb 0.99 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1yce h LYS 50 CO 0.08 0.54 -0.15 0.78 -2.27 0.00 0.00 179.45 178.43 1yce h GLY 51 N 0.84 -0.44 1.47 5.01 0.00 -1.86 -1.68 103.07 106.41 1yce h GLY 51 Ca 0.47 0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.92 1yce h GLY 51 CO -0.29 -0.16 0.07 -0.55 0.00 0.00 0.00 176.54 175.61 1yce h ASP 52 N -0.43 0.62 0.40 0.19 3.32 -1.79 -1.93 116.42 116.79 1yce h ASP 52 Ca -0.04 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 1yce h ASP 52 Cb 0.33 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1yce h ASP 52 CO 0.07 0.64 -0.19 0.40 -1.72 0.00 0.00 179.24 178.44 1yce h ILE 53 N 0.64 0.61 -0.39 0.35 2.04 -0.60 -1.42 117.51 118.75 1yce h ILE 53 Ca 0.14 -0.21 -0.15 0.00 1.00 0.00 0.00 64.86 65.64 1yce h ILE 53 Cb 0.29 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1yce h ILE 53 CO 0.00 0.04 -0.33 0.40 0.00 0.00 0.00 178.15 178.26 1yce h ILE 54 N -0.65 1.28 -0.59 -0.67 2.04 -1.31 -0.07 117.51 117.53 1yce h ILE 54 Ca -0.05 -1.50 -0.10 0.00 1.00 0.00 0.00 64.86 64.20 1yce h ILE 54 Cb 0.47 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1yce h ILE 54 CO 0.09 0.50 -0.04 0.77 0.00 0.00 0.00 178.15 179.48 1yce h SER 55 N 0.72 1.05 -0.58 1.72 4.64 -1.40 -1.46 113.55 118.25 1yce h SER 55 Ca 0.07 -0.32 -0.10 0.00 -0.47 0.00 0.00 61.79 60.97 1yce h SER 55 Cb 0.92 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1yce h SER 55 CO 0.09 1.12 -0.04 0.74 -0.87 0.00 0.00 176.83 177.87 1yce h THR 56 N 0.96 1.27 -0.11 2.95 2.02 -1.18 -2.01 112.91 116.80 1yce h THR 56 Ca 0.16 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.16 1yce h THR 56 Cb 0.60 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1yce h THR 56 CO 0.04 0.43 0.07 -0.03 0.37 0.00 0.00 175.52 176.40 1yce h MET 57 N 0.94 0.14 -0.51 6.66 -1.53 -0.79 -2.01 114.93 117.83 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 0.60 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.60 1yce h MET 57 CO 0.04 0.10 0.11 0.28 0.14 0.00 0.00 176.91 177.58 1yce h VAL 58 N 0.14 1.25 -0.04 -5.77 2.07 -1.25 -0.25 116.25 112.40 1yce h VAL 58 Ca 0.04 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.68 1yce h VAL 58 Cb -0.01 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1yce h VAL 58 CO -0.01 0.32 -0.01 0.25 0.02 0.00 0.00 177.57 178.14 1yce h LEU 59 N 0.72 -0.03 -0.63 2.57 6.46 -1.25 -0.34 115.31 122.81 1yce h LEU 59 Ca 0.16 0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.81 1yce h LEU 59 Cb 0.36 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 1yce h LEU 59 CO 0.00 -0.01 -0.26 1.23 -0.62 0.00 0.00 178.44 178.78 1yce h GLY 60 N 0.00 0.86 1.10 3.75 0.00 -1.30 -2.47 103.07 105.01 1yce h GLY 60 Ca 0.02 -0.77 -0.07 0.00 0.00 0.00 0.00 47.33 46.50 1yce h GLY 60 CO -0.04 0.70 0.14 1.46 0.00 0.00 0.00 176.54 178.80 1yce h GLN 61 N 0.68 1.11 -0.52 4.80 4.20 -1.00 -2.58 115.11 121.81 1yce h GLN 61 Ca 0.09 -0.28 0.03 0.00 0.06 0.00 0.00 58.65 58.55 1yce h GLN 61 Cb 0.79 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.39 1yce h GLN 61 CO 0.07 1.00 0.29 0.00 -0.67 0.00 0.00 178.83 179.51 1yce h ALA 62 N 1.09 0.67 -0.55 3.87 0.00 -0.76 -1.72 119.26 121.87 1yce h ALA 62 Ca 0.21 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1yce h ALA 62 Cb 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1yce h ALA 62 CO 0.01 -0.03 0.34 0.28 0.00 0.00 0.00 179.25 179.86 1yce h VAL 63 N 0.57 1.10 0.00 0.00 2.07 -1.38 -2.21 116.25 116.40 1yce h VAL 63 Ca 0.22 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1yce h VAL 63 Cb 0.07 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1yce h VAL 63 CO -0.12 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1yce h ALA 64 N 1.22 1.00 0.00 1.67 0.00 -1.00 -2.85 119.26 119.30 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 -0.03 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 -0.40 1.49 0.00 0.00 0.00 179.25 180.27 1yce h GLU 65 N 0.00 0.00 -1.00 0.00 4.57 -0.67 -3.40 114.58 114.08 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 0.20 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.71 1yce h GLU 65 CO 0.00 0.40 0.63 0.66 -1.18 0.00 0.00 179.01 179.52 1yce h SER 66 N 0.00 0.93 1.18 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 1.16 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1yce h SER 66 CO 0.05 0.51 -0.30 0.71 -0.87 0.00 0.00 176.83 176.93 1yce h THR 67 N 1.01 0.62 -0.45 2.95 1.35 -1.83 -0.91 112.91 115.64 1yce h THR 67 Ca 0.49 -1.47 -0.13 0.00 -0.55 0.00 0.00 66.41 64.74 1yce h THR 67 Cb 0.46 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.86 1yce h THR 67 CO -0.26 0.30 -0.24 1.23 -0.25 0.00 0.00 175.52 176.30 1yce h GLY 68 N 2.67 1.02 1.02 5.82 0.00 -1.46 -2.70 103.07 109.44 1yce h GLY 68 Ca -0.00 -0.92 -0.07 0.00 0.00 0.00 0.00 47.33 46.33 1yce h GLY 68 CO 0.04 0.83 0.04 -2.22 0.00 0.00 0.00 176.54 175.24 1yce h ILE 69 N 0.81 1.26 -0.29 2.60 1.08 -1.07 -2.30 117.51 119.60 1yce h ILE 69 Ca 0.10 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.54 1yce h ILE 69 Cb 0.81 0.88 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 1yce h ILE 69 CO 0.07 0.37 0.19 1.88 -0.69 0.00 0.00 178.15 179.97 1yce h TYR 70 N 0.80 0.35 -0.38 1.37 0.05 -1.14 0.56 116.97 118.57 1yce h TYR 70 Ca 0.16 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.96 1yce h TYR 70 Cb 0.47 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 1yce h TYR 70 CO 0.03 0.22 0.23 0.77 -1.05 0.00 0.00 178.16 178.36 1yce h SER 71 N 0.38 0.38 -1.00 3.88 0.02 -1.49 -1.57 113.55 114.15 1yce h SER 71 Ca 0.11 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.11 1yce h SER 71 Cb -0.04 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.36 1yce h SER 71 CO -0.03 0.27 0.65 0.25 -1.14 0.00 0.00 176.83 176.83 1yce h LEU 72 N 0.47 1.06 -0.31 5.07 5.85 -0.89 0.19 115.31 126.74 1yce h LEU 72 Ca 0.15 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1yce h LEU 72 Cb -0.01 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1yce h LEU 72 CO -0.06 0.70 0.01 0.58 -0.34 0.00 0.00 178.44 179.33 1yce h VAL 73 N 1.22 1.25 -0.54 1.05 2.07 -0.49 -1.28 116.25 119.53 1yce h VAL 73 Ca 0.41 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1yce h VAL 73 Cb 0.08 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1yce h VAL 73 CO -0.15 0.30 0.35 0.40 0.02 0.00 0.00 177.57 178.50 1yce h ILE 74 N 0.35 1.14 -0.64 4.57 1.08 -0.77 -0.58 117.51 122.66 1yce h ILE 74 Ca 0.09 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1yce h ILE 74 Cb 0.42 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 1yce h ILE 74 CO 0.01 0.14 0.41 0.00 -0.69 0.00 0.00 178.15 178.03 1yce h ALA 75 N 1.19 0.81 0.00 1.87 0.00 -0.84 -1.96 119.26 120.34 1yce h ALA 75 Ca 0.20 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1yce h ALA 75 Cb -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1yce h ALA 75 CO -0.04 0.26 -0.53 -0.07 0.00 0.00 0.00 179.25 178.87 1yce h LEU 76 N 0.87 0.00 0.15 0.00 3.38 -0.86 -1.70 115.31 117.14 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 -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1yce h LEU 76 CO -0.05 0.53 -0.07 0.40 0.09 0.00 0.00 178.44 179.33 1yce h ILE 77 N 0.00 0.97 -0.84 1.22 2.04 -0.93 -0.18 117.51 119.80 1yce h ILE 77 Ca -0.01 -0.57 0.08 0.00 1.00 0.00 0.00 64.86 65.36 1yce h ILE 77 Cb 1.02 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.37 1yce h ILE 77 CO 0.07 0.13 0.55 -0.07 0.00 0.00 0.00 178.15 178.83 1yce h LEU 78 N -0.47 0.78 0.16 1.44 3.38 -1.19 0.39 115.31 119.79 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 0.37 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.98 1yce h LEU 78 CO 0.03 0.49 -1.48 -0.07 0.09 0.00 0.00 178.44 177.50 1yce h LEU 79 N 0.88 0.52 0.00 1.67 3.38 -1.30 -3.39 115.31 117.07 1yce h LEU 79 Ca 0.37 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1yce h LEU 79 Cb 0.30 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1yce h LEU 79 CO -0.14 1.52 -0.66 -1.22 0.09 0.00 0.00 178.44 178.04 1yce n TYR 80 N -3.54 0.00 -2.91 1.13 4.02 -0.08 -4.74 117.16 111.03 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 -1.33 2.78 -1.98 -0.72 0.00 0.07 -5.02 120.51 114.31 1yce n ALA 81 Ca 0.00 -3.28 -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 -2.80 6.65 0.00 0.00 3.84 -0.83 -4.67 114.94 117.13 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 0.41 -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 7.08 0.02 0.04 0.43 -0.04 -1.26 -4.05 135.00 137.22 1yce n PRO 83 Ca 0.17 -0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.42 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 0.01 0.57 -0.43 0.54 0.05 -1.98 -3.37 116.94 112.33 1yce h PHE 84 Ca 0.00 -0.42 0.11 0.00 3.82 0.00 0.00 57.97 61.48 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 0.30 -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 -1.05 116.25 112.07 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 0.02 -0.13 1.23 -1.23 0.00 0.00 177.57 177.60 1yce h GLY 86 N 0.09 0.00 1.95 5.19 0.00 -1.80 -3.17 103.07 105.33 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 -3.13 0.00 -4.70 3.11 4.77 -0.40 -4.84 117.00 111.79 1yce n LEU 87 Ca 0.03 0.48 -0.41 0.00 -0.03 0.00 0.00 56.01 56.08 1yce n LEU 87 Cb 0.57 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1yce n LEU 87 CO 0.35 -0.09 0.55 -0.76 -1.33 0.00 0.00 177.39 176.11 1yce s LEU 88 N -2.95 4.31 0.00 2.23 1.43 -1.20 -5.14 118.68 117.35 1yce s LEU 88 Ca 0.13 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 1yce s LEU 88 Cb 0.15 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 43.08 1yce s LEU 88 CO 0.42 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.38