#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 -4.98 116.67 123.28 1yce s ASP 2 Ca 0.00 0.71 0.02 0.00 1.18 0.00 0.00 52.55 54.46 1yce s ASP 2 Cb 0.00 -1.46 -0.04 0.00 -0.34 0.00 0.00 42.92 41.08 1yce s ASP 2 CO 0.00 -1.45 1.35 -0.03 0.68 0.00 0.00 175.17 175.72 1yce h MET 3 N -0.56 0.21 -0.59 2.11 1.85 -2.03 -2.36 114.93 113.56 1yce h MET 3 Ca -0.45 -0.24 -0.09 0.00 -0.61 0.00 0.00 59.70 58.30 1yce h MET 3 Cb 1.29 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 33.37 1yce h MET 3 CO 0.62 0.99 -0.01 1.25 -0.40 0.00 0.00 176.91 179.36 1yce h LEU 4 N 0.11 1.01 -0.58 3.39 5.85 -1.99 -1.66 115.31 121.44 1yce h LEU 4 Ca -0.05 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.35 1yce h LEU 4 Cb 1.55 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 1yce h LEU 4 CO 0.14 1.06 0.23 0.15 -0.34 0.00 0.00 178.44 179.68 1yce h PHE 5 N 0.94 0.88 0.17 1.25 -0.00 -1.93 -0.95 116.94 117.29 1yce h PHE 5 Ca 0.17 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.97 58.06 1yce h PHE 5 Cb 0.55 -0.26 0.00 0.00 -0.00 0.00 0.00 35.95 36.24 1yce h PHE 5 CO 0.04 0.71 -0.08 0.00 -0.00 0.00 0.00 178.31 178.98 1yce h ALA 6 N 1.08 -0.22 -0.54 2.41 0.00 -1.10 -2.01 119.26 118.87 1yce h ALA 6 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1yce h ALA 6 Cb 0.21 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1yce h ALA 6 CO -0.02 -0.62 0.34 0.87 0.00 0.00 0.00 179.25 179.83 1yce h LYS 7 N -0.23 0.72 -0.36 0.00 1.57 -1.30 -2.56 116.57 114.42 1yce h LYS 7 Ca -0.02 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 1yce h LYS 7 Cb 0.18 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.26 1yce h LYS 7 CO 0.04 0.50 -0.08 1.15 -0.57 0.00 0.00 179.45 180.49 1yce h THR 8 N 0.73 0.65 -0.02 -0.16 2.02 -0.95 -0.19 112.91 114.99 1yce h THR 8 Ca 0.20 -0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.21 1yce h THR 8 Cb -0.05 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1yce h THR 8 CO -0.04 0.00 -0.75 -0.37 0.37 0.00 0.00 175.52 174.73 1yce h VAL 9 N 0.01 1.48 -0.35 3.16 -1.51 -1.23 -1.33 116.25 116.47 1yce h VAL 9 Ca 0.17 -2.40 -0.12 0.00 -1.23 0.00 0.00 66.70 63.12 1yce h VAL 9 Cb 0.26 2.30 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 1yce h VAL 9 CO -0.37 0.70 -0.24 0.58 -1.23 0.00 0.00 177.57 177.01 1yce h VAL 10 N 0.09 1.29 -0.32 7.19 2.07 -1.23 -2.27 116.25 123.07 1yce h VAL 10 Ca -0.02 -1.39 -0.17 0.00 0.82 0.00 0.00 66.70 65.94 1yce h VAL 10 Cb 1.32 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1yce h VAL 10 CO 0.11 0.45 -0.47 -0.07 0.02 0.00 0.00 177.57 177.62 1yce h LEU 11 N 0.56 0.94 -0.73 2.57 3.38 -1.02 -1.73 115.31 119.28 1yce h LEU 11 Ca 0.07 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.61 1yce h LEU 11 Cb 0.80 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 1yce h LEU 11 CO 0.06 1.25 0.45 0.00 0.09 0.00 0.00 178.44 180.30 1yce h ALA 12 N 0.78 0.96 -0.42 1.53 0.00 -1.24 -1.71 119.26 119.16 1yce h ALA 12 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1yce h ALA 12 Cb 1.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1yce h ALA 12 CO 0.11 0.23 -0.09 0.00 0.00 0.00 0.00 179.25 179.49 1yce h ALA 13 N 1.32 1.05 -0.74 0.00 0.00 -1.36 -2.76 119.26 116.77 1yce h ALA 13 Ca 0.30 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yce h ALA 13 Cb 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1yce h ALA 13 CO -0.12 0.58 0.45 0.77 0.00 0.00 0.00 179.25 180.93 1yce h SER 14 N 0.68 0.89 -0.27 0.00 0.02 -0.93 0.01 113.55 113.95 1yce h SER 14 Ca 0.12 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1yce h SER 14 Cb 0.55 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1yce h SER 14 CO 0.03 0.69 0.17 0.00 -1.14 0.00 0.00 176.83 176.58 1yce h ALA 15 N 1.23 0.34 -0.55 3.77 0.00 -1.16 -0.46 119.26 122.43 1yce h ALA 15 Ca 0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1yce h ALA 15 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1yce h ALA 15 CO -0.05 -0.21 0.21 0.28 0.00 0.00 0.00 179.25 179.49 1yce h VAL 16 N 0.34 1.22 -0.74 0.00 2.07 -1.33 -2.58 116.25 115.23 1yce h VAL 16 Ca 0.10 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1yce h VAL 16 Cb -0.02 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 1yce h VAL 16 CO -0.04 0.27 0.38 1.23 0.02 0.00 0.00 177.57 179.43 1yce h GLY 17 N 0.75 1.13 0.82 2.17 0.00 -0.82 -1.92 103.07 105.20 1yce h GLY 17 Ca 0.18 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1yce h GLY 17 CO -0.01 0.52 0.01 0.00 0.00 0.00 0.00 176.54 177.06 1yce h ALA 18 N 1.19 0.06 -0.95 3.60 0.00 -0.98 -1.91 119.26 120.27 1yce h ALA 18 Ca 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1yce h ALA 18 Cb 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1yce h ALA 18 CO -0.04 -0.34 0.61 0.78 0.00 0.00 0.00 179.25 180.26 1yce h GLY 19 N -0.12 1.35 0.98 0.00 0.00 -1.40 -2.85 103.07 101.03 1yce h GLY 19 Ca 0.01 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 1yce h GLY 19 CO -0.00 0.51 0.13 -0.84 0.00 0.00 0.00 176.54 176.34 1yce h THR 20 N 1.29 1.24 -0.74 4.70 2.02 -1.23 -2.85 112.91 117.34 1yce h THR 20 Ca 0.34 -0.84 0.10 0.00 0.77 0.00 0.00 66.41 66.78 1yce h THR 20 Cb -0.11 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.07 1yce h THR 20 CO -0.07 0.30 0.49 0.00 0.37 0.00 0.00 175.52 176.61 1yce h ALA 21 N 1.00 1.85 0.00 6.16 0.00 -1.11 -2.22 119.26 124.93 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 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1yce h ALA 21 CO 0.00 -0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.91 1yce n MET 22 N -4.49 0.06 0.26 0.00 2.81 -1.08 -2.40 117.12 112.28 1yce n MET 22 Ca 0.12 0.33 0.10 0.00 -1.81 0.00 0.00 57.70 56.44 1yce n MET 22 Cb 0.35 -1.63 0.69 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 0.90 -0.50 2.02 2.04 -1.48 -2.15 117.51 118.34 1yce h ILE 23 Ca 0.00 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.00 1yce h ILE 23 Cb 0.26 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1yce h ILE 23 CO 0.00 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.64 1yce h ALA 24 N 1.99 2.26 0.00 1.87 0.00 -1.69 -2.44 119.26 121.25 1yce h ALA 24 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 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 -0.74 0.04 0.41 0.00 0.00 0.00 179.25 178.96 1yce n GLY 25 N -1.53 -0.71 0.30 0.00 0.00 -0.81 -1.91 105.19 100.53 1yce n GLY 25 Ca 0.09 0.13 -0.04 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 1.20 0.86 -0.61 2.04 -1.68 -3.25 117.51 116.07 1yce h ILE 26 Ca 0.00 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1yce h ILE 26 Cb 0.09 0.05 0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1yce h ILE 26 CO 0.00 0.19 -0.41 1.23 0.00 0.00 0.00 178.15 179.16 1yce h GLY 27 N 1.06 -1.20 0.35 5.37 0.00 -1.64 -2.56 103.07 104.45 1yce h GLY 27 Ca 0.29 0.44 0.16 0.00 0.00 0.00 0.00 47.33 48.22 1yce h GLY 27 CO -0.06 -0.44 0.61 -2.55 0.00 0.00 0.00 176.54 174.10 1yce h PRO 28 N -1.26 0.78 -0.73 4.80 0.11 -1.75 -1.48 132.00 132.47 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 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.79 1yce h PRO 28 CO 0.19 0.52 0.45 0.78 -0.21 0.00 0.00 178.00 179.73 1yce h GLY 29 N 0.81 1.06 0.66 -0.55 0.00 -1.54 -0.11 103.07 103.39 1yce h GLY 29 Ca 0.51 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1yce h GLY 29 CO -0.28 0.42 -0.15 -2.08 0.00 0.00 0.00 176.54 174.45 1yce h VAL 30 N 1.00 0.67 -0.34 4.60 2.07 -1.02 -2.84 116.25 120.38 1yce h VAL 30 Ca 0.26 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 1yce h VAL 30 Cb -0.05 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1yce h VAL 30 CO -0.05 0.11 0.02 1.23 0.02 0.00 0.00 177.57 178.90 1yce h GLY 31 N -0.77 0.64 1.82 2.17 0.00 -1.26 -2.40 103.07 103.27 1yce h GLY 31 Ca -0.04 -0.45 -0.08 0.00 0.00 0.00 0.00 47.33 46.76 1yce h GLY 31 CO 0.07 0.42 -0.27 1.46 0.00 0.00 0.00 176.54 178.22 1yce h GLN 32 N 0.41 0.21 -0.39 4.80 4.20 -1.14 -2.15 115.11 121.05 1yce h GLN 32 Ca 0.10 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 1yce h GLN 32 Cb 0.42 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1yce h GLN 32 CO 0.01 0.47 -0.32 0.78 -0.67 0.00 0.00 178.83 179.11 1yce h GLY 33 N 0.97 0.93 0.76 3.46 0.00 -1.34 -1.23 103.07 106.63 1yce h GLY 33 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1yce h GLY 33 CO 0.04 0.80 -0.20 -1.82 0.00 0.00 0.00 176.54 175.36 1yce h TYR 34 N 0.72 -0.54 -0.95 5.60 3.20 -1.19 -1.34 116.97 122.48 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 0.88 0.21 -0.08 0.00 1.54 0.00 0.00 36.73 39.28 1yce h TYR 34 CO 0.05 -0.30 0.60 0.00 -1.64 0.00 0.00 178.16 176.87 1yce h ALA 35 N 0.29 1.63 -0.70 1.82 0.00 -1.23 -1.17 119.26 119.90 1yce h ALA 35 Ca -0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1yce h ALA 35 Cb 0.41 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1yce h ALA 35 CO -0.05 0.14 0.18 0.00 0.00 0.00 0.00 179.25 179.53 1yce h ALA 36 N 1.56 1.00 -0.42 0.00 0.00 -0.95 -1.71 119.26 118.73 1yce h ALA 36 Ca 0.46 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1yce h ALA 36 Cb 0.52 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1yce h ALA 36 CO -0.23 0.65 0.13 0.78 0.00 0.00 0.00 179.25 180.59 1yce h GLY 37 N 1.08 0.70 1.19 0.00 0.00 -0.08 -1.65 103.07 104.32 1yce h GLY 37 Ca 0.22 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1yce h GLY 37 CO -0.00 0.39 0.25 0.50 0.00 0.00 0.00 176.54 177.68 1yce h LYS 38 N 0.54 1.03 -0.83 4.80 1.79 -1.24 -2.60 116.57 120.06 1yce h LYS 38 Ca 0.14 -0.19 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1yce h LYS 38 Cb 0.26 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 30.71 1yce h LYS 38 CO -0.00 0.85 0.41 0.00 -1.08 0.00 0.00 179.45 179.62 1yce h ALA 39 N 1.27 1.15 0.22 3.86 0.00 -1.05 -2.59 119.26 122.12 1yce h ALA 39 Ca 0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1yce h ALA 39 Cb 0.23 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1yce h ALA 39 CO -0.02 0.65 -0.11 0.28 0.00 0.00 0.00 179.25 180.06 1yce h VAL 40 N 1.18 0.82 -0.20 0.00 2.07 -1.08 -2.18 116.25 116.86 1yce h VAL 40 Ca 0.29 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.62 1yce h VAL 40 Cb 0.11 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1yce h VAL 40 CO -0.04 0.04 0.13 -0.08 0.02 0.00 0.00 177.57 177.65 1yce h GLU 41 N -0.39 0.25 0.12 1.57 4.81 -1.46 -3.04 114.58 116.45 1yce h GLU 41 Ca -0.03 -0.02 -0.28 0.00 -0.13 0.00 0.00 59.36 58.90 1yce h GLU 41 Cb 0.30 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 1yce h GLU 41 CO 0.05 0.17 -1.33 0.77 -0.73 0.00 0.00 179.01 177.94 1yce h SER 42 N 0.26 0.40 0.25 1.04 0.02 -1.24 -2.78 113.55 111.49 1yce h SER 42 Ca 0.07 -0.46 -0.08 0.00 -0.84 0.00 0.00 61.79 60.48 1yce h SER 42 Cb -0.02 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 1yce h SER 42 CO -0.02 1.37 -0.33 -0.37 -1.14 0.00 0.00 176.83 176.34 1yce h VAL 43 N 0.07 1.26 -0.40 2.27 -1.51 -1.43 0.15 116.25 116.66 1yce h VAL 43 Ca -0.17 -1.24 -0.06 0.00 -1.23 0.00 0.00 66.70 64.01 1yce h VAL 43 Cb 1.98 1.58 -0.01 0.00 -2.13 0.00 0.00 31.29 32.71 1yce h VAL 43 CO 0.19 0.36 -0.00 0.00 -1.23 0.00 0.00 177.57 176.89 1yce h ALA 44 N 1.56 0.54 0.04 5.19 0.00 -1.44 -2.19 119.26 122.95 1yce h ALA 44 Ca 0.01 -0.26 -0.26 0.00 0.00 0.00 0.00 54.91 54.40 1yce h ALA 44 Cb 0.64 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1yce h ALA 44 CO 0.05 0.32 -1.36 0.00 0.00 0.00 0.00 179.25 178.26 1yce h ARG 45 N 0.53 0.08 -1.71 0.00 3.08 -1.52 -3.40 114.38 111.43 1yce h ARG 45 Ca 0.11 -0.14 -0.49 0.00 0.07 0.00 0.00 59.98 59.54 1yce h ARG 45 Cb 0.48 0.05 -0.41 0.00 0.08 0.00 0.00 29.97 30.17 1yce h ARG 45 CO 0.02 0.90 -1.01 1.04 -1.07 0.00 0.00 179.97 179.85 1yce n GLN 46 N -3.30 1.86 -0.21 0.04 1.13 0.04 -4.96 117.38 111.97 1yce n GLN 46 Ca -0.10 -3.82 0.25 0.00 -1.94 0.00 0.00 57.00 51.39 1yce n GLN 46 Cb 1.00 -1.77 0.64 0.00 0.11 0.00 0.00 30.24 30.22 1yce n GLN 46 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1yce h PRO 47 N 2.93 0.15 -0.46 -1.09 0.13 -1.57 0.39 132.00 132.49 1yce h PRO 47 Ca 0.08 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 65.26 1yce h PRO 47 Cb 0.92 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 1yce h PRO 47 CO 0.62 0.10 0.31 1.05 -0.23 0.00 0.00 178.00 179.85 1yce h GLU 48 N 0.16 0.37 -0.61 0.86 -0.00 -1.93 -2.80 114.58 110.63 1yce h GLU 48 Ca 0.46 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.80 1yce h GLU 48 Cb 1.54 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 30.21 1yce h GLU 48 CO -0.08 0.25 0.00 0.00 -0.00 0.00 0.00 179.01 179.17 1yce n ALA 49 N -2.51 2.89 -0.32 1.06 0.00 0.14 -4.56 120.51 117.20 1yce n ALA 49 Ca 0.06 -0.86 0.09 0.00 0.00 0.00 0.00 53.44 52.73 1yce n ALA 49 Cb 0.24 -1.03 0.30 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 0.84 0.65 0.00 3.64 -1.60 -0.04 116.57 122.22 1yce h LYS 50 Ca 0.00 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1yce h LYS 50 Cb 0.95 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1yce h LYS 50 CO 0.15 0.56 -0.31 0.78 -2.27 0.00 0.00 179.45 178.35 1yce h GLY 51 N 0.87 -0.92 0.15 5.01 0.00 -1.87 -1.48 103.07 104.83 1yce h GLY 51 Ca 0.48 0.34 0.18 0.00 0.00 0.00 0.00 47.33 48.33 1yce h GLY 51 CO -0.25 -0.33 0.60 -0.55 0.00 0.00 0.00 176.54 176.02 1yce h ASP 52 N -1.10 0.78 0.38 0.19 3.32 -1.85 -1.19 116.42 116.96 1yce h ASP 52 Ca -0.09 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1yce h ASP 52 Cb 0.71 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1yce h ASP 52 CO 0.15 0.29 -0.18 0.40 -1.72 0.00 0.00 179.24 178.17 1yce h ILE 53 N 0.77 0.63 -0.36 0.35 2.04 -0.77 -0.79 117.51 119.38 1yce h ILE 53 Ca 0.57 -0.19 -0.16 0.00 1.00 0.00 0.00 64.86 66.08 1yce h ILE 53 Cb 0.86 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1yce h ILE 53 CO -0.38 0.04 -0.42 0.40 0.00 0.00 0.00 178.15 177.79 1yce h ILE 54 N -0.62 1.27 -0.52 -0.67 2.04 -1.25 0.14 117.51 117.90 1yce h ILE 54 Ca -0.05 -1.60 -0.12 0.00 1.00 0.00 0.00 64.86 64.09 1yce h ILE 54 Cb 0.46 1.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1yce h ILE 54 CO 0.09 0.53 -0.14 0.77 0.00 0.00 0.00 178.15 179.40 1yce h SER 55 N 0.73 1.02 -0.55 1.72 4.64 -1.23 -1.52 113.55 118.37 1yce h SER 55 Ca 0.05 -0.35 -0.10 0.00 -0.47 0.00 0.00 61.79 60.92 1yce h SER 55 Cb 1.01 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1yce h SER 55 CO 0.10 1.15 -0.05 0.74 -0.87 0.00 0.00 176.83 177.90 1yce h THR 56 N 0.89 1.27 -0.18 2.95 2.02 -1.07 -2.03 112.91 116.76 1yce h THR 56 Ca 0.13 -1.18 0.01 0.00 0.77 0.00 0.00 66.41 66.14 1yce h THR 56 Cb 0.71 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1yce h THR 56 CO 0.05 0.42 0.10 -0.03 0.37 0.00 0.00 175.52 176.44 1yce h MET 57 N 0.87 0.21 -0.52 6.66 -1.53 -0.77 -1.87 114.93 117.98 1yce h MET 57 Ca 0.15 -0.01 -0.06 0.00 -3.44 0.00 0.00 59.70 56.34 1yce h MET 57 Cb 0.60 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 31.58 1yce h MET 57 CO 0.04 0.14 0.10 0.28 0.14 0.00 0.00 176.91 177.60 1yce h VAL 58 N 0.21 1.25 -0.03 -5.77 2.07 -1.25 -0.34 116.25 112.39 1yce h VAL 58 Ca 0.07 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1yce h VAL 58 Cb -0.00 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1yce h VAL 58 CO -0.03 0.33 0.02 0.25 0.02 0.00 0.00 177.57 178.16 1yce h LEU 59 N 0.74 0.04 -0.64 2.57 6.46 -1.23 -0.21 115.31 123.04 1yce h LEU 59 Ca 0.16 -0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.78 1yce h LEU 59 Cb 0.38 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.29 1yce h LEU 59 CO 0.01 0.04 -0.31 1.23 -0.62 0.00 0.00 178.44 178.79 1yce h GLY 60 N 0.03 0.79 1.02 3.75 0.00 -1.29 -2.48 103.07 104.90 1yce h GLY 60 Ca 0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 47.33 46.57 1yce h GLY 60 CO -0.00 0.66 0.24 1.46 0.00 0.00 0.00 176.54 178.90 1yce h GLN 61 N 0.62 1.01 -0.57 4.80 4.20 -1.03 -2.63 115.11 121.52 1yce h GLN 61 Ca 0.07 -0.20 0.04 0.00 0.06 0.00 0.00 58.65 58.63 1yce h GLN 61 Cb 0.83 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.41 1yce h GLN 61 CO 0.07 0.86 0.31 0.00 -0.67 0.00 0.00 178.83 179.40 1yce h ALA 62 N 1.10 0.74 -0.52 3.87 0.00 -0.74 -1.61 119.26 122.10 1yce h ALA 62 Ca 0.22 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1yce h ALA 62 Cb 0.25 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1yce h ALA 62 CO -0.01 -0.01 0.34 0.28 0.00 0.00 0.00 179.25 179.84 1yce h VAL 63 N 0.59 1.11 0.00 0.00 2.07 -1.39 -2.14 116.25 116.50 1yce h VAL 63 Ca 0.25 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1yce h VAL 63 Cb 0.12 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1yce h VAL 63 CO -0.15 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.57 1yce h ALA 64 N 1.21 1.00 0.00 1.67 0.00 -1.02 -2.85 119.26 119.26 1yce h ALA 64 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1yce h ALA 64 Cb -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1yce h ALA 64 CO -0.06 0.00 -0.37 1.49 0.00 0.00 0.00 179.25 180.32 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 0.18 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.69 1yce h GLU 65 CO 0.00 0.37 0.64 0.66 -1.18 0.00 0.00 179.01 179.49 1yce h SER 66 N 0.00 0.94 1.11 1.04 4.64 -1.56 -1.02 113.55 118.71 1yce h SER 66 Ca -0.00 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 1yce h SER 66 Cb 1.17 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 1yce h SER 66 CO 0.05 0.52 -0.32 0.71 -0.87 0.00 0.00 176.83 176.91 1yce h THR 67 N 1.02 0.68 -0.47 2.95 1.35 -1.83 -0.83 112.91 115.77 1yce h THR 67 Ca 0.49 -1.49 -0.13 0.00 -0.55 0.00 0.00 66.41 64.73 1yce h THR 67 Cb 0.45 1.99 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 1yce h THR 67 CO -0.25 0.31 -0.20 1.23 -0.25 0.00 0.00 175.52 176.36 1yce h GLY 68 N 2.53 1.03 1.05 5.82 0.00 -1.47 -2.67 103.07 109.36 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 0.82 -0.06 -2.22 0.00 0.00 0.00 176.54 175.12 1yce h ILE 69 N 0.83 1.27 -0.23 2.60 1.08 -1.05 -2.38 117.51 119.63 1yce h ILE 69 Ca 0.11 -1.19 0.01 0.00 -0.39 0.00 0.00 64.86 63.41 1yce h ILE 69 Cb 0.77 1.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 1yce h ILE 69 CO 0.06 0.42 0.12 1.88 -0.69 0.00 0.00 178.15 179.94 1yce h TYR 70 N 0.80 0.22 -0.33 1.37 0.05 -1.12 0.63 116.97 118.59 1yce h TYR 70 Ca 0.14 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.95 1yce h TYR 70 Cb 0.61 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.25 1yce h TYR 70 CO 0.04 0.13 0.14 0.77 -1.05 0.00 0.00 178.16 178.20 1yce h SER 71 N 0.25 0.19 -0.99 3.88 0.02 -1.50 -1.59 113.55 113.82 1yce h SER 71 Ca 0.09 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1yce h SER 71 Cb 0.02 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.48 1yce h SER 71 CO -0.06 0.15 0.64 0.25 -1.14 0.00 0.00 176.83 176.67 1yce h LEU 72 N 0.31 1.03 -0.33 5.07 5.85 -0.88 0.19 115.31 126.55 1yce h LEU 72 Ca 0.14 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1yce h LEU 72 Cb 0.08 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1yce h LEU 72 CO -0.12 0.66 -0.03 0.58 -0.34 0.00 0.00 178.44 179.19 1yce h VAL 73 N 1.17 1.27 -0.51 1.05 2.07 -0.45 -1.29 116.25 119.56 1yce h VAL 73 Ca 0.42 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1yce h VAL 73 Cb 0.15 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1yce h VAL 73 CO -0.17 0.33 0.32 0.40 0.02 0.00 0.00 177.57 178.48 1yce h ILE 74 N 0.39 1.15 -0.71 4.57 1.08 -0.74 -0.77 117.51 122.47 1yce h ILE 74 Ca 0.09 -0.31 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1yce h ILE 74 Cb 0.49 0.43 -0.03 0.00 -3.07 0.00 0.00 36.82 34.64 1yce h ILE 74 CO 0.02 0.15 0.42 0.00 -0.69 0.00 0.00 178.15 178.05 1yce h ALA 75 N 1.16 0.91 0.00 1.87 0.00 -0.84 -2.08 119.26 120.28 1yce h ALA 75 Ca 0.19 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1yce h ALA 75 Cb -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1yce h ALA 75 CO -0.04 0.38 -0.53 -0.07 0.00 0.00 0.00 179.25 178.99 1yce h LEU 76 N 0.97 0.00 0.18 0.00 3.38 -0.88 -1.76 115.31 117.21 1yce h LEU 76 Ca 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.22 1yce h LEU 76 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1yce h LEU 76 CO -0.05 0.53 -0.09 0.40 0.09 0.00 0.00 178.44 179.33 1yce h ILE 77 N 0.00 0.92 -0.94 1.22 2.04 -0.97 -0.19 117.51 119.58 1yce h ILE 77 Ca -0.01 -0.54 0.10 0.00 1.00 0.00 0.00 64.86 65.42 1yce h ILE 77 Cb 1.03 1.24 -0.07 0.00 -0.74 0.00 0.00 36.82 38.28 1yce h ILE 77 CO 0.07 0.12 0.60 -0.07 0.00 0.00 0.00 178.15 178.88 1yce h LEU 78 N -0.51 0.87 0.17 1.44 3.38 -1.24 0.36 115.31 119.78 1yce h LEU 78 Ca -0.03 0.03 -0.32 0.00 0.09 0.00 0.00 57.88 57.66 1yce h LEU 78 Cb 0.39 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.00 1yce h LEU 78 CO 0.04 0.50 -1.49 -0.07 0.09 0.00 0.00 178.44 177.51 1yce h LEU 79 N 0.95 0.57 0.00 1.67 3.38 -1.31 -3.39 115.31 117.18 1yce h LEU 79 Ca 0.45 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1yce h LEU 79 Cb 0.42 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1yce h LEU 79 CO -0.21 1.56 -0.66 -1.22 0.09 0.00 0.00 178.44 178.00 1yce n TYR 80 N -3.57 0.00 -2.92 1.13 4.02 -0.09 -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 1.06 -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 2.74 -1.91 -0.72 0.00 0.05 -5.02 120.51 114.32 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 0.01 -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 -2.78 6.58 0.00 0.00 3.84 -0.82 -4.67 114.94 117.08 1yce s ASN 82 Ca 0.34 2.34 0.28 0.00 0.21 0.00 0.00 52.86 56.03 1yce s ASN 82 Cb 0.40 -2.53 1.10 0.00 -0.55 0.00 0.00 41.25 39.67 1yce s ASN 82 CO -0.02 -0.99 1.83 -0.81 -2.79 0.00 0.00 177.10 174.32 1yce n PRO 83 N 7.29 0.00 0.04 0.43 -0.04 -1.26 -4.04 135.00 137.43 1yce n PRO 83 Ca 0.18 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.43 1yce n PRO 83 Cb 0.42 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.47 0.54 0.05 -1.98 -3.37 116.94 112.30 1yce h PHE 84 Ca 0.00 -0.44 0.12 0.00 3.82 0.00 0.00 57.97 61.47 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 1.72 0.33 -0.39 -0.18 0.00 0.00 178.31 179.79 1yce h VAL 85 N 0.09 0.81 0.00 -0.55 -1.51 -1.98 -0.90 116.25 112.21 1yce h VAL 85 Ca -0.38 -0.03 -0.04 0.00 -1.23 0.00 0.00 66.70 65.02 1yce h VAL 85 Cb 2.07 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.93 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 0.09 0.00 1.91 5.19 0.00 -1.80 -3.17 103.07 105.30 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 -0.35 -4.84 117.00 111.83 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 -0.07 0.53 -0.76 -1.33 0.00 0.00 177.39 176.12 1yce s LEU 88 N -2.91 4.31 0.00 2.23 1.43 -1.20 -5.14 118.68 117.41 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 -3.28 0.00 0.00 0.03 0.00 0.00 46.19 43.10 1yce s LEU 88 CO 0.43 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.41