#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 0.68 0.01 0.00 1.18 0.00 0.00 52.55 54.42 1yce s ASP 2 Cb 0.00 -1.44 -0.05 0.00 -0.34 0.00 0.00 42.92 41.09 1yce s ASP 2 CO 0.00 -1.43 1.35 -0.03 0.68 0.00 0.00 175.17 175.73 1yce h MET 3 N -0.54 0.21 -0.60 2.11 1.85 -2.03 -2.35 114.93 113.59 1yce h MET 3 Ca -0.45 -0.25 -0.10 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 1.03 -0.58 3.39 5.85 -1.99 -1.64 115.31 121.48 1yce h LEU 4 Ca -0.05 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1yce h LEU 4 Cb 1.56 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.29 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 0.96 0.89 0.07 1.25 -0.00 -1.94 -0.85 116.94 117.33 1yce h PHE 5 Ca 0.17 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.97 58.07 1yce h PHE 5 Cb 0.56 -0.27 0.00 0.00 -0.00 0.00 0.00 35.95 36.25 1yce h PHE 5 CO 0.04 0.72 -0.04 0.00 -0.00 0.00 0.00 178.31 179.03 1yce h ALA 6 N 1.08 -0.10 -0.50 2.41 0.00 -1.11 -2.10 119.26 118.94 1yce h ALA 6 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1yce h ALA 6 Cb 0.21 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1yce h ALA 6 CO -0.01 -0.56 0.27 0.87 0.00 0.00 0.00 179.25 179.82 1yce h LYS 7 N -0.10 0.70 -0.37 0.00 1.57 -1.29 -2.52 116.57 114.55 1yce h LYS 7 Ca -0.01 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1yce h LYS 7 Cb 0.08 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 1yce h LYS 7 CO 0.01 0.55 -0.08 1.15 -0.57 0.00 0.00 179.45 180.51 1yce h THR 8 N 0.66 0.64 -0.03 -0.16 2.02 -0.94 -0.31 112.91 114.80 1yce h THR 8 Ca 0.17 -0.01 -0.17 0.00 0.77 0.00 0.00 66.41 67.18 1yce h THR 8 Cb 0.05 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1yce h THR 8 CO -0.03 0.00 -0.74 -0.37 0.37 0.00 0.00 175.52 174.76 1yce h VAL 9 N 0.01 1.45 -0.35 3.16 -1.51 -1.26 -1.18 116.25 116.58 1yce h VAL 9 Ca 0.18 -2.32 -0.12 0.00 -1.23 0.00 0.00 66.70 63.21 1yce h VAL 9 Cb 0.27 2.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.67 1yce h VAL 9 CO -0.37 0.68 -0.24 0.58 -1.23 0.00 0.00 177.57 176.98 1yce h VAL 10 N 0.13 1.29 -0.39 7.19 2.07 -1.23 -2.21 116.25 123.09 1yce h VAL 10 Ca -0.02 -1.39 -0.16 0.00 0.82 0.00 0.00 66.70 65.95 1yce h VAL 10 Cb 1.30 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 1yce h VAL 10 CO 0.11 0.46 -0.38 -0.07 0.02 0.00 0.00 177.57 177.71 1yce h LEU 11 N 0.56 1.01 -0.71 2.57 3.38 -1.04 -1.72 115.31 119.36 1yce h LEU 11 Ca 0.07 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.61 1yce h LEU 11 Cb 0.80 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1yce h LEU 11 CO 0.07 1.26 0.44 0.00 0.09 0.00 0.00 178.44 180.30 1yce h ALA 12 N 0.78 0.93 -0.42 1.53 0.00 -1.19 -1.48 119.26 119.41 1yce h ALA 12 Ca 0.06 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1yce h ALA 12 Cb 0.97 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1yce h ALA 12 CO 0.09 0.21 -0.08 0.00 0.00 0.00 0.00 179.25 179.47 1yce h ALA 13 N 1.31 1.06 -0.73 0.00 0.00 -1.35 -2.72 119.26 116.82 1yce h ALA 13 Ca 0.29 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1yce h ALA 13 Cb 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1yce h ALA 13 CO -0.12 0.58 0.43 0.77 0.00 0.00 0.00 179.25 180.91 1yce h SER 14 N 0.68 0.90 -0.31 0.00 0.02 -0.92 0.07 113.55 113.99 1yce h SER 14 Ca 0.12 -0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.01 1yce h SER 14 Cb 0.54 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1yce h SER 14 CO 0.03 0.71 0.17 0.00 -1.14 0.00 0.00 176.83 176.60 1yce h ALA 15 N 1.22 0.38 -0.53 3.77 0.00 -1.10 -0.19 119.26 122.81 1yce h ALA 15 Ca 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1yce h ALA 15 Cb -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1yce h ALA 15 CO -0.05 -0.21 0.22 0.28 0.00 0.00 0.00 179.25 179.50 1yce h VAL 16 N 0.34 1.21 -0.67 0.00 2.07 -1.32 -2.61 116.25 115.27 1yce h VAL 16 Ca 0.13 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 1yce h VAL 16 Cb 0.02 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1yce h VAL 16 CO -0.08 0.25 0.41 1.23 0.02 0.00 0.00 177.57 179.40 1yce h GLY 17 N 0.72 0.98 0.87 2.17 0.00 -0.80 -1.89 103.07 105.12 1yce h GLY 17 Ca 0.18 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1yce h GLY 17 CO -0.02 0.40 0.03 0.00 0.00 0.00 0.00 176.54 176.95 1yce h ALA 18 N 1.21 0.10 -0.74 3.60 0.00 -0.93 -1.90 119.26 120.59 1yce h ALA 18 Ca 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1yce h ALA 18 Cb -0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1yce h ALA 18 CO -0.05 -0.33 0.33 0.78 0.00 0.00 0.00 179.25 179.99 1yce h GLY 19 N -0.02 1.15 0.96 0.00 0.00 -1.39 -2.81 103.07 100.96 1yce h GLY 19 Ca 0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 1yce h GLY 19 CO -0.00 0.55 0.16 -0.84 0.00 0.00 0.00 176.54 176.41 1yce h THR 20 N 1.06 1.22 -0.80 4.70 2.02 -1.21 -2.86 112.91 117.03 1yce h THR 20 Ca 0.25 -0.73 0.11 0.00 0.77 0.00 0.00 66.41 66.81 1yce h THR 20 Cb 0.15 0.79 -0.06 0.00 -1.74 0.00 0.00 68.15 67.30 1yce h THR 20 CO -0.03 0.27 0.52 0.00 0.37 0.00 0.00 175.52 176.65 1yce h ALA 21 N 1.01 1.82 0.00 6.16 0.00 -1.09 -2.09 119.26 125.07 1yce h ALA 21 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 21 Cb 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1yce h ALA 21 CO -0.01 -0.00 0.00 -1.33 0.00 0.00 0.00 179.25 177.91 1yce n MET 22 N -4.51 0.08 0.27 0.00 2.81 -1.08 -2.44 117.12 112.25 1yce n MET 22 Ca 0.14 0.36 0.11 0.00 -1.81 0.00 0.00 57.70 56.50 1yce n MET 22 Cb 0.38 -1.67 0.75 0.00 -0.71 0.00 0.00 33.22 31.97 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 0.80 -0.50 2.02 2.04 -1.46 -2.13 117.51 118.29 1yce h ILE 23 Ca 0.00 -0.02 0.14 0.00 1.00 0.00 0.00 64.86 65.98 1yce h ILE 23 Cb 0.26 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.33 1yce h ILE 23 CO 0.00 0.01 0.47 0.00 0.00 0.00 0.00 178.15 178.63 1yce h ALA 24 N 1.99 2.27 0.00 1.87 0.00 -1.69 -2.44 119.26 121.26 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 0.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1yce h ALA 24 CO 0.00 -0.73 0.07 0.41 0.00 0.00 0.00 179.25 179.00 1yce n GLY 25 N -1.54 -0.66 0.30 0.00 0.00 -0.80 -1.85 105.19 100.63 1yce n GLY 25 Ca 0.09 0.11 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 1.21 0.83 -0.61 2.04 -1.68 -3.24 117.51 116.05 1yce h ILE 26 Ca 0.00 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.40 1yce h ILE 26 Cb 0.14 0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.36 1yce h ILE 26 CO 0.00 0.21 -0.40 1.23 0.00 0.00 0.00 178.15 179.19 1yce h GLY 27 N 1.03 -1.17 0.41 5.37 0.00 -1.63 -2.55 103.07 104.53 1yce h GLY 27 Ca 0.27 0.43 0.15 0.00 0.00 0.00 0.00 47.33 48.18 1yce h GLY 27 CO -0.05 -0.42 0.61 -2.55 0.00 0.00 0.00 176.54 174.12 1yce h PRO 28 N -1.23 0.79 -0.71 4.80 0.11 -1.75 -1.40 132.00 132.61 1yce h PRO 28 Ca -0.11 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.95 1yce h PRO 28 Cb 0.87 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 1yce h PRO 28 CO 0.19 0.52 0.47 0.78 -0.21 0.00 0.00 178.00 179.75 1yce h GLY 29 N 0.81 1.00 0.67 -0.55 0.00 -1.53 0.10 103.07 103.57 1yce h GLY 29 Ca 0.50 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1yce h GLY 29 CO -0.26 0.37 -0.15 -2.08 0.00 0.00 0.00 176.54 174.41 1yce h VAL 30 N 0.96 0.67 -0.34 4.60 2.07 -1.01 -2.81 116.25 120.39 1yce h VAL 30 Ca 0.26 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 1yce h VAL 30 Cb -0.10 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1yce h VAL 30 CO -0.06 0.11 0.03 1.23 0.02 0.00 0.00 177.57 178.91 1yce h GLY 31 N -0.76 0.62 1.83 2.17 0.00 -1.23 -2.38 103.07 103.32 1yce h GLY 31 Ca -0.04 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 1yce h GLY 31 CO 0.07 0.40 -0.30 1.46 0.00 0.00 0.00 176.54 178.17 1yce h GLN 32 N 0.40 0.20 -0.38 4.80 4.20 -1.10 -2.20 115.11 121.03 1yce h GLN 32 Ca 0.10 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.59 1yce h GLN 32 Cb 0.39 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1yce h GLN 32 CO 0.01 0.49 -0.33 0.78 -0.67 0.00 0.00 178.83 179.11 1yce h GLY 33 N 1.04 0.93 0.69 3.46 0.00 -1.32 -1.34 103.07 106.52 1yce h GLY 33 Ca 0.03 -0.90 0.01 0.00 0.00 0.00 0.00 47.33 46.47 1yce h GLY 33 CO 0.05 0.81 -0.22 -1.82 0.00 0.00 0.00 176.54 175.36 1yce h TYR 34 N 0.71 -0.57 -0.88 5.60 3.20 -1.21 -1.32 116.97 122.51 1yce h TYR 34 Ca 0.07 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.05 1yce h TYR 34 Cb 0.90 0.23 -0.06 0.00 1.54 0.00 0.00 36.73 39.33 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 0.31 1.68 -0.58 1.82 0.00 -1.22 -1.00 119.26 120.28 1yce h ALA 35 Ca 0.01 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1yce h ALA 35 Cb 0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1yce h ALA 35 CO -0.09 0.13 0.03 0.00 0.00 0.00 0.00 179.25 179.32 1yce h ALA 36 N 1.57 0.95 -0.44 0.00 0.00 -0.98 -1.69 119.26 118.67 1yce h ALA 36 Ca 0.41 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1yce h ALA 36 Cb 0.46 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1yce h ALA 36 CO -0.18 0.64 0.12 0.78 0.00 0.00 0.00 179.25 180.61 1yce h GLY 37 N 1.01 0.75 1.27 0.00 0.00 -0.04 -1.69 103.07 104.36 1yce h GLY 37 Ca 0.17 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 1yce h GLY 37 CO 0.02 0.43 0.16 0.50 0.00 0.00 0.00 176.54 177.65 1yce h LYS 38 N 0.57 0.92 -0.85 4.80 1.79 -1.23 -2.10 116.57 120.48 1yce h LYS 38 Ca 0.14 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1yce h LYS 38 Cb 0.29 -0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 1yce h LYS 38 CO -0.00 0.81 0.39 0.00 -1.08 0.00 0.00 179.45 179.57 1yce h ALA 39 N 1.29 1.09 -0.26 3.86 0.00 -1.04 -2.33 119.26 121.88 1yce h ALA 39 Ca 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1yce h ALA 39 Cb 0.29 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1yce h ALA 39 CO -0.00 0.67 0.11 0.28 0.00 0.00 0.00 179.25 180.31 1yce h VAL 40 N 1.21 1.17 -0.50 0.00 2.07 -1.10 -1.96 116.25 117.14 1yce h VAL 40 Ca 0.29 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1yce h VAL 40 Cb 0.14 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1yce h VAL 40 CO -0.03 0.17 0.30 -0.08 0.02 0.00 0.00 177.57 177.94 1yce h GLU 41 N 0.27 0.69 0.00 1.57 4.81 -1.26 -2.70 114.58 117.96 1yce h GLU 41 Ca 0.09 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 1yce h GLU 41 Cb 0.17 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1yce h GLU 41 CO -0.01 0.51 -0.40 0.77 -0.73 0.00 0.00 179.01 179.16 1yce h SER 42 N 0.67 0.00 0.67 1.04 0.02 -1.43 -2.94 113.55 111.57 1yce h SER 42 Ca 0.18 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 1yce h SER 42 Cb 0.01 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1yce h SER 42 CO -0.03 0.40 -0.32 -0.37 -1.14 0.00 0.00 176.83 175.36 1yce h VAL 43 N 0.00 0.88 0.15 2.27 -1.51 -1.02 -2.38 116.25 114.64 1yce h VAL 43 Ca -0.00 -1.28 -0.01 0.00 -1.23 0.00 0.00 66.70 64.18 1yce h VAL 43 Cb 1.02 1.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.95 1yce h VAL 43 CO 0.05 0.32 -0.07 0.00 -1.23 0.00 0.00 177.57 176.64 1yce h ALA 44 N 1.68 -0.20 -0.16 5.19 0.00 -1.38 -3.23 119.26 121.16 1yce h ALA 44 Ca -0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.55 1yce h ALA 44 Cb 0.74 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1yce h ALA 44 CO 0.04 -0.31 -0.42 -0.09 0.00 0.00 0.00 179.25 178.47 1yce h ARG 45 N -0.80 0.36 -2.20 0.00 2.43 -1.57 -3.39 114.38 109.22 1yce h ARG 45 Ca -0.02 -0.18 -0.50 0.00 -0.81 0.00 0.00 59.98 58.47 1yce h ARG 45 Cb 0.53 0.00 -0.35 0.00 -0.42 0.00 0.00 29.97 29.74 1yce h ARG 45 CO 0.03 0.72 -0.83 1.14 -1.51 0.00 0.00 179.97 179.52 1yce s GLN 46 N -4.17 0.76 0.00 0.20 -2.07 -0.90 -5.00 119.66 108.49 1yce s GLN 46 Ca -0.06 -1.51 0.16 0.00 -1.82 0.00 0.00 55.36 52.14 1yce s GLN 46 Cb 0.13 -1.10 0.74 0.00 -1.09 0.00 0.00 33.01 31.70 1yce s GLN 46 CO 0.79 -1.29 1.49 -0.35 -1.32 0.00 0.00 175.29 174.61 1yce n PRO 47 N 3.51 0.11 -0.00 9.60 -0.04 -1.22 -2.93 135.00 144.03 1yce n PRO 47 Ca 0.19 0.18 0.15 0.00 -0.04 0.00 0.00 63.50 63.98 1yce n PRO 47 Cb 0.45 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.13 1yce n PRO 47 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1yce n GLU 48 N -1.40 1.32 -0.04 0.54 1.02 -1.26 -3.81 120.64 117.00 1yce n GLU 48 Ca 0.06 -0.46 0.05 0.00 -0.02 0.00 0.00 57.16 56.79 1yce n GLU 48 Cb 0.16 -1.48 0.07 0.00 -0.02 0.00 0.00 31.44 30.18 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 -0.43 2.14 -0.14 0.62 0.00 -1.15 -4.82 120.51 116.73 1yce n ALA 49 Ca 0.21 -1.83 -0.03 0.00 0.00 0.00 0.00 53.44 51.79 1yce n ALA 49 Cb 0.22 -0.20 0.05 0.00 0.00 0.00 0.00 19.45 19.52 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 0.05 0.13 0.16 0.00 3.64 -1.76 -0.46 116.57 118.33 1yce h LYS 50 Ca 0.00 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1yce h LYS 50 Cb 0.76 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 1yce h LYS 50 CO 0.00 0.09 -0.46 0.78 -2.27 0.00 0.00 179.45 177.59 1yce h GLY 51 N 0.14 -0.97 0.52 5.01 0.00 -1.92 -1.30 103.07 104.54 1yce h GLY 51 Ca 0.23 0.55 0.11 0.00 0.00 0.00 0.00 47.33 48.21 1yce h GLY 51 CO -0.36 -0.28 0.61 -0.55 0.00 0.00 0.00 176.54 175.96 1yce h ASP 52 N -0.72 0.90 0.45 0.19 3.32 -1.86 -1.64 116.42 117.05 1yce h ASP 52 Ca 0.01 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1yce h ASP 52 Cb 0.72 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1yce h ASP 52 CO -0.23 0.50 -0.21 0.40 -1.72 0.00 0.00 179.24 177.97 1yce h ILE 53 N 0.99 0.56 -0.38 0.35 2.04 -0.69 -0.30 117.51 120.07 1yce h ILE 53 Ca 0.47 -0.15 -0.16 0.00 1.00 0.00 0.00 64.86 66.02 1yce h ILE 53 Cb 0.42 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1yce h ILE 53 CO -0.25 0.03 -0.39 0.40 0.00 0.00 0.00 178.15 177.93 1yce h ILE 54 N -0.68 1.27 -0.53 -0.67 2.04 -1.19 -0.13 117.51 117.61 1yce h ILE 54 Ca -0.06 -1.57 -0.11 0.00 1.00 0.00 0.00 64.86 64.12 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 0.10 0.53 -0.11 0.77 0.00 0.00 0.00 178.15 179.44 1yce h SER 55 N 0.77 1.00 -0.56 1.72 4.64 -1.29 -1.42 113.55 118.40 1yce h SER 55 Ca 0.06 -0.33 -0.11 0.00 -0.47 0.00 0.00 61.79 60.94 1yce h SER 55 Cb 0.99 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.79 1yce h SER 55 CO 0.10 1.11 -0.08 0.74 -0.87 0.00 0.00 176.83 177.83 1yce h THR 56 N 0.89 1.27 -0.08 2.95 2.02 -0.97 -1.96 112.91 117.02 1yce h THR 56 Ca 0.14 -1.24 0.01 0.00 0.77 0.00 0.00 66.41 66.09 1yce h THR 56 Cb 0.66 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1yce h THR 56 CO 0.05 0.44 0.03 -0.03 0.37 0.00 0.00 175.52 176.38 1yce h MET 57 N 0.93 0.07 -0.53 6.66 -1.53 -0.82 -1.95 114.93 117.76 1yce h MET 57 Ca 0.15 -0.00 -0.06 0.00 -3.44 0.00 0.00 59.70 56.34 1yce h MET 57 Cb 0.65 -0.02 -0.02 0.00 -0.55 0.00 0.00 31.60 31.66 1yce h MET 57 CO 0.04 0.05 0.09 0.28 0.14 0.00 0.00 176.91 177.51 1yce h VAL 58 N 0.07 1.25 -0.03 -5.77 2.07 -1.24 -0.18 116.25 112.43 1yce h VAL 58 Ca 0.03 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1yce h VAL 58 Cb 0.01 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1yce h VAL 58 CO -0.03 0.34 -0.02 0.25 0.02 0.00 0.00 177.57 178.13 1yce h LEU 59 N 0.77 -0.07 -0.63 2.57 6.46 -1.24 -0.39 115.31 122.79 1yce h LEU 59 Ca 0.16 0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.81 1yce h LEU 59 Cb 0.41 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 1yce h LEU 59 CO 0.01 -0.03 -0.29 1.23 -0.62 0.00 0.00 178.44 178.74 1yce h GLY 60 N -0.03 0.83 1.05 3.75 0.00 -1.29 -2.45 103.07 104.94 1yce h GLY 60 Ca 0.02 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.53 1yce h GLY 60 CO -0.04 0.69 0.18 1.46 0.00 0.00 0.00 176.54 178.82 1yce h GLN 61 N 0.66 1.08 -0.50 4.80 4.20 -0.99 -2.62 115.11 121.73 1yce h GLN 61 Ca 0.08 -0.25 0.05 0.00 0.06 0.00 0.00 58.65 58.59 1yce h GLN 61 Cb 0.81 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.40 1yce h GLN 61 CO 0.07 0.95 0.23 0.00 -0.67 0.00 0.00 178.83 179.41 1yce h ALA 62 N 1.08 0.63 -0.55 3.87 0.00 -0.78 -1.73 119.26 121.77 1yce h ALA 62 Ca 0.21 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1yce h ALA 62 Cb 0.35 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1yce h ALA 62 CO -0.00 -0.13 0.34 0.28 0.00 0.00 0.00 179.25 179.74 1yce h VAL 63 N 0.46 1.07 0.00 0.00 2.07 -1.38 -2.22 116.25 116.25 1yce h VAL 63 Ca 0.22 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1yce h VAL 63 Cb 0.16 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1yce h VAL 63 CO -0.17 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.54 1yce h ALA 64 N 1.24 1.00 0.00 1.67 0.00 -1.03 -2.86 119.26 119.28 1yce h ALA 64 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1yce h ALA 64 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1yce h ALA 64 CO -0.09 0.00 -0.41 1.49 0.00 0.00 0.00 179.25 180.24 1yce h GLU 65 N 0.00 0.00 -0.93 0.00 4.57 -0.68 -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 0.20 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.70 1yce h GLU 65 CO 0.00 0.41 0.56 0.66 -1.18 0.00 0.00 179.01 179.45 1yce h SER 66 N 0.00 0.80 1.00 1.04 4.64 -1.56 -1.08 113.55 118.39 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 1.22 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 1yce h SER 66 CO 0.05 0.42 -0.33 0.71 -0.87 0.00 0.00 176.83 176.81 1yce h THR 67 N 0.88 0.74 -0.45 2.95 1.35 -1.83 -0.94 112.91 115.61 1yce h THR 67 Ca 0.46 -1.48 -0.13 0.00 -0.55 0.00 0.00 66.41 64.72 1yce h THR 67 Cb 0.48 1.95 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 1yce h THR 67 CO -0.27 0.33 -0.22 1.23 -0.25 0.00 0.00 175.52 176.33 1yce h GLY 68 N 2.34 0.98 1.04 5.82 0.00 -1.48 -2.65 103.07 109.12 1yce h GLY 68 Ca -0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 47.33 46.37 1yce h GLY 68 CO 0.04 0.78 -0.08 -2.22 0.00 0.00 0.00 176.54 175.07 1yce h ILE 69 N 0.79 1.27 -0.26 2.60 1.08 -1.06 -2.41 117.51 119.52 1yce h ILE 69 Ca 0.10 -1.20 0.01 0.00 -0.39 0.00 0.00 64.86 63.38 1yce h ILE 69 Cb 0.77 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.54 1yce h ILE 69 CO 0.06 0.42 0.14 1.88 -0.69 0.00 0.00 178.15 179.97 1yce h TYR 70 N 0.78 0.27 -0.37 1.37 0.05 -1.14 0.51 116.97 118.44 1yce h TYR 70 Ca 0.13 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.94 1yce h TYR 70 Cb 0.63 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 1yce h TYR 70 CO 0.05 0.16 0.20 0.77 -1.05 0.00 0.00 178.16 178.28 1yce h SER 71 N 0.30 0.31 -0.94 3.88 0.02 -1.49 -1.53 113.55 114.09 1yce h SER 71 Ca 0.10 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 1yce h SER 71 Cb 0.01 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.43 1yce h SER 71 CO -0.06 0.22 0.60 0.25 -1.14 0.00 0.00 176.83 176.71 1yce h LEU 72 N 0.41 0.97 -0.33 5.07 5.85 -0.91 0.07 115.31 126.42 1yce h LEU 72 Ca 0.15 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.82 1yce h LEU 72 Cb 0.03 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1yce h LEU 72 CO -0.09 0.62 -0.01 0.58 -0.34 0.00 0.00 178.44 179.20 1yce h VAL 73 N 1.11 1.26 -0.54 1.05 2.07 -0.44 -1.20 116.25 119.55 1yce h VAL 73 Ca 0.40 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1yce h VAL 73 Cb 0.14 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1yce h VAL 73 CO -0.16 0.33 0.34 0.40 0.02 0.00 0.00 177.57 178.50 1yce h ILE 74 N 0.40 1.15 -0.58 4.57 1.08 -0.78 -0.72 117.51 122.64 1yce h ILE 74 Ca 0.09 -0.31 -0.00 0.00 -0.39 0.00 0.00 64.86 64.26 1yce h ILE 74 Cb 0.47 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 1yce h ILE 74 CO 0.02 0.15 0.36 0.00 -0.69 0.00 0.00 178.15 177.99 1yce h ALA 75 N 1.18 0.73 0.00 1.87 0.00 -0.85 -1.97 119.26 120.22 1yce h ALA 75 Ca 0.20 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1yce h ALA 75 Cb -0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1yce h ALA 75 CO -0.04 0.20 -0.48 -0.07 0.00 0.00 0.00 179.25 178.86 1yce h LEU 76 N 0.78 0.00 0.13 0.00 3.38 -0.86 -1.70 115.31 117.05 1yce h LEU 76 Ca 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1yce h LEU 76 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1yce h LEU 76 CO -0.04 0.48 -0.06 0.40 0.09 0.00 0.00 178.44 179.31 1yce h ILE 77 N 0.00 1.01 -0.89 1.22 2.04 -0.97 -0.34 117.51 119.59 1yce h ILE 77 Ca -0.00 -0.58 0.09 0.00 1.00 0.00 0.00 64.86 65.36 1yce h ILE 77 Cb 0.96 1.37 -0.06 0.00 -0.74 0.00 0.00 36.82 38.35 1yce h ILE 77 CO 0.06 0.14 0.58 -0.07 0.00 0.00 0.00 178.15 178.86 1yce h LEU 78 N -0.45 0.83 0.17 1.44 3.38 -1.16 0.23 115.31 119.75 1yce h LEU 78 Ca -0.02 0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1yce h LEU 78 Cb 0.36 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1yce h LEU 78 CO 0.03 0.50 -1.49 -0.07 0.09 0.00 0.00 178.44 177.50 1yce h LEU 79 N 0.92 0.56 0.00 1.67 3.38 -1.30 -3.39 115.31 117.15 1yce h LEU 79 Ca 0.40 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1yce h LEU 79 Cb 0.34 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1yce h LEU 79 CO -0.17 1.56 -0.69 -1.22 0.09 0.00 0.00 178.44 178.01 1yce n TYR 80 N -3.56 0.00 -2.92 1.13 4.02 -0.14 -4.74 117.16 110.95 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 1.06 -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 -1.35 2.74 -1.95 -0.72 0.00 0.01 -5.02 120.51 114.22 1yce n ALA 81 Ca -0.00 -3.27 -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 6.62 0.00 0.00 3.84 -0.81 -4.67 114.94 117.14 1yce s ASN 82 Ca 0.33 2.30 0.28 0.00 0.21 0.00 0.00 52.86 55.99 1yce s ASN 82 Cb 0.41 -2.53 1.09 0.00 -0.55 0.00 0.00 41.25 39.66 1yce s ASN 82 CO -0.02 -0.96 1.82 -0.81 -2.79 0.00 0.00 177.10 174.35 1yce n PRO 83 N 7.22 0.01 0.03 0.43 -0.04 -1.26 -4.05 135.00 137.34 1yce n PRO 83 Ca 0.18 -0.00 -0.20 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 32.24 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 0.53 -0.42 0.54 0.05 -1.98 -3.37 116.94 112.30 1yce h PHE 84 Ca 0.00 -0.38 0.11 0.00 3.82 0.00 0.00 57.97 61.51 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 1.64 0.30 -0.39 -0.18 0.00 0.00 178.31 179.68 1yce h VAL 85 N 0.08 0.82 0.00 -0.55 -1.51 -1.98 -1.09 116.25 112.02 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 2.06 0.75 -0.00 0.00 -2.13 0.00 0.00 31.29 31.97 1yce h VAL 85 CO 0.13 0.01 -0.15 1.23 -1.23 0.00 0.00 177.57 177.56 1yce h GLY 86 N 0.06 0.00 1.94 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 -0.01 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 -0.42 -4.84 117.00 111.79 1yce n LEU 87 Ca 0.03 0.47 -0.41 0.00 -0.03 0.00 0.00 56.01 56.08 1yce n LEU 87 Cb 0.59 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1yce n LEU 87 CO 0.36 -0.09 0.55 -0.76 -1.33 0.00 0.00 177.39 176.12 1yce s LEU 88 N -2.94 4.31 0.00 2.23 1.43 -1.20 -5.14 118.68 117.36 1yce s LEU 88 Ca 0.13 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 1yce s LEU 88 Cb 0.15 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1yce s LEU 88 CO 0.42 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.38