#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4m h ILE 47 N 0.00 0.20 -0.67 -1.44 2.04 -2.05 0.26 117.51 115.85 1y4m h ILE 47 Ca 0.00 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.91 1y4m h ILE 47 Cb 0.00 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 1y4m h ILE 47 CO 0.00 0.00 0.44 -0.78 0.00 0.00 0.00 178.15 177.81 1y4m h ASP 48 N -1.01 0.63 -0.53 1.72 -0.00 -2.05 -0.58 116.42 114.60 1y4m h ASP 48 Ca -0.09 -0.00 -0.04 0.00 -0.00 0.00 0.00 57.03 56.90 1y4m h ASP 48 Cb 0.81 -0.14 -0.02 0.00 -0.00 0.00 0.00 39.33 39.97 1y4m h ASP 48 CO 0.11 0.42 0.17 0.74 -0.00 0.00 0.00 179.24 180.68 1y4m h THR 49 N 0.73 1.23 -0.68 2.25 2.02 -1.89 -0.58 112.91 115.99 1y4m h THR 49 Ca 0.28 -0.78 0.01 0.00 0.77 0.00 0.00 66.41 66.69 1y4m h THR 49 Cb 0.18 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 1y4m h THR 49 CO -0.08 0.29 0.44 0.24 0.37 0.00 0.00 175.52 176.78 1y4m h MET 50 N 0.72 0.87 -0.38 6.66 2.86 0.99 0.43 114.93 127.09 1y4m h MET 50 Ca 0.17 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 1y4m h MET 50 Cb 0.27 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1y4m h MET 50 CO -0.01 0.58 0.20 0.00 1.06 0.00 0.00 176.91 178.75 1y4m h ALA 51 N 1.26 0.48 -0.71 6.32 0.00 -0.84 0.04 119.26 125.82 1y4m h ALA 51 Ca 0.26 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1y4m h ALA 51 Cb -0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 1y4m h ALA 51 CO -0.07 0.01 0.22 0.87 0.00 0.00 0.00 179.25 180.28 1y4m h LYS 52 N 0.48 1.11 -0.34 0.00 1.57 -0.56 -0.46 116.57 118.37 1y4m h LYS 52 Ca 0.13 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1y4m h LYS 52 Cb 0.06 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1y4m h LYS 52 CO -0.02 0.96 0.21 0.00 -0.57 0.00 0.00 179.45 180.03 1y4m h ALA 53 N 1.11 0.43 -0.59 3.86 0.00 0.28 0.13 119.26 124.47 1y4m h ALA 53 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1y4m h ALA 53 Cb 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1y4m h ALA 53 CO -0.01 -0.13 0.37 -0.07 0.00 0.00 0.00 179.25 179.42 1y4m h LEU 54 N 0.43 0.70 0.62 0.00 3.38 -0.67 0.15 115.31 119.93 1y4m h LEU 54 Ca 0.13 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1y4m h LEU 54 Cb -0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1y4m h LEU 54 CO -0.05 0.53 -0.33 0.74 0.09 0.00 0.00 178.44 179.42 1y4m h THR 55 N 0.80 0.32 -0.53 0.22 2.02 -0.53 -0.04 112.91 115.17 1y4m h THR 55 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1y4m h THR 55 Cb -0.05 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.65 1y4m h THR 55 CO -0.04 0.00 0.35 0.00 0.37 0.00 0.00 175.52 176.20 1y4m h THR 56 N -0.88 1.14 -0.23 3.16 1.03 -0.91 -1.29 112.91 114.94 1y4m h THR 56 Ca -0.08 -0.27 -0.03 0.00 -0.01 0.00 0.00 66.41 66.02 1y4m h THR 56 Cb 0.70 0.37 -0.01 0.00 -1.07 0.00 0.00 68.15 68.13 1y4m h THR 56 CO 0.11 0.14 0.02 0.24 -0.01 0.00 0.00 175.52 176.01 1y4m h MET 57 N 0.72 0.33 -0.38 0.00 2.07 -0.84 0.35 114.93 117.17 1y4m h MET 57 Ca 0.20 -0.05 -0.08 0.00 -2.07 0.00 0.00 59.70 57.70 1y4m h MET 57 Cb -0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 29.59 1y4m h MET 57 CO -0.04 0.34 -0.07 0.37 1.07 0.00 0.00 176.91 178.58 1y4m h GLN 58 N 0.32 0.72 -0.22 1.72 5.75 -0.32 0.51 115.11 123.59 1y4m h GLN 58 Ca 0.08 -0.27 -0.08 0.00 -0.15 0.00 0.00 58.65 58.23 1y4m h GLN 58 Cb 0.20 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 1y4m h GLN 58 CO 0.00 0.86 -0.22 0.93 -2.65 0.00 0.00 178.83 177.75 1y4m h GLU 59 N 0.53 0.41 -0.38 1.69 5.08 -0.12 -1.83 114.58 119.96 1y4m h GLU 59 Ca 0.10 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.20 1y4m h GLU 59 Cb 0.57 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1y4m h GLU 59 CO 0.03 0.61 -0.25 1.96 -1.00 0.00 0.00 179.01 180.36 1y4m h GLN 60 N 0.37 0.85 0.19 2.33 4.20 -0.00 -1.68 115.11 121.36 1y4m h GLN 60 Ca 0.06 -0.40 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 1y4m h GLN 60 Cb 0.60 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1y4m h GLN 60 CO 0.04 1.04 -0.09 0.82 -0.67 0.00 0.00 178.83 179.97 1y4m h ILE 61 N 0.65 0.83 -0.79 2.54 2.04 -0.52 0.10 117.51 122.36 1y4m h ILE 61 Ca 0.08 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1y4m h ILE 61 Cb 0.82 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1y4m h ILE 61 CO 0.07 0.02 0.39 0.44 0.00 0.00 0.00 178.15 179.07 1y4m h ASP 62 N -0.29 1.02 -0.15 1.72 3.32 -1.33 0.38 116.42 121.09 1y4m h ASP 62 Ca -0.03 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 1y4m h ASP 62 Cb 0.22 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1y4m h ASP 62 CO 0.04 0.85 0.03 0.28 -1.72 0.00 0.00 179.24 178.73 1y4m h SER 63 N 1.12 0.23 -0.54 6.45 0.02 -1.12 -1.75 113.55 117.97 1y4m h SER 63 Ca 0.27 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1y4m h SER 63 Cb 0.10 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1y4m h SER 63 CO -0.04 0.41 0.27 0.25 -1.14 0.00 0.00 176.83 176.58 1y4m h LEU 64 N 0.04 0.70 -0.97 5.07 5.85 -0.44 -2.16 115.31 123.40 1y4m h LEU 64 Ca 0.05 -0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.77 1y4m h LEU 64 Cb 0.27 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 1y4m h LEU 64 CO 0.00 0.62 0.60 0.00 -0.34 0.00 0.00 178.44 179.32 1y4m h ALA 65 N 1.11 1.46 -0.63 1.25 0.00 -0.07 0.19 119.26 122.56 1y4m h ALA 65 Ca 0.19 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1y4m h ALA 65 Cb 0.10 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1y4m h ALA 65 CO -0.03 0.19 0.32 0.00 0.00 0.00 0.00 179.25 179.74 1y4m h ALA 66 N 1.53 0.81 -0.45 0.00 0.00 -0.68 0.16 119.26 120.62 1y4m h ALA 66 Ca 0.48 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 55.22 1y4m h ALA 66 Cb 0.49 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1y4m h ALA 66 CO -0.27 0.36 0.08 0.28 0.00 0.00 0.00 179.25 179.69 1y4m h VAL 67 N 0.87 1.25 -0.29 0.00 2.07 -0.70 -1.26 116.25 118.18 1y4m h VAL 67 Ca 0.22 -0.90 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1y4m h VAL 67 Cb 0.08 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1y4m h VAL 67 CO -0.03 0.31 0.14 0.58 0.02 0.00 0.00 177.57 178.59 1y4m h VAL 68 N 0.62 1.15 -0.49 2.57 2.07 -0.23 0.23 116.25 122.16 1y4m h VAL 68 Ca 0.14 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 1y4m h VAL 68 Cb 0.38 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1y4m h VAL 68 CO 0.01 0.16 0.11 -0.07 0.02 0.00 0.00 177.57 177.79 1y4m h LEU 69 N 0.34 0.69 -0.48 2.57 3.38 -0.62 0.20 115.31 121.40 1y4m h LEU 69 Ca 0.10 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 1y4m h LEU 69 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1y4m h LEU 69 CO -0.01 0.70 -0.29 -0.61 0.09 0.00 0.00 178.44 178.31 1y4m h GLN 70 N 0.72 0.94 -0.65 1.13 4.15 -0.77 0.10 115.11 120.74 1y4m h GLN 70 Ca 0.16 -0.44 -0.04 0.00 0.77 0.00 0.00 58.65 59.10 1y4m h GLN 70 Cb 0.29 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 1y4m h GLN 70 CO -0.00 1.10 0.25 -0.91 -1.93 0.00 0.00 178.83 177.34 1y4m h ASN 71 N 0.80 0.88 -0.57 -0.69 2.35 0.20 0.12 115.58 118.65 1y4m h ASN 71 Ca 0.09 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 1y4m h ASN 71 Cb 0.87 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 1y4m h ASN 71 CO 0.08 0.79 0.14 -0.09 -1.65 0.00 0.00 177.43 176.70 1y4m h ARG 72 N 0.94 0.92 -0.33 0.81 9.65 -0.07 0.13 114.38 126.43 1y4m h ARG 72 Ca 0.22 -0.22 -0.07 0.00 -1.10 0.00 0.00 59.98 58.81 1y4m h ARG 72 Cb 0.20 -0.12 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 1y4m h ARG 72 CO -0.02 0.85 -0.10 0.00 2.80 0.00 0.00 179.97 183.51 1y4m h ARG 73 N 0.83 0.55 -0.34 0.20 3.08 -0.30 0.10 114.38 118.50 1y4m h ARG 73 Ca 0.18 -0.15 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1y4m h ARG 73 Cb 0.35 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1y4m h ARG 73 CO 0.00 0.65 0.09 0.78 -1.07 0.00 0.00 179.97 180.41 1y4m h GLY 74 N 0.93 0.58 1.41 0.04 0.00 -0.23 -0.38 103.07 105.41 1y4m h GLY 74 Ca 0.10 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 1y4m h GLY 74 CO 0.03 0.33 -0.17 1.41 0.00 0.00 0.00 176.54 178.14 1y4m h LEU 75 N 0.39 0.69 -1.04 3.11 3.38 -0.26 -0.73 115.31 120.85 1y4m h LEU 75 Ca 0.11 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1y4m h LEU 75 Cb 0.29 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1y4m h LEU 75 CO 0.00 0.87 -0.28 0.44 0.09 0.00 0.00 178.44 179.57 1y4m h ASP 76 N 0.62 0.35 -0.11 -0.43 3.32 -0.56 -1.66 116.42 117.96 1y4m h ASP 76 Ca 0.10 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 1y4m h ASP 76 Cb 0.64 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.09 1y4m h ASP 76 CO 0.05 0.63 -0.09 -0.03 -1.72 0.00 0.00 179.24 178.07 1y4m h MET 77 N 0.31 0.25 0.00 3.56 4.05 -0.62 0.37 114.93 122.85 1y4m h MET 77 Ca 0.05 -0.12 -0.00 0.00 -0.28 0.00 0.00 59.70 59.34 1y4m h MET 77 Cb 0.65 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.45 1y4m h MET 77 CO 0.05 0.64 -0.01 -0.07 0.23 0.00 0.00 176.91 177.75 1y4m h LEU 78 N -0.14 0.00 -2.94 3.39 3.38 -0.89 -2.37 115.31 115.74 1y4m h LEU 78 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1y4m h LEU 78 Cb 0.59 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1y4m h LEU 78 CO 0.02 0.01 -0.34 0.35 0.09 0.00 0.00 178.44 178.57 1y4m n THR 79 N -3.22 1.81 -0.36 0.22 -2.24 -0.65 -4.79 114.28 105.06 1y4m n THR 79 Ca -0.02 -2.53 0.07 0.00 -2.27 0.00 0.00 64.05 59.29 1y4m n THR 79 Cb 0.14 -0.11 0.23 0.00 -2.10 0.00 0.00 70.33 68.49 1y4m n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y4m h ALA 80 N 0.55 1.49 0.00 6.98 0.00 -0.36 0.16 119.26 128.08 1y4m h ALA 80 Ca -0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1y4m h ALA 80 Cb 1.08 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1y4m h ALA 80 CO 0.01 0.24 -0.09 0.00 0.00 0.00 0.00 179.25 179.40 1y4m h ALA 81 N 1.53 1.31 -0.33 0.00 0.00 -1.86 -0.97 119.26 118.93 1y4m h ALA 81 Ca 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1y4m h ALA 81 Cb 0.46 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1y4m h ALA 81 CO -0.26 0.12 0.00 1.04 0.00 0.00 0.00 179.25 180.15 1y4m n GLN 82 N -3.64 2.23 -0.42 0.00 3.00 0.37 -4.92 117.38 113.99 1y4m n GLN 82 Ca -0.02 -1.86 0.00 0.00 -0.01 0.00 0.00 57.00 55.11 1y4m n GLN 82 Cb 0.21 -1.46 0.00 0.00 0.00 0.00 0.00 30.24 28.99 1y4m n GLN 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1y4m n GLY 83 N 1.37 0.77 0.00 1.08 0.00 -0.37 -3.68 105.19 104.37 1y4m n GLY 83 Ca 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1y4m n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y4m n GLY 84 N -2.42 1.97 0.22 -0.02 0.00 -0.09 -4.32 105.19 100.54 1y4m n GLY 84 Ca 0.00 -2.00 -0.03 0.00 0.00 0.00 0.00 46.02 43.99 1y4m n GLY 84 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1y4m h ILE 85 N 0.00 1.28 -0.24 -0.61 6.09 -1.80 0.40 117.51 122.62 1y4m h ILE 85 Ca 0.00 -1.34 -0.05 0.00 -1.37 0.00 0.00 64.86 62.11 1y4m h ILE 85 Cb 0.00 1.46 -0.01 0.00 0.47 0.00 0.00 36.82 38.74 1y4m h ILE 85 CO 0.00 0.42 -0.03 0.00 -3.07 0.00 0.00 178.15 175.47 1y4m h LEU 87 N 0.20 0.71 -0.87 0.00 3.38 -1.71 0.11 115.31 117.13 1y4m h LEU 87 Ca 0.06 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.70 1y4m h LEU 87 Cb 0.47 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1y4m h LEU 87 CO 0.02 0.94 0.07 0.00 0.09 0.00 0.00 178.44 179.56 1y4m h ALA 88 N 1.11 1.07 0.00 1.53 0.00 -0.71 -1.53 119.26 120.73 1y4m h ALA 88 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1y4m h ALA 88 Cb 0.75 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1y4m h ALA 88 CO 0.06 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.19 1y4m n LEU 89 N -4.23 0.75 -3.35 0.00 4.77 0.12 -4.90 117.00 110.16 1y4m n LEU 89 Ca 0.03 0.60 -0.19 0.00 -0.03 0.00 0.00 56.01 56.42 1y4m n LEU 89 Cb 0.28 -0.39 0.08 0.00 -2.33 0.00 0.00 43.42 41.06 1y4m n LEU 89 CO 0.42 -0.27 0.17 -0.67 -1.33 0.00 0.00 177.39 175.70 1y4m n ASP 90 N -2.23 -4.19 -4.30 -1.43 2.03 0.27 -5.00 116.55 101.71 1y4m n ASP 90 Ca 0.05 -0.54 -0.16 0.00 0.52 0.00 0.00 54.79 54.66 1y4m n ASP 90 Cb 0.37 -4.80 -0.10 0.00 -0.72 0.00 0.00 41.12 35.87 1y4m n ASP 90 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1y4m s GLU 91 N -5.78 1.25 0.22 -0.67 2.02 -0.59 -5.04 118.70 110.11 1y4m s GLU 91 Ca 0.29 -1.62 -0.30 0.00 0.02 0.00 0.00 54.97 53.36 1y4m s GLU 91 Cb -0.13 -0.50 -0.09 0.00 0.10 0.00 0.00 34.13 33.50 1y4m s GLU 91 CO 0.69 -0.10 1.40 0.21 0.02 0.00 0.00 175.26 177.47 1y4m s LYS 92 N -3.87 4.31 0.46 1.61 2.20 -1.26 -4.57 119.74 118.61 1y4m s LYS 92 Ca 0.27 2.20 -0.21 0.00 -0.36 0.00 0.00 55.97 57.87 1y4m s LYS 92 Cb 0.06 -3.15 -0.09 0.00 -1.51 0.00 0.00 37.83 33.13 1y4m s LYS 92 CO 0.07 -0.37 1.01 0.00 -0.36 0.00 0.00 175.35 175.70 1y4m s PHE 95 N 0.11 2.30 -0.36 0.00 0.08 -1.26 -5.11 117.98 113.75 1y4m s PHE 95 Ca -0.00 -0.34 -0.00 0.00 0.12 0.00 0.00 56.93 56.70 1y4m s PHE 95 Cb -0.13 -1.05 0.12 0.00 -0.57 0.00 0.00 43.02 41.39 1y4m s PHE 95 CO 0.03 0.64 0.18 -0.46 -0.10 0.00 0.00 175.22 175.50 1y4m s TRP 96 N -2.20 1.22 -0.11 0.36 -0.00 -1.26 -5.10 118.94 111.84 1y4m s TRP 96 Ca 0.27 -1.74 0.03 0.00 -0.00 0.00 0.00 56.10 54.65 1y4m s TRP 96 Cb -0.06 -1.36 -0.00 0.00 -0.00 0.00 0.00 33.47 32.05 1y4m s TRP 96 CO 0.13 -0.83 -0.22 0.08 -0.00 0.00 0.00 176.95 176.12 1y4m s VAL 97 N 1.17 2.24 0.00 5.86 1.01 -1.26 -5.08 120.40 124.34 1y4m s VAL 97 Ca 0.14 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1y4m s VAL 97 Cb -0.21 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.29 1y4m s VAL 97 CO -0.11 0.55 0.00 0.59 0.00 0.00 0.00 175.10 176.13