#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4m s ILE 47 N 0.00 2.01 -0.17 2.41 -4.36 -1.26 -4.88 121.20 114.95 1y4m s ILE 47 Ca 0.00 -1.53 -0.03 0.00 -0.26 0.00 0.00 60.65 58.83 1y4m s ILE 47 Cb 0.00 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.18 1y4m s ILE 47 CO 0.00 0.00 0.15 -0.90 0.24 0.00 0.00 174.94 174.43 1y4m n ASP 48 N -1.58 -1.18 -0.03 4.36 5.75 -1.26 -4.84 116.55 117.77 1y4m n ASP 48 Ca -0.01 -0.17 -0.10 0.00 -0.01 0.00 0.00 54.79 54.50 1y4m n ASP 48 Cb 0.64 -0.38 -0.14 0.00 -1.03 0.00 0.00 41.12 40.21 1y4m n ASP 48 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1y4m n THR 49 N -0.70 1.60 0.07 2.12 -2.24 -1.26 -4.09 114.28 109.77 1y4m n THR 49 Ca -0.06 -0.79 -0.09 0.00 -2.27 0.00 0.00 64.05 60.84 1y4m n THR 49 Cb 0.16 -1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 67.30 1y4m n THR 49 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1y4m h MET 50 N 0.01 -0.41 -0.96 -0.78 2.86 -1.98 0.80 114.93 114.47 1y4m h MET 50 Ca -0.33 0.03 0.19 0.00 -2.06 0.00 0.00 59.70 57.53 1y4m h MET 50 Cb 2.04 0.09 -0.11 0.00 0.06 0.00 0.00 31.60 33.69 1y4m h MET 50 CO 0.07 -0.27 0.55 0.00 1.06 0.00 0.00 176.91 178.32 1y4m h ALA 51 N -1.02 1.57 -0.33 6.32 0.00 -1.98 0.13 119.26 123.94 1y4m h ALA 51 Ca -0.01 0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1y4m h ALA 51 Cb 0.42 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1y4m h ALA 51 CO -0.15 -0.10 -0.48 -0.22 0.00 0.00 0.00 179.25 178.30 1y4m h LYS 52 N 0.69 0.91 -0.75 0.00 3.64 -1.59 -3.04 116.57 116.44 1y4m h LYS 52 Ca 0.56 -0.54 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1y4m h LYS 52 Cb 0.88 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 1y4m h LYS 52 CO -0.40 1.18 0.49 0.00 -2.27 0.00 0.00 179.45 178.46 1y4m h ALA 53 N 0.72 1.57 -0.43 5.00 0.00 0.25 -0.90 119.26 125.47 1y4m h ALA 53 Ca 0.03 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1y4m h ALA 53 Cb 1.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1y4m h ALA 53 CO 0.11 0.35 0.27 -0.07 0.00 0.00 0.00 179.25 179.91 1y4m h LEU 54 N 0.90 0.51 -0.40 0.00 3.38 -1.13 0.18 115.31 118.75 1y4m h LEU 54 Ca 0.30 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.17 1y4m h LEU 54 Cb 0.07 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1y4m h LEU 54 CO -0.09 0.40 0.04 0.74 0.09 0.00 0.00 178.44 179.63 1y4m h THR 55 N 0.57 1.25 -0.40 0.22 2.02 -1.29 0.02 112.91 115.30 1y4m h THR 55 Ca 0.16 -0.91 0.02 0.00 0.77 0.00 0.00 66.41 66.44 1y4m h THR 55 Cb -0.02 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 1y4m h THR 55 CO -0.03 0.31 0.22 0.74 0.37 0.00 0.00 175.52 177.13 1y4m h THR 56 N 0.52 1.02 -0.64 3.16 2.02 -0.88 -1.09 112.91 117.02 1y4m h THR 56 Ca 0.12 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1y4m h THR 56 Cb 0.40 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 1y4m h THR 56 CO 0.01 0.08 0.30 -0.03 0.37 0.00 0.00 175.52 176.26 1y4m h MET 57 N 0.45 0.93 -0.82 6.66 -1.53 -0.44 -0.37 114.93 119.81 1y4m h MET 57 Ca 0.16 -0.14 0.01 0.00 -3.44 0.00 0.00 59.70 56.29 1y4m h MET 57 Cb 0.03 -0.17 -0.04 0.00 -0.55 0.00 0.00 31.60 30.88 1y4m h MET 57 CO -0.09 0.75 0.54 0.37 0.14 0.00 0.00 176.91 178.62 1y4m h GLN 58 N 0.89 1.07 -0.07 0.39 5.75 -0.47 0.18 115.11 122.85 1y4m h GLN 58 Ca 0.22 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.53 1y4m h GLN 58 Cb 0.13 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.43 1y4m h GLN 58 CO -0.03 0.71 -0.52 0.93 -2.65 0.00 0.00 178.83 177.27 1y4m h GLU 59 N 1.10 0.21 -0.39 1.69 5.08 -0.82 -0.17 114.58 121.28 1y4m h GLU 59 Ca 0.31 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1y4m h GLU 59 Cb -0.11 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1y4m h GLU 59 CO -0.07 0.68 0.11 1.96 -1.00 0.00 0.00 179.01 180.69 1y4m h GLN 60 N 0.16 0.61 -0.54 2.33 4.20 -0.02 0.23 115.11 122.08 1y4m h GLN 60 Ca 0.00 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1y4m h GLN 60 Cb 0.98 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 1y4m h GLN 60 CO 0.08 0.63 0.22 0.82 -0.67 0.00 0.00 178.83 179.91 1y4m h ILE 61 N 0.49 1.22 -0.49 2.54 2.04 -0.42 0.64 117.51 123.52 1y4m h ILE 61 Ca 0.13 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.30 1y4m h ILE 61 Cb 0.27 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1y4m h ILE 61 CO -0.00 0.26 0.26 0.44 0.00 0.00 0.00 178.15 179.11 1y4m h ASP 62 N 0.74 0.62 -0.29 1.72 3.32 -0.65 0.42 116.42 122.31 1y4m h ASP 62 Ca 0.18 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1y4m h ASP 62 Cb 0.19 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1y4m h ASP 62 CO -0.02 0.55 0.18 -1.28 -1.72 0.00 0.00 179.24 176.95 1y4m h SER 63 N 0.65 0.34 -0.28 6.45 0.87 -0.28 -1.54 113.55 119.76 1y4m h SER 63 Ca 0.17 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 1y4m h SER 63 Cb 0.07 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 1y4m h SER 63 CO -0.03 0.27 0.07 0.25 -0.53 0.00 0.00 176.83 176.87 1y4m h LEU 64 N 0.38 0.43 -1.26 2.23 5.85 -0.52 -2.40 115.31 120.02 1y4m h LEU 64 Ca 0.10 -0.22 0.13 0.00 0.84 0.00 0.00 57.88 58.73 1y4m h LEU 64 Cb -0.01 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 40.83 1y4m h LEU 64 CO -0.02 0.54 0.57 0.00 -0.34 0.00 0.00 178.44 179.19 1y4m h ALA 65 N 0.90 1.76 -0.48 1.25 0.00 0.07 0.25 119.26 123.00 1y4m h ALA 65 Ca 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1y4m h ALA 65 Cb 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1y4m h ALA 65 CO 0.00 0.02 0.30 0.00 0.00 0.00 0.00 179.25 179.57 1y4m h ALA 66 N 1.59 0.62 -0.29 0.00 0.00 -0.79 0.32 119.26 120.71 1y4m h ALA 66 Ca 0.44 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.24 1y4m h ALA 66 Cb 0.61 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1y4m h ALA 66 CO -0.20 0.09 0.00 0.28 0.00 0.00 0.00 179.25 179.43 1y4m h VAL 67 N 0.65 1.26 -0.38 0.00 2.07 -0.78 -1.12 116.25 117.95 1y4m h VAL 67 Ca 0.17 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1y4m h VAL 67 Cb -0.03 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1y4m h VAL 67 CO -0.03 0.30 0.23 0.58 0.02 0.00 0.00 177.57 178.67 1y4m h VAL 68 N 0.30 1.06 -0.67 2.57 2.07 -0.19 0.26 116.25 121.65 1y4m h VAL 68 Ca 0.08 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1y4m h VAL 68 Cb 0.43 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1y4m h VAL 68 CO 0.01 0.09 0.15 -0.07 0.02 0.00 0.00 177.57 177.77 1y4m h LEU 69 N 0.48 1.01 -0.86 2.57 3.38 -0.31 0.14 115.31 121.72 1y4m h LEU 69 Ca 0.15 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 1y4m h LEU 69 Cb -0.02 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1y4m h LEU 69 CO -0.06 0.98 -0.19 -0.61 0.09 0.00 0.00 178.44 178.65 1y4m h GLN 70 N 1.01 0.63 -0.47 1.13 4.15 -0.71 0.14 115.11 120.99 1y4m h GLN 70 Ca 0.21 -0.23 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 1y4m h GLN 70 Cb 0.37 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 1y4m h GLN 70 CO 0.00 0.79 -0.10 -0.91 -1.93 0.00 0.00 178.83 176.68 1y4m h ASN 71 N 0.56 0.84 -0.55 -0.69 2.35 0.16 0.19 115.58 118.44 1y4m h ASN 71 Ca 0.09 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.51 1y4m h ASN 71 Cb 0.64 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.77 1y4m h ASN 71 CO 0.05 0.97 0.08 -0.09 -1.65 0.00 0.00 177.43 176.78 1y4m h ARG 72 N 0.77 0.92 -0.83 0.81 9.65 -0.06 0.82 114.38 126.46 1y4m h ARG 72 Ca 0.13 -0.25 -0.03 0.00 -1.10 0.00 0.00 59.98 58.73 1y4m h ARG 72 Cb 0.60 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 29.04 1y4m h ARG 72 CO 0.04 0.89 0.41 0.00 2.80 0.00 0.00 179.97 184.11 1y4m h ARG 73 N 0.81 1.18 -0.44 0.20 3.08 -0.59 0.17 114.38 118.79 1y4m h ARG 73 Ca 0.17 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 1y4m h ARG 73 Cb 0.42 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1y4m h ARG 73 CO 0.01 0.90 0.27 0.78 -1.07 0.00 0.00 179.97 180.86 1y4m h GLY 74 N 1.19 0.63 1.29 0.04 0.00 -0.25 0.70 103.07 106.68 1y4m h GLY 74 Ca 0.29 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 1y4m h GLY 74 CO -0.04 0.25 -0.11 1.41 0.00 0.00 0.00 176.54 178.05 1y4m h LEU 75 N 0.58 0.84 -0.88 3.11 3.38 -0.21 -1.00 115.31 121.13 1y4m h LEU 75 Ca 0.16 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1y4m h LEU 75 Cb -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1y4m h LEU 75 CO -0.03 0.97 -0.10 0.44 0.09 0.00 0.00 178.44 179.80 1y4m h ASP 76 N 0.76 0.70 -0.41 -0.43 3.32 -0.31 -1.67 116.42 118.39 1y4m h ASP 76 Ca 0.12 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.91 1y4m h ASP 76 Cb 0.62 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1y4m h ASP 76 CO 0.04 0.84 -0.01 -0.03 -1.72 0.00 0.00 179.24 178.36 1y4m h MET 77 N 0.66 0.72 0.00 3.56 4.05 -0.50 0.86 114.93 124.28 1y4m h MET 77 Ca 0.11 -0.24 -0.02 0.00 -0.28 0.00 0.00 59.70 59.28 1y4m h MET 77 Cb 0.56 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.29 1y4m h MET 77 CO 0.03 0.81 -0.09 -0.07 0.23 0.00 0.00 176.91 177.82 1y4m h LEU 78 N 0.55 0.00 -3.06 3.39 3.38 -0.89 -2.70 115.31 115.99 1y4m h LEU 78 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1y4m h LEU 78 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1y4m h LEU 78 CO 0.02 0.09 -0.22 0.35 0.09 0.00 0.00 178.44 178.77 1y4m n THR 79 N -3.36 2.14 -0.33 0.22 -2.24 -0.66 -4.77 114.28 105.29 1y4m n THR 79 Ca -0.01 -2.71 0.09 0.00 -2.27 0.00 0.00 64.05 59.15 1y4m n THR 79 Cb 0.27 -0.25 0.26 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.69 1.46 0.00 6.98 0.00 -0.48 0.15 119.26 128.06 1y4m h ALA 80 Ca 0.03 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1y4m h ALA 80 Cb 1.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1y4m h ALA 80 CO 0.07 -0.01 -0.12 0.00 0.00 0.00 0.00 179.25 179.19 1y4m h ALA 81 N 1.58 1.62 -0.21 0.00 0.00 -1.86 -0.95 119.26 119.45 1y4m h ALA 81 Ca 0.51 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1y4m h ALA 81 Cb 0.70 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1y4m h ALA 81 CO -0.35 0.15 0.00 1.04 0.00 0.00 0.00 179.25 180.09 1y4m n GLN 82 N -4.12 2.00 -0.98 0.00 6.02 0.38 -4.92 117.38 115.76 1y4m n GLN 82 Ca -0.02 -1.50 0.00 0.00 -0.01 0.00 0.00 57.00 55.46 1y4m n GLN 82 Cb 0.20 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.02 1y4m n GLN 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y4m n GLY 83 N 1.26 0.70 0.00 1.08 0.00 -0.36 -3.99 105.19 103.89 1y4m n GLY 83 Ca 0.17 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.98 2.10 0.30 -0.02 0.00 -0.28 -4.36 105.19 100.95 1y4m n GLY 84 Ca 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 46.02 44.05 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 1.23 0.03 -0.61 6.09 -1.81 0.13 117.51 122.56 1y4m h ILE 85 Ca 0.00 -0.83 -0.00 0.00 -1.37 0.00 0.00 64.86 62.66 1y4m h ILE 85 Cb 0.00 0.70 0.00 0.00 0.47 0.00 0.00 36.82 37.99 1y4m h ILE 85 CO 0.00 0.31 -0.01 0.00 -3.07 0.00 0.00 178.15 175.37 1y4m h LEU 87 N -0.17 0.35 -1.25 0.00 3.38 -1.72 -0.23 115.31 115.68 1y4m h LEU 87 Ca -0.00 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 1y4m h LEU 87 Cb 0.15 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1y4m h LEU 87 CO 0.01 0.70 -0.19 0.00 0.09 0.00 0.00 178.44 179.05 1y4m h ALA 88 N 1.32 1.38 -0.01 1.53 0.00 -0.34 -1.44 119.26 121.69 1y4m h ALA 88 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1y4m h ALA 88 Cb 0.79 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1y4m h ALA 88 CO 0.06 0.43 -0.07 1.28 0.00 0.00 0.00 179.25 180.95 1y4m n LEU 89 N -4.21 1.27 -3.83 0.00 4.77 0.11 -4.93 117.00 110.18 1y4m n LEU 89 Ca -0.01 -0.40 -0.26 0.00 -0.03 0.00 0.00 56.01 55.32 1y4m n LEU 89 Cb 0.32 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1y4m n LEU 89 CO 0.39 0.22 -0.00 -0.90 -1.33 0.00 0.00 177.39 175.76 1y4m n ASP 90 N -0.13 -2.75 -4.33 -1.43 5.68 -0.30 -4.98 116.55 108.32 1y4m n ASP 90 Ca 0.17 -0.82 -0.18 0.00 -0.50 0.00 0.00 54.79 53.46 1y4m n ASP 90 Cb 0.34 -3.86 -0.10 0.00 -1.14 0.00 0.00 41.12 36.36 1y4m n ASP 90 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1y4m s GLU 91 N -6.34 1.30 0.19 0.11 2.02 -0.25 -5.03 118.70 110.71 1y4m s GLU 91 Ca 0.31 -1.61 -0.30 0.00 0.02 0.00 0.00 54.97 53.39 1y4m s GLU 91 Cb -0.16 -0.88 -0.08 0.00 0.10 0.00 0.00 34.13 33.11 1y4m s GLU 91 CO 0.83 0.06 1.20 0.21 0.02 0.00 0.00 175.26 177.58 1y4m s LYS 92 N -3.74 4.49 0.15 1.61 2.20 -1.26 -4.42 119.74 118.77 1y4m s LYS 92 Ca 0.24 1.89 -0.30 0.00 -0.36 0.00 0.00 55.97 57.43 1y4m s LYS 92 Cb 0.02 -3.23 -0.08 0.00 -1.51 0.00 0.00 37.83 33.03 1y4m s LYS 92 CO 0.07 -0.08 1.28 0.00 -0.36 0.00 0.00 175.35 176.25 1y4m s PHE 95 N -0.54 1.98 0.59 0.00 0.08 -1.26 -5.14 117.98 113.69 1y4m s PHE 95 Ca 0.18 -0.78 -0.08 0.00 0.12 0.00 0.00 56.93 56.37 1y4m s PHE 95 Cb -0.14 -1.20 -0.02 0.00 -0.57 0.00 0.00 43.02 41.10 1y4m s PHE 95 CO 0.07 0.20 0.95 -0.46 -0.10 0.00 0.00 175.22 175.88 1y4m s TRP 96 N -3.08 3.46 1.19 0.36 -0.00 -1.26 -5.08 118.94 114.53 1y4m s TRP 96 Ca 0.32 0.95 -0.19 0.00 -0.00 0.00 0.00 56.10 57.18 1y4m s TRP 96 Cb 0.06 -2.68 0.28 0.00 -0.00 0.00 0.00 33.47 31.12 1y4m s TRP 96 CO 0.13 -0.71 1.10 0.14 -0.00 0.00 0.00 176.95 177.61 1y4m s VAL 97 N -3.05 1.62 -1.48 5.86 -7.23 -1.26 -5.26 120.40 109.60 1y4m s VAL 97 Ca 0.53 0.00 0.12 0.00 -1.81 0.00 0.00 61.98 60.82 1y4m s VAL 97 Cb -0.11 -2.47 0.09 0.00 0.56 0.00 0.00 36.38 34.45 1y4m s VAL 97 CO 0.49 0.00 0.87 -0.46 -0.31 0.00 0.00 175.10 175.69