#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4m n ILE 47 N 0.00 0.00 -3.01 -1.44 -0.00 -1.26 -5.07 119.36 108.58 1y4m n ILE 47 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 62.75 62.60 1y4m n ILE 47 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 39.64 39.66 1y4m n ILE 47 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 1y4m n ASP 48 N 0.00 -7.35 -0.10 4.38 8.00 -1.26 -4.98 116.55 115.24 1y4m n ASP 48 Ca 0.00 0.41 -0.20 0.00 0.71 0.00 0.00 54.79 55.72 1y4m n ASP 48 Cb 0.00 -4.42 -0.09 0.00 -0.02 0.00 0.00 41.12 36.59 1y4m n ASP 48 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1y4m n THR 49 N -0.19 1.51 -0.01 -3.53 5.66 -1.26 -4.56 114.28 111.91 1y4m n THR 49 Ca 0.06 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 1y4m n THR 49 Cb 0.49 -2.09 0.00 0.00 -1.55 0.00 0.00 70.33 67.19 1y4m n THR 49 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1y4m n MET 50 N -4.44 5.52 0.00 1.09 2.81 -1.26 -4.59 117.12 116.25 1y4m n MET 50 Ca -0.31 -0.04 0.11 0.00 -1.81 0.00 0.00 57.70 55.65 1y4m n MET 50 Cb 0.64 -0.48 0.60 0.00 -0.71 0.00 0.00 33.22 33.27 1y4m n MET 50 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1y4m n ALA 51 N -0.80 2.21 0.09 3.04 0.00 -1.26 -2.24 120.51 121.55 1y4m n ALA 51 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.25 1y4m n ALA 51 Cb 0.00 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.08 1y4m n ALA 51 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1y4m h LYS 52 N 0.00 0.11 0.00 0.00 5.09 -1.81 -0.75 116.57 119.21 1y4m h LYS 52 Ca 0.00 -0.13 -0.17 0.00 0.09 0.00 0.00 60.65 60.44 1y4m h LYS 52 Cb 0.14 0.04 -0.02 0.00 0.10 0.00 0.00 32.23 32.48 1y4m h LYS 52 CO 0.00 0.91 -0.83 0.00 -2.09 0.00 0.00 179.45 177.44 1y4m h ALA 53 N 1.05 0.51 -0.27 0.07 0.00 -1.79 -2.60 119.26 116.22 1y4m h ALA 53 Ca -0.03 -0.75 -0.18 0.00 0.00 0.00 0.00 54.91 53.94 1y4m h ALA 53 Cb 1.51 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1y4m h ALA 53 CO 0.12 1.03 -0.54 1.25 0.00 0.00 0.00 179.25 181.12 1y4m h LEU 54 N 0.00 0.91 -0.28 0.00 7.12 -1.47 -1.80 115.31 119.80 1y4m h LEU 54 Ca -0.01 -0.49 -0.08 0.00 0.13 0.00 0.00 57.88 57.44 1y4m h LEU 54 Cb 1.58 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 41.44 1y4m h LEU 54 CO 0.11 1.27 -0.13 0.71 -0.13 0.00 0.00 178.44 180.27 1y4m h THR 55 N 0.63 1.30 -0.56 1.05 1.35 -1.12 -0.84 112.91 114.72 1y4m h THR 55 Ca 0.01 -1.22 -0.05 0.00 -0.55 0.00 0.00 66.41 64.61 1y4m h THR 55 Cb 1.14 1.50 -0.03 0.00 -1.73 0.00 0.00 68.15 69.04 1y4m h THR 55 CO 0.12 0.39 0.17 0.00 -0.25 0.00 0.00 175.52 175.94 1y4m h THR 56 N 0.32 1.22 -0.34 6.82 1.03 -1.46 -1.63 112.91 118.87 1y4m h THR 56 Ca 0.06 -0.77 -0.14 0.00 -0.01 0.00 0.00 66.41 65.55 1y4m h THR 56 Cb 0.64 0.61 -0.01 0.00 -1.07 0.00 0.00 68.15 68.33 1y4m h THR 56 CO 0.04 0.29 -0.37 0.24 -0.01 0.00 0.00 175.52 175.72 1y4m h MET 57 N 0.82 0.79 -0.76 0.00 2.07 -1.18 -1.44 114.93 115.23 1y4m h MET 57 Ca 0.19 -0.39 -0.06 0.00 -2.07 0.00 0.00 59.70 57.37 1y4m h MET 57 Cb 0.26 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.96 1y4m h MET 57 CO -0.01 1.02 0.25 0.37 1.07 0.00 0.00 176.91 179.62 1y4m h GLN 58 N 0.65 1.16 -0.44 1.72 5.75 -0.72 0.31 115.11 123.54 1y4m h GLN 58 Ca 0.06 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.31 1y4m h GLN 58 Cb 0.92 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 1y4m h GLN 58 CO 0.08 0.97 0.21 0.93 -2.65 0.00 0.00 178.83 178.38 1y4m h GLU 59 N 1.12 0.63 -0.55 1.69 5.08 -1.08 0.11 114.58 121.59 1y4m h GLU 59 Ca 0.25 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1y4m h GLU 59 Cb 0.28 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1y4m h GLU 59 CO -0.01 0.54 0.23 1.96 -1.00 0.00 0.00 179.01 180.73 1y4m h GLN 60 N 0.57 0.82 0.05 2.33 4.20 -0.64 -1.26 115.11 121.18 1y4m h GLN 60 Ca 0.15 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1y4m h GLN 60 Cb 0.12 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.77 1y4m h GLN 60 CO -0.02 0.71 -0.03 0.82 -0.67 0.00 0.00 178.83 179.65 1y4m h ILE 61 N 0.75 1.09 -0.95 2.54 1.08 -0.02 0.18 117.51 122.19 1y4m h ILE 61 Ca 0.18 -0.48 0.05 0.00 -0.39 0.00 0.00 64.86 64.23 1y4m h ILE 61 Cb 0.19 1.40 -0.06 0.00 -3.07 0.00 0.00 36.82 35.28 1y4m h ILE 61 CO -0.02 0.12 0.61 0.44 -0.69 0.00 0.00 178.15 178.61 1y4m h ASP 62 N -0.28 0.99 -0.26 1.72 3.32 -0.71 0.29 116.42 121.49 1y4m h ASP 62 Ca -0.01 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 1y4m h ASP 62 Cb 0.25 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1y4m h ASP 62 CO 0.01 0.65 -0.25 -1.28 -1.72 0.00 0.00 179.24 176.65 1y4m h SER 63 N 1.14 0.66 -0.49 6.45 0.87 -1.10 -2.28 113.55 118.80 1y4m h SER 63 Ca 0.40 -0.47 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 1y4m h SER 63 Cb 0.11 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1y4m h SER 63 CO -0.15 1.00 0.25 0.25 -0.53 0.00 0.00 176.83 177.64 1y4m h LEU 64 N 0.34 0.63 -0.94 2.23 5.85 -0.06 -1.79 115.31 121.56 1y4m h LEU 64 Ca 0.04 -0.12 0.10 0.00 0.84 0.00 0.00 57.88 58.75 1y4m h LEU 64 Cb 0.81 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.60 1y4m h LEU 64 CO 0.06 0.56 0.58 0.00 -0.34 0.00 0.00 178.44 179.31 1y4m h ALA 65 N 1.09 1.38 -0.69 1.25 0.00 -0.36 0.33 119.26 122.25 1y4m h ALA 65 Ca 0.17 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1y4m h ALA 65 Cb 0.09 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1y4m h ALA 65 CO -0.02 0.23 0.44 0.00 0.00 0.00 0.00 179.25 179.89 1y4m h ALA 66 N 1.49 0.90 -0.31 0.00 0.00 -0.75 0.30 119.26 120.90 1y4m h ALA 66 Ca 0.45 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 1y4m h ALA 66 Cb 0.38 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1y4m h ALA 66 CO -0.24 0.22 -0.15 0.28 0.00 0.00 0.00 179.25 179.36 1y4m h VAL 67 N 0.86 1.29 -0.62 0.00 2.07 -0.41 -1.80 116.25 117.63 1y4m h VAL 67 Ca 0.28 -1.25 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 1y4m h VAL 67 Cb 0.00 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1y4m h VAL 67 CO -0.10 0.40 0.33 0.58 0.02 0.00 0.00 177.57 178.80 1y4m h VAL 68 N 0.40 1.20 -0.41 2.57 2.07 0.17 0.33 116.25 122.59 1y4m h VAL 68 Ca 0.07 -0.53 -0.11 0.00 0.82 0.00 0.00 66.70 66.94 1y4m h VAL 68 Cb 0.68 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1y4m h VAL 68 CO 0.05 0.23 -0.20 -0.07 0.02 0.00 0.00 177.57 177.59 1y4m h LEU 69 N 0.85 0.80 -0.73 2.57 3.38 -0.39 0.20 115.31 122.00 1y4m h LEU 69 Ca 0.22 -0.28 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1y4m h LEU 69 Cb 0.06 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1y4m h LEU 69 CO -0.03 0.99 -0.32 -0.61 0.09 0.00 0.00 178.44 178.55 1y4m h GLN 70 N 0.70 0.61 -0.40 1.13 4.15 -0.91 0.21 115.11 120.61 1y4m h GLN 70 Ca 0.10 -0.28 -0.08 0.00 0.77 0.00 0.00 58.65 59.17 1y4m h GLN 70 Cb 0.71 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 1y4m h GLN 70 CO 0.05 0.86 -0.08 -0.91 -1.93 0.00 0.00 178.83 176.82 1y4m h ASN 71 N 0.52 0.67 -0.39 -0.69 2.35 0.31 0.20 115.58 118.55 1y4m h ASN 71 Ca 0.06 -0.18 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 1y4m h ASN 71 Cb 0.81 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1y4m h ASN 71 CO 0.07 0.79 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.53 1y4m h ARG 72 N 0.63 0.69 -0.54 0.81 9.65 0.20 0.13 114.38 125.95 1y4m h ARG 72 Ca 0.12 -0.23 -0.03 0.00 -1.10 0.00 0.00 59.98 58.74 1y4m h ARG 72 Cb 0.52 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.01 1y4m h ARG 72 CO 0.03 0.79 0.20 0.00 2.80 0.00 0.00 179.97 183.80 1y4m h ARG 73 N 0.51 0.79 -0.46 0.20 3.08 -0.14 0.20 114.38 118.56 1y4m h ARG 73 Ca 0.11 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1y4m h ARG 73 Cb 0.49 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1y4m h ARG 73 CO 0.02 0.66 0.20 0.78 -1.07 0.00 0.00 179.97 180.57 1y4m h GLY 74 N 0.92 0.72 1.14 0.04 0.00 0.03 0.53 103.07 106.45 1y4m h GLY 74 Ca 0.18 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 47.02 1y4m h GLY 74 CO -0.01 0.36 -0.13 1.41 0.00 0.00 0.00 176.54 178.16 1y4m h LEU 75 N 0.60 1.01 -1.06 3.11 3.38 0.02 -0.16 115.31 122.21 1y4m h LEU 75 Ca 0.16 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 1y4m h LEU 75 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1y4m h LEU 75 CO -0.02 1.13 -0.30 0.44 0.09 0.00 0.00 178.44 179.78 1y4m h ASP 76 N 0.89 0.29 0.00 -0.43 3.32 -0.40 0.80 116.42 120.89 1y4m h ASP 76 Ca 0.13 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.08 1y4m h ASP 76 Cb 0.70 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1y4m h ASP 76 CO 0.05 0.59 -0.00 -0.03 -1.72 0.00 0.00 179.24 178.13 1y4m h MET 77 N 0.26 -0.00 -0.66 3.56 1.85 -0.49 -1.65 114.93 117.80 1y4m h MET 77 Ca 0.04 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.12 1y4m h MET 77 Cb 0.67 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.67 1y4m h MET 77 CO 0.05 0.30 0.38 -0.07 -0.40 0.00 0.00 176.91 177.18 1y4m h LEU 78 N -0.31 0.79 -3.67 3.39 3.38 -0.67 -2.99 115.31 115.23 1y4m h LEU 78 Ca -0.00 -0.05 -0.31 0.00 0.09 0.00 0.00 57.88 57.61 1y4m h LEU 78 Cb 0.31 -0.20 -0.19 0.00 0.09 0.00 0.00 40.66 40.67 1y4m h LEU 78 CO 0.00 0.62 0.28 0.35 0.09 0.00 0.00 178.44 179.78 1y4m n THR 79 N -4.39 2.87 -0.27 0.22 -2.24 0.24 -4.60 114.28 106.10 1y4m n THR 79 Ca 0.07 -2.17 0.08 0.00 -2.27 0.00 0.00 64.05 59.76 1y4m n THR 79 Cb 0.08 -0.38 0.32 0.00 -2.10 0.00 0.00 70.33 68.25 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 1.34 1.69 0.00 6.98 0.00 -1.14 0.14 119.26 128.27 1y4m h ALA 80 Ca 0.38 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 1y4m h ALA 80 Cb 2.25 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.86 1y4m h ALA 80 CO 0.73 0.12 -0.00 0.00 0.00 0.00 0.00 179.25 180.09 1y4m h ALA 81 N 1.57 1.09 -0.51 0.00 0.00 -1.86 0.21 119.26 119.77 1y4m h ALA 81 Ca 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1y4m h ALA 81 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1y4m h ALA 81 CO -0.18 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.12 1y4m n GLN 82 N -3.22 3.08 -0.96 0.00 6.02 0.30 -4.93 117.38 117.68 1y4m n GLN 82 Ca -0.03 -2.52 0.00 0.00 -0.01 0.00 0.00 57.00 54.45 1y4m n GLN 82 Cb 0.09 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 29.78 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 0.81 0.41 0.00 1.08 0.00 0.74 -3.17 105.19 105.06 1y4m n GLY 83 Ca 0.20 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.96 1.76 0.23 -0.02 0.00 -0.11 -4.36 105.19 99.74 1y4m n GLY 84 Ca 0.00 -2.01 -0.04 0.00 0.00 0.00 0.00 46.02 43.97 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 1.27 0.06 -0.61 6.09 -1.79 0.13 117.51 122.67 1y4m h ILE 85 Ca 0.00 -1.33 -0.00 0.00 -1.37 0.00 0.00 64.86 62.15 1y4m h ILE 85 Cb 0.00 1.40 0.00 0.00 0.47 0.00 0.00 36.82 38.69 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 -0.32 0.92 -1.57 0.00 3.38 -1.74 -0.96 115.31 115.03 1y4m h LEU 87 Ca -0.01 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.76 1y4m h LEU 87 Cb 0.28 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1y4m h LEU 87 CO 0.01 0.93 0.30 0.00 0.09 0.00 0.00 178.44 179.78 1y4m h ALA 88 N 1.18 1.70 -0.01 1.53 0.00 -0.54 -0.30 119.26 122.82 1y4m h ALA 88 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1y4m h ALA 88 Cb 0.41 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1y4m h ALA 88 CO 0.01 0.27 -0.10 1.28 0.00 0.00 0.00 179.25 180.71 1y4m n LEU 89 N -4.47 1.32 -2.89 0.00 4.77 -0.30 -4.94 117.00 110.49 1y4m n LEU 89 Ca 0.04 -0.41 -0.22 0.00 -0.03 0.00 0.00 56.01 55.39 1y4m n LEU 89 Cb 0.08 -0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1y4m n LEU 89 CO 0.35 0.23 -0.06 -0.67 -1.33 0.00 0.00 177.39 175.91 1y4m n ASP 90 N -0.14 -6.08 -4.35 -1.43 -0.08 -0.12 -4.98 116.55 99.37 1y4m n ASP 90 Ca 0.16 -0.23 -0.18 0.00 -1.51 0.00 0.00 54.79 53.03 1y4m n ASP 90 Cb 0.35 -4.94 -0.10 0.00 2.34 0.00 0.00 41.12 38.77 1y4m n ASP 90 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1y4m s GLU 91 N -5.57 1.33 0.53 -0.67 2.02 -0.66 -5.02 118.70 110.67 1y4m s GLU 91 Ca 0.24 -1.62 -0.22 0.00 0.02 0.00 0.00 54.97 53.39 1y4m s GLU 91 Cb -0.11 -0.98 -0.05 0.00 0.10 0.00 0.00 34.13 33.09 1y4m s GLU 91 CO 0.30 0.10 1.37 0.21 0.02 0.00 0.00 175.26 177.26 1y4m s LYS 92 N -3.71 3.22 -0.01 1.61 2.20 -1.26 -4.43 119.74 117.36 1y4m s LYS 92 Ca 0.24 2.27 -0.27 0.00 -0.36 0.00 0.00 55.97 57.85 1y4m s LYS 92 Cb 0.02 -2.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.98 1y4m s LYS 92 CO 0.07 -1.14 0.86 0.00 -0.36 0.00 0.00 175.35 174.79 1y4m s PHE 95 N 0.79 2.46 0.47 0.00 0.40 -1.26 -5.13 117.98 115.71 1y4m s PHE 95 Ca 0.20 -0.42 -0.14 0.00 -0.60 0.00 0.00 56.93 55.97 1y4m s PHE 95 Cb -0.14 -1.32 -0.07 0.00 0.51 0.00 0.00 43.02 42.00 1y4m s PHE 95 CO 0.07 0.58 0.90 -0.46 0.70 0.00 0.00 175.22 177.01 1y4m s TRP 96 N -2.53 3.47 0.00 0.36 -0.00 -1.26 -4.96 118.94 114.01 1y4m s TRP 96 Ca 0.33 1.29 0.00 0.00 -0.00 0.00 0.00 56.10 57.72 1y4m s TRP 96 Cb -0.01 -2.65 0.00 0.00 -0.00 0.00 0.00 33.47 30.81 1y4m s TRP 96 CO 0.17 -0.27 0.47 1.33 -0.00 0.00 0.00 176.95 178.65 1y4m n VAL 97 N -1.51 0.19 -0.23 5.86 0.24 -1.26 -5.25 118.33 116.37 1y4m n VAL 97 Ca 0.05 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 1y4m n VAL 97 Cb 0.54 1.16 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 1y4m n VAL 97 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49