#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2d s MET 34 N 0.00 2.85 -0.03 3.52 1.75 -1.26 -4.93 119.30 121.21 2k2d s MET 34 Ca 0.00 1.10 -0.00 0.00 -1.25 0.00 0.00 55.69 55.54 2k2d s MET 34 Cb 0.00 -4.34 0.03 0.00 2.84 0.00 0.00 34.83 33.36 2k2d s MET 34 CO 0.00 -2.44 0.02 0.95 -0.65 0.00 0.00 175.02 172.90 2k2d s THR 35 N 8.61 0.08 0.04 10.11 -4.23 -1.26 -4.06 115.64 124.93 2k2d s THR 35 Ca 0.78 0.16 0.09 0.00 -1.18 0.00 0.00 61.69 61.54 2k2d s THR 35 Cb -0.18 -0.21 -0.03 0.00 1.34 0.00 0.00 72.50 73.42 2k2d s THR 35 CO 0.27 0.14 -0.25 0.68 -0.54 0.00 0.00 174.62 174.92 2k2d s VAL 36 N 1.20 2.26 -0.03 2.29 -7.23 0.26 -4.85 120.40 114.30 2k2d s VAL 36 Ca -0.07 -1.33 -0.30 0.00 -1.81 0.00 0.00 61.98 58.47 2k2d s VAL 36 Cb -0.13 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 2k2d s VAL 36 CO -0.02 0.38 1.01 1.51 -0.31 0.00 0.00 175.10 177.67 2k2d s ASP 37 N -1.23 7.30 -0.07 4.85 -4.77 -1.26 -2.28 116.67 119.21 2k2d s ASP 37 Ca 0.12 1.65 0.04 0.00 -3.30 0.00 0.00 52.55 51.05 2k2d s ASP 37 Cb -0.10 -2.57 0.00 0.00 -1.09 0.00 0.00 42.92 39.17 2k2d s ASP 37 CO 0.02 -0.35 -0.19 0.27 0.70 0.00 0.00 175.17 175.63 2k2d s ILE 38 N 1.39 1.61 -0.25 2.11 -5.25 -0.56 -1.90 121.20 118.35 2k2d s ILE 38 Ca 0.51 -0.78 -0.07 0.00 -0.99 0.00 0.00 60.65 59.33 2k2d s ILE 38 Cb -0.21 -1.41 -0.02 0.00 2.95 0.00 0.00 42.46 43.78 2k2d s ILE 38 CO 0.25 0.46 0.05 -0.22 -1.79 0.00 0.00 174.94 173.69 2k2d s LEU 39 N 0.32 3.39 0.41 0.37 0.20 0.32 -1.78 118.68 121.91 2k2d s LEU 39 Ca -0.12 -0.31 -0.26 0.00 0.69 0.00 0.00 54.13 54.12 2k2d s LEU 39 Cb -0.15 -1.88 -0.09 0.00 -0.43 0.00 0.00 46.19 43.63 2k2d s LEU 39 CO 0.05 -0.05 1.41 0.00 -0.29 0.00 0.00 176.35 177.47 2k2d n ASN 41 N 0.13 0.67 -0.11 0.00 4.13 -1.10 -3.05 115.26 115.94 2k2d n ASN 41 Ca 0.03 0.19 -0.18 0.00 1.68 0.00 0.00 54.58 56.30 2k2d n ASN 41 Cb 0.41 -0.03 -0.07 0.00 -1.54 0.00 0.00 39.78 38.55 2k2d n ASN 41 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2k2d n ASP 42 N -2.06 1.90 -0.58 6.41 5.75 -1.26 -4.64 116.55 122.07 2k2d n ASP 42 Ca 0.04 0.42 0.10 0.00 -0.01 0.00 0.00 54.79 55.34 2k2d n ASP 42 Cb 0.42 -0.85 0.02 0.00 -1.03 0.00 0.00 41.12 39.69 2k2d n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k2d n ASN 44 N 0.32 -2.38 -3.96 0.00 3.02 -1.17 -5.00 115.26 106.09 2k2d n ASN 44 Ca 0.10 -0.77 -0.19 0.00 -0.03 0.00 0.00 54.58 53.69 2k2d n ASN 44 Cb 0.46 -4.23 -0.16 0.00 -0.61 0.00 0.00 39.78 35.25 2k2d n ASN 44 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2k2d s GLY 45 N -4.08 0.45 0.05 7.41 0.00 -1.26 -4.84 107.32 105.06 2k2d s GLY 45 Ca 0.18 -0.22 -0.08 0.00 0.00 0.00 0.00 44.72 44.60 2k2d s GLY 45 CO 0.80 0.06 0.34 1.09 0.00 0.00 0.00 173.10 175.38 2k2d s ARG 46 N 0.36 3.66 -0.02 2.90 1.70 -1.25 -1.70 118.95 124.60 2k2d s ARG 46 Ca -0.05 0.03 0.01 0.00 -0.47 0.00 0.00 55.73 55.25 2k2d s ARG 46 Cb -0.09 -3.02 0.01 0.00 -0.57 0.00 0.00 34.95 31.27 2k2d s ARG 46 CO 0.00 0.59 -0.03 -1.12 -1.08 0.00 0.00 175.30 173.66 2k2d s SER 47 N -1.80 0.57 -0.50 -2.89 0.01 -0.73 -4.86 113.70 103.49 2k2d s SER 47 Ca 0.31 -0.08 -0.22 0.00 1.31 0.00 0.00 55.95 57.28 2k2d s SER 47 Cb -0.13 -0.17 0.04 0.00 0.21 0.00 0.00 66.02 65.97 2k2d s SER 47 CO 0.18 -0.00 0.76 -0.89 0.41 0.00 0.00 173.24 173.70 2k2d s THR 48 N 0.35 4.66 0.26 1.44 2.01 -1.26 -1.50 115.64 121.59 2k2d s THR 48 Ca -0.04 0.00 0.01 0.00 0.31 0.00 0.00 61.69 61.98 2k2d s THR 48 Cb -0.07 -4.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 2k2d s THR 48 CO -0.00 -0.87 0.22 0.68 -0.69 0.00 0.00 174.62 173.95 2k2d s VAL 49 N 3.23 0.00 0.64 3.82 -7.23 -0.97 -4.90 120.40 114.99 2k2d s VAL 49 Ca 0.24 -1.94 -0.15 0.00 -1.81 0.00 0.00 61.98 58.32 2k2d s VAL 49 Cb -0.15 -2.49 -0.01 0.00 0.56 0.00 0.00 36.38 34.28 2k2d s VAL 49 CO 0.17 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.04 2k2d s GLN 50 N -3.83 3.02 -0.84 4.82 -2.07 -1.26 -0.57 119.66 118.93 2k2d s GLN 50 Ca 0.38 1.25 -0.25 0.00 -1.82 0.00 0.00 55.36 54.93 2k2d s GLN 50 Cb 0.05 -1.99 0.01 0.00 -1.09 0.00 0.00 33.01 29.98 2k2d s GLN 50 CO 0.18 -1.06 1.62 0.12 -1.32 0.00 0.00 175.29 174.83 2k2d s PHE 51 N -2.48 2.11 -0.38 9.60 5.36 -1.26 -4.75 117.98 126.18 2k2d s PHE 51 Ca 0.64 0.04 -0.19 0.00 -0.96 0.00 0.00 56.93 56.46 2k2d s PHE 51 Cb -0.18 -4.39 0.01 0.00 -0.34 0.00 0.00 43.02 38.12 2k2d s PHE 51 CO 0.41 -1.99 0.58 -1.58 -1.46 0.00 0.00 175.22 171.18 2k2d s HIS 52 N 7.28 3.14 0.44 10.12 5.65 -1.26 -4.96 115.29 135.70 2k2d s HIS 52 Ca 0.54 0.13 0.25 0.00 0.25 0.00 0.00 55.06 56.23 2k2d s HIS 52 Cb -0.06 -3.10 1.39 0.00 -1.18 0.00 0.00 32.58 29.63 2k2d s HIS 52 CO 0.04 -0.66 2.07 0.82 -0.65 0.00 0.00 174.74 176.36 2k2d h ILE 53 N 5.71 0.69 -0.23 0.89 2.04 -2.02 -0.92 117.51 123.67 2k2d h ILE 53 Ca -0.27 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2k2d h ILE 53 Cb 1.11 1.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 2k2d h ILE 53 CO 0.82 0.12 0.00 0.18 0.00 0.00 0.00 178.15 179.27 2k2d n LEU 54 N -3.81 2.20 0.00 1.44 4.32 -1.26 -4.90 117.00 114.99 2k2d n LEU 54 Ca -0.02 -1.11 0.00 0.00 -0.02 0.00 0.00 56.01 54.86 2k2d n LEU 54 Cb 0.22 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 2k2d n LEU 54 CO 0.31 0.37 0.00 0.61 -1.22 0.00 0.00 177.39 177.47 2k2d n GLY 55 N 0.50 2.83 3.81 -0.72 0.00 -0.36 -5.03 105.19 106.22 2k2d n GLY 55 Ca 0.10 -1.08 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 2k2d n GLY 55 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k2d s MET 56 N -4.25 4.28 -0.44 1.61 -1.94 -1.20 -4.72 119.30 112.64 2k2d s MET 56 Ca 0.00 1.18 -0.27 0.00 -1.71 0.00 0.00 55.69 54.89 2k2d s MET 56 Cb 0.00 -2.32 0.03 0.00 2.01 0.00 0.00 34.83 34.55 2k2d s MET 56 CO 0.00 0.02 1.03 0.21 -0.01 0.00 0.00 175.02 176.27 2k2d s LYS 57 N -2.93 3.70 -0.28 2.03 2.20 -1.26 -4.20 119.74 119.01 2k2d s LYS 57 Ca 0.60 0.47 -0.27 0.00 -0.36 0.00 0.00 55.97 56.40 2k2d s LYS 57 Cb -0.12 -3.89 0.01 0.00 -1.51 0.00 0.00 37.83 32.33 2k2d s LYS 57 CO 0.16 -1.23 0.97 0.00 -0.36 0.00 0.00 175.35 174.89 2k2d n LYS 59 N 6.44 0.54 0.09 0.00 5.02 -1.26 -0.44 118.16 128.55 2k2d n LYS 59 Ca 0.09 -0.13 -0.13 0.00 -2.02 0.00 0.00 58.31 56.13 2k2d n LYS 59 Cb 0.47 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.85 2k2d n LYS 59 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2k2d h ILE 60 N 0.31 1.55 0.00 -0.18 2.04 -1.92 -3.40 117.51 115.91 2k2d h ILE 60 Ca 0.00 -3.17 0.00 0.00 1.00 0.00 0.00 64.86 62.69 2k2d h ILE 60 Cb 0.34 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 2k2d h ILE 60 CO 0.00 0.92 0.00 0.00 0.00 0.00 0.00 178.15 179.07 2k2d n GLU 62 N -0.20 -0.91 -3.85 0.00 -0.58 0.41 -5.03 120.64 110.49 2k2d n GLU 62 Ca 0.00 0.56 -0.34 0.00 -0.42 0.00 0.00 57.16 56.96 2k2d n GLU 62 Cb 0.00 -4.69 -0.05 0.00 -0.57 0.00 0.00 31.44 26.13 2k2d n GLU 62 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2k2d s SER 63 N -2.50 6.42 0.00 1.62 0.15 -1.24 -4.89 113.70 113.25 2k2d s SER 63 Ca 0.00 0.43 0.18 0.00 0.70 0.00 0.00 55.95 57.26 2k2d s SER 63 Cb 0.00 -2.04 0.37 0.00 -1.71 0.00 0.00 66.02 62.65 2k2d s SER 63 CO 0.00 0.25 1.30 -1.22 1.20 0.00 0.00 173.24 174.77 2k2d n TYR 64 N 0.97 0.48 -2.61 3.44 4.01 -1.26 -2.61 117.16 119.59 2k2d n TYR 64 Ca -0.11 -0.31 -0.43 0.00 -0.16 0.00 0.00 57.90 56.89 2k2d n TYR 64 Cb 0.53 -0.01 -0.01 0.00 -0.31 0.00 0.00 39.34 39.54 2k2d n TYR 64 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2k2d s ASN 65 N -1.20 6.77 0.03 7.72 2.47 -1.26 -4.00 114.94 125.47 2k2d s ASN 65 Ca 0.32 -2.25 0.01 0.00 0.42 0.00 0.00 52.86 51.36 2k2d s ASN 65 Cb 0.18 -2.56 -0.02 0.00 -1.45 0.00 0.00 41.25 37.40 2k2d s ASN 65 CO 0.25 -1.21 -0.05 0.42 -3.72 0.00 0.00 177.10 172.78 2k2d s THR 66 N 4.16 0.34 0.14 -5.21 -4.23 -1.26 -2.72 115.64 106.86 2k2d s THR 66 Ca 0.51 -1.04 0.05 0.00 -1.18 0.00 0.00 61.69 60.03 2k2d s THR 66 Cb 0.02 -0.49 -0.04 0.00 1.34 0.00 0.00 72.50 73.33 2k2d s THR 66 CO 0.03 -0.46 0.07 0.00 -0.54 0.00 0.00 174.62 173.72 2k2d s ALA 67 N -1.53 3.44 -0.22 3.99 0.00 -0.04 -4.84 121.76 122.55 2k2d s ALA 67 Ca -0.12 -1.19 -0.27 0.00 0.00 0.00 0.00 51.96 50.37 2k2d s ALA 67 Cb -0.09 -1.26 0.00 0.00 0.00 0.00 0.00 23.12 21.77 2k2d s ALA 67 CO -0.01 0.58 0.96 -1.14 0.00 0.00 0.00 175.76 176.15 2k2d s GLN 68 N -2.80 4.25 0.00 0.00 0.74 -1.26 -0.52 119.66 120.06 2k2d s GLN 68 Ca 0.29 1.21 0.00 0.00 0.05 0.00 0.00 55.36 56.91 2k2d s GLN 68 Cb -0.11 -3.63 0.00 0.00 1.10 0.00 0.00 33.01 30.37 2k2d s GLN 68 CO 0.21 -0.56 0.00 0.00 -0.55 0.00 0.00 175.29 174.39 2k2d n ALA 69 N 6.10 0.00 -1.17 1.58 0.00 -0.80 -4.89 120.51 121.33 2k2d n ALA 69 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2k2d n ALA 69 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2k2d n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k2d n GLY 70 N 1.91 -1.86 0.10 0.00 0.00 -1.16 -5.01 105.19 99.18 2k2d n GLY 70 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 2k2d n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k2d h GLY 71 N 0.00 0.24 -5.68 -0.02 0.00 -1.99 -3.42 103.07 92.19 2k2d h GLY 71 Ca 0.00 -0.14 -0.67 0.00 0.00 0.00 0.00 47.33 46.52 2k2d h GLY 71 CO 0.00 0.13 -0.84 0.50 0.00 0.00 0.00 176.54 176.34 2k2d s ARG 72 N -5.37 3.14 -0.27 4.80 0.52 -1.26 -5.10 118.95 115.41 2k2d s ARG 72 Ca -0.14 -0.80 -0.06 0.00 -0.52 0.00 0.00 55.73 54.20 2k2d s ARG 72 Cb 0.06 -2.49 -0.01 0.00 0.52 0.00 0.00 34.95 33.03 2k2d s ARG 72 CO 0.70 0.07 0.05 0.50 0.02 0.00 0.00 175.30 176.64 2k2d s ARG 73 N 0.65 3.32 -0.54 3.54 6.06 -1.26 -5.06 118.95 125.66 2k2d s ARG 73 Ca -0.10 -0.70 -0.05 0.00 -2.50 0.00 0.00 55.73 52.39 2k2d s ARG 73 Cb -0.16 -3.29 0.14 0.00 0.06 0.00 0.00 34.95 31.70 2k2d s ARG 73 CO 0.02 -0.32 0.36 0.96 -2.50 0.00 0.00 175.30 173.83 2k2d s ILE 74 N 1.53 3.79 -0.25 4.11 -4.36 -1.26 -5.06 121.20 119.69 2k2d s ILE 74 Ca 0.04 -2.40 -0.15 0.00 -0.26 0.00 0.00 60.65 57.89 2k2d s ILE 74 Cb -0.16 -3.50 -0.04 0.00 1.25 0.00 0.00 42.46 40.01 2k2d s ILE 74 CO 0.02 -0.81 0.36 -0.44 0.24 0.00 0.00 174.94 174.31 2k2d s SER 75 N 1.55 6.28 -0.25 4.36 0.01 -1.26 -5.06 113.70 119.33 2k2d s SER 75 Ca 0.12 0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.73 2k2d s SER 75 Cb -0.22 -2.20 0.06 0.00 0.21 0.00 0.00 66.02 63.87 2k2d s SER 75 CO -0.03 -0.13 -0.09 -0.22 0.41 0.00 0.00 173.24 173.17 2k2d s LEU 76 N 1.78 3.17 -0.18 2.44 0.20 -1.26 -5.08 118.68 119.75 2k2d s LEU 76 Ca 0.15 -1.33 0.00 0.00 0.69 0.00 0.00 54.13 53.65 2k2d s LEU 76 Cb -0.15 -1.43 0.01 0.00 -0.43 0.00 0.00 46.19 44.19 2k2d s LEU 76 CO 0.09 -0.20 -0.18 1.51 -0.29 0.00 0.00 176.35 177.28 2k2d s ASP 77 N 1.19 3.34 -0.55 3.68 -4.77 -1.26 -5.10 116.67 113.21 2k2d s ASP 77 Ca -0.08 -0.59 -0.10 0.00 -3.30 0.00 0.00 52.55 48.48 2k2d s ASP 77 Cb -0.20 -1.52 0.14 0.00 -1.09 0.00 0.00 42.92 40.25 2k2d s ASP 77 CO -0.05 0.01 0.43 -1.58 0.70 0.00 0.00 175.17 174.68 2k2d s GLN 78 N 1.22 2.71 0.00 2.11 -0.44 -1.26 -5.35 119.66 118.65 2k2d s GLN 78 Ca 0.03 -1.93 0.04 0.00 -2.50 0.00 0.00 55.36 50.99 2k2d s GLN 78 Cb -0.14 -4.03 0.03 0.00 -1.64 0.00 0.00 33.01 27.24 2k2d s GLN 78 CO -0.09 -1.23 0.62 1.04 0.50 0.00 0.00 175.29 176.14