#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k2d n MET 34 N 0.00 1.77 -3.22 -3.83 1.56 -1.26 -4.70 117.12 107.44 2k2d n MET 34 Ca 0.00 0.53 -0.39 0.00 -0.27 0.00 0.00 57.70 57.57 2k2d n MET 34 Cb 0.00 -2.89 -0.06 0.00 2.15 0.00 0.00 33.22 32.42 2k2d n MET 34 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 2k2d s THR 35 N 7.12 5.09 -0.01 1.12 -4.23 -1.26 -0.51 115.64 122.96 2k2d s THR 35 Ca 1.02 1.01 0.03 0.00 -1.18 0.00 0.00 61.69 62.58 2k2d s THR 35 Cb -0.56 -3.87 -0.01 0.00 1.34 0.00 0.00 72.50 69.40 2k2d s THR 35 CO 0.43 0.17 -0.11 0.68 -0.54 0.00 0.00 174.62 175.25 2k2d s VAL 36 N 1.62 0.89 -0.17 2.29 -7.23 0.04 -4.90 120.40 112.94 2k2d s VAL 36 Ca 0.25 -0.50 -0.24 0.00 -1.81 0.00 0.00 61.98 59.69 2k2d s VAL 36 Cb -0.16 -0.75 -0.02 0.00 0.56 0.00 0.00 36.38 36.02 2k2d s VAL 36 CO 0.10 0.24 0.75 1.51 -0.31 0.00 0.00 175.10 177.39 2k2d s ASP 37 N -0.29 6.86 -0.08 4.85 -4.77 -1.26 -1.58 116.67 120.40 2k2d s ASP 37 Ca 0.04 1.06 0.05 0.00 -3.30 0.00 0.00 52.55 50.40 2k2d s ASP 37 Cb -0.04 -2.41 -0.00 0.00 -1.09 0.00 0.00 42.92 39.37 2k2d s ASP 37 CO -0.00 -0.34 -0.24 0.27 0.70 0.00 0.00 175.17 175.56 2k2d s ILE 38 N 1.97 2.02 -0.24 2.11 -5.25 -0.53 -1.78 121.20 119.51 2k2d s ILE 38 Ca 0.35 -1.02 -0.07 0.00 -0.99 0.00 0.00 60.65 58.92 2k2d s ILE 38 Cb -0.16 -1.73 -0.03 0.00 2.95 0.00 0.00 42.46 43.49 2k2d s ILE 38 CO 0.12 0.56 0.05 -0.22 -1.79 0.00 0.00 174.94 173.65 2k2d s LEU 39 N 0.10 3.36 0.45 0.37 0.20 0.21 -1.36 118.68 122.01 2k2d s LEU 39 Ca -0.11 -0.22 -0.24 0.00 0.69 0.00 0.00 54.13 54.24 2k2d s LEU 39 Cb -0.16 -1.89 -0.08 0.00 -0.43 0.00 0.00 46.19 43.64 2k2d s LEU 39 CO 0.06 -0.01 1.31 0.00 -0.29 0.00 0.00 176.35 177.42 2k2d n ASN 41 N -0.28 0.57 -0.12 0.00 3.02 -0.84 -3.51 115.26 114.09 2k2d n ASN 41 Ca 0.06 0.17 -0.21 0.00 -0.03 0.00 0.00 54.58 54.57 2k2d n ASN 41 Cb 0.44 -0.09 -0.07 0.00 -0.61 0.00 0.00 39.78 39.45 2k2d n ASN 41 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2k2d n ASP 42 N -1.90 1.95 -0.57 6.41 5.68 -1.26 -4.69 116.55 122.16 2k2d n ASP 42 Ca 0.05 0.34 0.12 0.00 -0.50 0.00 0.00 54.79 54.80 2k2d n ASP 42 Cb 0.40 -0.79 0.11 0.00 -1.14 0.00 0.00 41.12 39.69 2k2d n ASP 42 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k2d n ASN 44 N 0.24 -7.06 0.00 0.00 5.15 -1.23 -5.02 115.26 107.34 2k2d n ASN 44 Ca 0.11 0.33 0.00 0.00 -0.60 0.00 0.00 54.58 54.42 2k2d n ASN 44 Cb 0.48 -3.96 0.00 0.00 -0.53 0.00 0.00 39.78 35.77 2k2d n ASN 44 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k2d n GLY 45 N -0.17 2.36 3.78 8.20 0.00 -1.26 -4.95 105.19 113.16 2k2d n GLY 45 Ca 0.04 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 2k2d n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k2d s ARG 46 N -1.47 2.91 -0.05 1.61 1.70 -1.26 -1.43 118.95 120.96 2k2d s ARG 46 Ca 0.00 -0.67 0.01 0.00 -0.47 0.00 0.00 55.73 54.60 2k2d s ARG 46 Cb 0.00 -2.74 0.02 0.00 -0.57 0.00 0.00 34.95 31.66 2k2d s ARG 46 CO 0.00 0.57 -0.04 -1.12 -1.08 0.00 0.00 175.30 173.63 2k2d s SER 47 N -2.35 0.97 -0.46 -2.89 0.01 -0.46 -4.87 113.70 103.65 2k2d s SER 47 Ca 0.29 -0.12 -0.25 0.00 1.31 0.00 0.00 55.95 57.18 2k2d s SER 47 Cb -0.12 -0.44 0.03 0.00 0.21 0.00 0.00 66.02 65.70 2k2d s SER 47 CO 0.22 -0.07 0.88 -0.89 0.41 0.00 0.00 173.24 173.79 2k2d s THR 48 N 1.00 4.53 0.25 1.44 2.01 -1.26 -1.45 115.64 122.16 2k2d s THR 48 Ca -0.10 0.64 0.01 0.00 0.31 0.00 0.00 61.69 62.56 2k2d s THR 48 Cb -0.14 -4.40 -0.04 0.00 0.01 0.00 0.00 72.50 67.93 2k2d s THR 48 CO -0.00 -0.80 0.15 0.68 -0.69 0.00 0.00 174.62 173.95 2k2d s VAL 49 N 3.61 0.17 0.51 3.82 -7.23 -0.62 -4.88 120.40 115.78 2k2d s VAL 49 Ca 0.35 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.32 2k2d s VAL 49 Cb -0.11 -2.53 -0.07 0.00 0.56 0.00 0.00 36.38 34.23 2k2d s VAL 49 CO 0.25 0.00 1.07 0.00 -0.31 0.00 0.00 175.10 176.11 2k2d s GLN 50 N -3.97 3.62 -0.09 4.82 1.03 -1.26 -0.78 119.66 123.04 2k2d s GLN 50 Ca 0.38 1.42 -0.30 0.00 0.04 0.00 0.00 55.36 56.91 2k2d s GLN 50 Cb 0.06 -2.06 -0.04 0.00 0.03 0.00 0.00 33.01 31.00 2k2d s GLN 50 CO 0.16 -0.59 1.48 0.12 -2.54 0.00 0.00 175.29 173.91 2k2d s PHE 51 N -1.96 2.39 -0.09 9.60 5.36 0.34 -4.73 117.98 128.89 2k2d s PHE 51 Ca 0.69 0.56 0.03 0.00 -0.96 0.00 0.00 56.93 57.25 2k2d s PHE 51 Cb -0.19 -3.73 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 2k2d s PHE 51 CO 0.23 -2.89 -0.20 -1.58 -1.46 0.00 0.00 175.22 169.32 2k2d s HIS 52 N 3.69 2.24 0.37 10.12 5.65 -1.26 -4.87 115.29 131.22 2k2d s HIS 52 Ca 0.65 -0.92 0.09 0.00 0.25 0.00 0.00 55.06 55.13 2k2d s HIS 52 Cb -0.29 -1.53 0.71 0.00 -1.18 0.00 0.00 32.58 30.29 2k2d s HIS 52 CO 0.23 -0.39 1.87 0.82 -0.65 0.00 0.00 174.74 176.62 2k2d h ILE 53 N 5.80 1.21 -0.58 0.89 2.04 -2.03 -2.17 117.51 122.67 2k2d h ILE 53 Ca -0.23 -0.95 -0.19 0.00 1.00 0.00 0.00 64.86 64.48 2k2d h ILE 53 Cb 1.22 1.31 -0.12 0.00 -0.74 0.00 0.00 36.82 38.49 2k2d h ILE 53 CO 0.48 0.29 0.25 0.18 0.00 0.00 0.00 178.15 179.35 2k2d n LEU 54 N -4.22 5.14 -0.02 1.44 7.99 -1.26 -4.96 117.00 121.11 2k2d n LEU 54 Ca -0.01 -2.67 0.00 0.00 -0.01 0.00 0.00 56.01 53.32 2k2d n LEU 54 Cb 0.31 -0.70 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 2k2d n LEU 54 CO 0.39 0.72 0.00 0.61 -1.51 0.00 0.00 177.39 177.60 2k2d n GLY 55 N -0.14 0.97 3.71 -0.72 0.00 -0.81 -4.99 105.19 103.21 2k2d n GLY 55 Ca 0.32 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 -4.31 4.36 -0.44 1.61 -1.94 -1.25 -4.70 119.30 112.62 2k2d s MET 56 Ca 0.00 1.95 -0.20 0.00 -1.71 0.00 0.00 55.69 55.73 2k2d s MET 56 Cb 0.00 -3.32 0.03 0.00 2.01 0.00 0.00 34.83 33.54 2k2d s MET 56 CO 0.00 -0.39 0.61 0.21 -0.01 0.00 0.00 175.02 175.45 2k2d s LYS 57 N 1.24 3.23 0.14 2.03 2.20 -1.26 -4.31 119.74 123.01 2k2d s LYS 57 Ca 0.62 -0.49 -0.31 0.00 -0.36 0.00 0.00 55.97 55.43 2k2d s LYS 57 Cb -0.33 -3.97 -0.10 0.00 -1.51 0.00 0.00 37.83 31.91 2k2d s LYS 57 CO 0.29 -1.02 1.69 0.00 -0.36 0.00 0.00 175.35 175.95 2k2d n LYS 59 N 4.81 0.91 0.11 0.00 4.76 -1.26 -0.72 118.16 126.77 2k2d n LYS 59 Ca 0.16 -0.28 -0.20 0.00 -2.87 0.00 0.00 58.31 55.12 2k2d n LYS 59 Cb 0.38 -1.49 -0.13 0.00 -1.84 0.00 0.00 35.03 31.95 2k2d n LYS 59 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2k2d h ILE 60 N 0.68 1.38 0.00 -0.18 2.04 -1.94 -3.42 117.51 116.07 2k2d h ILE 60 Ca 0.00 -2.76 0.00 0.00 1.00 0.00 0.00 64.86 63.10 2k2d h ILE 60 Cb 0.28 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 2k2d h ILE 60 CO 0.00 0.82 0.00 0.00 0.00 0.00 0.00 178.15 178.97 2k2d n GLU 62 N 0.00 -0.71 -3.97 0.00 -0.58 0.10 -5.01 120.64 110.48 2k2d n GLU 62 Ca 0.00 0.85 -0.36 0.00 -0.42 0.00 0.00 57.16 57.23 2k2d n GLU 62 Cb 0.14 -4.78 -0.08 0.00 -0.57 0.00 0.00 31.44 26.15 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 -2.89 5.98 0.00 1.62 0.15 -1.25 -4.82 113.70 112.49 2k2d s SER 63 Ca 0.00 0.28 0.21 0.00 0.70 0.00 0.00 55.95 57.14 2k2d s SER 63 Cb 0.00 -1.95 0.53 0.00 -1.71 0.00 0.00 66.02 62.89 2k2d s SER 63 CO 0.00 0.31 1.45 0.00 1.20 0.00 0.00 173.24 176.20 2k2d n TYR 64 N 2.66 0.62 -2.17 3.44 0.18 -1.26 -2.76 117.16 117.86 2k2d n TYR 64 Ca -0.18 -0.31 -0.30 0.00 1.88 0.00 0.00 57.90 58.98 2k2d n TYR 64 Cb 0.54 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.45 2k2d n TYR 64 CO 0.00 0.00 0.00 1.21 -2.08 0.00 0.00 176.86 175.99 2k2d s ASN 65 N -1.28 5.46 0.16 9.48 2.47 -1.26 -4.49 114.94 125.46 2k2d s ASN 65 Ca 0.40 -1.14 -0.04 0.00 0.42 0.00 0.00 52.86 52.50 2k2d s ASN 65 Cb 0.22 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 37.42 2k2d s ASN 65 CO 0.30 -2.51 0.16 0.42 -3.72 0.00 0.00 177.10 171.75 2k2d s THR 66 N 9.05 0.07 0.04 -5.21 -4.23 -1.26 -1.99 115.64 112.11 2k2d s THR 66 Ca 0.65 -1.75 0.06 0.00 -1.18 0.00 0.00 61.69 59.47 2k2d s THR 66 Cb -0.04 -2.07 -0.02 0.00 1.34 0.00 0.00 72.50 71.71 2k2d s THR 66 CO 0.01 -0.32 -0.17 0.00 -0.54 0.00 0.00 174.62 173.61 2k2d s ALA 67 N -4.04 1.42 -0.18 3.99 0.00 -0.25 -4.88 121.76 117.83 2k2d s ALA 67 Ca 0.24 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 2k2d s ALA 67 Cb 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 2k2d s ALA 67 CO 0.03 0.30 1.57 -1.14 0.00 0.00 0.00 175.76 176.52 2k2d s GLN 68 N -1.13 3.94 0.22 0.00 0.74 -1.26 -0.62 119.66 121.55 2k2d s GLN 68 Ca 0.04 1.76 -0.28 0.00 0.05 0.00 0.00 55.36 56.94 2k2d s GLN 68 Cb -0.08 -3.98 -0.09 0.00 1.10 0.00 0.00 33.01 29.96 2k2d s GLN 68 CO 0.01 -1.11 0.87 0.00 -0.55 0.00 0.00 175.29 174.51 2k2d s ALA 69 N 4.69 3.37 -0.15 1.58 0.00 -0.74 -4.89 121.76 125.63 2k2d s ALA 69 Ca 0.69 0.50 -0.03 0.00 0.00 0.00 0.00 51.96 53.12 2k2d s ALA 69 Cb -0.26 -3.10 0.05 0.00 0.00 0.00 0.00 23.12 19.81 2k2d s ALA 69 CO 0.27 0.24 0.05 0.20 0.00 0.00 0.00 175.76 176.52 2k2d s GLY 70 N -1.22 0.53 -1.41 0.00 0.00 -1.26 -4.73 107.32 99.22 2k2d s GLY 70 Ca 0.40 -0.42 -0.11 0.00 0.00 0.00 0.00 44.72 44.59 2k2d s GLY 70 CO 0.29 1.46 2.22 0.61 0.00 0.00 0.00 173.10 177.67 2k2d n GLY 71 N 5.15 4.59 3.63 0.20 0.00 -1.26 -4.95 105.19 112.54 2k2d n GLY 71 Ca -0.08 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 2k2d n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k2d s ARG 72 N 1.76 4.08 -0.58 1.61 0.52 -1.26 -5.00 118.95 120.08 2k2d s ARG 72 Ca 0.48 0.78 -0.23 0.00 -0.52 0.00 0.00 55.73 56.25 2k2d s ARG 72 Cb 0.13 -3.69 0.05 0.00 0.52 0.00 0.00 34.95 31.97 2k2d s ARG 72 CO -0.05 -0.61 0.89 0.50 0.02 0.00 0.00 175.30 176.05 2k2d s ARG 73 N 2.93 3.22 -0.20 3.54 3.00 -1.26 -5.02 118.95 125.16 2k2d s ARG 73 Ca 0.34 -0.57 -0.18 0.00 -1.00 0.00 0.00 55.73 54.32 2k2d s ARG 73 Cb -0.15 -4.12 -0.03 0.00 0.00 0.00 0.00 34.95 30.65 2k2d s ARG 73 CO 0.10 -1.55 0.50 0.42 0.00 0.00 0.00 175.30 174.77 2k2d s ILE 74 N 3.75 5.12 -0.36 4.11 1.01 -1.26 -5.03 121.20 128.53 2k2d s ILE 74 Ca 0.25 0.92 -0.28 0.00 0.00 0.00 0.00 60.65 61.53 2k2d s ILE 74 Cb -0.15 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.51 2k2d s ILE 74 CO 0.15 0.18 1.06 -0.44 0.00 0.00 0.00 174.94 175.89 2k2d s SER 75 N 1.16 6.83 -0.59 3.58 0.01 -1.26 -4.99 113.70 118.44 2k2d s SER 75 Ca 0.23 0.85 -0.13 0.00 1.31 0.00 0.00 55.95 58.21 2k2d s SER 75 Cb -0.15 -2.53 0.15 0.00 0.21 0.00 0.00 66.02 63.70 2k2d s SER 75 CO 0.09 -0.95 0.52 -0.22 0.41 0.00 0.00 173.24 173.09 2k2d s LEU 76 N 3.77 6.14 -0.16 2.44 1.98 -1.26 -4.87 118.68 126.72 2k2d s LEU 76 Ca 0.44 -2.09 -0.12 0.00 -2.89 0.00 0.00 54.13 49.48 2k2d s LEU 76 Cb -0.11 -2.14 -0.23 0.00 0.66 0.00 0.00 46.19 44.37 2k2d s LEU 76 CO 0.19 -0.73 0.27 0.47 -1.89 0.00 0.00 176.35 174.66 2k2d n ASP 77 N 4.77 2.03 -3.50 3.68 9.92 -1.26 -5.01 116.55 127.18 2k2d n ASP 77 Ca -0.05 0.27 -0.19 0.00 -0.53 0.00 0.00 54.79 54.29 2k2d n ASP 77 Cb 0.42 -0.88 0.08 0.00 -0.64 0.00 0.00 41.12 40.10 2k2d n ASP 77 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 2k2d n GLN 78 N -3.82 -6.85 0.00 -1.24 -0.06 -1.26 -5.37 117.38 98.78 2k2d n GLN 78 Ca -0.33 0.82 0.09 0.00 -2.00 0.00 0.00 57.00 55.58 2k2d n GLN 78 Cb 0.92 -5.82 0.08 0.00 -4.06 0.00 0.00 30.24 21.36 2k2d n GLN 78 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90