#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 4.27 -0.21 3.52 0.23 -1.26 -4.55 119.30 121.30 2k2d s MET 34 Ca 0.00 2.27 -0.20 0.00 -1.03 0.00 0.00 55.69 56.73 2k2d s MET 34 Cb 0.00 -3.15 -0.03 0.00 -1.53 0.00 0.00 34.83 30.13 2k2d s MET 34 CO 0.00 -0.46 0.60 0.95 -2.03 0.00 0.00 175.02 174.08 2k2d s THR 35 N 0.45 5.04 0.18 3.16 -4.23 -1.26 -1.11 115.64 117.87 2k2d s THR 35 Ca 0.63 1.10 0.08 0.00 -1.18 0.00 0.00 61.69 62.32 2k2d s THR 35 Cb -0.41 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.47 2k2d s THR 35 CO 0.38 0.11 -0.16 0.68 -0.54 0.00 0.00 174.62 175.09 2k2d s VAL 36 N 1.97 1.69 -0.23 2.29 -7.23 -0.24 -4.92 120.40 113.72 2k2d s VAL 36 Ca 0.27 -2.03 -0.09 0.00 -1.81 0.00 0.00 61.98 58.32 2k2d s VAL 36 Cb -0.16 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 2k2d s VAL 36 CO 0.10 -0.48 0.11 1.51 -0.31 0.00 0.00 175.10 176.03 2k2d s ASP 37 N -2.95 5.64 -0.07 4.85 -4.77 -1.26 -1.78 116.67 116.33 2k2d s ASP 37 Ca 0.18 -0.02 0.05 0.00 -3.30 0.00 0.00 52.55 49.46 2k2d s ASP 37 Cb -0.03 -2.01 -0.01 0.00 -1.09 0.00 0.00 42.92 39.79 2k2d s ASP 37 CO 0.06 0.05 -0.23 0.27 0.70 0.00 0.00 175.17 176.01 2k2d s ILE 38 N 1.15 1.94 -0.22 2.11 -4.36 -0.73 -2.20 121.20 118.89 2k2d s ILE 38 Ca 0.06 -0.99 -0.05 0.00 -0.26 0.00 0.00 60.65 59.40 2k2d s ILE 38 Cb -0.14 -1.66 -0.02 0.00 1.25 0.00 0.00 42.46 41.89 2k2d s ILE 38 CO 0.04 0.54 0.00 -0.22 0.24 0.00 0.00 174.94 175.55 2k2d s LEU 39 N 0.01 3.16 0.50 0.37 0.20 0.13 -1.28 118.68 121.77 2k2d s LEU 39 Ca -0.08 -0.28 -0.22 0.00 0.69 0.00 0.00 54.13 54.24 2k2d s LEU 39 Cb -0.15 -1.82 -0.06 0.00 -0.43 0.00 0.00 46.19 43.74 2k2d s LEU 39 CO 0.05 -0.00 1.26 0.00 -0.29 0.00 0.00 176.35 177.37 2k2d n ASN 41 N -0.71 0.73 -0.09 0.00 4.13 -1.07 -3.40 115.26 114.85 2k2d n ASN 41 Ca 0.09 0.30 -0.15 0.00 1.68 0.00 0.00 54.58 56.49 2k2d n ASN 41 Cb 0.46 0.54 -0.07 0.00 -1.54 0.00 0.00 39.78 39.17 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 -2.71 1.85 -0.65 6.41 5.68 -1.26 -4.46 116.55 121.41 2k2d n ASP 42 Ca -0.05 0.49 0.12 0.00 -0.50 0.00 0.00 54.79 54.86 2k2d n ASP 42 Cb 0.68 -0.91 0.21 0.00 -1.14 0.00 0.00 41.12 39.96 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 0.50 -4.63 -4.21 0.00 4.13 -1.22 -4.98 115.26 104.86 2k2d n ASN 44 Ca 0.14 0.05 -0.24 0.00 1.68 0.00 0.00 54.58 56.21 2k2d n ASN 44 Cb 0.48 -3.88 -0.14 0.00 -1.54 0.00 0.00 39.78 34.70 2k2d n ASN 44 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2k2d s GLY 45 N -2.15 0.99 0.08 7.41 0.00 -1.26 -4.81 107.32 107.57 2k2d s GLY 45 Ca 0.06 -0.94 -0.04 0.00 0.00 0.00 0.00 44.72 43.79 2k2d s GLY 45 CO 0.07 -0.88 0.30 1.09 0.00 0.00 0.00 173.10 173.69 2k2d s ARG 46 N -1.04 3.56 -0.02 2.90 1.70 -1.26 -1.95 118.95 122.84 2k2d s ARG 46 Ca 0.06 -0.17 0.05 0.00 -0.47 0.00 0.00 55.73 55.20 2k2d s ARG 46 Cb -0.08 -2.97 -0.01 0.00 -0.57 0.00 0.00 34.95 31.31 2k2d s ARG 46 CO 0.01 0.56 -0.18 -1.12 -1.08 0.00 0.00 175.30 173.49 2k2d s SER 47 N -2.21 2.15 -0.44 -2.89 0.01 -0.40 -4.97 113.70 104.95 2k2d s SER 47 Ca 0.35 -0.34 -0.16 0.00 1.31 0.00 0.00 55.95 57.11 2k2d s SER 47 Cb -0.13 -0.35 0.04 0.00 0.21 0.00 0.00 66.02 65.80 2k2d s SER 47 CO 0.23 0.20 0.39 -0.89 0.41 0.00 0.00 173.24 173.58 2k2d s THR 48 N -0.29 5.18 0.26 1.44 2.01 -1.26 -1.76 115.64 121.21 2k2d s THR 48 Ca 0.04 -0.71 0.02 0.00 0.31 0.00 0.00 61.69 61.35 2k2d s THR 48 Cb -0.08 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 2k2d s THR 48 CO 0.00 -0.47 0.07 0.68 -0.69 0.00 0.00 174.62 174.21 2k2d s VAL 49 N 1.86 0.72 0.55 3.82 -7.23 -0.73 -4.92 120.40 114.47 2k2d s VAL 49 Ca 0.07 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.07 2k2d s VAL 49 Cb -0.20 -2.60 -0.06 0.00 0.56 0.00 0.00 36.38 34.08 2k2d s VAL 49 CO 0.10 -0.06 1.05 -1.10 -0.31 0.00 0.00 175.10 174.77 2k2d s GLN 50 N -3.99 3.53 -0.67 4.82 -0.21 -1.26 -1.08 119.66 120.80 2k2d s GLN 50 Ca 0.36 1.24 -0.26 0.00 0.02 0.00 0.00 55.36 56.71 2k2d s GLN 50 Cb 0.08 -2.06 -0.01 0.00 1.00 0.00 0.00 33.01 32.01 2k2d s GLN 50 CO 0.13 -0.64 1.77 0.12 -2.12 0.00 0.00 175.29 174.55 2k2d s PHE 51 N -2.31 1.79 -0.31 0.91 5.36 -0.26 -4.84 117.98 118.31 2k2d s PHE 51 Ca 0.64 0.60 -0.16 0.00 -0.96 0.00 0.00 56.93 57.06 2k2d s PHE 51 Cb -0.16 -4.18 -0.02 0.00 -0.34 0.00 0.00 43.02 38.32 2k2d s PHE 51 CO 0.31 -2.20 0.42 -1.58 -1.46 0.00 0.00 175.22 170.71 2k2d s HIS 52 N 8.60 3.22 0.33 10.12 5.65 -1.26 -4.81 115.29 137.13 2k2d s HIS 52 Ca 0.62 0.23 0.18 0.00 0.25 0.00 0.00 55.06 56.35 2k2d s HIS 52 Cb -0.11 -2.72 0.91 0.00 -1.18 0.00 0.00 32.58 29.48 2k2d s HIS 52 CO 0.17 -0.39 1.87 0.82 -0.65 0.00 0.00 174.74 176.56 2k2d h ILE 53 N 5.50 0.98 -0.46 0.89 5.03 -2.03 -2.50 117.51 124.92 2k2d h ILE 53 Ca -0.30 -1.13 0.00 0.00 -0.12 0.00 0.00 64.86 63.32 2k2d h ILE 53 Cb 1.14 1.65 0.00 0.00 -3.03 0.00 0.00 36.82 36.59 2k2d h ILE 53 CO 0.70 0.30 0.00 0.18 -0.68 0.00 0.00 178.15 178.65 2k2d n LEU 54 N -3.83 2.59 0.00 1.44 4.77 -1.26 -4.92 117.00 115.79 2k2d n LEU 54 Ca -0.01 -1.30 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 2k2d n LEU 54 Cb 0.38 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2k2d n LEU 54 CO 0.36 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 2k2d n GLY 55 N 1.17 2.57 3.65 -0.72 0.00 -0.95 -5.06 105.19 105.85 2k2d n GLY 55 Ca 0.16 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.42 4.08 -0.41 1.61 -1.94 -1.21 -4.79 119.30 114.23 2k2d s MET 56 Ca 0.00 1.83 -0.21 0.00 -1.71 0.00 0.00 55.69 55.60 2k2d s MET 56 Cb 0.00 -3.92 0.02 0.00 2.01 0.00 0.00 34.83 32.93 2k2d s MET 56 CO 0.00 -0.93 0.68 0.21 -0.01 0.00 0.00 175.02 174.97 2k2d s LYS 57 N 4.04 3.48 -0.02 2.03 2.20 -1.26 -4.27 119.74 125.95 2k2d s LYS 57 Ca 0.66 -0.11 -0.30 0.00 -0.36 0.00 0.00 55.97 55.86 2k2d s LYS 57 Cb -0.26 -3.89 -0.07 0.00 -1.51 0.00 0.00 37.83 32.10 2k2d s LYS 57 CO 0.24 -0.92 1.76 0.00 -0.36 0.00 0.00 175.35 176.07 2k2d n LYS 59 N 7.17 2.08 -0.10 0.00 5.02 -1.26 -0.61 118.16 130.47 2k2d n LYS 59 Ca 0.18 -0.99 -0.11 0.00 -2.02 0.00 0.00 58.31 55.37 2k2d n LYS 59 Cb 0.42 -1.59 -0.16 0.00 -0.02 0.00 0.00 35.03 33.68 2k2d n LYS 59 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2k2d n ILE 60 N 0.21 1.40 -0.25 -0.18 5.41 -1.26 -4.77 119.36 119.92 2k2d n ILE 60 Ca 0.09 -0.84 0.00 0.00 1.00 0.00 0.00 62.75 63.00 2k2d n ILE 60 Cb 0.46 -0.55 0.00 0.00 -0.71 0.00 0.00 39.64 38.84 2k2d n ILE 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2k2d n GLU 62 N 0.00 -0.56 -4.23 0.00 1.02 0.22 -5.03 120.64 112.06 2k2d n GLU 62 Ca 0.00 0.75 -0.32 0.00 -0.02 0.00 0.00 57.16 57.57 2k2d n GLU 62 Cb 0.05 -4.60 -0.08 0.00 -0.02 0.00 0.00 31.44 26.79 2k2d n GLU 62 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k2d s SER 63 N -2.89 5.17 0.00 1.62 0.15 -1.25 -4.83 113.70 111.66 2k2d s SER 63 Ca 0.00 -0.02 0.21 0.00 0.70 0.00 0.00 55.95 56.84 2k2d s SER 63 Cb 0.00 -1.35 0.53 0.00 -1.71 0.00 0.00 66.02 63.49 2k2d s SER 63 CO 0.00 0.26 1.45 0.00 1.20 0.00 0.00 173.24 176.15 2k2d n TYR 64 N 1.20 0.60 -2.46 3.44 4.11 -1.26 -2.69 117.16 120.11 2k2d n TYR 64 Ca -0.14 -0.30 -0.38 0.00 -0.00 0.00 0.00 57.90 57.08 2k2d n TYR 64 Cb 0.52 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.83 2k2d n TYR 64 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.86 178.07 2k2d s ASN 65 N -1.28 6.23 0.18 9.48 3.84 -1.26 -4.78 114.94 127.35 2k2d s ASN 65 Ca 0.39 -1.33 -0.02 0.00 0.21 0.00 0.00 52.86 52.11 2k2d s ASN 65 Cb 0.21 -2.57 -0.04 0.00 -0.55 0.00 0.00 41.25 38.31 2k2d s ASN 65 CO 0.29 -1.75 0.14 0.42 -2.79 0.00 0.00 177.10 173.41 2k2d s THR 66 N 6.01 0.03 -0.06 -5.21 -4.23 -1.26 -2.58 115.64 108.33 2k2d s THR 66 Ca 0.51 -1.92 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 2k2d s THR 66 Cb -0.01 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.48 2k2d s THR 66 CO -0.07 -0.12 -0.16 0.00 -0.54 0.00 0.00 174.62 173.72 2k2d s ALA 67 N -4.12 1.52 -0.12 3.99 0.00 0.09 -4.86 121.76 118.25 2k2d s ALA 67 Ca 0.34 -0.62 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 2k2d s ALA 67 Cb 0.06 -0.57 -0.04 0.00 0.00 0.00 0.00 23.12 22.57 2k2d s ALA 67 CO 0.09 0.22 1.52 -1.14 0.00 0.00 0.00 175.76 176.44 2k2d s GLN 68 N 0.32 4.13 0.40 0.00 0.74 -1.26 -0.69 119.66 123.31 2k2d s GLN 68 Ca -0.10 1.92 -0.15 0.00 0.05 0.00 0.00 55.36 57.08 2k2d s GLN 68 Cb -0.14 -3.92 -0.08 0.00 1.10 0.00 0.00 33.01 29.96 2k2d s GLN 68 CO 0.04 -0.88 0.83 0.00 -0.55 0.00 0.00 175.29 174.72 2k2d s ALA 69 N 4.07 3.24 0.00 1.58 0.00 -0.94 -4.76 121.76 124.96 2k2d s ALA 69 Ca 0.67 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2k2d s ALA 69 Cb -0.28 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2k2d s ALA 69 CO 0.25 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.49 2k2d n GLY 70 N -0.96 1.04 2.62 0.00 0.00 -1.26 -4.83 105.19 101.80 2k2d n GLY 70 Ca 0.04 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2k2d n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k2d n GLY 71 N 0.00 0.15 2.78 -0.02 0.00 -1.26 -4.78 105.19 102.06 2k2d n GLY 71 Ca 0.00 -1.50 -0.30 0.00 0.00 0.00 0.00 46.02 44.22 2k2d n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k2d s ARG 72 N 0.00 0.87 -0.42 1.61 6.06 -1.26 -5.04 118.95 120.77 2k2d s ARG 72 Ca 0.00 -1.26 0.04 0.00 -2.50 0.00 0.00 55.73 52.00 2k2d s ARG 72 Cb 0.00 -2.20 0.11 0.00 0.06 0.00 0.00 34.95 32.93 2k2d s ARG 72 CO 0.00 -0.99 0.15 0.50 -2.50 0.00 0.00 175.30 172.45 2k2d s ARG 73 N 1.42 1.72 0.08 5.12 3.00 -1.26 -5.09 118.95 123.94 2k2d s ARG 73 Ca 0.11 -2.19 0.05 0.00 -1.00 0.00 0.00 55.73 52.69 2k2d s ARG 73 Cb -0.18 -3.27 -0.03 0.00 0.00 0.00 0.00 34.95 31.46 2k2d s ARG 73 CO -0.21 -1.02 -0.12 0.96 0.00 0.00 0.00 175.30 174.91 2k2d s ILE 74 N 0.40 1.04 -1.24 4.11 -4.36 -1.26 -5.06 121.20 114.82 2k2d s ILE 74 Ca 0.13 -1.46 -0.12 0.00 -0.26 0.00 0.00 60.65 58.95 2k2d s ILE 74 Cb -0.22 -1.19 0.17 0.00 1.25 0.00 0.00 42.46 42.47 2k2d s ILE 74 CO -0.05 -0.38 1.63 -1.20 0.24 0.00 0.00 174.94 175.18 2k2d n SER 75 N 0.94 5.15 -4.41 4.36 7.64 -1.26 -4.94 113.62 121.11 2k2d n SER 75 Ca -0.19 -3.03 -0.44 0.00 1.01 0.00 0.00 58.87 56.22 2k2d n SER 75 Cb 0.56 -1.54 -0.03 0.00 -1.01 0.00 0.00 64.21 62.19 2k2d n SER 75 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2k2d s LEU 76 N 0.95 5.33 -0.31 -3.43 2.96 -1.26 -4.88 118.68 118.04 2k2d s LEU 76 Ca 0.42 -1.80 0.04 0.00 -0.22 0.00 0.00 54.13 52.57 2k2d s LEU 76 Cb 0.02 -2.34 0.18 0.00 0.50 0.00 0.00 46.19 44.55 2k2d s LEU 76 CO 0.00 -1.06 0.51 -0.62 -1.32 0.00 0.00 176.35 173.87 2k2d s ASP 77 N 3.41 -0.68 -0.30 3.68 2.15 -1.26 -5.12 116.67 118.55 2k2d s ASP 77 Ca 0.22 -0.22 0.02 0.00 0.43 0.00 0.00 52.55 53.01 2k2d s ASP 77 Cb -0.13 1.59 0.09 0.00 -0.30 0.00 0.00 42.92 44.16 2k2d s ASP 77 CO -0.02 -0.31 0.01 0.00 -0.17 0.00 0.00 175.17 174.69 2k2d s GLN 78 N 2.56 1.46 0.00 4.34 -2.07 -1.26 -5.32 119.66 119.37 2k2d s GLN 78 Ca 0.11 -1.44 0.00 0.00 -1.82 0.00 0.00 55.36 52.21 2k2d s GLN 78 Cb -0.11 -2.78 0.00 0.00 -1.09 0.00 0.00 33.01 29.04 2k2d s GLN 78 CO -0.25 -0.82 0.09 0.00 -1.32 0.00 0.00 175.29 172.99