#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 4.18 -0.22 3.52 -2.45 -1.26 -4.74 119.30 118.33 2k2d s MET 34 Ca 0.00 2.33 -0.20 0.00 -1.25 0.00 0.00 55.69 56.57 2k2d s MET 34 Cb 0.00 -3.93 -0.02 0.00 1.25 0.00 0.00 34.83 32.13 2k2d s MET 34 CO 0.00 -0.84 0.62 0.95 1.05 0.00 0.00 175.02 176.79 2k2d s THR 35 N 3.77 5.02 -0.01 10.11 -4.23 -1.26 -1.19 115.64 127.85 2k2d s THR 35 Ca 0.77 1.14 0.04 0.00 -1.18 0.00 0.00 61.69 62.46 2k2d s THR 35 Cb -0.37 -3.93 -0.01 0.00 1.34 0.00 0.00 72.50 69.53 2k2d s THR 35 CO 0.33 0.09 -0.14 0.68 -0.54 0.00 0.00 174.62 175.04 2k2d s VAL 36 N 2.08 1.09 -0.25 2.29 -7.23 -0.07 -4.92 120.40 113.39 2k2d s VAL 36 Ca 0.27 -0.59 -0.16 0.00 -1.81 0.00 0.00 61.98 59.70 2k2d s VAL 36 Cb -0.16 -0.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 2k2d s VAL 36 CO 0.10 0.31 0.41 1.51 -0.31 0.00 0.00 175.10 177.11 2k2d s ASP 37 N -0.32 6.34 -0.15 4.85 -4.77 -1.26 -1.42 116.67 119.95 2k2d s ASP 37 Ca 0.05 0.40 -0.01 0.00 -3.30 0.00 0.00 52.55 49.69 2k2d s ASP 37 Cb -0.05 -2.23 -0.02 0.00 -1.09 0.00 0.00 42.92 39.53 2k2d s ASP 37 CO -0.01 -0.17 -0.10 0.27 0.70 0.00 0.00 175.17 175.86 2k2d s ILE 38 N 1.90 3.22 -0.18 2.11 -4.36 -0.63 -1.94 121.20 121.32 2k2d s ILE 38 Ca 0.17 -0.59 -0.05 0.00 -0.26 0.00 0.00 60.65 59.93 2k2d s ILE 38 Cb -0.15 -2.38 -0.03 0.00 1.25 0.00 0.00 42.46 41.15 2k2d s ILE 38 CO 0.09 0.50 -0.01 -0.22 0.24 0.00 0.00 174.94 175.54 2k2d s LEU 39 N 0.54 3.27 0.55 0.37 0.20 0.24 -1.47 118.68 122.38 2k2d s LEU 39 Ca -0.07 -0.17 -0.20 0.00 0.69 0.00 0.00 54.13 54.38 2k2d s LEU 39 Cb -0.15 -1.82 -0.05 0.00 -0.43 0.00 0.00 46.19 43.74 2k2d s LEU 39 CO 0.03 0.10 1.19 0.00 -0.29 0.00 0.00 176.35 177.39 2k2d n ASN 41 N -1.27 0.54 -0.10 0.00 3.02 -0.77 -3.04 115.26 113.64 2k2d n ASN 41 Ca 0.12 -0.01 -0.17 0.00 -0.03 0.00 0.00 54.58 54.49 2k2d n ASN 41 Cb 0.49 0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 39.74 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 -1.78 1.86 -0.47 6.41 5.68 -1.26 -4.68 116.55 122.32 2k2d n ASP 42 Ca 0.05 0.32 0.12 0.00 -0.50 0.00 0.00 54.79 54.77 2k2d n ASP 42 Cb 0.38 -0.74 0.10 0.00 -1.14 0.00 0.00 41.12 39.72 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 -0.08 -4.83 -4.24 0.00 4.13 -1.17 -4.96 115.26 104.11 2k2d n ASN 44 Ca 0.10 -0.05 -0.24 0.00 1.68 0.00 0.00 54.58 56.07 2k2d n ASN 44 Cb 0.45 -4.02 -0.14 0.00 -1.54 0.00 0.00 39.78 34.54 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 -2.28 1.09 0.09 7.41 0.00 -1.26 -4.74 107.32 107.63 2k2d s GLY 45 Ca 0.13 -1.07 0.03 0.00 0.00 0.00 0.00 44.72 43.81 2k2d s GLY 45 CO 0.16 -1.02 0.11 1.09 0.00 0.00 0.00 173.10 173.43 2k2d s ARG 46 N -1.37 2.98 -0.04 2.90 1.70 -1.26 -1.59 118.95 122.27 2k2d s ARG 46 Ca 0.06 -0.68 -0.00 0.00 -0.47 0.00 0.00 55.73 54.63 2k2d s ARG 46 Cb -0.09 -2.76 0.03 0.00 -0.57 0.00 0.00 34.95 31.55 2k2d s ARG 46 CO 0.02 0.56 0.00 -1.12 -1.08 0.00 0.00 175.30 173.68 2k2d s SER 47 N -2.55 0.86 -0.44 -2.89 0.01 -0.54 -4.87 113.70 103.27 2k2d s SER 47 Ca 0.30 -0.04 -0.24 0.00 1.31 0.00 0.00 55.95 57.29 2k2d s SER 47 Cb -0.12 -0.29 0.02 0.00 0.21 0.00 0.00 66.02 65.85 2k2d s SER 47 CO 0.23 -0.14 0.83 -0.89 0.41 0.00 0.00 173.24 173.69 2k2d s THR 48 N 1.39 4.60 0.36 1.44 2.01 -1.26 -1.60 115.64 122.57 2k2d s THR 48 Ca -0.04 0.60 0.03 0.00 0.31 0.00 0.00 61.69 62.59 2k2d s THR 48 Cb -0.13 -4.35 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 2k2d s THR 48 CO -0.02 -0.72 0.08 0.68 -0.69 0.00 0.00 174.62 173.95 2k2d s VAL 49 N 3.42 0.95 0.59 3.82 -7.23 -0.50 -4.90 120.40 116.54 2k2d s VAL 49 Ca 0.32 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.34 2k2d s VAL 49 Cb -0.12 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2k2d s VAL 49 CO 0.23 0.00 1.06 -1.10 -0.31 0.00 0.00 175.10 174.98 2k2d s GLN 50 N -3.84 3.31 -0.20 4.82 1.11 -1.26 -0.89 119.66 122.71 2k2d s GLN 50 Ca 0.31 1.20 -0.29 0.00 0.01 0.00 0.00 55.36 56.59 2k2d s GLN 50 Cb 0.06 -2.03 -0.01 0.00 -1.01 0.00 0.00 33.01 30.03 2k2d s GLN 50 CO 0.15 -0.81 1.21 0.12 0.01 0.00 0.00 175.29 175.96 2k2d s PHE 51 N -2.46 2.95 -0.16 0.91 5.36 -0.33 -4.82 117.98 119.42 2k2d s PHE 51 Ca 0.63 1.10 -0.01 0.00 -0.96 0.00 0.00 56.93 57.69 2k2d s PHE 51 Cb -0.16 -3.50 -0.01 0.00 -0.34 0.00 0.00 43.02 39.01 2k2d s PHE 51 CO 0.37 -1.41 -0.11 -1.58 -1.46 0.00 0.00 175.22 171.03 2k2d s HIS 52 N 3.53 2.85 0.31 10.12 5.65 -1.26 -4.88 115.29 131.62 2k2d s HIS 52 Ca 0.52 -0.78 0.03 0.00 0.25 0.00 0.00 55.06 55.08 2k2d s HIS 52 Cb -0.19 -1.92 0.51 0.00 -1.18 0.00 0.00 32.58 29.79 2k2d s HIS 52 CO 0.14 -0.34 1.80 0.82 -0.65 0.00 0.00 174.74 176.51 2k2d h ILE 53 N 5.51 1.23 -0.71 0.89 5.03 -2.04 -2.51 117.51 124.92 2k2d h ILE 53 Ca -0.31 -1.01 -0.31 0.00 -0.12 0.00 0.00 64.86 63.11 2k2d h ILE 53 Cb 1.19 1.12 -0.18 0.00 -3.03 0.00 0.00 36.82 35.92 2k2d h ILE 53 CO 0.58 0.33 0.39 0.18 -0.68 0.00 0.00 178.15 178.95 2k2d n LEU 54 N -4.21 5.66 0.00 1.44 7.99 -1.26 -4.97 117.00 121.65 2k2d n LEU 54 Ca 0.01 -2.98 0.00 0.00 -0.01 0.00 0.00 56.01 53.03 2k2d n LEU 54 Cb 0.32 -0.74 0.00 0.00 -0.11 0.00 0.00 43.42 42.89 2k2d n LEU 54 CO 0.40 0.84 0.00 0.61 -1.51 0.00 0.00 177.39 177.73 2k2d n GLY 55 N -0.48 2.56 3.99 -0.72 0.00 -0.95 -5.12 105.19 104.48 2k2d n GLY 55 Ca 0.41 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.77 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 -5.18 2.40 -0.10 1.61 -1.94 -1.26 -4.68 119.30 110.15 2k2d s MET 56 Ca 0.00 -1.08 0.03 0.00 -1.71 0.00 0.00 55.69 52.93 2k2d s MET 56 Cb 0.00 -2.54 -0.01 0.00 2.01 0.00 0.00 34.83 34.29 2k2d s MET 56 CO 0.00 -0.78 -0.19 0.21 -0.01 0.00 0.00 175.02 174.25 2k2d s LYS 57 N -4.73 3.05 -0.18 2.03 2.20 -1.26 -4.39 119.74 116.46 2k2d s LYS 57 Ca 0.59 -0.80 -0.28 0.00 -0.36 0.00 0.00 55.97 55.13 2k2d s LYS 57 Cb -0.09 -2.41 -0.00 0.00 -1.51 0.00 0.00 37.83 33.82 2k2d s LYS 57 CO 0.38 0.26 0.95 0.00 -0.36 0.00 0.00 175.35 176.59 2k2d h LYS 59 N 7.33 0.00 0.15 0.00 1.57 -1.91 0.23 116.57 123.94 2k2d h LYS 59 Ca -0.26 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.24 2k2d h LYS 59 Cb 1.11 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.43 2k2d h LYS 59 CO 0.89 0.00 -1.27 0.82 -0.57 0.00 0.00 179.45 179.32 2k2d h ILE 60 N 0.00 1.46 0.00 1.86 2.04 -1.93 -3.40 117.51 117.55 2k2d h ILE 60 Ca 0.00 -2.99 0.00 0.00 1.00 0.00 0.00 64.86 62.87 2k2d h ILE 60 Cb 0.65 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.68 2k2d h ILE 60 CO 0.00 0.88 0.00 0.00 0.00 0.00 0.00 178.15 179.03 2k2d n GLU 62 N 0.00 -1.34 -4.15 0.00 -0.58 0.07 -5.00 120.64 109.64 2k2d n GLU 62 Ca 0.00 0.72 -0.33 0.00 -0.42 0.00 0.00 57.16 57.12 2k2d n GLU 62 Cb 0.37 -5.05 -0.08 0.00 -0.57 0.00 0.00 31.44 26.12 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 -2.36 5.58 0.00 1.62 0.15 -1.24 -4.83 113.70 112.63 2k2d s SER 63 Ca 0.01 0.15 0.24 0.00 0.70 0.00 0.00 55.95 57.05 2k2d s SER 63 Cb -0.01 -1.60 0.22 0.00 -1.71 0.00 0.00 66.02 62.93 2k2d s SER 63 CO 0.02 0.30 1.23 0.00 1.20 0.00 0.00 173.24 175.99 2k2d n TYR 64 N 1.42 0.00 -2.28 3.44 4.11 -1.26 -2.03 117.16 120.56 2k2d n TYR 64 Ca -0.15 0.00 -0.34 0.00 -0.00 0.00 0.00 57.90 57.41 2k2d n TYR 64 Cb 0.53 -0.05 -0.04 0.00 -0.00 0.00 0.00 39.34 39.79 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 -2.55 5.78 0.10 9.48 2.47 -1.26 -4.82 114.94 124.14 2k2d s ASN 65 Ca 0.19 -1.71 -0.06 0.00 0.42 0.00 0.00 52.86 51.70 2k2d s ASN 65 Cb 0.18 -2.58 -0.01 0.00 -1.45 0.00 0.00 41.25 37.39 2k2d s ASN 65 CO 0.59 -2.25 0.15 0.42 -3.72 0.00 0.00 177.10 172.29 2k2d s THR 66 N 8.05 0.14 0.12 -5.21 -4.23 -1.26 -1.84 115.64 111.41 2k2d s THR 66 Ca 0.61 -1.43 0.07 0.00 -1.18 0.00 0.00 61.69 59.77 2k2d s THR 66 Cb -0.00 -1.56 -0.04 0.00 1.34 0.00 0.00 72.50 72.24 2k2d s THR 66 CO 0.06 -0.63 -0.17 0.00 -0.54 0.00 0.00 174.62 173.35 2k2d s ALA 67 N -3.92 1.66 -0.06 3.99 0.00 -0.13 -4.90 121.76 118.41 2k2d s ALA 67 Ca 0.10 -1.29 -0.30 0.00 0.00 0.00 0.00 51.96 50.47 2k2d s ALA 67 Cb 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 2k2d s ALA 67 CO -0.07 0.21 1.44 -0.65 0.00 0.00 0.00 175.76 176.68 2k2d s GLN 68 N -2.39 4.24 -0.27 0.00 -0.21 -1.26 -0.59 119.66 119.17 2k2d s GLN 68 Ca 0.09 1.94 -0.29 0.00 0.02 0.00 0.00 55.36 57.12 2k2d s GLN 68 Cb -0.07 -3.75 0.00 0.00 1.00 0.00 0.00 33.01 30.19 2k2d s GLN 68 CO 0.04 -0.69 1.21 0.00 -2.12 0.00 0.00 175.29 173.73 2k2d s ALA 69 N 3.18 3.49 0.01 6.09 0.00 -0.82 -4.40 121.76 129.31 2k2d s ALA 69 Ca 0.64 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2k2d s ALA 69 Cb -0.29 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.13 2k2d s ALA 69 CO 0.24 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 174.89 2k2d n GLY 70 N 3.97 -0.32 0.00 0.00 0.00 -1.26 -4.86 105.19 102.72 2k2d n GLY 70 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.12 1.54 3.49 -0.02 0.00 -1.26 -5.11 105.19 102.71 2k2d n GLY 71 Ca 0.00 0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.33 3.19 -0.71 1.61 3.52 -1.26 -5.01 118.95 119.95 2k2d s ARG 72 Ca 0.00 -0.60 -0.27 0.00 -0.13 0.00 0.00 55.73 54.73 2k2d s ARG 72 Cb 0.00 -3.99 0.03 0.00 -1.56 0.00 0.00 34.95 29.43 2k2d s ARG 72 CO 0.00 -1.03 1.23 0.50 -0.81 0.00 0.00 175.30 175.20 2k2d s ARG 73 N 2.61 3.22 -0.25 5.12 6.06 -1.26 -4.95 118.95 129.50 2k2d s ARG 73 Ca 0.18 -0.24 0.01 0.00 -2.50 0.00 0.00 55.73 53.17 2k2d s ARG 73 Cb -0.16 -4.16 0.07 0.00 0.06 0.00 0.00 34.95 30.75 2k2d s ARG 73 CO 0.16 -2.05 -0.03 0.96 -2.50 0.00 0.00 175.30 171.83 2k2d s ILE 74 N 5.45 1.51 -0.64 4.11 -4.36 -1.26 -5.08 121.20 120.93 2k2d s ILE 74 Ca 0.35 -1.29 -0.27 0.00 -0.26 0.00 0.00 60.65 59.17 2k2d s ILE 74 Cb -0.09 -1.83 0.02 0.00 1.25 0.00 0.00 42.46 41.81 2k2d s ILE 74 CO 0.16 -0.17 1.37 -0.44 0.24 0.00 0.00 174.94 176.09 2k2d s SER 75 N 1.39 6.11 -0.04 4.36 0.01 -1.26 -4.99 113.70 119.27 2k2d s SER 75 Ca -0.04 -0.04 -0.01 0.00 1.31 0.00 0.00 55.95 57.18 2k2d s SER 75 Cb -0.19 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.46 2k2d s SER 75 CO -0.08 -1.79 0.05 -0.22 0.41 0.00 0.00 173.24 171.61 2k2d s LEU 76 N 6.05 3.77 -1.38 2.44 2.96 -1.26 -5.03 118.68 126.23 2k2d s LEU 76 Ca 0.45 0.15 -0.11 0.00 -0.22 0.00 0.00 54.13 54.40 2k2d s LEU 76 Cb -0.09 -2.06 0.09 0.00 0.50 0.00 0.00 46.19 44.64 2k2d s LEU 76 CO 0.21 0.32 2.13 0.47 -1.32 0.00 0.00 176.35 178.16 2k2d n ASP 77 N 1.62 4.99 -3.91 3.68 8.00 -1.26 -4.88 116.55 124.80 2k2d n ASP 77 Ca -0.16 -2.96 -0.21 0.00 0.71 0.00 0.00 54.79 52.16 2k2d n ASP 77 Cb 0.53 -1.55 -0.16 0.00 -0.02 0.00 0.00 41.12 39.92 2k2d n ASP 77 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2k2d s GLN 78 N 1.59 0.99 0.00 -1.24 -1.52 -1.26 -5.37 119.66 112.85 2k2d s GLN 78 Ca 0.46 -0.15 0.00 0.00 -1.95 0.00 0.00 55.36 53.72 2k2d s GLN 78 Cb 0.13 -0.98 0.00 0.00 -0.22 0.00 0.00 33.01 31.94 2k2d s GLN 78 CO -0.05 -0.09 0.00 0.94 -0.25 0.00 0.00 175.29 175.85