#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 4.05 -0.06 1.20 0.00 -1.26 -4.91 119.30 118.32 2k2d s MET 34 Ca 0.00 2.29 -0.17 0.00 0.00 0.00 0.00 55.69 57.81 2k2d s MET 34 Cb 0.00 -4.09 -0.05 0.00 0.00 0.00 0.00 34.83 30.69 2k2d s MET 34 CO 0.00 -1.02 0.47 0.95 0.00 0.00 0.00 175.02 175.42 2k2d s THR 35 N 4.63 5.08 0.17 10.11 -4.23 -1.26 -1.71 115.64 128.42 2k2d s THR 35 Ca 0.81 0.97 0.11 0.00 -1.18 0.00 0.00 61.69 62.40 2k2d s THR 35 Cb -0.36 -3.80 -0.04 0.00 1.34 0.00 0.00 72.50 69.63 2k2d s THR 35 CO 0.35 0.43 -0.24 0.68 -0.54 0.00 0.00 174.62 175.29 2k2d s VAL 36 N -0.07 2.40 -0.21 2.29 -7.23 -0.26 -4.92 120.40 112.39 2k2d s VAL 36 Ca 0.26 -1.91 -0.06 0.00 -1.81 0.00 0.00 61.98 58.47 2k2d s VAL 36 Cb -0.16 -2.12 -0.03 0.00 0.56 0.00 0.00 36.38 34.63 2k2d s VAL 36 CO 0.12 -0.04 0.02 -0.62 -0.31 0.00 0.00 175.10 174.27 2k2d s ASP 37 N -2.47 4.96 -0.09 4.85 2.15 -1.26 -1.16 116.67 123.65 2k2d s ASP 37 Ca 0.19 -0.18 0.03 0.00 0.43 0.00 0.00 52.55 53.02 2k2d s ASP 37 Cb -0.09 -1.86 -0.01 0.00 -0.30 0.00 0.00 42.92 40.66 2k2d s ASP 37 CO 0.09 0.05 -0.19 0.27 -0.17 0.00 0.00 175.17 175.22 2k2d s ILE 38 N 1.08 2.54 -0.16 4.11 -4.36 -0.64 -0.80 121.20 122.96 2k2d s ILE 38 Ca 0.03 -0.87 -0.03 0.00 -0.26 0.00 0.00 60.65 59.51 2k2d s ILE 38 Cb -0.14 -1.99 -0.02 0.00 1.25 0.00 0.00 42.46 41.55 2k2d s ILE 38 CO 0.02 0.56 -0.06 -0.22 0.24 0.00 0.00 174.94 175.48 2k2d s LEU 39 N 0.00 3.06 0.47 0.37 0.20 -0.07 -0.71 118.68 122.01 2k2d s LEU 39 Ca -0.07 -0.23 -0.23 0.00 0.69 0.00 0.00 54.13 54.29 2k2d s LEU 39 Cb -0.15 -1.74 -0.07 0.00 -0.43 0.00 0.00 46.19 43.80 2k2d s LEU 39 CO 0.05 0.13 1.25 0.00 -0.29 0.00 0.00 176.35 177.48 2k2d n ASN 41 N -0.44 4.34 0.04 0.00 3.02 -0.82 -3.80 115.26 117.60 2k2d n ASN 41 Ca 0.07 -2.50 0.00 0.00 -0.03 0.00 0.00 54.58 52.12 2k2d n ASN 41 Cb 0.46 -0.57 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 0.78 0.32 -0.70 6.41 5.68 -1.26 -4.88 116.55 122.90 2k2d n ASP 42 Ca 0.22 0.12 0.12 0.00 -0.50 0.00 0.00 54.79 54.75 2k2d n ASP 42 Cb 0.85 -0.04 0.14 0.00 -1.14 0.00 0.00 41.12 40.93 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 0.61 -5.04 -4.18 0.00 4.05 -1.25 -4.98 115.26 104.47 2k2d n ASN 44 Ca 0.13 -0.00 -0.27 0.00 0.45 0.00 0.00 54.58 54.89 2k2d n ASN 44 Cb 0.51 -4.20 -0.16 0.00 1.23 0.00 0.00 39.78 37.16 2k2d n ASN 44 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 2k2d s GLY 45 N -2.18 0.97 0.10 8.20 0.00 -1.26 -4.89 107.32 108.27 2k2d s GLY 45 Ca 0.07 -0.80 0.01 0.00 0.00 0.00 0.00 44.72 44.00 2k2d s GLY 45 CO 0.09 -0.56 0.23 1.09 0.00 0.00 0.00 173.10 173.95 2k2d s ARG 46 N -0.24 3.39 -0.08 2.90 1.70 -1.26 -1.81 118.95 123.55 2k2d s ARG 46 Ca 0.02 -0.54 -0.02 0.00 -0.47 0.00 0.00 55.73 54.73 2k2d s ARG 46 Cb -0.10 -2.98 0.03 0.00 -0.57 0.00 0.00 34.95 31.34 2k2d s ARG 46 CO 0.01 0.57 0.02 -1.12 -1.08 0.00 0.00 175.30 173.69 2k2d s SER 47 N -2.84 1.66 -0.49 -2.89 0.01 0.12 -4.96 113.70 104.30 2k2d s SER 47 Ca 0.34 -0.14 -0.26 0.00 1.31 0.00 0.00 55.95 57.20 2k2d s SER 47 Cb -0.12 -0.39 0.03 0.00 0.21 0.00 0.00 66.02 65.75 2k2d s SER 47 CO 0.28 -0.22 0.98 -0.89 0.41 0.00 0.00 173.24 173.79 2k2d s THR 48 N 2.01 4.39 0.43 1.44 2.01 -1.26 -1.63 115.64 123.02 2k2d s THR 48 Ca 0.04 0.72 0.05 0.00 0.31 0.00 0.00 61.69 62.82 2k2d s THR 48 Cb -0.13 -4.50 -0.06 0.00 0.01 0.00 0.00 72.50 67.82 2k2d s THR 48 CO -0.05 -0.95 0.01 0.68 -0.69 0.00 0.00 174.62 173.62 2k2d s VAL 49 N 3.98 1.71 0.34 3.82 -7.23 -0.31 -4.93 120.40 117.77 2k2d s VAL 49 Ca 0.38 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.28 2k2d s VAL 49 Cb -0.10 -2.78 -0.09 0.00 0.56 0.00 0.00 36.38 33.97 2k2d s VAL 49 CO 0.26 0.00 1.02 -1.58 -0.31 0.00 0.00 175.10 174.49 2k2d s GLN 50 N -3.76 4.45 -0.18 4.82 0.74 -1.26 -1.10 119.66 123.37 2k2d s GLN 50 Ca 0.28 1.53 -0.29 0.00 0.05 0.00 0.00 55.36 56.93 2k2d s GLN 50 Cb 0.08 -2.83 -0.03 0.00 1.10 0.00 0.00 33.01 31.33 2k2d s GLN 50 CO 0.14 0.12 1.63 0.12 -0.55 0.00 0.00 175.29 176.75 2k2d s PHE 51 N -1.49 2.07 -0.12 1.67 5.36 -0.70 -4.81 117.98 119.96 2k2d s PHE 51 Ca 0.51 0.48 -0.01 0.00 -0.96 0.00 0.00 56.93 56.94 2k2d s PHE 51 Cb -0.24 -3.95 0.04 0.00 -0.34 0.00 0.00 43.02 38.53 2k2d s PHE 51 CO 0.30 -3.15 -0.01 -1.58 -1.46 0.00 0.00 175.22 169.32 2k2d s HIS 52 N 4.95 1.06 0.22 10.12 2.46 -1.26 -4.95 115.29 127.90 2k2d s HIS 52 Ca 0.72 -0.59 -0.08 0.00 0.47 0.00 0.00 55.06 55.59 2k2d s HIS 52 Cb -0.27 -1.01 0.19 0.00 -0.13 0.00 0.00 32.58 31.36 2k2d s HIS 52 CO 0.29 -0.48 1.85 0.82 -2.47 0.00 0.00 174.74 174.75 2k2d h ILE 53 N 6.36 1.25 -0.54 0.89 1.08 -2.04 -2.93 117.51 121.58 2k2d h ILE 53 Ca -0.21 -0.61 -0.35 0.00 -0.39 0.00 0.00 64.86 63.31 2k2d h ILE 53 Cb 1.12 0.09 -0.16 0.00 -3.07 0.00 0.00 36.82 34.80 2k2d h ILE 53 CO 0.33 0.28 0.45 0.18 -0.69 0.00 0.00 178.15 178.69 2k2d n LEU 54 N -4.38 6.21 0.00 1.44 7.99 -1.26 -4.84 117.00 122.17 2k2d n LEU 54 Ca 0.09 -3.22 0.00 0.00 -0.01 0.00 0.00 56.01 52.87 2k2d n LEU 54 Cb 0.09 -0.95 0.00 0.00 -0.11 0.00 0.00 43.42 42.45 2k2d n LEU 54 CO 0.38 1.14 0.00 0.61 -1.51 0.00 0.00 177.39 178.01 2k2d n GLY 55 N 0.04 2.41 3.33 -0.72 0.00 -1.11 -5.07 105.19 104.08 2k2d n GLY 55 Ca 0.34 -0.98 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.22 2.95 -0.11 1.61 -1.94 -1.25 -4.75 119.30 112.59 2k2d s MET 56 Ca 0.00 -0.96 0.03 0.00 -1.71 0.00 0.00 55.69 53.05 2k2d s MET 56 Cb 0.00 -3.43 -0.00 0.00 2.01 0.00 0.00 34.83 33.40 2k2d s MET 56 CO 0.00 -0.52 -0.21 0.21 -0.01 0.00 0.00 175.02 174.48 2k2d s LYS 57 N 1.48 3.13 0.06 2.03 2.20 -1.26 -4.82 119.74 122.55 2k2d s LYS 57 Ca 0.01 -0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 54.49 2k2d s LYS 57 Cb -0.18 -2.38 -0.09 0.00 -1.51 0.00 0.00 37.83 33.68 2k2d s LYS 57 CO 0.03 0.19 1.78 0.00 -0.36 0.00 0.00 175.35 176.99 2k2d n LYS 59 N 6.35 1.51 0.09 0.00 5.02 -1.26 -0.66 118.16 129.20 2k2d n LYS 59 Ca 0.18 -0.75 -0.16 0.00 -2.02 0.00 0.00 58.31 55.56 2k2d n LYS 59 Cb 0.40 -1.43 -0.14 0.00 -0.02 0.00 0.00 35.03 33.84 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 1.67 1.38 0.00 -0.18 2.04 -1.93 -3.41 117.51 117.08 2k2d h ILE 60 Ca 0.00 -2.98 0.00 0.00 1.00 0.00 0.00 64.86 62.88 2k2d h ILE 60 Cb 0.36 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 2k2d h ILE 60 CO 0.00 0.86 0.00 0.00 0.00 0.00 0.00 178.15 179.01 2k2d n GLU 62 N -0.05 -1.11 -3.94 0.00 -0.58 0.16 -5.03 120.64 110.09 2k2d n GLU 62 Ca 0.00 0.52 -0.34 0.00 -0.42 0.00 0.00 57.16 56.92 2k2d n GLU 62 Cb 0.03 -4.60 -0.06 0.00 -0.57 0.00 0.00 31.44 26.24 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 -2.56 6.24 0.08 1.62 0.15 -1.25 -4.91 113.70 113.09 2k2d s SER 63 Ca 0.02 0.35 0.23 0.00 0.70 0.00 0.00 55.95 57.25 2k2d s SER 63 Cb -0.01 -1.95 0.19 0.00 -1.71 0.00 0.00 66.02 62.54 2k2d s SER 63 CO 0.03 0.31 1.17 0.00 1.20 0.00 0.00 173.24 175.94 2k2d n TYR 64 N 1.29 0.41 -2.12 3.44 9.36 -1.26 -2.84 117.16 125.44 2k2d n TYR 64 Ca -0.14 0.12 -0.29 0.00 3.32 0.00 0.00 57.90 60.92 2k2d n TYR 64 Cb 0.53 -0.55 -0.05 0.00 -0.63 0.00 0.00 39.34 38.64 2k2d n TYR 64 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 2k2d s ASN 65 N -4.09 5.32 0.04 2.98 2.47 -1.26 -4.88 114.94 115.52 2k2d s ASN 65 Ca 0.05 -0.86 -0.02 0.00 0.42 0.00 0.00 52.86 52.45 2k2d s ASN 65 Cb 0.14 -2.56 -0.03 0.00 -1.45 0.00 0.00 41.25 37.35 2k2d s ASN 65 CO 0.76 -2.60 0.02 0.42 -3.72 0.00 0.00 177.10 171.98 2k2d s THR 66 N 9.45 0.17 -0.17 -5.21 -4.23 -1.26 -1.94 115.64 112.45 2k2d s THR 66 Ca 0.67 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.79 2k2d s THR 66 Cb -0.05 -1.09 0.02 0.00 1.34 0.00 0.00 72.50 72.72 2k2d s THR 66 CO -0.01 -0.77 -0.17 0.00 -0.54 0.00 0.00 174.62 173.13 2k2d s ALA 67 N -3.07 2.09 -0.46 3.99 0.00 0.48 -4.91 121.76 119.88 2k2d s ALA 67 Ca -0.01 -1.07 -0.27 0.00 0.00 0.00 0.00 51.96 50.61 2k2d s ALA 67 Cb 0.02 -1.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 2k2d s ALA 67 CO -0.07 -0.39 2.09 -1.14 0.00 0.00 0.00 175.76 176.26 2k2d s GLN 68 N 1.39 2.65 0.28 0.00 0.74 -1.26 -0.89 119.66 122.56 2k2d s GLN 68 Ca 0.05 1.26 -0.14 0.00 0.05 0.00 0.00 55.36 56.58 2k2d s GLN 68 Cb -0.13 -4.42 -0.08 0.00 1.10 0.00 0.00 33.01 29.48 2k2d s GLN 68 CO -0.12 -2.67 0.68 0.00 -0.55 0.00 0.00 175.29 172.63 2k2d s ALA 69 N 9.65 3.41 0.00 1.58 0.00 0.02 -4.16 121.76 132.26 2k2d s ALA 69 Ca 0.85 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.77 2k2d s ALA 69 Cb -0.19 -2.67 0.00 0.00 0.00 0.00 0.00 23.12 20.26 2k2d s ALA 69 CO 0.27 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.83 2k2d n GLY 70 N -0.19 1.70 3.46 0.00 0.00 -1.26 -4.40 105.19 104.49 2k2d n GLY 70 Ca 0.02 0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 2k2d n GLY 70 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k2d s GLY 71 N 0.00 2.31 -0.10 -0.02 0.00 -1.26 -4.99 107.32 103.26 2k2d s GLY 71 Ca 0.00 -3.24 -0.30 0.00 0.00 0.00 0.00 44.72 41.18 2k2d s GLY 71 CO 0.00 2.05 1.10 1.09 0.00 0.00 0.00 173.10 177.34 2k2d s ARG 72 N 1.81 4.37 -0.52 2.90 1.70 -1.26 -4.67 118.95 123.28 2k2d s ARG 72 Ca 0.41 1.52 -0.24 0.00 -0.47 0.00 0.00 55.73 56.95 2k2d s ARG 72 Cb -0.03 -3.57 0.04 0.00 -0.57 0.00 0.00 34.95 30.82 2k2d s ARG 72 CO -0.02 -0.41 0.91 0.50 -1.08 0.00 0.00 175.30 175.20 2k2d s ARG 73 N 2.26 3.38 -0.78 3.89 3.00 -1.26 -4.97 118.95 124.47 2k2d s ARG 73 Ca 0.51 -0.15 -0.19 0.00 -1.00 0.00 0.00 55.73 54.90 2k2d s ARG 73 Cb -0.21 -4.01 0.12 0.00 0.00 0.00 0.00 34.95 30.86 2k2d s ARG 73 CO 0.19 -1.37 0.95 0.42 0.00 0.00 0.00 175.30 175.49 2k2d s ILE 74 N 3.79 4.77 -0.18 4.11 1.01 -1.26 -4.77 121.20 128.68 2k2d s ILE 74 Ca 0.32 -1.30 -0.16 0.00 0.00 0.00 0.00 60.65 59.51 2k2d s ILE 74 Cb -0.12 -4.66 -0.07 0.00 0.01 0.00 0.00 42.46 37.63 2k2d s ILE 74 CO 0.21 -1.35 -0.33 -1.20 0.00 0.00 0.00 174.94 172.27 2k2d n SER 75 N 6.43 1.87 -4.01 3.58 7.64 -1.26 -4.91 113.62 122.96 2k2d n SER 75 Ca 0.09 0.32 -0.31 0.00 1.01 0.00 0.00 58.87 59.98 2k2d n SER 75 Cb 0.46 -0.72 -0.15 0.00 -1.01 0.00 0.00 64.21 62.79 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 -7.76 4.60 0.00 -3.43 2.96 -1.26 -4.79 118.68 109.00 2k2d s LEU 76 Ca -0.29 -2.10 0.00 0.00 -0.22 0.00 0.00 54.13 51.52 2k2d s LEU 76 Cb 0.06 -1.59 0.00 0.00 0.50 0.00 0.00 46.19 45.15 2k2d s LEU 76 CO 0.41 -0.37 0.54 -0.67 -1.32 0.00 0.00 176.35 174.94 2k2d n ASP 77 N 4.28 0.00 -4.79 3.68 2.03 -1.26 -5.14 116.55 115.36 2k2d n ASP 77 Ca 0.03 -1.23 -0.26 0.00 0.52 0.00 0.00 54.79 53.86 2k2d n ASP 77 Cb 0.42 -0.05 -0.06 0.00 -0.72 0.00 0.00 41.12 40.72 2k2d n ASP 77 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k2d s GLN 78 N 0.00 2.26 0.00 -0.67 -0.21 -1.26 -5.21 119.66 114.57 2k2d s GLN 78 Ca 0.00 -1.92 0.31 0.00 0.02 0.00 0.00 55.36 53.77 2k2d s GLN 78 Cb 0.00 -1.99 1.63 0.00 1.00 0.00 0.00 33.01 33.64 2k2d s GLN 78 CO 0.00 -0.26 2.07 1.04 -2.12 0.00 0.00 175.29 176.02