#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 1.88 -0.15 -3.83 1.75 -1.26 -5.10 119.30 112.60 2k2d s MET 34 Ca 0.00 -1.63 0.00 0.00 -1.25 0.00 0.00 55.69 52.81 2k2d s MET 34 Cb 0.00 -3.12 -0.01 0.00 2.84 0.00 0.00 34.83 34.55 2k2d s MET 34 CO 0.00 -0.79 -0.15 0.95 -0.65 0.00 0.00 175.02 174.39 2k2d s THR 35 N 1.02 2.77 0.04 10.11 -4.23 -1.26 -2.31 115.64 121.79 2k2d s THR 35 Ca 0.02 -0.74 0.08 0.00 -1.18 0.00 0.00 61.69 59.87 2k2d s THR 35 Cb -0.20 -2.17 -0.03 0.00 1.34 0.00 0.00 72.50 71.45 2k2d s THR 35 CO -0.06 0.52 -0.23 0.68 -0.54 0.00 0.00 174.62 174.99 2k2d s VAL 36 N 0.68 2.42 -0.08 2.29 -7.23 0.04 -4.95 120.40 113.57 2k2d s VAL 36 Ca -0.07 -1.30 -0.16 0.00 -1.81 0.00 0.00 61.98 58.64 2k2d s VAL 36 Cb -0.16 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 2k2d s VAL 36 CO 0.02 0.36 0.42 -0.62 -0.31 0.00 0.00 175.10 174.97 2k2d s ASP 37 N -1.31 6.69 -0.08 4.85 -1.08 -1.26 -1.57 116.67 122.91 2k2d s ASP 37 Ca 0.13 0.82 0.05 0.00 -0.52 0.00 0.00 52.55 53.02 2k2d s ASP 37 Cb -0.10 -2.26 -0.00 0.00 -1.46 0.00 0.00 42.92 39.10 2k2d s ASP 37 CO 0.03 0.13 -0.24 0.27 0.52 0.00 0.00 175.17 175.88 2k2d s ILE 38 N 0.01 2.02 -0.17 4.11 -4.36 -0.87 -0.77 121.20 121.16 2k2d s ILE 38 Ca 0.24 -1.02 -0.03 0.00 -0.26 0.00 0.00 60.65 59.57 2k2d s ILE 38 Cb -0.15 -1.73 -0.02 0.00 1.25 0.00 0.00 42.46 41.80 2k2d s ILE 38 CO 0.10 0.56 -0.04 -0.22 0.24 0.00 0.00 174.94 175.58 2k2d s LEU 39 N 0.10 3.12 0.53 0.37 0.20 -0.13 -1.28 118.68 121.59 2k2d s LEU 39 Ca -0.11 -0.21 -0.21 0.00 0.69 0.00 0.00 54.13 54.29 2k2d s LEU 39 Cb -0.16 -1.76 -0.06 0.00 -0.43 0.00 0.00 46.19 43.79 2k2d s LEU 39 CO 0.06 0.12 1.19 0.00 -0.29 0.00 0.00 176.35 177.43 2k2d n ASN 41 N -1.10 0.58 -0.11 0.00 3.02 -0.80 -3.78 115.26 113.08 2k2d n ASN 41 Ca 0.11 0.17 -0.19 0.00 -0.03 0.00 0.00 54.58 54.64 2k2d n ASN 41 Cb 0.49 0.92 -0.06 0.00 -0.61 0.00 0.00 39.78 40.52 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 -2.46 1.89 -0.55 6.41 5.75 -1.26 -4.67 116.55 121.65 2k2d n ASP 42 Ca -0.01 0.32 0.13 0.00 -0.01 0.00 0.00 54.79 55.22 2k2d n ASP 42 Cb 0.54 -0.75 0.25 0.00 -1.03 0.00 0.00 41.12 40.13 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 0.24 -3.05 -4.06 0.00 4.13 -1.25 -4.99 115.26 106.29 2k2d n ASN 44 Ca 0.14 -0.88 -0.26 0.00 1.68 0.00 0.00 54.58 55.26 2k2d n ASN 44 Cb 0.44 -3.52 -0.17 0.00 -1.54 0.00 0.00 39.78 35.00 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 -3.68 0.90 0.21 7.41 0.00 -1.26 -4.85 107.32 106.05 2k2d s GLY 45 Ca 0.45 -0.53 -0.01 0.00 0.00 0.00 0.00 44.72 44.64 2k2d s GLY 45 CO 0.86 0.05 0.40 1.09 0.00 0.00 0.00 173.10 175.50 2k2d s ARG 46 N 0.63 3.53 -0.04 2.90 1.70 -1.26 -2.21 118.95 124.20 2k2d s ARG 46 Ca -0.15 -0.32 -0.02 0.00 -0.47 0.00 0.00 55.73 54.78 2k2d s ARG 46 Cb -0.16 -2.82 0.03 0.00 -0.57 0.00 0.00 34.95 31.43 2k2d s ARG 46 CO 0.04 0.38 0.05 -1.12 -1.08 0.00 0.00 175.30 173.58 2k2d s SER 47 N -3.18 0.99 -0.50 -2.89 0.01 -0.41 -4.91 113.70 102.81 2k2d s SER 47 Ca 0.39 0.06 -0.29 0.00 1.31 0.00 0.00 55.95 57.43 2k2d s SER 47 Cb -0.11 -0.15 0.03 0.00 0.21 0.00 0.00 66.02 66.00 2k2d s SER 47 CO 0.29 -0.23 1.14 -0.89 0.41 0.00 0.00 173.24 173.96 2k2d s THR 48 N 1.98 4.18 0.33 1.44 2.01 -1.26 -2.06 115.64 122.26 2k2d s THR 48 Ca 0.03 1.10 0.03 0.00 0.31 0.00 0.00 61.69 63.16 2k2d s THR 48 Cb -0.12 -4.63 -0.05 0.00 0.01 0.00 0.00 72.50 67.71 2k2d s THR 48 CO -0.03 -1.09 0.08 0.68 -0.69 0.00 0.00 174.62 173.57 2k2d s VAL 49 N 4.53 1.00 0.27 3.82 -7.23 -0.61 -4.98 120.40 117.21 2k2d s VAL 49 Ca 0.46 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.46 2k2d s VAL 49 Cb -0.07 -2.69 -0.09 0.00 0.56 0.00 0.00 36.38 34.10 2k2d s VAL 49 CO 0.30 0.00 0.73 -1.10 -0.31 0.00 0.00 175.10 174.72 2k2d s GLN 50 N -3.88 4.13 -0.11 4.82 1.11 -1.26 -0.78 119.66 123.68 2k2d s GLN 50 Ca 0.34 0.77 -0.29 0.00 0.01 0.00 0.00 55.36 56.18 2k2d s GLN 50 Cb 0.07 -2.66 -0.05 0.00 -1.01 0.00 0.00 33.01 29.37 2k2d s GLN 50 CO 0.15 0.28 1.72 0.12 0.01 0.00 0.00 175.29 177.56 2k2d s PHE 51 N -1.75 1.88 -0.17 0.91 5.36 -0.98 -4.82 117.98 118.41 2k2d s PHE 51 Ca 0.48 0.27 -0.05 0.00 -0.96 0.00 0.00 56.93 56.68 2k2d s PHE 51 Cb -0.13 -3.97 -0.03 0.00 -0.34 0.00 0.00 43.02 38.54 2k2d s PHE 51 CO 0.19 -3.74 -0.01 -1.58 -1.46 0.00 0.00 175.22 168.62 2k2d s HIS 52 N 4.82 3.05 0.34 10.12 5.65 -1.26 -5.00 115.29 133.01 2k2d s HIS 52 Ca 0.76 -0.31 0.04 0.00 0.25 0.00 0.00 55.06 55.80 2k2d s HIS 52 Cb -0.31 -2.01 0.60 0.00 -1.18 0.00 0.00 32.58 29.68 2k2d s HIS 52 CO 0.31 -0.08 1.89 0.82 -0.65 0.00 0.00 174.74 177.03 2k2d h ILE 53 N 5.19 1.19 -0.24 0.89 5.03 -2.03 -2.26 117.51 125.28 2k2d h ILE 53 Ca -0.33 -0.72 0.00 0.00 -0.12 0.00 0.00 64.86 63.68 2k2d h ILE 53 Cb 1.18 0.86 0.00 0.00 -3.03 0.00 0.00 36.82 35.83 2k2d h ILE 53 CO 0.63 0.26 0.00 0.18 -0.68 0.00 0.00 178.15 178.54 2k2d n LEU 54 N -4.30 1.61 0.00 1.44 7.99 -1.26 -4.96 117.00 117.52 2k2d n LEU 54 Ca 0.02 -0.81 0.00 0.00 -0.01 0.00 0.00 56.01 55.21 2k2d n LEU 54 Cb 0.22 -0.25 0.00 0.00 -0.11 0.00 0.00 43.42 43.28 2k2d n LEU 54 CO 0.39 0.34 0.00 0.61 -1.51 0.00 0.00 177.39 177.22 2k2d n GLY 55 N 0.75 1.95 3.79 -0.72 0.00 -0.85 -5.04 105.19 105.07 2k2d n GLY 55 Ca 0.09 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 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 -5.02 4.36 -0.16 1.61 -1.94 -1.26 -4.73 119.30 112.17 2k2d s MET 56 Ca 0.00 1.32 -0.02 0.00 -1.71 0.00 0.00 55.69 55.27 2k2d s MET 56 Cb 0.00 -2.55 -0.02 0.00 2.01 0.00 0.00 34.83 34.27 2k2d s MET 56 CO 0.00 0.07 -0.07 0.21 -0.01 0.00 0.00 175.02 175.22 2k2d s LYS 57 N -2.50 3.51 0.04 2.03 2.47 -1.26 -4.72 119.74 119.30 2k2d s LYS 57 Ca 0.56 -0.60 -0.30 0.00 -1.56 0.00 0.00 55.97 54.06 2k2d s LYS 57 Cb -0.17 -2.84 -0.08 0.00 -1.46 0.00 0.00 37.83 33.29 2k2d s LYS 57 CO 0.22 0.13 1.64 0.00 0.16 0.00 0.00 175.35 177.50 2k2d n LYS 59 N 5.89 1.88 -0.03 0.00 4.76 -1.26 -1.71 118.16 127.68 2k2d n LYS 59 Ca 0.16 -1.00 -0.05 0.00 -2.87 0.00 0.00 58.31 54.55 2k2d n LYS 59 Cb 0.41 -1.41 -0.03 0.00 -1.84 0.00 0.00 35.03 32.17 2k2d n LYS 59 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2k2d n ILE 60 N 0.25 0.38 -0.22 -0.18 5.41 -1.26 -4.83 119.36 118.91 2k2d n ILE 60 Ca 0.09 -0.13 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2k2d n ILE 60 Cb 0.35 -0.96 0.00 0.00 -0.71 0.00 0.00 39.64 38.32 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 -0.21 -4.44 -4.34 0.00 4.71 -0.69 -5.04 120.64 110.63 2k2d n GLU 62 Ca 0.00 0.82 -0.26 0.00 -0.01 0.00 0.00 57.16 57.71 2k2d n GLU 62 Cb 0.05 -5.73 -0.10 0.00 -1.01 0.00 0.00 31.44 24.65 2k2d n GLU 62 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 2k2d s SER 63 N -3.92 3.96 0.08 1.62 1.04 -1.26 -4.92 113.70 110.31 2k2d s SER 63 Ca 0.21 -0.70 0.24 0.00 0.48 0.00 0.00 55.95 56.18 2k2d s SER 63 Cb -0.03 -0.55 0.37 0.00 0.10 0.00 0.00 66.02 65.91 2k2d s SER 63 CO 0.75 0.10 1.32 0.00 0.98 0.00 0.00 173.24 176.39 2k2d n TYR 64 N 0.03 0.38 -2.26 5.02 9.36 -1.26 -2.88 117.16 125.56 2k2d n TYR 64 Ca -0.11 0.11 -0.34 0.00 3.32 0.00 0.00 57.90 60.89 2k2d n TYR 64 Cb 0.56 -0.54 -0.04 0.00 -0.63 0.00 0.00 39.34 38.70 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 -3.89 5.70 0.01 2.98 2.47 -1.26 -4.85 114.94 116.10 2k2d s ASN 65 Ca 0.07 -1.90 -0.08 0.00 0.42 0.00 0.00 52.86 51.37 2k2d s ASN 65 Cb 0.15 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 2k2d s ASN 65 CO 0.72 -2.36 0.16 0.42 -3.72 0.00 0.00 177.10 172.32 2k2d s THR 66 N 8.46 0.09 0.53 -5.21 -4.23 -1.26 -1.91 115.64 112.11 2k2d s THR 66 Ca 0.63 -0.73 0.05 0.00 -1.18 0.00 0.00 61.69 60.46 2k2d s THR 66 Cb 0.01 -0.56 0.03 0.00 1.34 0.00 0.00 72.50 73.32 2k2d s THR 66 CO 0.10 -0.40 0.37 0.00 -0.54 0.00 0.00 174.62 174.15 2k2d s ALA 67 N -1.65 4.36 -0.03 3.99 0.00 -0.02 -4.90 121.76 123.51 2k2d s ALA 67 Ca -0.13 -1.27 -0.21 0.00 0.00 0.00 0.00 51.96 50.35 2k2d s ALA 67 Cb -0.06 -0.68 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 2k2d s ALA 67 CO 0.01 -0.40 0.61 -1.14 0.00 0.00 0.00 175.76 174.84 2k2d s GLN 68 N -4.23 4.35 -0.79 0.00 0.74 -1.26 -0.95 119.66 117.51 2k2d s GLN 68 Ca 0.33 0.75 -0.26 0.00 0.05 0.00 0.00 55.36 56.23 2k2d s GLN 68 Cb -0.02 -3.37 0.03 0.00 1.10 0.00 0.00 33.01 30.75 2k2d s GLN 68 CO 0.20 0.28 1.37 0.00 -0.55 0.00 0.00 175.29 176.60 2k2d s ALA 69 N 0.09 2.68 -0.17 1.58 0.00 0.05 -4.65 121.76 121.33 2k2d s ALA 69 Ca 0.32 -1.50 0.16 0.00 0.00 0.00 0.00 51.96 50.95 2k2d s ALA 69 Cb -0.18 -4.32 -0.24 0.00 0.00 0.00 0.00 23.12 18.37 2k2d s ALA 69 CO 0.17 -3.43 0.17 0.41 0.00 0.00 0.00 175.76 173.07 2k2d n GLY 70 N 5.74 -0.97 0.00 0.00 0.00 -1.26 -4.73 105.19 103.96 2k2d n GLY 70 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 1.74 0.56 3.24 -0.02 0.00 -1.26 -5.14 105.19 104.31 2k2d n GLY 71 Ca -0.31 0.22 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 1.03 2.35 -1.09 1.61 3.00 -1.26 -5.07 118.95 119.53 2k2d s ARG 72 Ca 0.00 -0.84 -0.16 0.00 0.00 0.00 0.00 55.73 54.73 2k2d s ARG 72 Cb 0.00 -2.01 0.15 0.00 0.00 0.00 0.00 34.95 33.09 2k2d s ARG 72 CO 0.00 0.35 1.31 0.50 0.00 0.00 0.00 175.30 177.46 2k2d s ARG 73 N -0.13 3.87 0.17 3.54 3.00 -1.26 -4.96 118.95 123.18 2k2d s ARG 73 Ca -0.03 -2.21 0.07 0.00 -1.00 0.00 0.00 55.73 52.56 2k2d s ARG 73 Cb -0.13 -5.01 -0.04 0.00 0.00 0.00 0.00 34.95 29.76 2k2d s ARG 73 CO 0.03 -1.78 -0.14 0.96 0.00 0.00 0.00 175.30 174.38 2k2d s ILE 74 N 2.13 1.50 -0.67 4.11 -4.36 -1.26 -5.07 121.20 117.58 2k2d s ILE 74 Ca 0.39 -2.03 0.03 0.00 -0.26 0.00 0.00 60.65 58.77 2k2d s ILE 74 Cb -0.04 -1.86 0.36 0.00 1.25 0.00 0.00 42.46 42.18 2k2d s ILE 74 CO -0.04 -0.57 1.32 -1.20 0.24 0.00 0.00 174.94 174.69 2k2d n SER 75 N -0.07 5.57 -4.46 4.36 7.64 -1.26 -4.99 113.62 120.41 2k2d n SER 75 Ca -0.11 -3.72 -0.43 0.00 1.01 0.00 0.00 58.87 55.62 2k2d n SER 75 Cb 0.59 -0.73 -0.04 0.00 -1.01 0.00 0.00 64.21 63.03 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 -3.75 4.33 -0.50 -3.43 0.20 -1.26 -4.98 118.68 109.28 2k2d s LEU 76 Ca 0.47 -0.91 -0.16 0.00 0.69 0.00 0.00 54.13 54.22 2k2d s LEU 76 Cb 0.32 -2.46 0.09 0.00 -0.43 0.00 0.00 46.19 43.70 2k2d s LEU 76 CO -0.19 -1.43 0.48 -1.81 -0.29 0.00 0.00 176.35 173.11 2k2d s ASP 77 N 3.59 6.17 -0.10 3.68 1.01 -1.26 -4.85 116.67 124.91 2k2d s ASP 77 Ca 0.23 -1.39 -0.10 0.00 0.71 0.00 0.00 52.55 52.01 2k2d s ASP 77 Cb -0.16 -2.22 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 2k2d s ASP 77 CO 0.11 -0.77 -0.20 1.67 0.21 0.00 0.00 175.17 176.18 2k2d n GLN 78 N 5.46 0.32 0.00 8.23 -0.06 -1.26 -5.35 117.38 124.72 2k2d n GLN 78 Ca -0.12 0.13 0.00 0.00 -2.00 0.00 0.00 57.00 55.02 2k2d n GLN 78 Cb 0.43 -1.05 0.00 0.00 -4.06 0.00 0.00 30.24 25.56 2k2d n GLN 78 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90