#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1drs s ILE 2 N 0.00 -0.07 0.04 0.55 1.09 -1.26 -0.92 121.20 120.63 1drs s ILE 2 Ca 0.00 0.24 0.01 0.00 -1.10 0.00 0.00 60.65 59.80 1drs s ILE 2 Cb 0.00 -0.09 -0.03 0.00 -1.06 0.00 0.00 42.46 41.28 1drs s ILE 2 CO 0.00 0.10 -0.06 0.00 -0.10 0.00 0.00 174.94 174.88 1drs s TYR 4 N -1.88 2.83 -0.13 0.00 1.51 -1.26 -1.60 117.35 116.82 1drs s TYR 4 Ca -0.08 -0.10 0.15 0.00 -1.01 0.00 0.00 57.07 56.03 1drs s TYR 4 Cb -0.07 -1.50 0.31 0.00 -0.11 0.00 0.00 41.96 40.59 1drs s TYR 4 CO -0.02 0.42 1.16 0.27 -1.11 0.00 0.00 175.55 176.27 1drs n ASN 5 N 0.93 1.80 -2.06 2.29 0.23 -0.89 -1.85 115.26 115.72 1drs n ASN 5 Ca -0.13 -3.18 0.00 0.00 -0.53 0.00 0.00 54.58 50.74 1drs n ASN 5 Cb 0.52 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 1drs n ASN 5 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1drs n HIS 6 N -1.05 0.00 -3.10 -2.53 8.25 -1.21 -4.73 115.22 110.85 1drs n HIS 6 Ca 0.15 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.66 1drs n HIS 6 Cb 0.70 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.79 1drs n HIS 6 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1drs n LEU 7 N 0.00 0.00 0.00 2.41 4.77 -1.26 -4.76 117.00 118.16 1drs n LEU 7 Ca 0.00 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 1drs n LEU 7 Cb 0.00 -1.19 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 1drs n LEU 7 CO 0.00 -1.34 0.00 0.61 -1.33 0.00 0.00 177.39 175.33 1drs n GLY 8 N -1.30 2.17 0.00 -0.72 0.00 -1.26 -4.01 105.19 100.07 1drs n GLY 8 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1drs n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1drs n THR 9 N 0.00 0.00 -1.30 2.61 -1.04 -1.26 -5.10 114.28 108.19 1drs n THR 9 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 1drs n THR 9 Cb 0.00 0.00 0.07 0.00 -1.82 0.00 0.00 70.33 68.58 1drs n THR 9 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1drs n LYS 10 N 0.00 0.37 -0.79 -2.82 4.76 -1.26 -4.91 118.16 113.51 1drs n LYS 10 Ca 0.00 0.17 -0.32 0.00 -2.87 0.00 0.00 58.31 55.28 1drs n LYS 10 Cb 0.00 -1.90 0.14 0.00 -1.84 0.00 0.00 35.03 31.43 1drs n LYS 10 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1drs n PRO 11 N -0.88 -0.30 -2.19 1.97 -0.02 -1.26 -4.34 135.00 127.98 1drs n PRO 11 Ca 0.11 -0.03 -0.38 0.00 -2.02 0.00 0.00 63.50 61.17 1drs n PRO 11 Cb 0.50 -2.09 -0.01 0.00 -0.02 0.00 0.00 33.50 31.88 1drs n PRO 11 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1drs s PRO 12 N -4.00 3.91 -0.11 0.52 0.02 -1.26 -4.84 135.00 129.24 1drs s PRO 12 Ca 0.62 1.94 -0.05 0.00 0.02 0.00 0.00 61.00 63.53 1drs s PRO 12 Cb -0.23 -2.61 0.05 0.00 0.02 0.00 0.00 34.50 31.72 1drs s PRO 12 CO 0.62 -0.47 0.25 0.95 -0.33 0.00 0.00 177.00 178.02 1drs s THR 13 N -1.39 -0.06 0.03 0.99 -4.23 -1.26 -5.01 115.64 104.71 1drs s THR 13 Ca 0.59 0.16 0.03 0.00 -1.18 0.00 0.00 61.69 61.29 1drs s THR 13 Cb -0.33 -0.39 -0.02 0.00 1.34 0.00 0.00 72.50 73.10 1drs s THR 13 CO 0.41 0.06 -0.11 0.42 -0.54 0.00 0.00 174.62 174.87 1drs s THR 14 N 1.34 0.82 -0.59 3.99 -4.23 -1.26 -2.09 115.64 113.63 1drs s THR 14 Ca -0.09 -0.89 -0.08 0.00 -1.18 0.00 0.00 61.69 59.46 1drs s THR 14 Cb -0.10 -0.77 0.15 0.00 1.34 0.00 0.00 72.50 73.11 1drs s THR 14 CO -0.09 -0.09 0.46 -1.61 -0.54 0.00 0.00 174.62 172.75 1drs s GLU 15 N -1.09 2.72 -0.57 3.99 0.41 -0.63 -4.98 118.70 118.56 1drs s GLU 15 Ca -0.02 -2.13 -0.28 0.00 -0.41 0.00 0.00 54.97 52.13 1drs s GLU 15 Cb -0.07 -3.97 0.03 0.00 -1.78 0.00 0.00 34.13 28.34 1drs s GLU 15 CO 0.01 -1.21 1.22 0.99 -0.49 0.00 0.00 175.26 175.78 1drs s THR 16 N 0.70 4.00 0.22 3.63 2.01 -1.26 -2.48 115.64 122.45 1drs s THR 16 Ca 0.11 0.90 0.11 0.00 0.31 0.00 0.00 61.69 63.13 1drs s THR 16 Cb -0.21 -4.67 -0.05 0.00 0.01 0.00 0.00 72.50 67.58 1drs s THR 16 CO -0.03 -1.29 -0.21 0.00 -0.69 0.00 0.00 174.62 172.40 1drs n GLN 18 N -0.01 3.35 -4.44 0.00 -0.00 -1.26 0.24 117.38 115.26 1drs n GLN 18 Ca -0.10 -4.02 -0.25 0.00 -0.00 0.00 0.00 57.00 52.63 1drs n GLN 18 Cb 0.57 -2.28 -0.10 0.00 -0.00 0.00 0.00 30.24 28.43 1drs n GLN 18 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1drs s GLU 19 N -3.66 1.70 0.23 2.61 2.02 -1.26 -4.98 118.70 115.36 1drs s GLU 19 Ca 0.53 -1.68 -0.11 0.00 0.02 0.00 0.00 54.97 53.73 1drs s GLU 19 Cb 0.43 -1.82 0.34 0.00 0.10 0.00 0.00 34.13 33.17 1drs s GLU 19 CO -0.04 0.35 1.62 -0.44 0.02 0.00 0.00 175.26 176.77 1drs h ASP 20 N 2.44 -0.56 -4.32 -0.19 5.19 -1.97 -3.43 116.42 113.58 1drs h ASP 20 Ca -0.42 0.21 -0.40 0.00 -0.62 0.00 0.00 57.03 55.80 1drs h ASP 20 Cb 1.25 0.41 -0.25 0.00 0.18 0.00 0.00 39.33 40.92 1drs h ASP 20 CO 0.58 -0.22 -0.78 -0.44 -3.12 0.00 0.00 179.24 175.26 1drs s SER 21 N -5.22 1.36 -0.01 6.45 0.01 -1.26 -4.60 113.70 110.43 1drs s SER 21 Ca -0.14 -0.40 0.02 0.00 1.31 0.00 0.00 55.95 56.74 1drs s SER 21 Cb 0.21 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1drs s SER 21 CO 0.75 0.01 -0.05 0.00 0.41 0.00 0.00 173.24 174.36 1drs s TYR 23 N 0.14 2.34 -0.22 0.00 1.13 -0.26 -2.37 117.35 118.10 1drs s TYR 23 Ca -0.01 -0.32 -0.10 0.00 -1.41 0.00 0.00 57.07 55.23 1drs s TYR 23 Cb -0.05 -1.02 -0.05 0.00 -1.10 0.00 0.00 41.96 39.74 1drs s TYR 23 CO -0.00 0.71 0.13 0.15 -2.51 0.00 0.00 175.55 174.02 1drs s LYS 24 N -3.53 4.06 -0.13 -3.49 -0.14 0.14 -2.78 119.74 113.87 1drs s LYS 24 Ca 0.30 -0.28 0.02 0.00 -1.36 0.00 0.00 55.97 54.65 1drs s LYS 24 Cb -0.05 -3.43 0.00 0.00 -1.68 0.00 0.00 37.83 32.67 1drs s LYS 24 CO 0.16 0.15 -0.21 1.21 -0.76 0.00 0.00 175.35 175.90 1drs s ASN 25 N 0.77 3.26 0.00 2.83 2.47 -1.26 -2.31 114.94 120.70 1drs s ASN 25 Ca 0.07 -0.56 0.00 0.00 0.42 0.00 0.00 52.86 52.79 1drs s ASN 25 Cb -0.13 -1.47 0.00 0.00 -1.45 0.00 0.00 41.25 38.20 1drs s ASN 25 CO 0.02 0.10 0.00 2.30 -3.72 0.00 0.00 177.10 175.80 1drs n ILE 26 N 3.94 0.00 0.00 -5.21 -0.00 -1.26 -2.14 119.36 114.69 1drs n ILE 26 Ca -0.20 -0.26 0.00 0.00 -0.00 0.00 0.00 62.75 62.30 1drs n ILE 26 Cb 0.52 0.89 0.00 0.00 -0.00 0.00 0.00 39.64 41.05 1drs n ILE 26 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.55 173.88 1drs n TRP 27 N -0.67 0.00 -0.22 4.28 2.14 -1.25 -4.45 117.44 117.27 1drs n TRP 27 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1drs n TRP 27 Cb 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1drs n TRP 27 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1drs n THR 28 N 0.00 -0.37 -0.35 -1.67 5.66 -1.26 -1.72 114.28 114.57 1drs n THR 28 Ca 0.00 0.20 0.03 0.00 -3.05 0.00 0.00 64.05 61.22 1drs n THR 28 Cb 0.00 -0.32 0.17 0.00 -1.55 0.00 0.00 70.33 68.63 1drs n THR 28 CO 0.00 0.00 0.00 2.19 -3.05 0.00 0.00 175.07 174.21 1drs h PHE 29 N -0.02 1.14 -0.00 1.09 -5.15 -2.02 -2.58 116.94 109.41 1drs h PHE 29 Ca -0.01 0.03 0.00 0.00 -0.20 0.00 0.00 57.97 57.80 1drs h PHE 29 Cb 0.15 -0.37 0.00 0.00 0.22 0.00 0.00 35.95 35.95 1drs h PHE 29 CO 0.01 0.57 0.00 -0.40 -2.00 0.00 0.00 178.31 176.49 1drs n ASP 30 N -4.55 0.01 -2.86 -0.68 5.75 -1.26 -4.96 116.55 108.00 1drs n ASP 30 Ca 0.15 -1.41 -0.02 0.00 -0.01 0.00 0.00 54.79 53.51 1drs n ASP 30 Cb 0.20 -0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.30 1drs n ASP 30 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1drs n ASN 31 N -0.79 -6.86 -3.57 -1.12 3.02 -0.97 -4.80 115.26 100.17 1drs n ASN 31 Ca 0.14 -0.13 -0.07 0.00 -0.03 0.00 0.00 54.58 54.49 1drs n ASN 31 Cb 0.07 -4.69 -0.02 0.00 -0.61 0.00 0.00 39.78 34.53 1drs n ASN 31 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1drs s ILE 32 N -3.04 0.00 -0.47 2.41 1.10 -0.70 -4.94 121.20 115.55 1drs s ILE 32 Ca 0.05 -0.21 -0.16 0.00 -0.51 0.00 0.00 60.65 59.82 1drs s ILE 32 Cb -0.01 -1.30 0.06 0.00 0.15 0.00 0.00 42.46 41.37 1drs s ILE 32 CO 0.64 0.00 0.43 -0.63 -2.11 0.00 0.00 174.94 173.27 1drs s ILE 33 N -3.24 5.17 -0.15 2.00 1.01 -1.26 -3.75 121.20 120.98 1drs s ILE 33 Ca 0.07 -0.90 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 1drs s ILE 33 Cb -0.01 -4.13 0.06 0.00 0.01 0.00 0.00 42.46 38.39 1drs s ILE 33 CO -0.06 -0.59 0.14 -0.60 0.00 0.00 0.00 174.94 173.83 1drs s ARG 34 N 1.83 0.07 0.03 2.79 3.52 -0.91 -4.89 118.95 121.40 1drs s ARG 34 Ca 0.06 0.18 -0.01 0.00 -0.13 0.00 0.00 55.73 55.84 1drs s ARG 34 Cb -0.23 -1.19 0.00 0.00 -1.56 0.00 0.00 34.95 31.98 1drs s ARG 34 CO 0.08 -0.55 0.05 2.89 -0.81 0.00 0.00 175.30 176.96 1drs n ARG 35 N 5.30 0.08 -3.04 5.12 -4.01 -0.77 -4.55 116.66 114.78 1drs n ARG 35 Ca -0.06 -0.19 0.00 0.00 -1.04 0.00 0.00 57.85 56.57 1drs n ARG 35 Cb 0.49 0.21 0.00 0.00 -3.04 0.00 0.00 32.46 30.13 1drs n ARG 35 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1drs n GLY 36 N -0.04 -0.82 3.59 2.89 0.00 -1.12 -3.65 105.19 106.03 1drs n GLY 36 Ca -0.00 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 44.93 1drs n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1drs n GLY 38 N 4.74 -1.22 7.00 0.00 0.00 -1.08 -5.00 105.19 109.63 1drs n GLY 38 Ca -0.08 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1drs n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1drs n PHE 40 N 0.00 -2.71 -3.04 0.00 3.72 -1.26 -4.99 117.46 109.17 1drs n PHE 40 Ca 0.00 1.00 -0.40 0.00 -0.05 0.00 0.00 57.45 58.00 1drs n PHE 40 Cb 0.00 -5.03 -0.05 0.00 -0.94 0.00 0.00 39.48 33.47 1drs n PHE 40 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 1drs s THR 41 N -3.33 5.03 0.34 4.37 -4.23 -1.26 -5.09 115.64 111.47 1drs s THR 41 Ca 0.45 1.42 -0.06 0.00 -1.18 0.00 0.00 61.69 62.33 1drs s THR 41 Cb -0.20 -4.03 0.08 0.00 1.34 0.00 0.00 72.50 69.69 1drs s THR 41 CO 0.73 0.21 0.40 -2.65 -0.54 0.00 0.00 174.62 172.77 1drs n PRO 42 N 4.09 -0.92 -2.62 3.99 -0.02 -1.26 -4.90 135.00 133.36 1drs n PRO 42 Ca -0.01 -0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 60.42 1drs n PRO 42 Cb 0.51 -0.47 0.00 0.00 -0.02 0.00 0.00 33.50 33.52 1drs n PRO 42 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1drs n ARG 43 N -2.17 3.26 -2.03 -0.52 0.63 -1.26 -4.96 116.66 109.60 1drs n ARG 43 Ca 0.05 -3.44 -0.28 0.00 -0.92 0.00 0.00 57.85 53.27 1drs n ARG 43 Cb 0.19 -3.28 0.11 0.00 0.45 0.00 0.00 32.46 29.92 1drs n ARG 43 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1drs s GLY 44 N 3.43 1.68 -0.63 5.14 0.00 -1.26 -5.00 107.32 110.68 1drs s GLY 44 Ca 0.49 -0.93 0.01 0.00 0.00 0.00 0.00 44.72 44.28 1drs s GLY 44 CO 0.03 -0.39 1.68 1.22 0.00 0.00 0.00 173.10 175.64 1drs n ASP 45 N -3.29 6.50 -3.97 1.64 9.92 -1.26 -4.97 116.55 121.12 1drs n ASP 45 Ca 0.10 -3.79 -0.09 0.00 -0.53 0.00 0.00 54.79 50.48 1drs n ASP 45 Cb 0.60 -0.79 -0.11 0.00 -0.64 0.00 0.00 41.12 40.18 1drs n ASP 45 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1drs s MET 46 N -3.82 0.36 0.30 -1.24 0.23 -1.26 -5.16 119.30 108.71 1drs s MET 46 Ca 0.54 -0.61 -0.29 0.00 -1.03 0.00 0.00 55.69 54.29 1drs s MET 46 Cb 0.44 0.13 -0.10 0.00 -1.53 0.00 0.00 34.83 33.78 1drs s MET 46 CO -0.20 -0.07 1.18 -2.14 -2.03 0.00 0.00 175.02 171.76 1drs s PRO 47 N -1.61 4.51 0.09 3.16 0.02 -1.26 -5.06 135.00 134.86 1drs s PRO 47 Ca -0.14 1.95 -0.02 0.00 0.02 0.00 0.00 61.00 62.81 1drs s PRO 47 Cb -0.08 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.28 1drs s PRO 47 CO -0.01 0.04 0.04 0.20 -0.33 0.00 0.00 177.00 176.94 1drs s GLY 48 N -0.75 0.66 1.11 0.52 0.00 -1.26 -5.17 107.32 102.43 1drs s GLY 48 Ca 0.47 -1.26 -0.16 0.00 0.00 0.00 0.00 44.72 43.77 1drs s GLY 48 CO 0.45 -1.27 1.11 -4.14 0.00 0.00 0.00 173.10 169.25 1drs s PRO 49 N -3.97 -0.51 -0.25 2.90 0.02 -1.26 -5.05 135.00 126.88 1drs s PRO 49 Ca 0.14 0.13 -0.10 0.00 0.02 0.00 0.00 61.00 61.20 1drs s PRO 49 Cb 0.07 -1.66 -0.04 0.00 0.02 0.00 0.00 34.50 32.89 1drs s PRO 49 CO -0.05 -3.28 0.14 -0.47 -0.33 0.00 0.00 177.00 173.02 1drs s TYR 50 N -3.04 3.22 0.21 6.54 5.04 -0.98 -5.00 117.35 123.35 1drs s TYR 50 Ca 0.69 0.03 0.10 0.00 -2.44 0.00 0.00 57.07 55.45 1drs s TYR 50 Cb -0.13 -2.29 -0.04 0.00 0.35 0.00 0.00 41.96 39.85 1drs s TYR 50 CO 0.56 -0.11 -0.10 0.00 -1.34 0.00 0.00 175.55 174.57 1drs n GLU 53 N -0.12 2.03 -3.92 0.00 0.00 -1.26 -1.74 120.64 115.63 1drs n GLU 53 Ca -0.09 -3.70 -0.10 0.00 0.00 0.00 0.00 57.16 53.28 1drs n GLU 53 Cb 0.62 -1.64 -0.10 0.00 0.00 0.00 0.00 31.44 30.33 1drs n GLU 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1drs s SER 54 N -3.36 0.15 0.08 -1.84 0.15 -1.26 -5.01 113.70 102.61 1drs s SER 54 Ca 0.35 -0.46 -0.31 0.00 0.70 0.00 0.00 55.95 56.23 1drs s SER 54 Cb 0.42 0.21 -0.08 0.00 -1.71 0.00 0.00 66.02 64.86 1drs s SER 54 CO -0.03 -0.46 1.64 -0.62 1.20 0.00 0.00 173.24 174.97 1drs s ASP 55 N -1.89 6.61 0.00 5.45 2.15 -1.26 -3.76 116.67 123.97 1drs s ASP 55 Ca -0.08 2.50 0.00 0.00 0.43 0.00 0.00 52.55 55.40 1drs s ASP 55 Cb -0.03 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 1drs s ASP 55 CO -0.03 -0.87 0.00 0.29 -0.17 0.00 0.00 175.17 174.39 1drs n LYS 56 N 5.36 0.00 -3.27 4.34 4.01 -1.12 -4.61 118.16 122.87 1drs n LYS 56 Ca 0.15 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.80 1drs n LYS 56 Cb 0.40 0.00 0.08 0.00 -0.51 0.00 0.00 35.03 35.00 1drs n LYS 56 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1drs n ASN 58 N -2.91 -6.59 0.00 0.00 5.15 -1.26 -5.11 115.26 104.53 1drs n ASN 58 Ca -0.25 0.66 0.00 0.00 -0.60 0.00 0.00 54.58 54.39 1drs n ASN 58 Cb 0.65 -4.36 0.00 0.00 -0.53 0.00 0.00 39.78 35.54 1drs n ASN 58 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84