#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4q n SER 2 N 0.00 -8.27 0.00 1.61 7.64 -1.26 -5.06 113.62 108.28 1p4q n SER 2 Ca 0.00 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.24 1p4q n SER 2 Cb 0.00 -4.99 0.00 0.00 -1.01 0.00 0.00 64.21 58.21 1p4q n SER 2 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1p4q n GLY 3 N -4.38 0.46 5.32 0.23 0.00 -1.26 -4.86 105.19 100.70 1p4q n GLY 3 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1p4q n GLY 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p4q n SER 4 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.72 113.62 112.66 1p4q n SER 4 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1p4q n SER 4 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1p4q n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1p4q n GLY 5 N 0.00 1.59 3.61 5.00 0.00 -1.26 -5.18 105.19 108.96 1p4q n GLY 5 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1p4q n GLY 5 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p4q s SER 6 N 2.00 -0.61 -0.22 1.61 0.15 -1.26 -5.02 113.70 110.35 1p4q s SER 6 Ca 0.00 1.06 -0.03 0.00 0.70 0.00 0.00 55.95 57.68 1p4q s SER 6 Cb 0.00 1.03 0.07 0.00 -1.71 0.00 0.00 66.02 65.41 1p4q s SER 6 CO 0.00 -0.29 0.06 -0.83 1.20 0.00 0.00 173.24 173.38 1p4q s GLY 7 N -0.07 0.71 -0.38 9.45 0.00 -1.26 -5.00 107.32 110.76 1p4q s GLY 7 Ca -0.01 -0.85 0.10 0.00 0.00 0.00 0.00 44.72 43.96 1p4q s GLY 7 CO 0.00 1.54 1.07 1.44 0.00 0.00 0.00 173.10 177.16 1p4q n SER 8 N 5.06 3.61 -3.03 1.64 7.64 -1.26 -4.98 113.62 122.30 1p4q n SER 8 Ca -0.07 -3.35 -0.05 0.00 1.01 0.00 0.00 58.87 56.41 1p4q n SER 8 Cb 0.46 -0.47 0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1p4q n SER 8 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1p4q n ASN 9 N -0.38 -7.67 0.00 6.43 2.85 -1.26 -5.02 115.26 110.21 1p4q n ASN 9 Ca 0.29 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.88 1p4q n ASN 9 Cb 0.74 -5.08 0.00 0.00 1.24 0.00 0.00 39.78 36.68 1p4q n ASN 9 CO 0.00 0.00 0.00 0.55 -2.11 0.00 0.00 177.26 175.70 1p4q n VAL 10 N -1.19 0.00 -3.59 3.44 3.14 -1.26 -5.02 118.33 113.85 1p4q n VAL 10 Ca 0.03 0.00 -0.20 0.00 -2.96 0.00 0.00 64.34 61.21 1p4q n VAL 10 Cb 0.50 -0.01 -0.02 0.00 -1.06 0.00 0.00 33.84 33.25 1p4q n VAL 10 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 1p4q s ILE 11 N 0.01 3.75 -0.76 1.55 1.01 -1.26 -5.02 121.20 120.48 1p4q s ILE 11 Ca 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 60.65 59.46 1p4q s ILE 11 Cb 0.00 -3.28 0.27 0.00 0.01 0.00 0.00 42.46 39.45 1p4q s ILE 11 CO 0.00 -0.15 2.22 0.47 0.00 0.00 0.00 174.94 177.48 1p4q n ASP 12 N -1.54 7.26 -0.12 3.58 8.00 -1.26 -4.08 116.55 128.39 1p4q n ASP 12 Ca -0.00 -3.65 0.00 0.00 0.71 0.00 0.00 54.79 51.85 1p4q n ASP 12 Cb 0.59 -1.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1p4q n ASP 12 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1p4q n THR 13 N -0.10 0.00 0.99 -3.53 5.66 -1.26 -4.81 114.28 111.23 1p4q n THR 13 Ca 0.52 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.64 1p4q n THR 13 Cb 0.32 0.77 0.57 0.00 -1.55 0.00 0.00 70.33 70.44 1p4q n THR 13 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1p4q n ASP 14 N 0.00 0.00 -0.06 1.09 8.00 -1.26 -2.67 116.55 121.65 1p4q n ASP 14 Ca 0.00 0.24 -0.01 0.00 0.71 0.00 0.00 54.79 55.73 1p4q n ASP 14 Cb 0.54 -0.40 -0.15 0.00 -0.02 0.00 0.00 41.12 41.09 1p4q n ASP 14 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1p4q n PHE 15 N -1.40 0.00 -1.82 1.24 1.16 -1.26 -4.98 117.46 110.39 1p4q n PHE 15 Ca 0.09 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.34 1p4q n PHE 15 Cb 0.24 -0.71 0.04 0.00 -1.61 0.00 0.00 39.48 37.44 1p4q n PHE 15 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 1p4q s ILE 16 N -2.80 3.47 -0.10 1.97 2.07 -1.09 -5.03 121.20 119.70 1p4q s ILE 16 Ca -0.08 0.67 -0.14 0.00 -1.41 0.00 0.00 60.65 59.69 1p4q s ILE 16 Cb 0.08 -3.20 -0.05 0.00 0.13 0.00 0.00 42.46 39.42 1p4q s ILE 16 CO 0.76 -0.44 0.34 -0.62 -1.91 0.00 0.00 174.94 173.07 1p4q s ASP 17 N -2.74 6.59 0.48 4.50 -1.08 -1.26 -4.95 116.67 118.21 1p4q s ASP 17 Ca 0.65 0.69 0.27 0.00 -0.52 0.00 0.00 52.55 53.64 1p4q s ASP 17 Cb -0.19 -2.20 1.46 0.00 -1.46 0.00 0.00 42.92 40.53 1p4q s ASP 17 CO 0.41 0.20 1.80 1.05 0.52 0.00 0.00 175.17 179.15 1p4q h GLU 18 N 5.82 0.00 0.06 4.34 4.11 -1.95 0.66 114.58 127.62 1p4q h GLU 18 Ca -0.46 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 58.67 1p4q h GLU 18 Cb 1.19 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1p4q h GLU 18 CO 0.69 0.00 -1.62 0.93 0.07 0.00 0.00 179.01 179.08 1p4q h GLU 19 N 0.00 0.13 0.69 1.06 5.08 -1.98 -3.12 114.58 116.44 1p4q h GLU 19 Ca 0.00 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1p4q h GLU 19 Cb 0.30 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1p4q h GLU 19 CO 0.00 0.89 -0.39 0.28 -1.00 0.00 0.00 179.01 178.78 1p4q h VAL 20 N 0.04 0.20 0.00 3.13 2.07 -1.26 0.05 116.25 120.47 1p4q h VAL 20 Ca -0.26 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1p4q h VAL 20 Cb 1.99 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1p4q h VAL 20 CO 0.12 0.00 -0.12 0.17 0.02 0.00 0.00 177.57 177.76 1p4q h LEU 21 N -1.01 0.00 0.02 2.57 8.10 -1.70 -2.52 115.31 120.76 1p4q h LEU 21 Ca -0.09 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.90 1p4q h LEU 21 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.03 1p4q h LEU 21 CO 0.11 0.12 -0.01 -0.03 -4.11 0.00 0.00 178.44 174.52 1p4q h MET 22 N 0.00 -0.02 -0.93 0.17 4.05 -1.33 0.21 114.93 117.08 1p4q h MET 22 Ca -0.00 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.50 1p4q h MET 22 Cb 0.28 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.02 1p4q h MET 22 CO 0.02 0.23 0.60 1.03 0.23 0.00 0.00 176.91 179.02 1p4q h SER 23 N -0.27 0.91 0.56 1.39 0.87 -0.58 0.86 113.55 117.28 1p4q h SER 23 Ca -0.00 0.02 -0.10 0.00 -1.23 0.00 0.00 61.79 60.48 1p4q h SER 23 Cb 0.26 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1p4q h SER 23 CO 0.00 0.55 -0.47 -0.07 -0.53 0.00 0.00 176.83 176.31 1p4q h LEU 24 N 1.01 0.00 0.05 2.23 3.38 -1.24 -2.50 115.31 118.24 1p4q h LEU 24 Ca 0.42 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.39 1p4q h LEU 24 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1p4q h LEU 24 CO -0.18 0.47 -0.03 0.58 0.09 0.00 0.00 178.44 179.38 1p4q h VAL 25 N 0.00 1.16 -0.54 1.22 2.07 0.13 -0.64 116.25 119.65 1p4q h VAL 25 Ca -0.00 -0.74 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1p4q h VAL 25 Cb 0.88 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 1p4q h VAL 25 CO 0.06 0.18 0.26 0.40 0.02 0.00 0.00 177.57 178.49 1p4q h ILE 26 N -0.40 1.18 -0.14 4.57 5.03 -1.30 0.91 117.51 127.36 1p4q h ILE 26 Ca -0.01 -0.52 -0.12 0.00 -0.12 0.00 0.00 64.86 64.10 1p4q h ILE 26 Cb 0.36 0.49 -0.01 0.00 -3.03 0.00 0.00 36.82 34.63 1p4q h ILE 26 CO 0.01 0.21 -0.42 -0.33 -0.68 0.00 0.00 178.15 176.94 1p4q h GLU 27 N 0.76 0.34 0.15 2.37 4.39 -1.32 -3.24 114.58 118.02 1p4q h GLU 27 Ca 0.19 -0.17 -0.33 0.00 0.34 0.00 0.00 59.36 59.39 1p4q h GLU 27 Cb 0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1p4q h GLU 27 CO -0.03 0.70 -1.72 1.98 -1.16 0.00 0.00 179.01 178.79 1p4q h MET 28 N 0.28 0.31 0.00 2.33 4.05 -0.39 -3.49 114.93 118.02 1p4q h MET 28 Ca 0.02 -0.54 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 1p4q h MET 28 Cb 0.87 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.86 1p4q h MET 28 CO 0.07 1.26 0.00 0.41 0.23 0.00 0.00 176.91 178.88 1p4q n GLY 29 N 1.86 0.99 1.35 1.39 0.00 0.30 -5.03 105.19 106.04 1p4q n GLY 29 Ca -0.27 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.85 1p4q n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1p4q n LEU 30 N 0.00 3.95 -0.64 0.99 4.77 0.05 -4.11 117.00 122.02 1p4q n LEU 30 Ca 0.00 -1.98 0.07 0.00 -0.03 0.00 0.00 56.01 54.07 1p4q n LEU 30 Cb 0.00 -0.50 0.19 0.00 -2.33 0.00 0.00 43.42 40.78 1p4q n LEU 30 CO 0.00 0.83 0.65 -0.90 -1.33 0.00 0.00 177.39 176.64 1p4q n ASP 31 N 1.27 3.24 -2.66 -1.43 5.75 -1.26 -4.77 116.55 116.69 1p4q n ASP 31 Ca 0.23 -2.64 -0.04 0.00 -0.01 0.00 0.00 54.79 52.33 1p4q n ASP 31 Cb 0.68 -0.39 0.09 0.00 -1.03 0.00 0.00 41.12 40.47 1p4q n ASP 31 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1p4q n ARG 32 N -0.32 0.07 -3.02 0.11 3.00 -1.26 -5.13 116.66 110.11 1p4q n ARG 32 Ca 0.16 -0.61 -0.41 0.00 -0.00 0.00 0.00 57.85 56.99 1p4q n ARG 32 Cb 0.67 -0.12 -0.05 0.00 0.00 0.00 0.00 32.46 32.96 1p4q n ARG 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 1p4q s ILE 33 N 0.05 4.96 0.12 5.15 1.01 -1.26 -4.96 121.20 126.27 1p4q s ILE 33 Ca 0.25 1.37 -0.16 0.00 0.00 0.00 0.00 60.65 62.10 1p4q s ILE 33 Cb 0.22 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 1p4q s ILE 33 CO -0.10 0.07 1.61 0.11 0.00 0.00 0.00 174.94 176.64 1p4q h LYS 34 N 7.42 0.57 -3.39 2.79 1.57 -2.01 -3.42 116.57 120.11 1p4q h LYS 34 Ca -0.30 -0.14 -0.36 0.00 -1.87 0.00 0.00 60.65 57.97 1p4q h LYS 34 Cb 1.14 -0.07 -0.38 0.00 0.08 0.00 0.00 32.23 32.99 1p4q h LYS 34 CO 0.80 0.62 -0.74 -1.21 -0.57 0.00 0.00 179.45 178.35 1p4q s GLU 35 N -5.28 -0.00 -0.42 3.15 2.02 -1.26 -5.12 118.70 111.79 1p4q s GLU 35 Ca -0.13 0.32 -0.28 0.00 0.02 0.00 0.00 54.97 54.90 1p4q s GLU 35 Cb 0.09 -0.51 0.02 0.00 0.10 0.00 0.00 34.13 33.84 1p4q s GLU 35 CO 0.76 -0.30 1.04 -1.17 0.02 0.00 0.00 175.26 175.62 1p4q s LEU 36 N 1.94 3.83 0.90 1.80 2.96 -1.26 -5.03 118.68 123.82 1p4q s LEU 36 Ca 0.02 0.53 -0.12 0.00 -0.22 0.00 0.00 54.13 54.35 1p4q s LEU 36 Cb -0.12 -3.42 0.13 0.00 0.50 0.00 0.00 46.19 43.27 1p4q s LEU 36 CO -0.03 -1.07 1.09 -2.16 -1.32 0.00 0.00 176.35 172.87 1p4q s PRO 37 N 3.98 1.26 0.25 0.98 0.04 -1.26 -5.02 135.00 135.23 1p4q s PRO 37 Ca 0.43 0.81 -0.23 0.00 0.04 0.00 0.00 61.00 62.06 1p4q s PRO 37 Cb -0.10 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 1p4q s PRO 37 CO 0.25 -2.24 0.81 -1.21 0.04 0.00 0.00 177.00 174.66 1p4q s GLU 38 N -4.94 4.43 -0.39 4.56 8.01 -1.26 -5.05 118.70 124.06 1p4q s GLU 38 Ca 0.63 1.08 0.04 0.00 0.01 0.00 0.00 54.97 56.73 1p4q s GLU 38 Cb -0.18 -2.91 0.11 0.00 -4.31 0.00 0.00 34.13 26.83 1p4q s GLU 38 CO 0.57 0.38 0.11 -1.17 0.01 0.00 0.00 175.26 175.16 1p4q s LEU 39 N -1.87 4.70 0.12 1.80 1.98 -1.26 -5.09 118.68 119.07 1p4q s LEU 39 Ca 0.44 -2.35 0.04 0.00 -2.89 0.00 0.00 54.13 49.37 1p4q s LEU 39 Cb -0.18 -1.64 -0.04 0.00 0.66 0.00 0.00 46.19 44.98 1p4q s LEU 39 CO 0.23 -0.35 -0.10 0.26 -1.89 0.00 0.00 176.35 174.50 1p4q s TRP 40 N 0.63 1.15 -0.68 5.38 0.23 -1.26 -5.04 118.94 119.35 1p4q s TRP 40 Ca 0.12 -0.74 -0.24 0.00 -2.03 0.00 0.00 56.10 53.22 1p4q s TRP 40 Cb -0.21 -0.61 -0.19 0.00 0.03 0.00 0.00 33.47 32.49 1p4q s TRP 40 CO -0.06 0.03 1.88 1.28 0.96 0.00 0.00 176.95 181.03 1p4q n LEU 41 N 0.10 3.51 0.00 2.99 4.77 -1.26 -4.79 117.00 122.33 1p4q n LEU 41 Ca -0.13 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.16 1p4q n LEU 41 Cb 0.60 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.62 1p4q n LEU 41 CO 0.30 -0.75 0.00 0.61 -1.33 0.00 0.00 177.39 176.22 1p4q n GLY 42 N 4.70 -0.55 3.23 -0.72 0.00 -1.26 -4.90 105.19 105.69 1p4q n GLY 42 Ca 0.49 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.17 1p4q n GLY 42 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1p4q n GLN 43 N 0.00 -1.13 -0.40 1.61 1.13 -1.26 -4.89 117.38 112.43 1p4q n GLN 43 Ca 0.00 -0.31 0.10 0.00 -1.94 0.00 0.00 57.00 54.85 1p4q n GLN 43 Cb 0.00 -1.57 0.30 0.00 0.11 0.00 0.00 30.24 29.08 1p4q n GLN 43 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1p4q n ASN 44 N -0.56 3.80 -0.04 1.08 6.94 -1.26 -4.19 115.26 121.04 1p4q n ASN 44 Ca 0.01 -2.11 0.15 0.00 -0.02 0.00 0.00 54.58 52.60 1p4q n ASN 44 Cb 0.64 -0.48 0.80 0.00 -2.36 0.00 0.00 39.78 38.38 1p4q n ASN 44 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1p4q n GLU 45 N 1.33 0.73 -0.92 -3.83 1.02 -1.26 -3.30 120.64 114.41 1p4q n GLU 45 Ca 0.23 -0.07 0.05 0.00 -0.02 0.00 0.00 57.16 57.34 1p4q n GLU 45 Cb 0.64 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.64 1p4q n GLU 45 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1p4q n PHE 46 N -1.07 0.00 0.00 -0.32 3.01 -1.26 -4.83 117.46 112.99 1p4q n PHE 46 Ca 0.18 -0.75 0.00 0.00 1.01 0.00 0.00 57.45 57.89 1p4q n PHE 46 Cb 0.20 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 1p4q n PHE 46 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1p4q n ASP 47 N -0.25 0.00 0.00 4.37 2.03 -1.21 -2.12 116.55 119.37 1p4q n ASP 47 Ca 0.10 0.43 0.03 0.00 0.52 0.00 0.00 54.79 55.86 1p4q n ASP 47 Cb 0.89 -0.43 0.13 0.00 -0.72 0.00 0.00 41.12 40.99 1p4q n ASP 47 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1p4q n PHE 48 N -1.42 0.00 1.98 -0.67 3.72 -1.26 -2.02 117.46 117.78 1p4q n PHE 48 Ca 0.00 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.43 1p4q n PHE 48 Cb 0.01 -0.41 0.16 0.00 -0.94 0.00 0.00 39.48 38.30 1p4q n PHE 48 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 1p4q n MET 49 N -1.41 0.99 0.03 -1.08 2.81 -0.90 -3.98 117.12 113.58 1p4q n MET 49 Ca 0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1p4q n MET 49 Cb 0.06 -1.08 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1p4q n MET 49 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1p4q n THR 50 N -0.58 0.72 -1.10 2.03 -2.24 -0.86 -5.00 114.28 107.24 1p4q n THR 50 Ca 0.04 0.24 -0.04 0.00 -2.27 0.00 0.00 64.05 62.02 1p4q n THR 50 Cb 0.02 -1.51 -0.02 0.00 -2.10 0.00 0.00 70.33 66.72 1p4q n THR 50 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1p4q n ASP 51 N -3.29 -5.29 -0.24 3.42 2.03 -1.25 -5.22 116.55 106.70 1p4q n ASP 51 Ca 0.00 0.09 0.03 0.00 0.52 0.00 0.00 54.79 55.43 1p4q n ASP 51 Cb 0.19 -3.10 0.03 0.00 -0.72 0.00 0.00 41.12 37.52 1p4q n ASP 51 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61