#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 2.26 -2.07 1.61 2.88 -1.26 -4.71 113.62 112.33 1p4q n SER 2 Ca 0.00 -0.04 -0.12 0.00 -1.33 0.00 0.00 58.87 57.38 1p4q n SER 2 Cb 0.00 -0.38 0.05 0.00 -0.75 0.00 0.00 64.21 63.13 1p4q n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1p4q n GLY 3 N 2.37 4.52 3.58 0.46 0.00 -1.26 -5.08 105.19 109.77 1p4q n GLY 3 Ca -0.37 -1.91 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 1p4q n GLY 3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p4q s SER 4 N -3.52 0.67 0.00 1.61 0.15 -1.26 -4.63 113.70 106.73 1p4q s SER 4 Ca 0.41 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.64 1p4q s SER 4 Cb 0.38 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 1p4q s SER 4 CO -0.01 -4.27 0.00 0.61 1.20 0.00 0.00 173.24 170.77 1p4q n GLY 5 N -0.88 2.37 2.46 9.45 0.00 -1.26 -5.02 105.19 112.31 1p4q n GLY 5 Ca 0.14 -0.73 -0.02 0.00 0.00 0.00 0.00 46.02 45.41 1p4q n GLY 5 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1p4q n SER 6 N 0.49 -5.71 -4.73 1.61 3.41 -1.26 -4.85 113.62 102.58 1p4q n SER 6 Ca 0.00 1.62 -0.42 0.00 -0.26 0.00 0.00 58.87 59.81 1p4q n SER 6 Cb 0.00 -4.92 -0.03 0.00 -0.26 0.00 0.00 64.21 59.01 1p4q n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1p4q s GLY 7 N -0.57 1.92 -0.50 5.00 0.00 -1.26 -4.94 107.32 106.97 1p4q s GLY 7 Ca -0.10 1.31 0.05 0.00 0.00 0.00 0.00 44.72 45.98 1p4q s GLY 7 CO 0.28 2.45 1.03 1.44 0.00 0.00 0.00 173.10 178.30 1p4q n SER 8 N 3.33 4.50 -3.00 1.64 7.64 -1.26 -4.91 113.62 121.55 1p4q n SER 8 Ca 0.11 -3.68 -0.13 0.00 1.01 0.00 0.00 58.87 56.18 1p4q n SER 8 Cb 0.40 -0.51 0.06 0.00 -1.01 0.00 0.00 64.21 63.15 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 -0.35 -5.55 0.00 6.43 4.05 -1.26 -5.02 115.26 113.55 1p4q n ASN 9 Ca 0.35 -0.60 0.00 0.00 0.45 0.00 0.00 54.58 54.78 1p4q n ASN 9 Cb 0.54 -4.52 0.00 0.00 1.23 0.00 0.00 39.78 37.02 1p4q n ASN 9 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 177.26 174.76 1p4q n VAL 10 N -3.05 0.00 0.00 3.44 3.14 -1.26 -5.02 118.33 115.58 1p4q n VAL 10 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 1p4q n VAL 10 Cb 0.61 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.35 1p4q n VAL 10 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1p4q n ILE 11 N 0.00 0.00 -2.37 1.55 3.06 -1.26 -5.02 119.36 115.32 1p4q n ILE 11 Ca 0.00 0.00 -0.08 0.00 -2.50 0.00 0.00 62.75 60.17 1p4q n ILE 11 Cb 0.00 -1.51 0.05 0.00 0.54 0.00 0.00 39.64 38.72 1p4q n ILE 11 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1p4q n ASP 12 N 0.00 2.76 -0.36 9.51 9.92 -1.26 -4.79 116.55 132.33 1p4q n ASP 12 Ca 0.00 -2.85 0.10 0.00 -0.53 0.00 0.00 54.79 51.52 1p4q n ASP 12 Cb 0.00 -0.41 0.45 0.00 -0.64 0.00 0.00 41.12 40.52 1p4q n ASP 12 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1p4q n THR 13 N -0.57 0.13 0.29 -3.53 -2.24 -1.26 -3.90 114.28 103.19 1p4q n THR 13 Ca 0.22 -0.22 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1p4q n THR 13 Cb 0.89 0.15 0.53 0.00 -2.10 0.00 0.00 70.33 69.80 1p4q n THR 13 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1p4q n ASP 14 N -0.07 0.62 0.00 3.42 2.03 -1.26 -2.70 116.55 118.59 1p4q n ASP 14 Ca 0.16 0.71 0.00 0.00 0.52 0.00 0.00 54.79 56.18 1p4q n ASP 14 Cb 0.24 -0.82 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 1p4q n ASP 14 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 1p4q n PHE 15 N -2.25 0.00 -2.35 -0.67 1.16 -1.25 -5.06 117.46 107.04 1p4q n PHE 15 Ca 0.00 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.20 1p4q n PHE 15 Cb 0.14 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 37.99 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 -1.26 3.28 -0.14 1.97 2.07 -1.10 -5.03 121.20 120.99 1p4q s ILE 16 Ca 0.00 1.08 -0.06 0.00 -1.41 0.00 0.00 60.65 60.26 1p4q s ILE 16 Cb 0.00 -3.60 -0.04 0.00 0.13 0.00 0.00 42.46 38.95 1p4q s ILE 16 CO 0.00 0.10 0.06 -0.62 -1.91 0.00 0.00 174.94 172.56 1p4q s ASP 17 N -1.19 5.64 0.26 4.50 2.15 -1.26 -4.95 116.67 121.82 1p4q s ASP 17 Ca 0.56 0.16 0.21 0.00 0.43 0.00 0.00 52.55 53.91 1p4q s ASP 17 Cb -0.29 -1.85 1.00 0.00 -0.30 0.00 0.00 42.92 41.48 1p4q s ASP 17 CO 0.37 0.27 1.63 -0.62 -0.17 0.00 0.00 175.17 176.65 1p4q n GLU 18 N 2.87 0.15 0.00 4.34 1.02 -1.26 -1.78 120.64 125.98 1p4q n GLU 18 Ca -0.18 0.54 -0.13 0.00 -0.02 0.00 0.00 57.16 57.36 1p4q n GLU 18 Cb 0.53 -1.88 -0.14 0.00 -0.02 0.00 0.00 31.44 29.93 1p4q n GLU 18 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1p4q h GLU 19 N 0.00 0.12 0.75 3.49 5.08 -1.99 -3.24 114.58 118.78 1p4q h GLU 19 Ca 0.00 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1p4q h GLU 19 Cb 0.14 0.07 0.01 0.00 0.50 0.00 0.00 28.75 29.48 1p4q h GLU 19 CO 0.00 0.82 -0.36 0.28 -1.00 0.00 0.00 179.01 178.75 1p4q h VAL 20 N 0.03 0.07 -0.12 3.13 2.07 -1.76 -2.68 116.25 117.00 1p4q h VAL 20 Ca -0.31 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.02 1p4q h VAL 20 Cb 2.01 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1p4q h VAL 20 CO 0.10 0.01 0.12 0.17 0.02 0.00 0.00 177.57 177.99 1p4q h LEU 21 N -1.22 0.00 0.37 2.57 8.10 -1.71 -2.09 115.31 121.33 1p4q h LEU 21 Ca -0.10 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.87 1p4q h LEU 21 Cb 0.79 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.01 1p4q h LEU 21 CO 0.17 0.00 -0.18 -0.03 -4.11 0.00 0.00 178.44 174.29 1p4q h MET 22 N 0.00 -0.48 -0.40 0.17 4.05 -1.54 0.84 114.93 117.56 1p4q h MET 22 Ca 0.06 0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.54 1p4q h MET 22 Cb 0.30 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 1p4q h MET 22 CO -0.00 -0.26 0.27 1.03 0.23 0.00 0.00 176.91 178.17 1p4q h SER 23 N -0.60 0.35 0.66 1.39 0.87 -1.06 -0.10 113.55 115.07 1p4q h SER 23 Ca -0.05 -0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.38 1p4q h SER 23 Cb 0.44 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 1p4q h SER 23 CO 0.08 0.24 -0.58 -0.07 -0.53 0.00 0.00 176.83 175.98 1p4q h LEU 24 N 0.41 0.00 -0.37 2.23 3.38 -1.09 -2.54 115.31 117.33 1p4q h LEU 24 Ca 0.17 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1p4q h LEU 24 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1p4q h LEU 24 CO -0.04 0.58 0.02 0.58 0.09 0.00 0.00 178.44 179.67 1p4q h VAL 25 N 0.00 1.25 -0.31 1.22 2.07 0.11 -1.62 116.25 118.97 1p4q h VAL 25 Ca -0.01 -0.94 -0.13 0.00 0.82 0.00 0.00 66.70 66.45 1p4q h VAL 25 Cb 1.06 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1p4q h VAL 25 CO 0.07 0.31 -0.35 0.40 0.02 0.00 0.00 177.57 178.03 1p4q h ILE 26 N 0.46 1.29 -0.55 4.57 5.03 -1.43 0.88 117.51 127.76 1p4q h ILE 26 Ca 0.11 -1.49 -0.07 0.00 -0.12 0.00 0.00 64.86 63.28 1p4q h ILE 26 Cb 0.42 1.42 -0.02 0.00 -3.03 0.00 0.00 36.82 35.62 1p4q h ILE 26 CO 0.01 0.48 0.08 -0.33 -0.68 0.00 0.00 178.15 177.71 1p4q h GLU 27 N 0.57 0.91 0.19 2.37 4.39 -1.32 -3.24 114.58 118.45 1p4q h GLU 27 Ca 0.06 -0.25 -0.32 0.00 0.34 0.00 0.00 59.36 59.18 1p4q h GLU 27 Cb 0.86 -0.10 0.02 0.00 -0.10 0.00 0.00 28.75 29.43 1p4q h GLU 27 CO 0.07 0.89 -1.55 1.98 -1.16 0.00 0.00 179.01 179.24 1p4q h MET 28 N 0.80 0.40 0.00 2.33 4.05 -1.25 -3.49 114.93 117.78 1p4q h MET 28 Ca 0.16 -0.69 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1p4q h MET 28 Cb 0.43 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1p4q h MET 28 CO 0.01 1.33 0.00 0.41 0.23 0.00 0.00 176.91 178.89 1p4q n GLY 29 N 1.79 1.00 0.19 1.39 0.00 0.12 -5.03 105.19 104.65 1p4q n GLY 29 Ca -0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 1.02 -1.89 0.99 4.77 0.26 -4.00 117.00 118.16 1p4q n LEU 30 Ca 0.00 -0.29 -0.06 0.00 -0.03 0.00 0.00 56.01 55.64 1p4q n LEU 30 Cb 0.00 -0.13 0.27 0.00 -2.33 0.00 0.00 43.42 41.24 1p4q n LEU 30 CO 0.00 0.21 0.98 -0.90 -1.33 0.00 0.00 177.39 176.34 1p4q n ASP 31 N -0.89 4.55 -2.66 -1.43 5.75 -1.24 -4.47 116.55 116.16 1p4q n ASP 31 Ca 0.09 -3.09 -0.03 0.00 -0.01 0.00 0.00 54.79 51.76 1p4q n ASP 31 Cb 0.36 -0.73 0.11 0.00 -1.03 0.00 0.00 41.12 39.84 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 -0.10 0.08 -3.31 0.11 3.00 -1.26 -5.09 116.66 110.09 1p4q n ARG 32 Ca 0.37 -0.61 -0.39 0.00 -0.00 0.00 0.00 57.85 57.22 1p4q n ARG 32 Cb 1.29 -0.09 -0.08 0.00 0.00 0.00 0.00 32.46 33.59 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 0.03 5.13 -0.06 5.15 1.01 -1.26 -4.98 121.20 126.22 1p4q s ILE 33 Ca 0.21 0.78 -0.19 0.00 0.00 0.00 0.00 60.65 61.45 1p4q s ILE 33 Cb 0.28 -3.78 -0.14 0.00 0.01 0.00 0.00 42.46 38.83 1p4q s ILE 33 CO -0.19 0.15 0.77 0.50 0.00 0.00 0.00 174.94 176.17 1p4q h LYS 34 N 7.83 -0.21 -4.90 2.79 3.64 -2.00 -3.43 116.57 120.28 1p4q h LYS 34 Ca -0.32 0.01 -0.66 0.00 -1.27 0.00 0.00 60.65 58.42 1p4q h LYS 34 Cb 1.15 0.05 -0.36 0.00 -0.41 0.00 0.00 32.23 32.66 1p4q h LYS 34 CO 0.70 0.20 -0.83 -2.00 -2.27 0.00 0.00 179.45 175.25 1p4q s GLU 35 N -3.18 2.55 -0.47 1.90 2.56 -1.26 -5.09 118.70 115.71 1p4q s GLU 35 Ca -0.12 -1.01 -0.29 0.00 0.00 0.00 0.00 54.97 53.55 1p4q s GLU 35 Cb 0.00 -2.65 0.03 0.00 2.00 0.00 0.00 34.13 33.51 1p4q s GLU 35 CO 0.43 -0.38 1.13 -1.17 -0.56 0.00 0.00 175.26 174.71 1p4q s LEU 36 N 1.24 3.66 1.02 2.70 2.96 -1.26 -5.02 118.68 123.98 1p4q s LEU 36 Ca -0.01 0.49 -0.12 0.00 -0.22 0.00 0.00 54.13 54.28 1p4q s LEU 36 Cb -0.16 -3.54 0.21 0.00 0.50 0.00 0.00 46.19 43.19 1p4q s LEU 36 CO -0.09 -1.23 1.08 -2.16 -1.32 0.00 0.00 176.35 172.63 1p4q s PRO 37 N 4.40 0.18 0.16 0.98 0.04 -1.26 -5.02 135.00 134.49 1p4q s PRO 37 Ca 0.48 1.07 -0.10 0.00 0.04 0.00 0.00 61.00 62.48 1p4q s PRO 37 Cb -0.07 -1.67 -0.07 0.00 0.04 0.00 0.00 34.50 32.74 1p4q s PRO 37 CO 0.31 -3.05 0.48 -1.21 0.04 0.00 0.00 177.00 173.57 1p4q s GLU 38 N -4.63 3.81 -0.41 4.56 2.02 -1.26 -5.07 118.70 117.72 1p4q s GLU 38 Ca 0.67 0.25 0.04 0.00 0.02 0.00 0.00 54.97 55.94 1p4q s GLU 38 Cb -0.23 -2.84 0.11 0.00 0.10 0.00 0.00 34.13 31.28 1p4q s GLU 38 CO 0.61 0.44 0.14 -0.51 0.02 0.00 0.00 175.26 175.96 1p4q s LEU 39 N -2.34 4.63 0.01 1.80 2.01 -1.26 -5.08 118.68 118.45 1p4q s LEU 39 Ca 0.40 -2.48 0.03 0.00 0.01 0.00 0.00 54.13 52.09 1p4q s LEU 39 Cb -0.13 -1.64 -0.01 0.00 0.01 0.00 0.00 46.19 44.41 1p4q s LEU 39 CO 0.20 -0.33 -0.11 0.26 1.01 0.00 0.00 176.35 177.39 1p4q s TRP 40 N 0.45 0.94 -0.94 0.29 0.23 -1.26 -5.05 118.94 113.61 1p4q s TRP 40 Ca 0.13 -0.25 -0.16 0.00 -2.03 0.00 0.00 56.10 53.79 1p4q s TRP 40 Cb -0.22 -0.58 -0.27 0.00 0.03 0.00 0.00 33.47 32.43 1p4q s TRP 40 CO -0.05 -0.01 2.28 1.28 0.96 0.00 0.00 176.95 181.42 1p4q n LEU 41 N 2.41 -0.42 0.00 2.99 4.77 -1.26 -4.74 117.00 120.75 1p4q n LEU 41 Ca -0.16 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 1p4q n LEU 41 Cb 0.56 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1p4q n LEU 41 CO 0.24 -1.61 0.00 0.61 -1.33 0.00 0.00 177.39 175.30 1p4q n GLY 42 N 5.92 -0.08 3.22 -0.72 0.00 -1.26 -5.05 105.19 107.22 1p4q n GLY 42 Ca 0.62 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.37 1p4q n GLY 42 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1p4q n GLN 43 N 0.00 -3.11 -0.80 1.61 -0.06 -1.26 -4.93 117.38 108.82 1p4q n GLN 43 Ca 0.00 -0.91 -0.04 0.00 -2.00 0.00 0.00 57.00 54.05 1p4q n GLN 43 Cb 0.00 -1.80 0.22 0.00 -4.06 0.00 0.00 30.24 24.60 1p4q n GLN 43 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1p4q n ASN 44 N -3.62 3.10 -0.10 1.69 4.13 -1.26 -4.45 115.26 114.75 1p4q n ASN 44 Ca 0.07 -3.56 0.10 0.00 1.68 0.00 0.00 54.58 52.87 1p4q n ASN 44 Cb 0.53 -0.65 -0.10 0.00 -1.54 0.00 0.00 39.78 38.02 1p4q n ASN 44 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1p4q n GLU 45 N -0.93 0.30 -0.87 3.52 -0.58 -1.26 -4.34 120.64 116.48 1p4q n GLU 45 Ca 0.35 -0.20 0.04 0.00 -0.42 0.00 0.00 57.16 56.93 1p4q n GLU 45 Cb 1.12 -1.49 0.07 0.00 -0.57 0.00 0.00 31.44 30.57 1p4q n GLU 45 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1p4q n PHE 46 N -1.20 0.00 0.04 -0.32 3.01 -1.26 -4.83 117.46 112.90 1p4q n PHE 46 Ca 0.05 -0.64 0.03 0.00 1.01 0.00 0.00 57.45 57.90 1p4q n PHE 46 Cb 0.36 -0.14 0.15 0.00 -0.01 0.00 0.00 39.48 39.83 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 -0.21 0.14 0.00 4.37 -0.08 -1.26 -1.89 116.55 117.62 1p4q n ASP 47 Ca 0.08 0.55 0.04 0.00 -1.51 0.00 0.00 54.79 53.96 1p4q n ASP 47 Cb 0.87 -0.57 0.19 0.00 2.34 0.00 0.00 41.12 43.95 1p4q n ASP 47 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1p4q n PHE 48 N -1.69 0.00 1.97 -0.67 -0.00 -1.26 -2.20 117.46 113.61 1p4q n PHE 48 Ca -0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.51 1p4q n PHE 48 Cb 0.03 -0.41 0.40 0.00 -0.00 0.00 0.00 39.48 39.50 1p4q n PHE 48 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.76 175.43 1p4q n MET 49 N -1.41 1.03 0.00 -4.13 0.00 -0.79 -4.62 117.12 107.19 1p4q n MET 49 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1p4q n MET 49 Cb 0.08 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.09 1p4q n MET 49 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1p4q n THR 50 N -0.67 0.00 -1.06 2.03 5.66 -0.93 -5.01 114.28 114.30 1p4q n THR 50 Ca 0.10 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.08 1p4q n THR 50 Cb 0.06 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.83 1p4q n THR 50 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1p4q n ASP 51 N -0.70 -5.00 -0.63 1.09 2.03 -1.20 -5.18 116.55 106.97 1p4q n ASP 51 Ca 0.00 0.05 0.13 0.00 0.52 0.00 0.00 54.79 55.49 1p4q n ASP 51 Cb 0.00 -2.67 0.39 0.00 -0.72 0.00 0.00 41.12 38.12 1p4q n ASP 51 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61