#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 0.20 0.00 1.61 7.64 -1.26 -5.15 113.62 116.66 1p4q n SER 2 Ca 0.00 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.99 1p4q n SER 2 Cb 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 2.64 -1.36 3.78 0.23 0.00 -1.26 -5.14 105.19 104.08 1p4q n GLY 3 Ca 0.00 0.52 -0.31 0.00 0.00 0.00 0.00 46.02 46.23 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 -4.00 4.59 0.00 1.61 0.15 -1.26 -4.97 113.70 109.82 1p4q s SER 4 Ca 0.00 1.68 0.00 0.00 0.70 0.00 0.00 55.95 58.33 1p4q s SER 4 Cb 0.00 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1p4q s SER 4 CO 0.00 -1.96 0.00 0.61 1.20 0.00 0.00 173.24 173.09 1p4q n GLY 5 N -1.48 -0.41 3.15 9.45 0.00 -1.26 -5.12 105.19 109.52 1p4q n GLY 5 Ca 0.08 0.34 0.04 0.00 0.00 0.00 0.00 46.02 46.49 1p4q n GLY 5 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1p4q s SER 6 N -4.00 -1.36 0.00 1.61 0.01 -1.26 -5.01 113.70 103.69 1p4q s SER 6 Ca 0.00 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.56 1p4q s SER 6 Cb 0.00 1.92 0.00 0.00 0.21 0.00 0.00 66.02 68.15 1p4q s SER 6 CO 0.00 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1p4q n GLY 7 N 5.38 1.90 2.62 3.44 0.00 -1.26 -4.93 105.19 112.35 1p4q n GLY 7 Ca 0.04 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.39 1p4q n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1p4q n SER 8 N 3.38 -4.65 -2.83 1.61 2.88 -1.26 -4.66 113.62 108.10 1p4q n SER 8 Ca 0.00 1.36 -0.06 0.00 -1.33 0.00 0.00 58.87 58.84 1p4q n SER 8 Cb 0.00 -5.18 0.01 0.00 -0.75 0.00 0.00 64.21 58.29 1p4q n SER 8 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1p4q n ASN 9 N 1.09 -7.62 0.00 -3.46 3.02 -1.26 -5.04 115.26 101.99 1p4q n ASN 9 Ca -0.18 0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 1p4q n ASN 9 Cb 0.27 -5.16 0.00 0.00 -0.61 0.00 0.00 39.78 34.29 1p4q n ASN 9 CO 0.00 0.00 0.00 0.55 -2.62 0.00 0.00 177.26 175.19 1p4q n VAL 10 N -0.64 0.00 -0.26 2.41 3.14 -1.26 -5.05 118.33 116.66 1p4q n VAL 10 Ca 0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 1p4q n VAL 10 Cb 0.45 -0.11 0.00 0.00 -1.06 0.00 0.00 33.84 33.12 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 -1.96 1.55 3.06 -1.26 -5.01 119.36 115.74 1p4q n ILE 11 Ca 0.00 0.00 -0.13 0.00 -2.50 0.00 0.00 62.75 60.12 1p4q n ILE 11 Cb 0.00 -1.51 0.08 0.00 0.54 0.00 0.00 39.64 38.75 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 3.70 -0.26 9.51 9.92 -1.26 -4.72 116.55 133.44 1p4q n ASP 12 Ca 0.00 -3.65 0.10 0.00 -0.53 0.00 0.00 54.79 50.72 1p4q n ASP 12 Cb 0.00 -0.40 0.50 0.00 -0.64 0.00 0.00 41.12 40.58 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 -0.79 0.09 0.29 -3.53 -2.24 -1.26 -3.90 114.28 102.94 1p4q n THR 13 Ca 0.34 -0.16 0.19 0.00 -2.27 0.00 0.00 64.05 62.14 1p4q n THR 13 Cb 0.88 0.02 0.95 0.00 -2.10 0.00 0.00 70.33 70.09 1p4q n THR 13 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1p4q h ASP 14 N 1.07 0.00 0.00 3.42 5.19 -2.02 -2.65 116.42 121.44 1p4q h ASP 14 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1p4q h ASP 14 Cb 0.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1p4q h ASP 14 CO 0.00 0.00 -0.60 2.22 -3.12 0.00 0.00 179.24 177.74 1p4q n PHE 15 N -2.83 0.00 -2.37 4.55 1.16 -1.25 -5.05 117.46 111.66 1p4q n PHE 15 Ca -0.02 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.21 1p4q n PHE 15 Cb 0.11 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 37.96 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 -1.54 3.39 -0.07 1.97 2.07 -1.00 -5.04 121.20 120.97 1p4q s ILE 16 Ca 0.00 0.93 -0.03 0.00 -1.41 0.00 0.00 60.65 60.13 1p4q s ILE 16 Cb 0.00 -3.41 -0.04 0.00 0.13 0.00 0.00 42.46 39.14 1p4q s ILE 16 CO 0.00 -0.12 0.08 -0.62 -1.91 0.00 0.00 174.94 172.37 1p4q s ASP 17 N -1.70 5.81 0.12 4.50 2.15 -1.26 -4.95 116.67 121.33 1p4q s ASP 17 Ca 0.67 0.27 0.12 0.00 0.43 0.00 0.00 52.55 54.04 1p4q s ASP 17 Cb -0.23 -1.75 0.57 0.00 -0.30 0.00 0.00 42.92 41.22 1p4q s ASP 17 CO 0.27 0.36 1.37 -1.84 -0.17 0.00 0.00 175.17 175.16 1p4q n GLU 18 N 1.78 0.06 0.05 4.34 0.28 -1.26 -1.36 120.64 124.54 1p4q n GLU 18 Ca -0.17 0.46 0.02 0.00 -0.16 0.00 0.00 57.16 57.31 1p4q n GLU 18 Cb 0.54 -1.67 -0.07 0.00 1.43 0.00 0.00 31.44 31.68 1p4q n GLU 18 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1p4q n GLU 19 N -1.79 0.62 -0.06 3.44 -0.58 -1.26 -4.03 120.64 116.97 1p4q n GLU 19 Ca 0.01 0.20 -0.08 0.00 -0.42 0.00 0.00 57.16 56.87 1p4q n GLU 19 Cb 0.08 -1.81 -0.01 0.00 -0.57 0.00 0.00 31.44 29.13 1p4q n GLU 19 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1p4q h VAL 20 N 0.00 0.89 0.23 2.62 2.07 -1.63 -1.69 116.25 118.74 1p4q h VAL 20 Ca -0.13 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1p4q h VAL 20 Cb 1.46 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1p4q h VAL 20 CO 0.04 0.03 -0.21 -0.07 0.02 0.00 0.00 177.57 177.38 1p4q h LEU 21 N 0.16 -0.55 -0.69 2.57 -0.00 -1.72 -2.32 115.31 112.75 1p4q h LEU 21 Ca 0.11 0.05 0.13 0.00 -0.00 0.00 0.00 57.88 58.17 1p4q h LEU 21 Cb 0.11 0.19 -0.13 0.00 -0.00 0.00 0.00 40.66 40.83 1p4q h LEU 21 CO -0.14 -0.31 -0.26 -0.03 -0.00 0.00 0.00 178.44 177.69 1p4q h MET 22 N -0.46 -0.07 -0.90 1.13 4.05 -1.62 0.76 114.93 117.82 1p4q h MET 22 Ca -0.01 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.49 1p4q h MET 22 Cb 0.42 0.02 -0.06 0.00 -0.80 0.00 0.00 31.60 31.18 1p4q h MET 22 CO -0.04 -0.05 0.58 0.77 0.23 0.00 0.00 176.91 178.41 1p4q h SER 23 N -0.07 0.89 1.46 1.39 0.02 -1.04 -0.20 113.55 116.00 1p4q h SER 23 Ca 0.30 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.19 1p4q h SER 23 Cb 0.55 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 1p4q h SER 23 CO -0.74 0.57 -0.31 -0.07 -1.14 0.00 0.00 176.83 175.13 1p4q h LEU 24 N 1.01 0.00 -0.06 5.07 3.38 0.18 -1.17 115.31 123.72 1p4q h LEU 24 Ca 0.39 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.27 1p4q h LEU 24 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1p4q h LEU 24 CO -0.15 0.31 -0.29 0.58 0.09 0.00 0.00 178.44 178.98 1p4q h VAL 25 N 0.00 1.44 -0.01 1.22 2.07 0.20 -2.05 116.25 119.12 1p4q h VAL 25 Ca -0.00 -1.74 -0.22 0.00 0.82 0.00 0.00 66.70 65.56 1p4q h VAL 25 Cb 1.13 2.39 0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1p4q h VAL 25 CO 0.04 0.49 -0.91 0.40 0.02 0.00 0.00 177.57 177.62 1p4q h ILE 26 N -0.22 1.40 -0.33 4.57 5.03 -1.22 1.13 117.51 127.86 1p4q h ILE 26 Ca -0.02 -2.41 -0.03 0.00 -0.12 0.00 0.00 64.86 62.29 1p4q h ILE 26 Cb 0.96 2.37 -0.01 0.00 -3.03 0.00 0.00 36.82 37.10 1p4q h ILE 26 CO 0.06 0.72 0.10 -0.08 -0.68 0.00 0.00 178.15 178.27 1p4q h GLU 27 N 0.24 0.51 0.13 2.37 4.81 -1.27 -3.30 114.58 118.06 1p4q h GLU 27 Ca -0.07 -0.11 -0.34 0.00 -0.13 0.00 0.00 59.36 58.71 1p4q h GLU 27 Cb 1.53 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.83 1p4q h GLU 27 CO 0.16 0.55 -1.83 1.98 -0.73 0.00 0.00 179.01 179.14 1p4q h MET 28 N 0.38 0.27 0.00 1.92 4.05 -1.44 -3.49 114.93 116.63 1p4q h MET 28 Ca 0.11 -0.47 0.00 0.00 -0.28 0.00 0.00 59.70 59.06 1p4q h MET 28 Cb 0.25 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1p4q h MET 28 CO -0.00 1.22 0.00 0.41 0.23 0.00 0.00 176.91 178.77 1p4q n GLY 29 N 1.90 1.11 0.00 1.39 0.00 0.11 -5.02 105.19 104.68 1p4q n GLY 29 Ca -0.30 0.00 0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 -1.56 0.99 4.77 0.35 -3.30 117.00 118.25 1p4q n LEU 30 Ca 0.00 0.26 0.05 0.00 -0.03 0.00 0.00 56.01 56.30 1p4q n LEU 30 Cb 0.00 -0.26 0.31 0.00 -2.33 0.00 0.00 43.42 41.14 1p4q n LEU 30 CO 0.00 -0.00 0.73 -0.90 -1.33 0.00 0.00 177.39 175.89 1p4q n ASP 31 N -1.26 4.60 -2.31 -1.43 5.68 -1.24 -4.32 116.55 116.26 1p4q n ASP 31 Ca 0.15 -2.69 -0.02 0.00 -0.50 0.00 0.00 54.79 51.72 1p4q n ASP 31 Cb 0.23 -0.64 -0.00 0.00 -1.14 0.00 0.00 41.12 39.57 1p4q n ASP 31 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1p4q n ARG 32 N 0.51 0.18 -2.08 0.11 0.63 -1.21 -5.13 116.66 109.66 1p4q n ARG 32 Ca 0.21 -0.51 -0.42 0.00 -0.92 0.00 0.00 57.85 56.21 1p4q n ARG 32 Cb 0.96 0.02 -0.03 0.00 0.45 0.00 0.00 32.46 33.87 1p4q n ARG 32 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1p4q s ILE 33 N 0.03 3.57 0.08 5.15 1.01 -1.23 -4.92 121.20 124.89 1p4q s ILE 33 Ca 0.03 0.84 -0.22 0.00 0.00 0.00 0.00 60.65 61.29 1p4q s ILE 33 Cb 0.06 -3.54 -0.14 0.00 0.01 0.00 0.00 42.46 38.85 1p4q s ILE 33 CO -0.01 -0.04 1.67 0.11 0.00 0.00 0.00 174.94 176.67 1p4q h LYS 34 N 8.74 0.07 -3.16 2.79 1.57 -1.99 -3.43 116.57 121.16 1p4q h LYS 34 Ca -0.38 -0.01 -0.29 0.00 -1.87 0.00 0.00 60.65 58.10 1p4q h LYS 34 Cb 1.18 -0.01 -0.35 0.00 0.08 0.00 0.00 32.23 33.12 1p4q h LYS 34 CO 0.94 0.13 -0.64 -2.00 -0.57 0.00 0.00 179.45 177.31 1p4q s GLU 35 N -5.87 0.03 -0.36 3.15 2.12 -1.26 -5.12 118.70 111.39 1p4q s GLU 35 Ca -0.13 0.49 -0.29 0.00 0.36 0.00 0.00 54.97 55.39 1p4q s GLU 35 Cb 0.06 -0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.19 1p4q s GLU 35 CO 0.67 -0.27 1.20 -1.17 -0.54 0.00 0.00 175.26 175.15 1p4q s LEU 36 N 1.97 3.81 0.94 2.70 2.96 -1.26 -5.02 118.68 124.78 1p4q s LEU 36 Ca -0.00 0.95 -0.12 0.00 -0.22 0.00 0.00 54.13 54.74 1p4q s LEU 36 Cb -0.12 -3.54 0.15 0.00 0.50 0.00 0.00 46.19 43.18 1p4q s LEU 36 CO -0.05 -1.09 1.09 -2.16 -1.32 0.00 0.00 176.35 172.81 1p4q s PRO 37 N 4.14 0.93 0.11 0.98 0.04 -1.26 -5.04 135.00 134.90 1p4q s PRO 37 Ca 0.51 0.85 -0.10 0.00 0.04 0.00 0.00 61.00 62.31 1p4q s PRO 37 Cb -0.13 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 1p4q s PRO 37 CO 0.24 -2.48 0.43 -1.21 0.04 0.00 0.00 177.00 174.02 1p4q s GLU 38 N -4.86 3.78 -0.41 4.56 0.41 -1.26 -5.07 118.70 115.85 1p4q s GLU 38 Ca 0.64 0.20 0.04 0.00 -0.41 0.00 0.00 54.97 55.45 1p4q s GLU 38 Cb -0.19 -2.94 0.11 0.00 -1.78 0.00 0.00 34.13 29.33 1p4q s GLU 38 CO 0.58 0.52 0.14 -0.51 -0.49 0.00 0.00 175.26 175.49 1p4q s LEU 39 N -2.06 4.56 -0.27 1.80 2.01 -1.26 -5.05 118.68 118.41 1p4q s LEU 39 Ca 0.36 -2.50 -0.01 0.00 0.01 0.00 0.00 54.13 51.98 1p4q s LEU 39 Cb -0.14 -1.63 0.09 0.00 0.01 0.00 0.00 46.19 44.52 1p4q s LEU 39 CO 0.19 -0.32 0.07 0.26 1.01 0.00 0.00 176.35 177.56 1p4q s TRP 40 N 0.42 1.46 0.00 0.29 0.23 -1.26 -5.03 118.94 115.05 1p4q s TRP 40 Ca 0.13 -1.43 0.00 0.00 -2.03 0.00 0.00 56.10 52.78 1p4q s TRP 40 Cb -0.22 -1.45 0.00 0.00 0.03 0.00 0.00 33.47 31.83 1p4q s TRP 40 CO -0.05 -0.79 0.00 1.28 0.96 0.00 0.00 176.95 178.35 1p4q n LEU 41 N 4.92 0.00 0.00 2.99 4.77 -1.26 -4.86 117.00 123.57 1p4q n LEU 41 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1p4q n LEU 41 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1p4q n LEU 41 CO 0.12 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.79 1p4q n GLY 42 N 0.00 1.99 3.34 -0.72 0.00 -1.26 -4.91 105.19 103.63 1p4q n GLY 42 Ca 0.00 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.15 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 10.92 -1.11 -0.00 1.61 6.02 -1.26 -4.95 117.38 128.60 1p4q n GLN 43 Ca 0.00 -0.30 0.07 0.00 -0.01 0.00 0.00 57.00 56.77 1p4q n GLN 43 Cb 0.00 -1.77 -0.10 0.00 1.02 0.00 0.00 30.24 29.39 1p4q n GLN 43 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1p4q n ASN 44 N -1.62 1.16 0.00 1.08 3.02 -1.26 -4.35 115.26 113.29 1p4q n ASN 44 Ca 0.03 -0.39 0.14 0.00 -0.03 0.00 0.00 54.58 54.33 1p4q n ASN 44 Cb 0.59 1.37 0.75 0.00 -0.61 0.00 0.00 39.78 41.87 1p4q n ASN 44 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1p4q n GLU 45 N -1.71 0.55 -0.39 3.52 2.13 -1.26 -2.95 120.64 120.54 1p4q n GLU 45 Ca -0.00 0.02 0.07 0.00 0.66 0.00 0.00 57.16 57.91 1p4q n GLU 45 Cb 0.31 -1.50 0.13 0.00 0.27 0.00 0.00 31.44 30.66 1p4q n GLU 45 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1p4q n PHE 46 N -1.20 0.00 0.11 4.31 3.72 -1.26 -4.76 117.46 118.38 1p4q n PHE 46 Ca 0.16 -0.98 0.07 0.00 -0.05 0.00 0.00 57.45 56.66 1p4q n PHE 46 Cb 0.18 -0.17 0.39 0.00 -0.94 0.00 0.00 39.48 38.95 1p4q n PHE 46 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1p4q n ASP 47 N -1.01 0.37 0.00 4.37 5.68 -1.15 -2.05 116.55 122.76 1p4q n ASP 47 Ca 0.14 0.67 0.02 0.00 -0.50 0.00 0.00 54.79 55.12 1p4q n ASP 47 Cb 0.70 -0.71 0.11 0.00 -1.14 0.00 0.00 41.12 40.08 1p4q n ASP 47 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 1p4q n PHE 48 N -2.00 0.00 1.99 2.11 3.01 -1.26 -2.04 117.46 119.28 1p4q n PHE 48 Ca -0.01 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.48 1p4q n PHE 48 Cb 0.04 -0.39 0.20 0.00 -0.01 0.00 0.00 39.48 39.32 1p4q n PHE 48 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1p4q n MET 49 N -1.39 1.00 0.00 -1.08 2.81 -0.87 -4.24 117.12 113.35 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 0.05 -1.11 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 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 -0.61 0.00 -1.10 2.03 -2.24 -0.86 -4.99 114.28 106.51 1p4q n THR 50 Ca 0.05 0.07 -0.03 0.00 -2.27 0.00 0.00 64.05 61.86 1p4q n THR 50 Cb 0.02 -0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 67.26 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 -2.19 -5.35 0.00 3.42 -0.08 -1.26 -5.22 116.55 105.87 1p4q n ASP 51 Ca 0.00 0.08 0.09 0.00 -1.51 0.00 0.00 54.79 53.46 1p4q n ASP 51 Cb 0.00 -3.15 0.55 0.00 2.34 0.00 0.00 41.12 40.85 1p4q n ASP 51 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65