#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 -1.32 -4.00 1.61 3.41 -1.26 -5.14 113.62 106.92 1p4q n SER 2 Ca 0.00 -2.74 -0.30 0.00 -0.26 0.00 0.00 58.87 55.57 1p4q n SER 2 Cb 0.00 0.31 0.24 0.00 -0.26 0.00 0.00 64.21 64.49 1p4q n SER 2 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1p4q s GLY 3 N -0.46 1.54 -0.30 5.00 0.00 -1.26 -5.08 107.32 106.77 1p4q s GLY 3 Ca 0.33 -0.73 -0.18 0.00 0.00 0.00 0.00 44.72 44.14 1p4q s GLY 3 CO -0.15 0.11 1.25 -1.35 0.00 0.00 0.00 173.10 172.96 1p4q s SER 4 N -3.52 -0.14 -0.20 1.64 1.04 -1.26 -5.07 113.70 106.19 1p4q s SER 4 Ca 0.69 0.23 0.06 0.00 0.48 0.00 0.00 55.95 57.41 1p4q s SER 4 Cb -0.14 0.84 -0.16 0.00 0.10 0.00 0.00 66.02 66.66 1p4q s SER 4 CO 0.58 -0.04 -0.11 0.61 0.98 0.00 0.00 173.24 175.25 1p4q n GLY 5 N 2.80 -0.45 3.36 7.32 0.00 -1.26 -5.04 105.19 111.92 1p4q n GLY 5 Ca -0.16 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.54 1p4q n GLY 5 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p4q s SER 6 N -5.74 -0.42 0.00 1.61 1.04 -1.26 -5.14 113.70 103.79 1p4q s SER 6 Ca -0.22 0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.74 1p4q s SER 6 Cb 0.07 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1p4q s SER 6 CO 0.54 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1p4q n GLY 7 N 1.64 0.01 3.19 7.32 0.00 -1.26 -5.08 105.19 111.00 1p4q n GLY 7 Ca -0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.84 1p4q n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1p4q s SER 8 N -1.00 -1.48 -1.10 1.61 0.15 -1.26 -4.98 113.70 105.64 1p4q s SER 8 Ca 0.00 -0.82 -0.07 0.00 0.70 0.00 0.00 55.95 55.77 1p4q s SER 8 Cb 0.00 1.94 -0.05 0.00 -1.71 0.00 0.00 66.02 66.20 1p4q s SER 8 CO 0.00 -0.17 0.90 0.59 1.20 0.00 0.00 173.24 175.76 1p4q n ASN 9 N 4.39 -5.38 0.04 5.45 4.13 -1.26 -4.91 115.26 117.72 1p4q n ASN 9 Ca 0.11 -0.74 -0.11 0.00 1.68 0.00 0.00 54.58 55.52 1p4q n ASN 9 Cb 0.57 -4.90 -0.04 0.00 -1.54 0.00 0.00 39.78 33.87 1p4q n ASN 9 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 1p4q h VAL 10 N -1.37 0.60 -2.79 2.41 3.04 -2.01 -3.49 116.25 112.65 1p4q h VAL 10 Ca -0.61 0.00 0.15 0.00 -1.01 0.00 0.00 66.70 65.23 1p4q h VAL 10 Cb 1.32 0.60 -0.08 0.00 -2.01 0.00 0.00 31.29 31.12 1p4q h VAL 10 CO 0.46 0.00 -0.76 0.00 -1.01 0.00 0.00 177.57 176.27 1p4q n ILE 11 N -5.30 -1.00 -1.52 3.17 3.06 -1.26 -4.55 119.36 111.96 1p4q n ILE 11 Ca -0.05 0.71 -0.35 0.00 -2.50 0.00 0.00 62.75 60.57 1p4q n ILE 11 Cb 0.21 -1.12 0.05 0.00 0.54 0.00 0.00 39.64 39.33 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 -3.42 7.46 -0.15 9.51 9.92 -1.26 -4.25 116.55 134.37 1p4q n ASP 12 Ca -0.04 -3.71 0.04 0.00 -0.53 0.00 0.00 54.79 50.55 1p4q n ASP 12 Cb 0.40 -1.04 0.05 0.00 -0.64 0.00 0.00 41.12 39.89 1p4q n ASP 12 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1p4q n THR 13 N -0.55 0.96 1.42 -3.53 5.66 -1.26 -4.70 114.28 112.28 1p4q n THR 13 Ca 0.56 -1.11 0.15 0.00 -3.05 0.00 0.00 64.05 60.60 1p4q n THR 13 Cb 0.49 0.29 0.69 0.00 -1.55 0.00 0.00 70.33 70.25 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 -0.67 0.20 -0.01 1.09 8.00 -1.26 -3.15 116.55 120.76 1p4q n ASP 14 Ca 0.06 -0.34 0.07 0.00 0.71 0.00 0.00 54.79 55.29 1p4q n ASP 14 Cb 0.54 -0.18 -0.10 0.00 -0.02 0.00 0.00 41.12 41.36 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 -1.15 0.00 -1.78 1.24 1.16 -1.26 -5.01 117.46 110.66 1p4q n PHE 15 Ca 0.14 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.40 1p4q n PHE 15 Cb 0.26 -0.28 0.04 0.00 -1.61 0.00 0.00 39.48 37.89 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 -2.86 3.43 -0.17 1.97 2.07 -1.19 -5.03 121.20 119.42 1p4q s ILE 16 Ca -0.04 0.64 -0.09 0.00 -1.41 0.00 0.00 60.65 59.75 1p4q s ILE 16 Cb 0.08 -3.17 -0.05 0.00 0.13 0.00 0.00 42.46 39.46 1p4q s ILE 16 CO 0.54 -0.43 0.12 -0.62 -1.91 0.00 0.00 174.94 172.64 1p4q s ASP 17 N -2.75 6.19 0.05 4.50 -1.08 -1.26 -4.97 116.67 117.35 1p4q s ASP 17 Ca 0.65 0.29 0.11 0.00 -0.52 0.00 0.00 52.55 53.08 1p4q s ASP 17 Cb -0.19 -2.06 0.47 0.00 -1.46 0.00 0.00 42.92 39.69 1p4q s ASP 17 CO 0.42 0.26 1.34 -1.84 0.52 0.00 0.00 175.17 175.87 1p4q n GLU 18 N 2.99 0.03 0.02 4.34 0.28 -1.26 -1.98 120.64 125.05 1p4q n GLU 18 Ca -0.17 0.38 -0.15 0.00 -0.16 0.00 0.00 57.16 57.06 1p4q n GLU 18 Cb 0.53 -1.57 -0.14 0.00 1.43 0.00 0.00 31.44 31.69 1p4q n GLU 18 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 177.13 178.02 1p4q h GLU 19 N 0.00 0.15 0.81 3.44 4.11 -1.99 -3.18 114.58 117.92 1p4q h GLU 19 Ca 0.00 -0.26 -0.04 0.00 0.07 0.00 0.00 59.36 59.13 1p4q h GLU 19 Cb 0.15 0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1p4q h GLU 19 CO 0.00 0.91 -0.39 0.28 0.07 0.00 0.00 179.01 179.88 1p4q h VAL 20 N 0.04 0.08 -0.00 -1.06 2.07 -1.81 -2.66 116.25 112.90 1p4q h VAL 20 Ca -0.30 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1p4q h VAL 20 Cb 2.01 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1p4q h VAL 20 CO 0.11 0.01 0.00 0.17 0.02 0.00 0.00 177.57 177.88 1p4q h LEU 21 N -1.23 0.00 0.08 2.57 8.10 -1.74 -2.03 115.31 121.06 1p4q h LEU 21 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.88 1p4q h LEU 21 Cb 0.84 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.05 1p4q h LEU 21 CO 0.18 0.00 -0.07 -0.03 -4.11 0.00 0.00 178.44 174.41 1p4q h MET 22 N 0.00 -0.16 -0.45 0.17 4.05 -1.46 0.39 114.93 117.46 1p4q h MET 22 Ca 0.00 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1p4q h MET 22 Cb 0.00 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1p4q h MET 22 CO -0.00 -0.11 0.21 1.03 0.23 0.00 0.00 176.91 178.27 1p4q h SER 23 N -0.17 0.57 0.73 1.39 0.87 -1.05 -0.97 113.55 114.93 1p4q h SER 23 Ca 0.00 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.43 1p4q h SER 23 Cb 0.16 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1p4q h SER 23 CO -0.02 0.49 -0.41 -0.07 -0.53 0.00 0.00 176.83 176.29 1p4q h LEU 24 N 0.64 0.00 -0.28 2.23 3.38 -1.05 -1.78 115.31 118.45 1p4q h LEU 24 Ca 0.16 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1p4q h LEU 24 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1p4q h LEU 24 CO -0.02 0.41 -0.16 0.58 0.09 0.00 0.00 178.44 179.34 1p4q h VAL 25 N 0.00 1.30 -0.10 1.22 2.07 0.11 -2.26 116.25 118.59 1p4q h VAL 25 Ca -0.00 -1.27 -0.18 0.00 0.82 0.00 0.00 66.70 66.06 1p4q h VAL 25 Cb 0.89 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1p4q h VAL 25 CO 0.05 0.40 -0.70 0.40 0.02 0.00 0.00 177.57 177.74 1p4q h ILE 26 N 0.34 1.36 -0.77 4.57 5.03 -1.39 0.79 117.51 127.44 1p4q h ILE 26 Ca 0.06 -2.07 -0.03 0.00 -0.12 0.00 0.00 64.86 62.71 1p4q h ILE 26 Cb 0.69 2.04 -0.04 0.00 -3.03 0.00 0.00 36.82 36.48 1p4q h ILE 26 CO 0.05 0.63 0.37 -0.08 -0.68 0.00 0.00 178.15 178.43 1p4q h GLU 27 N 0.32 1.11 0.14 2.37 4.57 -1.28 -3.20 114.58 118.61 1p4q h GLU 27 Ca -0.03 -0.16 -0.34 0.00 -1.18 0.00 0.00 59.36 57.65 1p4q h GLU 27 Cb 1.28 -0.20 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 1p4q h GLU 27 CO 0.12 0.86 -1.77 1.98 -1.18 0.00 0.00 179.01 179.03 1p4q h MET 28 N 1.09 0.31 0.00 1.92 4.05 -1.41 -3.49 114.93 117.39 1p4q h MET 28 Ca 0.26 -0.52 0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1p4q h MET 28 Cb 0.12 0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 1p4q h MET 28 CO -0.03 1.25 0.00 0.41 0.23 0.00 0.00 176.91 178.77 1p4q n GLY 29 N 1.88 1.07 0.17 1.39 0.00 0.62 -5.03 105.19 105.28 1p4q n GLY 29 Ca -0.28 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.86 1p4q n GLY 29 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1p4q h LEU 30 N 0.00 0.00 -1.78 0.99 3.38 0.13 -3.26 115.31 114.77 1p4q h LEU 30 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p4q h LEU 30 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1p4q h LEU 30 CO 0.00 0.02 0.00 -0.90 0.09 0.00 0.00 178.44 177.65 1p4q n ASP 31 N -2.92 2.70 -2.08 -0.43 5.75 -1.24 -4.18 116.55 114.14 1p4q n ASP 31 Ca 0.02 -1.87 -0.10 0.00 -0.01 0.00 0.00 54.79 52.83 1p4q n ASP 31 Cb 0.55 -0.14 0.05 0.00 -1.03 0.00 0.00 41.12 40.55 1p4q n ASP 31 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1p4q n ARG 32 N 1.02 2.44 -3.26 0.11 1.85 -1.23 -5.06 116.66 112.53 1p4q n ARG 32 Ca 0.17 -3.66 -0.38 0.00 -1.00 0.00 0.00 57.85 52.98 1p4q n ARG 32 Cb 0.50 -1.78 -0.06 0.00 -1.05 0.00 0.00 32.46 30.07 1p4q n ARG 32 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1p4q s ILE 33 N -3.78 5.03 -0.22 8.89 1.01 -1.26 -4.97 121.20 125.91 1p4q s ILE 33 Ca 0.40 1.12 0.13 0.00 0.00 0.00 0.00 60.65 62.29 1p4q s ILE 33 Cb 0.37 -3.88 -0.23 0.00 0.01 0.00 0.00 42.46 38.74 1p4q s ILE 33 CO -0.02 0.39 -0.01 1.17 0.00 0.00 0.00 174.94 176.47 1p4q n LYS 34 N 3.06 0.68 -3.83 2.79 4.81 -1.26 -4.89 118.16 119.51 1p4q n LYS 34 Ca -0.07 0.04 -0.28 0.00 -0.87 0.00 0.00 58.31 57.13 1p4q n LYS 34 Cb 0.51 -1.52 -0.16 0.00 0.02 0.00 0.00 35.03 33.88 1p4q n LYS 34 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 1p4q s GLU 35 N -2.50 1.13 -0.51 1.64 2.12 -1.26 -5.10 118.70 114.22 1p4q s GLU 35 Ca -0.18 -0.52 -0.28 0.00 0.36 0.00 0.00 54.97 54.35 1p4q s GLU 35 Cb 0.07 -2.07 0.03 0.00 0.26 0.00 0.00 34.13 32.42 1p4q s GLU 35 CO 0.76 -0.53 1.14 -1.17 -0.54 0.00 0.00 175.26 174.92 1p4q s LEU 36 N 1.70 3.61 1.06 2.70 2.96 -1.26 -5.02 118.68 124.43 1p4q s LEU 36 Ca -0.01 0.33 -0.12 0.00 -0.22 0.00 0.00 54.13 54.11 1p4q s LEU 36 Cb -0.16 -3.41 0.20 0.00 0.50 0.00 0.00 46.19 43.32 1p4q s LEU 36 CO -0.07 -1.31 0.92 -0.81 -1.32 0.00 0.00 176.35 173.76 1p4q n PRO 37 N 7.97 -1.52 -3.23 0.98 -0.04 -1.26 -4.99 135.00 132.91 1p4q n PRO 37 Ca 0.10 -0.40 -0.37 0.00 -0.04 0.00 0.00 63.50 62.79 1p4q n PRO 37 Cb 0.49 -2.18 -0.06 0.00 -0.04 0.00 0.00 33.50 31.71 1p4q n PRO 37 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1p4q s GLU 38 N -4.33 4.18 -0.42 0.54 2.02 -1.26 -5.06 118.70 114.37 1p4q s GLU 38 Ca 0.66 0.74 0.04 0.00 0.02 0.00 0.00 54.97 56.42 1p4q s GLU 38 Cb -0.23 -3.06 0.11 0.00 0.10 0.00 0.00 34.13 31.06 1p4q s GLU 38 CO 0.63 0.52 0.14 -0.51 0.02 0.00 0.00 175.26 176.06 1p4q s LEU 39 N -1.59 4.60 0.02 1.80 2.01 -1.26 -5.08 118.68 119.18 1p4q s LEU 39 Ca 0.36 -2.51 0.03 0.00 0.01 0.00 0.00 54.13 52.01 1p4q s LEU 39 Cb -0.18 -1.64 -0.01 0.00 0.01 0.00 0.00 46.19 44.37 1p4q s LEU 39 CO 0.20 -0.32 -0.10 0.26 1.01 0.00 0.00 176.35 177.40 1p4q s TRP 40 N 0.41 0.85 -0.70 0.29 0.23 -1.26 -5.04 118.94 113.73 1p4q s TRP 40 Ca 0.13 -0.28 -0.06 0.00 -2.03 0.00 0.00 56.10 53.86 1p4q s TRP 40 Cb -0.22 -0.52 -0.24 0.00 0.03 0.00 0.00 33.47 32.52 1p4q s TRP 40 CO -0.05 -0.01 1.58 1.28 0.96 0.00 0.00 176.95 180.71 1p4q n LEU 41 N 2.27 -1.18 0.00 2.99 4.77 -1.26 -4.70 117.00 119.88 1p4q n LEU 41 Ca -0.17 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.32 1p4q n LEU 41 Cb 0.56 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1p4q n LEU 41 CO 0.23 -1.12 0.00 0.61 -1.33 0.00 0.00 177.39 175.78 1p4q n GLY 42 N 4.17 -0.21 3.34 -0.72 0.00 -1.26 -5.02 105.19 105.49 1p4q n GLY 42 Ca 0.48 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.59 -2.34 -0.00 1.61 7.27 -1.26 -4.96 117.38 116.11 1p4q n GLN 43 Ca 0.00 -0.66 0.07 0.00 0.07 0.00 0.00 57.00 56.47 1p4q n GLN 43 Cb 0.00 -1.90 -0.10 0.00 2.41 0.00 0.00 30.24 30.64 1p4q n GLN 43 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1p4q n ASN 44 N -3.43 1.46 -0.16 1.69 3.02 -1.26 -4.37 115.26 112.21 1p4q n ASN 44 Ca 0.02 -0.22 0.15 0.00 -0.03 0.00 0.00 54.58 54.49 1p4q n ASN 44 Cb 0.58 1.47 0.71 0.00 -0.61 0.00 0.00 39.78 41.93 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 -1.81 1.02 -0.15 3.52 2.13 -1.26 -3.44 120.64 120.65 1p4q n GLU 45 Ca -0.01 -0.32 0.06 0.00 0.66 0.00 0.00 57.16 57.55 1p4q n GLU 45 Cb 0.33 -1.49 0.09 0.00 0.27 0.00 0.00 31.44 30.63 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 -0.71 0.00 0.10 4.31 3.01 -1.26 -4.75 117.46 118.17 1p4q n PHE 46 Ca 0.19 -0.70 0.02 0.00 1.01 0.00 0.00 57.45 57.97 1p4q n PHE 46 Cb 0.24 -0.11 0.09 0.00 -0.01 0.00 0.00 39.48 39.69 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 -0.99 0.04 0.01 4.37 2.03 -1.22 -2.19 116.55 118.60 1p4q n ASP 47 Ca 0.10 0.52 0.04 0.00 0.52 0.00 0.00 54.79 55.96 1p4q n ASP 47 Cb 0.60 -0.52 0.16 0.00 -0.72 0.00 0.00 41.12 40.64 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 -1.55 0.07 1.40 -0.67 3.01 -1.26 -1.92 117.46 116.54 1p4q n PHE 48 Ca 0.01 0.03 0.02 0.00 1.01 0.00 0.00 57.45 58.52 1p4q n PHE 48 Cb 0.03 -0.55 0.06 0.00 -0.01 0.00 0.00 39.48 39.01 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 -1.57 1.38 0.32 -1.08 2.81 -0.93 -4.18 117.12 113.87 1p4q n MET 49 Ca 0.01 -0.49 -0.13 0.00 -1.81 0.00 0.00 57.70 55.28 1p4q n MET 49 Cb 0.07 -1.21 -0.06 0.00 -0.71 0.00 0.00 33.22 31.31 1p4q n MET 49 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1p4q h THR 50 N 0.75 0.00 -0.10 2.03 1.35 -1.66 -3.46 112.91 111.82 1p4q h THR 50 Ca 0.00 -0.21 -0.04 0.00 -0.55 0.00 0.00 66.41 65.61 1p4q h THR 50 Cb 0.29 0.00 -0.02 0.00 -1.73 0.00 0.00 68.15 66.69 1p4q h THR 50 CO 0.02 0.00 -0.04 -0.67 -0.25 0.00 0.00 175.52 174.58 1p4q n ASP 51 N -4.86 -5.06 0.00 5.36 -0.08 -1.26 -5.22 116.55 105.43 1p4q n ASP 51 Ca -0.11 0.05 0.06 0.00 -1.51 0.00 0.00 54.79 53.29 1p4q n ASP 51 Cb 0.33 -2.75 0.37 0.00 2.34 0.00 0.00 41.12 41.42 1p4q n ASP 51 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65